USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 MET CE :methyl 175:sc= 0 (180deg=-0.00852) USER MOD Set 1.2: A 82 MET CE :methyl 165:sc= 0 (180deg=0) USER MOD Set 2.1: A 71 LYS NZ :NH3+ 168:sc= -1.09 (180deg=-1.53) USER MOD Set 2.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 35 ASN : amide:sc= 0.72 K(o=2.5,f=-4.4!) USER MOD Set 3.2: A 80 LYS NZ :NH3+ -165:sc= 1.8 (180deg=1.02) USER MOD Single : A 32 ASN : amide:sc= -0.622 K(o=-0.62,f=-1.4) USER MOD Single : A 34 SER OG : rot 170:sc= 0.0733 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.698 K(o=0.7,f=-2.3!) USER MOD Single : A 61 GLN : amide:sc= -0.0326 X(o=-0.033,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0316 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= -0.0747 USER MOD Single : A 85 THR OG1 : rot 44:sc= 1.24 USER MOD Single : A 87 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0239) USER MOD Single : A 91 LYS NZ :NH3+ 141:sc= 0.938 (180deg=-0.249) USER MOD Single : A 98 MET CE :methyl 169:sc= 0 (180deg=-0.139) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 31 -5.690 18.471 -11.283 1.00 0.00 N ATOM 2 CA PHE A 31 -4.641 17.512 -10.872 1.00 0.00 C ATOM 3 C PHE A 31 -5.220 16.100 -10.908 1.00 0.00 C ATOM 4 O PHE A 31 -6.158 15.833 -10.167 1.00 0.00 O ATOM 5 CB PHE A 31 -4.115 17.802 -9.455 1.00 0.00 C ATOM 6 CG PHE A 31 -3.178 18.990 -9.324 1.00 0.00 C ATOM 7 CD1 PHE A 31 -1.865 18.911 -9.832 1.00 0.00 C ATOM 8 CD2 PHE A 31 -3.580 20.147 -8.626 1.00 0.00 C ATOM 9 CE1 PHE A 31 -0.964 19.976 -9.640 1.00 0.00 C ATOM 10 CE2 PHE A 31 -2.685 21.216 -8.447 1.00 0.00 C ATOM 11 CZ PHE A 31 -1.374 21.128 -8.947 1.00 0.00 C ATOM 0 HA PHE A 31 -3.806 17.611 -11.565 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.969 17.964 -8.798 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.597 16.914 -9.092 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.549 18.030 -10.371 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.581 20.212 -8.227 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.043 19.908 -10.025 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.005 22.106 -7.925 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.683 21.945 -8.799 1.00 0.00 H new ATOM 21 N ASN A 32 -4.715 15.206 -11.766 1.00 0.00 N ATOM 22 CA ASN A 32 -5.309 13.880 -11.994 1.00 0.00 C ATOM 23 C ASN A 32 -4.221 12.862 -12.397 1.00 0.00 C ATOM 24 O ASN A 32 -3.611 13.029 -13.449 1.00 0.00 O ATOM 25 CB ASN A 32 -6.363 13.988 -13.123 1.00 0.00 C ATOM 26 CG ASN A 32 -7.514 14.935 -12.815 1.00 0.00 C ATOM 27 OD1 ASN A 32 -7.380 16.150 -12.881 1.00 0.00 O ATOM 28 ND2 ASN A 32 -8.671 14.403 -12.491 1.00 0.00 N ATOM 0 H ASN A 32 -3.880 15.381 -12.325 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.781 13.536 -11.073 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -5.868 14.320 -14.036 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -6.767 12.996 -13.323 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -9.471 15.004 -12.291 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.770 13.389 -12.440 1.00 0.00 H new ATOM 35 N VAL A 33 -3.985 11.813 -11.593 1.00 0.00 N ATOM 36 CA VAL A 33 -2.930 10.799 -11.850 1.00 0.00 C ATOM 37 C VAL A 33 -3.345 9.339 -11.558 1.00 0.00 C ATOM 38 O VAL A 33 -2.610 8.400 -11.864 1.00 0.00 O ATOM 39 CB VAL A 33 -1.632 11.128 -11.071 1.00 0.00 C ATOM 40 CG1 VAL A 33 -0.981 12.426 -11.559 1.00 0.00 C ATOM 41 CG2 VAL A 33 -1.862 11.248 -9.557 1.00 0.00 C ATOM 0 H VAL A 33 -4.518 11.637 -10.741 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.755 10.861 -12.924 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.968 10.286 -11.265 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.074 12.617 -10.985 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.728 12.332 -12.615 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.676 13.255 -11.425 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.918 11.479 -9.063 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.580 12.044 -9.360 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.251 10.305 -9.172 1.00 0.00 H new ATOM 51 N SER A 34 -4.526 9.120 -10.986 1.00 0.00 N ATOM 52 CA SER A 34 -5.046 7.817 -10.553 1.00 0.00 C ATOM 53 C SER A 34 -5.877 7.115 -11.639 1.00 0.00 C ATOM 54 O SER A 34 -6.268 7.721 -12.633 1.00 0.00 O ATOM 55 CB SER A 34 -5.891 8.026 -9.284 1.00 0.00 C ATOM 56 OG SER A 34 -6.659 9.218 -9.381 1.00 0.00 O ATOM 0 H SER A 34 -5.181 9.880 -10.801 1.00 0.00 H new ATOM 0 HA SER A 34 -4.198 7.164 -10.349 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.553 7.172 -9.137 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.239 8.078 -8.412 1.00 0.00 H new ATOM 0 HG SER A 34 -7.305 9.252 -8.645 1.00 0.00 H new ATOM 62 N ASN A 35 -6.155 5.822 -11.436 1.00 0.00 N ATOM 63 CA ASN A 35 -7.051 5.024 -12.284 1.00 0.00 C ATOM 64 C ASN A 35 -8.035 4.229 -11.401 1.00 0.00 C ATOM 65 O ASN A 35 -9.241 4.456 -11.474 1.00 0.00 O ATOM 66 CB ASN A 35 -6.228 4.086 -13.199 1.00 0.00 C ATOM 67 CG ASN A 35 -5.267 4.771 -14.164 1.00 0.00 C ATOM 68 OD1 ASN A 35 -4.083 4.940 -13.885 1.00 0.00 O ATOM 69 ND2 ASN A 35 -5.718 5.165 -15.336 1.00 0.00 N ATOM 0 H ASN A 35 -5.756 5.290 -10.663 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.630 5.689 -12.925 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.655 3.406 -12.568 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.921 3.476 -13.779 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.086 5.606 -16.004 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.700 5.029 -15.577 1.00 0.00 H new ATOM 76 N ALA A 36 -7.507 3.356 -10.524 1.00 0.00 N ATOM 77 CA ALA A 36 -8.295 2.493 -9.635 1.00 0.00 C ATOM 78 C ALA A 36 -9.138 3.302 -8.621 1.00 0.00 C ATOM 79 O ALA A 36 -10.359 3.315 -8.713 1.00 0.00 O ATOM 80 CB ALA A 36 -7.335 1.493 -8.954 1.00 0.00 C ATOM 0 H ALA A 36 -6.501 3.231 -10.414 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.028 1.939 -10.222 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.901 0.841 -8.288 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.837 0.891 -9.714 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.588 2.040 -8.378 1.00 0.00 H new ATOM 86 N GLU A 37 -8.470 4.018 -7.707 1.00 0.00 N ATOM 87 CA GLU A 37 -9.026 5.020 -6.775 1.00 0.00 C ATOM 88 C GLU A 37 -7.847 5.785 -6.126 1.00 0.00 C ATOM 89 O GLU A 37 -6.750 5.792 -6.696 1.00 0.00 O ATOM 90 CB GLU A 37 -9.976 4.364 -5.746 1.00 0.00 C ATOM 91 CG GLU A 37 -11.018 5.364 -5.211 1.00 0.00 C ATOM 92 CD GLU A 37 -12.332 4.670 -4.827 1.00 0.00 C ATOM 93 OE1 GLU A 37 -12.311 3.851 -3.890 1.00 0.00 O ATOM 94 OE2 GLU A 37 -13.367 4.985 -5.468 1.00 0.00 O ATOM 0 H GLU A 37 -7.463 3.909 -7.588 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.645 5.739 -7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.487 3.520 -6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.393 3.967 -4.915 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.612 5.880 -4.341 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.216 6.122 -5.968 1.00 0.00 H new ATOM 101 N LEU A 38 -8.011 6.426 -4.954 1.00 0.00 N ATOM 102 CA LEU A 38 -6.936 7.179 -4.264 1.00 0.00 C ATOM 103 C LEU A 38 -6.699 6.819 -2.780 1.00 0.00 C ATOM 104 O LEU A 38 -5.697 7.254 -2.209 1.00 0.00 O ATOM 105 CB LEU A 38 -7.176 8.698 -4.438 1.00 0.00 C ATOM 106 CG LEU A 38 -6.617 9.264 -5.756 1.00 0.00 C ATOM 107 CD1 LEU A 38 -7.111 10.696 -5.981 1.00 0.00 C ATOM 108 CD2 LEU A 38 -5.082 9.296 -5.766 1.00 0.00 C ATOM 0 H LEU A 38 -8.899 6.439 -4.452 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.010 6.872 -4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.247 8.895 -4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.719 9.228 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.970 8.602 -6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.705 11.078 -6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.200 10.702 -6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.780 11.329 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.733 9.703 -6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.726 9.924 -4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.696 8.284 -5.641 1.00 0.00 H new ATOM 120 N ILE A 39 -7.560 5.994 -2.166 1.00 0.00 N ATOM 121 CA ILE A 39 -7.493 5.615 -0.731 1.00 0.00 C ATOM 122 C ILE A 39 -6.087 5.138 -0.325 1.00 0.00 C ATOM 123 O ILE A 39 -5.504 5.652 0.627 1.00 0.00 O ATOM 124 CB ILE A 39 -8.577 4.564 -0.389 1.00 0.00 C ATOM 125 CG1 ILE A 39 -9.968 5.138 -0.751 1.00 0.00 C ATOM 126 CG2 ILE A 39 -8.494 4.170 1.102 1.00 0.00 C ATOM 127 CD1 ILE A 39 -11.145 4.261 -0.329 1.00 0.00 C ATOM 0 H ILE A 39 -8.341 5.558 -2.656 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.698 6.510 -0.144 