USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 839 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 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.2) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.538 F(o=-4!,f=-0.54) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -165:sc= -0.0102 (180deg=-0.261) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 158:sc= 0.559 (180deg=0.209) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -161:sc= -0.0596 (180deg=-0.529) USER MOD Single : A 65 LYS NZ :NH3+ 159:sc= -0.0791 (180deg=-0.555) USER MOD Single : A 67 HIS : no HE2:sc= -0.466 K(o=-0.47,f=-2.1) USER MOD Single : A 75 ASN :FLIP amide:sc= -5.03! C(o=-7.1!,f=-5!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.689 K(o=-0.69,f=-2.1) USER MOD Single : A 91 LYS NZ :NH3+ -162:sc= -1.15! (180deg=-2.02!) USER MOD Single : A 97 HIS : no HD1:sc= -0.58 X(o=-0.58,f=-0.15) USER MOD Single : A 99 MET CE :methyl -129:sc= -0.045 (180deg=-0.596) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 15 -19.622 -17.270 3.925 1.00 0.00 N ATOM 2 CA LYS A 15 -18.426 -17.746 3.177 1.00 0.00 C ATOM 3 C LYS A 15 -18.701 -17.639 1.674 1.00 0.00 C ATOM 4 O LYS A 15 -18.638 -16.543 1.109 1.00 0.00 O ATOM 5 CB LYS A 15 -18.124 -19.193 3.587 1.00 0.00 C ATOM 6 CG LYS A 15 -16.840 -19.675 2.904 1.00 0.00 C ATOM 7 CD LYS A 15 -16.523 -21.104 3.354 1.00 0.00 C ATOM 8 CE LYS A 15 -15.226 -21.572 2.685 1.00 0.00 C ATOM 9 NZ LYS A 15 -14.907 -22.956 3.134 1.00 0.00 N ATOM 0 HA LYS A 15 -17.556 -17.133 3.411 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.016 -19.258 4.670 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.957 -19.839 3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.958 -19.642 1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.012 -19.012 3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.420 -21.141 4.438 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.343 -21.771 3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.334 -21.546 1.601 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.409 -20.898 2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.027 -23.274 2.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.787 -22.967 4.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.684 -23.595 2.869 1.00 0.00 H new ATOM 23 N GLU A 16 -19.294 -18.690 1.115 1.00 0.00 N ATOM 24 CA GLU A 16 -19.600 -18.739 -0.311 1.00 0.00 C ATOM 25 C GLU A 16 -20.644 -17.688 -0.673 1.00 0.00 C ATOM 26 O GLU A 16 -20.432 -16.913 -1.601 1.00 0.00 O ATOM 27 CB GLU A 16 -20.121 -20.140 -0.652 1.00 0.00 C ATOM 28 CG GLU A 16 -20.416 -20.270 -2.153 1.00 0.00 C ATOM 29 CD GLU A 16 -20.905 -21.675 -2.508 1.00 0.00 C ATOM 30 OE1 GLU A 16 -20.509 -22.613 -1.835 1.00 0.00 O ATOM 31 OE2 GLU A 16 -21.435 -21.821 -3.599 1.00 0.00 O ATOM 0 H GLU A 16 -19.574 -19.524 1.632 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.697 -18.527 -0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.384 -20.887 -0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.027 -20.343 -0.081 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -21.170 -19.537 -2.442 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.515 -20.042 -2.723 1.00 0.00 H new ATOM 38 N ARG A 17 -21.610 -17.507 0.223 1.00 0.00 N ATOM 39 CA ARG A 17 -22.645 -16.499 0.036 1.00 0.00 C ATOM 40 C ARG A 17 -22.059 -15.092 -0.028 1.00 0.00 C ATOM 41 O ARG A 17 -22.395 -14.316 -0.912 1.00 0.00 O ATOM 42 CB ARG A 17 -23.621 -16.574 1.212 1.00 0.00 C ATOM 43 CG ARG A 17 -24.769 -15.581 1.008 1.00 0.00 C ATOM 44 CD ARG A 17 -25.727 -15.671 2.197 1.00 0.00 C ATOM 45 NE ARG A 17 -26.910 -14.855 1.950 1.00 0.00 N ATOM 46 CZ ARG A 17 -27.885 -14.745 2.851 1.00 0.00 C ATOM 47 NH1 ARG A 17 -27.785 -15.320 4.017 1.00 0.00 N ATOM 48 NH2 ARG A 17 -28.950 -14.045 2.581 1.00 0.00 N ATOM 0 H ARG A 17 -21.696 -18.046 1.085 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.150 -16.699 -0.909 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -24.017 -17.586 1.302 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -23.099 -16.352 2.143 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.378 -14.568 0.916 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -25.298 -15.803 0.081 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -26.019 -16.708 2.361 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -25.226 -15.334 3.104 1.00 0.00 H new ATOM 0 HE ARG A 17 -26.993 -14.356 1.065 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -26.953 -15.862 4.249 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -28.539 -15.228 4.698 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -29.039 -13.579 1.678 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -29.695 -13.963 3.273 1.00 0.00 H new ATOM 62 N ILE A 18 -21.103 -14.813 0.859 1.00 0.00 N ATOM 63 CA ILE A 18 -20.477 -13.495 0.905 1.00 0.00 C ATOM 64 C ILE A 18 -19.716 -13.232 -0.398 1.00 0.00 C ATOM 65 O ILE A 18 -19.643 -12.086 -0.852 1.00 0.00 O ATOM 66 CB ILE A 18 -19.550 -13.410 2.123 1.00 0.00 C ATOM 67 CG1 ILE A 18 -20.414 -13.422 3.386 1.00 0.00 C ATOM 68 CG2 ILE A 18 -18.736 -12.118 2.076 1.00 0.00 C ATOM 69 CD1 ILE A 18 -19.539 -13.598 4.631 1.00 0.00 C ATOM 0 H ILE A 18 -20.749 -15.476 1.548 1.00 0.00 H new ATOM 0 HA ILE A 18 -21.243 -12.726 1.005 1.00 0.00 H new ATOM 0 HB ILE A 18 -18.862 -14.256 2.123 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -20.977 -12.491 3.458 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -21.142 -14.231 3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -18.081 -12.069 2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -18.134 -12.100 1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -19.411 -11.262 2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -20.169 -13.604 5.521 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -18.996 -14.541 4.564 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -18.828 -12.774 4.696 1.00 0.00 H new ATOM 81 N ASP A 19 -19.003 -14.249 -0.873 1.00 0.00 N ATOM 82 CA ASP A 19 -18.248 -14.147 -2.119 1.00 0.00 C ATOM 83 C ASP A 19 -19.196 -13.953 -3.304 1.00 0.00 C ATOM 84 O ASP A 19 -18.865 -13.227 -4.245 1.00 0.00 O ATOM 85 CB ASP A 19 -17.392 -15.407 -2.321 1.00 0.00 C ATOM 86 CG ASP A 19 -16.049 -15.306 -1.585 1.00 0.00 C ATOM 87 OD1 ASP A 19 -15.647 -14.219 -1.200 1.00 0.00 O ATOM 88 OD2 ASP A 19 -15.394 -16.332 -1.484 1.00 0.00 O ATOM 0 H ASP A 19 -18.932 -15.156 -0.412 1.00 0.00 H new ATOM 0 HA ASP A 19 -17.590 -13.280 -2.059 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -17.939 -16.279 -1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -17.213 -15.558 -3.385 1.00 0.00 H new ATOM 93 N ILE A 20 -20.371 -14.585 -3.255 1.00 0.00 N ATOM 94 CA ILE A 20 -21.458 -14.318 -4.206 1.00 0.00 C ATOM 95 C ILE A 20 -21.926 -12.872 -4.079 1.00 0.00 C ATOM 96 O ILE A 20 -22.034 -12.157 -5.074 1.00 0.00 O ATOM 97 CB ILE A 20 -22.625 -15.284 -3.993 1.00 0.00 C ATOM 98 CG1 ILE A 20 -22.208 -16.720 -4.353 1.00 0.00 C ATOM 99 CG2 ILE A 20 -23.823 -14.849 -4.843 1.00 0.00 C ATOM 100 CD1 ILE A 20 -21.832 -16.838 -5.834 1.00 0.00 C ATOM 0 H ILE A 20 -20.598 -15.294 -2.558 1.00 0.00 H new ATOM 0 HA ILE A 20 -21.076 -14.474 -5.215 1.00 0.00 H new ATOM 0 HB ILE A 20 -22.911 -15.263 -2.941 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -21.361 -17.020 -3.736 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -23.025 -17.405 -4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -24.650 -15.541 -4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -24.130 -13.845 -4.552 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -23.542 -14.852 -5.896 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -21.542 -17.865 -6.055 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -22.688 -16.562 -6.450 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -20.998 -16.171 -6.052 1.00 0.00 H new ATOM 112 N LEU A 21 -22.088 -12.413 -2.840 1.00 0.00 N ATOM 113 CA LEU A 21 -22.517 -11.041 -2.563 1.00 0.00 C ATOM 114 C LEU A 21 -21.500 -10.042 -3.110 1.00 0.00 C ATOM 115 O LEU A 21 -21.870 -8.937 -3.494 1.00 0.00 O ATOM 116 CB LEU A 21 -22.726 -10.823 -1.062 1.00 0.00 C ATOM 117 CG LEU A 21 -23.957 -11.599 -0.582 1.00 0.00 C ATOM 118 CD1 LEU A 21 -23.995 -11.619 0.951 1.00 0.00 C ATOM 119 CD2 LEU A 21 -25.227 -10.917 -1.104 1.00 0.00 C ATOM 0 H LEU A 21 -21.927 -12.975 -2.004 1.00 0.00 H new ATOM 0 HA LEU A 21 -23.471 -10.878 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -21.843 -11.151 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -22.853 -9.760 -0.856 1.00 0.00 H new ATOM 0 HG LEU A 21 -23.903 -12.620 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -24.872 -12.172 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -23.095 -12.102 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -24.045 -10.597 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -26.103 -11.469 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -25.272 -9.895 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -25.210 -10.901 -2.194 1.00 0.00 H new ATOM 131 N PHE A 22 -20.215 -10.364 -2.974 1.00 0.00 N ATOM 132 CA PHE A 22 -19.150 -9.486 -3.440 1.00 0.00 C ATOM 133 C PHE A 22 -19.320 -9.214 -4.935 1.00 0.00 C ATOM 134 O PHE A 22 -19.087 -8.097 -5.391 1.00 0.00 O ATOM 135 CB PHE A 22 -17.810 -10.201 -3.227 1.00 0.00 C ATOM 136 CG PHE A 22 -16.652 -9.319 -3.639 1.00 0.00 C ATOM 137 CD1 PHE A 22 -16.200 -9.391 -4.966 1.00 0.00 C ATOM 138 CD2 PHE A 22 -15.720 -8.954 -2.646 1.00 0.00 C ATOM 139 CE1 PHE A 22 -15.035 -8.712 -5.335 1.00 0.00 C ATOM 140 CE2 PHE A 22 -14.403 -8.646 -3.020 1.00 0.00 C ATOM 141 CZ PHE A 22 -14.122 -8.337 -4.348 1.00 0.00 C ATOM 0 H PHE A 22 -19.888 -11.229 -2.544 1.00 0.00 H new ATOM 0 HA PHE A 22 -19.183 -8.545 -2.892 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -17.705 -10.479 -2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -17.791 -11.125 -3.805 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -16.748 -9.967 -5.697 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -16.017 -8.912 -1.608 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -14.844 -8.480 -6.372 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -13.613 -8.649 -2.283 1.00 0.00 H new ATOM 0 HZ PHE A 22 -13.213 -7.816 -4.610 1.00 0.00 H new ATOM 151 N SER A 23 -19.579 -10.275 -5.700 1.00 0.00 N ATOM 152 CA SER A 23 -19.859 -10.140 -7.129 1.00 0.00 C ATOM 153 C SER A 23 -21.103 -9.288 -7.390 1.00 0.00 C ATOM 154 O SER A 23 -21.143 -8.537 -8.361 1.00 0.00 O ATOM 155 CB SER A 23 -20.048 -11.533 -7.743 1.00 0.00 C ATOM 156 OG SER A 23 -20.641 -11.424 -9.029 1.00 0.00 O ATOM 0 H SER A 23 -19.601 -11.235 -5.355 1.00 0.00 H new ATOM 0 HA SER A 23 -19.011 -9.635 -7.592 1.00 0.00 H new ATOM 0 HB2 SER A 23 -19.085 -12.039 -7.820 1.00 0.00 H new ATOM 0 HB3 SER A 23 -20.677 -12.142 -7.094 1.00 0.00 H new ATOM 0 HG SER A 23 -20.756 -12.318 -9.413 1.00 0.00 H new ATOM 162 N LEU A 24 -22.162 -9.534 -6.620 1.00 0.00 N ATOM 163 CA LEU A 24 -23.400 -8.763 -6.748 1.00 0.00 C ATOM 164 C LEU A 24 -23.170 -7.295 -6.415 1.00 0.00 C ATOM 165 O LEU A 24 -23.582 -6.416 -7.170 1.00 0.00 O ATOM 166 CB LEU A 24 -24.491 -9.315 -5.830 1.00 0.00 C ATOM 167 CG LEU A 24 -24.965 -10.682 -6.348 1.00 0.00 C ATOM 168 CD1 LEU A 24 -25.845 -11.351 -5.287 1.00 0.00 C ATOM 169 CD2 LEU A 24 -25.763 -10.506 -7.648 1.00 0.00 C ATOM 0 H LEU A 24 -22.189 -10.259 -5.903 1.00 0.00 H new ATOM 0 HA LEU A 24 -23.724 -8.850 -7.785 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -24.109 -9.414 -4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -25.330 -8.621 -5.789 1.00 0.00 H new ATOM 0 HG LEU A 24 -24.097 -11.309 -6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -26.182 -12.321 -5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -25.270 -11.488 -4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -26.710 -10.720 -5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.094 -11.481 -8.006 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -26.631 -9.875 -7.459 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.131 -10.038 -8.402 1.00 0.00 H new ATOM 181 N ALA A 25 -22.388 -7.057 -5.368 1.00 0.00 N ATOM 182 CA ALA A 25 -22.055 -5.697 -4.967 1.00 0.00 C ATOM 183 C ALA A 25 -21.277 -5.003 -6.076 1.00 0.00 C ATOM 184 O ALA A 25 -21.399 -3.799 -6.258 1.00 0.00 O ATOM 185 CB ALA A 25 -21.213 -5.718 -3.690 1.00 0.00 C ATOM 0 H ALA A 25 -21.975 -7.785 -4.785 1.00 0.00 H new ATOM 0 HA ALA A 25 -22.980 -5.151 -4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -20.969 -4.697 -3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -21.776 -6.199 -2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -20.293 -6.273 -3.870 1.00 0.00 H new ATOM 191 N GLU A 26 -20.406 -5.754 -6.742 1.00 0.00 N ATOM 192 CA GLU A 26 -19.577 -5.181 -7.795 1.00 0.00 C ATOM 193 C GLU A 26 -20.404 -4.734 -9.006 1.00 0.00 C ATOM 194 O GLU A 26 -20.050 -3.739 -9.637 1.00 0.00 O ATOM 195 CB GLU A 26 -18.546 -6.236 -8.210 1.00 0.00 C ATOM 196 CG GLU A 26 -17.587 -5.680 -9.267 1.00 0.00 C ATOM 197 CD GLU A 26 -16.517 -6.706 -9.644 1.00 0.00 C ATOM 198 OE1 GLU A 26 -16.733 -7.891 -9.435 1.00 0.00 O ATOM 199 OE2 GLU A 26 -15.570 -6.312 -10.304 1.00 0.00 O ATOM 0 H GLU A 26 -20.257 -6.749 -6.574 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.084 -4.287 -7.412 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.981 -6.561 -7.336 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.057 -7.114 -8.604 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.149 -5.395 -10.156 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.109 -4.776 -8.888 1.00 0.00 H new ATOM 206 N ARG A 27 -21.354 -5.557 -9.456 1.00 0.00 N ATOM 207 CA ARG A 27 -22.213 -5.169 -10.579 1.00 0.00 C ATOM 208 C ARG A 27 -23.132 -3.991 -10.257 1.00 0.00 C ATOM 209 O ARG A 27 -23.332 -3.106 -11.091 1.00 0.00 O ATOM 210 CB ARG A 27 -23.061 -6.360 -11.034 1.00 0.00 C ATOM 211 CG ARG A 27 -23.900 -5.961 -12.255 1.00 0.00 C ATOM 212 CD ARG A 27 -24.793 -7.129 -12.677 1.00 0.00 C ATOM 213 NE ARG A 27 -23.973 -8.238 -13.151 1.00 0.00 N ATOM 214 CZ ARG A 27 -23.526 -8.293 -14.402 1.00 0.00 C ATOM 215 NH1 ARG A 27 -23.578 -7.242 -15.173 1.00 0.00 N ATOM 216 NH2 ARG A 27 -22.855 -9.340 -14.794 1.00 0.00 N ATOM 0 H ARG A 27 -21.547 -6.481 -9.069 1.00 0.00 H new ATOM 0 HA ARG A 27 -21.544 -4.850 -11.378 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -22.417 -7.203 -11.283 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -23.713 -6.685 -10.223 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -24.512 -5.091 -12.018 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -23.246 -5.676 -13.079 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -25.405 -7.452 -11.835 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -25.477 -6.809 -13.464 1.00 0.00 H new ATOM 0 HE ARG A 27 -23.736 -8.992 -12.506 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -23.964 -6.367 -14.818 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -23.232 -7.295 -16.131 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -22.678 -10.105 -14.143 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -22.507 -9.394 -15.751 1.00 0.00 H new ATOM 230 N VAL A 28 -23.744 -4.030 -9.076 1.00 0.00 N ATOM 231 CA VAL A 28 -24.655 -2.972 -8.651 1.00 0.00 C ATOM 232 C VAL A 28 -23.890 -1.661 -8.485 1.00 0.00 C ATOM 233 O VAL A 28 -24.469 -0.577 -8.589 1.00 0.00 O ATOM 234 CB VAL A 28 -25.397 -3.380 -7.370 1.00 0.00 C ATOM 235 CG1 VAL A 28 -24.402 -3.602 -6.230 1.00 0.00 C ATOM 236 CG2 VAL A 28 -26.394 -2.296 -6.961 1.00 0.00 C ATOM 0 H VAL A 28 -23.625 -4.782 -8.397 1.00 0.00 H new ATOM 0 HA VAL A 28 -25.412 -2.816 -9.420 1.00 0.00 H new ATOM 0 HB VAL A 28 -25.935 -4.307 -7.570 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -24.941 -3.891 -5.328 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -23.704 -4.393 -6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -23.850 -2.680 -6.044 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -26.911 -2.602 -6.051 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -25.862 -1.362 -6.780 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.121 -2.150 -7.760 1.00 0.00 H new ATOM 246 N PHE A 29 -22.639 -1.784 -8.055 1.00 0.00 N ATOM 247 CA PHE A 29 -21.856 -0.626 -7.639 1.00 0.00 C ATOM 248 C PHE A 29 -21.840 0.472 -8.703 1.00 0.00 C ATOM 249 O PHE A 29 -22.314 1.580 -8.440 1.00 0.00 O ATOM 250 CB PHE A 29 -20.418 -1.096 -7.383 1.00 0.00 C ATOM 251 CG PHE A 29 -19.972 -0.715 -5.995 1.00 0.00 C ATOM 252 CD1 PHE A 29 -20.712 -1.107 -4.874 1.00 0.00 C ATOM 253 CD2 PHE A 29 -18.958 0.220 -5.844 1.00 0.00 C ATOM 254 CE1 PHE A 29 -20.767 -0.259 -3.768 1.00 0.00 C ATOM 255 CE2 PHE A 29 -19.004 1.075 -4.752 1.00 0.00 C ATOM 256 CZ PHE A 29 -19.818 0.757 -3.651 1.00 0.00 C ATOM 0 H PHE A 29 -22.145 -2.674 -7.985 1.00 0.00 H new ATOM 0 HA PHE A 29 -22.309 -0.205 -6.741 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -20.356 -2.177 -7.506 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -19.749 -0.652 -8.120 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -21.233 -2.053 -4.865 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -18.152 0.281 -6.560 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -21.531 -0.387 -3.015 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -18.417 1.981 -4.748 1.00 0.00 H new ATOM 0 HZ PHE A 29 -19.710 1.295 -2.721 1.00 0.00 H new ATOM 266 N PRO A 30 -21.319 0.199 -9.916 1.00 0.00 N ATOM 267 CA PRO A 30 -21.348 1.200 -11.021 1.00 0.00 C ATOM 268 C PRO A 30 -22.763 1.569 -11.444 1.00 0.00 C ATOM 269 O PRO A 30 -22.961 2.601 -12.083 1.00 0.00 O ATOM 270 CB PRO A 30 -20.628 0.492 -12.172 1.00 0.00 C ATOM 271 CG PRO A 30 -20.791 -0.968 -11.901 1.00 0.00 C ATOM 272 CD PRO A 30 -20.835 -1.112 -10.381 1.00 0.00 C ATOM 0 HA PRO A 30 -20.885 2.139 -10.717 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -21.062 0.764 -13.134 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -19.575 0.770 -12.207 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -21.705 -1.349 -12.356 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -19.963 -1.538 -12.323 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -21.504 -1.916 -10.075 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -19.851 -1.343 -9.973 1.00 0.00 H new ATOM 280 N TYR A 31 -23.660 0.594 -11.335 1.00 0.00 N ATOM 281 CA TYR A 31 -25.051 0.786 -11.727 1.00 0.00 C ATOM 282 C TYR A 31 -25.714 1.870 -10.890 1.00 0.00 C ATOM 283 O TYR A 31 -26.476 2.687 -11.402 1.00 0.00 O ATOM 284 CB TYR A 31 -25.804 -0.537 -11.586 1.00 0.00 C ATOM 285 CG TYR A 31 -27.265 -0.336 -11.922 1.00 0.00 C ATOM 286 CD1 TYR A 31 -27.671 -0.194 -13.253 1.00 0.00 C ATOM 287 CD2 TYR A 31 -28.214 -0.246 -10.896 1.00 0.00 C ATOM 288 CE1 TYR A 31 -28.962 0.240 -13.549 1.00 0.00 C ATOM 289 CE2 TYR A 31 -29.556 0.003 -11.216 1.00 0.00 C ATOM 290 CZ TYR A 31 -29.918 0.307 -12.533 1.00 0.00 C ATOM 291 OH TYR A 31 -31.247 0.477 -12.855 1.00 0.00 O ATOM 0 H TYR A 31 -23.448 -0.338 -10.978 1.00 0.00 H new ATOM 0 HA TYR A 31 -25.081 1.111 -12.767 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -25.369 -1.285 -12.248 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -25.705 -0.915 -10.569 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -26.982 -0.421 -14.053 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -27.914 -0.368 -9.866 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -29.222 0.523 -14.558 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -30.311 -0.040 -10.445 1.00 0.00 H new ATOM 0 HH TYR A 31 -31.782 0.502 -12.034 1.00 0.00 H new ATOM 301 N SER A 32 -25.520 1.760 -9.575 1.00 0.00 N ATOM 302 CA SER A 32 -26.033 2.733 -8.617 1.00 0.00 C ATOM 303 C SER A 32 -25.329 2.536 -7.281 1.00 0.00 C ATOM 304 O SER A 32 -25.306 1.425 -6.752 1.00 0.00 O ATOM 305 CB SER A 32 -27.539 2.559 -8.421 1.00 0.00 C ATOM 306 OG SER A 32 -28.049 3.679 -7.716 1.00 0.00 O ATOM 0 H SER A 32 -25.002 0.993 -9.147 1.00 0.00 H new ATOM 0 HA SER A 32 -25.844 3.736 -9.001 1.00 0.00 H new ATOM 0 HB2 SER A 32 -28.035 2.465 -9.387 1.00 0.00 H new ATOM 0 HB3 SER A 32 -27.742 1.642 -7.868 1.00 0.00 H new ATOM 0 HG SER A 32 -29.015 3.573 -7.589 1.00 0.00 H new ATOM 312 N PRO A 33 -24.690 3.584 -6.753 1.00 0.00 N ATOM 313 CA PRO A 33 -24.129 3.548 -5.374 1.00 0.00 C ATOM 314 C PRO A 33 -25.179 3.205 -4.320 1.00 0.00 C ATOM 315 O PRO A 33 -24.960 2.309 -3.502 1.00 0.00 O ATOM 316 CB PRO A 33 -23.577 4.964 -5.177 1.00 0.00 C ATOM 317 CG PRO A 33 -23.288 5.475 -6.546 1.00 0.00 C ATOM 318 CD PRO A 33 -24.312 4.818 -7.466 1.00 0.00 C ATOM 0 HA PRO A 33 -23.373 2.771 -5.259 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -24.301 5.599 -4.666 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -22.675 4.952 -4.565 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -23.371 6.561 -6.582 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -22.272 5.223 -6.850 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -25.174 5.464 -7.630 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -23.887 4.599 -8.445 1.00 0.00 H new ATOM 326 N GLU A 34 -26.378 3.760 -4.492 1.00 0.00 N ATOM 327 CA GLU A 34 -27.430 3.628 -3.487 1.00 0.00 C ATOM 328 C GLU A 34 -27.926 2.190 -3.365 1.00 0.00 C ATOM 329 O GLU A 34 -28.194 1.716 -2.265 1.00 0.00 O ATOM 330 CB GLU A 34 -28.610 4.528 -3.857 1.00 0.00 C ATOM 331 CG GLU A 34 -28.203 6.003 -3.729 1.00 0.00 C ATOM 332 CD GLU A 34 -29.327 6.936 -4.180 1.00 0.00 C ATOM 333 OE1 GLU A 34 -30.387 6.448 -4.539 1.00 0.00 O ATOM 334 OE2 GLU A 34 -29.059 8.119 -4.308 1.00 0.00 O ATOM 0 H GLU A 34 -26.644 4.303 -5.314 1.00 0.00 H new ATOM 0 HA GLU A 34 -27.005 3.925 -2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -28.933 4.318 -4.877 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -29.457 4.318 -3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -27.942 6.221 -2.693 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -27.312 6.189 -4.329 1.00 0.00 H new ATOM 341 N LEU A 35 -28.117 1.530 -4.505 1.00 0.00 N ATOM 342 CA LEU A 35 -28.528 0.126 -4.518 1.00 0.00 C ATOM 343 C LEU A 35 -27.460 -0.748 -3.877 1.00 0.00 C ATOM 344 O LEU A 35 -27.736 -1.484 -2.937 1.00 0.00 O ATOM 345 CB LEU A 35 -28.804 -0.348 -5.948 1.00 0.00 C ATOM 346 CG LEU A 35 -30.069 0.322 -6.496 1.00 0.00 C ATOM 347 CD1 LEU A 35 -30.184 0.054 -7.997 1.00 0.00 C ATOM 348 CD2 LEU A 35 -31.303 -0.237 -5.775 1.00 0.00 C ATOM 0 H LEU A 35 -27.994 1.942 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 35 -29.448 0.039 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -27.953 -0.112 -6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -28.923 -1.431 -5.963 1.00 0.00 H new ATOM 0 HG LEU A 35 -30.010 1.397 -6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -31.084 0.531 -8.384 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.310 0.460 -8.507 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -30.240 -1.020 -8.172 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -32.201 0.241 -6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -31.364 -1.313 -5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -31.222 -0.037 -4.707 1.00 0.00 H new ATOM 360 N ALA A 36 -26.210 -0.439 -4.210 1.00 0.00 N ATOM 361 CA ALA A 36 -25.076 -1.215 -3.730 1.00 0.00 C ATOM 362 C ALA A 36 -24.982 -1.133 -2.210 1.00 0.00 C ATOM 363 O ALA A 36 -24.709 -2.131 -1.544 1.00 0.00 O ATOM 364 CB ALA A 36 -23.789 -0.688 -4.364 1.00 0.00 C ATOM 0 H ALA A 36 -25.959 0.345 -4.812 1.00 0.00 H new ATOM 0 HA ALA A 36 -25.216 -2.259 -4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.941 -1.270 -4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.855 -0.776 -5.448 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.652 0.359 -4.093 1.00 0.00 H new ATOM 370 N LYS A 37 -25.310 0.040 -1.680 1.00 0.00 N ATOM 371 CA LYS A 37 -25.215 0.298 -0.249 1.00 0.00 C ATOM 372 C LYS A 37 -26.155 -0.656 0.488 1.00 0.00 C ATOM 373 O LYS A 37 -25.690 -1.442 1.318 1.00 0.00 O ATOM 374 CB LYS A 37 -25.591 1.770 -0.020 1.00 0.00 C ATOM 375 CG LYS A 37 -25.400 2.252 1.427 1.00 0.00 C ATOM 376 CD LYS A 37 -26.462 1.710 2.388 1.00 0.00 C ATOM 377 CE LYS A 37 -26.194 2.275 3.787 1.00 0.00 C ATOM 378 NZ LYS A 37 -27.231 1.791 4.742 1.00 0.00 N ATOM 0 H LYS A 37 -25.647 0.833 -2.226 1.00 0.00 H new ATOM 0 HA LYS A 37 -24.208 0.127 0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -24.990 2.394 -0.681 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -26.633 1.916 -0.305 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -24.413 1.948 1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -25.424 3.342 1.446 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -27.458 1.995 2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -26.432 0.621 2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -25.204 1.970 4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -26.198 3.365 3.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -27.021 2.152 5.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -28.166 2.132 4.