USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 864 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 34 THR OG1 : rot 133:sc= 1.15 USER MOD Set 1.2: A 38 CYS SG : rot -23:sc= 1.72 USER MOD Set 1.3: A 41 CYS SG : rot 76:sc= 1.01 USER MOD Set 2.1: A 9 CYS SG : rot 82:sc= -2.18 USER MOD Set 2.2: A 14 THR OG1 : rot 105:sc= 0.285 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HE2:sc= 0.466 K(o=0.47,f=-2.3!) USER MOD Single : A 11 THR OG1 : rot 132:sc= 0.121 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -0.162 K(o=-0.16,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= -0.0434 (180deg=-0.0673) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -120:sc=0.000337 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.98! K(o=-2!,f=-0.085) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0733) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 80 MET CE :methyl -122:sc= -0.726 (180deg=-1.83) USER MOD Single : A 82 THR OG1 : rot 74:sc= 0.903 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0798 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 78:sc= 0.113 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 3 -9.715 6.798 11.512 1.00 0.00 N ATOM 29 CA GLU A 3 -8.290 6.745 11.073 1.00 0.00 C ATOM 30 C GLU A 3 -8.127 5.656 9.919 1.00 0.00 C ATOM 31 O GLU A 3 -9.031 4.868 9.673 1.00 0.00 O ATOM 32 CB GLU A 3 -7.225 6.556 12.227 1.00 0.00 C ATOM 33 CG GLU A 3 -7.163 5.299 13.107 1.00 0.00 C ATOM 34 CD GLU A 3 -5.959 5.147 14.124 1.00 0.00 C ATOM 35 OE1 GLU A 3 -4.858 4.670 13.861 1.00 0.00 O ATOM 36 OE2 GLU A 3 -6.124 5.843 15.307 1.00 0.00 O ATOM 0 HA GLU A 3 -8.058 7.737 10.685 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.244 6.658 11.763 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.347 7.402 12.903 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.089 5.250 13.680 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.150 4.432 12.446 1.00 0.00 H new ATOM 44 N GLY A 4 -6.981 5.713 9.210 1.00 0.00 N ATOM 45 CA GLY A 4 -6.475 4.522 8.451 1.00 0.00 C ATOM 46 C GLY A 4 -6.133 3.403 9.305 1.00 0.00 C ATOM 47 O GLY A 4 -6.098 3.570 10.531 1.00 0.00 O ATOM 0 H GLY A 4 -6.392 6.543 9.139 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.234 4.206 7.736 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.596 4.813 7.875 1.00 0.00 H new ATOM 51 N GLN A 5 -5.653 2.274 8.662 1.00 0.00 N ATOM 52 CA GLN A 5 -5.327 0.999 9.347 1.00 0.00 C ATOM 53 C GLN A 5 -4.388 0.235 8.315 1.00 0.00 C ATOM 54 O GLN A 5 -4.689 0.077 7.171 1.00 0.00 O ATOM 55 CB GLN A 5 -6.668 0.303 9.747 1.00 0.00 C ATOM 56 CG GLN A 5 -7.384 -0.564 8.697 1.00 0.00 C ATOM 57 CD GLN A 5 -8.549 -1.283 9.355 1.00 0.00 C ATOM 58 OE1 GLN A 5 -9.641 -0.790 9.534 1.00 0.00 O ATOM 59 NE2 GLN A 5 -8.310 -2.501 9.858 1.00 0.00 N ATOM 0 H GLN A 5 -5.488 2.243 7.656 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.788 1.072 10.292 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.470 -0.324 10.616 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.363 1.080 10.066 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.741 0.058 7.876 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.689 -1.287 8.270 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.399 -2.939 9.722 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.039 -2.990 10.377 1.00 0.00 H new ATOM 68 N VAL A 6 -3.362 -0.353 8.904 1.00 0.00 N ATOM 69 CA VAL A 6 -2.323 -1.227 8.388 1.00 0.00 C ATOM 70 C VAL A 6 -2.709 -2.715 8.685 1.00 0.00 C ATOM 71 O VAL A 6 -3.059 -3.066 9.798 1.00 0.00 O ATOM 72 CB VAL A 6 -0.923 -0.796 8.926 1.00 0.00 C ATOM 73 CG1 VAL A 6 0.234 -1.750 8.446 1.00 0.00 C ATOM 74 CG2 VAL A 6 -0.561 0.654 8.471 1.00 0.00 C ATOM 0 H VAL A 6 -3.219 -0.205 9.903 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.244 -1.139 7.304 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.003 -0.849 10.012 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.184 -1.402 8.851 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.040 -2.763 8.798 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.280 -1.747 7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.420 0.924 8.862 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.543 0.700 7.382 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.308 1.352 8.851 1.00 0.00 H new ATOM 84 N ILE A 7 -2.887 -3.453 7.574 1.00 0.00 N ATOM 85 CA ILE A 7 -3.545 -4.759 7.502 1.00 0.00 C ATOM 86 C ILE A 7 -2.629 -5.715 6.539 1.00 0.00 C ATOM 87 O ILE A 7 -2.538 -5.550 5.318 1.00 0.00 O ATOM 88 CB ILE A 7 -5.076 -4.707 7.152 1.00 0.00 C ATOM 89 CG1 ILE A 7 -5.960 -5.693 7.961 1.00 0.00 C ATOM 90 CG2 ILE A 7 -5.452 -4.507 5.702 1.00 0.00 C ATOM 91 CD1 ILE A 7 -5.611 -7.147 7.608 1.00 0.00 C ATOM 0 H ILE A 7 -2.558 -3.135 6.662 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.590 -5.204 8.496 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.360 -3.730 7.544 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.815 -5.528 9.029 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.012 -5.504 7.749 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.538 -4.491 5.607 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.043 -3.561 5.347 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.047 -5.324 5.105 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.242 -7.823 8.186 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.780 -7.314 6.544 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.564 -7.337 7.844 1.00 0.00 H new ATOM 103 N ALA A 8 -2.024 -6.760 7.241 1.00 0.00 N ATOM 104 CA ALA A 8 -1.364 -7.849 6.648 1.00 0.00 C ATOM 105 C ALA A 8 -2.190 -8.693 5.654 1.00 0.00 C ATOM 106 O ALA A 8 -3.364 -9.095 5.907 1.00 0.00 O ATOM 107 CB ALA A 8 -0.838 -8.737 7.756 1.00 0.00 C ATOM 0 H ALA A 8 -2.022 -6.802 8.260 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.573 -7.418 6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.320 -9.592 7.322 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -0.145 -8.171 8.378 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.670 -9.088 8.367 1.00 0.00 H new ATOM 113 N CYS A 9 -1.438 -9.130 4.645 1.00 0.00 N ATOM 114 CA CYS A 9 -1.961 -9.716 3.410 1.00 0.00 C ATOM 115 C CYS A 9 -1.043 -10.835 2.871 1.00 0.00 C ATOM 116 O CYS A 9 0.168 -10.694 2.784 1.00 0.00 O ATOM 117 CB CYS A 9 -2.201 -8.658 2.393 1.00 0.00 C ATOM 118 SG CYS A 9 -3.781 -7.865 2.856 1.00 0.00 S ATOM 0 H CYS A 9 -0.419 -9.085 4.664 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.918 -10.185 3.639 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.388 -7.932 2.385 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.257 -9.085 1.392 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.566 -6.978 3.782 1.00 0.00 H new ATOM 124 N HIS A 10 -1.660 -11.971 2.464 1.00 0.00 N ATOM 125 CA HIS A 10 -0.969 -13.283 2.259 1.00 0.00 C ATOM 126 C HIS A 10 -1.589 -14.217 1.167 1.00 0.00 C ATOM 127 O HIS A 10 -0.903 -15.248 0.943 1.00 0.00 O ATOM 128 CB HIS A 10 -0.894 -14.105 3.609 1.00 0.00 C ATOM 129 CG HIS A 10 -0.311 -13.381 4.794 1.00 0.00 C ATOM 130 ND1 HIS A 10 1.098 -13.287 4.987 1.00 0.00 N ATOM 131 CD2 HIS A 10 -0.963 -12.841 5.889 1.00 0.00 C ATOM 132 CE1 HIS A 10 1.125 -12.691 6.285 1.00 0.00 C ATOM 133 NE2 HIS A 10 -0.107 -12.479 6.904 1.00 0.00 N ATOM 0 H HIS A 10 -2.660 -12.010 2.265 1.00 0.00 H new ATOM 0 HA HIS A 10 0.019 -12.991 1.903 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -1.901 -14.432 3.868 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.303 -15.004 3.431 1.00 0.00 H new ATOM 0 HD1 HIS A 10 1.865 -13.565 4.375 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -2.035 -12.716 5.942 1.00 0.00 H new ATOM 0 HE1 HIS A 10 2.054 -12.418 6.764 1.00 0.00 H new ATOM 141 N THR A 11 -2.799 -13.993 0.613 1.00 0.00 N ATOM 142 CA THR A 11 -3.528 -15.079 -0.120 1.00 0.00 C ATOM 143 C THR A 11 -4.562 -14.357 -1.088 1.00 0.00 C ATOM 144 O THR A 11 -4.621 -13.140 -1.202 1.00 0.00 O ATOM 145 CB THR A 11 -4.247 -16.199 0.730 1.00 0.00 C ATOM 146 OG1 THR A 11 -5.073 -15.603 1.764 1.00 0.00 O ATOM 147 CG2 THR A 11 -3.330 -17.177 1.394 1.00 0.00 C ATOM 0 H THR A 11 -3.291 -13.100 0.650 1.00 0.00 H new ATOM 0 HA THR A 11 -2.763 -15.659 -0.637 1.00 0.00 H new ATOM 0 HB THR A 11 -4.838 -16.751 -0.001 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.963 -16.013 1.748 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.918 -17.905 1.953 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.738 -17.692 0.638 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.665 -16.647 2.076 1.00 0.00 H new ATOM 155 N VAL A 12 -5.479 -15.112 -1.781 1.00 0.00 N ATOM 156 CA VAL A 12 -6.681 -14.558 -2.456 1.00 0.00 C ATOM 157 C VAL A 12 -7.747 -13.768 -1.576 1.00 0.00 C ATOM 158 O VAL A 12 -8.652 -13.108 -2.050 1.00 0.00 O ATOM 159 CB VAL A 12 -7.373 -15.646 -3.362 1.00 0.00 C ATOM 160 CG1 VAL A 12 -7.886 -16.956 -2.633 1.00 0.00 C ATOM 161 CG2 VAL A 12 -8.619 -15.196 -4.164 1.00 0.00 C ATOM 0 H VAL A 12 -5.394 -16.124 -1.880 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.259 -13.759 -3.065 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.515 -15.838 -4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.342 -17.624 -3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.045 -17.459 -2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.624 -16.687 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.000 -16.035 -4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.390 -14.852 -3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.345 -14.383 -4.837 1.00 0.00 H new ATOM 171 N ASP A 13 -7.714 -13.890 -0.282 1.00 0.00 N ATOM 172 CA ASP A 13 -8.250 -12.885 0.629 1.00 0.00 C ATOM 173 C ASP A 13 -7.858 -11.348 0.514 1.00 0.00 C ATOM 174 O ASP A 13 -8.738 -10.483 0.572 1.00 0.00 O ATOM 175 CB ASP A 13 -7.962 -13.345 2.077 1.00 0.00 C ATOM 176 CG ASP A 13 -8.495 -14.709 2.519 1.00 0.00 C ATOM 177 OD1 ASP A 13 -7.775 -15.612 2.954 1.00 0.00 O ATOM 178 OD2 ASP A 13 -9.833 -14.787 2.382 1.00 0.00 O ATOM 0 H ASP A 13 -7.310 -14.698 0.192 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.294 -12.859 0.317 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.881 -13.348 2.217 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.369 -12.593 2.753 1.00 0.00 H new ATOM 184 N THR A 14 -6.575 -10.954 0.329 1.00 0.00 N ATOM 185 CA THR A 14 -6.176 -9.629 -0.237 1.00 0.00 C ATOM 186 C THR A 14 -6.714 -9.179 -1.690 1.00 0.00 C ATOM 187 O THR A 14 -6.858 -7.965 -1.897 1.00 0.00 O ATOM 188 CB THR A 14 -4.697 -9.200 -0.075 1.00 0.00 C ATOM 189 OG1 THR A 14 -4.424 -7.828 -0.207 1.00 0.00 O ATOM 190 CG2 THR A 14 -3.773 -9.895 -1.038 1.00 0.00 C ATOM 0 H THR A 14 -5.779 -11.545 0.567 1.00 0.00 H new ATOM 0 HA THR A 14 -6.781 -9.066 0.474 1.00 0.00 H new ATOM 0 HB THR A 14 -4.516 -9.493 0.959 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.254 -7.442 0.677 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.752 -9.552 -0.874 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.824 -10.972 -0.878 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.073 -9.665 -2.060 1.00 0.00 H new ATOM 198 N TRP A 15 -6.891 -10.139 -2.629 1.00 0.00 N ATOM 199 CA TRP A 15 -7.744 -9.928 -3.833 1.00 0.00 C ATOM 200 C TRP A 15 -9.242 -9.444 -3.505 1.00 0.00 C ATOM 201 O TRP A 15 -9.779 -8.540 -4.117 1.00 0.00 O ATOM 202 CB TRP A 15 -7.900 -11.184 -4.736 1.00 0.00 C ATOM 203 CG TRP A 15 -6.828 -11.252 -5.786 1.00 0.00 C ATOM 204 CD1 TRP A 15 -5.589 -11.884 -5.657 1.00 0.00 C ATOM 205 CD2 TRP A 15 -6.866 -10.804 -7.108 1.00 0.00 C ATOM 206 NE1 TRP A 15 -4.852 -11.869 -6.884 1.00 0.00 N ATOM 207 CE2 TRP A 15 -5.660 -11.130 -7.774 1.00 0.00 C ATOM 208 CE3 TRP A 15 -7.876 -10.148 -7.788 1.00 0.00 C ATOM 209 CZ2 TRP A 15 -5.457 -10.645 -9.074 1.00 0.00 C ATOM 210 CZ3 TRP A 15 -7.702 -9.802 -9.163 1.00 0.00 C ATOM 211 CH2 TRP A 15 -6.472 -9.975 -9.756 1.00 0.00 C ATOM 0 H TRP A 15 -6.460 -11.062 -2.581 1.00 0.00 H new ATOM 0 HA TRP A 15 -7.190 -9.146 -4.353 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.862 -12.082 -4.119 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.879 -11.168 -5.216 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -5.230 -12.330 -4.741 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.946 -12.297 -7.073 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -8.795 -9.898 -7.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -4.501 -10.793 -9.