USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 610 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 Single : A 5 TYR OH : rot 180:sc= -0.062 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.076) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -3.28! C(o=-3.3!,f=-5.3!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.14) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0.048) USER MOD Single : A 35 CYS SG : rot -153:sc= 0.0833 USER MOD Single : A 37 SER OG : rot 160:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0725 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -158:sc= -8.38! (180deg=-10.7!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.544 USER MOD Single : A 58 GLN : amide:sc= -1.36 K(o=-1.4,f=-0.55) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -86:sc= 0.636 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -110:sc= -0.793 (180deg=-4.54!) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 87:sc= 0.0095 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 9.294 -3.876 -16.736 1.00 0.00 N ATOM 47 CA ILE A 4 8.234 -4.870 -16.511 1.00 0.00 C ATOM 48 C ILE A 4 6.852 -4.213 -16.454 1.00 0.00 C ATOM 49 O ILE A 4 5.843 -4.867 -16.715 1.00 0.00 O ATOM 50 CB ILE A 4 8.464 -5.662 -15.209 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.215 -4.763 -13.983 1.00 0.00 C ATOM 52 CG2 ILE A 4 9.891 -6.221 -15.175 1.00 0.00 C ATOM 53 CD1 ILE A 4 9.358 -3.758 -13.800 1.00 0.00 C ATOM 0 HA ILE A 4 8.272 -5.556 -17.357 1.00 0.00 H new ATOM 0 HB ILE A 4 7.760 -6.494 -15.179 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.272 -4.229 -14.104 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.120 -5.379 -13.089 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.041 -6.778 -14.251 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.043 -6.884 -16.027 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.605 -5.399 -15.223 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.159 -3.135 -12.928 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.295 -4.295 -13.655 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.434 -3.128 -14.686 1.00 0.00 H new ATOM 65 N TYR A 5 6.810 -2.917 -16.116 1.00 0.00 N ATOM 66 CA TYR A 5 5.535 -2.197 -16.042 1.00 0.00 C ATOM 67 C TYR A 5 4.925 -2.079 -17.435 1.00 0.00 C ATOM 68 O TYR A 5 3.705 -2.109 -17.600 1.00 0.00 O ATOM 69 CB TYR A 5 5.711 -0.777 -15.476 1.00 0.00 C ATOM 70 CG TYR A 5 6.599 -0.776 -14.251 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.711 -1.917 -13.449 1.00 0.00 C ATOM 72 CD2 TYR A 5 7.310 0.381 -13.921 1.00 0.00 C ATOM 73 CE1 TYR A 5 7.536 -1.900 -12.324 1.00 0.00 C ATOM 74 CE2 TYR A 5 8.133 0.398 -12.794 1.00 0.00 C ATOM 75 CZ TYR A 5 8.249 -0.742 -11.995 1.00 0.00 C ATOM 76 OH TYR A 5 9.065 -0.724 -10.882 1.00 0.00 O ATOM 0 H TYR A 5 7.631 -2.354 -15.893 1.00 0.00 H new ATOM 0 HA TYR A 5 4.884 -2.765 -15.377 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.142 -0.130 -16.240 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.736 -0.362 -15.221 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.159 -2.811 -13.701 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.223 1.263 -14.539 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.624 -2.782 -11.706 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.681 1.293 -12.539 1.00 0.00 H new ATOM 0 HH TYR A 5 9.487 0.157 -10.800 1.00 0.00 H new ATOM 86 N LYS A 6 5.803 -1.942 -18.433 1.00 0.00 N ATOM 87 CA LYS A 6 5.364 -1.813 -19.828 1.00 0.00 C ATOM 88 C LYS A 6 5.004 -3.179 -20.400 1.00 0.00 C ATOM 89 O LYS A 6 4.041 -3.318 -21.153 1.00 0.00 O ATOM 90 CB LYS A 6 6.467 -1.188 -20.694 1.00 0.00 C ATOM 91 CG LYS A 6 7.100 0.008 -19.970 1.00 0.00 C ATOM 92 CD LYS A 6 6.004 0.894 -19.373 1.00 0.00 C ATOM 93 CE LYS A 6 6.642 1.972 -18.492 1.00 0.00 C ATOM 94 NZ LYS A 6 5.769 3.181 -18.467 1.00 0.00 N ATOM 0 H LYS A 6 6.815 -1.918 -18.304 1.00 0.00 H new ATOM 0 HA LYS A 6 4.487 -1.165 -19.840 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.231 -1.933 -20.916 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.050 -0.865 -21.648 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.765 -0.344 -19.182 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.708 0.586 -20.666 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.422 1.358 -20.170 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.314 0.290 -18.784 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.783 1.592 -17.480 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.629 2.232 -18.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.204 3.911 -17.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.656 3.548 -19.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.837 2.928 -18.082 1.00 0.00 H new ATOM 108 N ALA A 7 5.791 -4.186 -20.027 1.00 0.00 N ATOM 109 CA ALA A 7 5.551 -5.550 -20.498 1.00 0.00 C ATOM 110 C ALA A 7 4.310 -6.146 -19.823 1.00 0.00 C ATOM 111 O ALA A 7 3.619 -6.984 -20.404 1.00 0.00 O ATOM 112 CB ALA A 7 6.757 -6.441 -20.195 1.00 0.00 C ATOM 0 H ALA A 7 6.594 -4.086 -19.406 1.00 0.00 H new ATOM 0 HA ALA A 7 5.391 -5.507 -21.575 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.561 -7.452 -20.552 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.639 -6.043 -20.697 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.932 -6.464 -19.119 1.00 0.00 H new ATOM 118 N ALA A 8 4.044 -5.708 -18.587 1.00 0.00 N ATOM 119 CA ALA A 8 2.894 -6.207 -17.831 1.00 0.00 C ATOM 120 C ALA A 8 1.617 -5.411 -18.133 1.00 0.00 C ATOM 121 O ALA A 8 0.514 -5.922 -17.937 1.00 0.00 O ATOM 122 CB ALA A 8 3.178 -6.142 -16.329 1.00 0.00 C ATOM 0 H ALA A 8 4.606 -5.014 -18.094 1.00 0.00 H new ATOM 0 HA ALA A 8 2.735 -7.240 -18.139 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.315 -6.516 -15.779 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.049 -6.754 -16.097 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.373 -5.109 -16.040 1.00 0.00 H new ATOM 128 N VAL A 9 1.765 -4.159 -18.602 1.00 0.00 N ATOM 129 CA VAL A 9 0.594 -3.322 -18.912 1.00 0.00 C ATOM 130 C VAL A 9 -0.329 -4.003 -19.935 1.00 0.00 C ATOM 131 O VAL A 9 -1.550 -3.853 -19.875 1.00 0.00 O ATOM 132 CB VAL A 9 1.029 -1.939 -19.433 1.00 0.00 C ATOM 133 CG1 VAL A 9 1.402 -2.010 -20.917 1.00 0.00 C ATOM 134 CG2 VAL A 9 -0.118 -0.941 -19.248 1.00 0.00 C ATOM 0 H VAL A 9 2.666 -3.712 -18.772 1.00 0.00 H new ATOM 0 HA VAL A 9 0.036 -3.189 -17.985 1.00 0.00 H new ATOM 0 HB VAL A 9 1.903 -1.615 -18.868 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.706 -1.022 -21.263 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.226 -2.711 -21.052 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.540 -2.347 -21.493 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.189 0.038 -19.616 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.990 -1.282 -19.806 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.370 -0.868 -18.190 1.00 0.00 H new ATOM 144 N GLU A 10 0.270 -4.759 -20.865 1.00 0.00 N ATOM 145 CA GLU A 10 -0.506 -5.467 -21.890 1.00 0.00 C ATOM 146 C GLU A 10 -1.246 -6.670 -21.292 1.00 0.00 C ATOM 147 O GLU A 10 -2.237 -7.138 -21.856 1.00 0.00 O ATOM 148 CB GLU A 10 0.415 -5.965 -23.010 1.00 0.00 C ATOM 149 CG GLU A 10 0.666 -4.835 -24.014 1.00 0.00 C ATOM 150 CD GLU A 10 -0.538 -4.695 -24.944 1.00 0.00 C ATOM 151 OE1 GLU A 10 -0.614 -5.447 -25.902 1.00 0.00 O ATOM 152 OE2 GLU A 10 -1.366 -3.836 -24.684 1.00 0.00 O ATOM 0 H GLU A 10 1.279 -4.895 -20.928 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.234 -4.762 -22.292 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.361 -6.308 -22.590 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.038 -6.818 -23.514 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.840 -3.898 -23.485 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.564 -5.045 -24.595 1.00 0.00 H new ATOM 159 N GLN A 11 -0.757 -7.166 -20.149 1.00 0.00 N ATOM 160 CA GLN A 11 -1.380 -8.317 -19.489 1.00 0.00 C ATOM 161 C GLN A 11 -2.610 -7.884 -18.692 1.00 0.00 C ATOM 162 O GLN A 11 -3.636 -8.568 -18.695 1.00 0.00 O ATOM 163 CB GLN A 11 -0.388 -9.005 -18.541 1.00 0.00 C ATOM 164 CG GLN A 11 0.883 -9.394 -19.305 1.00 0.00 C ATOM 165 CD GLN A 11 0.568 -10.513 -20.296 1.00 0.00 C ATOM 166 OE1 GLN A 11 0.554 -11.688 -19.930 1.00 0.00 O ATOM 167 NE2 GLN A 11 0.311 -10.214 -21.541 1.00 0.00 N ATOM 0 H GLN A 11 0.060 -6.792 -19.667 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.681 -9.018 -20.267 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.137 -8.337 -17.717 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.846 -9.893 -18.104 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.280 -8.528 -19.834 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.653 -9.721 -18.606 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.323 -9.240 -21.844 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.099 -10.954 -22.210 1.00 0.00 H new ATOM 176 N LEU A 12 -2.493 -6.744 -18.008 1.00 0.00 N ATOM 177 CA LEU A 12 -3.598 -6.221 -17.203 1.00 0.00 C ATOM 178 C LEU A 12 -4.697 -5.644 -18.101 1.00 0.00 C ATOM 179 O LEU A 12 -4.497 -5.442 -19.301 1.00 0.00 O ATOM 180 CB LEU A 12 -3.102 -5.128 -16.254 1.00 0.00 C ATOM 181 CG LEU A 12 -1.825 -5.468 -15.476 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.812 -4.335 -15.644 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.156 -5.644 -13.991 1.00 0.00 C ATOM 0 H LEU A 12 -1.651 -6.169 -17.995 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.006 -7.048 -16.622 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.926 -4.221 -16.831 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.894 -4.902 -15.540 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.402 -6.396 -15.862 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.097 -4.575 -15.092 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.573 -4.214 -16.701 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.236 -3.408 -15.260 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.246 -5.886 -13.442 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.581 -4.719 -13.601 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.877 -6.453 -13.872 1.00 0.00 H new ATOM 195 N THR A 13 -5.861 -5.389 -17.500 1.00 0.00 N ATOM 196 CA THR A 13 -7.000 -4.840 -18.244 1.00 0.00 C ATOM 197 C THR A 13 -7.469 -3.525 -17.628 1.00 0.00 C ATOM 198 O THR A 13 -7.001 -3.116 -16.565 1.00 0.00 O ATOM 199 CB THR A 13 -8.180 -5.825 -18.239 1.00 0.00 C ATOM 200 OG1 THR A 13 -8.141 -6.625 -17.064 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.106 -6.723 -19.473 1.00 0.00 C ATOM 0 H THR A 13 -6.041 -5.552 -16.509 1.00 0.00 H new ATOM 0 HA THR A 13 -6.666 -4.668 -19.267 1.00 0.00 H new ATOM 0 HB THR A 13 -9.113 -5.262 -18.256 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.897 -7.249 -17.068 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.944 -7.420 -19.466 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.151 -6.109 -20.373 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.170 -7.281 -19.461 1.00 0.00 H new ATOM 209 N ASP A 14 -8.421 -2.879 -18.303 1.00 0.00 N ATOM 210 CA ASP A 14 -8.981 -1.621 -17.809 1.00 0.00 C ATOM 211 C ASP A 14 -9.712 -1.856 -16.484 1.00 0.00 C ATOM 212 O ASP A 14 -9.785 -0.964 -15.638 1.00 0.00 O ATOM 213 CB ASP A 14 -9.968 -1.039 -18.824 1.00 0.00 C ATOM 214 CG ASP A 14 -10.186 0.445 -18.539 1.00 0.00 C ATOM 215 OD1 ASP A 14 -9.289 1.224 -18.826 1.00 0.00 O ATOM 216 OD2 ASP A 14 -11.247 0.783 -18.041 1.00 0.00 O ATOM 0 H ASP A 14 -8.817 -3.203 -19.185 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.161 -0.919 -17.659 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.585 -1.172 -19.836 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.917 -1.573 -18.770 1.00 0.00 H new ATOM 221 N GLU A 15 -10.250 -3.073 -16.322 1.00 0.00 N ATOM 222 CA GLU A 15 -10.975 -3.443 -15.103 1.00 0.00 C ATOM 223 C GLU A 15 -10.079 -3.315 -13.866 1.00 0.00 C ATOM 224 O GLU A 15 -10.529 -2.850 -12.818 1.00 0.00 O ATOM 225 CB GLU A 15 -11.483 -4.883 -15.198 1.00 0.00 C ATOM 226 CG GLU A 15 -12.760 -4.924 -16.043 1.00 0.00 C ATOM 227 CD GLU A 15 -13.656 -6.062 -15.561 1.00 0.00 C ATOM 228 OE1 GLU A 15 -14.447 -5.827 -14.662 1.00 0.00 O ATOM 229 OE2 GLU A 15 -13.538 -7.152 -16.098 1.00 0.00 O ATOM 0 H GLU A 15 -10.196 -3.815 -17.020 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.819 -2.760 -15.005 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.719 -5.520 -15.644 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.682 -5.275 -14.201 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.289 -3.974 -15.967 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.508 -5.066 -17.094 1.00 0.00 H new ATOM 236 N GLN A 16 -8.808 -3.730 -13.995 1.00 0.00 N ATOM 237 CA GLN A 16 -7.870 -3.641 -12.866 1.00 0.00 C ATOM 238 C GLN A 16 -7.682 -2.180 -12.438 1.00 0.00 C ATOM 239 O GLN A 16 -7.489 -1.892 -11.257 1.00 0.00 O ATOM 240 CB GLN A 16 -6.507 -4.274 -13.216 1.00 0.00 C ATOM 241 CG GLN A 16 -5.683 -3.345 -14.119 1.00 0.00 C ATOM 242 CD GLN A 16 -4.413 -2.886 -13.397 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.344 -2.823 -14.002 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.461 -2.552 -12.134 1.00 0.00 N ATOM 0 H GLN A 16 -8.413 -4.122 -14.850 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.298 -4.201 -12.034 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.953 -4.482 -12.301 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.664 -5.229 -13.718 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.418 -3.864 -15.040 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.281 -2.479 -14.402 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.344 -2.602 -11.626 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.615 -2.241 -11.656 1.00 0.00 H new ATOM 253 N LYS A 17 -7.766 -1.261 -13.409 1.00 0.00 N ATOM 254 CA LYS A 17 -7.630 0.166 -13.119 1.00 0.00 C ATOM 255 C LYS A 17 -8.954 0.720 -12.589 1.00 0.00 C ATOM 256 O LYS A 17 -8.969 1.655 -11.790 1.00 0.00 O ATOM 257 CB LYS A 17 -7.228 0.941 -14.375 1.00 0.00 C ATOM 258 CG LYS A 17 -5.706 0.895 -14.541 1.00 0.00 C ATOM 259 CD LYS A 17 -5.332 -0.141 -15.607 1.00 0.00 C ATOM 260 CE LYS A 17 -4.105 0.340 -16.387 1.00 0.00 C ATOM 261 NZ LYS A 17 -4.543 1.069 -17.611 1.00 0.00 N ATOM 0 H LYS A 17 -7.926 -1.481 -14.392 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.851 0.286 -12.366 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.713 0.510 -15.251 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.565 1.975 -14.300 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.332 1.878 -14.829 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.235 0.640 -13.592 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.122 -1.102 -15.136 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.170 -0.296 -16.287 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.497 0.993 -15.761 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.480 -0.510 -16.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.708 1.394 -18.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.106 0.433 -18.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.121 1.889 -17.338 1.00 0.00 H new ATOM 275 N ASN A 18 -10.066 0.118 -13.037 1.00 0.00 N ATOM 276 CA ASN A 18 -11.396 0.539 -12.594 1.00 0.00 C ATOM 277 C ASN A 18 -11.534 0.328 -11.086 1.00 0.00 C ATOM 278 O ASN A 18 -12.019 1.202 -10.365 1.00 0.00 O ATOM 279 CB ASN A 18 -12.484 -0.267 -13.315 1.00 0.00 C ATOM 280 CG ASN A 18 -13.073 0.563 -14.452 1.00 0.00 C ATOM 281 OD1 ASN A 18 -13.562 1.672 -14.232 1.00 0.00 O ATOM 282 ND2 ASN A 18 -13.055 0.090 -15.668 1.00 0.00 N ATOM 0 H ASN A 18 -10.067 -0.656 -13.701 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.517 1.596 -12.831 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.064 -1.193 -13.708 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.269 -0.546 -12.612 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.445 0.638 -16.434 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.651 -0.828 -15.852 1.00 0.00 H new ATOM 289 N GLU A 19 -11.080 -0.842 -10.618 1.00 0.00 N ATOM 290 CA GLU A 19 -11.134 -1.164 -9.190 1.00 0.00 C ATOM 291 C GLU A 19 -10.095 -0.343 -8.433 1.00 0.00 C ATOM 292 O GLU A 19 -10.360 0.158 -7.340 1.00 0.00 O ATOM 293 CB GLU A 19 -10.857 -2.655 -8.948 1.00 0.00 C ATOM 294 CG GLU A 19 -11.827 -3.507 -9.773 1.00 0.00 C ATOM 295 CD GLU A 19 -13.243 -3.361 -9.223 1.00 0.00 C ATOM 296 OE1 GLU A 19 -13.551 -4.022 -8.243 1.00 0.00 O ATOM 297 OE2 GLU A 19 -14.000 -2.588 -9.788 1.00 0.00 O ATOM 0 H GLU A 19 -10.675 -1.573 -11.202 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.136 -0.927 -8.832 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.829 -2.892 -9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.967 -2.887 -7.889 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.799 -3.197 -10.818 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.522 -4.553 -9.743 1.00 0.00 H new ATOM 304 N PHE A 20 -8.908 -0.209 -9.037 1.00 0.00 N ATOM 305 CA PHE A 20 -7.817 0.557 -8.429 1.00 0.00 C ATOM 306 C PHE A 20 -8.216 2.022 -8.241 1.00 0.00 C ATOM 307 O PHE A 20 -7.879 2.638 -7.230 1.00 0.00 O ATOM 308 CB PHE A 20 -6.563 0.493 -9.312 1.00 0.00 C ATOM 309 CG PHE A 20 -5.749 -0.742 -8.984 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.356 -1.864 -8.401 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.379 -0.760 -9.268 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.595 -2.997 -8.105 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.618 -1.894 -8.971 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.225 -3.012 -8.388 1.00 0.00 C ATOM 0 H PHE A 20 -8.681 -0.620 -9.942 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.605 0.116 -7.455 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.851 0.478 -10.363 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.957 1.386 -9.160 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.413 -1.852 -8.181 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.909 0.103 -9.717 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.064 -3.861 -7.658 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.561 -1.907 -9.192 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.636 -3.887 -8.156 1.00 0.00 H new ATOM 324 N LYS A 21 -8.937 2.569 -9.227 1.00 0.00 N ATOM 325 CA LYS A 21 -9.380 3.965 -9.163 1.00 0.00 C ATOM 326 C LYS A 21 -10.388 4.156 -8.032 1.00 0.00 C ATOM 327 O LYS A 21 -10.289 5.108 -7.257 1.00 0.00 O ATOM 328 CB LYS A 21 -10.020 4.391 -10.491 1.00 0.00 C ATOM 329 CG LYS A 21 -10.236 5.909 -10.501 1.00 0.00 C ATOM 330 CD LYS A 21 -8.897 6.625 -10.285 1.00 0.00 C ATOM 331 CE LYS A 21 -8.989 8.060 -10.814 1.00 0.00 C ATOM 332 NZ LYS A 21 -7.699 8.438 -11.459 1.00 0.00 N ATOM 0 H LYS A 21 -9.223 2.072 -10.070 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.504 4.586 -8.973 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.379 4.100 -11.324 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.972 3.878 -10.627 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.675 6.217 -11.450 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.940 6.191 -9.718 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.645 6.633 -9.225 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.099 6.088 -10.798 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.804 8.142 -11.533 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.214 8.746 -9.