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -27.230 0.751 4.758 1.00 0.00 H new ATOM 392 N ARG A 38 -27.370 -0.813 -0.045 1.00 0.00 N ATOM 393 CA ARG A 38 -28.318 -1.780 0.505 1.00 0.00 C ATOM 394 C ARG A 38 -27.817 -3.222 0.370 1.00 0.00 C ATOM 395 O ARG A 38 -27.784 -3.960 1.349 1.00 0.00 O ATOM 396 CB ARG A 38 -29.641 -1.674 -0.269 1.00 0.00 C ATOM 397 CG ARG A 38 -30.370 -0.348 0.005 1.00 0.00 C ATOM 398 CD ARG A 38 -30.860 -0.278 1.455 1.00 0.00 C ATOM 399 NE ARG A 38 -31.614 0.965 1.651 1.00 0.00 N ATOM 400 CZ ARG A 38 -31.061 2.075 2.136 1.00 0.00 C ATOM 401 NH1 ARG A 38 -29.762 2.234 2.104 1.00 0.00 N ATOM 402 NH2 ARG A 38 -31.819 3.116 2.355 1.00 0.00 N ATOM 0 H ARG A 38 -27.716 -0.288 -0.848 1.00 0.00 H new ATOM 0 HA ARG A 38 -28.443 -1.550 1.563 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -29.443 -1.764 -1.337 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -30.289 -2.506 0.006 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -29.700 0.488 -0.196 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -31.217 -0.248 -0.674 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -31.490 -1.139 1.680 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -30.013 -0.315 2.140 1.00 0.00 H new ATOM 0 HE ARG A 38 -32.604 0.980 1.405 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -29.169 1.506 1.706 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -29.343 3.086 2.477 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -32.818 3.071 2.155 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -31.412 3.974 2.726 1.00 0.00 H new ATOM 416 N TYR A 39 -27.264 -3.556 -0.798 1.00 0.00 N ATOM 417 CA TYR A 39 -26.727 -4.896 -1.051 1.00 0.00 C ATOM 418 C TYR A 39 -25.550 -5.277 -0.159 1.00 0.00 C ATOM 419 O TYR A 39 -25.354 -6.455 0.101 1.00 0.00 O ATOM 420 CB TYR A 39 -26.356 -5.053 -2.531 1.00 0.00 C ATOM 421 CG TYR A 39 -27.592 -5.384 -3.344 1.00 0.00 C ATOM 422 CD1 TYR A 39 -28.563 -4.401 -3.608 1.00 0.00 C ATOM 423 CD2 TYR A 39 -27.634 -6.607 -4.033 1.00 0.00 C ATOM 424 CE1 TYR A 39 -29.638 -4.709 -4.453 1.00 0.00 C ATOM 425 CE2 TYR A 39 -28.645 -6.861 -4.961 1.00 0.00 C ATOM 426 CZ TYR A 39 -29.673 -5.931 -5.136 1.00 0.00 C ATOM 427 OH TYR A 39 -30.681 -6.179 -6.045 1.00 0.00 O ATOM 0 H TYR A 39 -27.176 -2.915 -1.586 1.00 0.00 H new ATOM 0 HA TYR A 39 -27.527 -5.591 -0.795 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -25.904 -4.133 -2.900 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -25.613 -5.842 -2.646 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -28.481 -3.420 -3.164 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -26.879 -7.356 -3.844 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -30.443 -4.000 -4.578 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -28.633 -7.772 -5.541 1.00 0.00 H new ATOM 0 HH TYR A 39 -30.560 -7.071 -6.432 1.00 0.00 H new ATOM 437 N VAL A 40 -24.620 -4.349 0.037 1.00 0.00 N ATOM 438 CA VAL A 40 -23.477 -4.598 0.916 1.00 0.00 C ATOM 439 C VAL A 40 -23.967 -4.800 2.345 1.00 0.00 C ATOM 440 O VAL A 40 -23.417 -5.597 3.094 1.00 0.00 O ATOM 441 CB VAL A 40 -22.484 -3.433 0.852 1.00 0.00 C ATOM 442 CG1 VAL A 40 -21.389 -3.649 1.904 1.00 0.00 C ATOM 443 CG2 VAL A 40 -21.855 -3.353 -0.542 1.00 0.00 C ATOM 0 H VAL A 40 -24.631 -3.425 -0.395 1.00 0.00 H new ATOM 0 HA VAL A 40 -22.963 -5.500 0.583 1.00 0.00 H new ATOM 0 HB VAL A 40 -23.008 -2.499 1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.678 -2.823 1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.840 -3.692 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.869 -4.585 1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -21.151 -2.522 -0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.329 -4.283 -0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.637 -3.197 -1.286 1.00 0.00 H new ATOM 453 N GLU A 41 -24.897 -3.942 2.757 1.00 0.00 N ATOM 454 CA GLU A 41 -25.306 -3.837 4.155 1.00 0.00 C ATOM 455 C GLU A 41 -25.887 -5.185 4.573 1.00 0.00 C ATOM 456 O GLU A 41 -25.389 -5.797 5.516 1.00 0.00 O ATOM 457 CB GLU A 41 -26.381 -2.750 4.256 1.00 0.00 C ATOM 458 CG GLU A 41 -26.770 -2.496 5.717 1.00 0.00 C ATOM 459 CD GLU A 41 -27.836 -1.399 5.814 1.00 0.00 C ATOM 460 OE1 GLU A 41 -28.077 -0.717 4.829 1.00 0.00 O ATOM 461 OE2 GLU A 41 -28.189 -1.071 6.933 1.00 0.00 O ATOM 0 H GLU A 41 -25.387 -3.301 2.133 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.467 -3.580 4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -26.013 -1.827 3.808 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -27.262 -3.051 3.688 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -27.147 -3.416 6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -25.888 -2.204 6.287 1.00 0.00 H new ATOM 468 N LEU A 42 -26.510 -5.799 3.573 1.00 0.00 N ATOM 469 CA LEU A 42 -26.911 -7.199 3.627 1.00 0.00 C ATOM 470 C LEU A 42 -25.721 -8.145 3.789 1.00 0.00 C ATOM 471 O LEU A 42 -25.788 -9.056 4.615 1.00 0.00 O ATOM 472 CB LEU A 42 -27.648 -7.480 2.315 1.00 0.00 C ATOM 473 CG LEU A 42 -27.996 -8.966 2.151 1.00 0.00 C ATOM 474 CD1 LEU A 42 -28.907 -9.461 3.277 1.00 0.00 C ATOM 475 CD2 LEU A 42 -28.698 -9.148 0.806 1.00 0.00 C ATOM 0 H LEU A 42 -26.752 -5.336 2.697 1.00 0.00 H new ATOM 0 HA LEU A 42 -27.543 -7.374 4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -28.563 -6.889 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -27.029 -7.159 1.477 1.00 0.00 H new ATOM 0 HG LEU A 42 -27.076 -9.550 2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -29.131 -10.517 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -28.405 -9.330 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -29.835 -8.889 3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -28.955 -10.198 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -29.607 -8.547 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -28.034 -8.829 0.003 1.00 0.00 H new ATOM 487 N ALA A 43 -24.627 -7.915 3.068 1.00 0.00 N ATOM 488 CA ALA A 43 -23.457 -8.779 3.198 1.00 0.00 C ATOM 489 C ALA A 43 -22.863 -8.699 4.604 1.00 0.00 C ATOM 490 O ALA A 43 -22.258 -9.665 5.067 1.00 0.00 O ATOM 491 CB ALA A 43 -22.396 -8.394 2.160 1.00 0.00 C ATOM 0 H ALA A 43 -24.526 -7.152 2.399 1.00 0.00 H new ATOM 0 HA ALA A 43 -23.777 -9.806 3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -21.529 -9.045 2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -22.811 -8.504 1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -22.093 -7.359 2.316 1.00 0.00 H new ATOM 497 N LEU A 44 -22.848 -7.495 5.178 1.00 0.00 N ATOM 498 CA LEU A 44 -22.319 -7.288 6.525 1.00 0.00 C ATOM 499 C LEU A 44 -23.132 -8.046 7.573 1.00 0.00 C ATOM 500 O LEU A 44 -22.559 -8.657 8.472 1.00 0.00 O ATOM 501 CB LEU A 44 -22.290 -5.791 6.859 1.00 0.00 C ATOM 502 CG LEU A 44 -21.037 -5.106 6.285 1.00 0.00 C ATOM 503 CD1 LEU A 44 -19.838 -5.343 7.216 1.00 0.00 C ATOM 504 CD2 LEU A 44 -20.693 -5.620 4.879 1.00 0.00 C ATOM 0 H LEU A 44 -23.197 -6.648 4.730 1.00 0.00 H new ATOM 0 HA LEU A 44 -21.302 -7.681 6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -23.183 -5.311 6.459 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -22.314 -5.659 7.941 1.00 0.00 H new ATOM 0 HG LEU A 44 -21.254 -4.040 6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.955 -4.855 6.803 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -20.054 -4.929 8.201 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -19.653 -6.413 7.305 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.802 -5.109 4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -20.505 -6.693 4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -21.527 -5.423 4.205 1.00 0.00 H new ATOM 516 N LEU A 45 -24.459 -8.032 7.431 1.00 0.00 N ATOM 517 CA LEU A 45 -25.337 -8.840 8.278 1.00 0.00 C ATOM 518 C LEU A 45 -25.061 -10.327 8.076 1.00 0.00 C ATOM 519 O LEU A 45 -25.094 -11.099 9.026 1.00 0.00 O ATOM 520 CB LEU A 45 -26.816 -8.549 7.998 1.00 0.00 C ATOM 521 CG LEU A 45 -27.290 -7.309 8.766 1.00 0.00 C ATOM 522 CD1 LEU A 45 -26.579 -6.039 8.282 1.00 0.00 C ATOM 523 CD2 LEU A 45 -28.801 -7.144 8.564 1.00 0.00 C ATOM 0 H LEU A 45 -24.949 -7.469 6.736 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.124 -8.571 9.313 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -26.964 -8.397 6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -27.420 -9.410 8.284 1.00 0.00 H new ATOM 0 HG LEU A 45 -27.053 -7.450 9.821 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -26.941 -5.181 8.849 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -25.504 -6.145 8.430 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -26.786 -5.887 7.223 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -29.147 -6.264 9.107 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -29.015 -7.022 7.502 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -29.317 -8.028 8.939 1.00 0.00 H new ATOM 535 N VAL A 46 -24.845 -10.727 6.827 1.00 0.00 N ATOM 536 CA VAL A 46 -24.511 -12.115 6.521 1.00 0.00 C ATOM 537 C VAL A 46 -23.197 -12.497 7.201 1.00 0.00 C ATOM 538 O VAL A 46 -23.075 -13.595 7.737 1.00 0.00 O ATOM 539 CB VAL A 46 -24.426 -12.294 5.000 1.00 0.00 C ATOM 540 CG1 VAL A 46 -23.847 -13.667 4.649 1.00 0.00 C ATOM 541 CG2 VAL A 46 -25.833 -12.183 4.402 1.00 0.00 C ATOM 0 H VAL A 46 -24.895 -10.114 6.013 1.00 0.00 H new ATOM 0 HA VAL A 46 -25.289 -12.776 6.903 1.00 0.00 H new ATOM 0 HB VAL A 46 -23.775 -11.520 4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -23.795 -13.774 3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -22.846 -13.758 5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -24.487 -14.448 5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -25.780 -12.309 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -26.471 -12.958 4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -26.250 -11.203 4.633 1.00 0.00 H new ATOM 551 N GLN A 47 -22.197 -11.624 7.116 1.00 0.00 N ATOM 552 CA GLN A 47 -20.872 -11.951 7.626 1.00 0.00 C ATOM 553 C GLN A 47 -20.901 -12.194 9.134 1.00 0.00 C ATOM 554 O GLN A 47 -20.201 -13.080 9.623 1.00 0.00 O ATOM 555 CB GLN A 47 -19.933 -10.778 7.327 1.00 0.00 C ATOM 556 CG GLN A 47 -18.512 -11.085 7.817 1.00 0.00 C ATOM 557 CD GLN A 47 -17.600 -9.890 7.555 1.00 0.00 C ATOM 558 OE1 GLN A 47 -16.496 -10.052 6.881 1.00 0.00 O flip ATOM 559 NE2 GLN A 47 -17.837 -8.809 8.095 1.00 0.00 N flip ATOM 0 H GLN A 47 -22.278 -10.695 6.703 1.00 0.00 H new ATOM 0 HA GLN A 47 -20.526 -12.864 7.141 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -19.919 -10.580 6.255 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -20.304 -9.875 7.813 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.528 -11.314 8.882 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.125 -11.967 7.307 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -18.700 -8.681 8.623 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.170 -8.042 8.015 1.00 0.00 H new ATOM 568 N GLN A 48 -21.578 -11.322 9.883 1.00 0.00 N ATOM 569 CA GLN A 48 -21.672 -11.505 11.331 1.00 0.00 C ATOM 570 C GLN A 48 -22.484 -12.745 11.700 1.00 0.00 C ATOM 571 O GLN A 48 -22.029 -13.562 12.495 1.00 0.00 O ATOM 572 CB GLN A 48 -22.249 -10.251 11.999 1.00 0.00 C ATOM 573 CG GLN A 48 -23.690 -10.001 11.544 1.00 0.00 C ATOM 574 CD GLN A 48 -24.253 -8.741 12.196 1.00 0.00 C ATOM 575 OE1 GLN A 48 -23.508 -7.922 12.732 1.00 0.00 O ATOM 576 NE2 GLN A 48 -25.543 -8.528 12.164 1.00 0.00 N ATOM 0 H GLN A 48 -22.060 -10.499 9.521 1.00 0.00 H new ATOM 0 HA GLN A 48 -20.661 -11.662 11.706 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -22.221 -10.366 13.083 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -21.631 -9.387 11.754 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.721 -9.900 10.459 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.312 -10.858 11.802 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -26.161 -9.207 11.720 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -25.931 -7.683 12.583 1.00 0.00 H new ATOM 585 N LYS A 49 -23.602 -12.960 11.008 1.00 0.00 N ATOM 586 CA LYS A 49 -24.428 -14.138 11.258 1.00 0.00 C ATOM 587 C LYS A 49 -23.676 -15.425 10.926 1.00 0.00 C ATOM 588 O LYS A 49 -23.751 -16.399 11.673 1.00 0.00 O ATOM 589 CB LYS A 49 -25.723 -14.061 10.441 1.00 0.00 C ATOM 590 CG LYS A 49 -26.612 -12.893 10.901 1.00 0.00 C ATOM 591 CD LYS A 49 -27.108 -13.105 12.338 1.00 0.00 C ATOM 592 CE LYS A 49 -27.995 -11.925 12.756 1.00 0.00 C ATOM 593 NZ LYS A 49 -28.493 -12.152 14.143 1.00 0.00 N ATOM 0 H LYS A 49 -23.953 -12.341 10.278 1.00 0.00 H new ATOM 0 HA LYS A 49 -24.674 -14.154 12.320 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -25.481 -13.942 9.385 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -26.272 -14.998 10.538 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -26.051 -11.960 10.841 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -27.465 -12.796 10.230 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -27.669 -14.037 12.406 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -26.260 -13.194 13.017 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -27.429 -10.995 12.708 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -28.834 -11.824 12.