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -8.530 -9.407 -9.733 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.293 -9.592 -10.750 1.00 0.00 H new ATOM 222 N LYS A 16 -9.894 -10.033 -2.478 1.00 0.00 N ATOM 223 CA LYS A 16 -11.130 -9.512 -1.757 1.00 0.00 C ATOM 224 C LYS A 16 -10.947 -8.030 -1.247 1.00 0.00 C ATOM 225 O LYS A 16 -11.851 -7.210 -1.441 1.00 0.00 O ATOM 226 CB LYS A 16 -11.693 -10.373 -0.595 1.00 0.00 C ATOM 227 CG LYS A 16 -11.891 -11.832 -0.973 1.00 0.00 C ATOM 228 CD LYS A 16 -12.963 -12.592 -0.154 1.00 0.00 C ATOM 229 CE LYS A 16 -12.552 -12.767 1.326 1.00 0.00 C ATOM 230 NZ LYS A 16 -13.475 -13.645 2.091 1.00 0.00 N ATOM 0 H LYS A 16 -9.579 -10.924 -2.094 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.877 -9.568 -2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.013 -10.314 0.255 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.646 -9.956 -0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.161 -11.883 -2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.939 -12.351 -0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.908 -12.051 -0.205 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.132 -13.572 -0.601 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.546 -13.183 1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.513 -11.788 1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.145 -13.722 3.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.432 -13.238 2.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.494 -14.590 1.657 1.00 0.00 H new ATOM 243 N GLU A 17 -9.900 -7.772 -0.440 1.00 0.00 N ATOM 244 CA GLU A 17 -9.477 -6.437 -0.039 1.00 0.00 C ATOM 245 C GLU A 17 -9.084 -5.318 -1.074 1.00 0.00 C ATOM 246 O GLU A 17 -9.862 -4.396 -1.257 1.00 0.00 O ATOM 247 CB GLU A 17 -8.360 -6.660 1.067 1.00 0.00 C ATOM 248 CG GLU A 17 -8.718 -7.509 2.354 1.00 0.00 C ATOM 249 CD GLU A 17 -7.544 -7.752 3.295 1.00 0.00 C ATOM 250 OE1 GLU A 17 -6.917 -6.837 3.852 1.00 0.00 O ATOM 251 OE2 GLU A 17 -7.301 -9.090 3.421 1.00 0.00 O ATOM 0 H GLU A 17 -9.318 -8.511 -0.045 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.398 -5.956 0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.508 -7.138 0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.027 -5.678 1.402 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.508 -6.998 2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.121 -8.472 2.039 1.00 0.00 H new ATOM 259 N HIS A 18 -7.963 -5.500 -1.720 1.00 0.00 N ATOM 260 CA HIS A 18 -7.348 -4.534 -2.689 1.00 0.00 C ATOM 261 C HIS A 18 -8.285 -4.014 -3.845 1.00 0.00 C ATOM 262 O HIS A 18 -8.610 -2.848 -4.024 1.00 0.00 O ATOM 263 CB HIS A 18 -5.995 -5.152 -3.205 1.00 0.00 C ATOM 264 CG HIS A 18 -5.113 -4.378 -4.211 1.00 0.00 C ATOM 265 ND1 HIS A 18 -5.537 -4.029 -5.515 1.00 0.00 N ATOM 266 CD2 HIS A 18 -3.760 -4.090 -4.098 1.00 0.00 C ATOM 267 CE1 HIS A 18 -4.454 -3.375 -5.925 1.00 0.00 C ATOM 268 NE2 HIS A 18 -3.298 -3.303 -5.148 1.00 0.00 N ATOM 0 H HIS A 18 -7.406 -6.347 -1.605 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.158 -3.609 -2.145 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.380 -5.357 -2.329 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.233 -6.114 -3.659 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -6.414 -4.222 -5.998 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.137 -4.437 -3.287 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.470 -2.885 -6.888 1.00 0.00 H new ATOM 276 N PHE A 19 -8.784 -4.975 -4.603 1.00 0.00 N ATOM 277 CA PHE A 19 -9.823 -4.796 -5.644 1.00 0.00 C ATOM 278 C PHE A 19 -11.225 -4.170 -5.405 1.00 0.00 C ATOM 279 O PHE A 19 -11.634 -3.152 -5.977 1.00 0.00 O ATOM 280 CB PHE A 19 -9.955 -6.141 -6.472 1.00 0.00 C ATOM 281 CG PHE A 19 -10.322 -5.894 -7.938 1.00 0.00 C ATOM 282 CD1 PHE A 19 -11.657 -5.644 -8.351 1.00 0.00 C ATOM 283 CD2 PHE A 19 -9.314 -6.014 -8.906 1.00 0.00 C ATOM 284 CE1 PHE A 19 -11.953 -5.695 -9.727 1.00 0.00 C ATOM 285 CE2 PHE A 19 -9.622 -6.002 -10.252 1.00 0.00 C ATOM 286 CZ PHE A 19 -10.953 -5.822 -10.648 1.00 0.00 C ATOM 0 H PHE A 19 -8.476 -5.944 -4.520 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.391 -3.934 -6.152 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.013 -6.687 -6.424 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.714 -6.774 -6.012 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -12.427 -5.420 -7.628 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -8.285 -6.117 -8.595 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -12.980 -5.633 -10.056 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.845 -6.130 -10.991 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.193 -5.783 -11.700 1.00 0.00 H new ATOM 296 N GLU A 20 -11.970 -4.800 -4.451 1.00 0.00 N ATOM 297 CA GLU A 20 -13.307 -4.455 -3.911 1.00 0.00 C ATOM 298 C GLU A 20 -13.450 -3.078 -3.133 1.00 0.00 C ATOM 299 O GLU A 20 -14.393 -2.315 -3.458 1.00 0.00 O ATOM 300 CB GLU A 20 -14.103 -5.569 -3.081 1.00 0.00 C ATOM 301 CG GLU A 20 -14.075 -7.090 -3.491 1.00 0.00 C ATOM 302 CD GLU A 20 -14.624 -7.360 -4.871 1.00 0.00 C ATOM 303 OE1 GLU A 20 -14.054 -7.089 -5.922 1.00 0.00 O ATOM 304 OE2 GLU A 20 -15.885 -7.850 -4.791 1.00 0.00 O ATOM 0 H GLU A 20 -11.609 -5.642 -4.002 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.784 -4.362 -4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.743 -5.513 -2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.150 -5.265 -3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.048 -7.451 -3.442 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.649 -7.663 -2.763 1.00 0.00 H new ATOM 312 N LYS A 21 -12.569 -2.813 -2.150 1.00 0.00 N ATOM 313 CA LYS A 21 -12.213 -1.440 -1.692 1.00 0.00 C ATOM 314 C LYS A 21 -11.768 -0.376 -2.790 1.00 0.00 C ATOM 315 O LYS A 21 -12.484 0.576 -3.046 1.00 0.00 O ATOM 316 CB LYS A 21 -11.208 -1.308 -0.498 1.00 0.00 C ATOM 317 CG LYS A 21 -11.599 -2.004 0.866 1.00 0.00 C ATOM 318 CD LYS A 21 -12.755 -1.440 1.649 1.00 0.00 C ATOM 319 CE LYS A 21 -13.161 -2.299 2.943 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.117 -2.411 3.982 1.00 0.00 N ATOM 0 H LYS A 21 -12.075 -3.547 -1.642 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.217 -1.192 -1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.249 -1.714 -0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.056 -0.247 -0.302 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.820 -3.050 0.654 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.721 -1.988 1.511 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.505 -0.427 1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.621 -1.365 0.992 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.049 -1.852 3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.437 -3.303 2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.475 -2.983 4.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.274 -2.867 3.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.866 -1.462 4.326 1.00 0.00 H new ATOM 333 N GLY A 22 -10.623 -0.633 -3.420 1.00 0.00 N ATOM 334 CA GLY A 22 -10.079 0.193 -4.564 1.00 0.00 C ATOM 335 C GLY A 22 -11.057 0.619 -5.650 1.00 0.00 C ATOM 336 O GLY A 22 -11.697 1.656 -5.484 1.00 0.00 O ATOM 0 H GLY A 22 -10.022 -1.419 -3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.629 1.093 -4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.277 -0.374 -5.037 1.00 0.00 H new ATOM 340 N LYS A 23 -11.263 -0.090 -6.762 1.00 0.00 N ATOM 341 CA LYS A 23 -12.443 -0.088 -7.623 1.00 0.00 C ATOM 342 C LYS A 23 -13.676 -0.693 -6.782 1.00 0.00 C ATOM 343 O LYS A 23 -13.905 -1.876 -6.621 1.00 0.00 O ATOM 344 CB LYS A 23 -12.239 -0.865 -8.943 1.00 0.00 C ATOM 345 CG LYS A 23 -13.374 -0.542 -9.994 1.00 0.00 C ATOM 346 CD LYS A 23 -13.624 -1.767 -10.916 1.00 0.00 C ATOM 347 CE LYS A 23 -12.601 -2.167 -11.930 1.00 0.00 C ATOM 348 NZ LYS A 23 -12.185 -1.041 -12.817 1.00 0.00 N ATOM 0 H LYS A 23 -10.550 -0.731 -7.110 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.646 0.940 -7.924 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.267 -0.612 -9.368 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.228 -1.935 -8.737 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.295 -0.276 -9.474 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.087 0.321 -10.595 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.792 -2.629 -10.270 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.555 -1.583 -11.452 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.724 -2.561 -11.417 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.001 -2.975 -12.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.527 -1.394 -13.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.024 -0.636 -13.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.714 -0.308 -12.249 1.00 0.00 H new ATOM 361 N GLY A 24 -14.400 0.280 -6.257 1.00 0.00 N ATOM 362 CA GLY A 24 -15.793 0.045 -5.765 1.00 0.00 C ATOM 363 C GLY A 24 -16.258 1.142 -4.735 1.00 0.00 C ATOM 364 O GLY A 24 -17.376 1.708 -4.786 1.00 0.00 O ATOM 0 H GLY A 24 -14.072 1.240 -6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -16.478 0.033 -6.613 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.849 -0.937 -5.296 1.00 0.00 H new ATOM 368 N SER A 25 -15.481 1.027 -3.716 1.00 0.00 N ATOM 369 CA SER A 25 -15.604 1.819 -2.482 1.00 0.00 C ATOM 370 C SER A 25 -14.811 3.149 -2.768 1.00 0.00 C ATOM 371 O SER A 25 -13.637 3.167 -3.195 1.00 0.00 O ATOM 372 CB SER A 25 -15.141 1.099 -1.179 1.00 0.00 C ATOM 373 OG SER A 25 -15.788 -0.123 -1.005 1.00 0.00 O ATOM 0 H SER A 25 -14.707 0.364 -3.690 1.00 0.00 H new ATOM 0 HA SER A 25 -16.656 2.004 -2.263 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.064 0.938 -1.216 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.338 1.740 -0.320 1.00 0.00 H new ATOM 0 HG SER A 25 -15.472 -0.546 -0.180 1.00 0.00 H new ATOM 379 N GLN A 26 -15.555 4.226 -2.588 1.00 0.00 N ATOM 380 CA GLN A 26 -15.049 5.622 -2.641 1.00 0.00 C ATOM 381 C GLN A 26 -14.092 6.054 -1.513 1.00 0.00 C ATOM 382 O GLN A 26 -14.440 6.752 -0.568 1.00 0.00 O ATOM 383 CB GLN A 26 -16.244 6.626 -2.811 1.00 0.00 C ATOM 384 CG GLN A 26 -16.885 6.872 -4.207 1.00 0.00 C ATOM 385 CD GLN A 26 -17.945 5.852 -4.605 1.00 0.00 C ATOM 386 OE1 GLN A 26 -19.097 6.005 -4.280 1.00 0.00 O ATOM 387 NE2 GLN A 26 -17.584 4.741 -5.298 1.00 0.00 N ATOM 0 H GLN A 26 -16.555 4.173 -2.395 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.407 5.648 -3.522 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -17.041 6.291 -2.147 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -15.905 7.593 -2.439 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.333 7.865 -4.217 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.097 6.871 -4.960 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -16.612 4.606 -5.575 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.285 4.041 -5.541 1.00 0.00 H new ATOM 396 N LYS A 27 -12.800 5.594 -1.680 1.00 0.00 N ATOM 397 CA LYS A 27 -11.606 5.812 -0.841 1.00 0.00 C ATOM 398 C LYS A 27 -10.355 5.742 -1.748 1.00 0.00 C ATOM 399 O LYS A 27 -10.372 5.328 -2.926 1.00 0.00 O ATOM 400 CB LYS A 27 -11.729 4.763 0.334 1.00 0.00 C ATOM 401 CG LYS A 27 -11.834 3.250 0.196 1.00 0.00 C ATOM 402 CD LYS A 27 -11.737 2.617 1.607 1.00 0.00 C ATOM 403 CE LYS A 27 -12.856 2.676 2.676 1.00 0.00 C ATOM 404 NZ LYS A 27 -12.517 1.906 3.918 1.00 0.00 N ATOM 0 H LYS A 27 -12.570 5.011 -2.485 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.517 6.791 -0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.862 4.937 0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.609 5.065 0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.778 2.978 -0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.036 2.872 -0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.527 1.559 1.449 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.852 3.052 2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.045 3.717 2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.779 2.282 2.