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.763 9.412 -11.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.930 8.375 -10.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.503 7.790 -12.249 1.00 0.00 H new ATOM 346 N ALA A 22 -11.353 3.235 -7.938 1.00 0.00 N ATOM 347 CA ALA A 22 -12.366 3.308 -6.884 1.00 0.00 C ATOM 348 C ALA A 22 -11.715 3.109 -5.515 1.00 0.00 C ATOM 349 O ALA A 22 -12.013 3.832 -4.564 1.00 0.00 O ATOM 350 CB ALA A 22 -13.439 2.236 -7.089 1.00 0.00 C ATOM 0 H ALA A 22 -11.453 2.441 -8.571 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.832 4.292 -6.930 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.182 2.308 -6.295 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.924 2.386 -8.054 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.977 1.249 -7.065 1.00 0.00 H new ATOM 356 N ALA A 23 -10.806 2.128 -5.438 1.00 0.00 N ATOM 357 CA ALA A 23 -10.088 1.838 -4.193 1.00 0.00 C ATOM 358 C ALA A 23 -9.227 3.033 -3.776 1.00 0.00 C ATOM 359 O ALA A 23 -8.958 3.233 -2.589 1.00 0.00 O ATOM 360 CB ALA A 23 -9.185 0.613 -4.365 1.00 0.00 C ATOM 0 H ALA A 23 -10.552 1.525 -6.220 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.831 1.638 -3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.660 0.414 -3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.792 -0.252 -4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.459 0.804 -5.155 1.00 0.00 H new ATOM 366 N PHE A 24 -8.803 3.828 -4.763 1.00 0.00 N ATOM 367 CA PHE A 24 -7.984 5.005 -4.494 1.00 0.00 C ATOM 368 C PHE A 24 -8.874 6.166 -4.046 1.00 0.00 C ATOM 369 O PHE A 24 -8.664 6.746 -2.983 1.00 0.00 O ATOM 370 CB PHE A 24 -7.212 5.414 -5.758 1.00 0.00 C ATOM 371 CG PHE A 24 -5.954 6.167 -5.384 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.760 5.470 -5.154 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.979 7.563 -5.276 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.595 6.170 -4.815 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.814 8.261 -4.936 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.623 7.565 -4.706 1.00 0.00 C ATOM 0 H PHE A 24 -9.014 3.676 -5.749 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.274 4.763 -3.703 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.955 4.528 -6.338 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.843 6.038 -6.392 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.738 4.394 -5.238 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.898 8.102 -5.455 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.675 5.633 -4.638 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.835 9.337 -4.851 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.725 8.104 -4.444 1.00 0.00 H new ATOM 386 N ASP A 25 -9.870 6.491 -4.881 1.00 0.00 N ATOM 387 CA ASP A 25 -10.802 7.591 -4.601 1.00 0.00 C ATOM 388 C ASP A 25 -11.412 7.502 -3.197 1.00 0.00 C ATOM 389 O ASP A 25 -11.505 8.512 -2.496 1.00 0.00 O ATOM 390 CB ASP A 25 -11.935 7.602 -5.632 1.00 0.00 C ATOM 391 CG ASP A 25 -12.633 8.959 -5.616 1.00 0.00 C ATOM 392 OD1 ASP A 25 -12.176 9.847 -6.317 1.00 0.00 O ATOM 393 OD2 ASP A 25 -13.616 9.090 -4.904 1.00 0.00 O ATOM 0 H ASP A 25 -10.051 6.005 -5.759 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.223 8.512 -4.661 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.537 7.399 -6.626 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.651 6.811 -5.408 1.00 0.00 H new ATOM 398 N ILE A 26 -11.838 6.299 -2.793 1.00 0.00 N ATOM 399 CA ILE A 26 -12.446 6.120 -1.465 1.00 0.00 C ATOM 400 C ILE A 26 -11.491 6.576 -0.356 1.00 0.00 C ATOM 401 O ILE A 26 -11.923 7.126 0.659 1.00 0.00 O ATOM 402 CB ILE A 26 -12.838 4.654 -1.228 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.613 3.751 -1.423 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.939 4.255 -2.215 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.993 2.294 -1.159 1.00 0.00 C ATOM 0 H ILE A 26 -11.776 5.449 -3.353 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.345 6.736 -1.437 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.207 4.538 -0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.230 3.858 -2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.814 4.056 -0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -14.218 3.215 -2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.810 4.893 -2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.573 4.373 -3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.118 1.659 -1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.355 2.192 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.777 1.991 -1.853 1.00 0.00 H new ATOM 417 N PHE A 27 -10.191 6.347 -0.564 1.00 0.00 N ATOM 418 CA PHE A 27 -9.181 6.742 0.419 1.00 0.00 C ATOM 419 C PHE A 27 -8.799 8.219 0.252 1.00 0.00 C ATOM 420 O PHE A 27 -8.395 8.874 1.216 1.00 0.00 O ATOM 421 CB PHE A 27 -7.921 5.880 0.273 1.00 0.00 C ATOM 422 CG PHE A 27 -8.024 4.672 1.176 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.698 3.524 0.741 1.00 0.00 C ATOM 424 CD2 PHE A 27 -7.444 4.700 2.450 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.792 2.406 1.579 1.00 0.00 C ATOM 426 CE2 PHE A 27 -7.538 3.582 3.288 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.212 2.435 2.852 1.00 0.00 C ATOM 0 H PHE A 27 -9.817 5.894 -1.398 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.611 6.594 1.409 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.804 5.563 -0.763 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.037 6.464 0.530 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -9.146 3.501 -0.242 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.924 5.584 2.787 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.312 1.521 1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.091 3.605 4.271 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.284 1.573 3.498 1.00 0.00 H new ATOM 437 N ILE A 28 -8.927 8.738 -0.979 1.00 0.00 N ATOM 438 CA ILE A 28 -8.587 10.140 -1.256 1.00 0.00 C ATOM 439 C ILE A 28 -9.811 11.055 -1.080 1.00 0.00 C ATOM 440 O ILE A 28 -9.890 12.130 -1.681 1.00 0.00 O ATOM 441 CB ILE A 28 -8.035 10.291 -2.687 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.976 9.221 -2.975 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.387 11.665 -2.864 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.126 8.952 -1.728 1.00 0.00 C ATOM 0 H ILE A 28 -9.259 8.214 -1.789 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.821 10.439 -0.540 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.871 10.178 -3.377 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.461 8.299 -3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.336 9.547 -3.795 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.002 11.757 -3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.129 12.443 -2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.568 11.775 -2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.380 8.190 -1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.625 9.871 -1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.768 8.604 -0.919 1.00 0.00 H new ATOM 456 N GLN A 29 -10.756 10.633 -0.231 1.00 0.00 N ATOM 457 CA GLN A 29 -11.952 11.440 0.028 1.00 0.00 C ATOM 458 C GLN A 29 -11.570 12.723 0.776 1.00 0.00 C ATOM 459 O GLN A 29 -12.161 13.781 0.558 1.00 0.00 O ATOM 460 CB GLN A 29 -12.991 10.655 0.845 1.00 0.00 C ATOM 461 CG GLN A 29 -12.352 10.093 2.121 1.00 0.00 C ATOM 462 CD GLN A 29 -13.436 9.495 3.012 1.00 0.00 C ATOM 463 OE1 GLN A 29 -13.531 8.276 3.147 1.00 0.00 O ATOM 464 NE2 GLN A 29 -14.268 10.287 3.635 1.00 0.00 N ATOM 0 H GLN A 29 -10.717 9.751 0.281 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.396 11.696 -0.934 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.826 11.306 1.105 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.396 9.841 0.244 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.615 9.332 1.866 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.823 10.883 2.654 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.190 11.298 3.524 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.995 9.894 4.233 1.00 0.00 H new ATOM 473 N ASP A 30 -10.558 12.612 1.646 1.00 0.00 N ATOM 474 CA ASP A 30 -10.072 13.764 2.413 1.00 0.00 C ATOM 475 C ASP A 30 -8.558 13.649 2.633 1.00 0.00 C ATOM 476 O ASP A 30 -8.042 13.942 3.716 1.00 0.00 O ATOM 477 CB ASP A 30 -10.786 13.871 3.772 1.00 0.00 C ATOM 478 CG ASP A 30 -10.955 12.489 4.409 1.00 0.00 C ATOM 479 OD1 ASP A 30 -9.954 11.825 4.630 1.00 0.00 O ATOM 480 OD2 ASP A 30 -12.087 12.121 4.676 1.00 0.00 O ATOM 0 H ASP A 30 -10.063 11.741 1.835 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.290 14.665 1.839 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.213 14.516 4.439 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.762 14.337 3.639 1.00 0.00 H new ATOM 485 N ALA A 31 -7.853 13.215 1.583 1.00 0.00 N ATOM 486 CA ALA A 31 -6.400 13.053 1.647 1.00 0.00 C ATOM 487 C ALA A 31 -5.701 14.406 1.785 1.00 0.00 C ATOM 488 O ALA A 31 -6.270 15.455 1.472 1.00 0.00 O ATOM 489 CB ALA A 31 -5.887 12.360 0.384 1.00 0.00 C ATOM 0 H ALA A 31 -8.265 12.971 0.682 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.175 12.444 2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.805 12.246 0.446 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.351 11.378 0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.140 12.962 -0.489 1.00 0.00 H new