USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 922 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 18 SER OG : rot 61:sc= -2.24! USER MOD Set 1.2: A 20 LYS NZ :NH3+ -177:sc= 0.387 (180deg=0.383) USER MOD Single : A 9 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.22) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.0294 K(o=0.029,f=-3.1!) USER MOD Single : A 30 ASN : amide:sc= -0.108 K(o=-0.11,f=-1) USER MOD Single : A 31 MET CE :methyl -110:sc= -2.8 (180deg=-8.2!) USER MOD Single : A 34 TYR OH : rot -29:sc=-0.00521 USER MOD Single : A 36 GLN : amide:sc= -0.323 K(o=-0.32,f=-2.8!) USER MOD Single : A 38 THR OG1 : rot 82:sc= 0.13 USER MOD Single : A 39 CYS SG : rot 180:sc= -3.75! USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.95 K(o=0.95,f=-5.6!) USER MOD Single : A 44 GLN : amide:sc= 1.27 K(o=1.3,f=-0.52) USER MOD Single : A 45 LYS NZ :NH3+ -105:sc= -0.285 (180deg=-1.26) USER MOD Single : A 46 SER OG : rot -90:sc= -0.545 USER MOD Single : A 47 ASN : amide:sc= -0.0216 X(o=-0.022,f=0) USER MOD Single : A 52 MET CE :methyl -156:sc= -0.0544 (180deg=-0.265) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.97 K(o=-2,f=-0.6) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -54:sc= 0.644 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00257 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 149:sc= -0.0417 (180deg=-0.621) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 27:sc= 0.38 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.344! C(o=-0.34!,f=-6.3!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -137:sc= 0.691 (180deg=-0.837) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -9.144 20.001 -1.917 1.00 0.00 N ATOM 60 CA GLY A 7 -7.845 19.367 -1.766 1.00 0.00 C ATOM 61 C GLY A 7 -6.957 19.641 -2.982 1.00 0.00 C ATOM 62 O GLY A 7 -7.384 20.296 -3.931 1.00 0.00 O ATOM 0 HA2 GLY A 7 -7.358 19.738 -0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.973 18.292 -1.640 1.00 0.00 H new ATOM 66 N PRO A 8 -5.707 19.111 -2.911 1.00 0.00 N ATOM 67 CA PRO A 8 -4.756 19.291 -3.995 1.00 0.00 C ATOM 68 C PRO A 8 -5.105 18.396 -5.186 1.00 0.00 C ATOM 69 O PRO A 8 -6.217 17.878 -5.272 1.00 0.00 O ATOM 70 CB PRO A 8 -3.401 18.967 -3.386 1.00 0.00 C ATOM 71 CG PRO A 8 -3.690 18.173 -2.123 1.00 0.00 C ATOM 72 CD PRO A 8 -5.168 18.329 -1.803 1.00 0.00 C ATOM 0 HA PRO A 8 -4.766 20.303 -4.399 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.790 18.389 -4.079 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.848 19.878 -3.157 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.439 17.122 -2.267 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.080 18.536 -1.296 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.661 17.360 -1.726 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.315 18.838 -0.851 1.00 0.00 H new ATOM 80 N HIS A 9 -4.135 18.243 -6.074 1.00 0.00 N ATOM 81 CA HIS A 9 -4.326 17.420 -7.257 1.00 0.00 C ATOM 82 C HIS A 9 -3.000 17.287 -8.009 1.00 0.00 C ATOM 83 O HIS A 9 -2.205 18.224 -8.044 1.00 0.00 O ATOM 84 CB HIS A 9 -5.450 17.978 -8.131 1.00 0.00 C ATOM 85 CG HIS A 9 -5.528 19.486 -8.143 1.00 0.00 C ATOM 86 ND1 HIS A 9 -6.591 20.186 -7.601 1.00 0.00 N ATOM 87 CD2 HIS A 9 -4.663 20.419 -8.637 1.00 0.00 C ATOM 88 CE1 HIS A 9 -6.367 21.482 -7.767 1.00 0.00 C ATOM 89 NE2 HIS A 9 -5.172 21.623 -8.410 1.00 0.00 N ATOM 0 H HIS A 9 -3.214 18.675 -5.999 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.638 16.418 -6.961 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.312 17.623 -9.152 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.401 17.578 -7.781 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.724 20.212 -9.129 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -7.016 22.285 -7.449 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -4.741 22.509 -8.673 1.00 0.00 H new ATOM 97 N GLY A 10 -2.803 16.114 -8.593 1.00 0.00 N ATOM 98 CA GLY A 10 -1.588 15.846 -9.343 1.00 0.00 C ATOM 99 C GLY A 10 -1.300 14.344 -9.402 1.00 0.00 C ATOM 100 O GLY A 10 -2.217 13.539 -9.556 1.00 0.00 O ATOM 0 H GLY A 10 -3.465 15.338 -8.562 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.686 16.241 -10.354 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.748 16.363 -8.879 1.00 0.00 H new ATOM 104 N THR A 11 -0.023 14.013 -9.278 1.00 0.00 N ATOM 105 CA THR A 11 0.397 12.623 -9.316 1.00 0.00 C ATOM 106 C THR A 11 0.806 12.151 -7.919 1.00 0.00 C ATOM 107 O THR A 11 1.266 12.947 -7.101 1.00 0.00 O ATOM 108 CB THR A 11 1.515 12.495 -10.352 1.00 0.00 C ATOM 109 OG1 THR A 11 0.897 12.877 -11.578 1.00 0.00 O ATOM 110 CG2 THR A 11 1.935 11.042 -10.583 1.00 0.00 C ATOM 0 H THR A 11 0.735 14.684 -9.151 1.00 0.00 H new ATOM 0 HA THR A 11 -0.422 11.971 -9.618 1.00 0.00 H new ATOM 0 HB THR A 11 2.379 13.075 -10.028 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.552 12.825 -12.305 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.731 11.007 -11.327 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.294 10.614 -9.647 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.080 10.468 -10.940 1.00 0.00 H new ATOM 118 N LEU A 12 0.623 10.859 -7.688 1.00 0.00 N ATOM 119 CA LEU A 12 0.968 10.272 -6.405 1.00 0.00 C ATOM 120 C LEU A 12 1.914 9.091 -6.626 1.00 0.00 C ATOM 121 O LEU A 12 1.777 8.357 -7.604 1.00 0.00 O ATOM 122 CB LEU A 12 -0.298 9.909 -5.625 1.00 0.00 C ATOM 123 CG LEU A 12 -0.094 9.036 -4.385 1.00 0.00 C ATOM 124 CD1 LEU A 12 -0.112 9.881 -3.110 1.00 0.00 C ATOM 125 CD2 LEU A 12 -1.123 7.904 -4.337 1.00 0.00 C ATOM 0 H LEU A 12 0.240 10.202 -8.368 1.00 0.00 H new ATOM 0 HA LEU A 12 1.500 10.995 -5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.789 10.832 -5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.981 9.393 -6.300 1.00 0.00 H new ATOM 0 HG LEU A 12 0.891 8.574 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.035 9.236 -2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.688 10.620 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.072 10.390 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.956 7.298 -3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.127 8.326 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.019 7.280 -5.225 1.00 0.00 H new ATOM 137 N GLU A 13 2.852 8.943 -5.703 1.00 0.00 N ATOM 138 CA GLU A 13 3.820 7.863 -5.785 1.00 0.00 C ATOM 139 C GLU A 13 3.569 6.840 -4.676 1.00 0.00 C ATOM 140 O GLU A 13 3.150 7.200 -3.577 1.00 0.00 O ATOM 141 CB GLU A 13 5.250 8.403 -5.719 1.00 0.00 C ATOM 142 CG GLU A 13 6.167 7.645 -6.682 1.00 0.00 C ATOM 143 CD GLU A 13 7.612 7.646 -6.178 1.00 0.00 C ATOM 144 OE1 GLU A 13 7.781 7.604 -4.940 1.00 0.00 O ATOM 145 OE2 GLU A 13 8.514 7.690 -7.042 1.00 0.00 O ATOM 0 H GLU A 13 2.962 9.554 -4.894 1.00 0.00 H new ATOM 0 HA GLU A 13 3.699 7.364 -6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.254 9.464 -5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.630 8.312 -4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.817 6.619 -6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.122 8.104 -7.670 1.00 0.00 H new ATOM 152 N VAL A 14 3.836 5.584 -5.002 1.00 0.00 N ATOM 153 CA VAL A 14 3.644 4.505 -4.048 1.00 0.00 C ATOM 154 C VAL A 14 4.845 3.558 -4.106 1.00 0.00 C ATOM 155 O VAL A 14 4.992 2.796 -5.060 1.00 0.00 O ATOM 156 CB VAL A 14 2.313 3.800 -4.315 1.00 0.00 C ATOM 157 CG1 VAL A 14 2.063 2.694 -3.288 1.00 0.00 C ATOM 158 CG2 VAL A 14 1.157 4.801 -4.336 1.00 0.00 C ATOM 0 H VAL A 14 4.184 5.289 -5.914 1.00 0.00 H new ATOM 0 HA VAL A 14 3.589 4.899 -3.033 1.00 0.00 H new ATOM 0 HB VAL A 14 2.371 3.336 -5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.110 2.209 -3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.865 1.958 -3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.035 3.126 -2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.223 4.274 -4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.097 5.308 -3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.327 5.536 -5.123 1.00 0.00 H new ATOM 168 N VAL A 15 5.672 3.639 -3.075 1.00 0.00 N ATOM 169 CA VAL A 15 6.855 2.798 -2.997 1.00 0.00 C ATOM 170 C VAL A 15 6.596 1.650 -2.019 1.00 0.00 C ATOM 171 O VAL A 15 6.621 1.846 -0.805 1.00 0.00 O ATOM 172 CB VAL A 15 8.073 3.643 -2.618 1.00 0.00 C ATOM 173 CG1 VAL A 15 9.357 2.812 -2.677 1.00 0.00 C ATOM 174 CG2 VAL A 15 8.180 4.882 -3.509 1.00 0.00 C ATOM 0 H VAL A 15 5.547 4.274 -2.286 1.00 0.00 H new ATOM 0 HA VAL A 15 7.073 2.354 -3.968 1.00 0.00 H new ATOM 0 HB VAL A 15 7.940 3.981 -1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.207 3.436 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.282 1.976 -1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.498 2.431 -3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.054 5.465 -3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.279 4.574 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.283 5.491 -3.394 1.00 0.00 H new ATOM 184 N LEU A 16 6.354 0.477 -2.585 1.00 0.00 N ATOM 185 CA LEU A 16 6.091 -0.703 -1.779 1.00 0.00 C ATOM 186 C LEU A 16 7.419 -1.353 -1.385 1.00 0.00 C ATOM 187 O LEU A 16 7.948 -2.186 -2.119 1.00 0.00 O ATOM 188 CB LEU A 16 5.136 -1.649 -2.509 1.00 0.00 C ATOM 189 CG LEU A 16 5.091 -3.088 -1.991 1.00 0.00 C ATOM 190 CD1 LEU A 16 4.339 -3.168 -0.661 1.00 0.00 C ATOM 191 CD2 LEU A 16 4.500 -4.031 -3.041 1.00 0.00 C ATOM 0 H LEU A 16 6.335 0.318 -3.592 1.00 0.00 H new ATOM 0 HA LEU A 16 5.584 -0.427 -0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.130 -1.232 -2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.414 -1.672 -3.563 1.00 0.00 H new ATOM 0 HG LEU A 16 6.114 -3.416 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.321 -4.201 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.842 -2.546 0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.317 -2.814 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.480 -5.047 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.485 -3.715 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.114 -4.003 -3.941 1.00 0.00 H new ATOM 203 N VAL A 17 7.920 -0.947 -0.228 1.00 0.00 N ATOM 204 CA VAL A 17 9.177 -1.480 0.272 1.00 0.00 C ATOM 205 C VAL A 17 8.987 -2.950 0.652 1.00 0.00 C ATOM 206 O VAL A 17 9.179 -3.838 -0.177 1.00 0.00 O ATOM 207 CB VAL A 17 9.683 -0.622 1.434 1.00 0.00 C ATOM 208 CG1 VAL A 17 10.913 -1.256 2.087 1.00 0.00 C ATOM 209 CG2 VAL A 17 9.982 0.805 0.972 1.00 0.00 C ATOM 0 H VAL A 17 7.479 -0.255 0.378 1.00 0.00 H new ATOM 0 HA VAL A 17 9.944 -1.441 -0.502 1.00 0.00 H new ATOM 0 HB VAL A 17 8.893 -0.572 2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.253 -0.627 2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.654 -2.244 2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.709 -1.350 1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.340 1.393 1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.746 0.783 0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.073 1.257 0.574 1.00 0.00 H new ATOM 219 N SER A 18 8.613 -3.160 1.905 1.00 0.00 N ATOM 220 CA SER A 18 8.396 -4.507 2.405 1.00 0.00 C ATOM 221 C SER A 18 7.350 -4.489 3.521 1.00 0.00 C ATOM 222 O SER A 18 6.721 -3.461 3.771 1.00 0.00 O ATOM 223 CB SER A 18 9.701 -5.124 2.912 1.00 0.00 C ATOM 224 OG SER A 18 10.661 -4.130 3.263 1.00 0.00 O ATOM 0 H SER A 18 8.455 -2.420 2.589 1.00 0.00 H new ATOM 0 HA SER A 18 8.030 -5.122 1.582 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.493 -5.750 3.780 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.117 -5.774 2.143 1.00 0.00 H new ATOM 0 HG SER A 18 10.303 -3.569 3.982 1.00 0.00 H new ATOM 230 N ALA A 19 7.195 -5.638 4.163 1.00 0.00 N ATOM 231 CA ALA A 19 6.235 -5.766 5.246 1.00 0.00 C ATOM 232 C ALA A 19 6.745 -6.800 6.253 1.00 0.00 C ATOM 233 O ALA A 19 7.297 -7.829 5.866 1.00 0.00 O ATOM 234 CB ALA A 19 4.865 -6.136 4.674 1.00 0.00 C ATOM 0 H ALA A 19 7.718 -6.488 3.954 1.00 0.00 H new ATOM 0 HA ALA A 19 6.122 -4.819 5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.145 -6.232 5.487 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.535 -5.357 3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.938 -7.083 4.140 1.00 0.00 H new ATOM 240 N LYS A 20 6.542 -6.489 7.525 1.00 0.00 N ATOM 241 CA LYS A 20 6.974 -7.378 8.590 1.00 0.00 C ATOM 242 C LYS A 20 5.775 -7.733 9.471 1.00 0.00 C ATOM 243 O LYS A 20 4.871 -6.919 9.653 1.00 0.00 O ATOM 244 CB LYS A 20 8.143 -6.761 9.362 1.00 0.00 C ATOM 245 CG LYS A 20 9.427 -6.795 8.532 1.00 0.00 C ATOM 246 CD LYS A 20 10.053 -5.402 8.434 1.00 0.00 C ATOM 247 CE LYS A 20 10.652 -5.167 7.045 1.00 0.00 C ATOM 248 NZ LYS A 20 10.950 -3.731 6.847 1.00 0.00 N ATOM 0 H LYS A 20 6.084 -5.634 7.842 1.00 0.00 H new ATOM 0 HA LYS A 20 7.353 -8.312 8.176 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.905 -5.731 9.628 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.294 -7.304 10.295 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.138 -7.486 8.984 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.208 -7.171 7.532 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.297 -4.644 8.641 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.829 -5.294 9.192 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.564 -5.753 6.932 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.956 -5.509 6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.308 -3.581 5.