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.412 3.658 -0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.075 6.117 -0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.014 5.292 -1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.263 3.430 1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.512 3.747 1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.649 5.054 1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.079 4.740 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.067 3.289 -0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.130 4.127 0.753 1.00 0.00 H new ATOM 139 N VAL A 40 -5.511 4.209 -1.101 1.00 0.00 N ATOM 140 CA VAL A 40 -4.174 3.628 -0.871 1.00 0.00 C ATOM 141 C VAL A 40 -3.003 4.620 -0.928 1.00 0.00 C ATOM 142 O VAL A 40 -1.924 4.262 -0.480 1.00 0.00 O ATOM 143 CB VAL A 40 -3.904 2.448 -1.832 1.00 0.00 C ATOM 144 CG1 VAL A 40 -4.845 1.276 -1.548 1.00 0.00 C ATOM 145 CG2 VAL A 40 -4.033 2.832 -3.315 1.00 0.00 C ATOM 0 H VAL A 40 -5.971 3.829 -1.928 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.214 3.278 0.161 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.870 2.156 -1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.631 0.461 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.698 0.931 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.878 1.599 -1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.831 1.959 -3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.043 3.191 -3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.316 3.618 -3.551 1.00 0.00 H new ATOM 155 N MET A 41 -3.183 5.847 -1.436 1.00 0.00 N ATOM 156 CA MET A 41 -2.181 6.922 -1.299 1.00 0.00 C ATOM 157 C MET A 41 -2.481 7.770 -0.053 1.00 0.00 C ATOM 158 O MET A 41 -1.593 8.001 0.769 1.00 0.00 O ATOM 159 CB MET A 41 -2.183 7.811 -2.561 1.00 0.00 C ATOM 160 CG MET A 41 -1.163 8.962 -2.475 1.00 0.00 C ATOM 161 SD MET A 41 -1.375 10.274 -3.711 1.00 0.00 S ATOM 162 CE MET A 41 -0.558 9.523 -5.141 1.00 0.00 C ATOM 0 H MET A 41 -4.019 6.125 -1.950 1.00 0.00 H new ATOM 0 HA MET A 41 -1.195 6.472 -1.187 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.960 7.197 -3.434 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.181 8.225 -2.708 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.224 9.407 -1.482 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.160 8.547 -2.577 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.680 10.169 -6.011 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.504 9.397 -4.929 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.005 8.550 -5.346 1.00 0.00 H new ATOM 172 N ARG A 42 -3.735 8.218 0.099 1.00 0.00 N ATOM 173 CA ARG A 42 -4.134 9.165 1.150 1.00 0.00 C ATOM 174 C ARG A 42 -3.969 8.608 2.568 1.00 0.00 C ATOM 175 O ARG A 42 -3.675 9.385 3.470 1.00 0.00 O ATOM 176 CB ARG A 42 -5.551 9.704 0.860 1.00 0.00 C ATOM 177 CG ARG A 42 -6.060 10.628 1.982 1.00 0.00 C ATOM 178 CD ARG A 42 -7.256 11.514 1.610 1.00 0.00 C ATOM 179 NE ARG A 42 -7.805 12.179 2.813 1.00 0.00 N ATOM 180 CZ ARG A 42 -8.773 11.717 3.589 1.00 0.00 C ATOM 181 NH1 ARG A 42 -9.538 10.712 3.258 1.00 0.00 N ATOM 182 NH2 ARG A 42 -9.085 12.280 4.719 1.00 0.00 N ATOM 0 H ARG A 42 -4.505 7.932 -0.506 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.444 10.008 1.121 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -5.545 10.250 -0.084 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.239 8.867 0.740 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.337 10.013 2.839 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.239 11.270 2.302 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.947 12.264 0.882 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.030 10.910 1.137 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.399 13.079 3.068 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.404 10.242 2.363 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.270 10.397 3.895 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.577 13.107 5.034 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.837 11.895 5.290 1.00 0.00 H new ATOM 196 N VAL A 43 -4.140 7.303 2.795 1.00 0.00 N ATOM 197 CA VAL A 43 -3.982 6.737 4.155 1.00 0.00 C ATOM 198 C VAL A 43 -2.510 6.678 4.583 1.00 0.00 C ATOM 199 O VAL A 43 -2.142 7.278 5.591 1.00 0.00 O ATOM 200 CB VAL A 43 -4.715 5.388 4.340 1.00 0.00 C ATOM 201 CG1 VAL A 43 -6.215 5.574 4.064 1.00 0.00 C ATOM 202 CG2 VAL A 43 -4.160 4.212 3.507 1.00 0.00 C ATOM 0 H VAL A 43 -4.383 6.622 2.076 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.478 7.429 4.835 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.538 5.101 5.377 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.730 4.622 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.625 6.307 4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.356 5.925 3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.744 3.314 3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.225 4.455 2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.118 4.036 3.775 1.00 0.00 H new ATOM 212 N ILE A 44 -1.639 6.074 3.764 1.00 0.00 N ATOM 213 CA ILE A 44 -0.220 5.880 4.099 1.00 0.00 C ATOM 214 C ILE A 44 0.516 7.197 4.344 1.00 0.00 C ATOM 215 O ILE A 44 1.360 7.260 5.239 1.00 0.00 O ATOM 216 CB ILE A 44 0.474 5.074 2.987 1.00 0.00 C ATOM 217 CG1 ILE A 44 -0.208 3.694 2.882 1.00 0.00 C ATOM 218 CG2 ILE A 44 1.983 4.946 3.260 1.00 0.00 C ATOM 219 CD1 ILE A 44 0.237 2.918 1.642 1.00 0.00 C ATOM 0 H ILE A 44 -1.898 5.705 2.849 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.182 5.323 5.035 1.00 0.00 H new ATOM 0 HB ILE A 44 0.374 5.594 2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.020 3.110 3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.290 3.827 2.856 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.450 4.372 2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.430 5.939 3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.139 4.436 4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.271 1.954 1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.015 3.487 0.747 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.315 2.759 1.680 1.00 0.00 H new ATOM 231 N TRP A 45 0.177 8.243 3.584 1.00 0.00 N ATOM 232 CA TRP A 45 0.750 9.582 3.745 1.00 0.00 C ATOM 233 C TRP A 45 0.790 10.051 5.211 1.00 0.00 C ATOM 234 O TRP A 45 1.766 10.666 5.630 1.00 0.00 O ATOM 235 CB TRP A 45 -0.053 10.561 2.874 1.00 0.00 C ATOM 236 CG TRP A 45 0.336 11.992 3.069 1.00 0.00 C ATOM 237 CD1 TRP A 45 -0.113 12.781 4.070 1.00 0.00 C ATOM 238 CD2 TRP A 45 1.324 12.791 2.343 1.00 0.00 C ATOM 239 NE1 TRP A 45 0.569 13.976 4.057 1.00 0.00 N ATOM 240 CE2 TRP A 45 1.454 14.050 3.003 1.00 0.00 C ATOM 241 CE3 TRP A 45 2.136 12.572 1.208 1.00 0.00 C ATOM 242 CZ2 TRP A 45 2.347 15.039 2.569 1.00 0.00 C ATOM 243 CZ3 TRP A 45 3.026 13.566 0.752 1.00 0.00 C ATOM 244 CH2 TRP A 45 3.133 14.796 1.429 1.00 0.00 C ATOM 0 H TRP A 45 -0.510 8.183 2.832 1.00 0.00 H new ATOM 0 HA TRP A 45 1.791 9.549 3.422 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.082 10.296 1.825 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -1.114 10.448 3.098 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -0.889 12.514 4.773 1.00 0.00 H new ATOM 0 HE1 TRP A 45 0.436 14.718 4.744 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.074 11.631 0.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 2.430 15.974 3.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.631 13.382 -0.124 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.818 15.552 1.073 1.00 0.00 H new ATOM 255 N SER A 46 -0.243 9.714 5.990 1.00 0.00 N ATOM 256 CA SER A 46 -0.421 10.204 7.373 1.00 0.00 C ATOM 257 C SER A 46 0.605 9.613 8.337 1.00 0.00 C ATOM 258 O SER A 46 1.174 10.301 9.188 1.00 0.00 O ATOM 259 CB SER A 46 -1.825 9.800 7.844 1.00 0.00 C ATOM 260 OG SER A 46 -1.986 9.904 9.248 1.00 0.00 O ATOM 0 H SER A 46 -0.988 9.089 5.682 1.00 0.00 H new ATOM 0 HA SER A 46 -0.286 11.286 7.370 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.564 10.431 7.351 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.025 8.774 7.535 1.00 0.00 H new ATOM 0 HG SER A 46 -2.896 9.637 9.494 1.00 0.00 H new ATOM 266 N LEU A 47 0.782 8.305 8.216 1.00 0.00 N ATOM 267 CA LEU A 47 1.547 7.414 9.057 1.00 0.00 C ATOM 268 C LEU A 47 3.064 7.555 8.858 1.00 0.00 C ATOM 269 O LEU A 47 3.849 7.385 9.786 1.00 0.00 O ATOM 270 CB LEU A 47 0.984 6.067 8.609 1.00 0.00 C ATOM 271 CG LEU A 47 1.172 4.899 9.568 1.00 0.00 C ATOM 272 CD1 LEU A 47 0.057 3.931 9.204 1.00 0.00 C ATOM 273 CD2 LEU A 47 2.529 4.244 9.348 1.00 0.00 C ATOM 0 H LEU A 47 0.346 7.797 7.446 1.00 0.00 H new ATOM 0 HA LEU A 47 1.452 7.599 10.127 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.083 