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -29.095 -11.354 14.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -29.046 -13.032 14.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -27.685 -12.228 14.794 1.00 0.00 H new ATOM 607 N ALA A 50 -22.954 -15.416 9.807 1.00 0.00 N ATOM 608 CA ALA A 50 -22.129 -16.557 9.427 1.00 0.00 C ATOM 609 C ALA A 50 -20.841 -16.615 10.243 1.00 0.00 C ATOM 610 O ALA A 50 -20.153 -17.634 10.242 1.00 0.00 O ATOM 611 CB ALA A 50 -21.788 -16.460 7.939 1.00 0.00 C ATOM 0 H ALA A 50 -22.924 -14.635 9.152 1.00 0.00 H new ATOM 0 HA ALA A 50 -22.694 -17.467 9.627 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -21.171 -17.311 7.651 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -22.708 -16.464 7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -21.242 -15.536 7.750 1.00 0.00 H new ATOM 617 N LYS A 51 -20.530 -15.517 10.932 1.00 0.00 N ATOM 618 CA LYS A 51 -19.339 -15.445 11.771 1.00 0.00 C ATOM 619 C LYS A 51 -18.086 -15.881 11.014 1.00 0.00 C ATOM 620 O LYS A 51 -17.243 -16.591 11.561 1.00 0.00 O ATOM 621 CB LYS A 51 -19.526 -16.287 13.039 1.00 0.00 C ATOM 622 CG LYS A 51 -18.639 -15.718 14.154 1.00 0.00 C ATOM 623 CD LYS A 51 -18.927 -16.435 15.477 1.00 0.00 C ATOM 624 CE LYS A 51 -18.089 -15.812 16.599 1.00 0.00 C ATOM 625 NZ LYS A 51 -16.649 -16.096 16.361 1.00 0.00 N ATOM 0 H LYS A 51 -21.090 -14.664 10.924 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.200 -14.403 12.059 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.571 -16.276 13.347 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.263 -17.326 12.843 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -17.588 -15.836 13.889 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.821 -14.649 14.264 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -19.987 -16.360 15.718 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -18.695 -17.496 15.384 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -18.256 -14.736 16.637 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.396 -16.217 17.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.109 -15.904 17.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.532 -17.094 16.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.298 -15.489 15.593 1.00 0.00 H new ATOM 639 N VAL A 52 -17.862 -15.278 9.849 1.00 0.00 N ATOM 640 CA VAL A 52 -16.690 -15.617 9.044 1.00 0.00 C ATOM 641 C VAL A 52 -15.799 -14.392 8.872 1.00 0.00 C ATOM 642 O VAL A 52 -16.295 -13.275 8.719 1.00 0.00 O ATOM 643 CB VAL A 52 -17.091 -16.152 7.662 1.00 0.00 C ATOM 644 CG1 VAL A 52 -17.775 -17.518 7.795 1.00 0.00 C ATOM 645 CG2 VAL A 52 -18.041 -15.170 6.967 1.00 0.00 C ATOM 0 H VAL A 52 -18.466 -14.562 9.445 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.145 -16.400 9.571 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.187 -16.262 7.063 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -18.053 -17.883 6.806 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.089 -18.224 8.263 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -18.669 -17.419 8.410 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -18.317 -15.562 5.988 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -18.938 -15.041 7.573 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.544 -14.207 6.845 1.00 0.00 H new ATOM 655 N LYS A 53 -14.507 -14.582 9.117 1.00 0.00 N ATOM 656 CA LYS A 53 -13.569 -13.470 9.102 1.00 0.00 C ATOM 657 C LYS A 53 -12.836 -13.414 7.768 1.00 0.00 C ATOM 658 O LYS A 53 -12.219 -14.399 7.364 1.00 0.00 O ATOM 659 CB LYS A 53 -12.549 -13.638 10.232 1.00 0.00 C ATOM 660 CG LYS A 53 -13.243 -13.493 11.592 1.00 0.00 C ATOM 661 CD LYS A 53 -12.221 -13.683 12.715 1.00 0.00 C ATOM 662 CE LYS A 53 -12.904 -13.532 14.079 1.00 0.00 C ATOM 663 NZ LYS A 53 -11.900 -13.734 15.158 1.00 0.00 N ATOM 0 H LYS A 53 -14.090 -15.489 9.327 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.125 -12.543 9.243 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.072 -14.616 10.160 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.761 -12.891 10.135 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.707 -12.510 11.672 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.041 -14.230 11.685 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.762 -14.668 12.637 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.421 -12.950 12.617 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.354 -12.543 14.166 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.711 -14.258 14.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.361 -13.632 16.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.491 -14.687 15.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.145 -13.024 15.067 1.00 0.00 H new ATOM 677 N ILE A 54 -12.638 -12.186 7.298 1.00 0.00 N ATOM 678 CA ILE A 54 -11.937 -11.931 6.044 1.00 0.00 C ATOM 679 C ILE A 54 -11.135 -10.641 6.182 1.00 0.00 C ATOM 680 O ILE A 54 -11.725 -9.566 6.329 1.00 0.00 O ATOM 681 CB ILE A 54 -12.932 -11.784 4.881 1.00 0.00 C ATOM 682 CG1 ILE A 54 -14.334 -11.455 5.417 1.00 0.00 C ATOM 683 CG2 ILE A 54 -12.976 -13.086 4.073 1.00 0.00 C ATOM 684 CD1 ILE A 54 -15.329 -11.280 4.262 1.00 0.00 C ATOM 0 H ILE A 54 -12.958 -11.342 7.774 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.277 -12.772 5.832 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.604 -10.969 4.236 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.673 -12.253 6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.296 -10.543 6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.682 -12.979 3.249 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -11.984 -13.301 3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.293 -13.905 4.719 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.315 -11.048 4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -14.999 -10.466 3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -15.381 -12.202 3.684 1.00 0.00 H new ATOM 696 N PRO A 55 -9.801 -10.737 6.311 1.00 0.00 N ATOM 697 CA PRO A 55 -8.959 -9.559 6.665 1.00 0.00 C ATOM 698 C PRO A 55 -9.146 -8.407 5.685 1.00 0.00 C ATOM 699 O PRO A 55 -8.952 -7.254 6.058 1.00 0.00 O ATOM 700 CB PRO A 55 -7.527 -10.097 6.621 1.00 0.00 C ATOM 701 CG PRO A 55 -7.654 -11.558 6.891 1.00 0.00 C ATOM 702 CD PRO A 55 -9.017 -11.987 6.342 1.00 0.00 C ATOM 0 HA PRO A 55 -9.225 -9.146 7.638 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.066 -9.914 5.650 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.900 -9.611 7.368 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.850 -12.113 6.408 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.585 -11.762 7.959 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.927 -12.426 5.348 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.486 -12.736 6.980 1.00 0.00 H new ATOM 710 N ARG A 56 -9.302 -8.742 4.403 1.00 0.00 N ATOM 711 CA ARG A 56 -9.334 -7.713 3.369 1.00 0.00 C ATOM 712 C ARG A 56 -10.657 -7.707 2.593 1.00 0.00 C ATOM 713 O ARG A 56 -11.066 -6.634 2.149 1.00 0.00 O ATOM 714 CB ARG A 56 -8.122 -7.865 2.439 1.00 0.00 C ATOM 715 CG ARG A 56 -6.864 -7.502 3.239 1.00 0.00 C ATOM 716 CD ARG A 56 -5.602 -7.648 2.389 1.00 0.00 C ATOM 717 NE ARG A 56 -4.424 -7.314 3.190 1.00 0.00 N ATOM 718 CZ ARG A 56 -3.924 -6.077 3.257 1.00 0.00 C ATOM 719 NH1 ARG A 56 -4.593 -5.065 2.769 1.00 0.00 N ATOM 720 NH2 ARG A 56 -2.906 -5.839 4.048 1.00 0.00 N ATOM 0 H ARG A 56 -9.406 -9.698 4.063 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.272 -6.741 3.858 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.054 -8.886 2.065 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.223 -7.213 1.571 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.944 -6.477 3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.790 -8.145 4.116 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.521 -8.668 2.014 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.660 -6.993 1.520 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.966 -8.056 3.719 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.503 -5.217 2.334 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.205 -4.123 2.824 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.504 -6.594 4.604 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.515 -4.899 4.108 1.00 0.00 H new ATOM 734 N LYS A 57 -11.322 -8.852 2.389 1.00 0.00 N ATOM 735 CA LYS A 57 -12.333 -8.891 1.329 1.00 0.00 C ATOM 736 C LYS A 57 -13.503 -7.937 1.558 1.00 0.00 C ATOM 737 O LYS A 57 -14.085 -7.508 0.571 1.00 0.00 O ATOM 738 CB LYS A 57 -12.972 -10.268 1.102 1.00 0.00 C ATOM 739 CG LYS A 57 -12.023 -11.293 0.475 1.00 0.00 C ATOM 740 CD LYS A 57 -12.830 -12.582 0.292 1.00 0.00 C ATOM 741 CE LYS A 57 -12.001 -13.689 -0.365 1.00 0.00 C ATOM 742 NZ LYS A 57 -12.855 -14.900 -0.519 1.00 0.00 N ATOM 0 H LYS A 57 -11.189 -9.718 2.912 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.743 -8.597 0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.330 -10.654 2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.844 -10.152 0.458 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.643 -10.935 -0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.159 -11.465 1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.190 -12.925 1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.709 -12.376 -0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.634 -13.360 -1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.127 -13.918 0.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.464 -15.508 -1.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.878 -15.425 0.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.821 -14.613 -0.777 1.00 0.00 H new ATOM 756 N TRP A 58 -14.049 -7.862 2.773 1.00 0.00 N ATOM 757 CA TRP A 58 -15.097 -6.875 3.033 1.00 0.00 C ATOM 758 C TRP A 58 -14.652 -5.760 3.973 1.00 0.00 C ATOM 759 O TRP A 58 -15.150 -4.639 3.895 1.00 0.00 O ATOM 760 CB TRP A 58 -16.350 -7.564 3.596 1.00 0.00 C ATOM 761 CG TRP A 58 -17.366 -7.725 2.509 1.00 0.00 C ATOM 762 CD1 TRP A 58 -17.675 -8.887 1.890 1.00 0.00 C ATOM 763 CD2 TRP A 58 -17.971 -6.679 1.694 1.00 0.00 C ATOM 764 NE1 TRP A 58 -18.648 -8.638 0.939 1.00 0.00 N ATOM 765 CE2 TRP A 58 -18.860 -7.285 0.774 1.00 0.00 C ATOM 766 CE3 TRP A 58 -17.695 -5.311 1.538 1.00 0.00 C ATOM 767 CZ2 TRP A 58 -19.612 -6.515 -0.116 1.00 0.00 C ATOM 768 CZ3 TRP A 58 -18.292 -4.586 0.495 1.00 0.00 C ATOM 769 CH2 TRP A 58 -19.293 -5.167 -0.292 1.00 0.00 C ATOM 0 H TRP A 58 -13.795 -8.450 3.567 1.00 0.00 H new ATOM 0 HA TRP A 58 -15.327 -6.409 2.075 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -16.087 -8.538 4.009 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -16.766 -6.973 4.412 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -17.235 -9.850 2.103 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -19.146 -9.364 0.424 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -17.022 -4.816 2.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -20.432 -6.958 -0.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -17.977 -3.572 0.298 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -19.815 -4.577 -1.030 1.00 0.00 H new ATOM 780 N LYS A 59 -13.756 -6.091 4.896 1.00 0.00 N ATOM 781 CA LYS A 59 -13.319 -5.139 5.916 1.00 0.00 C ATOM 782 C LYS A 59 -12.579 -3.943 5.324 1.00 0.00 C ATOM 783 O LYS A 59 -12.490 -2.919 5.984 1.00 0.00 O ATOM 784 CB LYS A 59 -12.455 -5.860 6.950 1.00 0.00 C ATOM 785 CG LYS A 59 -13.335 -6.825 7.748 1.00 0.00 C ATOM 786 CD LYS A 59 -12.479 -7.574 8.772 1.00 0.00 C ATOM 787 CE LYS A 59 -13.362 -8.529 9.576 1.00 0.00 C ATOM 788 NZ LYS A 59 -12.516 -9.263 10.553 1.00 0.00 N ATOM 0 H LYS A 59 -13.317 -7.010 4.961 1.00 0.00 H new ATOM 0 HA LYS A 59 -14.209 -4.737 6.400 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.651 -6.405 6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.986 -5.138 7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -14.128 -6.275 8.255 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.818 -7.534 7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.691 -8.131 8.265 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.989 -6.865 9.440 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.142 -7.973 10.096 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.862 -9.231 8.