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.083 -3.174 6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.669 -3.428 7.534 1.00 0.00 H new ATOM 262 N GLY A 21 5.804 -8.950 9.994 1.00 0.00 N ATOM 263 CA GLY A 21 4.730 -9.423 10.851 1.00 0.00 C ATOM 264 C GLY A 21 5.126 -9.332 12.326 1.00 0.00 C ATOM 265 O GLY A 21 6.212 -8.855 12.653 1.00 0.00 O ATOM 0 H GLY A 21 6.555 -9.623 9.841 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.832 -8.831 10.675 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.486 -10.455 10.599 1.00 0.00 H new ATOM 269 N LEU A 22 4.223 -9.796 13.177 1.00 0.00 N ATOM 270 CA LEU A 22 4.464 -9.773 14.610 1.00 0.00 C ATOM 271 C LEU A 22 5.469 -10.868 14.972 1.00 0.00 C ATOM 272 O LEU A 22 6.088 -11.462 14.091 1.00 0.00 O ATOM 273 CB LEU A 22 3.143 -9.873 15.377 1.00 0.00 C ATOM 274 CG LEU A 22 2.196 -8.679 15.239 1.00 0.00 C ATOM 275 CD1 LEU A 22 2.866 -7.389 15.718 1.00 0.00 C ATOM 276 CD2 LEU A 22 1.674 -8.556 13.807 1.00 0.00 C ATOM 0 H LEU A 22 3.323 -10.190 12.902 1.00 0.00 H new ATOM 0 HA LEU A 22 4.907 -8.822 14.906 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.618 -10.768 15.043 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.369 -10.012 16.434 1.00 0.00 H new ATOM 0 HG LEU A 22 1.333 -8.852 15.882 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.171 -6.556 15.609 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.147 -7.492 16.766 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.757 -7.198 15.120 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.003 -7.700 13.737 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.513 -8.417 13.125 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.133 -9.463 13.538 1.00 0.00 H new ATOM 288 N GLU A 23 5.600 -11.101 16.269 1.00 0.00 N ATOM 289 CA GLU A 23 6.520 -12.114 16.758 1.00 0.00 C ATOM 290 C GLU A 23 5.865 -13.496 16.706 1.00 0.00 C ATOM 291 O GLU A 23 6.509 -14.479 16.344 1.00 0.00 O ATOM 292 CB GLU A 23 6.995 -11.786 18.175 1.00 0.00 C ATOM 293 CG GLU A 23 5.863 -11.178 19.006 1.00 0.00 C ATOM 294 CD GLU A 23 6.138 -11.331 20.503 1.00 0.00 C ATOM 295 OE1 GLU A 23 7.079 -12.084 20.833 1.00 0.00 O ATOM 296 OE2 GLU A 23 5.401 -10.691 21.284 1.00 0.00 O ATOM 0 H GLU A 23 5.085 -10.606 16.997 1.00 0.00 H new ATOM 0 HA GLU A 23 7.396 -12.124 16.110 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.360 -12.692 18.659 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.832 -11.089 18.130 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.753 -10.122 18.759 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.921 -11.664 18.754 1.00 0.00 H new ATOM 303 N ASP A 24 4.592 -13.526 17.073 1.00 0.00 N ATOM 304 CA ASP A 24 3.842 -14.771 17.072 1.00 0.00 C ATOM 305 C ASP A 24 2.716 -14.682 16.040 1.00 0.00 C ATOM 306 O ASP A 24 1.541 -14.775 16.390 1.00 0.00 O ATOM 307 CB ASP A 24 3.210 -15.033 18.440 1.00 0.00 C ATOM 308 CG ASP A 24 2.685 -16.455 18.648 1.00 0.00 C ATOM 309 OD1 ASP A 24 1.511 -16.685 18.288 1.00 0.00 O ATOM 310 OD2 ASP A 24 3.471 -17.281 19.162 1.00 0.00 O ATOM 0 H ASP A 24 4.061 -12.708 17.373 1.00 0.00 H new ATOM 0 HA ASP A 24 4.531 -15.580 16.832 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.949 -14.818 19.212 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.387 -14.333 18.583 1.00 0.00 H new ATOM 315 N ALA A 25 3.116 -14.504 14.789 1.00 0.00 N ATOM 316 CA ALA A 25 2.155 -14.403 13.704 1.00 0.00 C ATOM 317 C ALA A 25 2.728 -15.077 12.456 1.00 0.00 C ATOM 318 O ALA A 25 3.840 -14.764 12.033 1.00 0.00 O ATOM 319 CB ALA A 25 1.808 -12.932 13.465 1.00 0.00 C ATOM 0 H ALA A 25 4.092 -14.427 14.503 1.00 0.00 H new ATOM 0 HA ALA A 25 1.230 -14.919 13.961 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.087 -12.856 12.651 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.377 -12.508 14.372 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.712 -12.383 13.201 1.00 0.00 H new ATOM 325 N ASP A 26 1.944 -15.989 11.902 1.00 0.00 N ATOM 326 CA ASP A 26 2.359 -16.710 10.711 1.00 0.00 C ATOM 327 C ASP A 26 1.904 -15.941 9.469 1.00 0.00 C ATOM 328 O ASP A 26 1.492 -16.542 8.478 1.00 0.00 O ATOM 329 CB ASP A 26 1.729 -18.103 10.662 1.00 0.00 C ATOM 330 CG ASP A 26 2.461 -19.173 11.474 1.00 0.00 C ATOM 331 OD1 ASP A 26 2.509 -19.012 12.712 1.00 0.00 O ATOM 332 OD2 ASP A 26 2.956 -20.128 10.837 1.00 0.00 O ATOM 0 H ASP A 26 1.023 -16.246 12.256 1.00 0.00 H new ATOM 0 HA ASP A 26 3.444 -16.806 10.737 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.703 -18.034 11.022 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.681 -18.427 9.622 1.00 0.00 H new ATOM 337 N PHE A 27 1.992 -14.622 9.564 1.00 0.00 N ATOM 338 CA PHE A 27 1.594 -13.764 8.460 1.00 0.00 C ATOM 339 C PHE A 27 2.725 -13.624 7.439 1.00 0.00 C ATOM 340 O PHE A 27 3.778 -13.068 7.746 1.00 0.00 O ATOM 341 CB PHE A 27 1.285 -12.388 9.053 1.00 0.00 C ATOM 342 CG PHE A 27 1.019 -11.305 8.005 1.00 0.00 C ATOM 343 CD1 PHE A 27 0.205 -11.568 6.948 1.00 0.00 C ATOM 344 CD2 PHE A 27 1.596 -10.080 8.132 1.00 0.00 C ATOM 345 CE1 PHE A 27 -0.042 -10.563 5.976 1.00 0.00 C ATOM 346 CE2 PHE A 27 1.349 -9.075 7.159 1.00 0.00 C ATOM 347 CZ PHE A 27 0.535 -9.338 6.102 1.00 0.00 C ATOM 0 H PHE A 27 2.333 -14.127 10.388 1.00 0.00 H new ATOM 0 HA PHE A 27 0.731 -14.191 7.949 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.415 -12.471 9.704 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.122 -12.077 9.678 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.253 -12.541 6.848 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.242 -9.871 8.972 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.688 -10.771 5.136 1.00 0.00 H new ATOM 0 HE2 PHE A 27 1.808 -8.102 7.259 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.347 -8.574 5.362 1.00 0.00 H new ATOM 357 N LEU A 28 2.468 -14.139 6.245 1.00 0.00 N ATOM 358 CA LEU A 28 3.451 -14.078 5.177 1.00 0.00 C ATOM 359 C LEU A 28 4.542 -15.120 5.434 1.00 0.00 C ATOM 360 O LEU A 28 5.698 -14.915 5.068 1.00 0.00 O ATOM 361 CB LEU A 28 3.985 -12.653 5.021 1.00 0.00 C ATOM 362 CG LEU A 28 2.936 -11.540 5.013 1.00 0.00 C ATOM 363 CD1 LEU A 28 3.595 -10.163 5.117 1.00 0.00 C ATOM 364 CD2 LEU A 28 2.030 -11.650 3.785 1.00 0.00 C ATOM 0 H LEU A 28 1.593 -14.600 5.994 1.00 0.00 H new ATOM 0 HA LEU A 28 2.991 -14.327 4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.686 -12.458 5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.551 -12.598 4.091 1.00 0.00 H new ATOM 0 HG LEU A 28 2.304 -11.661 5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.826 -9.390 5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.163 -10.101 6.045 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.266 -10.016 4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.293 -10.847 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.632 -11.569 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.518 -12.612 3.795 1.00 0.00 H new ATOM 376 N ASN A 29 4.135 -16.214 6.061 1.00 0.00 N ATOM 377 CA ASN A 29 5.063 -17.287 6.371 1.00 0.00 C ATOM 378 C ASN A 29 5.669 -17.823 5.072 1.00 0.00 C ATOM 379 O ASN A 29 5.875 -17.070 4.122 1.00 0.00 O ATOM 380 CB ASN A 29 4.352 -18.445 7.074 1.00 0.00 C ATOM 381 CG ASN A 29 5.289 -19.149 8.057 1.00 0.00 C ATOM 382 OD1 ASN A 29 5.880 -20.175 7.766 1.00 0.00 O ATOM 383 ND2 ASN A 29 5.390 -18.541 9.236 1.00 0.00 N ATOM 0 H ASN A 29 3.175 -16.380 6.363 1.00 0.00 H new ATOM 0 HA ASN A 29 5.835 -16.886 7.028 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.477 -18.070 7.605 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.993 -19.159 6.333 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.990 -18.932 9.962 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.867 -17.684 9.414 1.00 0.00 H new ATOM 390 N ASN A 30 5.937 -19.121 5.072 1.00 0.00 N ATOM 391 CA ASN A 30 6.514 -19.766 3.906 1.00 0.00 C ATOM 392 C ASN A 30 5.533 -19.669 2.736 1.00 0.00 C ATOM 393 O ASN A 30 4.859 -20.643 2.404 1.00 0.00 O ATOM 394 CB ASN A 30 6.785 -21.248 4.174 1.00 0.00 C ATOM 395 CG ASN A 30 7.938 -21.760 3.308 1.00 0.00 C ATOM 396 OD1 ASN A 30 8.920 -21.076 3.070 1.00 0.00 O ATOM 397 ND2 ASN A 30 7.765 -22.997 2.853 1.00 0.00 N ATOM 0 H ASN A 30 5.765 -19.743 5.862 1.00 0.00 H new ATOM 0 HA ASN A 30 7.453 -19.264 3.673 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.025 -21.393 5.227 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.886 -21.829 3.969 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.479 -23.429 2.266 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.918 -23.514 3.091 1.00 0.00 H new ATOM 404 N MET A 31 5.483 -18.485 2.144 1.00 0.00 N ATOM 405 CA MET A 31 4.595 -18.247 1.019 1.00 0.00 C ATOM 406 C MET A 31 5.134 -17.131 0.121 1.00 0.00 C ATOM 407 O MET A 31 6.200 -16.577 0.386 1.00 0.00 O ATOM 408 CB MET A 31 3.208 -17.862 1.535 1.00 0.00 C ATOM 409 CG MET A 31 3.310 -17.046 2.825 1.00 0.00 C ATOM 410 SD MET A 31 1.679 -16.611 3.404 1.00 0.00 S ATOM 411 CE MET A 31 1.290 -15.287 2.272 1.00 0.00 C ATOM 0 H MET A 31 6.043 -17.680 2.422 1.00 0.00 H new ATOM 0 HA MET A 31 4.532 -19.162 0.431 1.00 0.00 H new ATOM 0 HB2 MET A 31 2.681 -17.284 0.776 1.00 0.00 H new ATOM 0 HB3 MET A 31 2.620 -18.762 1.715 1.00 0.00 H new ATOM 0 HG2 MET A 31 3.834 -17.621 3.588 1.00 0.00 H new ATOM 0 HG3 MET A 31 3.895 -16.143 2.649 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.286 -14.339 2.809 1.00 0.00 H new ATOM 0 HE2 MET A 31 2.039 -15.253 1.481 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.307 -15.460 1.834 1.00 0.00 H new ATOM 421 N ASP A 32 4.374 -16.836 -0.923 1.00 0.00 N ATOM 422 CA ASP A 32 4.761 -15.797 -1.861 1.00 0.00 C ATOM 423 C ASP A 32 3.615 -14.795 -2.009 1.00 0.00 C ATOM 424 O ASP A 32 2.929 -14.776 -3.030 1.00 0.00 O ATOM 425 CB ASP A 32 5.057 -16.384 -3.243 1.00 0.00 C ATOM 426 CG ASP A 32 6.245 -17.346 -3.296 1.00 0.00 C ATOM 427 OD1 ASP A 32 6.848 -17.563 -2.223 1.00 0.00 O ATOM 428 OD2 ASP A 32 6.523 -17.844 -4.409 1.00 0.00 O ATOM 0 H ASP A 32 3.491 -17.299 -1.140 1.00 0.00 H new ATOM 0 HA ASP A 32 5.658 -15.313 -1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.169 -16.908 -3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.241 -15.564 -3.937 1.00 0.00 H new ATOM 433 N PRO A 33 3.437 -13.964 -0.946 1.00 0.00 N ATOM 434 CA PRO A 33 2.385 -12.962 -0.948 1.00 0.00 C ATOM 435 C PRO A 33 2.751 -11.784 -1.852 1.00 0.00 C ATOM 436 O PRO A 33 3.841 -11.749 -2.421 1.00 0.00 O ATOM 437 CB PRO A 33 2.219 -12.564 0.510 1.00 0.00 C ATOM 438 CG PRO A 33 3.492 -13.010 1.211 1.00 0.00 C ATOM 439 CD PRO A 33 4.229 -13.958 0.280 1.00 0.00 C ATOM 0 HA PRO A 33 1.446 -13.338 -1.354 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.076 -11.488 0.607 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.343 -13.043 0.948 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.116 -12.150 1.452 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.256 -13.506 2.152 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.247 -13.617 0.092 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.302 -14.957 0.709 1.00 0.00 H new ATOM 447 N TYR A 34 1.821 -10.846 -1.955 1.00 0.00 N ATOM 448 CA TYR A 34 2.032 -9.669 -2.780 1.00 0.00 C ATOM 449 C TYR A 34 1.061 -8.550 -2.398 1.00 0.00 C ATOM 450 O TYR A 34 -0.088 -8.813 -2.048 1.00 0.00 O ATOM 451 CB TYR A 34 1.748 -10.106 -4.219 1.00 0.00 C ATOM 452 CG TYR A 34 0.372 -10.747 -4.414 1.00 0.00 C ATOM 453 CD1 TYR A 34 0.211 -12.104 -4.227 1.00 0.00 C ATOM 454 CD2 TYR A 34 -0.707 -9.967 -4.778 1.00 0.00 C ATOM 455 CE1 TYR A 34 -1.084 -12.708 -4.411 1.00 0.00 C ATOM 456 CE2 TYR A 34 -2.001 -10.570 -4.962 1.00 0.00 C ATOM 457 CZ TYR A 34 -2.126 -11.911 -4.769 1.00 0.00 C ATOM 458 OH TYR A 34 -3.349 -12.481 -4.943 1.00 0.00 O ATOM 0 H TYR A 34 0.919 -10.877 -1.480 1.00 0.00 H new ATOM 0 HA TYR A 34 3.045 -9.287 -2.651 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.830 -9.239 -4.874 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.515 -10.815 -4.531 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.056 -12.714 -3.943 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.580 -8.905 -4.925 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.224 -13.769 -4.268 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.854 -9.971 -5.247 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.238 -13.410 -5.234 1.00 0.00 H new ATOM 468 N VAL A 35 1.559 -7.325 -2.479 1.00 0.00 N ATOM 469 CA VAL A 35 0.750 -6.165 -2.146 1.00 0.00 C ATOM 470 C VAL A 35 0.063 -5.648 -3.412 1.00 0.00 C ATOM 471 O VAL A 35 0.666 -5.622 -4.483 1.00 0.00 O ATOM 472 CB VAL A 35 1.613 -5.105 -1.458 1.00 0.00 C ATOM 473 CG1 VAL A 35 0.757 -3.935 -0.968 1.00 0.00 C ATOM 474 CG2 VAL A 35 2.418 -5.715 -0.309 1.00 0.00 C ATOM 0 H VAL A 35 2.513 -7.111 -2.770 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.034 -6.436 -1.438 1.00 0.00 H new ATOM 0 HB VAL A 35 2.319 -4.719 -2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.395 -3.196 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.249 -3.476 -1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.017 -4.299 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.023 -4.941 0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.736 -6.142 0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.070 -6.498 -0.697 1.00 0.00 H new ATOM 484 N GLN A 36 -1.189 -5.249 -3.245 1.00 0.00 N ATOM 485 CA GLN A 36 -1.965 -4.733 -4.361 1.00 0.00 C ATOM 486 C GLN A 36 -2.519 -3.347 -4.027 1.00 0.00 C ATOM 487 O GLN A 36 -3.525 -3.229 -3.329 1.00 0.00 O ATOM 488 CB GLN A 36 -3.091 -5.698 -4.738 1.00 0.00 C ATOM 489 CG GLN A 36 -3.957 -5.119 -5.858 1.00 0.00 C ATOM 490 CD GLN A 36 -5.445 -5.312 -5.557 1.00 0.00 C ATOM 491 OE1 GLN A 36 -5.845 -5.613 -4.445 1.00 0.00 O ATOM 492 NE2 GLN A 36 -6.238 -5.122 -6.607 1.00 0.00 N ATOM 0 H GLN A 36 -1.686 -5.272 -2.354 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.306 -4.640 -5.224 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.667 -6.650 -5.057 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.709 -5.901 -3.863 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.741 -4.057 -5.977 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.708 -5.603 -6.802 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.837 -4.871 -7.511 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.248 -5.227 -6.509 1.00 0.00 H new ATOM 501 N LEU A 37 -1.839 -2.333 -4.540 1.00 0.00 N ATOM 502 CA LEU A 37 -2.250 -0.960 -4.305 1.00 0.00 C ATOM 503 C LEU A 37 -3.619 -0.725 -4.948 1.00 0.00 C ATOM 504 O LEU A 37 -3.904 -1.255 -6.021 1.00 0.00 O ATOM 505 CB LEU A 37 -1.171 0.013 -4.784 1.00 0.00 C ATOM 506 CG LEU A 37 0.153 -0.024 -4.018 1.00 0.00 C ATOM 507 CD1 LEU A 37 -0.004 -0.761 -2.687 1.00 0.00 C ATOM 508 CD2 LEU A 37 1.267 -0.624 -4.878 1.00 0.00 C ATOM 0 H LEU A 37 -1.005 -2.435 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.362 -0.774 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.966 -0.192 -5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.572 1.025 -4.729 1.00 0.00 H new ATOM 0 HG LEU A 37 0.442 1.001 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.952 -0.773 -2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.748 -0.251 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.328 -1.785 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.197 -0.639 -4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.999 -1.642 -5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.399 -0.020 -5.775 1.00 0.00 H new ATOM 520 N THR A 38 -4.429 0.071 -4.265 1.00 0.00 N ATOM 521 CA THR A 38 -5.761 0.382 -4.756 1.00 0.00 C ATOM 522 C THR A 38 -6.088 1.856 -4.512 1.00 0.00 C ATOM 523 O THR A 38 -6.084 2.316 -3.370 1.00 0.00 O ATOM 524 CB THR A 38 -6.747 -0.578 -4.089 1.00 0.00 C ATOM 525 OG1 THR A 38 -5.973 -1.745 -3.827 1.00 0.00 O ATOM 526 CG2 THR A 38 -7.835 -1.062 -5.051 1.00 0.00 C ATOM 0 H THR A 38 -4.189 0.510 -3.376 1.00 0.00 H new ATOM 0 HA THR A 38 -5.828 0.241 -5.835 1.00 0.00 H new ATOM 0 HB THR A 38 -7.210 -0.085 -3.234 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.465 -1.621 -2.998 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.508 -1.741 -4.527 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.399 -0.206 -5.423 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.374 -1.584 -5.889 1.00 0.00 H new ATOM 534 N CYS A 39 -6.364 2.557 -5.602 1.00 0.00 N ATOM 535 CA CYS A 39 -6.693 3.970 -5.520 1.00 0.00 C ATOM 536 C CYS A 39 -7.970 4.213 -6.326 1.00 0.00 C ATOM 537 O CYS A 39 -7.911 4.475 -7.526 1.00 0.00 O ATOM 538 CB CYS A 39 -5.537 4.849 -6.002 1.00 0.00 C ATOM 539 SG CYS A 39 -5.186 6.154 -4.769 1.00 0.00 S ATOM 0 H CYS A 39 -6.367 2.173 -6.547 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.863 4.247 -4.480 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.648 4.239 -6.161 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.789 5.302 -6.961 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.202 6.893 -5.187 1.00 0.00 H new ATOM 545 N ARG A 40 -9.096 4.119 -5.634 1.00 0.00 N ATOM 546 CA ARG A 40 -10.386 4.325 -6.270 1.00 0.00 C ATOM 547 C ARG A 40 -10.625 3.261 -7.343 1.00 0.00 C ATOM 548 O ARG A 40 -11.272 2.247 -7.083 1.00 0.00 O ATOM 549 CB ARG A 40 -10.468 5.712 -6.911 1.00 0.00 C ATOM 550 CG ARG A 40 -11.066 6.731 -5.939 1.00 0.00 C ATOM 551 CD ARG A 40 -10.387 6.647 -4.570 1.00 0.00 C ATOM 552 NE ARG A 40 -11.071 7.542 -3.610 1.00 0.00 N ATOM 553 CZ ARG A 40 -10.894 7.495 -2.283 1.00 0.00 C ATOM 554 NH1 ARG A 40 -10.055 6.597 -1.750 1.00 0.00 N ATOM 555 NH2 ARG A 40 -11.557 8.347 -1.488 1.00 0.00 N ATOM 0 H ARG A 40 -9.142 3.903 -4.638 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.152 4.247 -5.499 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.473 6.035 -7.215 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.077 5.664 -7.813 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.952 7.736 -6.345 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.135 6.551 -5.830 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.413 5.620 -4.205 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.337 6.928 -4.658 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.717 8.238 -3.982 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.551 5.949 -2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.921 6.562 -0.740 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.196 9.031 -1.894 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.422 8.311 -0.478 1.00 0.00 H new ATOM 569 N THR A 41 -10.090 3.527 -8.526 1.00 0.00 N ATOM 570 CA THR A 41 -10.238 2.605 -9.638 1.00 0.00 C ATOM 571 C THR A 41 -8.866 2.124 -10.118 1.00 0.00 C ATOM 572 O THR A 41 -8.777 1.263 -10.992 1.00 0.00 O ATOM 573 CB THR A 41 -11.051 3.305 -10.729 1.00 0.00 C ATOM 574 OG1 THR A 41 -10.251 4.426 -11.093 1.00 0.00 O ATOM 575 CG2 THR A 41 -12.340 3.928 -10.189 1.00 0.00 C ATOM 0 H THR A 41 -9.553 4.368 -8.738 1.00 0.00 H new ATOM 0 HA THR A 41 -10.777 1.707 -9.337 1.00 0.00 H new ATOM 0 HB THR A 41 -11.294 2.590 -11.515 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.703 4.935 -11.798 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.879 4.412 -11.003 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.965 3.149 -9.752 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.095 4.667 -9.426 1.00 0.00 H new ATOM 583 N GLN A 42 -7.832 2.701 -9.524 1.00 0.00 N ATOM 584 CA GLN A 42 -6.470 2.343 -9.880 1.00 0.00 C ATOM 585 C GLN A 42 -5.955 1.234 -8.960 1.00 0.00 C ATOM 586 O GLN A 42 -5.808 1.439 -7.756 1.00 0.00 O ATOM 587 CB GLN A 42 -5.551 3.565 -9.832 1.00 0.00 C ATOM 588 CG GLN A 42 -5.814 4.496 -11.017 1.00 0.00 C ATOM 589 CD GLN A 42 -5.155 5.860 -10.800 1.00 0.00 C ATOM 590 OE1 GLN A 42 -4.171 6.210 -11.430 1.00 0.00 O ATOM 591 NE2 GLN A 42 -5.751 6.607 -9.875 1.00 0.00 N ATOM 0 H GLN A 42 -7.910 3.414 -8.799 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.470 1.969 -10.904 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.707 4.106 -8.899 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.510 3.242 -9.843 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.430 4.044 -11.931 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.888 4.624 -11.152 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.572 6.253 -9.385 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.387 7.534 -9.656 1.00 0.00 H new ATOM 600 N ASP A 43 -5.696 0.082 -9.561 1.00 0.00 N ATOM 601 CA ASP A 43 -5.201 -1.059 -8.811 1.00 0.00 C ATOM 602 C ASP A 43 -3.862 -1.509 -9.398 1.00 0.00 C ATOM 603 O ASP A 43 -3.783 -1.862 -10.574 1.00 0.00 O ATOM 604 CB ASP A 43 -6.174 -2.238 -8.896 1.00 0.00 C ATOM 605 CG ASP A 43 -7.431 -1.980 -9.729 1.00 0.00 C ATOM 606 OD1 ASP A 43 -8.233 -1.124 -9.296 1.00 0.00 O ATOM 607 OD2 ASP A 43 -7.562 -2.644 -10.779 1.00 0.00 O ATOM 0 H ASP A 43 -5.820 -0.085 -10.560 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.091 -0.755 -7.770 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.647 -3.095 -9.316 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.476 -2.514 -7.886 1.00 0.00 H new ATOM 612 N GLN A 44 -2.842 -1.481 -8.553 1.00 0.00 N ATOM 613 CA GLN A 44 -1.510 -1.881 -8.974 1.00 0.00 C ATOM 614 C GLN A 44 -0.898 -2.843 -7.954 1.00 0.00 C ATOM 615 O GLN A 44 -0.770 -2.507 -6.777 1.00 0.00 O ATOM 616 CB GLN A 44 -0.612 -0.661 -9.185 1.00 0.00 C ATOM 617 CG GLN A 44 -1.163 0.241 -10.291 1.00 0.00 C ATOM 618 CD GLN A 44 -0.218 1.413 -10.564 1.00 0.00 C ATOM 619 OE1 GLN A 44 0.915 1.245 -10.986 1.00 0.00 O ATOM 620 NE2 GLN A 44 -0.745 2.606 -10.302 1.00 0.00 N ATOM 0 H GLN A 44 -2.911 -1.187 -7.579 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.592 -2.399 -9.929 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.535 -0.097 -8.256 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.395 -0.987 -9.445 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.302 -0.339 -11.203 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.143 0.619 -10.002 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.700 2.676 -9.951 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.194 3.451 -10.453 1.00 0.00 H new ATOM 629 N LYS A 45 -0.536 -4.020 -8.442 1.00 0.00 N ATOM 630 CA LYS A 45 0.060 -5.033 -7.587 1.00 0.00 C ATOM 631 C LYS A 45 1.433 -5.420 -8.142 1.00 0.00 C ATOM 632 O LYS A 45 1.693 -5.255 -9.333 1.00 0.00 O ATOM 633 CB LYS A 45 -0.891 -6.220 -7.419 1.00 0.00 C ATOM 634 CG LYS A 45 -0.116 -7.512 -7.155 1.00 0.00 C ATOM 635 CD LYS A 45 -0.993 -8.739 -7.408 1.00 0.00 C ATOM 636 CE LYS A 45 -1.322 -8.881 -8.895 1.00 0.00 C ATOM 637 NZ LYS A 45 -2.697 -8.405 -9.169 1.00 0.00 N ATOM 0 H LYS A 45 -0.644 -4.295 -9.418 1.00 0.00 H new ATOM 0 HA LYS A 45 0.220 -4.638 -6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.576 -6.028 -6.593 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.499 -6.333 -8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.763 -7.550 -7.798 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.241 -7.522 -6.125 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.480 -9.635 -7.058 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.916 -8.655 -6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.608 -8.309 -9.488 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.225 -9.924 -9.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.323 -9.221 -9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.041 -7.852 -8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.694 -7.807 -10.020 1.00 0.00 H new ATOM 651 N SER A 46 2.274 -5.927 -7.253 1.00 0.00 N ATOM 652 CA SER A 46 3.613 -6.338 -7.639 1.00 0.00 C ATOM 653 C SER A 46 3.728 -7.863 -7.585 1.00 0.00 C ATOM 654 O SER A 46 2.877 -8.533 -7.003 1.00 0.00 O ATOM 655 CB SER A 46 4.668 -5.694 -6.738 1.00 0.00 C ATOM 656 OG SER A 46 5.726 -5.107 -7.490 1.00 0.00 O ATOM 0 H SER A 46 2.054 -6.063 -6.266 1.00 0.00 H new ATOM 0 HA SER A 46 3.793 -6.002 -8.660 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.198 -4.931 -6.117 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.077 -6.446 -6.063 1.00 0.00 H new ATOM 0 HG SER A 46 6.433 -5.770 -7.633 1.00 0.00 H new ATOM 662 N ASN A 47 4.788 -8.366 -8.201 1.00 0.00 N ATOM 663 CA ASN A 47 5.025 -9.800 -8.230 1.00 0.00 C ATOM 664 C ASN A 47 4.897 -10.363 -6.813 1.00 0.00 C ATOM 665 O ASN A 47 4.679 -9.614 -5.862 1.00 0.00 O ATOM 666 CB ASN A 47 6.433 -10.114 -8.739 1.00 0.00 C ATOM 667 CG ASN A 47 6.442 -10.283 -10.260 1.00 0.00 C ATOM 668 OD1 ASN A 47 6.044 -9.407 -11.010 1.00 0.00 O ATOM 669 ND2 ASN A 47 6.917 -11.455 -10.671 1.00 0.00 N ATOM 0 H ASN A 47 5.492 -7.807 -8.683 1.00 0.00 H new ATOM 0 HA ASN A 47 4.291 -10.250 -8.898 1.00 0.00 H new ATOM 0 HB2 ASN A 47 7.114 -9.311 -8.455 1.00 0.00 H new ATOM 0 HB3 ASN A 47 6.800 -11.025 -8.266 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.964 -11.665 -11.668 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.234 -12.144 -9.989 1.00 0.00 H new ATOM 676 N VAL A 48 5.039 -11.676 -6.718 1.00 0.00 N ATOM 677 CA VAL A 48 4.942 -12.348 -5.433 1.00 0.00 C ATOM 678 C VAL A 48 6.333 -12.436 -4.803 1.00 0.00 C ATOM 679 O VAL A 48 7.335 -12.529 -5.511 1.00 0.00 O ATOM 680 CB VAL A 48 4.277 -13.715 -5.606 1.00 0.00 C ATOM 681 CG1 VAL A 48 2.971 -13.593 -6.395 1.00 0.00 C ATOM 682 CG2 VAL A 48 5.230 -14.709 -6.274 1.00 0.00 C ATOM 0 H VAL A 48 5.221 -12.293 -7.510 1.00 0.00 H new ATOM 0 HA VAL A 48 4.311 -11.779 -4.751 1.00 0.00 H new ATOM 0 HB VAL A 48 4.036 -14.098 -4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.518 -14.579 -6.504 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.284 -12.935 -5.862 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.179 -13.178 -7.381 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.732 -15.672 -6.385 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.517 -14.334 -7.256 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.121 -14.830 -5.657 1.00 0.00 H new ATOM 692 N ALA A 49 6.351 -12.404 -3.478 1.00 0.00 N ATOM 693 CA ALA A 49 7.603 -12.479 -2.744 1.00 0.00 C ATOM 694 C ALA A 49 8.049 -13.940 -2.654 1.00 0.00 C ATOM 695 O ALA A 49 7.729 -14.632 -1.689 1.00 0.00 O ATOM 696 CB ALA A 49 7.426 -11.837 -1.367 1.00 0.00 C ATOM 0 H ALA A 49 5.518 -12.327 -2.894 1.00 0.00 H new ATOM 0 HA ALA A 49 8.387 -11.927 -3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.365 -11.893 -0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.137 -10.793 -1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.650 -12.367 -0.816 1.00 0.00 H new ATOM 702 N GLU A 50 8.782 -14.365 -3.673 1.00 0.00 N ATOM 703 CA GLU A 50 9.276 -15.731 -3.721 1.00 0.00 C ATOM 704 C GLU A 50 10.367 -15.938 -2.669 1.00 0.00 C ATOM 705 O GLU A 50 11.284 -15.126 -2.553 1.00 0.00 O ATOM 706 CB GLU A 50 9.789 -16.080 -5.119 1.00 0.00 C ATOM 707 CG GLU A 50 8.666 -15.984 -6.155 1.00 0.00 C ATOM 708 CD GLU A 50 9.235 -15.834 -7.567 1.00 0.00 C ATOM 709 OE1 GLU A 50 10.171 -15.020 -7.718 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.720 -16.536 -8.464 1.00 0.00 O ATOM 0 H GLU A 50 9.046 -13.788 -4.472 1.00 0.00 H new ATOM 0 HA GLU A 50 8.449 -16.404 -3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.599 -15.404 -5.392 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.202 -17.089 -5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.041 -16.876 -6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.026 -15.133 -5.925 1.00 0.00 H new ATOM 717 N GLY A 51 10.233 -17.028 -1.929 1.00 0.00 N ATOM 718 CA GLY A 51 11.196 -17.352 -0.891 1.00 0.00 C ATOM 719 C GLY A 51 11.717 -16.084 -0.212 1.00 0.00 C ATOM 720 O GLY A 51 12.891 -15.741 -0.346 1.00 0.00 O ATOM 0 H GLY A 51 9.471 -17.699 -2.028 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.732 -18.002 -0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.029 -17.906 -1.323 1.00 0.00 H new ATOM 724 N MET A 52 10.819 -15.422 0.503 1.00 0.00 N ATOM 725 CA MET A 52 11.174 -14.199 1.203 1.00 0.00 C ATOM 726 C MET A 52 11.040 -14.375 2.717 1.00 0.00 C ATOM 727 O MET A 52 11.791 -13.775 3.484 1.00 0.00 O ATOM 728 CB MET A 52 10.262 -13.062 0.739 1.00 0.00 C ATOM 729 CG MET A 52 11.082 -11.861 0.263 1.00 0.00 C ATOM 730 SD MET A 52 12.165 -12.350 -1.068 1.00 0.00 S ATOM 731 CE MET A 52 11.453 -11.409 -2.408 1.00 0.00 C ATOM 0 H MET A 52 9.846 -15.709 0.613 1.00 0.00 H new ATOM 0 HA MET A 52 12.213 -13.960 0.974 1.00 0.00 H new ATOM 0 HB2 MET A 52 9.621 -13.412 -0.070 1.00 0.00 H new ATOM 0 HB3 MET A 52 9.608 -12.759 1.556 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.416 -11.066 -0.072 1.00 0.00 H new ATOM 0 HG3 MET A 52 11.667 -11.459 1.090 1.00 0.00 H new ATOM 0 HE1 MET A 52 11.698 -11.885 -3.357 1.00 0.00 H new ATOM 0 HE2 MET A 52 10.370 -11.370 -2.290 1.00 0.00 H new ATOM 0 HE3 MET A 52 11.856 -10.396 -2.395 1.00 0.00 H new ATOM 741 N GLY A 53 10.078 -15.202 3.101 1.00 0.00 N ATOM 742 CA GLY A 53 9.836 -15.465 4.510 1.00 0.00 C ATOM 743 C GLY A 53 8.702 -14.588 5.044 1.00 0.00 C ATOM 744 O GLY A 53 7.823 -14.175 4.289 1.00 0.00 O ATOM 0 H GLY A 53 9.457 -15.698 2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.584 -16.516 4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.746 -15.277 5.080 1.00 0.00 H new ATOM 748 N THR A 54 8.759 -14.329 6.343 1.00 0.00 N ATOM 749 CA THR A 54 7.748 -13.508 6.987 1.00 0.00 C ATOM 750 C THR A 54 8.064 -12.023 6.794 1.00 0.00 C ATOM 751 O THR A 54 7.440 -11.167 7.419 1.00 0.00 O ATOM 752 CB THR A 54 7.666 -13.926 8.456 1.00 0.00 C ATOM 753 OG1 THR A 54 9.019 -14.184 8.820 1.00 0.00 