6.188 8.424 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.445 5.804 7.657 1.00 0.00 H new ATOM 0 HG LEU A 47 1.136 5.208 10.613 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.113 3.053 9.847 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.908 4.420 9.340 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.165 3.626 8.163 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.648 3.411 10.041 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.594 3.876 8.324 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.318 4.975 9.521 1.00 0.00 H new ATOM 285 N GLY A 48 3.468 7.847 7.626 1.00 0.00 N ATOM 286 CA GLY A 48 4.853 8.117 7.241 1.00 0.00 C ATOM 287 C GLY A 48 5.523 6.921 6.576 1.00 0.00 C ATOM 288 O GLY A 48 6.081 7.068 5.486 1.00 0.00 O ATOM 0 H GLY A 48 2.820 7.905 6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.877 8.967 6.559 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.423 8.402 8.126 1.00 0.00 H new ATOM 292 N GLU A 49 5.441 5.731 7.180 1.00 0.00 N ATOM 293 CA GLU A 49 5.966 4.493 6.607 1.00 0.00 C ATOM 294 C GLU A 49 5.191 3.231 7.037 1.00 0.00 C ATOM 295 O GLU A 49 5.214 2.808 8.197 1.00 0.00 O ATOM 296 CB GLU A 49 7.467 4.445 6.921 1.00 0.00 C ATOM 297 CG GLU A 49 7.924 4.018 8.322 1.00 0.00 C ATOM 298 CD GLU A 49 9.220 4.709 8.786 1.00 0.00 C ATOM 299 OE1 GLU A 49 9.980 5.206 7.918 1.00 0.00 O ATOM 300 OE2 GLU A 49 9.437 4.732 10.022 1.00 0.00 O ATOM 0 H GLU A 49 5.002 5.602 8.092 1.00 0.00 H new ATOM 0 HA GLU A 49 5.822 4.496 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.931 3.768 6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.874 5.438 6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.130 4.237 9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.074 2.938 8.333 1.00 0.00 H new ATOM 307 N ALA A 50 4.541 2.578 6.070 1.00 0.00 N ATOM 308 CA ALA A 50 3.602 1.486 6.336 1.00 0.00 C ATOM 309 C ALA A 50 4.194 0.131 5.931 1.00 0.00 C ATOM 310 O ALA A 50 4.836 0.006 4.889 1.00 0.00 O ATOM 311 CB ALA A 50 2.287 1.767 5.605 1.00 0.00 C ATOM 0 H ALA A 50 4.652 2.792 5.079 1.00 0.00 H new ATOM 0 HA ALA A 50 3.407 1.433 7.407 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.583 0.958 5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.866 2.707 5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.474 1.837 4.533 1.00 0.00 H new ATOM 317 N ARG A 51 3.964 -0.912 6.737 1.00 0.00 N ATOM 318 CA ARG A 51 4.376 -2.300 6.448 1.00 0.00 C ATOM 319 C ARG A 51 3.285 -2.995 5.616 1.00 0.00 C ATOM 320 O ARG A 51 2.186 -2.464 5.495 1.00 0.00 O ATOM 321 CB ARG A 51 4.695 -3.061 7.757 1.00 0.00 C ATOM 322 CG ARG A 51 5.893 -2.539 8.585 1.00 0.00 C ATOM 323 CD ARG A 51 5.646 -1.252 9.400 1.00 0.00 C ATOM 324 NE ARG A 51 6.755 -0.989 10.345 1.00 0.00 N ATOM 325 CZ ARG A 51 7.374 0.161 10.570 1.00 0.00 C ATOM 326 NH1 ARG A 51 7.004 1.296 10.051 1.00 0.00 N ATOM 327 NH2 ARG A 51 8.432 0.201 11.320 1.00 0.00 N ATOM 0 H ARG A 51 3.477 -0.818 7.628 1.00 0.00 H new ATOM 0 HA ARG A 51 5.294 -2.296 5.860 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.808 -3.038 8.390 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.882 -4.105 7.507 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.204 -3.326 9.272 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.727 -2.361 7.906 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.536 -0.406 8.722 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.710 -1.343 9.951 1.00 0.00 H new ATOM 0 HE ARG A 51 7.082 -1.788 10.888 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.195 1.334 9.432 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.524 2.148 10.264 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.792 -0.656 11.740 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.904 1.089 11.489 1.00 0.00 H new ATOM 341 N VAL A 52 3.535 -4.165 5.019 1.00 0.00 N ATOM 342 CA VAL A 52 2.552 -4.775 4.087 1.00 0.00 C ATOM 343 C VAL A 52 1.207 -5.256 4.684 1.00 0.00 C ATOM 344 O VAL A 52 0.177 -5.187 4.016 1.00 0.00 O ATOM 345 CB VAL A 52 3.198 -5.793 3.135 1.00 0.00 C ATOM 346 CG1 VAL A 52 4.718 -5.898 3.291 1.00 0.00 C ATOM 347 CG2 VAL A 52 2.551 -7.163 3.179 1.00 0.00 C ATOM 0 H VAL A 52 4.388 -4.707 5.153 1.00 0.00 H new ATOM 0 HA VAL A 52 2.228 -3.922 3.491 1.00 0.00 H new ATOM 0 HB VAL A 52 3.006 -5.384 2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.106 -6.635 2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.172 -4.928 3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.959 -6.206 4.309 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.060 -7.828 2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.627 -7.569 4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.501 -7.079 2.900 1.00 0.00 H new ATOM 357 N ASP A 53 1.226 -5.752 5.912 1.00 0.00 N ATOM 358 CA ASP A 53 0.034 -6.007 6.754 1.00 0.00 C ATOM 359 C ASP A 53 -0.559 -4.698 7.278 1.00 0.00 C ATOM 360 O ASP A 53 -1.757 -4.616 7.520 1.00 0.00 O ATOM 361 CB ASP A 53 0.446 -7.050 7.807 1.00 0.00 C ATOM 362 CG ASP A 53 -0.259 -7.042 9.171 1.00 0.00 C ATOM 363 OD1 ASP A 53 -1.317 -7.694 9.317 1.00 0.00 O ATOM 364 OD2 ASP A 53 0.343 -6.535 10.136 1.00 0.00 O ATOM 0 H ASP A 53 2.097 -6.002 6.380 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.800 -6.433 6.196 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.303 -8.037 7.367 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.515 -6.933 7.987 1.00 0.00 H new ATOM 369 N GLU A 54 0.243 -3.631 7.316 1.00 0.00 N ATOM 370 CA GLU A 54 -0.214 -2.306 7.732 1.00 0.00 C ATOM 371 C GLU A 54 -1.074 -1.643 6.654 1.00 0.00 C ATOM 372 O GLU A 54 -2.221 -1.300 6.878 1.00 0.00 O ATOM 373 CB GLU A 54 1.012 -1.440 8.050 1.00 0.00 C ATOM 374 CG GLU A 54 0.917 -0.731 9.396 1.00 0.00 C ATOM 375 CD GLU A 54 -0.345 0.117 9.527 1.00 0.00 C ATOM 376 OE1 GLU A 54 -0.671 0.834 8.570 1.00 0.00 O ATOM 377 OE2 GLU A 54 -0.976 0.000 10.616 1.00 0.00 O ATOM 0 H GLU A 54 1.229 -3.663 7.058 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.838 -2.410 8.620 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.904 -2.067 8.040 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.136 -0.696 7.263 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.936 -1.472 10.195 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.792 -0.096 9.530 1.00 0.00 H new ATOM 384 N ILE A 55 -0.571 -1.551 5.424 1.00 0.00 N ATOM 385 CA ILE A 55 -1.310 -0.973 4.286 1.00 0.00 C ATOM 386 C ILE A 55 -2.675 -1.632 4.078 1.00 0.00 C ATOM 387 O ILE A 55 -3.670 -0.933 3.906 1.00 0.00 O ATOM 388 CB ILE A 55 -0.485 -1.036 2.989 1.00 0.00 C ATOM 389 CG1 ILE A 55 -0.032 -2.476 2.708 1.00 0.00 C ATOM 390 CG2 ILE A 55 0.728 -0.121 3.130 1.00 0.00 C ATOM 391 CD1 ILE A 55 1.084 -2.631 1.698 1.00 0.00 C ATOM 0 H ILE A 55 0.365 -1.875 5.180 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.486 0.073 4.537 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.101 -0.706 2.152 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.289 -2.926 3.648 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.893 -3.046 2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.320 -0.158 2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.394 0.902 3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.338 -0.452 3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.322 -3.688 1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.767 -2.220 0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.968 -2.097 2.047 1.00 0.00 H new ATOM 403 N TYR A 56 -2.742 -2.969 4.131 1.00 0.00 N ATOM 404 CA TYR A 56 -3.986 -3.726 4.062 1.00 0.00 C ATOM 405 C TYR A 56 -4.972 -3.355 5.156 1.00 0.00 C ATOM 406 O TYR A 56 -6.169 -3.274 4.914 1.00 0.00 O ATOM 407 CB TYR A 56 -3.632 -5.195 4.193 1.00 0.00 C ATOM 408 CG TYR A 56 -4.735 -6.121 3.744 1.00 0.00 C ATOM 409 CD1 TYR A 56 -4.900 -6.337 2.370 1.00 0.00 C ATOM 410 CD2 TYR A 56 -5.511 -6.831 4.677 1.00 0.00 C ATOM 411 CE1 TYR A 56 -5.752 -7.356 1.928 1.00 0.00 C ATOM 412 CE2 TYR A 56 -6.408 -7.832 4.231 1.00 0.00 C ATOM 413 CZ TYR A 56 -6.508 -8.119 2.849 1.00 0.00 C ATOM 414 OH TYR A 56 -7.273 -9.149 2.388 1.00 0.00 O ATOM 0 H TYR A 56 -1.915 -3.559 4.225 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.472 -3.498 3.113 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -2.736 -5.399 3.607 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.388 -5.411 5.233 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.373 -5.721 1.656 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.423 -6.614 5.731 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.833 -7.562 0.871 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -7.013 -8.374 4.943 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.732 -9.578 3.140 1.00 0.00 H new