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.109 -9.915 11.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.788 -9.803 10.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.059 -8.584 11.195 1.00 0.00 H new ATOM 802 N ARG A 60 -11.720 -4.222 4.347 1.00 0.00 N ATOM 803 CA ARG A 60 -10.925 -3.169 3.717 1.00 0.00 C ATOM 804 C ARG A 60 -11.653 -2.633 2.489 1.00 0.00 C ATOM 805 O ARG A 60 -11.119 -1.822 1.736 1.00 0.00 O ATOM 806 CB ARG A 60 -9.552 -3.738 3.338 1.00 0.00 C ATOM 807 CG ARG A 60 -8.834 -4.182 4.616 1.00 0.00 C ATOM 808 CD ARG A 60 -8.488 -2.960 5.475 1.00 0.00 C ATOM 809 NE ARG A 60 -7.790 -3.378 6.689 1.00 0.00 N ATOM 810 CZ ARG A 60 -8.446 -3.562 7.837 1.00 0.00 C ATOM 811 NH1 ARG A 60 -9.741 -3.371 7.891 1.00 0.00 N ATOM 812 NH2 ARG A 60 -7.843 -4.139 8.842 1.00 0.00 N ATOM 0 H ARG A 60 -11.557 -5.158 3.977 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.784 -2.341 4.412 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.667 -4.581 2.657 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.962 -2.985 2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.468 -4.866 5.180 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.925 -4.727 4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.863 -2.272 4.906 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.398 -2.421 5.737 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.782 -3.532 6.659 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.249 -3.081 7.055 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.241 -3.512 8.769 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.875 -4.447 8.748 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.340 -4.282 9.721 1.00 0.00 H new ATOM 826 N ARG A 61 -12.750 -3.312 2.173 1.00 0.00 N ATOM 827 CA ARG A 61 -13.473 -3.111 0.923 1.00 0.00 C ATOM 828 C ARG A 61 -14.687 -2.192 1.108 1.00 0.00 C ATOM 829 O ARG A 61 -15.466 -2.038 0.178 1.00 0.00 O ATOM 830 CB ARG A 61 -13.789 -4.495 0.337 1.00 0.00 C ATOM 831 CG ARG A 61 -14.456 -4.405 -1.038 1.00 0.00 C ATOM 832 CD ARG A 61 -14.623 -5.814 -1.615 1.00 0.00 C ATOM 833 NE ARG A 61 -15.262 -5.805 -2.928 1.00 0.00 N ATOM 834 CZ ARG A 61 -16.579 -5.940 -3.071 1.00 0.00 C ATOM 835 NH1 ARG A 61 -17.333 -6.042 -2.012 1.00 0.00 N ATOM 836 NH2 ARG A 61 -17.042 -6.391 -4.207 1.00 0.00 N ATOM 0 H ARG A 61 -13.164 -4.020 2.779 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.862 -2.575 0.196 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.867 -5.071 0.254 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.443 -5.036 1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.427 -3.918 -0.952 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.851 -3.795 -1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.646 -6.290 -1.693 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.218 -6.417 -0.929 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.683 -5.692 -3.760 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.913 -6.018 -1.083 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.343 -6.146 -2.113 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.398 -6.631 -4.961 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.047 -6.503 -4.340 1.00 0.00 H new ATOM 850 N TYR A 62 -14.830 -1.518 2.252 1.00 0.00 N ATOM 851 CA TYR A 62 -16.133 -0.953 2.608 1.00 0.00 C ATOM 852 C TYR A 62 -15.994 0.412 3.288 1.00 0.00 C ATOM 853 O TYR A 62 -14.882 0.870 3.560 1.00 0.00 O ATOM 854 CB TYR A 62 -16.897 -1.915 3.529 1.00 0.00 C ATOM 855 CG TYR A 62 -16.544 -1.708 4.988 1.00 0.00 C ATOM 856 CD1 TYR A 62 -15.241 -1.947 5.439 1.00 0.00 C ATOM 857 CD2 TYR A 62 -17.587 -1.730 5.932 1.00 0.00 C ATOM 858 CE1 TYR A 62 -14.932 -1.697 6.782 1.00 0.00 C ATOM 859 CE2 TYR A 62 -17.290 -1.673 7.301 1.00 0.00 C ATOM 860 CZ TYR A 62 -15.959 -1.585 7.724 1.00 0.00 C ATOM 861 OH TYR A 62 -15.660 -1.600 9.072 1.00 0.00 O ATOM 0 H TYR A 62 -14.085 -1.353 2.929 1.00 0.00 H new ATOM 0 HA TYR A 62 -16.691 -0.813 1.682 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -17.969 -1.773 3.392 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -16.673 -2.943 3.245 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.486 -2.318 4.762 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -18.614 -1.791 5.603 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -13.902 -1.591 7.089 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -18.088 -1.697 8.029 1.00 0.00 H new ATOM 0 HH TYR A 62 -16.486 -1.512 9.591 1.00 0.00 H new ATOM 871 N CYS A 63 -17.098 1.163 3.283 1.00 0.00 N ATOM 872 CA CYS A 63 -17.190 2.430 4.015 1.00 0.00 C ATOM 873 C CYS A 63 -17.571 2.192 5.473 1.00 0.00 C ATOM 874 O CYS A 63 -18.480 1.414 5.760 1.00 0.00 O ATOM 875 CB CYS A 63 -18.252 3.340 3.388 1.00 0.00 C ATOM 876 SG CYS A 63 -17.778 5.071 3.636 1.00 0.00 S ATOM 0 H CYS A 63 -17.947 0.913 2.776 1.00 0.00 H new ATOM 0 HA CYS A 63 -16.210 2.905 3.962 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -18.348 3.126 2.324 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -19.225 3.149 3.841 1.00 0.00 H new ATOM 881 N LYS A 64 -16.982 2.982 6.370 1.00 0.00 N ATOM 882 CA LYS A 64 -17.224 2.801 7.795 1.00 0.00 C ATOM 883 C LYS A 64 -18.686 3.034 8.171 1.00 0.00 C ATOM 884 O LYS A 64 -19.234 2.273 8.968 1.00 0.00 O ATOM 885 CB LYS A 64 -16.371 3.828 8.551 1.00 0.00 C ATOM 886 CG LYS A 64 -16.467 3.609 10.065 1.00 0.00 C ATOM 887 CD LYS A 64 -15.554 4.598 10.796 1.00 0.00 C ATOM 888 CE LYS A 64 -15.636 4.371 12.307 1.00 0.00 C ATOM 889 NZ LYS A 64 -17.030 4.598 12.777 1.00 0.00 N ATOM 0 H LYS A 64 -16.343 3.742 6.137 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.969 1.774 8.055 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.331 3.748 8.233 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.704 4.836 8.303 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.497 3.740 10.395 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -16.181 2.587 10.312 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.525 4.474 10.457 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.847 5.620 10.558 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.322 3.356 12.549 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.954 5.047 12.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.028 4.762 13.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.428 5.429 12.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.610 3.762 12.561 1.00 0.00 H new ATOM 903 N LYS A 65 -19.315 4.075 7.625 1.00 0.00 N ATOM 904 CA LYS A 65 -20.752 4.250 7.803 1.00 0.00 C ATOM 905 C LYS A 65 -21.570 3.441 6.800 1.00 0.00 C ATOM 906 O LYS A 65 -22.632 2.926 7.144 1.00 0.00 O ATOM 907 CB LYS A 65 -21.105 5.736 7.745 1.00 0.00 C ATOM 908 CG LYS A 65 -22.590 5.913 8.079 1.00 0.00 C ATOM 909 CD LYS A 65 -22.945 7.402 8.098 1.00 0.00 C ATOM 910 CE LYS A 65 -24.428 7.567 8.435 1.00 0.00 C ATOM 911 NZ LYS A 65 -24.694 7.038 9.804 1.00 0.00 N ATOM 0 H LYS A 65 -18.860 4.797 7.066 1.00 0.00 H new ATOM 0 HA LYS A 65 -21.015 3.862 8.787 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -20.492 6.296 8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -20.893 6.134 6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -23.202 5.394 7.342 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -22.810 5.465 9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -22.333 7.924 8.834 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -22.729 7.851 7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -24.708 8.619 8.380 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -25.038 7.036 7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -25.574 7.453 10.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -24.790 6.003 9.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -23.904 7.288 10.432 1.00 0.00 H new ATOM 925 N CYS A 66 -21.193 3.550 5.523 1.00 0.00 N ATOM 926 CA CYS A 66 -22.094 3.155 4.440 1.00 0.00 C ATOM 927 C CYS A 66 -22.159 1.650 4.273 1.00 0.00 C ATOM 928 O CYS A 66 -23.092 1.146 3.657 1.00 0.00 O ATOM 929 CB CYS A 66 -21.688 3.805 3.116 1.00 0.00 C ATOM 930 SG CYS A 66 -21.573 5.589 3.383 1.00 0.00 S ATOM 0 H CYS A 66 -20.286 3.902 5.218 1.00 0.00 H new ATOM 0 HA CYS A 66 -23.087 3.508 4.719 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -20.732 3.408 2.774 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -22.421 3.582 2.341 1.00 0.00 H new ATOM 935 N HIS A 67 -21.015 1.017 4.499 1.00 0.00 N ATOM 936 CA HIS A 67 -20.891 -0.415 4.273 1.00 0.00 C ATOM 937 C HIS A 67 -21.031 -0.690 2.775 1.00 0.00 C ATOM 938 O HIS A 67 -22.141 -1.014 2.351 1.00 0.00 O ATOM 939 CB HIS A 67 -21.967 -1.178 5.057 1.00 0.00 C ATOM 940 CG HIS A 67 -21.833 -0.879 6.526 1.00 0.00 C ATOM 941 ND1 HIS A 67 -22.476 0.202 7.109 1.00 0.00 N ATOM 942 CD2 HIS A 67 -21.186 -1.524 7.555 1.00 0.00 C ATOM 943 CE1 HIS A 67 -22.110 0.242 8.401 1.00 0.00 C ATOM 944 NE2 HIS A 67 -21.342 -0.795 8.735 1.00 0.00 N ATOM 0 H HIS A 67 -20.166 1.470 4.836 1.00 0.00 H new ATOM 0 HA HIS A 67 -19.916 -0.756 4.621 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -22.958 -0.891 4.707 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -21.866 -2.249 4.884 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -23.111 0.849 6.642 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -20.641 -2.452 7.464 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -22.403 1.022 9.088 1.00 0.00 H new ATOM 953 N ALA A 68 -20.195 0.007 2.009 1.00 0.00 N ATOM 954 CA ALA A 68 -20.267 -0.032 0.549 1.00 0.00 C ATOM 955 C ALA A 68 -18.892 -0.298 -0.057 1.00 0.00 C ATOM 956 O ALA A 68 -17.933 0.374 0.326 1.00 0.00 O ATOM 957 CB ALA A 68 -20.804 1.299 0.019 1.00 0.00 C ATOM 0 H ALA A 68 -19.457 0.608 2.376 1.00 0.00 H new ATOM 0 HA ALA A 68 -20.939 -0.842 0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.855 1.263 -1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -21.801 1.476 0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -20.139 2.107 0.325 1.00 0.00 H new ATOM 963 N PHE A 69 -18.887 -0.925 -1.234 1.00 0.00 N ATOM 964 CA PHE A 69 -17.643 -1.435 -1.812 1.00 0.00 C ATOM 965 C PHE A 69 -16.749 -0.257 -2.180 1.00 0.00 C ATOM 966 O PHE A 69 -17.138 0.581 -2.973 1.00 0.00 O ATOM 967 CB PHE A 69 -17.991 -2.264 -3.061 1.00 0.00 C ATOM 968 CG PHE A 69 -16.791 -2.625 -3.920 1.00 0.00 C ATOM 969 CD1 PHE A 69 -15.520 -2.817 -3.355 1.00 0.00 C ATOM 970 CD2 PHE A 69 -17.037 -3.173 -5.192 1.00 0.00 C ATOM 971 CE1 PHE A 69 -14.467 -3.257 -4.171 1.00 0.00 C ATOM 972 CE2 PHE A 69 -16.085 -4.026 -5.774 1.00 0.00 C ATOM 973 CZ PHE A 69 -14.755 -3.938 -5.354 1.00 0.00 C ATOM 0 H PHE A 69 -19.719 -1.091 -1.800 1.00 0.00 H new ATOM 0 HA PHE A 69 -17.113 -2.066 -1.099 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -18.489 -3.181 -2.748 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -18.704 -1.705 -3.668 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -15.355 -2.628 -2.305 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -17.951 -2.939 -5.717 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.442 -3.070 -3.886 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -16.376 -4.737 -6.533 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.964 -4.389 -5.935 1.00 0.00 H new ATOM 983 N LEU A 70 -15.525 -0.228 -1.662 1.00 0.00 N ATOM 984 CA LEU A 70 -14.845 1.055 -1.575 1.00 0.00 C ATOM 985 C LEU A 70 -13.940 1.154 -2.794 1.00 0.00 C ATOM 986 O LEU A 70 -12.900 0.503 -2.861 1.00 0.00 O ATOM 987 CB LEU A 70 -14.026 1.161 -0.281 1.00 0.00 C ATOM 988 CG LEU A 70 -13.900 2.624 0.181 1.00 0.00 C ATOM 989 CD1 LEU A 70 -13.484 3.551 -0.969 1.00 0.00 C ATOM 990 CD2 LEU A 70 -15.238 3.098 0.763 1.00 0.00 C ATOM 0 H LEU A 70 -15.007 -1.034 -1.313 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.567 1.872 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.500 0.569 0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.033 0.741 -0.441 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.123 2.667 0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.406 4.574 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.519 3.232 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.231 3.506 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -15.146 4.134 1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.013 