O ATOM 754 CG2 THR A 54 6.966 -15.274 8.643 1.00 0.00 C ATOM 0 H THR A 54 9.489 -14.673 6.966 1.00 0.00 H new ATOM 0 HA THR A 54 6.768 -13.660 6.535 1.00 0.00 H new ATOM 0 HB THR A 54 7.136 -13.160 9.022 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.058 -14.460 9.760 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.935 -15.524 9.704 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.949 -15.213 8.254 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.515 -16.047 8.105 1.00 0.00 H new ATOM 762 N THR A 55 9.032 -11.765 5.928 1.00 0.00 N ATOM 763 CA THR A 55 9.438 -10.399 5.645 1.00 0.00 C ATOM 764 C THR A 55 9.688 -10.216 4.147 1.00 0.00 C ATOM 765 O THR A 55 10.835 -10.116 3.713 1.00 0.00 O ATOM 766 CB THR A 55 10.660 -10.080 6.508 1.00 0.00 C ATOM 767 OG1 THR A 55 11.437 -11.274 6.463 1.00 0.00 O ATOM 768 CG2 THR A 55 10.306 -9.922 7.989 1.00 0.00 C ATOM 0 H THR A 55 9.547 -12.479 5.413 1.00 0.00 H new ATOM 0 HA THR A 55 8.649 -9.692 5.900 1.00 0.00 H new ATOM 0 HB THR A 55 11.130 -9.165 6.147 1.00 0.00 H new ATOM 0 HG1 THR A 55 12.251 -11.155 6.996 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.209 -9.696 8.557 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.590 -9.109 8.107 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.867 -10.848 8.359 1.00 0.00 H new ATOM 776 N PRO A 56 8.567 -10.177 3.377 1.00 0.00 N ATOM 777 CA PRO A 56 8.654 -10.008 1.937 1.00 0.00 C ATOM 778 C PRO A 56 8.995 -8.561 1.574 1.00 0.00 C ATOM 779 O PRO A 56 8.688 -7.639 2.328 1.00 0.00 O ATOM 780 CB PRO A 56 7.300 -10.450 1.406 1.00 0.00 C ATOM 781 CG PRO A 56 6.353 -10.408 2.595 1.00 0.00 C ATOM 782 CD PRO A 56 7.193 -10.293 3.856 1.00 0.00 C ATOM 0 HA PRO A 56 9.454 -10.600 1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.958 -9.789 0.610 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.354 -11.454 0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.672 -9.561 2.511 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.739 -11.308 2.626 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.905 -9.423 4.446 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.069 -11.167 4.495 1.00 0.00 H new ATOM 790 N GLU A 57 9.626 -8.407 0.419 1.00 0.00 N ATOM 791 CA GLU A 57 10.012 -7.089 -0.053 1.00 0.00 C ATOM 792 C GLU A 57 9.796 -6.981 -1.564 1.00 0.00 C ATOM 793 O GLU A 57 9.879 -7.979 -2.279 1.00 0.00 O ATOM 794 CB GLU A 57 11.463 -6.777 0.317 1.00 0.00 C ATOM 795 CG GLU A 57 11.751 -5.279 0.195 1.00 0.00 C ATOM 796 CD GLU A 57 13.113 -4.932 0.799 1.00 0.00 C ATOM 797 OE1 GLU A 57 14.009 -5.800 0.716 1.00 0.00 O ATOM 798 OE2 GLU A 57 13.228 -3.806 1.330 1.00 0.00 O ATOM 0 H GLU A 57 9.879 -9.174 -0.204 1.00 0.00 H new ATOM 0 HA GLU A 57 9.379 -6.350 0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.661 -7.107 1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.136 -7.334 -0.335 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.729 -4.985 -0.854 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.970 -4.712 0.701 1.00 0.00 H new ATOM 805 N TRP A 58 9.522 -5.762 -2.005 1.00 0.00 N ATOM 806 CA TRP A 58 9.294 -5.512 -3.418 1.00 0.00 C ATOM 807 C TRP A 58 10.158 -4.319 -3.833 1.00 0.00 C ATOM 808 O TRP A 58 10.905 -4.398 -4.806 1.00 0.00 O ATOM 809 CB TRP A 58 7.806 -5.300 -3.704 1.00 0.00 C ATOM 810 CG TRP A 58 6.912 -6.448 -3.232 1.00 0.00 C ATOM 811 CD1 TRP A 58 6.502 -7.516 -3.931 1.00 0.00 C ATOM 812 CD2 TRP A 58 6.330 -6.602 -1.920 1.00 0.00 C ATOM 813 NE1 TRP A 58 5.702 -8.343 -3.169 1.00 0.00 N ATOM 814 CE2 TRP A 58 5.594 -7.770 -1.907 1.00 0.00 C ATOM 815 CE3 TRP A 58 6.423 -5.782 -0.782 1.00 0.00 C ATOM 816 CZ2 TRP A 58 4.895 -8.223 -0.782 1.00 0.00 C ATOM 817 CZ3 TRP A 58 5.718 -6.249 0.334 1.00 0.00 C ATOM 818 CH2 TRP A 58 4.973 -7.422 0.363 1.00 0.00 C ATOM 0 H TRP A 58 9.453 -4.937 -1.409 1.00 0.00 H new ATOM 0 HA TRP A 58 9.585 -6.377 -4.014 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.481 -4.378 -3.221 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.669 -5.163 -4.777 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.765 -7.705 -4.961 1.00 0.00 H new ATOM 0 HE1 TRP A 58 5.269 -9.214 -3.475 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.993 -4.865 -0.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.326 -9.141 -0.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 5.756 -5.656 1.236 1.00 0.00 H new ATOM 0 HH2 TRP A 58 4.456 -7.714 1.265 1.00 0.00 H new ATOM 829 N ASN A 59 10.026 -3.241 -3.073 1.00 0.00 N ATOM 830 CA ASN A 59 10.785 -2.034 -3.350 1.00 0.00 C ATOM 831 C ASN A 59 10.404 -1.502 -4.732 1.00 0.00 C ATOM 832 O ASN A 59 11.245 -0.957 -5.445 1.00 0.00 O ATOM 833 CB ASN A 59 12.289 -2.317 -3.350 1.00 0.00 C ATOM 834 CG ASN A 59 12.876 -2.163 -1.946 1.00 0.00 C ATOM 835 OD1 ASN A 59 12.753 -1.134 -1.302 1.00 0.00 O ATOM 836 ND2 ASN A 59 13.520 -3.242 -1.508 1.00 0.00 N ATOM 0 H ASN A 59 9.405 -3.179 -2.266 1.00 0.00 H new ATOM 0 HA ASN A 59 10.555 -1.306 -2.572 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.473 -3.327 -3.716 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.791 -1.634 -4.035 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.948 -3.240 -0.582 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.586 -4.071 -2.098 1.00 0.00 H new ATOM 843 N GLU A 60 9.135 -1.679 -5.070 1.00 0.00 N ATOM 844 CA GLU A 60 8.632 -1.223 -6.355 1.00 0.00 C ATOM 845 C GLU A 60 8.095 0.205 -6.238 1.00 0.00 C ATOM 846 O GLU A 60 8.169 0.815 -5.173 1.00 0.00 O ATOM 847 CB GLU A 60 7.557 -2.171 -6.890 1.00 0.00 C ATOM 848 CG GLU A 60 8.139 -3.129 -7.931 1.00 0.00 C ATOM 849 CD GLU A 60 7.612 -2.804 -9.330 1.00 0.00 C ATOM 850 OE1 GLU A 60 8.007 -1.739 -9.853 1.00 0.00 O ATOM 851 OE2 GLU A 60 6.825 -3.627 -9.846 1.00 0.00 O ATOM 0 H GLU A 60 8.440 -2.132 -4.476 1.00 0.00 H new ATOM 0 HA GLU A 60 9.457 -1.223 -7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.127 -2.741 -6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.747 -1.594 -7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.227 -3.062 -7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.881 -4.155 -7.671 1.00 0.00 H new ATOM 858 N THR A 61 7.566 0.697 -7.349 1.00 0.00 N ATOM 859 CA THR A 61 7.018 2.042 -7.385 1.00 0.00 C ATOM 860 C THR A 61 5.796 2.095 -8.305 1.00 0.00 C ATOM 861 O THR A 61 5.880 1.725 -9.476 1.00 0.00 O ATOM 862 CB THR A 61 8.136 2.998 -7.805 1.00 0.00 C ATOM 863 OG1 THR A 61 8.905 3.174 -6.618 1.00 0.00 O ATOM 864 CG2 THR A 61 7.617 4.401 -8.124 1.00 0.00 C ATOM 0 H THR A 61 7.505 0.188 -8.231 1.00 0.00 H new ATOM 0 HA THR A 61 6.660 2.349 -6.402 1.00 0.00 H new ATOM 0 HB THR A 61 8.651 2.595 -8.677 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.654 3.780 -6.800 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.451 5.040 -8.416 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.898 4.346 -8.941 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.132 4.819 -7.242 1.00 0.00 H new ATOM 872 N PHE A 62 4.690 2.557 -7.741 1.00 0.00 N ATOM 873 CA PHE A 62 3.453 2.663 -8.496 1.00 0.00 C ATOM 874 C PHE A 62 2.878 4.078 -8.410 1.00 0.00 C ATOM 875 O PHE A 62 2.604 4.576 -7.319 1.00 0.00 O ATOM 876 CB PHE A 62 2.460 1.683 -7.868 1.00 0.00 C ATOM 877 CG PHE A 62 3.008 0.264 -7.699 1.00 0.00 C ATOM 878 CD1 PHE A 62 2.857 -0.647 -8.698 1.00 0.00 C ATOM 879 CD2 PHE A 62 3.647 -0.086 -6.550 1.00 0.00 C ATOM 880 CE1 PHE A 62 3.366 -1.963 -8.541 1.00 0.00 C ATOM 881 CE2 PHE A 62 4.155 -1.402 -6.394 1.00 0.00 C ATOM 882 CZ PHE A 62 4.004 -2.313 -7.392 1.00 0.00 C ATOM 0 H PHE A 62 4.625 2.862 -6.770 1.00 0.00 H new ATOM 0 HA PHE A 62 3.638 2.438 -9.546 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.158 2.063 -6.892 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.563 1.644 -8.487 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.350 -0.369 -9.610 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.768 0.637 -5.757 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.247 -2.686 -9.334 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.662 -1.680 -5.482 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.391 -3.314 -7.272 1.00 0.00 H new ATOM 892 N ILE A 63 2.712 4.686 -9.576 1.00 0.00 N ATOM 893 CA ILE A 63 2.174 6.034 -9.646 1.00 0.00 C ATOM 894 C ILE A 63 0.650 5.966 -9.759 1.00 0.00 C ATOM 895 O ILE A 63 0.113 5.093 -10.440 1.00 0.00 O ATOM 896 CB ILE A 63 2.840 6.818 -10.779 1.00 0.00 C ATOM 897 CG1 ILE A 63 4.347 6.556 -10.815 1.00 0.00 C ATOM 898 CG2 ILE A 63 2.520 8.311 -10.675 1.00 0.00 C ATOM 899 CD1 ILE A 63 5.042 7.183 -9.605 1.00 0.00 C ATOM 0 H ILE A 63 2.940 4.270 -10.479 1.00 0.00 H new ATOM 0 HA ILE A 63 2.402 6.583 -8.732 1.00 0.00 H new ATOM 0 HB ILE A 63 2.429 6.466 -11.725 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.533 5.482 -10.829 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.769 6.965 -11.733 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.005 8.845 -11.492 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.442 8.457 -10.736 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.885 8.696 -9.723 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.112 6.982 -9.655 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.875 8.260 -9.607 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.635 6.754 -8.689 1.00 0.00 H new ATOM 911 N PHE A 64 -0.004 6.897 -9.080 1.00 0.00 N ATOM 912 CA PHE A 64 -1.456 6.953 -9.096 1.00 0.00 C ATOM 913 C PHE A 64 -1.947 8.377 -9.365 1.00 0.00 C ATOM 914 O PHE A 64 -1.576 9.310 -8.654 1.00 0.00 O ATOM 915 CB PHE A 64 -1.936 6.514 -7.711 1.00 0.00 C ATOM 916 CG PHE A 64 -1.925 4.999 -7.500 1.00 0.00 C ATOM 917 CD1 PHE A 64 -2.945 4.238 -7.980 1.00 0.00 C ATOM 918 CD2 PHE A 64 -0.895 4.413 -6.832 1.00 0.00 C ATOM 919 CE1 PHE A 64 -2.935 2.832 -7.785 1.00 0.00 C ATOM 920 CE2 PHE A 64 -0.885 3.006 -6.636 1.00 0.00 C ATOM 921 CZ PHE A 64 -1.905 2.246 -7.117 1.00 0.00 C ATOM 0 H PHE A 64 0.445 7.618 -8.515 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.844 6.308 -9.885 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.305 6.980 -6.954 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.949 6.885 -7.554 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.763 4.704 -8.510 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.085 5.017 -6.451 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.745 2.228 -8.167 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.068 2.540 -6.105 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.897 1.176 -6.969 1.00 0.00 H new ATOM 931 N THR A 65 -2.774 8.500 -10.393 1.00 0.00 N ATOM 932 CA THR A 65 -3.319 9.794 -10.765 1.00 0.00 C ATOM 933 C THR A 65 -4.295 10.289 -9.695 1.00 0.00 C ATOM 934 O THR A 65 -5.294 9.631 -9.409 1.00 0.00 O ATOM 935 CB THR A 65 -3.954 9.660 -12.150 1.00 0.00 C ATOM 936 OG1 THR A 65 -2.843 9.667 -13.043 1.00 0.00 O ATOM 937 CG2 THR A 65 -4.759 10.898 -12.548 1.00 0.00 C ATOM 0 H THR A 65 -3.080 7.724 -10.980 1.00 0.00 H new ATOM 0 HA THR A 65 -2.536 10.551 -10.822 1.00 0.00 H new ATOM 0 HB THR A 65 -4.603 8.784 -12.168 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.164 9.582 -13.965 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.188 10.750 -13.539 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.560 11.059 -11.826 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.104 11.769 -12.563 1.00 0.00 H new ATOM 945 N VAL A 66 -3.971 11.444 -9.133 1.00 0.00 N ATOM 946 CA VAL A 66 -4.807 12.034 -8.101 1.00 0.00 C ATOM 947 C VAL A 66 -5.728 13.080 -8.733 1.00 0.00 C ATOM 948 O VAL A 66 -5.357 13.731 -9.709 1.00 0.00 O ATOM 949 CB VAL A 66 -3.932 12.605 -6.983 1.00 0.00 C ATOM 950 CG1 VAL A 66 -4.791 13.188 -5.859 1.00 0.00 C ATOM 951 CG2 VAL A 66 -2.969 11.546 -6.445 1.00 0.00 C ATOM 0 H VAL A 66 -3.141 11.987 -9.372 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.442 11.276 -7.644 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.336 13.415 -7.404 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.145 13.587 -5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.416 13.987 -6.256 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.424 12.405 -5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.359 11.978 -5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.538 10.705 -6.048 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.323 11.199 -7.251 1.00 0.00 H new ATOM 961 N SER A 67 -6.911 13.209 -8.151 1.00 0.00 N ATOM 962 CA SER A 67 -7.888 14.164 -8.645 1.00 0.00 C ATOM 963 C SER A 67 -9.126 14.158 -7.747 1.00 0.00 C ATOM 964 O SER A 67 -10.166 13.618 -8.121 1.00 0.00 O ATOM 965 CB SER A 67 -8.280 13.853 -10.091 1.00 0.00 C ATOM 966 OG SER A 67 -9.477 14.524 -10.476 1.00 0.00 O ATOM 0 H SER A 67 -7.215 12.668 -7.342 1.00 0.00 H new ATOM 0 HA SER A 67 -7.437 15.156 -8.625 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.469 14.147 -10.758 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.414 12.777 -10.207 1.00 0.00 H new ATOM 0 HG SER A 67 -10.190 14.315 -9.837 1.00 0.00 H new ATOM 972 N GLU A 68 -8.974 14.764 -6.578 1.00 0.00 N ATOM 973 CA GLU A 68 -10.067 14.836 -5.624 1.00 0.00 C ATOM 974 C GLU A 68 -10.569 13.431 -5.287 1.00 0.00 C ATOM 975 O GLU A 68 -10.310 12.481 -6.025 1.00 0.00 O ATOM 976 CB GLU A 68 -11.203 15.712 -6.155 1.00 0.00 C ATOM 977 CG GLU A 68 -11.931 16.419 -5.011 1.00 0.00 C ATOM 978 CD GLU A 68 -13.060 17.304 -5.543 1.00 0.00 C ATOM 979 OE1 GLU A 68 -14.141 16.740 -5.821 1.00 0.00 O ATOM 980 OE2 GLU A 68 -12.817 18.524 -5.661 1.00 0.00 O ATOM 0 H GLU A 68 -8.110 15.210 -6.270 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.695 15.298 -4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.803 16.452 -6.848 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.908 15.099 -6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.338 15.679 -4.322 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.224 17.026 -4.445 1.00 0.00 H new ATOM 987 N GLY A 69 -11.280 13.343 -4.172 1.00 0.00 N ATOM 988 CA GLY A 69 -11.821 12.069 -3.728 1.00 0.00 C ATOM 989 C GLY A 69 -10.732 11.201 -3.095 1.00 0.00 C ATOM 990 O GLY A 69 -10.871 10.756 -1.956 1.00 0.00 O ATOM 0 H GLY A 69 -11.494 14.133 -3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.619 12.241 -3.006 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.264 