ATOM 495 N GLU A 32 -4.454 14.362 2.258 1.00 0.00 N ATOM 496 CA GLU A 32 -3.662 15.581 2.441 1.00 0.00 C ATOM 497 C GLU A 32 -3.066 16.043 1.111 1.00 0.00 C ATOM 498 O GLU A 32 -3.151 17.222 0.758 1.00 0.00 O ATOM 499 CB GLU A 32 -2.526 15.344 3.442 1.00 0.00 C ATOM 500 CG GLU A 32 -3.108 14.891 4.786 1.00 0.00 C ATOM 501 CD GLU A 32 -2.139 15.246 5.909 1.00 0.00 C ATOM 502 OE1 GLU A 32 -1.220 14.476 6.139 1.00 0.00 O ATOM 503 OE2 GLU A 32 -2.331 16.283 6.524 1.00 0.00 O ATOM 0 H GLU A 32 -3.973 13.502 2.520 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.328 16.353 2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.842 14.588 3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.948 16.259 3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.071 15.372 4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.287 13.816 4.773 1.00 0.00 H new ATOM 510 N ASP A 33 -2.466 15.100 0.379 1.00 0.00 N ATOM 511 CA ASP A 33 -1.857 15.412 -0.918 1.00 0.00 C ATOM 512 C ASP A 33 -2.538 14.626 -2.049 1.00 0.00 C ATOM 513 O ASP A 33 -1.919 14.331 -3.074 1.00 0.00 O ATOM 514 CB ASP A 33 -0.362 15.068 -0.892 1.00 0.00 C ATOM 515 CG ASP A 33 0.426 16.142 -1.637 1.00 0.00 C ATOM 516 OD1 ASP A 33 0.809 17.113 -1.006 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.636 15.977 -2.829 1.00 0.00 O ATOM 0 H ASP A 33 -2.389 14.122 0.659 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.987 16.478 -1.104 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.013 14.996 0.138 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.195 14.095 -1.353 1.00 0.00 H new ATOM 522 N GLY A 34 -3.821 14.293 -1.853 1.00 0.00 N ATOM 523 CA GLY A 34 -4.576 13.543 -2.861 1.00 0.00 C ATOM 524 C GLY A 34 -3.992 12.143 -3.071 1.00 0.00 C ATOM 525 O GLY A 34 -4.029 11.607 -4.180 1.00 0.00 O ATOM 0 H GLY A 34 -4.352 14.529 -1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.618 13.461 -2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.566 14.088 -3.805 1.00 0.00 H new ATOM 529 N CYS A 35 -3.449 11.561 -1.995 1.00 0.00 N ATOM 530 CA CYS A 35 -2.852 10.224 -2.065 1.00 0.00 C ATOM 531 C CYS A 35 -3.139 9.443 -0.781 1.00 0.00 C ATOM 532 O CYS A 35 -3.758 9.961 0.153 1.00 0.00 O ATOM 533 CB CYS A 35 -1.336 10.326 -2.253 1.00 0.00 C ATOM 534 SG CYS A 35 -0.967 11.302 -3.733 1.00 0.00 S ATOM 0 H CYS A 35 -3.411 11.992 -1.072 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.292 9.703 -2.915 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.882 10.790 -1.377 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.904 9.330 -2.346 1.00 0.00 H new ATOM 0 HG CYS A 35 0.187 10.944 -4.213 1.00 0.00 H new ATOM 540 N ILE A 36 -2.673 8.191 -0.739 1.00 0.00 N ATOM 541 CA ILE A 36 -2.881 7.346 0.441 1.00 0.00 C ATOM 542 C ILE A 36 -1.580 7.221 1.240 1.00 0.00 C ATOM 543 O ILE A 36 -0.530 7.704 0.814 1.00 0.00 O ATOM 544 CB ILE A 36 -3.380 5.949 0.039 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.365 5.269 -0.887 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.723 6.072 -0.687 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.683 4.129 -0.134 1.00 0.00 C ATOM 0 H ILE A 36 -2.156 7.745 -1.497 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.641 7.819 1.063 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.501 5.347 0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.866 4.885 -1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.623 5.992 -1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.075 5.080 -0.971 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.452 6.540 -0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.599 6.683 -1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.960 3.642 -0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.170 4.527 0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.432 3.403 0.183 1.00 0.00 H new ATOM 559 N SER A 37 -1.659 6.575 2.405 1.00 0.00 N ATOM 560 CA SER A 37 -0.480 6.403 3.258 1.00 0.00 C ATOM 561 C SER A 37 0.198 5.061 2.990 1.00 0.00 C ATOM 562 O SER A 37 -0.426 4.113 2.510 1.00 0.00 O ATOM 563 CB SER A 37 -0.868 6.479 4.736 1.00 0.00 C ATOM 564 OG SER A 37 0.275 6.833 5.507 1.00 0.00 O ATOM 0 H SER A 37 -2.516 6.166 2.777 1.00 0.00 H new ATOM 0 HA SER A 37 0.215 7.209 3.022 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.659 7.216 4.878 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.262 5.519 5.070 1.00 0.00 H new ATOM 0 HG SER A 37 -0.013 7.192 6.373 1.00 0.00 H new ATOM 570 N THR A 38 1.485 4.997 3.328 1.00 0.00 N ATOM 571 CA THR A 38 2.268 3.770 3.145 1.00 0.00 C ATOM 572 C THR A 38 1.673 2.633 3.981 1.00 0.00 C ATOM 573 O THR A 38 1.511 1.510 3.499 1.00 0.00 O ATOM 574 CB THR A 38 3.731 3.988 3.561 1.00 0.00 C ATOM 575 OG1 THR A 38 3.784 4.421 4.915 1.00 0.00 O ATOM 576 CG2 THR A 38 4.373 5.051 2.665 1.00 0.00 C ATOM 0 H THR A 38 2.008 5.775 3.729 1.00 0.00 H new ATOM 0 HA THR A 38 2.234 3.505 2.088 1.00 0.00 H new ATOM 0 HB THR A 38 4.274 3.049 3.456 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.718 4.558 5.178 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.410 5.201 2.965 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.339 4.720 1.627 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.827 5.989 2.765 1.00 0.00 H new ATOM 584 N LYS A 39 1.345 2.948 5.239 1.00 0.00 N ATOM 585 CA LYS A 39 0.759 1.962 6.151 1.00 0.00 C ATOM 586 C LYS A 39 -0.693 1.630 5.762 1.00 0.00 C ATOM 587 O LYS A 39 -1.228 0.597 6.171 1.00 0.00 O ATOM 588 CB LYS A 39 0.792 2.490 7.592 1.00 0.00 C ATOM 589 CG LYS A 39 -0.119 3.719 7.724 1.00 0.00 C ATOM 590 CD LYS A 39 0.661 4.876 8.356 1.00 0.00 C ATOM 591 CE LYS A 39 0.753 4.667 9.871 1.00 0.00 C ATOM 592 NZ LYS A 39 1.306 5.895 10.511 1.00 0.00 N ATOM 0 H LYS A 39 1.475 3.874 5.647 1.00 0.00 H new ATOM 0 HA LYS A 39 1.353 1.051 6.079 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.466 1.711 8.281 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.813 2.753 7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.493 4.013 6.743 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.987 3.476 8.337 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.661 4.932 7.925 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.167 5.823 8.139 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.233 4.445 10.278 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.390 3.811 10.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.368 5.753 11.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.254 6.088 10.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.682 6.702 10.310 1.00 0.00 H new ATOM 606 N GLU A 40 -1.321 2.511 4.966 1.00 0.00 N ATOM 607 CA GLU A 40 -2.705 2.291 4.531 1.00 0.00 C ATOM 608 C GLU A 40 -2.783 1.295 3.363 1.00 0.00 C ATOM 609 O GLU A 40 -3.878 0.938 2.925 1.00 0.00 O ATOM 610 CB GLU A 40 -3.351 3.613 4.097 1.00 0.00 C ATOM 611 CG GLU A 40 -4.326 4.093 5.178 1.00 0.00 C ATOM 612 CD GLU A 40 -3.661 5.173 6.026 1.00 0.00 C ATOM 613 OE1 GLU A 40 -2.928 4.819 6.935 1.00 0.00 O ATOM 614 OE2 GLU A 40 -3.896 6.339 5.755 1.00 0.00 O ATOM 0 H GLU A 40 -0.897 3.370 4.616 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.243 1.876 5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.582 4.366 3.928 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.878 3.478 3.153 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.232 4.486 4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.627 3.256 5.808 1.00 0.00 H new ATOM 621 N LEU A 41 -1.621 0.844 2.860 1.00 0.00 N ATOM 622 CA LEU A 41 -1.601 -0.113 1.748 1.00 0.00 C ATOM 623 C LEU A 41 -2.289 -1.420 2.153 1.00 0.00 C ATOM 624 O LEU A 41 -3.103 -1.959 1.405 1.00 0.00 O ATOM 625 CB LEU A 41 -0.163 -0.414 1.308 1.00 0.00 C ATOM 626 CG LEU A 41 -0.018 -1.505 0.236 1.00 0.00 C ATOM 627 CD1 LEU A 41 -1.009 -1.248 -0.904 1.00 0.00 C ATOM 628 CD2 LEU A 41 1.410 -1.493 -0.318 1.00 0.00 C ATOM 0 H LEU A 41 -0.701 1.122 3.200 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.139 0.338 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.283 0.506 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.413 -0.711 2.185 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.228 -2.477 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.902 -2.025 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.026 -1.261 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.805 -0.275 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.512 -2.267 -1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.620 -0.520 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.116 -1.684 0.491 1.00 0.00 H new ATOM 640 N GLY A 42 -1.963 -1.915 3.351 1.00 0.00 N ATOM 641 CA GLY A 42 -2.568 -3.154 3.851 1.00 0.00 C ATOM 642 C GLY A 42 -4.094 -3.028 3.965 1.00 0.00 C ATOM 643 O GLY A 42 -4.806 -4.032 3.997 1.00 0.00 O ATOM 0 H GLY A 42 -1.292 -1.483 3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.319 -3.978 3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.148 -3.397 4.827 1.00 0.00 H new ATOM 647 N LYS A 43 -4.584 -1.784 4.029 1.00 0.00 N ATOM 648 CA LYS A 43 -6.019 -1.531 4.145 1.00 0.00 C ATOM 649 C LYS A 43 -6.697 -1.519 2.770 1.00 0.00 C ATOM 650 O LYS A 43 -7.812 -2.025 2.620 1.00 0.00 O ATOM 651 CB LYS A 43 -6.256 -0.183 4.832 1.00 0.00 C ATOM 652 CG LYS A 43 -7.661 -0.145 5.432 1.00 0.00 C ATOM 653 CD LYS A 43 -7.636 -0.732 6.846 1.00 0.00 C ATOM 654 CE LYS A 43 -9.019 -0.587 7.485 1.00 0.00 C ATOM 655 NZ LYS A 43 -9.115 -1.476 8.679 1.00 0.00 N ATOM 0 H LYS A 43 -4.008 -0.943 4.002 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.452 -2.336 4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.513 -0.028 5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.136 0.627 4.113 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.027 0.881 5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.350 -0.711 4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.349 -1.783 6.810 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.889 -0.218 7.451 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.189 0.449 7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.793 -0.846 6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.055 -1.376 9.