ATOM 424 N ALA A 57 -4.449 -3.059 6.339 1.00 0.00 N ATOM 425 CA ALA A 57 -5.236 -2.580 7.465 1.00 0.00 C ATOM 426 C ALA A 57 -6.076 -1.328 7.159 1.00 0.00 C ATOM 427 O ALA A 57 -7.057 -1.084 7.861 1.00 0.00 O ATOM 428 CB ALA A 57 -4.288 -2.308 8.628 1.00 0.00 C ATOM 0 H ALA A 57 -3.454 -3.146 6.545 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.959 -3.357 7.711 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.857 -1.947 9.485 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.770 -3.228 8.898 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.558 -1.554 8.334 1.00 0.00 H new ATOM 434 N GLN A 58 -5.728 -0.517 6.143 1.00 0.00 N ATOM 435 CA GLN A 58 -6.539 0.642 5.772 1.00 0.00 C ATOM 436 C GLN A 58 -7.505 0.380 4.588 1.00 0.00 C ATOM 437 O GLN A 58 -8.201 1.303 4.160 1.00 0.00 O ATOM 438 CB GLN A 58 -5.604 1.830 5.518 1.00 0.00 C ATOM 439 CG GLN A 58 -5.104 2.515 6.799 1.00 0.00 C ATOM 440 CD GLN A 58 -3.596 2.564 6.889 1.00 0.00 C ATOM 441 OE1 GLN A 58 -2.950 3.571 6.623 1.00 0.00 O ATOM 442 NE2 GLN A 58 -2.997 1.457 7.262 1.00 0.00 N ATOM 0 H GLN A 58 -4.894 -0.647 5.571 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.205 0.872 6.604 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.744 1.486 4.942 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.125 2.565 4.905 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.499 3.530 6.840 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.498 1.985 7.666 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.549 0.627 7.480 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.980 1.427 7.334 1.00 0.00 H new ATOM 451 N ILE A 59 -7.568 -0.855 4.074 1.00 0.00 N ATOM 452 CA ILE A 59 -8.368 -1.299 2.922 1.00 0.00 C ATOM 453 C ILE A 59 -9.613 -2.074 3.419 1.00 0.00 C ATOM 454 O ILE A 59 -9.483 -3.232 3.816 1.00 0.00 O ATOM 455 CB ILE A 59 -7.464 -2.162 2.018 1.00 0.00 C ATOM 456 CG1 ILE A 59 -6.248 -1.320 1.575 1.00 0.00 C ATOM 457 CG2 ILE A 59 -8.198 -2.720 0.790 1.00 0.00 C ATOM 458 CD1 ILE A 59 -5.287 -2.094 0.688 1.00 0.00 C ATOM 0 H ILE A 59 -7.028 -1.621 4.476 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.733 -0.451 2.343 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.142 -3.025 2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.599 -0.438 1.040 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.716 -0.967 2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.508 -3.318 0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.031 -3.343 1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.577 -1.895 0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.452 -1.451 0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.911 -2.962 1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.808 -2.425 -0.211 1.00 0.00 H new ATOM 470 N PRO A 60 -10.821 -1.469 3.458 1.00 0.00 N ATOM 471 CA PRO A 60 -12.014 -2.073 4.066 1.00 0.00 C ATOM 472 C PRO A 60 -12.756 -3.086 3.163 1.00 0.00 C ATOM 473 O PRO A 60 -12.610 -3.084 1.940 1.00 0.00 O ATOM 474 CB PRO A 60 -12.923 -0.878 4.388 1.00 0.00 C ATOM 475 CG PRO A 60 -12.606 0.102 3.259 1.00 0.00 C ATOM 476 CD PRO A 60 -11.104 -0.096 3.058 1.00 0.00 C ATOM 0 HA PRO A 60 -11.727 -2.663 4.936 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.976 -1.161 4.395 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.701 -0.453 5.367 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.170 -0.126 2.354 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -12.846 1.129 3.534 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.824 0.073 2.018 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.533 0.611 3.660 1.00 0.00 H new ATOM 484 N GLN A 61 -13.677 -3.864 3.755 1.00 0.00 N ATOM 485 CA GLN A 61 -14.592 -4.798 3.066 1.00 0.00 C ATOM 486 C GLN A 61 -15.611 -4.109 2.116 1.00 0.00 C ATOM 487 O GLN A 61 -16.525 -4.744 1.594 1.00 0.00 O ATOM 488 CB GLN A 61 -15.261 -5.716 4.115 1.00 0.00 C ATOM 489 CG GLN A 61 -15.847 -6.984 3.453 1.00 0.00 C ATOM 490 CD GLN A 61 -15.905 -8.226 4.335 1.00 0.00 C ATOM 491 OE1 GLN A 61 -16.912 -8.912 4.436 1.00 0.00 O ATOM 492 NE2 GLN A 61 -14.808 -8.631 4.939 1.00 0.00 N ATOM 0 H GLN A 61 -13.812 -3.862 4.766 1.00 0.00 H new ATOM 0 HA GLN A 61 -13.996 -5.410 2.389 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -14.530 -6.002 4.871 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.053 -5.170 4.627 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -16.856 -6.758 3.109 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -15.254 -7.217 2.569 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -13.954 -8.077 4.871 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -14.812 -9.499 5.475 1.00 0.00 H new ATOM 501 N GLU A 62 -15.507 -2.793 1.885 1.00 0.00 N ATOM 502 CA GLU A 62 -16.285 -2.040 0.887 1.00 0.00 C ATOM 503 C GLU A 62 -15.793 -2.257 -0.562 1.00 0.00 C ATOM 504 O GLU A 62 -16.529 -1.991 -1.513 1.00 0.00 O ATOM 505 CB GLU A 62 -16.243 -0.534 1.212 1.00 0.00 C ATOM 506 CG GLU A 62 -16.843 -0.206 2.590 1.00 0.00 C ATOM 507 CD GLU A 62 -16.893 1.302 2.879 1.00 0.00 C ATOM 508 OE1 GLU A 62 -17.349 2.083 2.011 1.00 0.00 O ATOM 509 OE2 GLU A 62 -16.488 1.723 3.989 1.00 0.00 O ATOM 0 H GLU A 62 -14.858 -2.202 2.404 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.305 -2.420 0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.210 -0.188 1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.788 0.014 0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.852 -0.615 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.254 -0.699 3.363 1.00 0.00 H new ATOM 516 N LEU A 63 -14.542 -2.702 -0.717 1.00 0.00 N ATOM 517 CA LEU A 63 -13.846 -2.870 -2.011 1.00 0.00 C ATOM 518 C LEU A 63 -13.879 -4.304 -2.546 1.00 0.00 C ATOM 519 O LEU A 63 -13.958 -4.534 -3.753 1.00 0.00 O ATOM 520 CB LEU A 63 -12.390 -2.411 -1.825 1.00 0.00 C ATOM 521 CG LEU A 63 -12.243 -0.979 -1.289 1.00 0.00 C ATOM 522 CD1 LEU A 63 -10.769 -0.652 -1.147 1.00 0.00 C ATOM 523 CD2 LEU A 63 -12.912 0.008 -2.226 1.00 0.00 C ATOM 0 H LEU A 63 -13.960 -2.966 0.078 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.368 -2.267 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.890 -3.096 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.873 -2.483 -2.782 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.728 -0.906 -0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.657 0.363 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.306 -1.353 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.283 -0.731 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.799 1.018 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.447 -0.052 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -13.972 -0.232 -2.311 1.00 0.00 H new ATOM 535 N GLU A 64 -13.843 -5.253 -1.604 1.00 0.00 N ATOM 536 CA GLU A 64 -14.020 -6.714 -1.771 1.00 0.00 C ATOM 537 C GLU A 64 -12.755 -7.456 -2.268 1.00 0.00 C ATOM 538 O GLU A 64 -12.830 -8.547 -2.836 1.00 0.00 O ATOM 539 CB GLU A 64 -15.264 -7.046 -2.620 1.00 0.00 C ATOM 540 CG GLU A 64 -16.541 -6.370 -2.101 1.00 0.00 C ATOM 541 CD GLU A 64 -17.728 -6.650 -3.021 1.00 0.00 C ATOM 542 OE1 GLU A 64 -17.727 -6.118 -4.155 1.00 0.00 O ATOM 543 OE2 GLU A 64 -18.659 -7.348 -2.541 1.00 0.00 O ATOM 0 H GLU A 64 -13.677 -5.009 -0.628 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.192 -7.101 -0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.088 -6.736 -3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.411 -8.126 -2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.763 -6.730 -1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -16.381 -5.294 -2.026 1.00 0.00 H new ATOM 550 N TRP A 65 -11.583 -6.859 -2.058 1.00 0.00 N ATOM 551 CA TRP A 65 -10.280 -7.357 -2.513 1.00 0.00 C ATOM 552 C TRP A 65 -9.593 -8.316 -1.529 1.00 0.00 C ATOM 553 O TRP A 65 -9.910 -8.320 -0.343 1.00 0.00 O ATOM 554 CB TRP A 65 -9.405 -6.127 -2.749 1.00 0.00 C ATOM 555 CG TRP A 65 -9.906 -5.129 -3.749 1.00 0.00 C ATOM 556 CD1 TRP A 65 -10.938 -5.278 -4.612 1.00 0.00 C ATOM 557 CD2 TRP A 65 -9.402 -3.782 -3.975 1.00 0.00 C ATOM 558 NE1 TRP A 65 -11.133 -4.106 -5.315 1.00 0.00 N ATOM 559 CE2 TRP A 65 -10.209 -3.146 -4.965 1.00 0.00 C ATOM 560 CE3 TRP A 65 -8.336 -3.039 -3.432 1.00 0.00 C ATOM 561 CZ2 TRP A 65 -9.992 -1.824 -5.374 1.00 0.00 C ATOM 562 CZ3 TRP A 65 -8.094 -1.721 -3.852 1.00 0.00 C ATOM 563 CH2 TRP A 65 -8.923 -1.106 -4.812 1.00 0.00 C ATOM 0 H TRP A 65 -11.509 -5.980 -1.546 1.00 0.00 H new ATOM 0 HA TRP A 65 -10.430 -7.948 -3.417 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.271 -5.616 -1.796 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.420 -6.466 -3.070 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -11.521 -6.179 -4.733 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -11.869 -3.968 -6.007 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -7.698 -3.487 -2.