11.543 -4.574 1.00 0.00 H new ATOM 994 N THR A 70 -9.672 10.986 -3.860 1.00 0.00 N ATOM 995 CA THR A 70 -8.560 10.178 -3.388 1.00 0.00 C ATOM 996 C THR A 70 -7.856 10.871 -2.220 1.00 0.00 C ATOM 997 O THR A 70 -7.299 11.956 -2.381 1.00 0.00 O ATOM 998 CB THR A 70 -7.637 9.904 -4.577 1.00 0.00 C ATOM 999 OG1 THR A 70 -8.521 9.490 -5.615 1.00 0.00 O ATOM 1000 CG2 THR A 70 -6.734 8.690 -4.350 1.00 0.00 C ATOM 0 H THR A 70 -9.559 11.357 -4.803 1.00 0.00 H new ATOM 0 HA THR A 70 -8.904 9.220 -2.998 1.00 0.00 H new ATOM 0 HB THR A 70 -7.022 10.783 -4.768 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.005 9.294 -6.425 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.100 8.540 -5.224 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.110 8.860 -3.473 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.349 7.804 -4.192 1.00 0.00 H new ATOM 1008 N THR A 71 -7.903 10.216 -1.070 1.00 0.00 N ATOM 1009 CA THR A 71 -7.277 10.756 0.125 1.00 0.00 C ATOM 1010 C THR A 71 -6.632 9.634 0.942 1.00 0.00 C ATOM 1011 O THR A 71 -6.265 9.836 2.099 1.00 0.00 O ATOM 1012 CB THR A 71 -8.337 11.540 0.901 1.00 0.00 C ATOM 1013 OG1 THR A 71 -9.425 10.629 1.021 1.00 0.00 O ATOM 1014 CG2 THR A 71 -8.913 12.704 0.092 1.00 0.00 C ATOM 0 H THR A 71 -8.365 9.316 -0.940 1.00 0.00 H new ATOM 0 HA THR A 71 -6.466 11.440 -0.127 1.00 0.00 H new ATOM 0 HB THR A 71 -7.902 11.920 1.825 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.157 11.056 1.514 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.660 13.227 0.689 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.112 13.394 -0.173 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.377 12.321 -0.817 1.00 0.00 H new ATOM 1022 N GLU A 72 -6.514 8.476 0.308 1.00 0.00 N ATOM 1023 CA GLU A 72 -5.920 7.323 0.962 1.00 0.00 C ATOM 1024 C GLU A 72 -5.764 6.171 -0.033 1.00 0.00 C ATOM 1025 O GLU A 72 -6.520 6.074 -0.999 1.00 0.00 O ATOM 1026 CB GLU A 72 -6.749 6.892 2.174 1.00 0.00 C ATOM 1027 CG GLU A 72 -7.847 5.909 1.765 1.00 0.00 C ATOM 1028 CD GLU A 72 -9.156 6.214 2.496 1.00 0.00 C ATOM 1029 OE1 GLU A 72 -9.546 7.401 2.490 1.00 0.00 O ATOM 1030 OE2 GLU A 72 -9.737 5.253 3.045 1.00 0.00 O ATOM 0 H GLU A 72 -6.820 8.312 -0.651 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.930 7.604 1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.100 6.429 2.917 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.197 7.768 2.643 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.006 5.964 0.688 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.530 4.890 1.989 1.00 0.00 H new ATOM 1037 N LEU A 73 -4.779 5.327 0.237 1.00 0.00 N ATOM 1038 CA LEU A 73 -4.514 4.186 -0.623 1.00 0.00 C ATOM 1039 C LEU A 73 -4.828 2.896 0.138 1.00 0.00 C ATOM 1040 O LEU A 73 -4.622 2.820 1.348 1.00 0.00 O ATOM 1041 CB LEU A 73 -3.086 4.246 -1.168 1.00 0.00 C ATOM 1042 CG LEU A 73 -2.644 3.057 -2.023 1.00 0.00 C ATOM 1043 CD1 LEU A 73 -3.137 3.204 -3.464 1.00 0.00 C ATOM 1044 CD2 LEU A 73 -1.127 2.865 -1.954 1.00 0.00 C ATOM 0 H LEU A 73 -4.155 5.410 1.039 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.165 4.208 -1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.983 5.154 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.400 4.337 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.102 2.156 -1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.809 2.346 -4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.226 3.255 -3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.728 4.117 -3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.840 2.013 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.630 3.763 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.830 2.682 -0.921 1.00 0.00 H new ATOM 1056 N LYS A 74 -5.321 1.915 -0.603 1.00 0.00 N ATOM 1057 CA LYS A 74 -5.666 0.633 -0.014 1.00 0.00 C ATOM 1058 C LYS A 74 -4.667 -0.426 -0.487 1.00 0.00 C ATOM 1059 O LYS A 74 -4.443 -0.580 -1.687 1.00 0.00 O ATOM 1060 CB LYS A 74 -7.124 0.280 -0.313 1.00 0.00 C ATOM 1061 CG LYS A 74 -8.039 0.713 0.834 1.00 0.00 C ATOM 1062 CD LYS A 74 -7.951 2.223 1.067 1.00 0.00 C ATOM 1063 CE LYS A 74 -9.325 2.880 0.930 1.00 0.00 C ATOM 1064 NZ LYS A 74 -10.286 2.274 1.878 1.00 0.00 N ATOM 0 H LYS A 74 -5.490 1.982 -1.607 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.591 0.681 1.072 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.438 0.766 -1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.217 -0.794 -0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.068 0.436 0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.760 0.184 1.745 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.548 2.418 2.061 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.259 2.665 0.350 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.243 3.950 1.120 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.690 2.764 -0.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.985 2.988 2.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.773 1.479 1.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.776 1.929 2.716 1.00 0.00 H new ATOM 1078 N ALA A 75 -4.095 -1.128 0.480 1.00 0.00 N ATOM 1079 CA ALA A 75 -3.126 -2.168 0.177 1.00 0.00 C ATOM 1080 C ALA A 75 -3.603 -3.493 0.774 1.00 0.00 C ATOM 1081 O ALA A 75 -3.841 -3.586 1.978 1.00 0.00 O ATOM 1082 CB ALA A 75 -1.751 -1.753 0.703 1.00 0.00 C ATOM 0 H ALA A 75 -4.284 -0.997 1.474 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.035 -2.306 -0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.024 -2.533 0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.445 -0.822 0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.803 -1.608 1.782 1.00 0.00 H new ATOM 1088 N LYS A 76 -3.730 -4.486 -0.094 1.00 0.00 N ATOM 1089 CA LYS A 76 -4.174 -5.801 0.332 1.00 0.00 C ATOM 1090 C LYS A 76 -3.103 -6.836 -0.021 1.00 0.00 C ATOM 1091 O LYS A 76 -2.492 -6.763 -1.086 1.00 0.00 O ATOM 1092 CB LYS A 76 -5.552 -6.118 -0.254 1.00 0.00 C ATOM 1093 CG LYS A 76 -6.655 -5.385 0.513 1.00 0.00 C ATOM 1094 CD LYS A 76 -8.004 -6.083 0.332 1.00 0.00 C ATOM 1095 CE LYS A 76 -8.725 -6.239 1.673 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.566 -5.053 1.950 1.00 0.00 N ATOM 0 H LYS A 76 -3.533 -4.405 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.300 -5.828 1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.580 -5.828 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.729 -7.193 -0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.401 -5.345 1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.724 -4.355 0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.626 -5.508 -0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.853 -7.063 -0.120 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.344 -7.136 1.657 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.995 -6.369 2.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.048 -5.175 2.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.967 -4.203 1.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.274 -4.946 1.196 1.00 0.00 H new ATOM 1110 N ILE A 77 -2.909 -7.775 0.893 1.00 0.00 N ATOM 1111 CA ILE A 77 -1.923 -8.823 0.691 1.00 0.00 C ATOM 1112 C ILE A 77 -2.634 -10.174 0.589 1.00 0.00 C ATOM 1113 O ILE A 77 -3.635 -10.405 1.265 1.00 0.00 O ATOM 1114 CB ILE A 77 -0.855 -8.772 1.786 1.00 0.00 C ATOM 1115 CG1 ILE A 77 -0.212 -7.385 1.860 1.00 0.00 C ATOM 1116 CG2 ILE A 77 0.185 -9.877 1.590 1.00 0.00 C ATOM 1117 CD1 ILE A 77 -0.916 -6.509 2.899 1.00 0.00 C ATOM 0 H ILE A 77 -3.418 -7.832 1.775 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.392 -8.670 -0.248 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.340 -8.954 2.745 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.843 -7.482 2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.260 -6.905 0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.932 -9.818 2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.306 -10.849 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.671 -9.752 0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.440 -5.529 2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.965 -6.394 2.627 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.845 -6.980 3.880 1.00 0.00 H new ATOM 1129 N PHE A 78 -2.089 -11.030 -0.262 1.00 0.00 N ATOM 1130 CA PHE A 78 -2.658 -12.352 -0.462 1.00 0.00 C ATOM 1131 C PHE A 78 -1.561 -13.392 -0.698 1.00 0.00 C ATOM 1132 O PHE A 78 -0.405 -13.171 -0.343 1.00 0.00 O ATOM 1133 CB PHE A 78 -3.546 -12.273 -1.706 1.00 0.00 C ATOM 1134 CG PHE A 78 -4.583 -11.149 -1.660 1.00 0.00 C ATOM 1135 CD1 PHE A 78 -4.192 -9.856 -1.816 1.00 0.00 C ATOM 1136 CD2 PHE A 78 -5.896 -11.444 -1.463 1.00 0.00 C ATOM 1137 CE1 PHE A 78 -5.155 -8.813 -1.774 1.00 0.00 C ATOM 1138 CE2 PHE A 78 -6.859 -10.401 -1.420 1.00 0.00 C ATOM 1139 CZ PHE A 78 -6.468 -9.108 -1.577 1.00 0.00 C ATOM 0 H PHE A 78 -1.259 -10.834 -0.821 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.221 -12.652 0.422 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.914 -12.134 -2.583 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.062 -13.225 -1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.149 -9.622 -1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.206 -12.471 -1.339 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.845 -7.786 -1.898 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.902 -10.635 -1.263 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.200 -8.315 -1.545 1.00 0.00 H new ATOM 1149 N ASP A 79 -1.963 -14.504 -1.296 1.00 0.00 N ATOM 1150 CA ASP A 79 -1.029 -15.579 -1.583 1.00 0.00 C ATOM 1151 C ASP A 79 -0.997 -15.832 -3.092 1.00 0.00 C ATOM 1152 O ASP A 79 -2.033 -15.788 -3.754 1.00 0.00 O ATOM 1153 CB ASP A 79 -1.455 -16.878 -0.895 1.00 0.00 C ATOM 1154 CG ASP A 79 -0.604 -18.102 -1.241 1.00 0.00 C ATOM 1155 OD1 ASP A 79 0.502 -17.889 -1.783 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -1.079 -19.222 -0.955 1.00 0.00 O ATOM 0 H ASP A 79 -2.923 -14.684 -1.590 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.048 -15.280 -1.214 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.425 -16.727 0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.491 -17.088 -1.159 1.00 0.00 H new ATOM 1161 N LYS A 80 0.202 -16.091 -3.591 1.00 0.00 N ATOM 1162 CA LYS A 80 0.382 -16.350 -5.009 1.00 0.00 C ATOM 1163 C LYS A 80 -0.565 -17.471 -5.442 1.00 0.00 C ATOM 1164 O LYS A 80 -0.980 -17.525 -6.599 1.00 0.00 O ATOM 1165 CB LYS A 80 1.853 -16.635 -5.319 1.00 0.00 C ATOM 1166 CG LYS A 80 2.259 -18.026 -4.828 1.00 0.00 C ATOM 1167 CD LYS A 80 3.633 -18.420 -5.372 1.00 0.00 C ATOM 1168 CE LYS A 80 3.523 -19.606 -6.332 1.00 0.00 C ATOM 1169 NZ LYS A 80 3.741 -20.880 -5.611 1.00 0.00 N ATOM 0 H LYS A 80 1.059 -16.127 -3.039 1.00 0.00 H new ATOM 0 HA LYS A 80 0.122 -15.468 -5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.023 -16.561 -6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.481 -15.881 -4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.278 -18.040 -3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.516 -18.758 -5.143 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.081 -17.571 -5.888 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.295 -18.677 -4.545 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.539 -19.611 -6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.257 -19.504 -7.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.663 -21.674 -6.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.689 -20.879 -5.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.025 -20.983 -4.864 1.00 0.00 H new ATOM 1183 N ASP A 81 -0.880 -18.338 -4.491 1.00 0.00 N ATOM 1184 CA ASP A 81 -1.770 -19.454 -4.760 1.00 0.00 C ATOM 1185 C ASP A 81 -3.203 -18.935 -4.901 1.00 0.00 C ATOM 1186 O ASP A 81 -4.046 -19.589 -5.513 1.00 0.00 O ATOM 1187 CB ASP A 81 -1.746 -20.467 -3.613 1.00 0.00 C ATOM 1188 CG ASP A 81 -0.365 -21.038 -3.284 1.00 0.00 C ATOM 1189 OD1 ASP A 81 0.518 -20.928 -4.162 1.00 0.00 O ATOM 1190 OD2 ASP A 81 -0.224 -21.571 -2.163 1.00 0.00 O ATOM 0 H ASP A 81 -0.534 -18.290 -3.533 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.435 -19.939 -5.677 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.148 -19.991 -2.719 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.414 -21.292 -3.862 1.00 0.00 H new ATOM 1195 N VAL A 82 -3.434 -17.764 -4.326 1.00 0.00 N ATOM 1196 CA VAL A 82 -4.749 -17.150 -4.380 1.00 0.00 C ATOM 1197 C VAL A 82 -4.693 -15.913 -5.279 1.00 0.00 C ATOM 1198 O VAL A 82 -3.655 -15.615 -5.867 1.00 0.00 O ATOM 1199 CB VAL A 82 -5.241 -16.839 -2.965 1.00 0.00 C ATOM 1200 CG1 VAL A 82 -4.678 -17.842 -1.956 1.00 0.00 C ATOM 1201 CG2 VAL A 82 -4.890 -15.404 -2.566 1.00 0.00 C ATOM 0 H VAL A 82 -2.732 -17.224 -3.820 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.473 -17.837 -4.817 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.327 -16.932 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.043 -17.598 -0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.000 -18.848 -2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.589 -17.795 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.251 -15.209 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.808 -15.272 -2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.360 -14.708 -3.260 1.00 0.00 H new ATOM 1211 N GLY A 83 -5.824 -15.227 -5.358 1.00 0.00 N ATOM 1212 CA GLY A 83 -5.916 -14.029 -6.175 1.00 0.00 C ATOM 1213 C GLY A 83 -6.514 -12.867 -5.379 1.00 0.00 C ATOM 1214 O GLY A 83 -7.249 -13.082 -4.417 1.00 0.00 O ATOM 0 H GLY A 83 -6.684 -15.478 -4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.925 -13.755 -6.537 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.532 -14.229 -7.052 1.00 0.00 H new ATOM 1218 N THR A 84 -6.176 -11.660 -5.811 1.00 0.00 N ATOM 1219 CA THR A 84 -6.670 -10.464 -5.151 1.00 0.00 C ATOM 1220 C THR A 84 -8.114 -10.668 -4.687 1.00 0.00 C ATOM 1221 O THR A 84 -8.524 -10.126 -3.662 1.00 0.00 O ATOM 1222 CB THR A 84 -6.503 -9.288 -6.115 1.00 0.00 C ATOM 1223 OG1 THR A 84 -7.061 -9.760 -7.338 1.00 0.00 O ATOM 1224 CG2 THR A 84 -5.036 -9.016 -6.456 1.00 0.00 C ATOM 0 H THR A 84 -5.566 -11.485 -6.610 1.00 0.00 H new ATOM 0 HA THR A 84 -6.099 -10.247 -4.248 1.00 0.00 H new ATOM 0 HB THR A 84 -6.947 -8.394 -5.678 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.996 -9.059 -8.019 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.973 -8.172 -7.143 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.487 -8.783 -5.543 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.602 -9.899 -6.925 1.00 0.00 H new ATOM 1232 N GLU A 85 -8.846 -11.453 -5.464 1.00 0.00 N ATOM 1233 CA GLU A 85 -10.235 -11.736 -5.146 1.00 0.00 C ATOM 1234 C GLU A 85 -10.384 -13.176 -4.653 1.00 0.00 C ATOM 1235 O GLU A 85 -10.817 -14.051 -5.402 1.00 0.00 O ATOM 1236 CB GLU A 85 -11.138 -11.473 -6.353 1.00 0.00 C ATOM 1237 CG GLU A 85 -10.466 -11.928 -7.650 1.00 0.00 C ATOM 1238 CD GLU A 85 -11.445 -11.872 -8.825 1.00 0.00 C ATOM 1239 OE1 GLU A 85 -11.692 -10.744 -9.304 1.00 0.00 O ATOM 1240 OE2 GLU A 85 -11.925 -12.957 -9.217 1.00 0.00 O ATOM 0 H GLU A 85 -8.503 -11.902 -6.313 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.548 -11.065 -4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.084 -11.999 -6.225 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.370 -10.410 -6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.605 -11.294 -7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.092 -12.945 -7.532 1.00 0.00 H new ATOM 1247 N ASP A 86 -10.018 -13.378 -3.396 1.00 0.00 N ATOM 1248 CA ASP A 86 -10.105 -14.698 -2.794 1.00 0.00 C ATOM 1249 C ASP A 86 -9.989 -14.569 -1.274 1.00 0.00 C ATOM 1250 O ASP A 86 -10.973 -14.737 -0.556 1.00 0.00 O ATOM 1251 CB ASP A 86 -8.970 -15.601 -3.280 1.00 0.00 C ATOM 1252 CG ASP A 86 -9.420 -16.874 -3.999 1.00 0.00 C ATOM 1253 OD1 ASP A 86 -10.623 -16.943 -4.332 1.00 0.00 O ATOM 1254 OD2 ASP A 86 -8.551 -17.750 -4.201 1.00 0.00 O ATOM 0 H ASP A 86 -9.661 -12.650 -2.778 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.061 -15.136 -3.079 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.332 -15.028 -3.953 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.358 -15.883 -2.423 1.00 0.00 H new ATOM 1259 N ASP A 87 -8.777 -14.270 -0.828 1.00 0.00 N ATOM 1260 CA ASP A 87 -8.519 -14.117 0.593 1.00 0.00 C ATOM 1261 C ASP A 87 -7.235 -13.309 0.790 1.00 0.00 C ATOM 1262 O ASP A 87 -6.146 -13.778 0.463 1.00 0.00 O ATOM 1263 CB ASP A 87 -8.331 -15.476 1.269 1.00 0.00 C ATOM 1264 CG ASP A 87 -9.480 -15.910 2.182 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -9.621 -15.282 3.254 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -10.191 -16.859 1.787 1.00 0.00 O ATOM 0 H ASP A 87 -7.963 -14.130 -1.427 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.375 -13.609 1.038 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.195 -16.233 0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.412 -15.449 1.855 1.00 0.00 H new ATOM 1271 N ALA A 88 -7.405 -12.108 1.323 1.00 0.00 N ATOM 1272 CA ALA A 88 -6.272 -11.231 1.567 1.00 0.00 C ATOM 1273 C ALA A 88 -5.717 -11.499 2.968 1.00 0.00 C ATOM 1274 O ALA A 88 -6.403 -11.277 3.964 1.00 0.00 O ATOM 1275 CB ALA A 88 -6.705 -9.775 1.381 1.00 0.00 C ATOM 0 H ALA A 88 -8.310 -11.722 1.593 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.473 -11.428 0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.856 -9.117 1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.064 -9.630 0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.504 -9.540 2.084 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.480 -11.973 2.998 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.825 -12.274 4.260 1.00 0.00 C ATOM 1283 C VAL A 89 -3.994 -11.089 5.212 1.00 0.00 C ATOM 1284 O VAL A 89 -4.024 -11.266 6.429 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.360 -12.640 4.014 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -2.217 -14.121 3.658 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -1.748 -11.754 2.927 1.00 0.00 C ATOM 0 H VAL A 89 -3.914 -12.156 2.169 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.287 -13.140 4.734 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.811 -12.463 4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.166 -14.355 3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.596 -14.731 4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.787 -14.334 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.706 -12.035 2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.301 -11.884 1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.800 -10.710 3.237 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.100 -9.907 4.623 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.264 -8.693 5.404 1.00 0.00 C ATOM 1299 C GLY A 90 -4.277 -7.458 4.501 1.00 0.00 C ATOM 1300 O GLY A 90 -4.090 -7.567 3.291 1.00 0.00 O ATOM 0 H GLY A 90 -4.075 -9.764 3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.194 -8.744 5.970 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.454 -8.610 6.128 1.00 0.00 H new ATOM 1304 N GLU A 91 -4.500 -6.311 5.126 1.00 0.00 N ATOM 1305 CA GLU A 91 -4.540 -5.056 4.394 1.00 0.00 C ATOM 1306 C GLU A 91 -4.049 -3.909 5.280 1.00 0.00 C ATOM 1307 O GLU A 91 -3.898 -4.075 6.489 1.00 0.00 O ATOM 1308 CB GLU A 91 -5.947 -4.775 3.863 1.00 0.00 C ATOM 1309 CG GLU A 91 -6.825 -4.140 4.944 1.00 0.00 C ATOM 1310 CD GLU A 91 -7.018 -2.645 4.685 1.00 0.00 C ATOM 1311 OE1 GLU A 91 -7.575 -2.323 3.613 1.00 0.00 O ATOM 1312 OE2 GLU A 91 -6.605 -1.858 5.564 1.00 0.00 O ATOM 0 H GLU A 91 -4.655 -6.224 6.130 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.873 -5.137 3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.888 -4.111 3.001 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.402 -5.704 3.519 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.795 -4.637 4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.367 -4.287 5.922 1.00 0.00 H new ATOM 1319 N ALA A 92 -3.815 -2.771 4.643 1.00 0.00 N ATOM 1320 CA ALA A 92 -3.344 -1.597 5.358 1.00 0.00 C ATOM 1321 C ALA A 92 -3.917 -0.340 4.700 1.00 0.00 C ATOM 1322 O ALA A 92 -4.181 -0.330 3.498 1.00 0.00 O ATOM 1323 CB ALA A 92 -1.815 -1.595 5.386 1.00 0.00 C ATOM 0 H ALA A 92 -3.943 -2.637 3.640 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.689 -1.614 6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.462 -0.714 5.922 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.459 -2.494 5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.432 -1.576 4.366 1.00 0.00 H new ATOM 1329 N THR A 93 -4.092 0.689 5.515 1.00 0.00 N ATOM 1330 CA THR A 93 -4.629 1.948 5.026 1.00 0.00 C ATOM 1331 C THR A 93 -3.527 3.007 4.960 1.00 0.00 C ATOM 1332 O THR A 93 -3.005 3.431 5.990 1.00 0.00 O ATOM 1333 CB THR A 93 -5.799 2.345 5.928 1.00 0.00 C ATOM 1334 OG1 THR A 93 -6.814 1.393 5.619 1.00 0.00 O ATOM 1335 CG2 THR A 93 -6.415 3.688 5.531 1.00 0.00 C ATOM 0 H THR A 93 -3.872 0.677 6.511 1.00 0.00 H new ATOM 0 HA THR A 93 -5.004 1.849 4.007 1.00 0.00 H new ATOM 0 HB THR A 93 -5.459 2.393 6.963 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.610 1.576 6.161 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.241 3.922 6.203 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.658 4.470 5.599 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.785 3.630 4.507 1.00 0.00 H new ATOM 1343 N ILE A 94 -3.205 3.405 3.737 1.00 0.00 N ATOM 1344 CA ILE A 94 -2.175 4.406 3.523 1.00 0.00 C ATOM 1345 C ILE A 94 -2.828 5.716 3.077 1.00 0.00 C ATOM 1346 O ILE A 94 -3.203 5.863 1.915 1.00 0.00 O ATOM 1347 CB ILE A 94 -1.116 3.885 2.550 1.00 0.00 C ATOM 1348 CG1 ILE A 94 -0.443 2.624 3.096 1.00 0.00 C ATOM 1349 CG2 ILE A 94 -0.098 4.977 2.211 1.00 0.00 C ATOM 1350 CD1 ILE A 94 -0.505 1.485 2.077 1.00 0.00 C ATOM 0 H ILE A 94 -3.640 3.052 2.885 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.646 4.613 4.453 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.613 3.608 1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.597 2.840 3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.933 2.317 4.020 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.644 4.580 1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.610 5.822 1.750 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.398 5.308 3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.020 0.601 2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.546 1.255 1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.007 1.786 1.163 1.00 0.00 H new ATOM 1362 N PRO A 95 -2.948 6.659 4.050 1.00 0.00 N ATOM 1363 CA PRO A 95 -3.549 7.952 3.769 1.00 0.00 C ATOM 1364 C PRO A 95 -2.590 8.842 2.976 1.00 0.00 C ATOM 1365 O PRO A 95 -1.391 8.866 3.249 1.00 0.00 O ATOM 1366 CB PRO A 95 -3.902 8.525 5.132 1.00 0.00 C ATOM 1367 CG PRO A 95 -3.070 7.748 6.140 1.00 0.00 C ATOM 1368 CD PRO A 95 -2.515 6.520 5.437 1.00 0.00 C ATOM 0 HA PRO A 95 -4.437 7.876 3.141 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.676 9.590 5.178 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.967 8.416 5.338 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.259 8.367 6.524 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.680 7.456 6.995 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.428 6.479 5.510 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.899 5.602 5.882 1.00 0.00 H new ATOM 1376 N LEU A 96 -3.155 9.552 2.010 1.00 0.00 N ATOM 1377 CA LEU A 96 -2.365 10.441 1.176 1.00 0.00 C ATOM 1378 C LEU A 96 -2.490 11.872 1.702 1.00 0.00 C ATOM 1379 O LEU A 96 -2.014 12.814 1.070 1.00 0.00 O ATOM 1380 CB LEU A 96 -2.761 10.289 -0.294 1.00 0.00 C ATOM 1381 CG LEU A 96 -3.012 8.859 -0.777 1.00 0.00 C ATOM 1382 CD1 LEU A 96 -3.741 8.855 -2.122 1.00 0.00 C ATOM 1383 CD2 LEU A 96 -1.707 8.062 -0.829 1.00 0.00 C ATOM 0 H LEU A 96 -4.150 9.529 1.787 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.310 10.174 1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.664 10.874 -0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.974 10.726 -0.909 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.663 8.364 -0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.907 7.827 -2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.700 9.362 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.136 9.374 -2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.913 7.049 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.012 8.546 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.265 8.022 0.167 1.00 0.00 H new ATOM 1395 N GLU A 97 -3.134 11.991 2.854 1.00 0.00 N ATOM 1396 CA GLU A 97 -3.329 13.292 3.472 1.00 0.00 C ATOM 1397 C GLU A 97 -1.980 13.903 3.856 1.00 0.00 C ATOM 1398 O GLU A 97 -1.760 15.099 3.666 1.00 0.00 O ATOM 1399 CB GLU A 97 -4.250 13.188 4.689 1.00 0.00 C ATOM 1400 CG GLU A 97 -5.306 14.295 4.673 1.00 0.00 C ATOM 1401 CD GLU A 97 -6.101 14.314 5.980 1.00 0.00 C ATOM 1402 OE1 GLU A 97 -5.471 14.064 7.031 1.00 0.00 O ATOM 1403 OE2 GLU A 97 -7.320 14.578 5.899 1.00 0.00 O ATOM 0 H GLU A 97 -3.527 11.208 3.376 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.811 13.949 2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.739 12.214 4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.660 13.256 5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.823 15.261 4.523 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.984 14.144 3.833 1.00 0.00 H new ATOM 1410 N PRO A 98 -1.089 13.033 4.403 1.00 0.00 N ATOM 1411 CA PRO A 98 0.232 13.476 4.816 1.00 0.00 C ATOM 1412 C PRO A 98 1.140 13.697 3.603 1.00 0.00 C ATOM 1413 O PRO A 98 2.053 14.520 3.649 1.00 0.00 O ATOM 1414 CB PRO A 98 0.739 12.386 5.746 1.00 0.00 C ATOM 1415 CG PRO A 98 -0.113 11.161 5.457 1.00 0.00 C ATOM 1416 CD PRO A 98 -1.315 11.611 4.643 1.00 0.00 C ATOM 0 HA PRO A 98 0.213 14.439 5.326 1.00 0.00 H new ATOM 0 HB2 PRO A 98 1.794 12.179 5.566 1.00 0.00 H new ATOM 0 HB3 PRO A 98 0.647 12.689 6.789 1.00 0.00 H new ATOM 0 HG2 PRO A 98 0.463 10.416 4.908 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.435 10.692 6.387 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.388 11.058 3.706 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -2.246 11.444 5.185 1.00 0.00 H new ATOM 1424 N VAL A 99 0.857 12.947 2.548 1.00 0.00 N ATOM 1425 CA VAL A 99 1.636 13.050 1.326 1.00 0.00 C ATOM 1426 C VAL A 99 1.091 14.199 0.475 1.00 0.00 C ATOM 1427 O VAL A 99 1.643 14.511 -0.579 1.00 0.00 O ATOM 1428 CB VAL A 99 1.636 11.709 0.591 1.00 0.00 C ATOM 1429 CG1 VAL A 99 0.472 11.626 -0.398 1.00 0.00 C ATOM 1430 CG2 VAL A 99 2.973 11.470 -0.115 1.00 0.00 C ATOM 0 H VAL A 99 0.099 12.265 2.514 1.00 0.00 H new ATOM 0 HA VAL A 99 2.677 13.280 1.554 1.00 0.00 H new ATOM 0 HB VAL A 99 1.503 10.921 1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.495 10.663 -0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.470 11.730 0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.561 12.427 -1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.946 10.510 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.149 12.265 -0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.777 11.465 0.621 1.00 0.00 H new ATOM 1440 N PHE A 100 0.015 14.797 0.964 1.00 0.00 N ATOM 1441 CA PHE A 100 -0.611 15.904 0.261 1.00 0.00 C ATOM 1442 C PHE A 100 -0.199 17.245 0.873 1.00 0.00 C ATOM 1443 O PHE A 100 -0.244 18.276 0.204 1.00 0.00 O ATOM 1444 CB PHE A 100 -2.124 15.732 0.412 1.00 0.00 C ATOM 1445 CG PHE A 100 -2.767 14.893 -0.694 1.00 0.00 C ATOM 1446 CD1 PHE A 100 -2.374 15.054 -1.986 1.00 0.00 C ATOM 1447 CD2 PHE A 100 -3.733 13.986 -0.385 1.00 0.00 C ATOM 1448 CE1 PHE A 100 -2.972 14.275 -3.012 1.00 0.00 C ATOM 1449 CE2 PHE A 100 -4.330 13.207 -1.411 1.00 0.00 C ATOM 1450 CZ PHE A 100 -3.937 13.368 -2.703 1.00 0.00 C ATOM 0 H PHE A 100 -0.440 14.536 1.839 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.304 15.902 -0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.332 15.266 1.375 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.592 16.716 0.426 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.607 15.774 -2.232 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.046 13.859 0.641 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.660 14.403 -4.038 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.096 12.487 -1.165 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.391 12.776 -3.483 1.00 0.00 H new ATOM 1460 N VAL A 101 0.193 17.186 2.137 1.00 0.00 N ATOM 1461 CA VAL A 101 0.613 18.383 2.846 1.00 0.00 C ATOM 