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.971 -2.464 8.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.386 -1.209 9.370 1.00 0.00 H new ATOM 669 N VAL A 44 -6.025 -0.930 1.772 1.00 0.00 N ATOM 670 CA VAL A 44 -6.594 -0.856 0.420 1.00 0.00 C ATOM 671 C VAL A 44 -6.630 -2.237 -0.243 1.00 0.00 C ATOM 672 O VAL A 44 -7.576 -2.557 -0.967 1.00 0.00 O ATOM 673 CB VAL A 44 -5.807 0.120 -0.471 1.00 0.00 C ATOM 674 CG1 VAL A 44 -6.002 1.551 0.036 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.314 -0.219 -0.450 1.00 0.00 C ATOM 0 H VAL A 44 -5.103 -0.505 1.871 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.614 -0.487 0.526 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.178 0.033 -1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.443 2.241 -0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.061 1.807 0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.641 1.626 1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.773 0.482 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.939 -0.147 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.166 -1.234 -0.820 1.00 0.00 H new ATOM 685 N MET A 45 -5.601 -3.056 0.012 1.00 0.00 N ATOM 686 CA MET A 45 -5.543 -4.403 -0.565 1.00 0.00 C ATOM 687 C MET A 45 -6.660 -5.281 -0.003 1.00 0.00 C ATOM 688 O MET A 45 -7.204 -6.133 -0.706 1.00 0.00 O ATOM 689 CB MET A 45 -4.196 -5.064 -0.269 1.00 0.00 C ATOM 690 CG MET A 45 -3.080 -4.259 -0.935 1.00 0.00 C ATOM 691 SD MET A 45 -1.498 -5.102 -0.692 1.00 0.00 S ATOM 692 CE MET A 45 -1.278 -4.657 1.048 1.00 0.00 C ATOM 0 H MET A 45 -4.808 -2.813 0.606 1.00 0.00 H new ATOM 0 HA MET A 45 -5.667 -4.303 -1.643 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.031 -5.114 0.807 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.192 -6.089 -0.640 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.284 -4.147 -2.000 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.038 -3.256 -0.511 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.222 -4.723 1.310 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.629 -3.638 1.210 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.851 -5.341 1.674 1.00 0.00 H new ATOM 702 N ARG A 46 -6.998 -5.054 1.269 1.00 0.00 N ATOM 703 CA ARG A 46 -8.061 -5.822 1.927 1.00 0.00 C ATOM 704 C ARG A 46 -9.386 -5.650 1.184 1.00 0.00 C ATOM 705 O ARG A 46 -10.134 -6.612 0.998 1.00 0.00 O ATOM 706 CB ARG A 46 -8.243 -5.361 3.379 1.00 0.00 C ATOM 707 CG ARG A 46 -7.414 -6.251 4.305 1.00 0.00 C ATOM 708 CD ARG A 46 -7.995 -6.203 5.721 1.00 0.00 C ATOM 709 NE ARG A 46 -7.902 -7.515 6.367 1.00 0.00 N ATOM 710 CZ ARG A 46 -8.100 -7.670 7.683 1.00 0.00 C ATOM 711 NH1 ARG A 46 -8.407 -6.644 8.442 1.00 0.00 N ATOM 712 NH2 ARG A 46 -7.991 -8.861 8.216 1.00 0.00 N ATOM 0 H ARG A 46 -6.556 -4.351 1.861 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.769 -6.872 1.914 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.933 -4.321 3.483 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.296 -5.409 3.658 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.414 -7.277 3.936 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.377 -5.916 4.315 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.459 -5.462 6.314 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.037 -5.886 5.681 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.680 -8.333 5.799 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.497 -5.715 8.031 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.555 -6.776 9.443 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.757 -9.662 7.630 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.140 -8.987 9.217 1.00 0.00 H new ATOM 726 N MET A 47 -9.661 -4.412 0.756 1.00 0.00 N ATOM 727 CA MET A 47 -10.894 -4.114 0.024 1.00 0.00 C ATOM 728 C MET A 47 -10.859 -4.733 -1.376 1.00 0.00 C ATOM 729 O MET A 47 -11.885 -5.185 -1.888 1.00 0.00 O ATOM 730 CB MET A 47 -11.092 -2.599 -0.103 1.00 0.00 C ATOM 731 CG MET A 47 -11.794 -2.071 1.150 1.00 0.00 C ATOM 732 SD MET A 47 -12.649 -0.525 0.758 1.00 0.00 S ATOM 733 CE MET A 47 -13.833 -0.566 2.126 1.00 0.00 C ATOM 0 H MET A 47 -9.051 -3.608 0.903 1.00 0.00 H new ATOM 0 HA MET A 47 -11.724 -4.543 0.585 1.00 0.00 H new ATOM 0 HB2 MET A 47 -10.129 -2.105 -0.229 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.685 -2.372 -0.989 1.00 0.00 H new ATOM 0 HG2 MET A 47 -12.506 -2.809 1.519 1.00 0.00 H new ATOM 0 HG3 MET A 47 -11.066 -1.905 1.945 1.00 0.00 H new ATOM 0 HE1 MET A 47 -14.475 0.314 2.078 1.00 0.00 H new ATOM 0 HE2 MET A 47 -14.444 -1.466 2.052 1.00 0.00 H new ATOM 0 HE3 MET A 47 -13.294 -0.571 3.074 1.00 0.00 H new ATOM 743 N LEU A 48 -9.667 -4.753 -1.987 1.00 0.00 N ATOM 744 CA LEU A 48 -9.511 -5.324 -3.329 1.00 0.00 C ATOM 745 C LEU A 48 -9.703 -6.843 -3.289 1.00 0.00 C ATOM 746 O LEU A 48 -10.599 -7.382 -3.940 1.00 0.00 O ATOM 747 CB LEU A 48 -8.125 -5.005 -3.899 1.00 0.00 C ATOM 748 CG LEU A 48 -8.021 -3.675 -4.651 1.00 0.00 C ATOM 749 CD1 LEU A 48 -6.562 -3.213 -4.674 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.519 -3.860 -6.088 1.00 0.00 C ATOM 0 H LEU A 48 -8.808 -4.385 -1.579 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.271 -4.879 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.405 -4.999 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.833 -5.810 -4.574 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.632 -2.926 -4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.489 -2.266 -5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.206 -3.081 -3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.951 -3.963 -5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.445 -2.913 -6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.909 -4.610 -6.591 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.558 -4.188 -6.073 1.00 0.00 H new ATOM 762 N GLY A 49 -8.852 -7.521 -2.511 1.00 0.00 N ATOM 763 CA GLY A 49 -8.934 -8.979 -2.382 1.00 0.00 C ATOM 764 C GLY A 49 -7.575 -9.586 -2.025 1.00 0.00 C ATOM 765 O GLY A 49 -7.149 -10.572 -2.629 1.00 0.00 O ATOM 0 H GLY A 49 -8.106 -7.088 -1.966 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.663 -9.237 -1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.292 -9.409 -3.318 1.00 0.00 H new ATOM 769 N GLN A 50 -6.902 -8.987 -1.034 1.00 0.00 N ATOM 770 CA GLN A 50 -5.590 -9.474 -0.596 1.00 0.00 C ATOM 771 C GLN A 50 -5.311 -9.040 0.844 1.00 0.00 C ATOM 772 O GLN A 50 -5.791 -7.997 1.294 1.00 0.00 O ATOM 773 CB GLN A 50 -4.481 -8.928 -1.503 1.00 0.00 C ATOM 774 CG GLN A 50 -4.093 -9.992 -2.533 1.00 0.00 C ATOM 775 CD GLN A 50 -2.595 -9.910 -2.819 1.00 0.00 C ATOM 776 OE1 GLN A 50 -2.143 -9.020 -3.539 1.00 0.00 O ATOM 777 NE2 GLN A 50 -1.792 -10.795 -2.295 1.00 0.00 N ATOM 0 H GLN A 50 -7.242 -8.171 -0.525 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.602 -10.562 -0.653 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.822 -8.025 -2.009 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.612 -8.651 -0.906 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.348 -10.984 -2.159 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.657 -9.844 -3.454 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.166 -11.533 -1.698 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.790 -10.749 -2.482 1.00 0.00 H new ATOM 786 N ASN A 51 -4.527 -9.849 1.562 1.00 0.00 N ATOM 787 CA ASN A 51 -4.192 -9.529 2.951 1.00 0.00 C ATOM 788 C ASN A 51 -2.798 -10.052 3.319 1.00 0.00 C ATOM 789 O ASN A 51 -2.660 -11.117 3.927 1.00 0.00 O ATOM 790 CB ASN A 51 -5.236 -10.127 3.905 1.00 0.00 C ATOM 791 CG ASN A 51 -5.021 -9.578 5.315 1.00 0.00 C ATOM 792 OD1 ASN A 51 -4.804 -10.339 6.257 1.00 0.00 O ATOM 793 ND2 ASN A 51 -5.067 -8.287 5.519 1.00 0.00 N ATOM 0 H ASN A 51 -4.119 -10.716 1.212 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.192 -8.444 3.051 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.240 -9.883 3.559 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.156 -11.214 3.912 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.923 -7.913 6.457 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.247 -7.654 4.740 1.00 0.00 H new ATOM 800 N PRO A 52 -1.753 -9.292 2.968 1.00 0.00 N ATOM 801 CA PRO A 52 -0.358 -9.662 3.277 1.00 0.00 C ATOM 802 C PRO A 52 0.048 -9.238 4.689 1.00 0.00 C ATOM 803 O PRO A 52 -0.793 -8.853 5.506 1.00 0.00 O ATOM 804 CB PRO A 52 0.425 -8.863 2.239 1.00 0.00 C ATOM 805 CG PRO A 52 -0.450 -7.685 1.832 1.00 0.00 C ATOM 806 CD PRO A 52 -1.893 -8.016 2.236 1.00 0.00 C ATOM 0 HA PRO A 52 -0.188 -10.738 3.242 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.371 -8.516 2.653 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.664 -9.483 1.375 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.115 -6.772 2.323 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.383 -7.512 0.758 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.324 -7.237 2.864 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.541 -8.120 1.366 1.00 0.00 H new ATOM 814 N THR A 53 1.351 -9.291 4.955 1.00 0.00 N ATOM 815 CA THR A 53 1.875 -8.889 6.259 1.00 0.00 