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.636 -1.364 -6.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -7.263 -1.172 -3.435 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.737 -0.086 -5.115 1.00 0.00 H new ATOM 574 N SER A 66 -8.585 -9.061 -2.008 1.00 0.00 N ATOM 575 CA SER A 66 -7.727 -9.957 -1.209 1.00 0.00 C ATOM 576 C SER A 66 -6.309 -9.396 -1.030 1.00 0.00 C ATOM 577 O SER A 66 -5.895 -8.469 -1.730 1.00 0.00 O ATOM 578 CB SER A 66 -7.568 -11.307 -1.918 1.00 0.00 C ATOM 579 OG SER A 66 -8.773 -12.025 -2.000 1.00 0.00 O ATOM 0 H SER A 66 -8.334 -9.058 -2.997 1.00 0.00 H new ATOM 0 HA SER A 66 -8.214 -10.058 -0.239 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.180 -11.141 -2.923 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.829 -11.906 -1.387 1.00 0.00 H new ATOM 0 HG SER A 66 -8.616 -12.875 -2.461 1.00 0.00 H new ATOM 585 N LEU A 67 -5.486 -10.011 -0.166 1.00 0.00 N ATOM 586 CA LEU A 67 -4.074 -9.645 0.004 1.00 0.00 C ATOM 587 C LEU A 67 -3.294 -9.739 -1.328 1.00 0.00 C ATOM 588 O LEU A 67 -2.475 -8.869 -1.640 1.00 0.00 O ATOM 589 CB LEU A 67 -3.495 -10.486 1.169 1.00 0.00 C ATOM 590 CG LEU A 67 -2.353 -9.853 1.993 1.00 0.00 C ATOM 591 CD1 LEU A 67 -1.289 -9.282 1.080 1.00 0.00 C ATOM 592 CD2 LEU A 67 -2.764 -8.653 2.848 1.00 0.00 C ATOM 0 H LEU A 67 -5.784 -10.779 0.436 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.971 -8.596 0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.311 -10.727 1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.134 -11.429 0.759 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.019 -10.676 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.493 -8.841 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.877 -10.078 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.730 -8.516 0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.896 -8.277 3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.159 -7.866 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.531 -8.959 3.560 1.00 0.00 H new ATOM 604 N ALA A 68 -3.624 -10.709 -2.188 1.00 0.00 N ATOM 605 CA ALA A 68 -3.072 -10.788 -3.543 1.00 0.00 C ATOM 606 C ALA A 68 -3.302 -9.478 -4.327 1.00 0.00 C ATOM 607 O ALA A 68 -2.361 -8.953 -4.927 1.00 0.00 O ATOM 608 CB ALA A 68 -3.707 -11.991 -4.253 1.00 0.00 C ATOM 0 H ALA A 68 -4.279 -11.458 -1.964 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.992 -10.924 -3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.309 -12.068 -5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.476 -12.902 -3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.788 -11.858 -4.297 1.00 0.00 H new ATOM 614 N THR A 69 -4.506 -8.892 -4.232 1.00 0.00 N ATOM 615 CA THR A 69 -4.861 -7.609 -4.849 1.00 0.00 C ATOM 616 C THR A 69 -3.973 -6.464 -4.401 1.00 0.00 C ATOM 617 O THR A 69 -3.375 -5.824 -5.261 1.00 0.00 O ATOM 618 CB THR A 69 -6.319 -7.210 -4.587 1.00 0.00 C ATOM 619 OG1 THR A 69 -7.192 -8.294 -4.848 1.00 0.00 O ATOM 620 CG2 THR A 69 -6.717 -5.989 -5.429 1.00 0.00 C ATOM 0 H THR A 69 -5.277 -9.309 -3.711 1.00 0.00 H new ATOM 0 HA THR A 69 -4.713 -7.778 -5.916 1.00 0.00 H new ATOM 0 HB THR A 69 -6.406 -6.941 -3.534 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.116 -8.019 -4.673 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.755 -5.728 -5.223 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.074 -5.146 -5.175 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.605 -6.225 -6.487 1.00 0.00 H new ATOM 628 N VAL A 70 -3.819 -6.175 -3.096 1.00 0.00 N ATOM 629 CA VAL A 70 -2.992 -5.039 -2.699 1.00 0.00 C ATOM 630 C VAL A 70 -1.553 -5.117 -3.219 1.00 0.00 C ATOM 631 O VAL A 70 -1.106 -4.141 -3.798 1.00 0.00 O ATOM 632 CB VAL A 70 -3.050 -4.778 -1.183 1.00 0.00 C ATOM 633 CG1 VAL A 70 -2.387 -5.864 -0.338 1.00 0.00 C ATOM 634 CG2 VAL A 70 -2.324 -3.479 -0.881 1.00 0.00 C ATOM 0 H VAL A 70 -4.243 -6.696 -2.328 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.433 -4.172 -3.190 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.108 -4.750 -0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.471 -5.605 0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.882 -6.818 -0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.334 -5.944 -0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.359 -3.284 0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.285 -3.560 -1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.806 -2.660 -1.415 1.00 0.00 H new ATOM 644 N LYS A 71 -0.869 -6.265 -3.153 1.00 0.00 N ATOM 645 CA LYS A 71 0.440 -6.494 -3.784 1.00 0.00 C ATOM 646 C LYS A 71 0.509 -6.033 -5.240 1.00 0.00 C ATOM 647 O LYS A 71 1.355 -5.194 -5.572 1.00 0.00 O ATOM 648 CB LYS A 71 0.776 -8.003 -3.721 1.00 0.00 C ATOM 649 CG LYS A 71 1.685 -8.334 -2.549 1.00 0.00 C ATOM 650 CD LYS A 71 0.950 -8.389 -1.224 1.00 0.00 C ATOM 651 CE LYS A 71 1.450 -7.368 -0.233 1.00 0.00 C ATOM 652 NZ LYS A 71 1.551 -5.974 -0.747 1.00 0.00 N ATOM 0 H LYS A 71 -1.216 -7.080 -2.648 1.00 0.00 H new ATOM 0 HA LYS A 71 1.163 -5.897 -3.228 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.147 -8.577 -3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.257 -8.307 -4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.167 -9.295 -2.731 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.476 -7.587 -2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.114 -8.229 -1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.057 -9.386 -0.796 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.787 -7.371 0.632 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.434 -7.680 0.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.704 -5.321 0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.349 -5.905 -1.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.670 -5.721 -1.238 1.00 0.00 H new ATOM 666 N THR A 72 -0.393 -6.545 -6.084 1.00 0.00 N ATOM 667 CA THR A 72 -0.432 -6.129 -7.509 1.00 0.00 C ATOM 668 C THR A 72 -0.764 -4.647 -7.702 1.00 0.00 C ATOM 669 O THR A 72 -0.183 -4.001 -8.572 1.00 0.00 O ATOM 670 CB THR A 72 -1.314 -7.036 -8.375 1.00 0.00 C ATOM 671 OG1 THR A 72 -1.262 -6.682 -9.743 1.00 0.00 O ATOM 672 CG2 THR A 72 -2.780 -7.048 -7.980 1.00 0.00 C ATOM 0 H THR A 72 -1.097 -7.235 -5.822 1.00 0.00 H new ATOM 0 HA THR A 72 0.589 -6.257 -7.867 1.00 0.00 H new ATOM 0 HB THR A 72 -0.894 -8.027 -8.206 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.836 -7.285 -10.259 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.330 -7.715 -8.644 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.877 -7.398 -6.952 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.187 -6.040 -8.060 1.00 0.00 H new ATOM 680 N LEU A 73 -1.633 -4.066 -6.871 1.00 0.00 N ATOM 681 CA LEU A 73 -2.061 -2.686 -6.998 1.00 0.00 C ATOM 682 C LEU A 73 -0.929 -1.734 -6.579 1.00 0.00 C ATOM 683 O LEU A 73 -0.587 -0.818 -7.328 1.00 0.00 O ATOM 684 CB LEU A 73 -3.318 -2.565 -6.121 1.00 0.00 C ATOM 685 CG LEU A 73 -4.325 -1.514 -6.583 1.00 0.00 C ATOM 686 CD1 LEU A 73 -5.380 -1.415 -5.491 1.00 0.00 C ATOM 687 CD2 LEU A 73 -3.666 -0.167 -6.811 1.00 0.00 C ATOM 0 H LEU A 73 -2.060 -4.554 -6.084 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.297 -2.406 -8.025 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.815 -3.534 -6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.011 -2.330 -5.102 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.764 -1.805 -7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.127 -0.673 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.861 -2.384 -5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.908 -1.116 -4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.415 0.554 -7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.213 0.178 -5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.896 -0.264 -7.576 1.00 0.00 H new ATOM 699 N LEU A 74 -0.260 -2.003 -5.454 1.00 0.00 N ATOM 700 CA LEU A 74 0.937 -1.260 -5.034 1.00 0.00 C ATOM 701 C LEU A 74 1.945 -1.161 -6.145 1.00 0.00 C ATOM 702 O LEU A 74 2.400 -0.079 -6.466 1.00 0.00 O ATOM 703 CB LEU A 74 1.654 -1.994 -3.909 1.00 0.00 C ATOM 704 CG LEU A 74 0.908 -1.930 -2.594 1.00 0.00 C ATOM 705 CD1 LEU A 74 1.723 -2.713 -1.580 1.00 0.00 C ATOM 706 CD2 LEU A 74 0.729 -0.496 -2.146 1.00 0.00 C ATOM 0 H LEU A 74 -0.532 -2.743 -4.806 1.00 0.00 H new ATOM 0 HA LEU A 74 0.587 -0.274 -4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.791 -3.037 -4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.648 -1.566 -3.778 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.090 -2.357 -2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.219 -2.692 