1462 C VAL A 101 2.140 18.402 2.946 1.00 0.00 C ATOM 1463 O VAL A 101 2.752 19.469 2.943 1.00 0.00 O ATOM 1464 CB VAL A 101 -0.076 18.451 4.211 1.00 0.00 C ATOM 1465 CG1 VAL A 101 -1.528 17.978 4.116 1.00 0.00 C ATOM 1466 CG2 VAL A 101 0.696 17.645 5.256 1.00 0.00 C ATOM 0 H VAL A 101 0.229 16.329 2.688 1.00 0.00 H new ATOM 0 HA VAL A 101 0.312 19.276 2.299 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.083 19.493 4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.995 18.036 5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.073 18.613 3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.552 16.947 3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.185 17.710 6.216 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.750 16.602 4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.704 18.047 5.354 1.00 0.00 H new ATOM 1476 N GLU A 102 2.710 17.210 3.033 1.00 0.00 N ATOM 1477 CA GLU A 102 4.154 17.076 3.134 1.00 0.00 C ATOM 1478 C GLU A 102 4.787 17.099 1.741 1.00 0.00 C ATOM 1479 O GLU A 102 5.875 17.644 1.559 1.00 0.00 O ATOM 1480 CB GLU A 102 4.535 15.801 3.888 1.00 0.00 C ATOM 1481 CG GLU A 102 3.931 15.795 5.294 1.00 0.00 C ATOM 1482 CD GLU A 102 4.959 16.246 6.334 1.00 0.00 C ATOM 1483 OE1 GLU A 102 6.153 15.946 6.120 1.00 0.00 O ATOM 1484 OE2 GLU A 102 4.526 16.882 7.320 1.00 0.00 O ATOM 0 H GLU A 102 2.199 16.327 3.036 1.00 0.00 H new ATOM 0 HA GLU A 102 4.539 17.923 3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.186 14.929 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.620 15.724 3.954 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.064 16.455 5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.577 14.793 5.538 1.00 0.00 H new ATOM 1491 N GLY A 103 4.080 16.502 0.794 1.00 0.00 N ATOM 1492 CA GLY A 103 4.560 16.447 -0.576 1.00 0.00 C ATOM 1493 C GLY A 103 5.404 15.193 -0.812 1.00 0.00 C ATOM 1494 O GLY A 103 5.751 14.879 -1.950 1.00 0.00 O ATOM 0 H GLY A 103 3.178 16.052 0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.713 16.454 -1.262 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.153 17.335 -0.793 1.00 0.00 H new ATOM 1498 N SER A 104 5.709 14.510 0.281 1.00 0.00 N ATOM 1499 CA SER A 104 6.506 13.297 0.208 1.00 0.00 C ATOM 1500 C SER A 104 6.586 12.639 1.587 1.00 0.00 C ATOM 1501 O SER A 104 7.021 13.265 2.553 1.00 0.00 O ATOM 1502 CB SER A 104 7.911 13.592 -0.322 1.00 0.00 C ATOM 1503 OG SER A 104 8.624 14.488 0.526 1.00 0.00 O ATOM 0 H SER A 104 5.419 14.773 1.223 1.00 0.00 H new ATOM 0 HA SER A 104 6.022 12.611 -0.487 1.00 0.00 H new ATOM 0 HB2 SER A 104 8.467 12.659 -0.413 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.839 14.019 -1.322 1.00 0.00 H new ATOM 0 HG SER A 104 8.290 14.405 1.444 1.00 0.00 H new ATOM 1509 N ILE A 105 6.160 11.385 1.635 1.00 0.00 N ATOM 1510 CA ILE A 105 6.178 10.636 2.879 1.00 0.00 C ATOM 1511 C ILE A 105 7.223 9.522 2.784 1.00 0.00 C ATOM 1512 O ILE A 105 7.358 8.880 1.744 1.00 0.00 O ATOM 1513 CB ILE A 105 4.774 10.135 3.223 1.00 0.00 C ATOM 1514 CG1 ILE A 105 3.777 11.293 3.281 1.00 0.00 C ATOM 1515 CG2 ILE A 105 4.785 9.322 4.520 1.00 0.00 C ATOM 1516 CD1 ILE A 105 4.282 12.406 4.202 1.00 0.00 C ATOM 0 H ILE A 105 5.800 10.869 0.832 1.00 0.00 H new ATOM 0 HA ILE A 105 6.473 11.280 3.707 1.00 0.00 H new ATOM 0 HB ILE A 105 4.445 9.467 2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.617 11.690 2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.813 10.930 3.638 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.775 8.978 4.742 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.445 8.462 4.405 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.143 9.947 5.338 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.554 13.217 4.225 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.418 12.011 5.209 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.234 12.783 3.829 1.00 0.00 H new ATOM 1528 N PRO A 106 7.954 9.322 3.913 1.00 0.00 N ATOM 1529 CA PRO A 106 8.983 8.297 3.966 1.00 0.00 C ATOM 1530 C PRO A 106 8.362 6.903 4.080 1.00 0.00 C ATOM 1531 O PRO A 106 7.157 6.771 4.290 1.00 0.00 O ATOM 1532 CB PRO A 106 9.842 8.664 5.165 1.00 0.00 C ATOM 1533 CG PRO A 106 8.998 9.605 6.010 1.00 0.00 C ATOM 1534 CD PRO A 106 7.822 10.063 5.164 1.00 0.00 C ATOM 0 HA PRO A 106 9.585 8.258 3.058 1.00 0.00 H new ATOM 0 HB2 PRO A 106 10.122 7.776 5.731 1.00 0.00 H new ATOM 0 HB3 PRO A 106 10.767 9.146 4.850 1.00 0.00 H new ATOM 0 HG2 PRO A 106 8.647 9.099 6.910 1.00 0.00 H new ATOM 0 HG3 PRO A 106 9.590 10.460 6.336 1.00 0.00 H new ATOM 0 HD2 PRO A 106 6.873 9.846 5.654 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.853 11.139 4.992 1.00 0.00 H new ATOM 1542 N PRO A 107 9.235 5.871 3.931 1.00 0.00 N ATOM 1543 CA PRO A 107 8.786 4.492 4.014 1.00 0.00 C ATOM 1544 C PRO A 107 8.507 4.093 5.465 1.00 0.00 C ATOM 1545 O PRO A 107 9.433 3.810 6.223 1.00 0.00 O ATOM 1546 CB PRO A 107 9.898 3.676 3.377 1.00 0.00 C ATOM 1547 CG PRO A 107 11.127 4.572 3.381 1.00 0.00 C ATOM 1548 CD PRO A 107 10.669 5.990 3.680 1.00 0.00 C ATOM 0 HA PRO A 107 7.842 4.325 3.495 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.081 2.760 3.938 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.633 3.380 2.362 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.842 4.236 4.132 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.633 4.530 2.417 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.190 6.400 4.545 1.00 0.00 H new ATOM 0 HD3 PRO A 107 10.870 6.656 2.841 1.00 0.00 H new ATOM 1556 N THR A 108 7.227 4.082 5.807 1.00 0.00 N ATOM 1557 CA THR A 108 6.815 3.722 7.153 1.00 0.00 C ATOM 1558 C THR A 108 5.972 2.446 7.129 1.00 0.00 C ATOM 1559 O THR A 108 5.279 2.174 6.150 1.00 0.00 O ATOM 1560 CB THR A 108 6.085 4.922 7.760 1.00 0.00 C ATOM 1561 OG1 THR A 108 7.128 5.715 8.322 1.00 0.00 O ATOM 1562 CG2 THR A 108 5.222 4.534 8.963 1.00 0.00 C ATOM 0 H THR A 108 6.461 4.317 5.175 1.00 0.00 H new ATOM 0 HA THR A 108 7.675 3.494 7.783 1.00 0.00 H new ATOM 0 HB THR A 108 5.459 5.389 7.000 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.743 6.516 8.736 1.00 0.00 H new ATOM 0 HG21 THR A 108 4.726 5.421 9.356 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.472 3.806 8.653 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.853 4.098 9.738 1.00 0.00 H new ATOM 1570 N ALA A 109 6.058 1.698 8.219 1.00 0.00 N ATOM 1571 CA ALA A 109 5.311 0.457 8.336 1.00 0.00 C ATOM 1572 C ALA A 109 3.886 0.765 8.799 1.00 0.00 C ATOM 1573 O ALA A 109 3.663 1.074 9.969 1.00 0.00 O ATOM 1574 CB ALA A 109 6.042 -0.491 9.289 1.00 0.00 C ATOM 0 H ALA A 109 6.634 1.927 9.029 1.00 0.00 H new ATOM 0 HA ALA A 109 5.242 -0.042 7.369 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.482 -1.422 9.377 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.038 -0.702 8.899 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.128 -0.025 10.271 1.00 0.00 H new ATOM 1580 N TYR A 110 2.959 0.671 7.858 1.00 0.00 N ATOM 1581 CA TYR A 110 1.561 0.937 8.155 1.00 0.00 C ATOM 1582 C TYR A 110 0.891 -0.288 8.780 1.00 0.00 C ATOM 1583 O TYR A 110 1.107 -1.414 8.333 1.00 0.00 O ATOM 1584 CB TYR A 110 0.894 1.238 6.812 1.00 0.00 C ATOM 1585 CG TYR A 110 1.395 2.519 6.141 1.00 0.00 C ATOM 1586 CD1 TYR A 110 1.036 3.750 6.651 1.00 0.00 C ATOM 1587 CD2 TYR A 110 2.207 2.443 5.027 1.00 0.00 C ATOM 1588 CE1 TYR A 110 1.508 4.956 6.020 1.00 0.00 C ATOM 1589 CE2 TYR A 110 2.678 3.648 4.396 1.00 0.00 C ATOM 1590 CZ TYR A 110 2.305 4.845 4.924 1.00 0.00 C ATOM 1591 OH TYR A 110 2.751 5.984 4.328 1.00 0.00 O ATOM 0 H TYR A 110 3.148 0.414 6.889 1.00 0.00 H new ATOM 0 HA TYR A 110 1.469 1.762 8.861 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.062 0.398 6.138 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.183 1.316 6.962 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.401 3.809 7.523 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.489 1.479 4.629 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.235 5.926 6.409 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.313 3.603 3.523 1.00 0.00 H new ATOM 0 HH TYR A 110 3.311 5.752 3.558 1.00 0.00 H new ATOM 1601 N ASN A 111 0.092 -0.028 9.805 1.00 0.00 N ATOM 1602 CA ASN A 111 -0.610 -1.096 10.496 1.00 0.00 C ATOM 1603 C ASN A 111 -1.353 -1.957 9.473 1.00 0.00 C ATOM 1604 O ASN A 111 -2.106 -1.439 8.649 1.00 0.00 O ATOM 1605 CB ASN A 111 -1.641 -0.532 11.476 1.00 0.00 C ATOM 1606 CG ASN A 111 -1.063 0.647 12.262 1.00 0.00 C ATOM 1607 OD1 ASN A 111 0.055 1.083 12.043 1.00 0.00 O ATOM 1608 ND2 ASN A 111 -1.885 1.136 13.185 1.00 0.00 N ATOM 0 H ASN A 111 -0.085 0.907 10.173 1.00 0.00 H new ATOM 0 HA ASN A 111 0.126 -1.684 11.044 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.528 -0.210 10.931 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.957 -1.314 12.166 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.592 1.924 13.762 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -2.808 0.723 13.316 1.00 0.00 H new ATOM 1615 N VAL A 112 -1.116 -3.258 9.558 1.00 0.00 N ATOM 1616 CA VAL A 112 -1.753 -4.196 8.650 1.00 0.00 C ATOM 1617 C VAL A 112 -2.726 -5.078 9.435 1.00 0.00 C ATOM 1618 O VAL A 112 -2.307 -5.913 10.234 1.00 0.00 O ATOM 1619 CB VAL A 112 -0.690 -5.001 7.898 1.00 0.00 C ATOM 1620 CG1 VAL A 112 -1.312 -6.211 7.199 1.00 0.00 C ATOM 1621 CG2 VAL A 112 0.062 -4.118 6.901 1.00 0.00 C ATOM 0 H VAL A 112 -0.491 -3.684 10.242 1.00 0.00 H new ATOM 0 HA VAL A 112 -2.332 -3.664 7.896 1.00 0.00 H new ATOM 0 HB VAL A 112 0.030 -5.370 8.628 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.536 -6.766 6.672 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -1.781 -6.858 7.940 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -2.063 -5.873 6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.811 -4.714 6.380 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.641 -3.706 6.177 1.00 0.00 H new ATOM 0 HG23 VAL A 112 0.553 -3.304 7.434 1.00 0.00 H new ATOM 1631 N VAL A 113 -4.008 -4.861 9.179 1.00 0.00 N ATOM 1632 CA VAL A 113 -5.045 -5.626 9.852 1.00 0.00 C ATOM 1633 C VAL A 113 -5.682 -6.599 8.857 1.00 0.00 C ATOM 1634 O VAL A 113 -5.397 -6.545 7.662 1.00 0.00 O ATOM 1635 CB VAL A 113 -6.060 -4.679 10.495 1.00 0.00 C ATOM 1636 CG1 VAL A 113 -5.753 -4.473 11.980 1.00 0.00 C ATOM 1637 CG2 VAL A 113 -6.107 -3.341 9.754 1.00 0.00 C ATOM 0 H VAL A 113 -4.352 -4.167 8.515 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.618 -6.220 10.660 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.045 -5.140 10.417 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.489 -3.796 12.413 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.794 -5.432 12.496 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.757 -4.044 12.090 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.836 -2.686 10.231 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.123 -2.873 9.786 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.395 -3.510 8.716 1.00 0.00 H new ATOM 1647 N LYS A 114 -6.532 -7.465 9.388 1.00 0.00 N ATOM 1648 CA LYS A 114 -7.212 -8.448 8.561 1.00 0.00 C ATOM 1649 C LYS A 114 -8.606 -8.712 9.133 1.00 0.00 C ATOM 1650 O LYS A 114 -8.779 -9.589 9.979 1.00 0.00 O ATOM 1651 CB LYS A 114 -6.358 -9.709 8.417 1.00 0.00 C ATOM 1652 CG LYS A 114 -7.180 -10.866 7.845 1.00 0.00 C ATOM 1653 CD LYS A 114 -7.822 -10.476 6.512 1.00 0.00 C ATOM 1654 CE LYS A 114 -8.658 -11.627 5.949 1.00 0.00 C ATOM 1655 NZ LYS A 114 -9.960 -11.128 5.453 1.00 0.00 N ATOM 0 H LYS A 114 -6.766 -7.507 10.380 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.349 -8.066 7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.509 -9.505 7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.953 -9.991 9.389 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.540 -11.737 7.703 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.955 -11.153 8.556 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.453 -9.598 6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.046 -10.202 5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.116 -12.115 5.139 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.820 -12.378 6.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -10.515 -11.922 5.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.482 -10.683 6.