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.301 1.981 4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.363 0.906 3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.652 2.296 4.343 1.00 0.00 H new ATOM 417 N LEU A 28 -9.204 5.974 -1.115 1.00 0.00 N ATOM 418 CA LEU A 28 -7.847 5.770 -1.563 1.00 0.00 C ATOM 419 C LEU A 28 -7.315 4.581 -0.784 1.00 0.00 C ATOM 420 O LEU A 28 -7.829 4.182 0.276 1.00 0.00 O ATOM 421 CB LEU A 28 -7.164 7.141 -1.389 1.00 0.00 C ATOM 422 CG LEU A 28 -5.607 7.143 -1.642 1.00 0.00 C ATOM 423 CD1 LEU A 28 -5.335 6.752 -3.126 1.00 0.00 C ATOM 424 CD2 LEU A 28 -4.838 8.448 -1.353 1.00 0.00 C ATOM 0 H LEU A 28 -9.215 6.353 -0.168 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.684 5.495 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.629 7.852 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.354 7.500 -0.377 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.228 6.426 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.261 6.751 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.738 5.758 -3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.816 7.474 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.780 8.303 -1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.231 9.248 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.958 8.716 -0.303 1.00 0.00 H new ATOM 436 N ILE A 29 -6.343 3.870 -1.362 1.00 0.00 N ATOM 437 CA ILE A 29 -5.695 2.657 -0.904 1.00 0.00 C ATOM 438 C ILE A 29 -4.216 2.796 -1.421 1.00 0.00 C ATOM 439 O ILE A 29 -3.959 3.289 -2.545 1.00 0.00 O ATOM 440 CB ILE A 29 -6.370 1.207 -1.121 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.081 0.574 -2.511 1.00 0.00 C ATOM 442 CG2 ILE A 29 -7.975 1.223 -0.914 1.00 0.00 C ATOM 443 CD1 ILE A 29 -6.409 -0.959 -2.599 1.00 0.00 C ATOM 0 H ILE A 29 -5.956 4.170 -2.257 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.799 2.620 0.180 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.898 0.597 -0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.662 1.103 -3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.029 0.724 -2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.372 0.221 -1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.208 1.549 0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.427 1.910 -1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.180 -1.323 -3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.809 -1.502 -1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.467 -1.117 -2.389 1.00 0.00 H new ATOM 455 N VAL A 30 -3.267 2.477 -0.555 1.00 0.00 N ATOM 456 CA VAL A 30 -1.813 2.743 -0.714 1.00 0.00 C ATOM 457 C VAL A 30 -1.232 1.436 -0.134 1.00 0.00 C ATOM 458 O VAL A 30 -1.639 0.903 0.940 1.00 0.00 O ATOM 459 CB VAL A 30 -1.320 4.120 -0.057 1.00 0.00 C ATOM 460 CG1 VAL A 30 0.148 4.461 -0.279 1.00 0.00 C ATOM 461 CG2 VAL A 30 -2.074 5.380 -0.562 1.00 0.00 C ATOM 0 H VAL A 30 -3.480 2.004 0.323 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.477 2.934 -1.733 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.523 3.910 0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.378 5.410 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.772 3.676 0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.345 4.542 -1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.676 6.265 -0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.940 5.477 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.136 5.283 -0.336 1.00 0.00 H new ATOM 471 N VAL A 31 -0.352 0.808 -0.842 1.00 0.00 N ATOM 472 CA VAL A 31 -0.062 -0.729 -0.747 1.00 0.00 C ATOM 473 C VAL A 31 1.431 -0.971 -0.956 1.00 0.00 C ATOM 474 O VAL A 31 1.998 -0.841 -2.049 1.00 0.00 O ATOM 475 CB VAL A 31 -1.068 -1.600 -1.464 1.00 0.00 C ATOM 476 CG1 VAL A 31 -1.180 -1.275 -2.974 1.00 0.00 C ATOM 477 CG2 VAL A 31 -0.749 -3.148 -1.286 1.00 0.00 C ATOM 0 H VAL A 31 0.232 1.281 -1.532 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.253 -1.098 0.261 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.026 -1.374 -0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.917 -1.933 -3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.490 -0.238 -3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.212 -1.425 -3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.497 -3.737 -1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.239 -3.365 -1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.771 -3.405 -0.227 1.00 0.00 H new ATOM 487 N ASP A 32 2.035 -1.483 0.141 1.00 0.00 N ATOM 488 CA ASP A 32 3.380 -2.131 0.115 1.00 0.00 C ATOM 489 C ASP A 32 3.295 -3.593 -0.480 1.00 0.00 C ATOM 490 O ASP A 32 2.299 -4.343 -0.356 1.00 0.00 O ATOM 491 CB ASP A 32 3.966 -2.250 1.587 1.00 0.00 C ATOM 492 CG ASP A 32 5.519 -2.133 1.723 1.00 0.00 C ATOM 493 OD1 ASP A 32 5.975 -2.132 2.925 1.00 0.00 O ATOM 494 OD2 ASP A 32 6.248 -2.165 0.586 1.00 0.00 O ATOM 0 H ASP A 32 1.611 -1.462 1.069 1.00 0.00 H new ATOM 0 HA ASP A 32 4.023 -1.510 -0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.509 -1.474 2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.657 -3.209 2.002 1.00 0.00 H new ATOM 500 N PHE A 33 4.358 -3.933 -1.276 1.00 0.00 N ATOM 501 CA PHE A 33 4.724 -5.168 -1.939 1.00 0.00 C ATOM 502 C PHE A 33 6.274 -5.213 -1.646 1.00 0.00 C ATOM 503 O PHE A 33 7.014 -4.368 -2.198 1.00 0.00 O ATOM 504 CB PHE A 33 4.424 -5.092 -3.475 1.00 0.00 C ATOM 505 CG PHE A 33 2.910 -5.035 -3.805 1.00 0.00 C ATOM 506 CD1 PHE A 33 2.166 -6.277 -3.655 1.00 0.00 C ATOM 507 CD2 PHE A 33 2.249 -3.846 -4.167 1.00 0.00 C ATOM 508 CE1 PHE A 33 0.768 -6.260 -3.943 1.00 0.00 C ATOM 509 CE2 PHE A 33 0.869 -3.892 -4.350 1.00 0.00 C ATOM 510 CZ PHE A 33 0.165 -5.061 -4.287 1.00 0.00 C ATOM 0 H PHE A 33 5.061 -3.222 -1.477 1.00 0.00 H new ATOM 0 HA PHE A 33 4.180 -6.049 -1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 33 4.912 -4.210 -3.890 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.863 -5.960 -3.967 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.657 -7.184 -3.335 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.796 -2.924 -4.299 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.188 -7.170 -3.893 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.338 -2.973 -4.548 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.891 -5.050 -4.512 1.00 0.00 H new ATOM 520 N THR A 34 6.545 -6.087 -0.747 1.00 0.00 N ATOM 521 CA THR A 34 7.821 -6.198 -0.086 1.00 0.00 C ATOM 522 C THR A 34 7.931 -7.687 0.223 1.00 0.00 C ATOM 523 O THR A 34 6.965 -8.409 0.455 1.00 0.00 O ATOM 524 CB THR A 34 7.883 -5.352 1.259 1.00 0.00 C ATOM 525 OG1 THR A 34 9.215 -5.173 1.696 1.00 0.00 O ATOM 526 CG2 THR A 34 7.011 -5.830 2.389 1.00 0.00 C ATOM 0 H THR A 34 5.866 -6.779 -0.429 1.00 0.00 H new ATOM 0 HA THR A 34 8.632 -5.813 -0.704 1.00 0.00 H new ATOM 0 HB THR A 34 7.452 -4.392 0.975 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.358 -4.233 1.932 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.139 -5.174 3.250 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.967 -5.816 2.074 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.294 -6.847 2.662 1.00 0.00 H new ATOM 534 N ALA A 35 9.151 -8.129 0.308 1.00 0.00 N ATOM 535 CA ALA A 35 9.608 -9.324 0.956 1.00 0.00 C ATOM 536 C ALA A 35 9.670 -9.116 2.494 1.00 0.00 C ATOM 537 O ALA A 35 10.168 -8.030 2.980 1.00 0.00 O ATOM 538 CB ALA A 35 10.952 -9.507 0.249 1.00 0.00 C ATOM 0 H ALA A 35 9.924 -7.614 -0.114 1.00 0.00 H new ATOM 0 HA ALA A 35 8.980 -10.211 0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.447 -10.398 0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.787 -9.618 -0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.580 -8.635 0.431 1.00 0.00 H new ATOM 544 N SER A 36 9.260 -10.102 3.250 1.00 0.00 N ATOM 545 CA SER A 36 9.484 -10.116 4.758 1.00 0.00 C ATOM 546 C SER A 36 10.955 -9.862 5.320 1.00 0.00 C ATOM 547 O SER A 36 11.307 -9.106 6.224 1.00 0.00 O ATOM 548 CB SER A 36 8.856 -11.352 5.417 1.00 0.00 C ATOM 549 OG SER A 36 9.011 -11.356 6.833 1.00 0.00 O ATOM 0 H SER A 36 8.768 -10.921 2.893 1.00 0.00 H new ATOM 0 HA SER A 36 8.961 -9.207 5.054 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.795 -11.390 5.171 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.312 -12.251 5.003 1.00 0.00 H new ATOM 0 HG SER A 36 8.594 -12.161 7.205 1.00 0.00 H new ATOM 555 N TRP A 37 11.820 -10.439 4.575 1.00 0.00 N ATOM 556 CA TRP A 37 13.238 -10.199 4.740 1.00 0.00 C ATOM 557 C TRP A 37 13.753 -8.817 4.262 1.00 0.00 C ATOM 558 O TRP A 37 14.306 -8.733 3.152 1.00 0.00 O ATOM 559 CB TRP A 37 13.963 -11.445 4.190 1.00 0.00 C ATOM 560 CG TRP A 37 13.703 -11.984 2.723 1.00 0.00 C ATOM 561 CD1 TRP A 37 12.604 -12.688 2.136 1.00 0.00 C ATOM 562 CD2 TRP A 37 14.529 -11.657 1.614 1.00 0.00 C ATOM 563 NE1 TRP A 37 12.641 -12.708 0.771 1.00 0.00 N ATOM 564 CE2 TRP A 37 13.850 -12.122 0.476 1.00 0.00 C ATOM 565 CE3 TRP A 37 15.785 -10.914 1.399 1.00 0.00 C ATOM 566 CZ2 TRP A 37 14.351 -11.883 -0.851 1.00 0.00 C ATOM 567 CZ3 TRP A 37 16.174 -10.600 0.125 1.00 0.00 C ATOM 568 CH2 TRP A 37 15.506 -11.151 -1.015 1.00 0.00 C ATOM 0 H TRP A 37 11.586 -11.094 3.829 1.00 0.00 H new ATOM 0 HA TRP A 37 13.479 -10.088 5.797 1.00 0.00 H new ATOM 0 HB2 TRP A 37 15.032 -11.248 4.268 1.00 0.00 H new ATOM 0 HB3 TRP A 37 13.740 -12.266 4.871 1.00 0.00 H new ATOM 0 HD1 TRP A 37 11.823 -13.157 2.715 1.00 0.00 H new ATOM 0 HE1 TRP A 37 11.940 -13.071 0.125 1.00 0.00 H new ATOM 0 HE3 TRP A 37 16.394 -10.620 2.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 13.827 -12.274 -1.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 17.002 -9.923 -0.023 1.00 0.00 H new ATOM 0 HH2 TRP A 37 15.908 -10.992 -2.005 1.00 0.00 H new ATOM 579 N CYS A 38 13.653 -7.776 5.107 1.00 0.00 N ATOM 580 CA CYS A 38 14.007 -6.336 4.680 1.00 0.00 C ATOM 581 C CYS A 38 14.129 -5.434 5.973 1.00 0.00 C ATOM 582 O CYS A 38 13.106 -4.775 6.288 1.00 0.00 O ATOM 583 CB CYS A 38 12.994 -5.701 3.612 1.00 0.00 C ATOM 584 SG CYS A 38 13.542 -4.065 3.094 1.00 0.00 S ATOM 0 H CYS A 38 13.341 -7.860 6.075 1.00 0.00 H new ATOM 0 HA CYS A 38 14.963 -6.377 4.158 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.919 -6.355 2.743 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.997 -5.633 4.047 1.00 0.00 H new ATOM 0 HG CYS A 38 14.317 -3.558 4.006 1.00 0.00 H new ATOM 590 N PRO A 39 15.372 -5.276 6.564 1.00 0.00 N ATOM 591 CA PRO A 39 15.665 -4.184 7.585 1.00 0.00 C ATOM 592 C PRO A 39 15.196 -2.714 7.255 1.00 0.00 C ATOM 593 O PRO A 39 14.413 -2.172 8.059 1.00 0.00 O ATOM 594 CB PRO A 39 17.101 -4.340 7.997 1.00 0.00 C ATOM 595 CG PRO A 39 17.403 -5.786 7.567 1.00 0.00 C ATOM 596 CD PRO A 39 16.534 -6.189 6.370 1.00 0.00 C ATOM 0 HA PRO A 39 15.006 -4.341 8.439 1.00 0.00 H new ATOM 0 HB2 PRO A 39 17.749 -3.622 7.496 1.00 0.00 H new ATOM 0 HB3 PRO A 39 17.236 -4.197 9.069 1.00 0.00 H new ATOM 0 HG2 PRO A 39 18.457 -5.880 7.305 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.220 -6.464 8.400 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.037 -6.024 5.417 1.00 0.00 H new ATOM 0 HD3 PRO A 39 16.246 -7.240 6.401 1.00 0.00 H new ATOM 604 N PRO A 40 15.413 -2.174 6.011 1.00 0.00 N ATOM 605 CA PRO A 40 14.686 -0.978 5.539 1.00 0.00 C ATOM 606 C PRO A 40 13.128 -0.922 5.750 1.00 0.00 C ATOM 607 O PRO A 40 12.600 -0.009 6.379 1.00 0.00 O ATOM 608 CB PRO A 40 15.175 -0.834 4.096 1.00 0.00 C ATOM 609 CG PRO A 40 16.543 -1.449 4.145 1.00 0.00 C ATOM 610 CD PRO A 40 16.534 -2.557 5.122 1.00 0.00 C ATOM 0 HA PRO A 40 14.913 -0.113 6.162 1.00 0.00 H new ATOM 0 HB2 PRO A 40 14.523 -1.354 3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.212 0.210 3.784 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.826 -1.818 3.159 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.283 -0.701 4.430 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.364 -3.522 4.644 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.477 -2.631 5.663 1.00 0.00 H new ATOM 618 N CYS A 41 12.394 -1.931 5.218 1.00 0.00 N ATOM 619 CA CYS A 41 10.941 -2.133 5.507 1.00 0.00 C ATOM 620 C CYS A 41 10.478 -2.473 6.972 1.00 0.00 C ATOM 621 O CYS A 41 9.379 -2.161 7.343 1.00 0.00 O ATOM 622 CB CYS A 41 10.250 -2.901 4.385 1.00 0.00 C ATOM 623 SG CYS A 41 10.634 -2.521 2.624 1.00 0.00 S ATOM 0 H CYS A 41 12.783 -2.626 4.581 1.00 0.00 H new ATOM 0 HA CYS A 41 10.550 -1.115 5.503 1.00 0.00 H new ATOM 0 HB2 CYS A 41 10.462 -3.959 4.540 1.00 0.00 H new ATOM 0 HB3 CYS A 41 9.176 -2.768 4.517 1.00 0.00 H new ATOM 0 HG CYS A 41 11.792 -3.023 2.314 1.00 0.00 H new ATOM 629 N LYS A 42 11.387 -3.050 7.798 1.00 0.00 N ATOM 630 CA LYS A 42 11.249 -3.082 9.315 1.00 0.00 C ATOM 631 C LYS A 42 11.118 -1.716 10.054 1.00 0.00 C ATOM 632 O LYS A 42 10.202 -1.595 10.900 1.00 0.00 O ATOM 633 CB LYS A 42 12.312 -4.001 9.976 1.00 0.00 C ATOM 634 CG LYS A 42 11.799 -4.564 11.317 1.00 0.00 C ATOM 635 CD LYS A 42 12.913 -5.172 12.276 1.00 0.00 C ATOM 636 CE LYS A 42 12.359 -5.698 13.643 1.00 0.00 C ATOM 637 NZ LYS A 42 11.531 -6.919 13.543 1.00 0.00 N ATOM 0 H LYS A 42 12.233 -3.506 7.458 1.00 0.00 H new ATOM 0 HA LYS A 42 10.260 -3.519 9.452 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.557 -4.822 9.303 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.231 -3.439 10.141 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.280 -3.768 11.851 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.062 -5.340 11.107 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.415 -5.991 11.760 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.666 -4.409 12.471 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.199 -5.898 14.308 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.766 -4.910 14.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.207 -7.197 14.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.707 -6.731 12.