C ATOM 816 C THR A 53 2.275 -7.413 6.204 1.00 0.00 C ATOM 817 O THR A 53 2.363 -6.830 5.120 1.00 0.00 O ATOM 818 CB THR A 53 3.100 -9.739 6.639 1.00 0.00 C ATOM 819 OG1 THR A 53 4.206 -9.388 5.817 1.00 0.00 O ATOM 820 CG2 THR A 53 2.779 -11.219 6.449 1.00 0.00 C ATOM 0 H THR A 53 2.059 -9.606 4.291 1.00 0.00 H new ATOM 0 HA THR A 53 1.102 -9.041 7.012 1.00 0.00 H new ATOM 0 HB THR A 53 3.351 -9.552 7.683 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.983 -9.931 6.065 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.649 -11.818 6.719 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.938 -11.493 7.086 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.521 -11.404 5.406 1.00 0.00 H new ATOM 828 N PRO A 54 2.543 -6.795 7.358 1.00 0.00 N ATOM 829 CA PRO A 54 2.955 -5.377 7.396 1.00 0.00 C ATOM 830 C PRO A 54 4.353 -5.177 6.817 1.00 0.00 C ATOM 831 O PRO A 54 4.677 -4.108 6.299 1.00 0.00 O ATOM 832 CB PRO A 54 2.901 -5.054 8.883 1.00 0.00 C ATOM 833 CG PRO A 54 3.015 -6.377 9.625 1.00 0.00 C ATOM 834 CD PRO A 54 2.471 -7.453 8.682 1.00 0.00 C ATOM 0 HA PRO A 54 2.321 -4.727 6.793 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.713 -4.383 9.162 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.969 -4.549 9.135 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.051 -6.584 9.892 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.445 -6.351 10.554 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.072 -8.362 8.715 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.450 -7.737 8.938 1.00 0.00 H new ATOM 842 N GLU A 55 5.165 -6.235 6.890 1.00 0.00 N ATOM 843 CA GLU A 55 6.524 -6.197 6.348 1.00 0.00 C ATOM 844 C GLU A 55 6.486 -6.419 4.834 1.00 0.00 C ATOM 845 O GLU A 55 7.270 -5.827 4.089 1.00 0.00 O ATOM 846 CB GLU A 55 7.398 -7.283 6.988 1.00 0.00 C ATOM 847 CG GLU A 55 7.175 -7.304 8.503 1.00 0.00 C ATOM 848 CD GLU A 55 8.199 -8.223 9.161 1.00 0.00 C ATOM 849 OE1 GLU A 55 9.275 -7.746 9.483 1.00 0.00 O ATOM 850 OE2 GLU A 55 7.892 -9.392 9.336 1.00 0.00 O ATOM 0 H GLU A 55 4.906 -7.124 7.317 1.00 0.00 H new ATOM 0 HA GLU A 55 6.951 -5.219 6.572 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.154 -8.256 6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.449 -7.093 6.769 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.264 -6.296 8.907 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.166 -7.649 8.727 1.00 0.00 H new ATOM 857 N GLU A 56 5.559 -7.282 4.390 1.00 0.00 N ATOM 858 CA GLU A 56 5.413 -7.584 2.963 1.00 0.00 C ATOM 859 C GLU A 56 4.978 -6.339 2.192 1.00 0.00 C ATOM 860 O GLU A 56 5.677 -5.889 1.282 1.00 0.00 O ATOM 861 CB GLU A 56 4.377 -8.690 2.745 1.00 0.00 C ATOM 862 CG GLU A 56 5.075 -10.053 2.738 1.00 0.00 C ATOM 863 CD GLU A 56 4.033 -11.157 2.587 1.00 0.00 C ATOM 864 OE1 GLU A 56 3.475 -11.277 1.508 1.00 0.00 O ATOM 865 OE2 GLU A 56 3.807 -11.865 3.554 1.00 0.00 O ATOM 0 H GLU A 56 4.905 -7.778 4.996 1.00 0.00 H new ATOM 0 HA GLU A 56 6.383 -7.920 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.625 -8.659 3.534 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.855 -8.532 1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.793 -10.102 1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.636 -10.191 3.663 1.00 0.00 H new ATOM 872 N LEU A 57 3.815 -5.787 2.565 1.00 0.00 N ATOM 873 CA LEU A 57 3.297 -4.588 1.898 1.00 0.00 C ATOM 874 C LEU A 57 4.295 -3.424 1.988 1.00 0.00 C ATOM 875 O LEU A 57 4.341 -2.573 1.099 1.00 0.00 O ATOM 876 CB LEU A 57 1.963 -4.155 2.516 1.00 0.00 C ATOM 877 CG LEU A 57 2.039 -3.613 3.948 1.00 0.00 C ATOM 878 CD1 LEU A 57 2.154 -2.085 3.918 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.772 -4.014 4.708 1.00 0.00 C ATOM 0 H LEU A 57 3.224 -6.146 3.314 1.00 0.00 H new ATOM 0 HA LEU A 57 3.145 -4.843 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.521 -3.388 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.285 -5.008 2.505 1.00 0.00 H new ATOM 0 HG LEU A 57 2.914 -4.029 4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.208 -1.704 4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.055 -1.799 3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.281 -1.664 3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.822 -3.630 5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.101 -3.597 4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.691 -5.101 4.733 1.00 0.00 H new ATOM 891 N GLN A 58 5.090 -3.397 3.068 1.00 0.00 N ATOM 892 CA GLN A 58 6.082 -2.332 3.256 1.00 0.00 C ATOM 893 C GLN A 58 7.075 -2.309 2.094 1.00 0.00 C ATOM 894 O GLN A 58 7.421 -1.242 1.584 1.00 0.00 O ATOM 895 CB GLN A 58 6.851 -2.525 4.567 1.00 0.00 C ATOM 896 CG GLN A 58 7.532 -1.210 4.967 1.00 0.00 C ATOM 897 CD GLN A 58 6.474 -0.145 5.251 1.00 0.00 C ATOM 898 OE1 GLN A 58 5.974 -0.041 6.371 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.097 0.660 4.292 1.00 0.00 N ATOM 0 H GLN A 58 5.066 -4.091 3.815 1.00 0.00 H new ATOM 0 HA GLN A 58 5.544 -1.385 3.293 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.170 -2.847 5.355 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.597 -3.311 4.450 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.152 -1.365 5.850 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.194 -0.875 4.168 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.510 0.575 3.363 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.390 1.373 4.473 1.00 0.00 H new ATOM 908 N GLU A 59 7.520 -3.499 1.674 1.00 0.00 N ATOM 909 CA GLU A 59 8.461 -3.600 0.557 1.00 0.00 C ATOM 910 C GLU A 59 7.854 -2.971 -0.695 1.00 0.00 C ATOM 911 O GLU A 59 8.531 -2.253 -1.431 1.00 0.00 O ATOM 912 CB GLU A 59 8.813 -5.063 0.266 1.00 0.00 C ATOM 913 CG GLU A 59 9.899 -5.534 1.239 1.00 0.00 C ATOM 914 CD GLU A 59 11.275 -5.166 0.687 1.00 0.00 C ATOM 915 OE1 GLU A 59 11.699 -4.042 0.903 1.00 0.00 O ATOM 916 OE2 GLU A 59 11.885 -6.014 0.057 1.00 0.00 O ATOM 0 H GLU A 59 7.248 -4.392 2.085 1.00 0.00 H new ATOM 0 HA GLU A 59 9.371 -3.068 0.834 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.925 -5.688 0.366 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.162 -5.166 -0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.752 -5.072 2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.830 -6.612 1.383 1.00 0.00 H new ATOM 923 N MET A 60 6.559 -3.238 -0.918 1.00 0.00 N ATOM 924 CA MET A 60 5.852 -2.684 -2.076 1.00 0.00 C ATOM 925 C MET A 60 5.856 -1.156 -2.027 1.00 0.00 C ATOM 926 O MET A 60 6.061 -0.502 -3.046 1.00 0.00 O ATOM 927 CB MET A 60 4.401 -3.178 -2.115 1.00 0.00 C ATOM 928 CG MET A 60 4.381 -4.684 -2.375 1.00 0.00 C ATOM 929 SD MET A 60 2.711 -5.192 -2.855 1.00 0.00 S ATOM 930 CE MET A 60 2.741 -6.820 -2.067 1.00 0.00 C ATOM 0 H MET A 60 5.986 -3.829 -0.316 1.00 0.00 H new ATOM 0 HA MET A 60 6.371 -3.021 -2.973 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.904 -2.955 -1.171 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.849 -2.656 -2.897 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.090 -4.937 -3.163 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.693 -5.222 -1.480 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.790 -7.325 -2.238 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.549 -7.415 -2.492 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.902 -6.703 -0.995 1.00 0.00 H new ATOM 940 N ILE A 61 5.629 -0.600 -0.829 1.00 0.00 N ATOM 941 CA ILE A 61 5.608 0.852 -0.640 1.00 0.00 C ATOM 942 C ILE A 61 6.869 1.495 -1.227 1.00 0.00 C ATOM 943 O ILE A 61 6.805 2.194 -2.235 1.00 0.00 O ATOM 944 CB ILE A 61 5.515 1.182 0.860 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.142 0.761 1.412 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.720 2.681 1.081 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.029 1.173 0.445 1.00 0.00 C ATOM 0 H ILE A 61 5.458 -1.136 0.022 1.00 0.00 H new ATOM 0 HA ILE A 61 4.737 1.253 -1.159 1.00 0.00 H new ATOM 0 HB ILE A 61 6.295 0.632 1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.119 -0.318 1.564 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.977 1.224 2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.652 2.904 2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.703 2.972 0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.951 3.236 0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.064 0.868 0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.042 2.255 0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.187 0.690 -0.519 1.00 0.00 H new ATOM 959 N ASP A 62 8.008 1.257 -0.575 1.00 0.00 N ATOM 960 CA ASP A 62 9.285 1.824 -1.031 1.00 0.00 C ATOM 961 C ASP A 62 9.587 1.446 -2.489 1.00 0.00 C ATOM 962 O ASP A 62 10.173 2.237 -3.231 1.00 0.00 O ATOM 963 CB ASP A 62 10.436 1.334 -0.145 1.00 0.00 C ATOM 964 CG ASP A 62 11.496 2.429 -0.034 1.00 0.00 C ATOM 965 OD1 ASP A 62 12.329 2.512 -0.921 1.00 0.00 O ATOM 966 OD2 ASP A 62 11.457 3.166 0.937 1.00 0.00 O ATOM 0 H ASP A 62 8.076 0.681 0.264 1.00 0.00 H new ATOM 0 HA ASP A 62 9.195 2.908 -0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.062 1.074 0.845 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.875 0.430 -0.567 1.00 0.00 H new ATOM 971 N GLU A 63 9.195 0.230 -2.886 1.00 0.00 N ATOM 972 CA GLU A 63 9.442 -0.244 -4.253 1.00 0.00 C ATOM 973 C GLU A 63 8.662 0.573 -5.292 1.00 0.00 C ATOM 974 O GLU A 63 9.180 0.870 -6.371 1.00 0.00 O ATOM 975 CB GLU A 63 9.046 -1.721 -4.389 1.00 0.00 C ATOM 976 CG GLU A 63 10.190 -2.612 -3.891 1.00 0.00 C ATOM 977 CD GLU A 63 11.101 -2.982 -5.058 1.00 0.00 C ATOM 978 OE1 GLU A 63 11.948 -2.175 -5.402 1.00 0.00 O ATOM 979 OE2 GLU A 63 10.937 -4.069 -5.590 1.00 0.00 O ATOM 0 H GLU