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.825 -3.746 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.712 -2.264 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.190 -0.475 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.706 -0.030 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.162 0.052 -2.898 1.00 0.00 H new ATOM 718 N GLY A 75 2.189 -2.296 -6.769 1.00 0.00 N ATOM 719 CA GLY A 75 3.089 -2.432 -7.911 1.00 0.00 C ATOM 720 C GLY A 75 2.758 -1.422 -9.013 1.00 0.00 C ATOM 721 O GLY A 75 3.661 -0.833 -9.591 1.00 0.00 O ATOM 0 H GLY A 75 1.757 -3.178 -6.492 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.118 -2.289 -7.583 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.020 -3.444 -8.311 1.00 0.00 H new ATOM 725 N ARG A 76 1.473 -1.130 -9.228 1.00 0.00 N ATOM 726 CA ARG A 76 1.007 -0.146 -10.226 1.00 0.00 C ATOM 727 C ARG A 76 1.212 1.278 -9.725 1.00 0.00 C ATOM 728 O ARG A 76 1.574 2.144 -10.512 1.00 0.00 O ATOM 729 CB ARG A 76 -0.482 -0.344 -10.549 1.00 0.00 C ATOM 730 CG ARG A 76 -0.873 -1.704 -11.165 1.00 0.00 C ATOM 731 CD ARG A 76 -0.931 -1.693 -12.710 1.00 0.00 C ATOM 732 NE ARG A 76 -1.620 -2.893 -13.235 1.00 0.00 N ATOM 733 CZ ARG A 76 -1.665 -3.332 -14.483 1.00 0.00 C ATOM 734 NH1 ARG A 76 -1.041 -2.758 -15.469 1.00 0.00 N ATOM 735 NH2 ARG A 76 -2.324 -4.421 -14.761 1.00 0.00 N ATOM 0 H ARG A 76 0.713 -1.572 -8.711 1.00 0.00 H new ATOM 0 HA ARG A 76 1.597 -0.305 -11.129 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.052 -0.208 -9.630 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.791 0.444 -11.236 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.156 -2.459 -10.843 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.846 -2.003 -10.776 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.450 -0.796 -13.049 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.081 -1.648 -13.113 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.124 -3.453 -12.548 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.480 -1.923 -15.300 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.113 -3.142 -16.411 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.802 -4.931 -14.019 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.362 -4.763 -15.721 1.00 0.00 H new ATOM 749 N LEU A 77 1.034 1.512 -8.415 1.00 0.00 N ATOM 750 CA LEU A 77 1.347 2.809 -7.807 1.00 0.00 C ATOM 751 C LEU A 77 2.831 3.151 -7.948 1.00 0.00 C ATOM 752 O LEU A 77 3.205 4.240 -8.384 1.00 0.00 O ATOM 753 CB LEU A 77 1.017 2.778 -6.305 1.00 0.00 C ATOM 754 CG LEU A 77 -0.322 2.175 -5.910 1.00 0.00 C ATOM 755 CD1 LEU A 77 -0.464 2.311 -4.407 1.00 0.00 C ATOM 756 CD2 LEU A 77 -1.457 2.804 -6.691 1.00 0.00 C ATOM 0 H LEU A 77 0.675 0.818 -7.759 1.00 0.00 H new ATOM 0 HA LEU A 77 0.749 3.560 -8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.804 2.222 -5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.054 3.800 -5.928 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.366 1.116 -6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.417 1.886 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.351 1.779 -3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.428 3.365 -4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.402 2.353 -6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.486 3.875 -6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.302 2.637 -7.757 1.00 0.00 H new ATOM 768 N VAL A 78 3.654 2.193 -7.528 1.00 0.00 N ATOM 769 CA VAL A 78 5.124 2.354 -7.491 1.00 0.00 C ATOM 770 C VAL A 78 5.718 2.437 -8.909 1.00 0.00 C ATOM 771 O VAL A 78 6.561 3.289 -9.176 1.00 0.00 O ATOM 772 CB VAL A 78 5.891 1.441 -6.477 1.00 0.00 C ATOM 773 CG1 VAL A 78 5.076 0.570 -5.494 1.00 0.00 C ATOM 774 CG2 VAL A 78 6.898 0.475 -7.108 1.00 0.00 C ATOM 0 H VAL A 78 3.332 1.282 -7.202 1.00 0.00 H new ATOM 0 HA VAL A 78 5.304 3.328 -7.036 1.00 0.00 H new ATOM 0 HB VAL A 78 6.366 2.247 -5.918 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.757 -0.000 -4.863 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.454 1.211 -4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.442 -0.116 -6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.377 -0.113 -6.326 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.380 -0.192 -7.797 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.655 1.042 -7.651 1.00 0.00 H new ATOM 784 N LYS A 79 5.197 1.664 -9.880 1.00 0.00 N ATOM 785 CA LYS A 79 5.476 1.789 -11.325 1.00 0.00 C ATOM 786 C LYS A 79 5.037 3.100 -11.986 1.00 0.00 C ATOM 787 O LYS A 79 5.386 3.327 -13.145 1.00 0.00 O ATOM 788 CB LYS A 79 4.962 0.552 -12.090 1.00 0.00 C ATOM 789 CG LYS A 79 5.817 -0.715 -11.863 1.00 0.00 C ATOM 790 CD LYS A 79 7.327 -0.504 -11.975 1.00 0.00 C ATOM 791 CE LYS A 79 7.649 0.052 -13.359 1.00 0.00 C ATOM 792 NZ LYS A 79 7.866 -1.024 -14.356 1.00 0.00 N ATOM 0 H LYS A 79 4.546 0.907 -9.673 1.00 0.00 H new ATOM 0 HA LYS A 79 6.563 1.831 -11.394 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.936 0.347 -11.785 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.939 0.778 -13.156 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.593 -1.113 -10.873 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.516 -1.472 -12.587 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.669 0.185 -11.203 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.852 -1.446 -11.816 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.832 0.693 -13.690 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.541 0.676 -13.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.082 -0.601 -15.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.662 -1.622 -14.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.007 -1.605 -14.433 1.00 0.00 H new ATOM 806 N LYS A 80 4.256 3.911 -11.277 1.00 0.00 N ATOM 807 CA LYS A 80 3.640 5.163 -11.769 1.00 0.00 C ATOM 808 C LYS A 80 3.762 6.379 -10.833 1.00 0.00 C ATOM 809 O LYS A 80 2.885 7.238 -10.799 1.00 0.00 O ATOM 810 CB LYS A 80 2.193 4.874 -12.202 1.00 0.00 C ATOM 811 CG LYS A 80 1.890 5.622 -13.511 1.00 0.00 C ATOM 812 CD LYS A 80 0.439 5.475 -13.979 1.00 0.00 C ATOM 813 CE LYS A 80 -0.483 6.371 -13.149 1.00 0.00 C ATOM 814 NZ LYS A 80 -1.777 6.599 -13.833 1.00 0.00 N ATOM 0 H LYS A 80 4.019 3.716 -10.304 1.00 0.00 H new ATOM 0 HA LYS A 80 4.223 5.483 -12.632 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.051 3.802 -12.342 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.499 5.188 -11.422 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.114 6.680 -13.375 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.554 5.253 -14.293 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.362 5.740 -15.033 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.124 4.435 -13.888 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.660 5.911 -12.177 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.006 7.328 -12.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.271 7.396 -13.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.606 6.818 -14.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.363 5.743 -13.761 1.00 0.00 H new ATOM 828 N GLU A 81 4.853 6.428 -10.068 1.00 0.00 N ATOM 829 CA GLU A 81 5.315 7.593 -9.283 1.00 0.00 C ATOM 830 C GLU A 81 4.313 8.117 -8.217 1.00 0.00 C ATOM 831 O GLU A 81 4.403 9.253 -7.753 1.00 0.00 O ATOM 832 CB GLU A 81 5.858 8.670 -10.257 1.00 0.00 C ATOM 833 CG GLU A 81 7.041 8.130 -11.090 1.00 0.00 C ATOM 834 CD GLU A 81 7.486 9.074 -12.215 1.00 0.00 C ATOM 835 OE1 GLU A 81 7.864 10.230 -11.912 1.00 0.00 O ATOM 836 OE2 GLU A 81 7.530 8.612 -13.383 1.00 0.00 O ATOM 0 H GLU A 81 5.473 5.624 -9.968 1.00 0.00 H new ATOM 0 HA GLU A 81 6.134 7.263 -8.644 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.060 8.995 -10.924 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.178 9.546 -9.692 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.886 7.946 -10.427 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.760 7.170 -11.523 1.00 0.00 H new ATOM 843 N MET A 82 3.374 7.264 -7.791 1.00 0.00 N ATOM 844 CA MET A 82 2.410 7.568 -6.720 1.00 0.00 C ATOM 845 C MET A 82 3.034 7.425 -5.316 1.00 0.00 C ATOM 846 O MET A 82 2.717 8.199 -4.418 1.00 0.00 O ATOM 847 CB MET A 82 1.233 6.590 -6.806 1.00 0.00 C ATOM 848 CG MET A 82 0.554 6.477 -8.174 1.00 0.00 C ATOM 849 SD MET A 82 -0.584 7.811 -8.640 1.00 0.00 S ATOM 850 CE MET A 82 -2.100 7.246 -7.827 1.00 0.00 C ATOM 0 H MET A 82 3.259 6.330 -8.184 1.00 0.00 H new ATOM 0 HA MET A 82 2.089 8.600 -6.859 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.586 5.601 -6.515 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.483 6.889 -6.074 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.332 6.414 -8.935 1.00 0.00 H new ATOM 0 HG3 MET A 82 0.004 5.537 -8.203 