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.096 -7.689 13.131 1.00 0.00 H new ATOM 650 N MET A 43 11.902 -0.671 9.675 1.00 0.00 N ATOM 651 CA MET A 43 11.531 0.743 9.940 1.00 0.00 C ATOM 652 C MET A 43 10.206 1.358 9.247 1.00 0.00 C ATOM 653 O MET A 43 9.381 1.975 9.998 1.00 0.00 O ATOM 654 CB MET A 43 12.750 1.724 9.987 1.00 0.00 C ATOM 655 CG MET A 43 13.279 2.227 8.625 1.00 0.00 C ATOM 656 SD MET A 43 14.742 3.295 8.920 1.00 0.00 S ATOM 657 CE MET A 43 15.122 3.962 7.258 1.00 0.00 C ATOM 0 H MET A 43 12.791 -0.782 9.187 1.00 0.00 H new ATOM 0 HA MET A 43 11.161 0.645 10.961 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.469 2.590 10.585 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.568 1.228 10.509 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.549 1.383 7.990 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.503 2.785 8.101 1.00 0.00 H new ATOM 0 HE1 MET A 43 15.989 4.620 7.320 1.00 0.00 H new ATOM 0 HE2 MET A 43 15.339 3.139 6.577 1.00 0.00 H new ATOM 0 HE3 MET A 43 14.265 4.524 6.887 1.00 0.00 H new ATOM 667 N ILE A 44 10.059 1.231 7.876 1.00 0.00 N ATOM 668 CA ILE A 44 8.812 1.539 7.136 1.00 0.00 C ATOM 669 C ILE A 44 7.441 1.097 7.648 1.00 0.00 C ATOM 670 O ILE A 44 6.448 1.835 7.429 1.00 0.00 O ATOM 671 CB ILE A 44 8.988 1.464 5.539 1.00 0.00 C ATOM 672 CG1 ILE A 44 8.522 2.762 4.811 1.00 0.00 C ATOM 673 CG2 ILE A 44 8.327 0.240 4.910 1.00 0.00 C ATOM 674 CD1 ILE A 44 9.353 4.024 5.123 1.00 0.00 C ATOM 0 H ILE A 44 10.815 0.910 7.271 1.00 0.00 H new ATOM 0 HA ILE A 44 8.709 2.581 7.440 1.00 0.00 H new ATOM 0 HB ILE A 44 10.064 1.365 5.393 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.548 2.586 3.736 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.483 2.956 5.077 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.486 0.255 3.832 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.765 -0.666 5.329 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.257 0.256 5.120 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.950 4.871 4.569 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.308 4.234 6.192 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.390 3.859 4.829 1.00 0.00 H new ATOM 686 N ALA A 45 7.319 -0.123 8.191 1.00 0.00 N ATOM 687 CA ALA A 45 6.106 -0.598 8.908 1.00 0.00 C ATOM 688 C ALA A 45 5.762 0.382 10.071 1.00 0.00 C ATOM 689 O ALA A 45 4.681 0.986 9.813 1.00 0.00 O ATOM 690 CB ALA A 45 6.196 -2.054 9.239 1.00 0.00 C ATOM 0 H ALA A 45 8.061 -0.821 8.149 1.00 0.00 H new ATOM 0 HA ALA A 45 5.230 -0.564 8.260 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.292 -2.365 9.762 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.299 -2.630 8.320 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.063 -2.229 9.877 1.00 0.00 H new ATOM 696 N PRO A 46 6.448 0.721 11.180 1.00 0.00 N ATOM 697 CA PRO A 46 6.178 1.836 12.101 1.00 0.00 C ATOM 698 C PRO A 46 5.885 3.231 11.439 1.00 0.00 C ATOM 699 O PRO A 46 4.890 3.792 11.813 1.00 0.00 O ATOM 700 CB PRO A 46 7.389 1.859 13.076 1.00 0.00 C ATOM 701 CG PRO A 46 7.944 0.419 13.099 1.00 0.00 C ATOM 702 CD PRO A 46 7.541 -0.132 11.728 1.00 0.00 C ATOM 0 HA PRO A 46 5.232 1.660 12.613 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.148 2.564 12.738 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.081 2.175 14.073 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.025 0.406 13.236 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.512 -0.166 13.911 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.397 -0.132 11.053 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.206 -1.165 11.818 1.00 0.00 H new ATOM 710 N ILE A 47 6.553 3.673 10.373 1.00 0.00 N ATOM 711 CA ILE A 47 6.172 4.858 9.552 1.00 0.00 C ATOM 712 C ILE A 47 4.731 4.813 8.985 1.00 0.00 C ATOM 713 O ILE A 47 3.861 5.620 9.335 1.00 0.00 O ATOM 714 CB ILE A 47 7.263 5.304 8.524 1.00 0.00 C ATOM 715 CG1 ILE A 47 8.642 5.616 9.231 1.00 0.00 C ATOM 716 CG2 ILE A 47 6.882 6.398 7.498 1.00 0.00 C ATOM 717 CD1 ILE A 47 8.544 6.747 10.323 1.00 0.00 C ATOM 0 H ILE A 47 7.399 3.215 10.035 1.00 0.00 H new ATOM 0 HA ILE A 47 6.137 5.677 10.271 1.00 0.00 H new ATOM 0 HB ILE A 47 7.365 4.420 7.894 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.018 4.704 9.696 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.370 5.913 8.476 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.735 6.604 6.852 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.044 6.053 6.893 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.598 7.309 8.026 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.526 6.910 10.767 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.198 7.671 9.860 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.840 6.444 11.098 1.00 0.00 H new ATOM 729 N PHE A 48 4.457 3.835 8.209 1.00 0.00 N ATOM 730 CA PHE A 48 3.156 3.506 7.557 1.00 0.00 C ATOM 731 C PHE A 48 1.967 3.417 8.658 1.00 0.00 C ATOM 732 O PHE A 48 0.889 3.854 8.339 1.00 0.00 O ATOM 733 CB PHE A 48 3.384 2.211 6.719 1.00 0.00 C ATOM 734 CG PHE A 48 2.384 1.765 5.636 1.00 0.00 C ATOM 735 CD1 PHE A 48 2.116 2.615 4.544 1.00 0.00 C ATOM 736 CD2 PHE A 48 1.933 0.457 5.577 1.00 0.00 C ATOM 737 CE1 PHE A 48 1.706 2.088 3.329 1.00 0.00 C ATOM 738 CE2 PHE A 48 1.315 -0.025 4.428 1.00 0.00 C ATOM 739 CZ PHE A 48 1.306 0.751 3.308 1.00 0.00 C ATOM 0 H PHE A 48 5.175 3.154 7.963 1.00 0.00 H new ATOM 0 HA PHE A 48 2.820 4.289 6.877 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.353 2.316 6.231 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.472 1.387 7.427 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.231 3.683 4.654 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.062 -0.194 6.429 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.696 2.690 2.432 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.849 -0.999 4.424 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.979 0.318 2.374 1.00 0.00 H new ATOM 749 N ALA A 49 2.144 2.915 9.918 1.00 0.00 N ATOM 750 CA ALA A 49 1.266 3.107 11.063 1.00 0.00 C ATOM 751 C ALA A 49 1.053 4.526 11.603 1.00 0.00 C ATOM 752 O ALA A 49 -0.057 4.969 11.886 1.00 0.00 O ATOM 753 CB ALA A 49 1.720 2.111 12.138 1.00 0.00 C ATOM 0 H ALA A 49 2.953 2.338 10.150 1.00 0.00 H new ATOM 0 HA ALA A 49 0.253 2.915 10.708 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.090 2.216 13.021 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.637 1.095 11.751 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.757 2.313 12.406 1.00 0.00 H new ATOM 759 N GLU A 50 2.122 5.221 11.997 1.00 0.00 N ATOM 760 CA GLU A 50 2.070 6.673 12.304 1.00 0.00 C ATOM 761 C GLU A 50 1.440 7.611 11.228 1.00 0.00 C ATOM 762 O GLU A 50 0.477 8.354 11.561 1.00 0.00 O ATOM 763 CB GLU A 50 3.543 7.129 12.549 1.00 0.00 C ATOM 764 CG GLU A 50 3.874 8.671 13.027 1.00 0.00 C ATOM 765 CD GLU A 50 4.320 9.617 11.901 1.00 0.00 C ATOM 766 OE1 GLU A 50 5.495 9.683 11.556 1.00 0.00 O ATOM 767 OE2 GLU A 50 3.330 10.468 11.495 1.00 0.00 O ATOM 0 H GLU A 50 3.047 4.808 12.115 1.00 0.00 H new ATOM 0 HA GLU A 50 1.404 6.771 13.161 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.965 6.462 13.300 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.092 6.955 11.623 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.985 9.088 13.501 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.655 8.640 13.787 1.00 0.00 H new ATOM 775 N LEU A 51 1.851 7.472 9.957 1.00 0.00 N ATOM 776 CA LEU A 51 1.173 7.987 8.760 1.00 0.00 C ATOM 777 C LEU A 51 -0.341 7.617 8.573 1.00 0.00 C ATOM 778 O LEU A 51 -1.159 8.463 8.254 1.00 0.00 O ATOM 779 CB LEU A 51 2.134 7.500 7.608 1.00 0.00 C ATOM 780 CG LEU A 51 1.754 7.703 6.112 1.00 0.00 C ATOM 781 CD1 LEU A 51 1.051 6.447 5.536 1.00 0.00 C ATOM 782 CD2 LEU A 51 0.850 8.955 5.819 1.00 0.00 C ATOM 0 H LEU A 51 2.709 6.971 9.727 1.00 0.00 H new ATOM 0 HA LEU A 51 1.044 9.069 8.802 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.095 7.991 7.764 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.294 6.432 7.755 1.00 0.00 H new ATOM 0 HG LEU A 51 2.711 7.879 5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.798 6.619 4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.719 5.589 5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.141 6.248 6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.640 9.010 4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.087 8.864 6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.369 9.860 6.134 1.00 0.00 H new ATOM 794 N ALA A 52 -0.729 6.387 8.985 1.00 0.00 N ATOM 795 CA ALA A 52 -2.125 5.906 9.167 1.00 0.00 C ATOM 796 C ALA A 52 -2.956 6.616 10.239 1.00 0.00 C ATOM 797 O ALA A 52 -4.036 7.096 9.891 1.00 0.00 O ATOM 798 CB ALA A 52 -2.159 4.415 9.213 1.00 0.00 C ATOM 0 H ALA A 52 -0.045 5.665 9.212 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.671 6.217 8.276 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.187 4.078 9.347 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.764 4.013 8.280 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.551 4.063 10.046 1.00 0.00 H new ATOM 804 N LYS A 53 -2.352 6.784 11.461 1.00 0.00 N ATOM 805 CA LYS A 53 -2.838 7.764 12.481 1.00 0.00 C ATOM 806 C LYS A 53 -3.050 9.227 12.030 1.00 0.00 C ATOM 807 O LYS A 53 -4.079 9.863 12.375 1.00 0.00 O ATOM 808 CB LYS A 53 -2.028 7.736 13.776 1.00 0.00 C ATOM 809 CG LYS A 53 -2.148 6.498 14.776 1.00 0.00 C ATOM 810 CD LYS A 53 -1.556 6.751 16.203 1.00 0.00 C ATOM 811 CE LYS A 53 0.004 6.876 16.363 1.00 0.00 C ATOM 812 NZ LYS A 53 0.494 7.310 17.685 1.00 0.00 N ATOM 0 H LYS A 53 -1.532 6.254 11.758 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.843 7.382 12.658 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.977 7.828 13.501 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.289 8.632 14.339 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.200 6.230 14.876 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.641 5.640 14.334 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.002 7.668 16.588 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.890 5.939 16.848 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.450 5.908 16.134 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.369 7.580 15.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.533 7.356 17.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.108 8.250 17.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.187 6.630 18.409 1.00 0.00 H new ATOM 825 N LYS A 54 -2.179 9.742 11.074 1.00 0.00 N ATOM 826 CA LYS A 54 -2.328 10.991 10.365 1.00 0.00 C ATOM 827 C LYS A 54 -3.531 11.174 9.385 1.00 0.00 C ATOM 828 O LYS A 54 -4.032 12.276 9.188 1.00 0.00 O ATOM 829 CB LYS A 54 -0.862 11.443 9.922 1.00 0.00 C ATOM 830 CG LYS A 54 -0.685 12.912 9.527 1.00 0.00 C ATOM 831 CD LYS A 54 0.783 13.207 9.036 1.00 0.00 C ATOM 832 CE LYS A 54 1.788 13.225 10.220 1.00 0.00 C ATOM 833 NZ LYS A 54 3.127 13.178 9.679 1.00 0.00 N ATOM 0 H LYS A 54 -1.334 9.242 10.799 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.736 11.746 11.037 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.177 11.226 10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.556 10.825 9.078 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.392 13.165 8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.919 13.550 10.379 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.085 12.449 8.313 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.809 14.167 8.521 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.652 14.125 10.820 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.614 12.374 10.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.614 12.330 10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.081 13.144 8.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.651 14.026 9.975 1.00 0.00 H new ATOM 846 N PHE A 55 -3.907 10.086 8.675 1.00 0.00 N ATOM 847 CA PHE A 55 -4.608 9.991 7.362 1.00 0.00 C ATOM 848 C PHE A 55 -5.860 8.957 7.445 1.00 0.00 C ATOM 849 O PHE A 55 -5.741 7.776 7.074 1.00 0.00 O ATOM 850 CB PHE A 55 -3.529 9.639 6.314 1.00 0.00 C ATOM 851 CG PHE A 55 -2.931 10.819 5.580 1.00 0.00 C ATOM 852 CD1 PHE A 55 -3.686 11.464 4.594 1.00 0.00 C ATOM 853 CD2 PHE A 55 -1.670 11.295 5.955 1.00 0.00 C ATOM 854 CE1 PHE A 55 -3.211 12.677 4.098 1.00 0.00 C ATOM 855 CE2 PHE A 55 -1.254 12.523 5.409 1.00 0.00 C ATOM 856 CZ PHE A 55 -1.972 13.160 4.450 1.00 0.00 C ATOM 0 H PHE A 55 -3.709 9.154 9.040 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.076 10.930 7.065 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.725 9.097 6.812 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.965 8.960 5.582 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.608 11.035 4.229 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.041 10.742 6.637 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.829 13.250 3.423 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.337 12.971 5.763 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.574 14.040 3.967 1.00 0.00 H new ATOM 866 N PRO A 56 -7.132 9.423 7.810 1.00 0.00 N ATOM 867 CA PRO A 56 -8.485 8.763 7.732 1.00 0.00 C ATOM 868 C PRO A 56 -9.160 8.312 6.338 1.00 0.00 C ATOM 869 O PRO A 56 -9.987 7.442 6.398 1.00 0.00 O ATOM 870 CB PRO A 56 -9.413 9.552 8.648 1.00 0.00 C ATOM 871 CG PRO A 56 -8.854 10.977 8.465 1.00 0.00 C ATOM 872 CD PRO A 56 -7.349 10.838 8.240 1.00 0.00 C ATOM 0 HA PRO A 56 -8.289 7.740 8.052 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.457 9.475 8.344 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.357 9.215 9.683 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.327 11.471 7.617 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.058 