A 63 8.710 -0.438 -2.287 1.00 0.00 H new ATOM 0 HA GLU A 63 10.509 -0.122 -4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.141 -1.919 -3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.819 -1.952 -5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.761 -2.091 -3.123 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.787 -3.515 -3.432 1.00 0.00 H new ATOM 986 N VAL A 64 7.411 0.920 -4.968 1.00 0.00 N ATOM 987 CA VAL A 64 6.570 1.687 -5.900 1.00 0.00 C ATOM 988 C VAL A 64 6.768 3.196 -5.738 1.00 0.00 C ATOM 989 O VAL A 64 6.639 3.947 -6.706 1.00 0.00 O ATOM 990 CB VAL A 64 5.081 1.359 -5.704 1.00 0.00 C ATOM 991 CG1 VAL A 64 4.873 -0.159 -5.730 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.590 1.920 -4.364 1.00 0.00 C ATOM 0 H VAL A 64 6.962 0.687 -4.082 1.00 0.00 H new ATOM 0 HA VAL A 64 6.880 1.396 -6.904 1.00 0.00 H new ATOM 0 HB VAL A 64 4.512 1.816 -6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.816 -0.384 -5.590 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.205 -0.555 -6.690 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.451 -0.619 -4.928 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.534 1.682 -4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.164 1.475 -3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.722 3.002 -4.352 1.00 0.00 H new ATOM 1002 N ASP A 65 7.067 3.635 -4.508 1.00 0.00 N ATOM 1003 CA ASP A 65 7.264 5.059 -4.243 1.00 0.00 C ATOM 1004 C ASP A 65 8.547 5.539 -4.917 1.00 0.00 C ATOM 1005 O ASP A 65 9.637 5.474 -4.342 1.00 0.00 O ATOM 1006 CB ASP A 65 7.337 5.331 -2.734 1.00 0.00 C ATOM 1007 CG ASP A 65 6.561 6.606 -2.398 1.00 0.00 C ATOM 1008 OD1 ASP A 65 6.888 7.645 -2.948 1.00 0.00 O ATOM 1009 OD2 ASP A 65 5.648 6.523 -1.594 1.00 0.00 O ATOM 0 H ASP A 65 7.176 3.031 -3.693 1.00 0.00 H new ATOM 0 HA ASP A 65 6.413 5.604 -4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.923 4.487 -2.183 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.377 5.435 -2.424 1.00 0.00 H new ATOM 1014 N GLU A 66 8.400 5.999 -6.161 1.00 0.00 N ATOM 1015 CA GLU A 66 9.545 6.475 -6.947 1.00 0.00 C ATOM 1016 C GLU A 66 10.238 7.659 -6.272 1.00 0.00 C ATOM 1017 O GLU A 66 11.467 7.696 -6.177 1.00 0.00 O ATOM 1018 CB GLU A 66 9.099 6.896 -8.349 1.00 0.00 C ATOM 1019 CG GLU A 66 8.970 5.657 -9.240 1.00 0.00 C ATOM 1020 CD GLU A 66 8.791 6.087 -10.692 1.00 0.00 C ATOM 1021 OE1 GLU A 66 7.655 6.276 -11.098 1.00 0.00 O ATOM 1022 OE2 GLU A 66 9.791 6.220 -11.379 1.00 0.00 O ATOM 0 H GLU A 66 7.504 6.053 -6.646 1.00 0.00 H new ATOM 0 HA GLU A 66 10.251 5.647 -7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.144 7.419 -8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.821 7.591 -8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.858 5.032 -9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.119 5.054 -8.921 1.00 0.00 H new ATOM 1029 N ASP A 67 9.443 8.626 -5.809 1.00 0.00 N ATOM 1030 CA ASP A 67 10.002 9.814 -5.152 1.00 0.00 C ATOM 1031 C ASP A 67 10.349 9.522 -3.687 1.00 0.00 C ATOM 1032 O ASP A 67 11.339 10.038 -3.163 1.00 0.00 O ATOM 1033 CB ASP A 67 9.022 10.998 -5.219 1.00 0.00 C ATOM 1034 CG ASP A 67 7.622 10.558 -4.790 1.00 0.00 C ATOM 1035 OD1 ASP A 67 7.344 10.605 -3.606 1.00 0.00 O ATOM 1036 OD2 ASP A 67 6.848 10.183 -5.657 1.00 0.00 O ATOM 0 H ASP A 67 8.425 8.614 -5.874 1.00 0.00 H new ATOM 0 HA ASP A 67 10.914 10.079 -5.687 1.00 0.00 H new ATOM 0 HB2 ASP A 67 9.371 11.804 -4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.990 11.395 -6.234 1.00 0.00 H new ATOM 1041 N GLY A 68 9.529 8.692 -3.032 1.00 0.00 N ATOM 1042 CA GLY A 68 9.761 8.342 -1.629 1.00 0.00 C ATOM 1043 C GLY A 68 9.427 9.519 -0.719 1.00 0.00 C ATOM 1044 O GLY A 68 10.259 9.957 0.081 1.00 0.00 O ATOM 0 H GLY A 68 8.707 8.255 -3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.150 7.481 -1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.802 8.051 -1.489 1.00 0.00 H new ATOM 1048 N SER A 69 8.204 10.030 -0.858 1.00 0.00 N ATOM 1049 CA SER A 69 7.758 11.168 -0.056 1.00 0.00 C ATOM 1050 C SER A 69 7.105 10.703 1.247 1.00 0.00 C ATOM 1051 O SER A 69 7.471 11.155 2.335 1.00 0.00 O ATOM 1052 CB SER A 69 6.752 12.011 -0.847 1.00 0.00 C ATOM 1053 OG SER A 69 5.723 11.170 -1.362 1.00 0.00 O ATOM 0 H SER A 69 7.508 9.676 -1.515 1.00 0.00 H new ATOM 0 HA SER A 69 8.636 11.768 0.184 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.321 12.778 -0.204 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.257 12.526 -1.664 1.00 0.00 H new ATOM 0 HG SER A 69 6.010 10.788 -2.218 1.00 0.00 H new ATOM 1059 N GLY A 70 6.125 9.807 1.120 1.00 0.00 N ATOM 1060 CA GLY A 70 5.404 9.287 2.283 1.00 0.00 C ATOM 1061 C GLY A 70 4.018 8.787 1.876 1.00 0.00 C ATOM 1062 O GLY A 70 3.493 7.838 2.459 1.00 0.00 O ATOM 0 H GLY A 70 5.813 9.427 0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.971 8.474 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.308 10.068 3.037 1.00 0.00 H new ATOM 1066 N THR A 71 3.437 9.436 0.863 1.00 0.00 N ATOM 1067 CA THR A 71 2.116 9.051 0.371 1.00 0.00 C ATOM 1068 C THR A 71 2.249 8.281 -0.941 1.00 0.00 C ATOM 1069 O THR A 71 3.190 8.495 -1.711 1.00 0.00 O ATOM 1070 CB THR A 71 1.242 10.290 0.142 1.00 0.00 C ATOM 1071 OG1 THR A 71 1.816 11.097 -0.879 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.144 11.096 1.436 1.00 0.00 C ATOM 0 H THR A 71 3.859 10.224 0.372 1.00 0.00 H new ATOM 0 HA THR A 71 1.645 8.417 1.122 1.00 0.00 H new ATOM 0 HB THR A 71 0.244 9.975 -0.164 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.255 11.887 -1.025 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.522 11.976 1.270 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.699 10.479 2.216 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.141 11.409 1.746 1.00 0.00 H new ATOM 1080 N VAL A 72 1.294 7.383 -1.190 1.00 0.00 N ATOM 1081 CA VAL A 72 1.313 6.587 -2.414 1.00 0.00 C ATOM 1082 C VAL A 72 0.381 7.199 -3.455 1.00 0.00 C ATOM 1083 O VAL A 72 -0.820 7.347 -3.223 1.00 0.00 O ATOM 1084 CB VAL A 72 0.880 5.143 -2.143 1.00 0.00 C ATOM 1085 CG1 VAL A 72 1.124 4.294 -3.394 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.688 4.572 -0.973 1.00 0.00 C ATOM 0 H VAL A 72 0.508 7.192 -0.568 1.00 0.00 H new ATOM 0 HA VAL A 72 2.336 6.583 -2.790 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.180 5.126 -1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.816 3.266 -3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.546 4.697 -4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.184 4.314 -3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.377 3.545 -0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.749 4.590 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.513 5.175 -0.082 1.00 0.00 H new ATOM 1096 N ASP A 73 0.954 7.544 -4.606 1.00 0.00 N ATOM 1097 CA ASP A 73 0.173 8.137 -5.693 1.00 0.00 C ATOM 1098 C ASP A 73 -0.485 7.033 -6.515 1.00 0.00 C ATOM 1099 O ASP A 73 -0.185 5.852 -6.337 1.00 0.00 O ATOM 1100 CB ASP A 73 1.074 8.972 -6.616 1.00 0.00 C ATOM 1101 CG ASP A 73 1.908 9.953 -5.792 1.00 0.00 C ATOM 1102 OD1 ASP A 73 2.984 9.571 -5.359 1.00 0.00 O ATOM 1103 OD2 ASP A 73 1.462 11.073 -5.611 1.00 0.00 O ATOM 0 H ASP A 73 1.946 7.425 -4.811 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.587 8.783 -5.255 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.730 8.315 -7.187 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.464 9.517 -7.336 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.384 7.427 -7.419 1.00 0.00 N ATOM 1109 CA PHE A 74 -2.075 6.451 -8.266 1.00 0.00 C ATOM 1110 C PHE A 74 -1.071 5.698 -9.142 1.00 0.00 C ATOM 1111 O PHE A 74 -1.243 4.508 -9.410 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.117 7.141 -9.155 1.00 0.00 C ATOM 1113 CG PHE A 74 -4.094 6.120 -9.698 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.575 5.092 -8.874 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.517 6.202 -11.029 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.477 4.151 -9.384 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.420 5.261 -11.538 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.899 4.235 -10.715 1.00 0.00 C ATOM 0 H PHE A 74 -1.648 8.398 -7.583 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.584 5.742 -7.614 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.651 7.898 -8.582 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.621 7.655 -9.978 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.250 5.026 -7.846 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.146 6.992 -11.665 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.847 3.359 -8.749 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.747 5.327 -12.565 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.595 3.508 -11.108 1.00 0.00 H new ATOM 1128 N ASP A 75 -0.009 6.396 -9.565 1.00 0.00 N ATOM 1129 CA ASP A 75 1.028 5.777 -10.391 1.00 0.00 C ATOM 1130 C ASP A 75 1.782 4.722 -9.583 1.00 0.00 C ATOM 1131 O ASP A 75 2.095 3.643 -10.089 1.00 0.00 O ATOM 1132 CB ASP A 75 2.021 6.832 -10.885 1.00 0.00 C ATOM 1133 CG ASP A 75 1.521 7.430 -12.196 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.774 8.393 -12.137 1.00 0.00 O ATOM 1135 OD2 ASP A 75 1.891 6.915 -13.238 1.00 0.00 O ATOM 0 H ASP A 75 0.151 7.380 -9.350 1.00 0.00 H new ATOM 0 HA ASP A 75 0.546 5.308 -11.248 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.137 7.616 -10.137 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.003 6.382 -11.030 1.00 0.00 H new ATOM 1140 N GLU A 76 2.052 5.044 -8.313 1.00 0.00 N ATOM 1141 CA GLU A 76 2.754 4.116 -7.419 1.00 0.00 C ATOM 1142 C GLU A 76 1.798 3.013 -6.942 