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.818 8.065 -7.785 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.528 6.417 -8.391 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.868 6.915 -6.815 1.00 0.00 H new ATOM 860 N LEU A 83 3.882 6.404 -5.117 1.00 0.00 N ATOM 861 CA LEU A 83 4.735 6.217 -3.921 1.00 0.00 C ATOM 862 C LEU A 83 5.946 5.309 -4.223 1.00 0.00 C ATOM 863 O LEU A 83 6.052 4.791 -5.332 1.00 0.00 O ATOM 864 CB LEU A 83 3.916 5.764 -2.679 1.00 0.00 C ATOM 865 CG LEU A 83 3.733 4.254 -2.428 1.00 0.00 C ATOM 866 CD1 LEU A 83 2.792 4.026 -1.245 1.00 0.00 C ATOM 867 CD2 LEU A 83 3.143 3.540 -3.632 1.00 0.00 C ATOM 0 H LEU A 83 4.001 5.659 -5.803 1.00 0.00 H new ATOM 0 HA LEU A 83 5.146 7.191 -3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.390 6.192 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.924 6.210 -2.756 1.00 0.00 H new ATOM 0 HG LEU A 83 4.725 3.850 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.671 2.956 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.212 4.488 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.821 4.472 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.033 2.479 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.167 3.965 -3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.806 3.663 -4.489 1.00 0.00 H new ATOM 879 N SER A 84 6.815 5.071 -3.237 1.00 0.00 N ATOM 880 CA SER A 84 7.948 4.135 -3.339 1.00 0.00 C ATOM 881 C SER A 84 8.002 3.180 -2.148 1.00 0.00 C ATOM 882 O SER A 84 7.206 3.251 -1.208 1.00 0.00 O ATOM 883 CB SER A 84 9.297 4.855 -3.464 1.00 0.00 C ATOM 884 OG SER A 84 9.509 5.362 -4.767 1.00 0.00 O ATOM 0 H SER A 84 6.754 5.529 -2.328 1.00 0.00 H new ATOM 0 HA SER A 84 7.775 3.565 -4.252 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.339 5.674 -2.745 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.101 4.165 -3.208 1.00 0.00 H new ATOM 0 HG SER A 84 10.377 5.814 -4.805 1.00 0.00 H new ATOM 890 N THR A 85 8.929 2.227 -2.204 1.00 0.00 N ATOM 891 CA THR A 85 9.068 1.188 -1.180 1.00 0.00 C ATOM 892 C THR A 85 10.522 0.750 -0.977 1.00 0.00 C ATOM 893 O THR A 85 11.309 0.723 -1.918 1.00 0.00 O ATOM 894 CB THR A 85 8.131 0.028 -1.562 1.00 0.00 C ATOM 895 OG1 THR A 85 8.193 -1.061 -0.680 1.00 0.00 O ATOM 896 CG2 THR A 85 8.353 -0.514 -2.972 1.00 0.00 C ATOM 0 H THR A 85 9.608 2.151 -2.961 1.00 0.00 H new ATOM 0 HA THR A 85 8.775 1.583 -0.207 1.00 0.00 H new ATOM 0 HB THR A 85 7.147 0.494 -1.505 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.201 -0.734 0.244 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.654 -1.328 -3.163 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.189 0.282 -3.698 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.374 -0.884 -3.063 1.00 0.00 H new ATOM 904 N GLU A 86 10.851 0.398 0.266 1.00 0.00 N ATOM 905 CA GLU A 86 12.104 -0.259 0.683 1.00 0.00 C ATOM 906 C GLU A 86 11.793 -1.540 1.500 1.00 0.00 C ATOM 907 O GLU A 86 10.628 -1.909 1.689 1.00 0.00 O ATOM 908 CB GLU A 86 13.036 0.692 1.473 1.00 0.00 C ATOM 909 CG GLU A 86 13.404 1.999 0.739 1.00 0.00 C ATOM 910 CD GLU A 86 14.712 2.635 1.254 1.00 0.00 C ATOM 911 OE1 GLU A 86 14.832 2.940 2.445 1.00 0.00 O ATOM 912 OE2 GLU A 86 15.673 2.807 0.441 1.00 0.00 O ATOM 0 H GLU A 86 10.225 0.569 1.053 1.00 0.00 H new ATOM 0 HA GLU A 86 12.642 -0.540 -0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.555 0.946 2.418 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.955 0.158 1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.502 1.795 -0.327 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.590 2.714 0.853 1.00 0.00 H new ATOM 919 N LYS A 87 12.825 -2.256 1.970 1.00 0.00 N ATOM 920 CA LYS A 87 12.734 -3.591 2.570 1.00 0.00 C ATOM 921 C LYS A 87 13.201 -3.659 4.033 1.00 0.00 C ATOM 922 O LYS A 87 14.292 -3.203 4.348 1.00 0.00 O ATOM 923 CB LYS A 87 13.602 -4.479 1.679 1.00 0.00 C ATOM 924 CG LYS A 87 13.213 -5.932 1.877 1.00 0.00 C ATOM 925 CD LYS A 87 14.002 -6.811 0.907 1.00 0.00 C ATOM 926 CE LYS A 87 13.138 -8.030 0.644 1.00 0.00 C ATOM 927 NZ LYS A 87 13.109 -8.926 1.818 1.00 0.00 N ATOM 0 H LYS A 87 13.782 -1.905 1.940 1.00 0.00 H new ATOM 0 HA LYS A 87 11.692 -3.909 2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.476 -4.197 0.634 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.655 -4.337 1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.414 -6.236 2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.143 -6.059 1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.214 -6.276 -0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.962 -7.099 1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.124 -7.714 0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.521 -8.571 -0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.596 -9.798 1.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.082 -9.163 2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.628 -8.449 2.607 1.00 0.00 H new ATOM 941 N GLU A 88 12.387 -4.261 4.903 1.00 0.00 N ATOM 942 CA GLU A 88 12.619 -4.379 6.362 1.00 0.00 C ATOM 943 C GLU A 88 11.826 -5.548 6.983 1.00 0.00 C ATOM 944 O GLU A 88 10.864 -6.005 6.383 1.00 0.00 O ATOM 945 CB GLU A 88 12.208 -3.059 7.039 1.00 0.00 C ATOM 946 CG GLU A 88 13.406 -2.337 7.654 1.00 0.00 C ATOM 947 CD GLU A 88 13.741 -2.806 9.079 1.00 0.00 C ATOM 948 OE1 GLU A 88 13.547 -4.001 9.395 1.00 0.00 O ATOM 949 OE2 GLU A 88 14.167 -1.978 9.913 1.00 0.00 O ATOM 0 H GLU A 88 11.514 -4.699 4.610 1.00 0.00 H new ATOM 0 HA GLU A 88 13.678 -4.582 6.523 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.729 -2.409 6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.470 -3.263 7.815 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.277 -2.488 7.016 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.205 -1.266 7.671 1.00 0.00 H new ATOM 956 N GLY A 89 12.153 -6.029 8.188 1.00 0.00 N ATOM 957 CA GLY A 89 11.365 -7.038 8.936 1.00 0.00 C ATOM 958 C GLY A 89 10.930 -8.286 8.138 1.00 0.00 C ATOM 959 O GLY A 89 9.817 -8.793 8.314 1.00 0.00 O ATOM 0 H GLY A 89 12.989 -5.727 8.688 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.953 -7.366 9.793 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.471 -6.553 9.329 1.00 0.00 H new ATOM 963 N ARG A 90 11.783 -8.749 7.204 1.00 0.00 N ATOM 964 CA ARG A 90 11.507 -9.784 6.175 1.00 0.00 C ATOM 965 C ARG A 90 10.189 -9.551 5.394 1.00 0.00 C ATOM 966 O ARG A 90 9.491 -10.481 4.991 1.00 0.00 O ATOM 967 CB ARG A 90 11.702 -11.194 6.777 1.00 0.00 C ATOM 968 CG ARG A 90 11.976 -12.256 5.698 1.00 0.00 C ATOM 969 CD ARG A 90 12.772 -13.454 6.230 1.00 0.00 C ATOM 970 NE ARG A 90 13.142 -14.350 5.121 1.00 0.00 N ATOM 971 CZ ARG A 90 13.981 -15.370 5.146 1.00 0.00 C ATOM 972 NH1 ARG A 90 14.631 -15.735 6.219 1.00 0.00 N ATOM 973 NH2 ARG A 90 14.244 -15.997 4.040 1.00 0.00 N ATOM 0 H ARG A 90 12.737 -8.395 7.139 1.00 0.00 H new ATOM 0 HA ARG A 90 12.247 -9.694 5.380 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.532 -11.174 7.483 1.00 0.00 H new ATOM 0 HB3 ARG A 90 10.811 -11.473 7.340 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.028 -12.608 5.292 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.525 -11.798 4.875 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.670 -13.106 6.741 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.178 -13.998 6.964 1.00 0.00 H new ATOM 0 HE ARG A 90 12.696 -14.160 4.224 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.502 -15.224 7.092 1.00 0.00 H new ATOM 0 HH12 ARG A 90 15.268 -16.531 6.183 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.805 -15.700 3.169 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.890 -16.787 4.043 1.00 0.00 H new ATOM 987 N LYS A 91 9.903 -8.269 5.167 1.00 0.00 N ATOM 988 CA LYS A 91 8.720 -7.605 4.600 1.00 0.00 C ATOM 989 C LYS A 91 9.156 -6.372 3.792 1.00 0.00 C ATOM 990 O LYS A 91 10.341 -6.072 3.627 1.00 0.00 O ATOM 991 CB LYS A 91 7.803 -7.156 5.753 1.00 0.00 C ATOM 992 CG LYS A 91 7.035 -8.327 6.362 1.00 0.00 C ATOM 993 CD LYS A 91 6.532 -7.917 7.748 1.00 0.00 C ATOM 994 CE LYS A 91 6.150 -9.107 8.644 1.00 0.00 C ATOM 995 NZ LYS A 91 7.278 -10.056 8.823 1.00 0.00 N ATOM 0 H LYS A 91 10.599 -7.565 5.413 1.00 0.00 H new ATOM 0 HA LYS A 91 8.190 -8.296 3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.402 -6.674 6.526 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.097 -6.411 5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.197 -8.603 5.722 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.679 -9.203 6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.304 -7.331 8.247 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.664 -7.267 7.632 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.829 -8.738 9.618 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.301 -9.632 8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.288 -10.402 9.