USER MOD reduce.3.24.130724 H: found=0, std=0, add=1052, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1053 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 115 GLN : amide:sc= -3.52! C(o=-7.4!,f=-8.5!) USER MOD Set 1.2: A 117 TYR OH : rot -12:sc= -3.88! USER MOD Set 2.1: A 5 THR OG1 : rot 180:sc= -0.0133 USER MOD Set 2.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 14 TYR OH : rot 180:sc= -0.796 USER MOD Set 3.2: A 18 MET CE :methyl 163:sc= 0 (180deg=-0.126) USER MOD Set 3.3: A 21 MET CE :methyl 171:sc= -3.14! (180deg=-3.44!) USER MOD Set 4.1: A 7 LYS NZ :NH3+ 146:sc= -1.59 (180deg=-3.93!) USER MOD Set 4.2: A 35 ASN :FLIP amide:sc= 0.785 F(o=-5.2!,f=-0.81) USER MOD Set 5.1: A 1 ALA N :NH3+ 153:sc= 0.214 (180deg=0.0179) USER MOD Set 5.2: A 42 GLN : amide:sc= -0.483 X(o=-0.27,f=0.14) USER MOD Single : A 4 SER OG : rot -65:sc= -1.38! USER MOD Single : A 11 SER OG : rot 79:sc= 0.465 USER MOD Single : A 13 ASN : amide:sc= 0.151 K(o=0.15,f=-1.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.517 X(o=-0.52,f=-0.38) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -155:sc= -0.0284 (180deg=-0.356) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0705 X(o=-0.07,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 152:sc= -1.34 (180deg=-2.42!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.42! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -39:sc= -0.0913! USER MOD Single : A 53 SER OG : rot -157:sc= -0.163 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.658 F(o=-6!,f=-0.66) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0542 USER MOD Single : A 69 ASN :FLIP amide:sc= -0.0562 F(o=-0.65,f=-0.056) USER MOD Single : A 71 ASN :FLIP amide:sc= -6.29! C(o=-6.9!,f=-6.3!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.801 USER MOD Single : A 81 THR OG1 : rot -85:sc= -2.77! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN :FLIP amide:sc= -1.09! C(o=-1.9!,f=-1.1!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 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 96 THR OG1 : rot -100:sc= -1.54 USER MOD Single : A 98 ASN : amide:sc= -1.92! C(o=-1.9!,f=-9.2!) USER MOD Single : A 100 ASN : amide:sc= -0.241 K(o=-0.24,f=-2.1!) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot 69:sc= 0.0374 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot -50:sc= -3.51 USER MOD Single : A 125 LYS NZ :NH3+ -124:sc= 0.781 (180deg=-0.272) USER MOD Single : A 129 LYS NZ :NH3+ 137:sc= -0.296 (180deg=-1.47!) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 117.586 8.586 -7.390 1.00 0.00 N ATOM 2 CA ALA A 1 117.259 7.260 -6.793 1.00 0.00 C ATOM 3 C ALA A 1 115.885 6.804 -7.285 1.00 0.00 C ATOM 4 O ALA A 1 114.880 7.434 -7.023 1.00 0.00 O ATOM 5 CB ALA A 1 117.241 7.378 -5.270 1.00 0.00 C ATOM 0 H1 ALA A 1 118.235 9.099 -6.761 1.00 0.00 H new ATOM 0 H2 ALA A 1 118.038 8.448 -8.316 1.00 0.00 H new ATOM 0 H3 ALA A 1 116.712 9.137 -7.510 1.00 0.00 H new ATOM 0 HA ALA A 1 118.012 6.531 -7.092 1.00 0.00 H new ATOM 0 HB1 ALA A 1 117.002 6.409 -4.833 1.00 0.00 H new ATOM 0 HB2 ALA A 1 118.220 7.703 -4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 1 116.488 8.107 -4.970 1.00 0.00 H new ATOM 13 N PHE A 2 115.835 5.712 -7.998 1.00 0.00 N ATOM 14 CA PHE A 2 114.527 5.211 -8.511 1.00 0.00 C ATOM 15 C PHE A 2 113.682 6.394 -8.987 1.00 0.00 C ATOM 16 O PHE A 2 112.470 6.379 -8.903 1.00 0.00 O ATOM 17 CB PHE A 2 113.786 4.463 -7.396 1.00 0.00 C ATOM 18 CG PHE A 2 113.107 3.245 -7.970 1.00 0.00 C ATOM 19 CD1 PHE A 2 113.856 2.268 -8.638 1.00 0.00 C ATOM 20 CD2 PHE A 2 111.723 3.099 -7.842 1.00 0.00 C ATOM 21 CE1 PHE A 2 113.216 1.146 -9.179 1.00 0.00 C ATOM 22 CE2 PHE A 2 111.085 1.978 -8.380 1.00 0.00 C ATOM 23 CZ PHE A 2 111.832 1.001 -9.050 1.00 0.00 C ATOM 0 H PHE A 2 116.644 5.144 -8.248 1.00 0.00 H new ATOM 0 HA PHE A 2 114.701 4.530 -9.344 1.00 0.00 H new ATOM 0 HB2 PHE A 2 114.486 4.167 -6.615 1.00 0.00 H new ATOM 0 HB3 PHE A 2 113.049 5.118 -6.932 1.00 0.00 H new ATOM 0 HD1 PHE A 2 114.926 2.380 -8.736 1.00 0.00 H new ATOM 0 HD2 PHE A 2 111.146 3.853 -7.327 1.00 0.00 H new ATOM 0 HE1 PHE A 2 113.792 0.393 -9.696 1.00 0.00 H new ATOM 0 HE2 PHE A 2 110.016 1.865 -8.279 1.00 0.00 H new ATOM 0 HZ PHE A 2 111.339 0.136 -9.467 1.00 0.00 H new ATOM 33 N ASP A 3 114.315 7.417 -9.485 1.00 0.00 N ATOM 34 CA ASP A 3 113.552 8.603 -9.968 1.00 0.00 C ATOM 35 C ASP A 3 112.896 8.280 -11.313 1.00 0.00 C ATOM 36 O ASP A 3 113.377 8.675 -12.357 1.00 0.00 O ATOM 37 CB ASP A 3 114.504 9.788 -10.135 1.00 0.00 C ATOM 38 CG ASP A 3 114.824 10.385 -8.764 1.00 0.00 C ATOM 39 OD1 ASP A 3 115.211 11.541 -8.718 1.00 0.00 O ATOM 40 OD2 ASP A 3 114.676 9.676 -7.782 1.00 0.00 O ATOM 0 H ASP A 3 115.328 7.485 -9.579 1.00 0.00 H new ATOM 0 HA ASP A 3 112.780 8.856 -9.242 1.00 0.00 H new ATOM 0 HB2 ASP A 3 115.422 9.464 -10.625 1.00 0.00 H new ATOM 0 HB3 ASP A 3 114.051 10.544 -10.776 1.00 0.00 H new ATOM 45 N SER A 4 111.801 7.567 -11.300 1.00 0.00 N ATOM 46 CA SER A 4 111.120 7.225 -12.584 1.00 0.00 C ATOM 47 C SER A 4 109.859 6.404 -12.296 1.00 0.00 C ATOM 48 O SER A 4 109.421 6.292 -11.167 1.00 0.00 O ATOM 49 CB SER A 4 112.067 6.406 -13.464 1.00 0.00 C ATOM 50 OG SER A 4 111.697 5.035 -13.404 1.00 0.00 O ATOM 0 H SER A 4 111.350 7.207 -10.459 1.00 0.00 H new ATOM 0 HA SER A 4 110.845 8.145 -13.100 1.00 0.00 H new ATOM 0 HB2 SER A 4 112.024 6.761 -14.494 1.00 0.00 H new ATOM 0 HB3 SER A 4 113.096 6.532 -13.126 1.00 0.00 H new ATOM 0 HG SER A 4 111.835 4.699 -12.494 1.00 0.00 H new ATOM 56 N THR A 5 109.272 5.829 -13.314 1.00 0.00 N ATOM 57 CA THR A 5 108.041 5.014 -13.105 1.00 0.00 C ATOM 58 C THR A 5 108.426 3.539 -12.975 1.00 0.00 C ATOM 59 O THR A 5 109.320 3.061 -13.644 1.00 