11.588 9.344 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.001 11.536 7.479 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.795 11.059 9.152 1.00 0.00 H new ATOM 880 N ASN A 57 -8.964 9.031 5.261 1.00 0.00 N ATOM 881 CA ASN A 57 -9.474 8.686 3.911 1.00 0.00 C ATOM 882 C ASN A 57 -9.040 7.388 3.195 1.00 0.00 C ATOM 883 O ASN A 57 -9.560 7.055 2.088 1.00 0.00 O ATOM 884 CB ASN A 57 -9.504 10.008 3.059 1.00 0.00 C ATOM 885 CG ASN A 57 -8.144 10.408 2.374 1.00 0.00 C ATOM 886 OD1 ASN A 57 -7.697 9.898 1.369 1.00 0.00 O ATOM 887 ND2 ASN A 57 -7.454 11.357 3.015 1.00 0.00 N ATOM 0 H ASN A 57 -8.433 9.902 5.275 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.481 8.299 4.069 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.263 9.902 2.284 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.820 10.828 3.704 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.546 11.656 2.659 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.836 11.782 3.860 1.00 0.00 H new ATOM 894 N VAL A 58 -8.019 6.771 3.773 1.00 0.00 N ATOM 895 CA VAL A 58 -6.986 6.036 2.990 1.00 0.00 C ATOM 896 C VAL A 58 -6.668 4.743 3.789 1.00 0.00 C ATOM 897 O VAL A 58 -5.874 4.760 4.713 1.00 0.00 O ATOM 898 CB VAL A 58 -5.847 6.988 2.570 1.00 0.00 C ATOM 899 CG1 VAL A 58 -5.169 7.749 3.765 1.00 0.00 C ATOM 900 CG2 VAL A 58 -4.753 6.232 1.826 1.00 0.00 C ATOM 0 H VAL A 58 -7.867 6.754 4.782 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.305 5.681 2.010 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.330 7.726 1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.380 8.396 3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.915 8.353 4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.741 7.027 4.460 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.962 6.925 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.341 5.458 2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.173 5.772 0.931 1.00 0.00 H new ATOM 910 N THR A 59 -7.123 3.599 3.299 1.00 0.00 N ATOM 911 CA THR A 59 -6.611 2.260 3.670 1.00 0.00 C ATOM 912 C THR A 59 -5.113 1.983 3.235 1.00 0.00 C ATOM 913 O THR A 59 -4.517 2.741 2.458 1.00 0.00 O ATOM 914 CB THR A 59 -7.622 1.149 3.060 1.00 0.00 C ATOM 915 OG1 THR A 59 -8.773 1.184 3.870 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.229 -0.353 2.848 1.00 0.00 C ATOM 0 H THR A 59 -7.878 3.560 2.614 1.00 0.00 H new ATOM 0 HA THR A 59 -6.582 2.207 4.758 1.00 0.00 H new ATOM 0 HB THR A 59 -7.694 1.466 2.020 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.423 0.528 3.543 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.076 -0.895 2.427 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.383 -0.415 2.164 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.954 -0.796 3.805 1.00 0.00 H new ATOM 924 N PHE A 60 -4.615 1.021 4.001 1.00 0.00 N ATOM 925 CA PHE A 60 -3.194 0.741 3.967 1.00 0.00 C ATOM 926 C PHE A 60 -3.034 -0.741 4.266 1.00 0.00 C ATOM 927 O PHE A 60 -3.472 -1.302 5.280 1.00 0.00 O ATOM 928 CB PHE A 60 -2.306 1.523 4.973 1.00 0.00 C ATOM 929 CG PHE A 60 -2.162 3.050 4.912 1.00 0.00 C ATOM 930 CD1 PHE A 60 -1.309 3.620 3.918 1.00 0.00 C ATOM 931 CD2 PHE A 60 -2.968 3.805 5.707 1.00 0.00 C ATOM 932 CE1 PHE A 60 -1.383 4.982 3.747 1.00 0.00 C ATOM 933 CE2 PHE A 60 -3.023 5.198 5.488 1.00 0.00 C ATOM 934 CZ PHE A 60 -2.221 5.817 4.526 1.00 0.00 C ATOM 0 H PHE A 60 -5.160 0.438 4.636 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.849 1.056 2.982 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.673 1.281 5.971 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.301 1.109 4.894 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.639 3.011 3.330 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.554 3.347 6.490 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.772 5.438 2.981 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.700 5.799 6.077 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.239 6.887 4.382 1.00 0.00 H new ATOM 944 N LEU A 61 -2.331 -1.330 3.364 1.00 0.00 N ATOM 945 CA LEU A 61 -2.220 -2.804 3.257 1.00 0.00 C ATOM 946 C LEU A 61 -0.713 -3.153 2.815 1.00 0.00 C ATOM 947 O LEU A 61 -0.012 -2.409 2.074 1.00 0.00 O ATOM 948 CB LEU A 61 -3.474 -3.511 2.600 1.00 0.00 C ATOM 949 CG LEU A 61 -3.407 -3.764 1.054 1.00 0.00 C ATOM 950 CD1 LEU A 61 -2.844 -5.099 0.785 1.00 0.00 C ATOM 951 CD2 LEU A 61 -4.846 -3.810 0.451 1.00 0.00 C ATOM 0 H LEU A 61 -1.798 -0.826 2.655 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.327 -3.316 4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.623 -4.470 3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.355 -2.904 2.808 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.805 -2.964 0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.801 -5.266 -0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.839 -5.161 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.475 -5.859 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.785 -3.986 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.411 -4.616 0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.348 -2.860 0.635 1.00 0.00 H new ATOM 963 N LYS A 62 -0.257 -4.279 3.291 1.00 0.00 N ATOM 964 CA LYS A 62 1.169 -4.744 3.208 1.00 0.00 C ATOM 965 C LYS A 62 1.032 -6.324 2.866 1.00 0.00 C ATOM 966 O LYS A 62 0.630 -7.170 3.677 1.00 0.00 O ATOM 967 CB LYS A 62 2.271 -4.300 4.266 1.00 0.00 C ATOM 968 CG LYS A 62 2.184 -4.982 5.611 1.00 0.00 C ATOM 969 CD LYS A 62 2.815 -4.201 6.794 1.00 0.00 C ATOM 970 CE LYS A 62 2.501 -4.843 8.144 1.00 0.00 C ATOM 971 NZ LYS A 62 3.146 -3.972 9.175 1.00 0.00 N ATOM 0 H LYS A 62 -0.860 -4.947 3.771 1.00 0.00 H new ATOM 0 HA LYS A 62 1.682 -4.164 2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.257 -4.492 3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.194 -3.223 4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.134 -5.167 5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.671 -5.955 5.539 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.896 -4.152 6.660 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.447 -3.175 6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.425 -4.907 8.305 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.891 -5.860 8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.764 -4.204 10.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.174 -4.131 9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.950 -2.974 8.958 1.00 0.00 H new ATOM 984 N VAL A 63 1.409 -6.560 1.587 1.00 0.00 N ATOM 985 CA VAL A 63 1.593 -7.850 0.896 1.00 0.00 C ATOM 986 C VAL A 63 3.100 -8.294 1.114 1.00 0.00 C ATOM 987 O VAL A 63 4.036 -7.690 0.562 1.00 0.00 O ATOM 988 CB VAL A 63 1.178 -7.819 -0.609 1.00 0.00 C ATOM 989 CG1 VAL A 63 1.539 -9.026 -1.523 1.00 0.00 C ATOM 990 CG2 VAL A 63 -0.263 -7.597 -0.775 1.00 0.00 C ATOM 0 H VAL A 63 1.609 -5.780 0.960 1.00 0.00 H new ATOM 0 HA VAL A 63 0.919 -8.590 1.327 1.00 0.00 H new ATOM 0 HB VAL A 63 1.801 -6.991 -0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.177 -8.838 -2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.621 -9.156 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.072 -9.930 -1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.509 -7.582 -1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.814 -8.401 -0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.538 -6.643 -0.326 1.00 0.00 H new ATOM 1000 N ASP A 64 3.167 -9.586 1.622 1.00 0.00 N ATOM 1001 CA ASP A 64 4.370 -10.444 1.470 1.00 0.00 C ATOM 1002 C ASP A 64 4.406 -10.967 -0.009 1.00 0.00 C ATOM 1003 O ASP A 64 3.588 -11.807 -0.429 1.00 0.00 O ATOM 1004 CB ASP A 64 4.301 -11.508 2.615 1.00 0.00 C ATOM 1005 CG ASP A 64 5.541 -12.444 2.669 1.00 0.00 C ATOM 1006 OD1 ASP A 64 6.605 -12.194 2.178 1.00 0.00 O ATOM 1007 OD2 ASP A 64 5.355 -13.488 3.486 1.00 0.00 O ATOM 0 H ASP A 64 2.402 -10.031 2.130 1.00 0.00 H new ATOM 0 HA ASP A 64 5.329 -9.941 1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.202 -10.995 3.571 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.404 -12.114 2.484 1.00 0.00 H new ATOM 1013 N VAL A 65 5.464 -10.530 -0.768 1.00 0.00 N ATOM 1014 CA VAL A 65 5.919 -11.121 -2.060 1.00 0.00 C ATOM 1015 C VAL A 65 6.221 -12.601 -2.098 1.00 0.00 C ATOM 1016 O VAL A 65 5.813 -13.230 -3.051 1.00 0.00 O ATOM 1017 CB VAL A 65 7.069 -10.187 -2.697 1.00 0.00 C ATOM 1018 CG1 VAL A 65 8.489 -10.733 -2.500 1.00 0.00 C ATOM 1019 CG2 VAL A 65 6.823 -9.893 -4.191 1.00 0.00 C ATOM 0 H VAL A 65 6.035 -9.734 -0.483 1.00 0.00 H new ATOM 0 HA VAL A 65 5.040 -11.115 -2.705 1.00 0.00 H new ATOM 0 HB VAL A 65 7.002 -9.253 -2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.207 -10.051 -2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.699 -10.824 -1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.571 -11.713 -2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.624 -9.261 -4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.802 -10.830 -4.748 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.868 -9.380 -4.309 1.00 0.00 H new ATOM 1029 N ASP A 66 6.921 -13.070 -1.073 1.00 0.00 N ATOM 1030 CA ASP A 66 7.160 -14.578 -0.851 1.00 0.00 C ATOM 1031 C ASP A 66 5.864 -15.488 -0.888 1.00 0.00 C ATOM 1032 O ASP A 66 5.908 -16.564 -1.474 1.00 0.00 O ATOM 1033 CB ASP A 66 7.994 -14.822 0.411 1.00 0.00 C ATOM 1034 CG ASP A 66 9.546 -14.521 0.467 1.00 0.00 C ATOM 1035 OD1 ASP A 66 10.150 -14.182 -0.570 1.00 0.00 O ATOM 1036 OD2 ASP A 66 10.081 -14.746 1.743 1.00 0.00 O ATOM 0 H ASP A 66 7.348 -12.474 -0.364 1.00 0.00 H new ATOM 0 HA ASP A 66 7.729 -14.901 -1.722 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.533 -14.240 1.209 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.869 -15.873 0.671 1.00 0.00 H new ATOM 1042 N GLU A 67 4.722 -15.008 -0.267 1.00 0.00 N ATOM 1043 CA GLU A 67 3.298 -15.411 -0.586 1.00 0.00 C ATOM 1044 C GLU A 67 2.678 -15.094 -2.020 1.00 0.00 C ATOM 1045 O GLU A 67 1.943 -15.975 -2.503 1.00 0.00 O ATOM 1046 CB GLU A 67 2.283 -14.997 0.491 1.00 0.00 C ATOM 1047 CG GLU A 67 2.065 -15.984 1.589 1.00 0.00 C ATOM 1048 CD GLU A 67 3.096 -15.742 2.747 1.00 0.00 C ATOM 1049 OE1 GLU A 67 2.805 -15.180 3.808 1.00 0.00 O ATOM 1050 OE2 GLU A 67 4.358 -16.111 2.366 1.00 0.00 O ATOM 0 H GLU A 67 4.770 -14.318 0.482 1.00 0.00 H new ATOM 0 HA GLU A 67 3.458 -16.489 -0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.613 -14.057 0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.326 -14.803 0.007 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.049 -15.894 1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.172 -16.998 1.203 1.00 0.00 H new ATOM 1058 N LEU A 68 2.808 -13.865 -2.568 1.00 0.00 N ATOM 1059 CA LEU A 68 2.020 -13.290 -3.696 1.00 0.00 C ATOM 1060 C LEU A 68 2.917 -12.348 -4.637 1.00 0.00 C ATOM 1061 O LEU A 68 2.815 -11.121 -4.928 1.00 0.00 O ATOM 1062 CB LEU A 68 0.838 -12.410 -3.079 1.00 0.00 C ATOM 1063 CG LEU A 68 -0.390 -12.990 -2.434 1.00 0.00 C ATOM 1064 CD1 LEU A 68 -1.251 -11.860 -1.948 1.00 0.00 C ATOM 1065 CD2 LEU A 68 -1.174 -13.935 -3.312 1.00 0.00 C ATOM 0 H LEU A 68 3.504 -13.205 -2.219 1.00 0.00 H new ATOM 0 HA LEU A 68 1.641 -14.111 -4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.298 -11.762 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.484 -11.767 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.056 -13.610 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.148 -12.262 -1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.696 -11.265 -1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.536 -11.231 -2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.042 -14.304 -2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.506 -13.409 -4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.541 -14.775 -3.598 1.00 0.00 H new ATOM 1077 N LYS A 69 3.866 -13.072 -5.204 1.00 0.00 N ATOM 1078 CA LYS A 69 4.772 -12.661 -6.307 1.00 0.00 C ATOM 1079 C LYS A 69 4.161 -12.384 -7.730 1.00 0.00 C ATOM 1080 O LYS A 69 4.346 -11.284 -8.293 1.00 0.00 O ATOM 1081 CB LYS A 69 6.072 -13.527 -6.401 1.00 0.00 C ATOM 1082 CG LYS A 69 6.022 -15.019 -6.739 1.00 0.00 C ATOM 1083 CD LYS A 69 7.364 -15.723 -6.610 1.00 0.00 C ATOM 1084 CE LYS A 69 7.304 -17.180 -6.984 1.00 0.00 C ATOM 1085 NZ LYS A 69 8.671 -17.784 -7.129 1.00 0.00 N ATOM 0 H LYS A 69 4.051 -14.028 -4.900 1.00 0.00 H new ATOM 0 HA LYS A 69 5.029 -11.658 -5.966 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.712 -13.056 -7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.581 -13.438 -5.441 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.302 -15.507 -6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.656 -15.139 -7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.094 -15.221 -7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.718 -15.632 -5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.746 -17.726 -6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.758 -17.291 -7.