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.800 -10.428 4.701 1.00 0.00 H new ATOM 1669 N ASP A 115 -9.566 -7.938 8.649 1.00 0.00 N ATOM 1670 CA ASP A 115 -10.940 -8.077 9.102 1.00 0.00 C ATOM 1671 C ASP A 115 -11.151 -7.217 10.349 1.00 0.00 C ATOM 1672 O ASP A 115 -12.272 -6.798 10.636 1.00 0.00 O ATOM 1673 CB ASP A 115 -11.254 -9.528 9.469 1.00 0.00 C ATOM 1674 CG ASP A 115 -12.703 -9.957 9.231 1.00 0.00 C ATOM 1675 OD1 ASP A 115 -13.502 -9.072 8.853 1.00 0.00 O ATOM 1676 OD2 ASP A 115 -12.980 -11.159 9.432 1.00 0.00 O ATOM 0 H ASP A 115 -9.420 -7.212 7.947 1.00 0.00 H new ATOM 0 HA ASP A 115 -11.596 -7.760 8.291 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.598 -10.182 8.894 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -11.014 -9.681 10.521 1.00 0.00 H new ATOM 1681 N GLU A 116 -10.057 -6.978 11.057 1.00 0.00 N ATOM 1682 CA GLU A 116 -10.108 -6.176 12.267 1.00 0.00 C ATOM 1683 C GLU A 116 -8.901 -6.478 13.156 1.00 0.00 C ATOM 1684 O GLU A 116 -8.522 -5.661 13.994 1.00 0.00 O ATOM 1685 CB GLU A 116 -11.418 -6.407 13.023 1.00 0.00 C ATOM 1686 CG GLU A 116 -11.744 -7.899 13.111 1.00 0.00 C ATOM 1687 CD GLU A 116 -12.338 -8.251 14.477 1.00 0.00 C ATOM 1688 OE1 GLU A 116 -13.565 -8.068 14.626 1.00 0.00 O ATOM 1689 OE2 GLU A 116 -11.551 -8.695 15.340 1.00 0.00 O ATOM 0 H GLU A 116 -9.129 -7.326 10.815 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.071 -5.124 11.984 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.342 -5.988 14.026 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -12.230 -5.883 12.519 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.448 -8.168 12.324 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.839 -8.483 12.942 1.00 0.00 H new ATOM 1696 N GLU A 117 -8.329 -7.654 12.943 1.00 0.00 N ATOM 1697 CA GLU A 117 -7.172 -8.075 13.715 1.00 0.00 C ATOM 1698 C GLU A 117 -5.885 -7.564 13.064 1.00 0.00 C ATOM 1699 O GLU A 117 -5.841 -7.347 11.854 1.00 0.00 O ATOM 1700 CB GLU A 117 -7.141 -9.597 13.871 1.00 0.00 C ATOM 1701 CG GLU A 117 -7.379 -10.004 15.327 1.00 0.00 C ATOM 1702 CD GLU A 117 -6.395 -9.298 16.262 1.00 0.00 C ATOM 1703 OE1 GLU A 117 -5.190 -9.613 16.160 1.00 0.00 O ATOM 1704 OE2 GLU A 117 -6.870 -8.459 17.057 1.00 0.00 O ATOM 0 H GLU A 117 -8.645 -8.329 12.247 1.00 0.00 H new ATOM 0 HA GLU A 117 -7.248 -7.642 14.712 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.903 -10.047 13.235 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -6.178 -9.981 13.535 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -8.401 -9.757 15.615 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -7.272 -11.084 15.429 1.00 0.00 H new ATOM 1711 N TYR A 118 -4.870 -7.386 13.896 1.00 0.00 N ATOM 1712 CA TYR A 118 -3.585 -6.904 13.417 1.00 0.00 C ATOM 1713 C TYR A 118 -2.712 -8.062 12.930 1.00 0.00 C ATOM 1714 O TYR A 118 -2.502 -9.033 13.656 1.00 0.00 O ATOM 1715 CB TYR A 118 -2.909 -6.240 14.618 1.00 0.00 C ATOM 1716 CG TYR A 118 -1.640 -5.461 14.265 1.00 0.00 C ATOM 1717 CD1 TYR A 118 -1.722 -4.328 13.480 1.00 0.00 C ATOM 1718 CD2 TYR A 118 -0.414 -5.890 14.732 1.00 0.00 C ATOM 1719 CE1 TYR A 118 -0.528 -3.595 13.148 1.00 0.00 C ATOM 1720 CE2 TYR A 118 0.779 -5.156 14.400 1.00 0.00 C ATOM 1721 CZ TYR A 118 0.664 -4.045 13.625 1.00 0.00 C ATOM 1722 OH TYR A 118 1.791 -3.352 13.311 1.00 0.00 O ATOM 0 H TYR A 118 -4.911 -7.567 14.899 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.720 -6.217 12.581 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.619 -5.563 15.093 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.660 -7.007 15.352 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.681 -3.992 13.115 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.350 -6.776 15.346 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -0.578 -2.708 12.534 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.744 -5.481 14.759 1.00 0.00 H new ATOM 0 HH TYR A 118 2.568 -3.788 13.720 1.00 0.00 H new ATOM 1732 N LYS A 119 -2.227 -7.922 11.706 1.00 0.00 N ATOM 1733 CA LYS A 119 -1.381 -8.944 11.114 1.00 0.00 C ATOM 1734 C LYS A 119 0.082 -8.509 11.211 1.00 0.00 C ATOM 1735 O LYS A 119 0.976 -9.345 11.338 1.00 0.00 O ATOM 1736 CB LYS A 119 -1.837 -9.257 9.687 1.00 0.00 C ATOM 1737 CG LYS A 119 -3.355 -9.435 9.623 1.00 0.00 C ATOM 1738 CD LYS A 119 -3.790 -10.703 10.359 1.00 0.00 C ATOM 1739 CE LYS A 119 -4.563 -10.360 11.633 1.00 0.00 C ATOM 1740 NZ LYS A 119 -4.064 -11.159 12.774 1.00 0.00 N ATOM 0 H LYS A 119 -2.404 -7.116 11.107 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.472 -9.880 11.665 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.533 -8.451 9.019 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.346 -10.164 9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.845 -8.568 10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.675 -9.486 8.582 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.413 -11.312 9.704 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.914 -11.300 10.611 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.460 -9.297 11.853 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.625 -10.553 11.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.869 -11.509 13.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.513 -11.966 12.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.459 -10.565 13.376 1.00 0.00 H new ATOM 1754 N GLY A 120 0.283 -7.201 11.146 1.00 0.00 N ATOM 1755 CA GLY A 120 1.622 -6.644 11.225 1.00 0.00 C ATOM 1756 C GLY A 120 1.657 -5.217 10.674 1.00 0.00 C ATOM 1757 O GLY A 120 0.714 -4.451 10.866 1.00 0.00 O ATOM 0 H GLY A 120 -0.460 -6.511 11.039 1.00 0.00 H new ATOM 0 HA2 GLY A 120 1.960 -6.646 12.261 1.00 0.00 H new ATOM 0 HA3 GLY A 120 2.314 -7.271 10.663 1.00 0.00 H new ATOM 1761 N GLU A 121 2.753 -4.903 10.000 1.00 0.00 N ATOM 1762 CA GLU A 121 2.923 -3.582 9.420 1.00 0.00 C ATOM 1763 C GLU A 121 3.464 -3.694 7.993 1.00 0.00 C ATOM 1764 O GLU A 121 4.194 -4.631 7.674 1.00 0.00 O ATOM 1765 CB GLU A 121 3.839 -2.715 10.286 1.00 0.00 C ATOM 1766 CG GLU A 121 5.114 -3.472 10.663 1.00 0.00 C ATOM 1767 CD GLU A 121 5.717 -2.921 11.957 1.00 0.00 C ATOM 1768 OE1 GLU A 121 4.977 -2.903 12.965 1.00 0.00 O ATOM 1769 OE2 GLU A 121 6.903 -2.531 11.909 1.00 0.00 O ATOM 0 H GLU A 121 3.533 -5.541 9.842 1.00 0.00 H new ATOM 0 HA GLU A 121 1.948 -3.096 9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.099 -1.803 9.748 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.311 -2.412 11.190 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.889 -4.532 10.785 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.841 -3.391 9.855 1.00 0.00 H new ATOM 1776 N ILE A 122 3.084 -2.725 7.172 1.00 0.00 N ATOM 1777 CA ILE A 122 3.522 -2.704 5.787 1.00 0.00 C ATOM 1778 C ILE A 122 4.324 -1.426 5.530 1.00 0.00 C ATOM 1779 O ILE A 122 3.818 -0.322 5.724 1.00 0.00 O ATOM 1780 CB ILE A 122 2.329 -2.881 4.845 1.00 0.00 C ATOM 1781 CG1 ILE A 122 2.791 -2.997 3.391 1.00 0.00 C ATOM 1782 CG2 ILE A 122 1.310 -1.756 5.034 1.00 0.00 C ATOM 1783 CD1 ILE A 122 1.605 -2.896 2.430 1.00 0.00 C ATOM 0 H ILE A 122 2.478 -1.949 7.440 1.00 0.00 H new ATOM 0 HA ILE A 122 4.186 -3.544 5.584 1.00 0.00 H new ATOM 0 HB ILE A 122 1.829 -3.815 5.099 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.511 -2.209 3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.304 -3.947 3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 122 0.472 -1.906 4.353 1.00 0.00 H new ATOM 0 HG22 ILE A 122 0.947 -1.762 6.062 1.00 0.00 H new ATOM 0 HG23 ILE A 122 1.783 -0.797 4.822 1.00 0.00 H new ATOM 0 HD11 ILE A 122 1.960 -2.981 1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 122 0.899 -3.700 2.638 1.00 0.00 H new ATOM 0 HD13 ILE A 122 1.109 -1.934 2.564 1.00 0.00 H new ATOM 1795 N TRP A 123 5.562 -1.620 5.098 1.00 0.00 N ATOM 1796 CA TRP A 123 6.438 -0.497 4.812 1.00 0.00 C ATOM 1797 C TRP A 123 6.136 -0.010 3.394 1.00 0.00 C ATOM 1798 O TRP A 123 6.250 -0.771 2.435 1.00 0.00 O ATOM 1799 CB TRP A 123 7.906 -0.882 5.012 1.00 0.00 C ATOM 1800 CG TRP A 123 8.302 -1.082 6.476 1.00 0.00 C ATOM 1801 CD1 TRP A 123 7.942 -2.076 7.300 1.00 0.00 C ATOM 1802 CD2 TRP A 123 9.156 -0.223 7.261 1.00 0.00 C ATOM 1803 NE1 TRP A 123 8.499 -1.921 8.553 1.00 0.00 N ATOM 1804 CE2 TRP A 123 9.260 -0.758 8.529 1.00 0.00 C ATOM 1805 CE3 TRP A 123 9.818 0.967 6.911 1.00 0.00 C ATOM 1806 CZ2 TRP A 123 10.019 -0.171 9.549 1.00 0.00 C ATOM 1807 CZ3 TRP A 123 10.572 1.541 7.941 1.00 0.00 C ATOM 1808 CH2 TRP A 123 10.687 1.015 9.223 1.00 0.00 C ATOM 0 H TRP A 123 5.978 -2.538 4.939 1.00 0.00 H new ATOM 0 HA TRP A 123 6.254 0.322 5.507 1.00 0.00 H new ATOM 0 HB2 TRP A 123 8.108 -1.801 4.463 1.00 0.00 H new ATOM 0 HB3 TRP A 123 8.537 -0.106 4.578 1.00 0.00 H new ATOM 0 HD1 TRP A 123 7.297 -2.895 7.019 1.00 0.00 H new ATOM 0 HE1 TRP A 123 8.375 -2.545 9.350 1.00 0.00 H new ATOM 0 HE3 TRP A 123 9.750 1.404 5.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.085 -0.610 10.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 11.102 2.457 7.725 1.00 0.00 H new ATOM 0 HH2 TRP A 123 11.289 1.519 9.964 1.00 0.00 H new ATOM 1819 N VAL A 124 5.758 1.257 3.305 1.00 0.00 N ATOM 1820 CA VAL A 124 5.438 1.855 2.020 1.00 0.00 C ATOM 1821 C VAL A 124 5.692 3.362 2.086 1.00 0.00 C ATOM 1822 O VAL A 124 5.414 3.998 3.102 1.00 0.00 O ATOM 1823 CB VAL A 124 4.002 1.507 1.624 1.00 0.00 C ATOM 1824 CG1 VAL A 124 3.698 1.975 0.199 1.00 0.00 C ATOM 1825 CG2 VAL A 124 3.738 0.008 1.777 1.00 0.00 C ATOM 0 H VAL A 124 5.666 1.886 4.103 1.00 0.00 H new ATOM 0 HA VAL A 124 6.083 1.451 1.240 1.00 0.00 H new ATOM 0 HB VAL A 124 3.331 2.035 2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.671 1.715 -0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.826 3.056 0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.380 1.488 -0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.710 -0.212 1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.421 -0.549 1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.894 -0.285 2.815 1.00 0.00 H new ATOM 1835 N ALA A 125 6.218 3.890 0.991 1.00 0.00 N ATOM 1836 CA ALA A 125 6.512 5.311 0.912 1.00 0.00 C ATOM 1837 C ALA A 125 5.617 5.955 -0.149 1.00 0.00 C ATOM 1838 O ALA A 125 5.340 5.349 -1.184 1.00 0.00 O ATOM 1839 CB ALA A 125 8.000 5.508 0.616 1.00 0.00 C ATOM 0 H ALA A 125 6.448 3.359 0.151 1.00 0.00 H new ATOM 0 HA ALA A 125 6.300 5.800 1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.221 6.574 0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.592 5.058 1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.248 5.032 -0.333 1.00 0.00 H new ATOM 1845 N LEU A 126 5.188 7.173 0.145 1.00 0.00 N ATOM 1846 CA LEU A 126 4.330 7.906 -0.771 1.00 0.00 C ATOM 1847 C LEU A 126 5.025 9.203 -1.188 1.00 0.00 C ATOM 1848 O LEU A 126 5.830 9.750 -0.435 1.00 0.00 O ATOM 1849 CB LEU A 126 2.947 8.121 -0.153 1.00 0.00 C ATOM 1850 CG LEU A 126 2.290 6.885 0.466 1.00 0.00 C ATOM 1851 CD1 LEU A 126 1.434 7.268 1.676 1.00 0.00 C ATOM 1852 CD2 LEU A 126 1.488 6.108 -0.580 1.00 0.00 C ATOM 0 H LEU A 126 5.418 7.671 1.005 1.00 0.00 H new ATOM 0 HA LEU A 126 4.162 7.328 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.030 8.888 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.283 8.513 -0.924 1.00 0.00 H new ATOM 0 HG LEU A 126 3.078 6.223 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.978 6.372 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 126 2.061 7.745 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.652 7.960 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.032 5.235 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.708 6.749 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.152 5.786 -1.382 1.00 0.00 H new ATOM 1864 N SER A 127 4.691 9.658 -2.386 1.00 0.00 N ATOM 1865 CA SER A 127 5.273 10.881 -2.912 1.00 0.00 C ATOM 1866 C SER A 127 4.282 11.570 -3.853 1.00 0.00 C ATOM 1867 O SER A 127 3.981 11.054 -4.928 1.00 0.00 O ATOM 1868 CB SER A 127 6.587 10.595 -3.642 1.00 0.00 C ATOM 1869 OG SER A 127 7.645 11.433 -3.184 1.00 0.00 O ATOM 0 H SER A 127 4.024 9.201 -3.008 1.00 0.00 H new ATOM 0 HA SER A 127 5.490 11.544 -2.075 1.00 0.00 H new ATOM 0 HB2 SER A 127 6.863 9.551 -3.496 1.00 0.00 H new ATOM 0 HB3 SER A 127 6.446 10.741 -4.713 1.00 0.00 H new ATOM 0 HG SER A 127 8.467 11.219 -3.673 1.00 0.00 H new ATOM 1875 N PHE A 128 3.803 12.724 -3.413 1.00 0.00 N ATOM 1876 CA PHE A 128 2.853 13.489 -4.203 1.00 0.00 C ATOM 1877 C PHE A 128 3.572 14.500 -5.098 1.00 0.00 C ATOM 1878 O PHE A 128 4.587 15.072 -4.704 1.00 0.00 O ATOM 1879 CB PHE A 128 1.958 14.243 -3.218 1.00 0.00 C ATOM 1880 CG PHE A 128 0.915 15.142 -3.886 1.00 0.00 C ATOM 1881 CD1 PHE A 128 0.117 14.643 -4.868 1.00 0.00 C ATOM 1882 CD2 PHE A 128 0.787 16.439 -3.499 1.00 0.00 C ATOM 1883 CE1 PHE A 128 -0.851 15.477 -5.488 1.00 0.00 C ATOM 1884 CE2 PHE A 128 -0.180 17.273 -4.120 1.00 0.00 C ATOM 1885 CZ PHE A 128 -0.979 16.774 -5.101 1.00 0.00 C ATOM 0 H PHE A 128 4.055 13.148 -2.520 1.00 0.00 H new ATOM 0 HA PHE A 128 2.279 12.821 -4.845 1.00 0.00 H new ATOM 0 HB2 PHE A 128 1.446 13.521 -2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 128 2.585 14.853 -2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.219 13.613 -5.176 1.00 0.00 H new ATOM 0 HD2 PHE A 128 1.421 16.835 -2.719 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.486 15.081 -6.267 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.281 18.304 -3.813 1.00 0.00 H new ATOM 0 HZ PHE A 128 -1.715 17.408 -5.573 1.00 0.00 H new ATOM 1895 N LYS A 129 3.016 14.691 -6.286 1.00 0.00 N ATOM 1896 CA LYS A 129 3.592 15.623 -7.240 1.00 0.00 C ATOM 1897 C LYS A 129 2.481 16.496 -7.827 1.00 0.00 C ATOM 1898 O LYS A 129 1.879 16.143 -8.840 1.00 0.00 O ATOM 1899 CB LYS A 129 4.408 14.874 -8.295 1.00 0.00 C ATOM 1900 CG LYS A 129 5.718 14.348 -7.704 1.00 0.00 C ATOM 1901 CD LYS A 129 5.961 12.895 -8.117 1.00 0.00 C ATOM 1902 CE LYS A 129 7.296 12.750 -8.851 1.00 0.00 C ATOM 1903 NZ LYS A 129 7.537 11.336 -9.213 1.00 0.00 N ATOM 0 H LYS A 129 2.173 14.216 -6.609 1.00 0.00 H new ATOM 0 HA LYS A 129 4.295 16.292 -6.743 1.00 0.00 H new ATOM 0 HB2 LYS A 129 3.823 14.043 -8.689 1.00 0.00 H new ATOM 0 HB3 LYS A 129 4.623 15.538 -9.132 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.548 14.969 -8.040 1.00 0.00 H new ATOM 0 HG3 LYS A 129 5.686 14.420 -6.617 1.00 0.00 H new ATOM 0 HD2 LYS A 129 5.956 12.256 -7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 129 5.149 12.555 -8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 129 7.292 13.366 -9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.107 13.113 -8.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 8.447 11.255 -9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 7.561 10.756 -8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 6.772 11.001 -9.834 1.00 0.00 H new ATOM 1917 N PRO A 130 2.236 17.649 -7.148 1.00 0.00 N ATOM 1918 CA PRO A 130 1.208 18.575 -7.591 1.00 0.00 C ATOM 1919 C PRO A 130 1.670 19.358 -8.822 1.00 0.00 C ATOM 1920 O PRO A 130 2.786 19.874 -8.852 1.00 0.00 O ATOM 1921 CB PRO A 130 0.936 19.465 -6.390 1.00 0.00 C ATOM 1922 CG PRO A 130 2.139 19.310 -5.474 1.00 0.00 C ATOM 1923 CD PRO A 130 2.929 18.099 -5.944 1.00 0.00 C ATOM 0 HA PRO A 130 0.296 18.070 -7.910 1.00 0.00 H new ATOM 0 HB2 PRO A 130 0.809 20.504 -6.695 1.00 0.00 H new ATOM 0 HB3 PRO A 130 0.018 19.167 -5.883 1.00 0.00 H new ATOM 0 HG2 PRO A 130 2.759 20.206 -5.504 1.00 0.00 H new ATOM 0 HG3 PRO A 130 1.818 19.179 -4.441 1.00 0.00 H new ATOM 0 HD2 PRO A 130 3.965 18.361 -6.158 1.00 0.00 H new ATOM 0 HD3 PRO A 130 2.948 17.319 -5.183 1.00 0.00 H new ATOM 1931 N SER A 131 0.787 19.421 -9.809 1.00 0.00 N ATOM 1932 CA SER A 131 1.090 20.132 -11.039 1.00 0.00 C ATOM 1933 C SER A 131 1.375 21.604 -10.736 1.00 0.00 C ATOM 1934 O SER A 131 0.467 22.434 -10.763 1.00 0.00 O ATOM 1935 CB SER A 131 -0.058 20.009 -12.043 1.00 0.00 C ATOM 1936 OG SER A 131 0.301 20.506 -13.329 1.00 0.00 O ATOM 0 H SER A 131 -0.138 18.991 -9.781 1.00 0.00 H new ATOM 0 HA SER A 131 1.977 19.682 -11.485 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.354 18.964 -12.128 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.924 20.557 -11.672 1.00 0.00 H new ATOM 0 HG SER A 131 -0.458 20.408 -13.941 1.00 0.00 H new