1.00 0.00 C ATOM 1143 O GLU A 76 2.227 1.934 -6.529 1.00 0.00 O ATOM 1144 CB GLU A 76 3.316 4.860 -6.198 1.00 0.00 C ATOM 1145 CG GLU A 76 3.883 6.220 -6.630 1.00 0.00 C ATOM 1146 CD GLU A 76 4.567 6.916 -5.448 1.00 0.00 C ATOM 1147 OE1 GLU A 76 4.033 6.860 -4.351 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.612 7.507 -5.662 1.00 0.00 O ATOM 0 H GLU A 76 1.797 5.933 -7.883 1.00 0.00 H new ATOM 0 HA GLU A 76 3.578 3.669 -7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.531 5.003 -5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.097 4.264 -5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.598 6.082 -7.441 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.081 6.849 -7.016 1.00 0.00 H new ATOM 1155 N PHE A 77 0.496 3.301 -7.011 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.534 2.346 -6.599 1.00 0.00 C ATOM 1157 C PHE A 77 -0.748 1.273 -7.674 1.00 0.00 C ATOM 1158 O PHE A 77 -0.966 0.101 -7.361 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.857 3.088 -6.351 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.917 2.130 -5.861 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.849 1.611 -4.561 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.973 1.766 -6.706 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.837 0.729 -4.108 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.961 0.886 -6.251 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.894 0.367 -4.953 1.00 0.00 C ATOM 0 H PHE A 77 0.130 4.191 -7.349 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.203 1.859 -5.682 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.705 3.879 -5.616 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.190 3.568 -7.271 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.035 1.891 -3.909 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.025 2.164 -7.708 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.784 0.327 -3.107 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.776 0.607 -6.902 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.657 -0.312 -4.603 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.701 1.693 -8.945 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.908 0.771 -10.065 1.00 0.00 C ATOM 1177 C LEU A 78 0.321 -0.105 -10.330 1.00 0.00 C ATOM 1178 O LEU A 78 0.182 -1.276 -10.690 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.235 1.558 -11.330 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.542 2.349 -11.273 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.395 3.620 -12.109 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.682 1.493 -11.829 1.00 0.00 C ATOM 0 H LEU A 78 -0.523 2.659 -9.220 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.738 0.118 -9.794 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.417 2.249 -11.533 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.282 0.865 -12.170 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.767 2.616 -10.240 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.324 4.189 -12.073 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.582 4.226 -11.709 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.174 3.352 -13.142 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.614 2.057 -11.788 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.465 1.225 -12.863 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.780 0.586 -11.232 1.00 0.00 H new ATOM 1194 N VAL A 79 1.522 0.467 -10.163 1.00 0.00 N ATOM 1195 CA VAL A 79 2.761 -0.292 -10.402 1.00 0.00 C ATOM 1196 C VAL A 79 2.839 -1.526 -9.500 1.00 0.00 C ATOM 1197 O VAL A 79 3.447 -2.529 -9.866 1.00 0.00 O ATOM 1198 CB VAL A 79 4.016 0.563 -10.171 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.168 1.578 -11.308 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.913 1.303 -8.835 1.00 0.00 C ATOM 0 H VAL A 79 1.663 1.434 -9.869 1.00 0.00 H new ATOM 0 HA VAL A 79 2.730 -0.600 -11.447 1.00 0.00 H new ATOM 0 HB VAL A 79 4.887 -0.091 -10.149 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.060 2.182 -11.140 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.261 1.050 -12.257 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.291 2.225 -11.338 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.809 1.905 -8.683 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.037 1.951 -8.845 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.820 0.580 -8.025 1.00 0.00 H new ATOM 1210 N MET A 80 2.214 -1.440 -8.322 1.00 0.00 N ATOM 1211 CA MET A 80 2.210 -2.556 -7.368 1.00 0.00 C ATOM 1212 C MET A 80 1.843 -3.882 -8.054 1.00 0.00 C ATOM 1213 O MET A 80 2.360 -4.940 -7.690 1.00 0.00 O ATOM 1214 CB MET A 80 1.202 -2.282 -6.249 1.00 0.00 C ATOM 1215 CG MET A 80 1.898 -1.560 -5.093 1.00 0.00 C ATOM 1216 SD MET A 80 0.733 -1.357 -3.722 1.00 0.00 S ATOM 1217 CE MET A 80 0.822 0.446 -3.597 1.00 0.00 C ATOM 0 H MET A 80 1.706 -0.614 -8.006 1.00 0.00 H new ATOM 0 HA MET A 80 3.216 -2.642 -6.957 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.380 -1.674 -6.628 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.770 -3.219 -5.898 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.767 -2.130 -4.765 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.261 -0.587 -5.423 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.337 0.722 -2.677 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.369 0.843 -4.452 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.186 0.860 -3.587 1.00 0.00 H new ATOM 1227 N MET A 81 0.948 -3.811 -9.047 1.00 0.00 N ATOM 1228 CA MET A 81 0.517 -5.009 -9.777 1.00 0.00 C ATOM 1229 C MET A 81 1.633 -5.532 -10.688 1.00 0.00 C ATOM 1230 O MET A 81 2.034 -6.692 -10.587 1.00 0.00 O ATOM 1231 CB MET A 81 -0.719 -4.706 -10.630 1.00 0.00 C ATOM 1232 CG MET A 81 -1.984 -4.894 -9.791 1.00 0.00 C ATOM 1233 SD MET A 81 -2.357 -6.659 -9.641 1.00 0.00 S ATOM 1234 CE MET A 81 -4.160 -6.520 -9.714 1.00 0.00 C ATOM 0 H MET A 81 0.511 -2.944 -9.361 1.00 0.00 H new ATOM 0 HA MET A 81 0.273 -5.771 -9.037 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.670 -3.685 -11.008 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.745 -5.366 -11.497 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.845 -4.456 -8.803 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.821 -4.373 -10.256 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.605 -7.512 -9.638 1.00 0.00 H new ATOM 0 HE2 MET A 81 -4.511 -5.900 -8.889 1.00 0.00 H new ATOM 0 HE3 MET A 81 -4.452 -6.064 -10.660 1.00 0.00 H new ATOM 1244 N VAL A 82 2.123 -4.663 -11.582 1.00 0.00 N ATOM 1245 CA VAL A 82 3.192 -5.047 -12.518 1.00 0.00 C ATOM 1246 C VAL A 82 4.463 -5.469 -11.770 1.00 0.00 C ATOM 1247 O VAL A 82 5.180 -6.368 -12.213 1.00 0.00 O ATOM 1248 CB VAL A 82 3.529 -3.898 -13.481 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.347 -3.655 -14.421 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.818 -2.617 -12.692 1.00 0.00 C ATOM 0 H VAL A 82 1.802 -3.700 -11.678 1.00 0.00 H new ATOM 0 HA VAL A 82 2.820 -5.895 -13.093 1.00 0.00 H new ATOM 0 HB VAL A 82 4.412 -4.170 -14.060 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.587 -2.840 -15.104 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.145 -4.560 -14.993 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.466 -3.391 -13.837 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.056 -1.809 -13.384 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.941 -2.346 -12.105 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.664 -2.784 -12.025 1.00 0.00 H new ATOM 1260 N ARG A 83 4.728 -4.817 -10.630 1.00 0.00 N ATOM 1261 CA ARG A 83 5.906 -5.138 -9.819 1.00 0.00 C ATOM 1262 C ARG A 83 5.855 -6.590 -9.344 1.00 0.00 C ATOM 1263 O ARG A 83 6.888 -7.252 -9.232 1.00 0.00 O ATOM 1264 CB ARG A 83 5.972 -4.222 -8.594 1.00 0.00 C ATOM 1265 CG ARG A 83 6.226 -2.783 -9.047 1.00 0.00 C ATOM 1266 CD ARG A 83 7.614 -2.337 -8.589 1.00 0.00 C ATOM 1267 NE ARG A 83 8.665 -3.145 -9.216 1.00 0.00 N ATOM 1268 CZ ARG A 83 9.955 -3.010 -8.876 1.00 0.00 C ATOM 1269 NH1 ARG A 83 10.322 -2.118 -7.987 1.00 0.00 N ATOM 1270 NH2 ARG A 83 10.858 -3.771 -9.443 1.00 0.00 N ATOM 0 H ARG A 83 4.146 -4.069 -10.252 1.00 0.00 H new ATOM 0 HA ARG A 83 6.790 -4.990 -10.440 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.039 -4.279 -8.033 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.767 -4.549 -7.924 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.151 -2.714 -10.132 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.465 -2.121 -8.632 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.762 -1.286 -8.839 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.686 -2.420 -7.505 1.00 0.00 H new ATOM 0 HE ARG A 83 8.408 -3.827 -9.929 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.623 -1.519 -7.547 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.306 -2.024 -7.736 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.578 -4.462 -10.139 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.841 -3.673 -9.188 1.00 0.00 H new ATOM 1284 N CYS A 84 4.639 -7.077 -9.076 1.00 0.00 N ATOM 1285 CA CYS A 84 4.451 -8.457 -8.621 1.00 0.00 C ATOM 1286 C CYS A 84 4.615 -9.442 -9.783 1.00 0.00 C ATOM 1287 O CYS A 84 4.931 -10.615 -9.573 1.00 0.00 O ATOM 1288 CB CYS A 84 3.059 -8.638 -8.009 1.00 0.00 C ATOM 1289 SG CYS A 84 3.070 -8.039 -6.301 1.00 0.00 S ATOM 0 H CYS A 84 3.776 -6.540 -9.166 1.00 0.00 H new ATOM 0 HA CYS A 84 5.211 -8.661 -7.866 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.319 -8.091 -8.593 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.772 -9.689 -8.035 1.00 0.00 H new ATOM 0 HG CYS A 84 2.824 -6.763 -6.287 1.00 0.00 H new