3.025 -0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.507 2.472 1.614 1.00 0.00 H new ATOM 1002 N VAL A 71 -14.510 1.741 -3.841 1.00 0.00 N ATOM 1003 CA VAL A 71 -13.853 1.838 -5.143 1.00 0.00 C ATOM 1004 C VAL A 71 -14.033 3.261 -5.651 1.00 0.00 C ATOM 1005 O VAL A 71 -15.158 3.757 -5.663 1.00 0.00 O ATOM 1006 CB VAL A 71 -14.468 0.865 -6.159 1.00 0.00 C ATOM 1007 CG1 VAL A 71 -13.460 0.578 -7.274 1.00 0.00 C ATOM 1008 CG2 VAL A 71 -14.859 -0.448 -5.473 1.00 0.00 C ATOM 0 H VAL A 71 -15.438 2.163 -3.813 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.800 1.582 -5.029 1.00 0.00 H new ATOM 0 HB VAL A 71 -15.362 1.322 -6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.900 -0.113 -7.993 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.200 1.509 -7.778 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.561 0.133 -6.846 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -15.293 -1.127 -6.207 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.973 -0.907 -5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -15.589 -0.246 -4.689 1.00 0.00 H new ATOM 1018 N PRO A 72 -12.943 3.991 -5.902 1.00 0.00 N ATOM 1019 CA PRO A 72 -13.053 5.355 -6.481 1.00 0.00 C ATOM 1020 C PRO A 72 -13.693 5.320 -7.863 1.00 0.00 C ATOM 1021 O PRO A 72 -13.283 4.544 -8.722 1.00 0.00 O ATOM 1022 CB PRO A 72 -11.612 5.866 -6.540 1.00 0.00 C ATOM 1023 CG PRO A 72 -10.824 4.988 -5.624 1.00 0.00 C ATOM 1024 CD PRO A 72 -11.549 3.644 -5.571 1.00 0.00 C ATOM 0 HA PRO A 72 -13.692 6.006 -5.884 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -11.223 5.818 -7.557 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.555 6.908 -6.226 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.805 4.863 -5.989 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.754 5.430 -4.630 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -11.132 2.934 -6.285 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.473 3.186 -4.585 1.00 0.00 H new ATOM 1032 N GLY A 73 -14.484 6.350 -8.130 1.00 0.00 N ATOM 1033 CA GLY A 73 -15.120 6.540 -9.428 1.00 0.00 C ATOM 1034 C GLY A 73 -16.565 6.041 -9.438 1.00 0.00 C ATOM 1035 O GLY A 73 -17.299 6.344 -10.382 1.00 0.00 O ATOM 0 H GLY A 73 -14.704 7.079 -7.452 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.100 7.598 -9.690 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.549 6.012 -10.192 1.00 0.00 H new ATOM 1039 N ILE A 74 -16.942 5.204 -8.465 1.00 0.00 N ATOM 1040 CA ILE A 74 -18.230 4.515 -8.552 1.00 0.00 C ATOM 1041 C ILE A 74 -19.226 4.974 -7.488 1.00 0.00 C ATOM 1042 O ILE A 74 -20.015 5.873 -7.759 1.00 0.00 O ATOM 1043 CB ILE A 74 -18.012 3.003 -8.436 1.00 0.00 C ATOM 1044 CG1 ILE A 74 -17.181 2.505 -9.627 1.00 0.00 C ATOM 1045 CG2 ILE A 74 -19.373 2.302 -8.436 1.00 0.00 C ATOM 1046 CD1 ILE A 74 -16.735 1.060 -9.394 1.00 0.00 C ATOM 0 H ILE A 74 -16.391 4.993 -7.633 1.00 0.00 H new ATOM 0 HA ILE A 74 -18.662 4.766 -9.521 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.480 2.781 -7.511 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -17.770 2.568 -10.542 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.309 3.145 -9.764 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -19.227 1.225 -8.354 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -19.964 2.654 -7.590 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -19.898 2.527 -9.364 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -16.147 0.719 -10.246 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.128 1.008 -8.490 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -17.612 0.422 -9.280 1.00 0.00 H new ATOM 1058 N ASN A 75 -19.039 4.552 -6.236 1.00 0.00 N ATOM 1059 CA ASN A 75 -19.851 5.076 -5.142 1.00 0.00 C ATOM 1060 C ASN A 75 -19.046 6.089 -4.347 1.00 0.00 C ATOM 1061 O ASN A 75 -19.526 6.651 -3.367 1.00 0.00 O ATOM 1062 CB ASN A 75 -20.247 3.925 -4.210 1.00 0.00 C ATOM 1063 CG ASN A 75 -19.164 3.642 -3.166 1.00 0.00 C ATOM 1064 OD1 ASN A 75 -17.903 3.698 -3.504 1.00 0.00 O flip ATOM 1065 ND2 ASN A 75 -19.468 3.520 -1.983 1.00 0.00 N flip ATOM 0 H ASN A 75 -18.343 3.860 -5.959 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.741 5.552 -5.553 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -21.182 4.170 -3.707 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.428 3.026 -4.799 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -20.450 3.476 -1.711 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -18.739 3.463 -1.272 1.00 0.00 H new ATOM 1072 N ALA A 76 -17.824 6.308 -4.812 1.00 0.00 N ATOM 1073 CA ALA A 76 -16.883 7.169 -4.122 1.00 0.00 C ATOM 1074 C ALA A 76 -15.854 7.660 -5.124 1.00 0.00 C ATOM 1075 O ALA A 76 -15.839 7.166 -6.250 1.00 0.00 O ATOM 1076 CB ALA A 76 -16.179 6.402 -2.997 1.00 0.00 C ATOM 0 H ALA A 76 -17.462 5.896 -5.672 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.417 8.012 -3.682 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.476 7.063 -2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -16.920 6.043 -2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.639 5.553 -3.417 1.00 0.00 H new ATOM 1082 N ARG A 77 -15.288 8.828 -4.857 1.00 0.00 N ATOM 1083 CA ARG A 77 -14.368 9.423 -5.813 1.00 0.00 C ATOM 1084 C ARG A 77 -13.066 9.805 -5.130 1.00 0.00 C ATOM 1085 O ARG A 77 -13.074 10.489 -4.113 1.00 0.00 O ATOM 1086 CB ARG A 77 -15.008 10.630 -6.507 1.00 0.00 C ATOM 1087 CG ARG A 77 -14.168 11.026 -7.724 1.00 0.00 C ATOM 1088 CD ARG A 77 -14.829 12.203 -8.451 1.00 0.00 C ATOM 1089 NE ARG A 77 -16.091 11.772 -9.044 1.00 0.00 N ATOM 1090 CZ ARG A 77 -16.870 12.612 -9.725 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -16.421 13.790 -10.062 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -18.021 12.207 -10.183 1.00 0.00 N ATOM 0 H ARG A 77 -15.444 9.371 -4.008 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.141 8.683 -6.581 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -16.024 10.387 -6.817 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.078 11.467 -5.812 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -13.161 11.301 -7.409 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -14.070 10.177 -8.401 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -15.005 13.021 -7.752 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -14.164 12.584 -9.226 1.00 0.00 H new ATOM 0 HE ARG A 77 -16.385 10.801 -8.934 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -15.474 14.068 -9.804 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -17.017 14.433 -10.583 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -18.326 11.247 -10.020 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -18.617 12.850 -10.704 1.00 0.00 H new ATOM 1106 N VAL A 78 -11.971 9.537 -5.832 1.00 0.00 N ATOM 1107 CA VAL A 78 -10.653 9.872 -5.315 1.00 0.00 C ATOM 1108 C VAL A 78 -9.947 10.772 -6.321 1.00 0.00 C ATOM 1109 O VAL A 78 -10.164 10.642 -7.529 1.00 0.00 O ATOM 1110 CB VAL A 78 -9.843 8.593 -5.067 1.00 0.00 C ATOM 1111 CG1 VAL A 78 -9.355 8.004 -6.393 1.00 0.00 C ATOM 1112 CG2 VAL A 78 -8.639 8.896 -4.165 1.00 0.00 C ATOM 0 H VAL A 78 -11.970 9.094 -6.751 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.748 10.398 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.489 7.867 -4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.782 7.097 -6.199 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.212 7.764 -7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.723 8.731 -6.903 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.072 7.981 -3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.000 9.635 -4.648 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.989 9.287 -3.210 1.00 0.00 H new ATOM 1122 N ARG A 79 -9.392 11.860 -5.804 1.00 0.00 N ATOM 1123 CA ARG A 79 -8.458 12.659 -6.583 1.00 0.00 C ATOM 1124 C ARG A 79 -7.042 12.318 -6.148 1.00 0.00 C ATOM 1125 O ARG A 79 -6.814 12.030 -4.970 1.00 0.00 O ATOM 1126 CB ARG A 79 -8.722 14.145 -6.334 1.00 0.00 C ATOM 1127 CG ARG A 79 -10.084 14.518 -6.912 1.00 0.00 C ATOM 1128 CD ARG A 79 -10.375 15.992 -6.629 1.00 0.00 C ATOM 1129 NE ARG A 79 -11.681 16.343 -7.168 1.00 0.00 N ATOM 1130 CZ ARG A 79 -12.059 17.610 -7.309 1.00 0.00 C ATOM 1131 NH1 ARG A 79 -11.255 18.581 -6.978 1.00 0.00 N ATOM 1132 NH2 ARG A 79 -13.285 17.891 -7.646 1.00 0.00 N ATOM 0 H ARG A 79 -9.569 12.206 -4.861 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.584 12.445 -7.644 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -8.697 14.357 -5.265 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.940 14.748 -6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.097 14.334 -7.986 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.861 13.893 -6.472 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.351 16.178 -5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -9.604 16.618 -7.078 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.322 15.599 -7.444 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.328 18.372 -6.608 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.553 19.550 -7.089 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.956 17.139 -7.802 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.574 18.863 -7.754 1.00 0.00 H new ATOM 1146 N LEU A 80 -6.147 12.158 -7.113 1.00 0.00 N ATOM 1147 CA LEU A 80 -4.755 11.904 -6.781 1.00 0.00 C ATOM 1148 C LEU A 80 -3.953 13.171 -7.067 1.00 0.00 C ATOM 1149 O LEU A 80 -4.054 13.743 -8.156 1.00 0.00 O ATOM 1150 CB LEU A 80 -4.242 10.739 -7.636 1.00 0.00 C ATOM 1151 CG LEU A 80 -5.112 9.497 -7.392 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -6.367 9.550 -8.272 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -4.320 8.227 -7.719 1.00 0.00 C ATOM 0 H LEU A 80 -6.354 12.198 -8.111 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.649 11.639 -5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.267 11.011 -8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.203 10.522 -7.387 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.406 9.481 -6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.976 8.665 -8.091 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.944 10.443 -8.030 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.074 9.580 -9.322 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.946 7.352 -7.543 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.013 8.249 -8.765 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.437 8.175 -7.083 1.00 0.00 H new ATOM 1165 N ARG A 81 -3.327 13.704 -6.022 1.00 0.00 N ATOM 1166 CA ARG A 81 -2.598 14.964 -6.114 1.00 0.00 C ATOM 1167 C ARG A 81 -1.100 14.704 -6.081 1.00 0.00 C ATOM 1168 O ARG A 81 -0.614 14.061 -5.161 1.00 0.00 O ATOM 1169 CB ARG A 81 -2.991 15.899 -4.966 1.00 0.00 C ATOM 1170 CG ARG A 81 -4.433 16.381 -5.141 1.00 0.00 C ATOM 1171 CD ARG A 81 -4.821 17.274 -3.958 1.00 0.00 C ATOM 1172 NE ARG A 81 -6.186 17.764 -4.115 1.00 0.00 N ATOM 1173 CZ ARG A 81 -6.784 18.482 -3.165 1.00 0.00 C ATOM 1174 NH1 ARG A 81 -6.172 18.728 -2.038 1.00 0.00 N ATOM 1175 NH2 ARG A 81 -8.047 18.792 -3.281 1.00 0.00 N ATOM 0 H ARG A 81 -3.311 13.279 -5.095 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.857 15.444 -7.058 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.888 15.379 -4.013 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.316 16.754 -4.938 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.532 16.934 -6.075 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.108 15.527 -5.203 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.734 16.713 -3.027 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.132 18.116 -3.888 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.695 17.552 -4.973 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.230 18.370 -1.880 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.636 19.278 -1.315 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.575 18.485 -4.098 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.506 19.342 -2.555 1.00 0.00 H new ATOM 1189 N GLN A 82 -0.367 15.412 -6.939 1.00 0.00 N ATOM 1190 CA GLN A 82 1.070 15.195 -7.045 1.00 0.00 C ATOM 1191 C GLN A 82 1.824 16.424 -6.545 1.00 0.00 C ATOM 1192 O GLN A 82 1.672 17.528 -7.068 1.00 0.00 O ATOM 1193 CB GLN A 82 1.445 14.851 -8.489 1.00 0.00 C ATOM 1194 CG GLN A 82 0.874 13.471 -8.819 1.00 0.00 C ATOM 1195 CD GLN A 82 1.149 13.114 -10.274 1.00 0.00 C ATOM 1196 OE1 GLN A 82 0.654 13.784 -11.184 1.00 0.00 O ATOM 1197 NE2 GLN A 82 1.805 12.020 -10.552 1.00 0.00 N ATOM 0 H GLN A 82 -0.739 16.130 -7.561 1.00 0.00 H new ATOM 0 HA GLN A 82 1.356 14.351 -6.417 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.047 15.600 -9.173 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.528 14.852 -8.610 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.318 12.721 -8.164 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.200 13.461 -8.633 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.214 11.466 -9.800 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.908 11.720 -11.521 1.00 0.00 H new ATOM 1206 N LYS A 83 2.333 16.234 -5.336 1.00 0.00 N ATOM 1207 CA LYS A 83 3.251 17.135 -4.651 1.00 0.00 C ATOM 1208 C LYS A 83 4.341 16.218 -4.106 1.00 0.00 C ATOM 1209 O LYS A 83 4.150 14.999 -4.173 1.00 0.00 O ATOM 1210 CB LYS A 83 2.503 17.823 -3.503 1.00 0.00 C ATOM 1211 CG LYS A 83 1.422 18.759 -4.062 1.00 0.00 C ATOM 1212 CD LYS A 83 0.593 19.368 -2.925 1.00 0.00 C ATOM 1213 CE LYS A 83 1.378 20.477 -2.215 1.00 0.00 C ATOM 1214 NZ LYS A 83 0.500 21.129 -1.205 1.00 0.00 N ATOM 0 H LYS A 83 2.107 15.409 -4.780 1.00 0.00 H new ATOM 0 HA LYS A 83 3.659 17.915 -5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.047 17.074 -2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.204 18.390 -2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.888 19.553 -4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.770 18.207 -4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.338 19.772 -3.323 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.323 18.592 -2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.262 20.061 -1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.728 21.213 -2.