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.582 -18.788 -7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.196 -17.281 -7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.184 -17.703 -6.228 1.00 0.00 H new ATOM 1098 N ALA A 70 3.315 -13.362 -8.133 1.00 0.00 N ATOM 1099 CA ALA A 70 2.498 -13.209 -9.385 1.00 0.00 C ATOM 1100 C ALA A 70 1.601 -11.987 -9.524 1.00 0.00 C ATOM 1101 O ALA A 70 1.812 -11.164 -10.382 1.00 0.00 O ATOM 1102 CB ALA A 70 1.639 -14.445 -9.653 1.00 0.00 C ATOM 0 H ALA A 70 3.174 -14.242 -7.636 1.00 0.00 H new ATOM 0 HA ALA A 70 3.289 -13.069 -10.122 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.063 -14.297 -10.566 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.282 -15.317 -9.768 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.958 -14.603 -8.816 1.00 0.00 H new ATOM 1108 N VAL A 71 0.666 -11.862 -8.593 1.00 0.00 N ATOM 1109 CA VAL A 71 -0.163 -10.649 -8.404 1.00 0.00 C ATOM 1110 C VAL A 71 0.660 -9.338 -8.140 1.00 0.00 C ATOM 1111 O VAL A 71 0.332 -8.334 -8.781 1.00 0.00 O ATOM 1112 CB VAL A 71 -1.377 -10.788 -7.551 1.00 0.00 C ATOM 1113 CG1 VAL A 71 -0.988 -11.013 -6.155 1.00 0.00 C ATOM 1114 CG2 VAL A 71 -2.434 -9.652 -7.692 1.00 0.00 C ATOM 0 H VAL A 71 0.448 -12.605 -7.929 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.598 -10.524 -9.395 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.903 -11.664 -7.930 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.882 -11.113 -5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.395 -11.925 -6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.397 -10.168 -5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.275 -9.853 -7.028 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.980 -8.698 -7.425 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.788 -9.610 -8.722 1.00 0.00 H new ATOM 1124 N ALA A 72 1.600 -9.208 -7.258 1.00 0.00 N ATOM 1125 CA ALA A 72 2.461 -7.975 -7.185 1.00 0.00 C ATOM 1126 C ALA A 72 3.104 -7.437 -8.506 1.00 0.00 C ATOM 1127 O ALA A 72 2.850 -6.384 -9.030 1.00 0.00 O ATOM 1128 CB ALA A 72 3.629 -8.222 -6.245 1.00 0.00 C ATOM 0 H ALA A 72 1.824 -9.917 -6.560 1.00 0.00 H new ATOM 0 HA ALA A 72 1.743 -7.222 -6.861 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.250 -7.328 -6.194 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.252 -8.459 -5.250 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.224 -9.057 -6.615 1.00 0.00 H new ATOM 1134 N GLU A 73 3.708 -8.405 -9.222 1.00 0.00 N ATOM 1135 CA GLU A 73 4.211 -8.257 -10.619 1.00 0.00 C ATOM 1136 C GLU A 73 3.155 -7.707 -11.553 1.00 0.00 C ATOM 1137 O GLU A 73 3.393 -6.642 -12.162 1.00 0.00 O ATOM 1138 CB GLU A 73 4.804 -9.627 -10.936 1.00 0.00 C ATOM 1139 CG GLU A 73 6.241 -9.995 -10.408 1.00 0.00 C ATOM 1140 CD GLU A 73 6.707 -11.343 -11.095 1.00 0.00 C ATOM 1141 OE1 GLU A 73 6.051 -12.387 -11.176 1.00 0.00 O ATOM 1142 OE2 GLU A 73 7.968 -11.264 -11.675 1.00 0.00 O ATOM 0 H GLU A 73 3.868 -9.339 -8.843 1.00 0.00 H new ATOM 0 HA GLU A 73 4.984 -7.500 -10.752 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.114 -10.378 -10.552 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.818 -9.733 -12.021 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.943 -9.193 -10.635 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.227 -10.109 -9.324 1.00 0.00 H new ATOM 1150 N GLU A 74 1.931 -8.327 -11.558 1.00 0.00 N ATOM 1151 CA GLU A 74 0.734 -7.801 -12.332 1.00 0.00 C ATOM 1152 C GLU A 74 0.354 -6.284 -12.209 1.00 0.00 C ATOM 1153 O GLU A 74 0.259 -5.663 -13.266 1.00 0.00 O ATOM 1154 CB GLU A 74 -0.381 -8.858 -12.384 1.00 0.00 C ATOM 1155 CG GLU A 74 -1.679 -8.549 -11.539 1.00 0.00 C ATOM 1156 CD GLU A 74 -2.917 -9.406 -11.860 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -3.068 -10.622 -11.557 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -3.866 -8.749 -12.646 1.00 0.00 O ATOM 0 H GLU A 74 1.739 -9.185 -11.042 1.00 0.00 H new ATOM 0 HA GLU A 74 1.068 -7.677 -13.362 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.675 -8.994 -13.425 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.032 -9.807 -12.042 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.439 -8.675 -10.483 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.941 -7.501 -11.683 1.00 0.00 H new ATOM 1166 N TRP A 75 0.138 -5.808 -10.978 1.00 0.00 N ATOM 1167 CA TRP A 75 -0.183 -4.370 -10.631 1.00 0.00 C ATOM 1168 C TRP A 75 0.897 -3.438 -11.189 1.00 0.00 C ATOM 1169 O TRP A 75 0.613 -2.537 -11.963 1.00 0.00 O ATOM 1170 CB TRP A 75 -0.382 -4.153 -9.019 1.00 0.00 C ATOM 1171 CG TRP A 75 -1.573 -4.886 -8.275 1.00 0.00 C ATOM 1172 CD1 TRP A 75 -1.259 -5.821 -7.233 1.00 0.00 C ATOM 1173 CD2 TRP A 75 -2.850 -5.122 -8.622 1.00 0.00 C ATOM 1174 NE1 TRP A 75 -2.357 -6.476 -6.739 1.00 0.00 N ATOM 1175 CE2 TRP A 75 -3.315 -6.144 -7.718 1.00 0.00 C ATOM 1176 CE3 TRP A 75 -3.571 -4.778 -9.795 1.00 0.00 C ATOM 1177 CZ2 TRP A 75 -4.480 -6.890 -8.039 1.00 0.00 C ATOM 1178 CZ3 TRP A 75 -4.676 -5.576 -10.140 1.00 0.00 C ATOM 1179 CH2 TRP A 75 -5.142 -6.556 -9.252 1.00 0.00 C ATOM 0 H TRP A 75 0.177 -6.408 -10.154 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.135 -4.120 -11.098 1.00 0.00 H new ATOM 0 HB2 TRP A 75 0.544 -4.457 -8.532 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.497 -3.083 -8.845 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -0.255 -5.992 -6.873 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -2.454 -7.045 -5.898 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -3.281 -3.933 -10.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -4.846 -7.674 -7.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -5.167 -5.434 -11.091 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -6.050 -7.084 -9.502 1.00 0.00 H new ATOM 1190 N ASN A 76 2.169 -3.756 -10.913 1.00 0.00 N ATOM 1191 CA ASN A 76 3.347 -3.400 -11.675 1.00 0.00 C ATOM 1192 C ASN A 76 4.526 -3.310 -10.683 1.00 0.00 C ATOM 1193 O ASN A 76 4.896 -2.187 -10.238 1.00 0.00 O ATOM 1194 CB ASN A 76 3.334 -2.292 -12.796 1.00 0.00 C ATOM 1195 CG ASN A 76 4.609 -2.289 -13.754 1.00 0.00 C ATOM 1196 OD1 ASN A 76 4.669 -3.095 -14.671 1.00 0.00 O ATOM 1197 ND2 ASN A 76 5.558 -1.463 -13.495 1.00 0.00 N ATOM 0 H ASN A 76 2.406 -4.309 -10.089 1.00 0.00 H new ATOM 0 HA ASN A 76 3.439 -4.212 -12.397 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.440 -2.424 -13.406 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.254 -1.315 -12.319 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.404 -1.463 -14.065 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.466 -0.807 -12.719 1.00 0.00 H new ATOM 1204 N VAL A 77 5.202 -4.452 -10.450 1.00 0.00 N ATOM 1205 CA VAL A 77 6.164 -4.637 -9.327 1.00 0.00 C ATOM 1206 C VAL A 77 7.219 -5.686 -10.037 1.00 0.00 C ATOM 1207 O VAL A 77 7.315 -6.886 -9.773 1.00 0.00 O ATOM 1208 CB VAL A 77 5.626 -5.148 -7.963 1.00 0.00 C ATOM 1209 CG1 VAL A 77 6.706 -5.516 -6.903 1.00 0.00 C ATOM 1210 CG2 VAL A 77 4.480 -4.322 -7.267 1.00 0.00 C ATOM 0 H VAL A 77 5.101 -5.282 -11.035 1.00 0.00 H new ATOM 0 HA VAL A 77 6.563 -3.684 -8.980 1.00 0.00 H new ATOM 0 HB VAL A 77 5.162 -6.065 -8.326 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.218 -5.860 -5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.345 -6.308 -7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.312 -4.638 -6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.208 -4.799 -6.325 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.829 -3.308 -7.073 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.608 -4.287 -7.921 1.00 0.00 H new ATOM 1220 N GLU A 78 8.132 -5.047 -10.781 1.00 0.00 N ATOM 1221 CA GLU A 78 9.447 -5.504 -11.080 1.00 0.00 C ATOM 1222 C GLU A 78 10.591 -5.301 -10.044 1.00 0.00 C ATOM 1223 O GLU A 78 11.788 -5.371 -10.351 1.00 0.00 O ATOM 1224 CB GLU A 78 9.732 -4.807 -12.464 1.00 0.00 C ATOM 1225 CG GLU A 78 10.004 -3.272 -12.344 1.00 0.00 C ATOM 1226 CD GLU A 78 9.558 -2.377 -13.525 1.00 0.00 C ATOM 1227 OE1 GLU A 78 9.014 -2.836 -14.534 1.00 0.00 O ATOM 1228 OE2 GLU A 78 9.894 -1.101 -13.409 1.00 0.00 O ATOM 0 H GLU A 78 7.934 -4.141 -11.206 1.00 0.00 H new ATOM 0 HA GLU A 78 9.456 -6.594 -11.076 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.592 -5.285 -12.932 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.880 -4.967 -13.125 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.509 -2.911 -11.442 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.075 -3.130 -12.199 1.00 0.00 H new ATOM 1236 N ALA A 79 10.293 -4.823 -8.791 1.00 0.00 N ATOM 1237 CA ALA A 79 11.333 -4.426 -7.820 1.00 0.00 C ATOM 1238 C ALA A 79 10.808 -4.301 -6.232 1.00 0.00 C ATOM 1239 O ALA A 79 9.742 -3.767 -6.001 1.00 0.00 O ATOM 1240 CB ALA A 79 11.867 -3.093 -8.210 1.00 0.00 C ATOM 0 H ALA A 79 9.340 -4.709 -8.445 1.00 0.00 H new ATOM 0 HA ALA A 79 12.078 -5.221 -7.851 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.636 -2.788 -7.501 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.298 -3.152 -9.210 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.059 -2.362 -8.206 1.00 0.00 H new ATOM 1246 N MET A 80 11.597 -4.914 -5.399 1.00 0.00 N ATOM 1247 CA MET A 80 11.564 -4.717 -3.928 1.00 0.00 C ATOM 1248 C MET A 80 12.221 -3.315 -3.473 1.00 0.00 C ATOM 1249 O MET A 80 13.457 -3.288 -3.641 1.00 0.00 O ATOM 1250 CB MET A 80 12.305 -5.987 -3.257 1.00 0.00 C ATOM 1251 CG MET A 80 11.321 -6.964 -2.563 1.00 0.00 C ATOM 1252 SD MET A 80 10.260 -7.780 -3.753 1.00 0.00 S ATOM 1253 CE MET A 80 8.787 -6.765 -3.853 1.00 0.00 C ATOM 0 H MET A 80 12.305 -5.583 -5.701 1.00 0.00 H new ATOM 0 HA MET A 80 10.531 -4.659 -3.586 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.861 -6.524 -4.025 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.032 -5.632 -2.527 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.883 -7.711 -2.002 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.711 -6.418 -1.844 1.00 0.00 H new ATOM 0 HE1 MET A 80 7.914 -7.365 -3.598 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.871 -5.932 -3.155 1.00 0.00 H new ATOM 0 HE3 MET A 80 8.679 -6.379 -4.867 1.00 0.00 H new ATOM 1263 N PRO A 81 11.485 -2.272 -2.909 1.00 0.00 N ATOM 1264 CA PRO A 81 9.987 -2.374 -2.788 1.00 0.00 C ATOM 1265 C PRO A 81 9.060 -1.102 -2.824 1.00 0.00 C ATOM 1266 O PRO A 81 9.503 0.045 -2.585 1.00 0.00 O ATOM 1267 CB PRO A 81 10.003 -2.742 -1.294 1.00 0.00 C ATOM 1268 CG PRO A 81 11.171 -2.141 -0.570 1.00 0.00 C ATOM 1269 CD PRO A 81 12.063 -1.610 -1.703 1.00 0.00 C ATOM 0 HA PRO A 81 9.594 -2.975 -3.608 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.077 -2.403 -0.829 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.033 -3.827 -1.190 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.858 -1.342 0.102 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.692 -2.882 0.036 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.020 -0.523 -1.777 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.109 -1.878 -1.555 1.00 0.00 H new ATOM 1277 N THR A 82 7.959 -1.433 -3.441 1.00 0.00 N ATOM 1278 CA THR A 82 7.049 -0.591 -4.337 1.00 0.00 C ATOM 1279 C THR A 82 5.688 -0.481 -3.628 1.00 0.00 C ATOM 1280 O THR A 82 5.074 -1.386 -2.954 1.00 0.00 O ATOM 1281 CB THR A 82 6.865 -1.258 -5.751 1.00 0.00 C ATOM 1282 OG1 THR A 82 8.019 -1.661 -6.454 1.00 0.00 O ATOM 1283 CG2 THR A 82 6.062 -0.466 -6.777 1.00 0.00 C ATOM 0 H THR A 82 7.596 -2.382 -3.354 1.00 0.00 H new ATOM 0 HA THR A 82 7.492 0.392 -4.499 1.00 0.00 H new ATOM 0 HB THR A 82 6.322 -2.131 -5.388 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.384 -2.473 -6.045 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.006 -1.029 -7.709 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.055 -0.293 -6.396 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.550 0.491 -6.961 1.00 0.00 H new ATOM 1291 N PHE A 83 5.311 0.785 -3.735 1.00 0.00 N ATOM 1292 CA PHE A 83 4.189 1.492 -3.059 1.00 0.00 C ATOM 1293 C PHE A 83 3.352 1.976 -4.263 1.00 0.00 C ATOM 1294 O PHE A 83 3.786 2.690 -5.174 1.00 0.00 O ATOM 1295 CB PHE A 83 4.729 2.700 -2.221 1.00 0.00 C ATOM 1296 CG PHE A 83 5.311 2.198 -0.906 1.00 0.00 C ATOM 1297 CD1 PHE A 83 6.570 1.576 -1.010 1.00 0.00 C ATOM 1298 CD2 PHE A 83 4.538 2.065 0.264 1.00 0.00 C ATOM 1299 CE1 PHE A 83 7.069 0.995 0.147 1.00 0.00 C ATOM 1300 CE2 PHE A 83 5.006 1.381 1.391 1.00 0.00 C ATOM 1301 CZ PHE A 83 6.335 0.945 1.363 1.00 0.00 C ATOM 0 H PHE A 83 5.820 1.419 -4.351 1.00 0.00 H new ATOM 0 HA PHE A 83 3.628 0.878 -2.355 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.493 3.234 -2.787 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.923 3.408 -2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.118 1.552 -1.940 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.552 2.505 0.292 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.058 0.562 0.122 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.370 1.198 2.244 1.00 0.00 H new ATOM 0 HZ PHE A 83 6.802 0.572 2.263 1.00 0.00 H new ATOM 1311 N ILE A 84 2.122 1.478 -4.350 1.00 0.00 N ATOM 1312 CA ILE A 84 1.151 1.467 -5.443 