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.162 -10.860 8.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.175 -9.572 8.617 1.00 0.00 H new ATOM 1009 N PHE A 92 8.157 -5.661 3.284 1.00 0.00 N ATOM 1010 CA PHE A 92 8.316 -4.337 2.685 1.00 0.00 C ATOM 1011 C PHE A 92 7.795 -3.230 3.600 1.00 0.00 C ATOM 1012 O PHE A 92 6.887 -3.442 4.411 1.00 0.00 O ATOM 1013 CB PHE A 92 7.543 -4.275 1.373 1.00 0.00 C ATOM 1014 CG PHE A 92 8.256 -5.036 0.304 1.00 0.00 C ATOM 1015 CD1 PHE A 92 9.279 -4.400 -0.409 1.00 0.00 C ATOM 1016 CD2 PHE A 92 7.963 -6.390 0.095 1.00 0.00 C ATOM 1017 CE1 PHE A 92 10.002 -5.110 -1.372 1.00 0.00 C ATOM 1018 CE2 PHE A 92 8.694 -7.110 -0.869 1.00 0.00 C ATOM 1019 CZ PHE A 92 9.709 -6.467 -1.611 1.00 0.00 C ATOM 0 H PHE A 92 7.193 -5.994 3.276 1.00 0.00 H new ATOM 0 HA PHE A 92 9.382 -4.181 2.520 1.00 0.00 H new ATOM 0 HB2 PHE A 92 6.544 -4.686 1.514 1.00 0.00 H new ATOM 0 HB3 PHE A 92 7.420 -3.236 1.066 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.509 -3.363 -0.215 1.00 0.00 H new ATOM 0 HD2 PHE A 92 7.186 -6.876 0.666 1.00 0.00 H new ATOM 0 HE1 PHE A 92 10.784 -4.619 -1.932 1.00 0.00 H new ATOM 0 HE2 PHE A 92 8.478 -8.154 -1.041 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.260 -7.015 -2.361 1.00 0.00 H new ATOM 1029 N VAL A 93 8.336 -2.038 3.368 1.00 0.00 N ATOM 1030 CA VAL A 93 7.874 -0.753 3.882 1.00 0.00 C ATOM 1031 C VAL A 93 7.546 0.118 2.674 1.00 0.00 C ATOM 1032 O VAL A 93 8.285 0.162 1.693 1.00 0.00 O ATOM 1033 CB VAL A 93 8.926 -0.073 4.775 1.00 0.00 C ATOM 1034 CG1 VAL A 93 8.531 1.373 5.115 1.00 0.00 C ATOM 1035 CG2 VAL A 93 9.083 -0.831 6.099 1.00 0.00 C ATOM 0 H VAL A 93 9.162 -1.937 2.778 1.00 0.00 H new ATOM 0 HA VAL A 93 6.997 -0.901 4.512 1.00 0.00 H new ATOM 0 HB VAL A 93 9.860 -0.078 4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.298 1.821 5.747 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.436 1.950 4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.578 1.375 5.644 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.832 -0.334 6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.129 -0.844 6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.400 -1.854 5.897 1.00 0.00 H new ATOM 1045 N TYR A 94 6.428 0.817 2.746 1.00 0.00 N ATOM 1046 CA TYR A 94 5.857 1.643 1.700 1.00 0.00 C ATOM 1047 C TYR A 94 5.823 3.096 2.208 1.00 0.00 C ATOM 1048 O TYR A 94 5.175 3.385 3.221 1.00 0.00 O ATOM 1049 CB TYR A 94 4.485 1.025 1.371 1.00 0.00 C ATOM 1050 CG TYR A 94 4.577 -0.383 0.784 1.00 0.00 C ATOM 1051 CD1 TYR A 94 4.819 -0.525 -0.596 1.00 0.00 C ATOM 1052 CD2 TYR A 94 4.455 -1.544 1.585 1.00 0.00 C ATOM 1053 CE1 TYR A 94 4.967 -1.805 -1.173 1.00 0.00 C ATOM 1054 CE2 TYR A 94 4.511 -2.820 0.994 1.00 0.00 C ATOM 1055 CZ TYR A 94 4.792 -2.957 -0.380 1.00 0.00 C ATOM 1056 OH TYR A 94 4.836 -4.199 -0.938 1.00 0.00 O ATOM 0 H TYR A 94 5.858 0.823 3.592 1.00 0.00 H new ATOM 0 HA TYR A 94 6.431 1.673 0.774 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.882 0.993 2.279 1.00 0.00 H new ATOM 0 HB3 TYR A 94 3.964 1.671 0.665 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.892 0.354 -1.219 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.319 -1.450 2.652 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.214 -1.901 -2.220 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.338 -3.699 1.597 1.00 0.00 H new ATOM 0 HH TYR A 94 4.697 -4.875 -0.243 1.00 0.00 H new ATOM 1066 N ARG A 95 6.573 3.989 1.537 1.00 0.00 N ATOM 1067 CA ARG A 95 6.762 5.416 1.897 1.00 0.00 C ATOM 1068 C ARG A 95 6.417 6.412 0.769 1.00 0.00 C ATOM 1069 O ARG A 95 6.678 6.132 -0.407 1.00 0.00 O ATOM 1070 CB ARG A 95 8.210 5.703 2.353 1.00 0.00 C ATOM 1071 CG ARG A 95 8.549 5.069 3.709 1.00 0.00 C ATOM 1072 CD ARG A 95 9.564 5.866 4.547 1.00 0.00 C ATOM 1073 NE ARG A 95 9.008 7.153 5.016 1.00 0.00 N ATOM 1074 CZ ARG A 95 9.554 7.979 5.890 1.00 0.00 C ATOM 1075 NH1 ARG A 95 10.479 7.612 6.731 1.00 0.00 N ATOM 1076 NH2 ARG A 95 9.160 9.220 5.930 1.00 0.00 N ATOM 0 H ARG A 95 7.087 3.731 0.694 1.00 0.00 H new ATOM 0 HA ARG A 95 6.057 5.573 2.713 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.903 5.329 1.600 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.359 6.781 2.415 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.630 4.957 4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.943 4.067 3.540 1.00 0.00 H new ATOM 0 HD2 ARG A 95 9.872 5.270 5.406 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.458 6.053 3.952 1.00 0.00 H new ATOM 0 HE ARG A 95 8.109 7.432 4.624 1.00 0.00 H new ATOM 0 HH11 ARG A 95 10.813 6.648 6.733 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.869 8.289 7.387 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.436 9.546 5.290 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.576 9.866 6.601 1.00 0.00 H new ATOM 1090 N PRO A 96 5.868 7.596 1.119 1.00 0.00 N ATOM 1091 CA PRO A 96 5.673 8.701 0.187 1.00 0.00 C ATOM 1092 C PRO A 96 7.007 9.363 -0.197 1.00 0.00 C ATOM 1093 O PRO A 96 8.024 9.221 0.486 1.00 0.00 O ATOM 1094 CB PRO A 96 4.744 9.681 0.913 1.00 0.00 C ATOM 1095 CG PRO A 96 5.145 9.513 2.375 1.00 0.00 C ATOM 1096 CD PRO A 96 5.494 8.027 2.465 1.00 0.00 C ATOM 0 HA PRO A 96 5.242 8.360 -0.754 1.00 0.00 H new ATOM 0 HB2 PRO A 96 4.890 10.705 0.570 1.00 0.00 H new ATOM 0 HB3 PRO A 96 3.694 9.437 0.752 1.00 0.00 H new ATOM 0 HG2 PRO A 96 5.995 10.144 2.636 1.00 0.00 H new ATOM 0 HG3 PRO A 96 4.331 9.779 3.050 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.314 7.865 3.164 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.644 7.452 2.832 1.00 0.00 H new ATOM 1104 N LEU A 97 6.947 10.096 -1.306 1.00 0.00 N ATOM 1105 CA LEU A 97 8.056 10.742 -1.999 1.00 0.00 C ATOM 1106 C LEU A 97 7.757 12.215 -2.346 1.00 0.00 C ATOM 1107 O LEU A 97 6.689 12.729 -2.004 1.00 0.00 O ATOM 1108 CB LEU A 97 8.543 9.824 -3.105 1.00 0.00 C ATOM 1109 CG LEU A 97 7.470 9.305 -4.045 1.00 0.00 C ATOM 1110 CD1 LEU A 97 7.083 10.392 -5.025 1.00 0.00 C ATOM 1111 CD2 LEU A 97 8.070 8.078 -4.675 1.00 0.00 C ATOM 0 H LEU A 97 6.058 10.265 -1.777 1.00 0.00 H new ATOM 0 HA LEU A 97 8.920 10.869 -1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.290 10.357 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.046 8.971 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 97 6.535 9.036 -3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.313 10.017 -5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.700 11.254 -4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.958 10.689 -5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.355 7.640 -5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.978 8.352 -5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.312 7.352 -3.899 1.00 0.00 H new ATOM 1123 N MET A 98 8.706 12.906 -2.984 1.00 0.00 N ATOM 1124 CA MET A 98 8.675 14.359 -3.185 1.00 0.00 C ATOM 1125 C MET A 98 9.146 14.792 -4.582 1.00 0.00 C ATOM 1126 O MET A 98 10.177 14.318 -5.065 1.00 0.00 O ATOM 1127 CB MET A 98 9.575 14.989 -2.104 1.00 0.00 C ATOM 1128 CG MET A 98 9.652 16.522 -2.174 1.00 0.00 C ATOM 1129 SD MET A 98 10.676 17.293 -0.883 1.00 0.00 S ATOM 1130 CE MET A 98 12.325 16.675 -1.327 1.00 0.00 C ATOM 0 H MET A 98 9.534 12.463 -3.383 1.00 0.00 H new ATOM 0 HA MET A 98 7.642 14.699 -3.105 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.204 14.698 -1.121 1.00 0.00 H new ATOM 0 HB3 MET A 98 10.581 14.580 -2.199 1.00 0.00 H new ATOM 0 HG2 MET A 98 10.045 16.808 -3.149 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.642 16.926 -2.107 1.00 0.00 H new ATOM 0 HE1 MET A 98 13.081 17.211 -0.753 1.00 0.00 H new ATOM 0 HE2 MET A 98 12.387 15.610 -1.103 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.498 16.833 -2.392 1.00 0.00 H new ATOM 1140 N GLU A 99 8.398 15.754 -5.134 1.00 0.00 N ATOM 1141 CA GLU A 99 8.649 16.574 -6.331 1.00 0.00 C ATOM 1142 C GLU A 99 8.154 17.997 -6.065 1.00 0.00 C ATOM 1143 O GLU A 99 8.883 18.936 -6.447 1.00 0.00 O ATOM 1144 CB GLU A 99 7.927 16.032 -7.576 1.00 0.00 C ATOM 1145 CG GLU A 99 8.683 14.916 -8.307 1.00 0.00 C ATOM 1146 CD GLU A 99 8.023 14.595 -9.659 1.00 0.00 C ATOM 1147 OE1 GLU A 99 6.794 14.353 -9.696 1.00 0.00 O ATOM 1148 OE2 GLU A 99 8.706 14.581 -10.708 1.00 0.00 O ATOM 0 H GLU A 99 7.506 16.006 -4.709 1.00 0.00 H new ATOM 0 HA GLU A 99 9.721 16.551 -6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.947 15.657 -7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.757 16.855 -8.270 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.718 15.218 -8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.704 14.020 -7.687 1.00 0.00 H new TER 1155 GLU A 99