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.028 21.882 -0.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.330 21.538 -1.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.188 20.422 -0.509 1.00 0.00 H new ATOM 1228 N ARG A 84 5.505 16.702 -3.664 1.00 0.00 N ATOM 1229 CA ARG A 84 6.374 15.713 -3.027 1.00 0.00 C ATOM 1230 C ARG A 84 5.848 15.589 -1.595 1.00 0.00 C ATOM 1231 O ARG A 84 6.617 15.402 -0.650 1.00 0.00 O ATOM 1232 CB ARG A 84 7.796 16.300 -3.039 1.00 0.00 C ATOM 1233 CG ARG A 84 8.847 15.326 -2.504 1.00 0.00 C ATOM 1234 CD ARG A 84 10.211 16.024 -2.506 1.00 0.00 C ATOM 1235 NE ARG A 84 11.261 15.067 -2.172 1.00 0.00 N ATOM 1236 CZ ARG A 84 12.471 15.458 -1.770 1.00 0.00 C ATOM 1237 NH1 ARG A 84 12.726 16.714 -1.513 1.00 0.00 N ATOM 1238 NH2 ARG A 84 13.361 14.561 -1.448 1.00 0.00 N ATOM 0 H ARG A 84 5.842 17.663 -3.723 1.00 0.00 H new ATOM 0 HA ARG A 84 6.387 14.740 -3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.057 16.585 -4.058 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.813 17.210 -2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.587 15.007 -1.495 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.881 14.429 -3.123 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.404 16.461 -3.486 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.211 16.843 -1.786 1.00 0.00 H new ATOM 0 HE ARG A 84 11.063 14.069 -2.248 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.993 17.415 -1.619 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.658 16.993 -1.207 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.129 13.569 -1.505 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.289 14.851 -1.140 1.00 0.00 H new ATOM 1252 N MET A 85 4.575 15.195 -1.554 1.00 0.00 N ATOM 1253 CA MET A 85 3.955 14.271 -0.614 1.00 0.00 C ATOM 1254 C MET A 85 2.865 13.554 -1.406 1.00 0.00 C ATOM 1255 O MET A 85 2.011 14.252 -1.955 1.00 0.00 O ATOM 1256 CB MET A 85 3.292 15.094 0.496 1.00 0.00 C ATOM 1257 CG MET A 85 4.164 15.151 1.751 1.00 0.00 C ATOM 1258 SD MET A 85 5.321 16.539 1.623 1.00 0.00 S ATOM 1259 CE MET A 85 6.396 16.072 3.004 1.00 0.00 C ATOM 0 H MET A 85 3.899 15.544 -2.234 1.00 0.00 H new ATOM 0 HA MET A 85 4.671 13.575 -0.177 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.104 16.106 0.137 1.00 0.00 H new ATOM 0 HB3 MET A 85 2.324 14.659 0.744 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.538 15.266 2.636 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.713 14.216 1.868 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.195 16.806 3.107 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.813 16.039 3.924 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.828 15.090 2.813 1.00 0.00 H new ATOM 1269 N PRO A 86 2.841 12.218 -1.560 1.00 0.00 N ATOM 1270 CA PRO A 86 1.642 11.598 -2.193 1.00 0.00 C ATOM 1271 C PRO A 86 0.396 11.852 -1.346 1.00 0.00 C ATOM 1272 O PRO A 86 0.420 11.622 -0.139 1.00 0.00 O ATOM 1273 CB PRO A 86 1.984 10.109 -2.301 1.00 0.00 C ATOM 1274 CG PRO A 86 3.467 10.012 -2.164 1.00 0.00 C ATOM 1275 CD PRO A 86 3.953 11.263 -1.424 1.00 0.00 C ATOM 0 HA PRO A 86 1.413 12.019 -3.172 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.483 9.537 -1.520 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.654 9.702 -3.257 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.742 9.112 -1.614 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.937 9.942 -3.145 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.168 11.048 -0.377 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.870 11.655 -1.864 1.00 0.00 H new ATOM 1283 N HIS A 87 -0.731 12.113 -2.010 1.00 0.00 N ATOM 1284 CA HIS A 87 -1.974 12.394 -1.295 1.00 0.00 C ATOM 1285 C HIS A 87 -3.177 12.026 -2.154 1.00 0.00 C ATOM 1286 O HIS A 87 -3.253 12.426 -3.316 1.00 0.00 O ATOM 1287 CB HIS A 87 -2.033 13.880 -0.920 1.00 0.00 C ATOM 1288 CG HIS A 87 -3.133 14.111 0.083 1.00 0.00 C ATOM 1289 ND1 HIS A 87 -3.036 13.648 1.387 1.00 0.00 N ATOM 1290 CD2 HIS A 87 -4.456 14.446 -0.073 1.00 0.00 C ATOM 1291 CE1 HIS A 87 -4.278 13.612 1.898 1.00 0.00 C ATOM 1292 NE2 HIS A 87 -5.195 13.894 0.971 1.00 0.00 N ATOM 0 H HIS A 87 -0.808 12.135 -3.027 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.999 11.793 -0.386 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.077 14.198 -0.504 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.209 14.482 -1.811 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.859 15.043 -0.878 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.505 13.384 2.929 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.202 13.741 1.016 1.00 0.00 H new ATOM 1301 N ILE A 88 -4.163 11.379 -1.542 1.00 0.00 N ATOM 1302 CA ILE A 88 -5.450 11.175 -2.197 1.00 0.00 C ATOM 1303 C ILE A 88 -6.594 11.649 -1.305 1.00 0.00 C ATOM 1304 O ILE A 88 -6.455 11.663 -0.080 1.00 0.00 O ATOM 1305 CB ILE A 88 -5.656 9.706 -2.576 1.00 0.00 C ATOM 1306 CG1 ILE A 88 -5.670 8.814 -1.329 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -4.512 9.267 -3.495 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -6.070 7.384 -1.709 1.00 0.00 C ATOM 0 H ILE A 88 -4.097 10.990 -0.601 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.448 11.767 -3.112 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.616 9.606 -3.083 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.685 8.813 -0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.370 9.213 -0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.648 8.222 -3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.511 9.883 -4.394 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.562 9.384 -2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.077 6.759 -0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.065 7.391 -2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.353 6.984 -2.426 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.641 12.192 -1.920 1.00 0.00 N ATOM 1321 CA VAL A 89 -8.839 12.575 -1.180 1.00 0.00 C ATOM 1322 C VAL A 89 -10.048 11.773 -1.656 1.00 0.00 C ATOM 1323 O VAL A 89 -10.454 11.874 -2.812 1.00 0.00 O ATOM 1324 CB VAL A 89 -9.106 14.079 -1.329 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -8.074 14.867 -0.517 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -9.010 14.508 -2.799 1.00 0.00 C ATOM 0 H VAL A 89 -7.684 12.376 -2.922 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.672 12.354 -0.126 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.112 14.284 -0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.265 15.935 -0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.149 14.589 0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.073 14.639 -0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.203 15.578 -2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.011 14.290 -3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.748 13.961 -3.387 1.00 0.00 H new ATOM 1336 N VAL A 90 -10.773 11.216 -0.690 1.00 0.00 N ATOM 1337 CA VAL A 90 -11.828 10.252 -0.978 1.00 0.00 C ATOM 1338 C VAL A 90 -13.150 10.800 -0.454 1.00 0.00 C ATOM 1339 O VAL A 90 -13.294 11.037 0.745 1.00 0.00 O ATOM 1340 CB VAL A 90 -11.524 8.915 -0.287 1.00 0.00 C ATOM 1341 CG1 VAL A 90 -12.752 7.995 -0.334 1.00 0.00 C ATOM 1342 CG2 VAL A 90 -10.345 8.225 -0.985 1.00 0.00 C ATOM 0 H VAL A 90 -10.648 11.417 0.302 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.887 10.089 -2.054 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.269 9.113 0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.519 7.052 0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.587 8.476 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.024 7.803 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.134 7.277 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.597 8.041 -2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.465 8.866 -0.932 1.00 0.00 H new ATOM 1352 N LYS A 91 -14.158 10.762 -1.316 1.00 0.00 N ATOM 1353 CA LYS A 91 -15.522 11.036 -0.908 1.00 0.00 C ATOM 1354 C LYS A 91 -16.380 9.863 -1.352 1.00 0.00 C ATOM 1355 O LYS A 91 -16.450 9.584 -2.545 1.00 0.00 O ATOM 1356 CB LYS A 91 -16.061 12.350 -1.512 1.00 0.00 C ATOM 1357 CG LYS A 91 -15.402 12.767 -2.843 1.00 0.00 C ATOM 1358 CD LYS A 91 -13.923 13.167 -2.688 1.00 0.00 C ATOM 1359 CE LYS A 91 -13.352 13.603 -4.040 1.00 0.00 C ATOM 1360 NZ LYS A 91 -11.921 13.982 -3.866 1.00 0.00 N ATOM 0 H LYS A 91 -14.051 10.542 -2.306 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.552 11.159 0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.135 12.247 -1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.921 13.151 -0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.476 11.942 -3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.955 13.604 -3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.831 13.979 -1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.350 12.327 -2.296 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.441 12.793 -4.764 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.919 14.447 -4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.613 14.555 -4.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.812 14.534 -2.