1.00 0.00 C ATOM 1313 C ILE A 84 -0.143 2.052 -4.868 1.00 0.00 C ATOM 1314 O ILE A 84 -0.700 1.830 -3.783 1.00 0.00 O ATOM 1315 CB ILE A 84 1.062 0.100 -6.259 1.00 0.00 C ATOM 1316 CG1 ILE A 84 2.248 0.083 -7.224 1.00 0.00 C ATOM 1317 CG2 ILE A 84 -0.271 -0.255 -6.895 1.00 0.00 C ATOM 1318 CD1 ILE A 84 2.721 -1.308 -7.644 1.00 0.00 C ATOM 0 H ILE A 84 1.727 1.005 -3.538 1.00 0.00 H new ATOM 0 HA ILE A 84 1.471 2.101 -6.270 1.00 0.00 H new ATOM 0 HB ILE A 84 1.124 -0.718 -5.541 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.977 0.643 -8.119 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.082 0.609 -6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.183 -1.209 -7.416 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.034 -0.333 -6.121 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.553 0.522 -7.606 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.565 -1.214 -8.328 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.029 -1.869 -6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.907 -1.834 -8.142 1.00 0.00 H new ATOM 1330 N PHE A 85 -0.666 2.925 -5.732 1.00 0.00 N ATOM 1331 CA PHE A 85 -1.695 3.964 -5.494 1.00 0.00 C ATOM 1332 C PHE A 85 -2.862 3.653 -6.503 1.00 0.00 C ATOM 1333 O PHE A 85 -2.774 3.648 -7.750 1.00 0.00 O ATOM 1334 CB PHE A 85 -1.053 5.349 -5.619 1.00 0.00 C ATOM 1335 CG PHE A 85 -0.084 5.923 -4.561 1.00 0.00 C ATOM 1336 CD1 PHE A 85 1.205 5.372 -4.405 1.00 0.00 C ATOM 1337 CD2 PHE A 85 -0.541 6.876 -3.594 1.00 0.00 C ATOM 1338 CE1 PHE A 85 1.940 5.737 -3.327 1.00 0.00 C ATOM 1339 CE2 PHE A 85 0.350 7.346 -2.652 1.00 0.00 C ATOM 1340 CZ PHE A 85 1.580 6.704 -2.427 1.00 0.00 C ATOM 0 H PHE A 85 -0.359 2.931 -6.705 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.118 3.958 -4.490 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.516 5.357 -6.568 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.872 6.063 -5.709 1.00 0.00 H new ATOM 0 HD1 PHE A 85 1.598 4.674 -5.130 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.565 7.220 -3.602 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.879 5.228 -3.166 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.098 8.224 -2.076 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.209 6.960 -1.587 1.00 0.00 H new ATOM 1350 N LEU A 86 -3.926 3.180 -5.851 1.00 0.00 N ATOM 1351 CA LEU A 86 -5.096 2.618 -6.433 1.00 0.00 C ATOM 1352 C LEU A 86 -6.283 3.235 -5.619 1.00 0.00 C ATOM 1353 O LEU A 86 -6.407 3.327 -4.390 1.00 0.00 O ATOM 1354 CB LEU A 86 -4.984 1.002 -6.214 1.00 0.00 C ATOM 1355 CG LEU A 86 -5.738 0.078 -7.135 1.00 0.00 C ATOM 1356 CD1 LEU A 86 -7.217 0.259 -7.350 1.00 0.00 C ATOM 1357 CD2 LEU A 86 -4.952 -0.181 -8.448 1.00 0.00 C ATOM 0 H LEU A 86 -3.973 3.191 -4.832 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.229 2.818 -7.496 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.929 0.736 -6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.309 0.786 -5.196 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.777 -0.828 -6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.579 -0.500 -8.044 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.738 0.159 -6.398 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.406 1.249 -7.764 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.525 -0.851 -9.089 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.788 0.764 -8.966 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.991 -0.638 -8.213 1.00 0.00 H new ATOM 1369 N LYS A 87 -7.237 3.697 -6.433 1.00 0.00 N ATOM 1370 CA LYS A 87 -8.395 4.555 -6.043 1.00 0.00 C ATOM 1371 C LYS A 87 -9.738 4.030 -6.681 1.00 0.00 C ATOM 1372 O LYS A 87 -9.774 3.154 -7.553 1.00 0.00 O ATOM 1373 CB LYS A 87 -7.984 6.029 -6.377 1.00 0.00 C ATOM 1374 CG LYS A 87 -8.636 7.039 -5.422 1.00 0.00 C ATOM 1375 CD LYS A 87 -8.127 8.452 -5.543 1.00 0.00 C ATOM 1376 CE LYS A 87 -8.769 9.538 -4.693 1.00 0.00 C ATOM 1377 NZ LYS A 87 -7.939 10.800 -4.538 1.00 0.00 N ATOM 0 H LYS A 87 -7.237 3.482 -7.430 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.621 4.514 -4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.900 6.125 -6.320 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.271 6.262 -7.402 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.712 7.040 -5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.481 6.700 -4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.062 8.440 -5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.224 8.749 -6.587 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.730 9.804 -5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.974 9.131 -3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.453 11.483 -3.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.031 10.565 -4.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.764 11.217 -5.474 1.00 0.00 H new ATOM 1390 N ASP A 88 -10.869 4.678 -6.284 1.00 0.00 N ATOM 1391 CA ASP A 88 -12.018 4.767 -7.136 1.00 0.00 C ATOM 1392 C ASP A 88 -11.907 5.425 -8.568 1.00 0.00 C ATOM 1393 O ASP A 88 -12.871 6.082 -9.062 1.00 0.00 O ATOM 1394 CB ASP A 88 -13.259 5.212 -6.314 1.00 0.00 C ATOM 1395 CG ASP A 88 -13.281 6.679 -5.882 1.00 0.00 C ATOM 1396 OD1 ASP A 88 -13.928 7.547 -6.516 1.00 0.00 O ATOM 1397 OD2 ASP A 88 -12.513 6.980 -4.801 1.00 0.00 O ATOM 0 H ASP A 88 -10.978 5.134 -5.378 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.135 3.741 -7.484 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.153 5.014 -6.905 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.322 4.589 -5.422 1.00 0.00 H new ATOM 1403 N GLY A 89 -10.849 5.059 -9.301 1.00 0.00 N ATOM 1404 CA GLY A 89 -10.572 5.453 -10.684 1.00 0.00 C ATOM 1405 C GLY A 89 -9.253 4.728 -11.207 1.00 0.00 C ATOM 1406 O GLY A 89 -8.343 5.381 -11.789 1.00 0.00 O ATOM 0 H GLY A 89 -10.125 4.447 -8.923 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.417 5.191 -11.321 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.450 6.534 -10.745 1.00 0.00 H new ATOM 1410 N LYS A 90 -9.210 3.314 -11.026 1.00 0.00 N ATOM 1411 CA LYS A 90 -8.102 2.338 -11.341 1.00 0.00 C ATOM 1412 C LYS A 90 -6.675 2.781 -10.762 1.00 0.00 C ATOM 1413 O LYS A 90 -6.553 3.436 -9.706 1.00 0.00 O ATOM 1414 CB LYS A 90 -8.177 1.935 -12.842 1.00 0.00 C ATOM 1415 CG LYS A 90 -8.851 0.563 -12.942 1.00 0.00 C ATOM 1416 CD LYS A 90 -8.983 -0.172 -14.339 1.00 0.00 C ATOM 1417 CE LYS A 90 -9.670 0.634 -15.418 1.00 0.00 C ATOM 1418 NZ LYS A 90 -9.658 0.020 -16.736 1.00 0.00 N ATOM 0 H LYS A 90 -10.015 2.828 -10.630 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.254 1.410 -10.789 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.742 2.677 -13.406 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.177 1.899 -13.275 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.311 -0.109 -12.275 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.858 0.670 -12.539 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.986 -0.443 -14.687 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.533 -1.102 -14.194 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.705 0.805 -15.121 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.191 1.611 -15.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.149 0.639 -17.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.675 -0.119 -17.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.141 -0.900 -16.695 1.00 0.00 H new ATOM 1431 N LEU A 91 -5.541 2.280 -11.346 1.00 0.00 N ATOM 1432 CA LEU A 91 -4.167 2.690 -11.045 1.00 0.00 C ATOM 1433 C LEU A 91 -4.012 4.261 -11.378 1.00 0.00 C ATOM 1434 O LEU A 91 -3.822 4.703 -12.514 1.00 0.00 O ATOM 1435 CB LEU A 91 -3.136 1.747 -11.766 1.00 0.00 C ATOM 1436 CG LEU A 91 -1.615 1.935 -11.509 1.00 0.00 C ATOM 1437 CD1 LEU A 91 -0.984 1.412 -10.183 1.00 0.00 C ATOM 1438 CD2 LEU A 91 -0.708 1.486 -12.595 1.00 0.00 C ATOM 0 H LEU A 91 -5.582 1.555 -12.062 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.940 2.575 -9.985 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.388 0.721 -11.497 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.300 1.844 -12.839 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.668 3.022 -11.443 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.084 1.630 -10.177 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.459 1.905 -9.335 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.135 0.335 -10.108 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.327 1.667 -12.303 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.854 0.421 -12.774 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.930 2.040 -13.507 1.00 0.00 H new ATOM 1450 N VAL A 92 -3.973 4.992 -10.279 1.00 0.00 N ATOM 1451 CA VAL A 92 -3.543 6.411 -10.123 1.00 0.00 C ATOM 1452 C VAL A 92 -1.997 6.699 -10.144 1.00 0.00 C ATOM 1453 O VAL A 92 -1.655 7.605 -10.974 1.00 0.00 O ATOM 1454 CB VAL A 92 -4.345 7.177 -9.034 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -5.854 7.330 -9.249 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -4.112 6.715 -7.511 1.00 0.00 C ATOM 0 H VAL A 92 -4.261 4.595 -9.385 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.834 6.860 -11.072 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.881 8.151 -9.186 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.286 7.883 -8.415 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.036 7.872 -10.177 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.315 6.344 -9.308 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.726 7.324 -6.848 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.390 5.667 -7.402 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.061 6.841 -7.249 1.00 0.00 H new ATOM 1466 N ASP A 93 -1.128 5.941 -9.491 1.00 0.00 N ATOM 1467 CA ASP A 93 0.336 6.253 -9.444 1.00 0.00 C ATOM 1468 C ASP A 93 1.173 5.098 -8.812 1.00 0.00 C ATOM 1469 O ASP A 93 0.574 4.077 -8.350 1.00 0.00 O ATOM 1470 CB ASP A 93 0.520 7.613 -8.737 1.00 0.00 C ATOM 1471 CG ASP A 93 1.788 8.437 -8.962 1.00 0.00 C ATOM 1472 OD1 ASP A 93 2.828 8.301 -8.416 1.00 0.00 O ATOM 1473 OD2 ASP A 93 1.541 9.265 -10.039 1.00 0.00 O ATOM 0 H ASP A 93 -1.389 5.099 -8.978 1.00 0.00 H new ATOM 0 HA ASP A 93 0.728 6.336 -10.458 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.326 8.240 -9.019 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.439 7.432 -7.665 1.00 0.00 H new ATOM 1479 N LYS A 94 2.493 5.200 -8.924 1.00 0.00 N ATOM 1480 CA LYS A 94 3.478 4.158 -8.447 1.00 0.00 C ATOM 1481 C LYS A 94 4.918 4.865 -8.246 1.00 0.00 C ATOM 1482 O LYS A 94 5.456 5.660 -9.054 1.00 0.00 O ATOM 1483 CB LYS A 94 3.498 2.995 -9.432 1.00 0.00 C ATOM 1484 CG LYS A 94 4.089 3.149 -10.855 1.00 0.00 C ATOM 1485 CD LYS A 94 3.977 1.781 -11.640 1.00 0.00 C ATOM 1486 CE LYS A 94 4.223 1.706 -13.167 1.00 0.00 C ATOM 1487 NZ LYS A 94 3.260 2.570 -13.860 1.00 0.00 N ATOM 0 H LYS A 94 2.944 6.009 -9.350 1.00 0.00 H new ATOM 0 HA LYS A 94 3.188 3.739 -7.483 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.040 2.181 -8.950 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.467 2.664 -9.552 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.557 3.932 -11.395 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.133 3.457 -10.793 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.676 1.088 -11.171 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.974 1.393 -11.460 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.241 2.019 -13.398 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.120 0.677 -13.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.424 2.520 -14.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.293 2.251 -13.