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.339 13.122 -3.808 1.00 0.00 H new ATOM 1374 N CYS A 92 -17.156 9.304 -0.428 1.00 0.00 N ATOM 1375 CA CYS A 92 -18.062 8.222 -0.789 1.00 0.00 C ATOM 1376 C CYS A 92 -19.491 8.735 -0.679 1.00 0.00 C ATOM 1377 O CYS A 92 -19.976 9.020 0.413 1.00 0.00 O ATOM 1378 CB CYS A 92 -17.833 6.984 0.090 1.00 0.00 C ATOM 1379 SG CYS A 92 -19.351 6.019 0.315 1.00 0.00 S ATOM 0 H CYS A 92 -17.176 9.575 0.555 1.00 0.00 H new ATOM 0 HA CYS A 92 -17.869 7.908 -1.815 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -17.067 6.354 -0.363 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -17.454 7.296 1.063 1.00 0.00 H new ATOM 1384 N LEU A 93 -20.235 8.516 -1.751 1.00 0.00 N ATOM 1385 CA LEU A 93 -21.505 9.194 -1.968 1.00 0.00 C ATOM 1386 C LEU A 93 -22.493 8.815 -0.869 1.00 0.00 C ATOM 1387 O LEU A 93 -23.253 9.665 -0.408 1.00 0.00 O ATOM 1388 CB LEU A 93 -22.025 8.888 -3.379 1.00 0.00 C ATOM 1389 CG LEU A 93 -21.127 9.595 -4.405 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -21.418 9.068 -5.815 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -21.392 11.107 -4.372 1.00 0.00 C ATOM 0 H LEU A 93 -19.978 7.866 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 93 -21.370 10.274 -1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -22.025 7.812 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -23.056 9.228 -3.483 1.00 0.00 H new ATOM 0 HG LEU A 93 -20.086 9.396 -4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -20.775 9.577 -6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -21.224 7.996 -5.850 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -22.462 9.256 -6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -20.753 11.604 -5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -22.437 11.299 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -21.174 11.493 -3.376 1.00 0.00 H new ATOM 1403 N GLU A 94 -22.497 7.540 -0.480 1.00 0.00 N ATOM 1404 CA GLU A 94 -23.568 7.038 0.374 1.00 0.00 C ATOM 1405 C GLU A 94 -23.491 7.734 1.733 1.00 0.00 C ATOM 1406 O GLU A 94 -24.521 7.937 2.370 1.00 0.00 O ATOM 1407 CB GLU A 94 -23.502 5.519 0.605 1.00 0.00 C ATOM 1408 CG GLU A 94 -22.700 4.797 -0.481 1.00 0.00 C ATOM 1409 CD GLU A 94 -23.195 5.152 -1.879 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -24.388 5.043 -2.111 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -22.445 5.835 -2.556 1.00 0.00 O ATOM 0 H GLU A 94 -21.789 6.852 -0.736 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.505 7.251 -0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -23.051 5.322 1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -24.514 5.115 0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -21.646 5.060 -0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -22.773 3.720 -0.332 1.00 0.00 H new ATOM 1418 N CYS A 95 -22.272 7.970 2.238 1.00 0.00 N ATOM 1419 CA CYS A 95 -22.137 8.777 3.448 1.00 0.00 C ATOM 1420 C CYS A 95 -22.334 10.251 3.088 1.00 0.00 C ATOM 1421 O CYS A 95 -22.668 11.055 3.954 1.00 0.00 O ATOM 1422 CB CYS A 95 -20.779 8.624 4.154 1.00 0.00 C ATOM 1423 SG CYS A 95 -19.375 8.448 3.021 1.00 0.00 S ATOM 0 H CYS A 95 -21.397 7.626 1.842 1.00 0.00 H new ATOM 0 HA CYS A 95 -22.897 8.419 4.143 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -20.612 9.493 4.791 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -20.817 7.752 4.807 1.00 0.00 H new ATOM 1428 N GLY A 96 -21.887 10.631 1.889 1.00 0.00 N ATOM 1429 CA GLY A 96 -21.850 12.038 1.489 1.00 0.00 C ATOM 1430 C GLY A 96 -20.622 12.757 2.042 1.00 0.00 C ATOM 1431 O GLY A 96 -20.557 13.983 2.037 1.00 0.00 O ATOM 0 H GLY A 96 -21.546 9.983 1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -21.851 12.106 0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -22.752 12.539 1.840 1.00 0.00 H new ATOM 1435 N HIS A 97 -19.650 11.983 2.514 1.00 0.00 N ATOM 1436 CA HIS A 97 -18.557 12.528 3.317 1.00 0.00 C ATOM 1437 C HIS A 97 -17.199 12.300 2.668 1.00 0.00 C ATOM 1438 O HIS A 97 -16.958 11.261 2.056 1.00 0.00 O ATOM 1439 CB HIS A 97 -18.568 11.948 4.732 1.00 0.00 C ATOM 1440 CG HIS A 97 -19.811 12.407 5.448 1.00 0.00 C ATOM 1441 ND1 HIS A 97 -19.996 13.743 5.769 1.00 0.00 N ATOM 1442 CD2 HIS A 97 -20.745 11.736 6.200 1.00 0.00 C ATOM 1443 CE1 HIS A 97 -21.174 13.843 6.412 1.00 0.00 C ATOM 1444 NE2 HIS A 97 -21.725 12.642 6.608 1.00 0.00 N ATOM 0 H HIS A 97 -19.595 10.977 2.355 1.00 0.00 H new ATOM 0 HA HIS A 97 -18.721 13.604 3.377 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -18.539 10.859 4.691 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -17.681 12.271 5.277 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -20.724 10.682 6.436 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -21.617 14.775 6.729 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -22.654 12.434 6.974 1.00 0.00 H new ATOM 1453 N ILE A 98 -16.299 13.247 2.918 1.00 0.00 N ATOM 1454 CA ILE A 98 -14.952 13.230 2.355 1.00 0.00 C ATOM 1455 C ILE A 98 -13.915 12.959 3.440 1.00 0.00 C ATOM 1456 O ILE A 98 -14.125 13.311 4.596 1.00 0.00 O ATOM 1457 CB ILE A 98 -14.622 14.566 1.679 1.00 0.00 C ATOM 1458 CG1 ILE A 98 -13.220 14.475 1.062 1.00 0.00 C ATOM 1459 CG2 ILE A 98 -14.675 15.710 2.694 1.00 0.00 C ATOM 1460 CD1 ILE A 98 -12.944 15.680 0.155 1.00 0.00 C ATOM 0 H ILE A 98 -16.484 14.050 3.519 1.00 0.00 H new ATOM 0 HA ILE A 98 -14.921 12.432 1.613 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.358 14.769 0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -12.472 14.431 1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -13.130 13.553 0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -14.438 16.650 2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.675 15.769 3.124 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -13.950 15.527 3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.944 15.593 -0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.680 15.707 -0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -13.011 16.598 0.739 1.00 0.00 H new ATOM 1472 N MET A 99 -13.020 12.029 3.132 1.00 0.00 N ATOM 1473 CA MET A 99 -11.850 11.787 3.970 1.00 0.00 C ATOM 1474 C MET A 99 -10.564 11.934 3.169 1.00 0.00 C ATOM 1475 O MET A 99 -10.555 11.742 1.953 1.00 0.00 O ATOM 1476 CB MET A 99 -11.930 10.375 4.549 1.00 0.00 C ATOM 1477 CG MET A 99 -13.107 10.302 5.525 1.00 0.00 C ATOM 1478 SD MET A 99 -13.210 8.646 6.251 1.00 0.00 S ATOM 1479 CE MET A 99 -13.857 7.795 4.789 1.00 0.00 C ATOM 0 H MET A 99 -13.081 11.430 2.309 1.00 0.00 H new ATOM 0 HA MET A 99 -11.840 12.524 4.773 1.00 0.00 H new ATOM 0 HB2 MET A 99 -12.059 9.647 3.748 1.00 0.00 H new ATOM 0 HB3 MET A 99 -11.001 10.125 5.061 1.00 0.00 H new ATOM 0 HG2 MET A 99 -12.984 11.046 6.312 1.00 0.00 H new ATOM 0 HG3 MET A 99 -14.036 10.538 5.006 1.00 0.00 H new ATOM 0 HE1 MET A 99 -14.740 7.219 5.064 1.00 0.00 H new ATOM 0 HE2 MET A 99 -14.125 8.529 4.029 1.00 0.00 H new ATOM 0 HE3 MET A 99 -13.096 7.124 4.392 1.00 0.00 H new ATOM 1489 N ARG A 100 -9.526 12.412 3.844 1.00 0.00 N ATOM 1490 CA ARG A 100 -8.211 12.582 3.236 1.00 0.00 C ATOM 1491 C ARG A 100 -7.293 11.438 3.650 1.00 0.00 C ATOM 1492 O ARG A 100 -7.082 11.211 4.845 1.00 0.00 O ATOM 1493 CB ARG A 100 -7.608 13.907 3.715 1.00 0.00 C ATOM 1494 CG ARG A 100 -8.455 15.075 3.206 1.00 0.00 C ATOM 1495 CD ARG A 100 -7.929 16.393 3.782 1.00 0.00 C ATOM 1496 NE ARG A 100 -6.579 16.658 3.294 1.00 0.00 N ATOM 1497 CZ ARG A 100 -5.866 17.688 3.744 1.00 0.00 C ATOM 1498 NH1 ARG A 100 -6.352 18.485 4.656 1.00 0.00 N ATOM 1499 NH2 ARG A 100 -4.652 17.879 3.304 1.00 0.00 N ATOM 0 H ARG A 100 -9.571 12.692 4.824 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.313 12.585 2.151 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.564 13.925 4.804 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.584 14.003 3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.427 15.108 2.117 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.497 14.933 3.494 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.592 17.211 3.500 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.926 16.346 4.871 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.173 16.040 2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.286 18.321 5.031 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.797 19.271 4.994 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -4.252 17.240 2.617 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -4.103 18.667 3.647 1.00 0.00 H new ATOM 1513 N TYR A 101 -6.565 10.898 2.675 1.00 0.00 N ATOM 1514 CA TYR A 101 -5.626 9.809 2.928 1.00 0.00 C ATOM 1515 C TYR A 101 -4.253 10.200 2.381 1.00 0.00 C ATOM 1516 O TYR A 101 -4.075 10.296 1.169 1.00 0.00 O ATOM 1517 CB TYR A 101 -6.123 8.521 2.252 1.00 0.00 C ATOM 1518 CG TYR A 101 -6.082 7.355 3.213 1.00 0.00 C ATOM 1519 CD1 TYR A 101 -4.876 6.988 3.820 1.00 0.00 C ATOM 1520 CD2 TYR A 101 -7.176 6.482 3.276 1.00 0.00 C ATOM 1521 CE1 TYR A 101 -4.841 5.899 4.700 1.00 0.00 C ATOM 1522 CE2 TYR A 101 -7.141 5.379 4.145 1.00 0.00 C ATOM 1523 CZ TYR A 101 -5.956 5.059 4.820 1.00 0.00 C ATOM 1524 OH TYR A 101 -5.868 3.898 5.564 1.00 0.00 O ATOM 0 H TYR A 101 -6.608 11.198 1.701 1.00 0.00 H new ATOM 0 HA TYR A 101 -5.550 9.628 4.000 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -7.142 8.665 1.892 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.505 8.301 1.381 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.974 7.543 3.610 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -8.044 6.657 2.658 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -3.955 5.707 5.286 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.026 4.778 4.293 1.00 0.00 H new ATOM 0 HH TYR A 101 -6.730 3.432 5.546 1.00 0.00 H new ATOM 1534 N PRO A 102 -3.347 10.694 3.249 1.00 0.00 N ATOM 1535 CA PRO A 102 -1.913 10.871 2.877 1.00 0.00 C ATOM 1536 C PRO A 102 -1.179 9.545 2.674 1.00 0.00 C ATOM 1537 O PRO A 102 -1.422 8.580 3.398 1.00 0.00 O ATOM 1538 CB PRO A 102 -1.352 11.659 4.063 1.00 0.00 C ATOM 1539 CG PRO A 102 -2.157 11.212 5.235 1.00 0.00 C ATOM 1540 CD PRO A 102 -3.555 10.894 4.698 1.00 0.00 C ATOM 0 HA PRO A 102 -1.790 11.377 1.919 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.292 11.451 4.209 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.448 12.733 3.904 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -1.710 10.334 5.702 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.201 11.990 5.997 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.969 10.002 5.168 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.252 11.710 4.892 1.00 0.00 H new ATOM 1548 N TYR A 103 -0.203 9.557 1.766 1.00 0.00 N ATOM 1549 CA TYR A 103 0.687 8.415 1.580 1.00 0.00 C ATOM 1550 C TYR A 103 2.134 8.879 1.424 1.00 0.00 C ATOM 1551 O TYR A 103 2.393 9.927 0.845 1.00 0.00 O ATOM 1552 CB TYR A 103 0.241 7.617 0.349 1.00 0.00 C ATOM 1553 CG TYR A 103 1.129 6.408 0.163 1.00 0.00 C ATOM 1554 CD1 TYR A 103 0.955 5.286 0.978 1.00 0.00 C ATOM 1555 CD2 TYR A 103 2.136 6.417 -0.812 1.00 0.00 C ATOM 1556 CE1 TYR A 103 1.727 4.138 0.766 1.00 0.00 C ATOM 1557 CE2 TYR A 103 2.933 5.282 -0.995 1.00 0.00 C ATOM 1558 CZ TYR A 103 2.684 4.120 -0.254 1.00 0.00 C ATOM 1559 OH TYR A 103 3.485 3.009 -0.423 1.00 0.00 O ATOM 0 H TYR A 103 -0.010 10.346 1.149 1.00 0.00 H new ATOM 0 HA TYR A 103 0.634 7.775 2.460 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.796 7.302 0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.283 8.249 -0.538 1.00 0.00 H new ATOM 0 HD1 TYR A 103 0.224 5.305 1.773 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.296 7.296 -1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 103 1.584 3.267 1.389 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.743 5.302 -1.710 1.00 0.00 H new ATOM 0 HH TYR A 103 4.095 3.157 -1.175 1.00 0.00 H new ATOM 1569 N ILE A 104 3.066 8.073 1.932 1.00 0.00 N ATOM 1570 CA ILE A 104 4.491 8.372 1.805 1.00 0.00 C ATOM 1571 C ILE A 104 5.242 7.160 1.248 1.00 0.00 C ATOM 1572 O ILE A 104 4.818 6.024 1.468 1.00 0.00 O ATOM 1573 CB ILE A 104 5.077 8.784 3.162 1.00 0.00 C ATOM 1574 CG1 ILE A 104 6.527 9.259 2.994 1.00 0.00 C ATOM 1575 CG2 ILE A 104 5.045 7.603 4.134 1.00 0.00 C ATOM 1576 CD1 ILE A 104 6.570 10.562 2.191 1.00 0.00 C ATOM 0 H ILE A 104 2.860 7.210 2.434 1.00 0.00 H new ATOM 0 HA ILE A 104 4.608 9.204 1.111 1.00 0.00 H new ATOM 0 HB ILE A 104 4.473 9.599 3.562 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.982 9.412 3.972 1.00 0.00 H new ATOM 0 HG13 ILE A 104 7.112 8.492 2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.464 7.909 5.093 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.015 7.276 4.276 1.00 0.00 H new ATOM 0 HG23 ILE A 104 5.634 6.781 3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 104 7.604 10.887 2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 104 6.134 10.397 1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.002 11.331 2.715 1.00 0.00 H new ATOM 1588 N LYS A 105 6.109 7.410 0.271 1.00 0.00 N ATOM 1589 CA LYS A 105 6.951 6.354 -0.281 1.00 0.00 C ATOM 1590 C LYS A 105 8.359 6.435 0.308 1.00 0.00 C ATOM 1591 O LYS A 105 8.900 5.393 0.639 1.00 0.00 O ATOM 1592 CB LYS A 105 7.008 6.509 -1.802 1.00 0.00 C ATOM 1593 CG LYS A 105 7.782 5.350 -2.435 1.00 0.00 C ATOM 1594 CD LYS A 105 7.762 5.504 -3.958 1.00 0.00 C ATOM 1595 CE LYS A 105 8.515 4.345 -4.617 1.00 0.00 C ATOM 1596 NZ LYS A 105 8.461 4.505 -6.096 1.00 0.00 N ATOM 0 H LYS A 105 6.246 8.328 -0.152 1.00 0.00 H new ATOM 0 HA LYS A 105 6.529 5.382 -0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 105 5.997 6.542 -2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.485 7.455 -2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.810 5.342 -2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 105 7.335 4.398 -2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.732 5.528 -4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 105 8.219 6.452 -4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.551 4.329 -4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 105 8.070 3.394 -4.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 8.971 3.720 -6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.469 4.500 -6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 8.905 5.407 -6.364 1.00 0.00 H new TER 1610 LYS A 105 HETATM 1611 ZN ZN A 124 -19.496 6.200 2.599 1.00 0.00 ZN