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.379 3.551 -13.537 1.00 0.00 H new ATOM 1500 N THR A 95 5.478 4.346 -7.098 1.00 0.00 N ATOM 1501 CA THR A 95 6.786 4.845 -6.586 1.00 0.00 C ATOM 1502 C THR A 95 7.396 3.656 -5.750 1.00 0.00 C ATOM 1503 O THR A 95 6.671 2.883 -5.154 1.00 0.00 O ATOM 1504 CB THR A 95 6.585 6.140 -5.762 1.00 0.00 C ATOM 1505 OG1 THR A 95 5.994 7.141 -6.584 1.00 0.00 O ATOM 1506 CG2 THR A 95 7.826 6.772 -5.129 1.00 0.00 C ATOM 0 H THR A 95 5.054 3.609 -6.535 1.00 0.00 H new ATOM 0 HA THR A 95 7.474 5.125 -7.384 1.00 0.00 H new ATOM 0 HB THR A 95 5.959 5.807 -4.934 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.866 7.960 -6.061 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.538 7.670 -4.583 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.286 6.062 -4.442 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.539 7.035 -5.910 1.00 0.00 H new ATOM 1514 N VAL A 96 8.723 3.679 -5.708 1.00 0.00 N ATOM 1515 CA VAL A 96 9.529 2.541 -5.274 1.00 0.00 C ATOM 1516 C VAL A 96 10.812 3.021 -4.521 1.00 0.00 C ATOM 1517 O VAL A 96 11.733 3.625 -5.119 1.00 0.00 O ATOM 1518 CB VAL A 96 9.741 1.525 -6.450 1.00 0.00 C ATOM 1519 CG1 VAL A 96 10.299 2.127 -7.840 1.00 0.00 C ATOM 1520 CG2 VAL A 96 10.532 0.243 -6.141 1.00 0.00 C ATOM 0 H VAL A 96 9.275 4.494 -5.976 1.00 0.00 H new ATOM 0 HA VAL A 96 8.993 1.959 -4.524 1.00 0.00 H new ATOM 0 HB VAL A 96 8.693 1.255 -6.580 1.00 0.00 H new ATOM 0 HG11 VAL A 96 10.401 1.324 -8.570 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.602 2.875 -8.219 1.00 0.00 H new ATOM 0 HG13 VAL A 96 11.271 2.590 -7.672 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.602 -0.367 -7.042 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.534 0.506 -5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.021 -0.320 -5.360 1.00 0.00 H new ATOM 1530 N GLY A 97 10.724 2.894 -3.152 1.00 0.00 N ATOM 1531 CA GLY A 97 11.863 3.439 -2.337 1.00 0.00 C ATOM 1532 C GLY A 97 11.786 2.991 -0.891 1.00 0.00 C ATOM 1533 O GLY A 97 11.234 1.859 -0.621 1.00 0.00 O ATOM 0 H GLY A 97 9.958 2.464 -2.634 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.808 3.111 -2.769 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.853 4.528 -2.381 1.00 0.00 H new ATOM 1537 N ALA A 98 12.128 3.888 0.076 1.00 0.00 N ATOM 1538 CA ALA A 98 11.887 3.696 1.569 1.00 0.00 C ATOM 1539 C ALA A 98 12.536 4.984 2.122 1.00 0.00 C ATOM 1540 O ALA A 98 13.691 5.378 1.955 1.00 0.00 O ATOM 1541 CB ALA A 98 12.360 2.362 2.244 1.00 0.00 C ATOM 0 H ALA A 98 12.582 4.775 -0.141 1.00 0.00 H new ATOM 0 HA ALA A 98 10.830 3.565 1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.114 2.384 3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.857 1.518 1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.438 2.255 2.123 1.00 0.00 H new ATOM 1547 N ASP A 99 11.607 5.835 2.716 1.00 0.00 N ATOM 1548 CA ASP A 99 11.931 7.198 3.311 1.00 0.00 C ATOM 1549 C ASP A 99 10.689 7.473 4.249 1.00 0.00 C ATOM 1550 O ASP A 99 9.489 7.348 3.912 1.00 0.00 O ATOM 1551 CB ASP A 99 11.856 8.255 2.150 1.00 0.00 C ATOM 1552 CG ASP A 99 12.814 9.437 2.335 1.00 0.00 C ATOM 1553 OD1 ASP A 99 13.130 9.909 3.413 1.00 0.00 O ATOM 1554 OD2 ASP A 99 13.258 9.901 1.138 1.00 0.00 O ATOM 0 H ASP A 99 10.619 5.594 2.794 1.00 0.00 H new ATOM 0 HA ASP A 99 12.900 7.243 3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.080 7.761 1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 99 10.836 8.632 2.078 1.00 0.00 H new ATOM 1560 N LYS A 100 11.131 7.848 5.469 1.00 0.00 N ATOM 1561 CA LYS A 100 10.325 8.334 6.585 1.00 0.00 C ATOM 1562 C LYS A 100 9.477 9.619 6.334 1.00 0.00 C ATOM 1563 O LYS A 100 8.254 9.568 6.372 1.00 0.00 O ATOM 1564 CB LYS A 100 11.179 8.311 7.820 1.00 0.00 C ATOM 1565 CG LYS A 100 12.329 9.323 7.837 1.00 0.00 C ATOM 1566 CD LYS A 100 12.981 9.285 9.229 1.00 0.00 C ATOM 1567 CE LYS A 100 14.109 10.335 9.471 1.00 0.00 C ATOM 1568 NZ LYS A 100 14.914 10.107 10.709 1.00 0.00 N ATOM 0 H LYS A 100 12.123 7.813 5.704 1.00 0.00 H new ATOM 0 HA LYS A 100 9.492 7.647 6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.543 8.494 8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.595 7.310 7.936 1.00 0.00 H new ATOM 0 HG2 LYS A 100 13.061 9.079 7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.958 10.324 7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.204 9.433 9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.395 8.289 9.390 1.00 0.00 H new ATOM 0 HE2 LYS A 100 14.780 10.333 8.612 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.660 11.327 9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 15.639 10.848 10.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.289 10.138 11.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.375 9.176 10.657 1.00 0.00 H new ATOM 1581 N ASP A 101 10.061 10.720 5.870 1.00 0.00 N ATOM 1582 CA ASP A 101 9.432 11.876 5.375 1.00 0.00 C ATOM 1583 C ASP A 101 8.763 11.658 3.998 1.00 0.00 C ATOM 1584 O ASP A 101 7.605 11.986 3.782 1.00 0.00 O ATOM 1585 CB ASP A 101 10.309 13.198 5.509 1.00 0.00 C ATOM 1586 CG ASP A 101 11.591 13.214 4.608 1.00 0.00 C ATOM 1587 OD1 ASP A 101 11.592 13.466 3.390 1.00 0.00 O ATOM 1588 OD2 ASP A 101 12.643 12.942 5.356 1.00 0.00 O ATOM 0 H ASP A 101 11.077 10.803 5.841 1.00 0.00 H new ATOM 0 HA ASP A 101 8.596 12.072 6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.690 14.058 5.255 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.609 13.317 6.550 1.00 0.00 H new ATOM 1594 N GLY A 102 9.453 11.028 3.042 1.00 0.00 N ATOM 1595 CA GLY A 102 8.993 10.722 1.663 1.00 0.00 C ATOM 1596 C GLY A 102 7.547 10.185 1.263 1.00 0.00 C ATOM 1597 O GLY A 102 6.749 10.794 0.486 1.00 0.00 O ATOM 0 H GLY A 102 10.403 10.695 3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.136 11.640 1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.699 9.990 1.271 1.00 0.00 H new ATOM 1601 N LEU A 103 7.203 9.096 1.927 1.00 0.00 N ATOM 1602 CA LEU A 103 5.879 8.415 1.943 1.00 0.00 C ATOM 1603 C LEU A 103 4.680 9.235 2.577 1.00 0.00 C ATOM 1604 O LEU A 103 3.710 9.387 1.811 1.00 0.00 O ATOM 1605 CB LEU A 103 6.143 7.000 2.627 1.00 0.00 C ATOM 1606 CG LEU A 103 5.016 5.929 2.749 1.00 0.00 C ATOM 1607 CD1 LEU A 103 4.487 5.420 1.363 1.00 0.00 C ATOM 1608 CD2 LEU A 103 5.447 4.710 3.604 1.00 0.00 C ATOM 0 H LEU A 103 7.878 8.612 2.520 1.00 0.00 H new ATOM 0 HA LEU A 103 5.508 8.307 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.965 6.534 2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.501 7.199 3.637 1.00 0.00 H new ATOM 0 HG LEU A 103 4.202 6.450 3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.705 4.677 1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.081 6.259 0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.307 4.969 0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.626 3.995 3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.315 4.234 3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.704 5.043 4.610 1.00 0.00 H new ATOM 1620 N PRO A 104 4.651 9.836 3.769 1.00 0.00 N ATOM 1621 CA PRO A 104 3.724 10.946 4.098 1.00 0.00 C ATOM 1622 C PRO A 104 3.568 12.151 3.133 1.00 0.00 C ATOM 1623 O PRO A 104 2.495 12.755 3.015 1.00 0.00 O ATOM 1624 CB PRO A 104 4.317 11.409 5.495 1.00 0.00 C ATOM 1625 CG PRO A 104 5.022 10.209 6.046 1.00 0.00 C ATOM 1626 CD PRO A 104 5.579 9.431 4.852 1.00 0.00 C ATOM 0 HA PRO A 104 2.698 10.580 4.056 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.004 12.246 5.372 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.526 11.742 6.166 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.825 10.509 6.720 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.336 9.590 6.624 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.611 9.705 4.631 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.564 8.354 5.022 1.00 0.00 H new ATOM 1634 N THR A 105 4.655 12.622 2.501 1.00 0.00 N ATOM 1635 CA THR A 105 4.665 13.695 1.477 1.00 0.00 C ATOM 1636 C THR A 105 3.888 13.319 0.139 1.00 0.00 C ATOM 1637 O THR A 105 2.820 13.862 -0.190 1.00 0.00 O ATOM 1638 CB THR A 105 6.132 14.372 1.285 1.00 0.00 C ATOM 1639 OG1 THR A 105 6.590 14.747 2.556 1.00 0.00 O ATOM 1640 CG2 THR A 105 6.024 15.679 0.554 1.00 0.00 C ATOM 0 H THR A 105 5.588 12.257 2.692 1.00 0.00 H new ATOM 0 HA THR A 105 4.057 14.507 1.877 1.00 0.00 H new ATOM 0 HB THR A 105 6.768 13.662 0.756 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.914 13.955 3.034 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.017 16.114 0.437 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.583 15.511 -0.429 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.393 16.363 1.122 1.00 0.00 H new ATOM 1648 N LEU A 106 4.250 12.198 -0.474 1.00 0.00 N ATOM 1649 CA LEU A 106 3.442 11.531 -1.606 1.00 0.00 C ATOM 1650 C LEU A 106 1.960 11.139 -1.409 1.00 0.00 C ATOM 1651 O LEU A 106 1.194 11.477 -2.273 1.00 0.00 O ATOM 1652 CB LEU A 106 4.326 10.288 -2.050 1.00 0.00 C ATOM 1653 CG LEU A 106 3.672 9.372 -3.205 1.00 0.00 C ATOM 1654 CD1 LEU A 106 3.545 9.974 -4.588 1.00 0.00 C ATOM 1655 CD2 LEU A 106 4.548 8.153 -3.441 1.00 0.00 C ATOM 0 H LEU A 106 5.102 11.691 -0.235 1.00 0.00 H new ATOM 0 HA LEU A 106 3.286 12.308 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.292 10.653 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.517 9.665 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 106 2.672 9.190 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.090 9.247 -5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.920 10.866 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.534 10.243 -4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.107 7.533 -4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.542 8.474 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.624 7.576 -2.519 1.00 0.00 H new ATOM 1667 N VAL A 107 1.587 10.652 -0.226 1.00 0.00 N ATOM 1668 CA VAL A 107 0.239 10.411 0.307 1.00 0.00 C ATOM 1669 C VAL A 107 -0.658 11.680 0.518 1.00 0.00 C ATOM 1670 O VAL A 107 -1.817 11.649 0.159 1.00 0.00 O ATOM 1671 CB VAL A 107 0.264 9.452 1.550 1.00 0.00 C ATOM 1672 CG1 VAL A 107 -1.091 9.285 2.243 1.00 0.00 C ATOM 1673 CG2 VAL A 107 0.842 8.097 1.149 1.00 0.00 C ATOM 0 H VAL A 107 2.295 10.387 0.459 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.278 9.892 -0.500 1.00 0.00 H new ATOM 0 HB VAL A 107 0.907 9.927 2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.985 8.607 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.441 10.255 2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.812 8.873 1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.856 7.437 2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.225 7.655 0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.858 8.230 0.778 1.00 0.00 H new ATOM 1683 N ALA A 108 -0.153 12.661 1.160 1.00 0.00 N ATOM 1684 CA ALA A 108 -0.741 13.967 1.314 1.00 0.00 C ATOM 1685 C ALA A 108 -1.129 14.574 -0.071 1.00 0.00 C ATOM 1686 O ALA A 108 -2.300 14.782 -0.334 1.00 0.00 O ATOM 1687 CB ALA A 108 0.188 14.891 2.115 1.00 0.00 C ATOM 0 H ALA A 108 0.748 12.584 1.633 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.664 13.866 1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.276 15.872 2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.361 14.465 3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.139 14.993 1.592 1.00 0.00 H new ATOM 1693 N LYS A 109 -0.211 14.701 -1.029 1.00 0.00 N ATOM 1694 CA LYS A 109 -0.537 15.028 -2.416 1.00 0.00 C ATOM 1695 C LYS A 109 -1.748 14.170 -3.069 1.00 0.00 C ATOM 1696 O LYS A 109 -2.670 14.722 -3.716 1.00 0.00 O ATOM 1697 CB LYS A 109 0.746 14.956 -3.247 1.00 0.00 C ATOM 1698 CG LYS A 109 1.894 15.963 -2.917 1.00 0.00 C ATOM 1699 CD LYS A 109 3.169 15.546 -3.634 1.00 0.00 C ATOM 1700 CE LYS A 109 4.380 16.508 -3.404 1.00 0.00 C ATOM 1701 NZ LYS A 109 5.542 16.098 -4.222 1.00 0.00 N ATOM 0 H LYS A 109 0.788 14.579 -0.862 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.936 16.042 -2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.149 13.948 -3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.474 15.092 -4.294 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.607 16.969 -3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.065 15.994 -1.841 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.447 14.545 -3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 109 2.967 15.484 -4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 109 4.093 17.528 -3.659 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.655 16.508 -2.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.333 16.751 -4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.828 15.133 -3.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 5.283 16.121 -5.229 1.00 0.00 H new ATOM 1714 N HIS A 110 -1.738 12.826 -2.880 1.00 0.00 N ATOM 1715 CA HIS A 110 -2.837 11.884 -3.283 1.00 0.00 C ATOM 1716 C HIS A 110 -4.232 12.000 -2.613 1.00 0.00 C ATOM 1717 O HIS A 110 -5.234 12.152 -3.335 1.00 0.00 O ATOM 1718 CB HIS A 110 -2.196 10.477 -3.491 1.00 0.00 C ATOM 1719 CG HIS A 110 -1.554 10.360 -4.896 1.00 0.00 C ATOM 1720 ND1 HIS A 110 -2.308 9.940 -5.973 1.00 0.00 N ATOM 1721 CD2 HIS A 110 -0.275 10.791 -5.385 1.00 0.00 C ATOM 1722 CE1 HIS A 110 -1.402 10.130 -6.976 1.00 0.00 C ATOM 1723 NE2 HIS A 110 -0.180 10.611 -6.747 1.00 0.00 N ATOM 0 H HIS A 110 -0.954 12.348 -2.435 1.00 0.00 H new ATOM 0 HA HIS A 110 -3.246 12.221 -4.236 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -1.439 10.302 -2.726 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -2.957 9.706 -3.370 1.00 0.00 H new ATOM 0 HD2 HIS A 110 0.509 11.202 -4.766 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -1.684 9.882 -7.989 1.00 0.00 H new ATOM 0 HE2 HIS A 110 0.593 10.791 -7.388 1.00 0.00 H new ATOM 1731 N ALA A 111 -4.277 12.000 -1.278 1.00 0.00 N ATOM 1732 CA ALA A 111 -5.429 12.422 -0.487 1.00 0.00 C ATOM 1733 C ALA A 111 -6.024 13.869 -0.783 1.00 0.00 C ATOM 1734 O ALA A 111 -7.212 13.957 -0.523 1.00 0.00 O ATOM 1735 CB ALA A 111 -4.929 12.300 0.894 1.00 0.00 C ATOM 0 H ALA A 111 -3.490 11.697 -0.705 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.295 11.806 -0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.713 12.593 1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.639 11.267 1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.064 12.950 1.027 1.00 0.00 H new