0.00 O ATOM 60 CB THR A 5 107.100 5.194 -14.299 1.00 0.00 C ATOM 61 OG1 THR A 5 106.646 6.540 -14.343 1.00 0.00 O ATOM 62 CG2 THR A 5 105.902 4.255 -14.153 1.00 0.00 C ATOM 0 H THR A 5 109.593 5.889 -14.280 1.00 0.00 H new ATOM 0 HA THR A 5 107.537 5.341 -12.195 1.00 0.00 H new ATOM 0 HB THR A 5 107.633 4.959 -15.220 1.00 0.00 H new ATOM 0 HG1 THR A 5 106.045 6.658 -15.108 1.00 0.00 H new ATOM 0 HG21 THR A 5 105.233 4.384 -15.004 1.00 0.00 H new ATOM 0 HG22 THR A 5 106.251 3.223 -14.119 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.367 4.488 -13.232 1.00 0.00 H new ATOM 70 N TRP A 6 107.766 2.815 -12.110 1.00 0.00 N ATOM 71 CA TRP A 6 108.109 1.376 -11.931 1.00 0.00 C ATOM 72 C TRP A 6 106.871 0.600 -11.479 1.00 0.00 C ATOM 73 O TRP A 6 105.860 1.175 -11.126 1.00 0.00 O ATOM 74 CB TRP A 6 109.198 1.237 -10.872 1.00 0.00 C ATOM 75 CG TRP A 6 110.121 2.414 -10.931 1.00 0.00 C ATOM 76 CD1 TRP A 6 109.782 3.689 -10.630 1.00 0.00 C ATOM 77 CD2 TRP A 6 111.528 2.441 -11.297 1.00 0.00 C ATOM 78 NE1 TRP A 6 110.895 4.496 -10.792 1.00 0.00 N ATOM 79 CE2 TRP A 6 111.997 3.770 -11.200 1.00 0.00 C ATOM 80 CE3 TRP A 6 112.434 1.445 -11.698 1.00 0.00 C ATOM 81 CZ2 TRP A 6 113.322 4.101 -11.491 1.00 0.00 C ATOM 82 CZ3 TRP A 6 113.766 1.770 -11.989 1.00 0.00 C ATOM 83 CH2 TRP A 6 114.211 3.096 -11.885 1.00 0.00 C ATOM 0 H TRP A 6 107.006 3.158 -11.522 1.00 0.00 H new ATOM 0 HA TRP A 6 108.465 0.975 -12.880 1.00 0.00 H new ATOM 0 HB2 TRP A 6 108.747 1.167 -9.882 1.00 0.00 H new ATOM 0 HB3 TRP A 6 109.758 0.316 -11.033 1.00 0.00 H new ATOM 0 HD1 TRP A 6 108.804 4.022 -10.315 1.00 0.00 H new ATOM 0 HE1 TRP A 6 110.901 5.503 -10.630 1.00 0.00 H new ATOM 0 HE3 TRP A 6 112.102 0.421 -11.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 113.657 5.125 -11.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 114.453 0.995 -12.295 1.00 0.00 H new ATOM 0 HH2 TRP A 6 115.239 3.341 -12.109 1.00 0.00 H new ATOM 94 N LYS A 7 106.944 -0.704 -11.484 1.00 0.00 N ATOM 95 CA LYS A 7 105.775 -1.517 -11.053 1.00 0.00 C ATOM 96 C LYS A 7 106.268 -2.844 -10.477 1.00 0.00 C ATOM 97 O LYS A 7 107.190 -3.446 -10.990 1.00 0.00 O ATOM 98 CB LYS A 7 104.870 -1.786 -12.258 1.00 0.00 C ATOM 99 CG LYS A 7 105.510 -2.853 -13.151 1.00 0.00 C ATOM 100 CD LYS A 7 104.771 -2.917 -14.491 1.00 0.00 C ATOM 101 CE LYS A 7 103.554 -3.837 -14.366 1.00 0.00 C ATOM 102 NZ LYS A 7 102.532 -3.193 -13.493 1.00 0.00 N ATOM 0 H LYS A 7 107.764 -1.240 -11.768 1.00 0.00 H new ATOM 0 HA LYS A 7 105.213 -0.976 -10.292 1.00 0.00 H new ATOM 0 HB2 LYS A 7 103.888 -2.120 -11.921 1.00 0.00 H new ATOM 0 HB3 LYS A 7 104.718 -0.867 -12.824 1.00 0.00 H new ATOM 0 HG2 LYS A 7 106.562 -2.620 -13.316 1.00 0.00 H new ATOM 0 HG3 LYS A 7 105.472 -3.824 -12.657 1.00 0.00 H new ATOM 0 HD2 LYS A 7 104.454 -1.918 -14.791 1.00 0.00 H new ATOM 0 HD3 LYS A 7 105.440 -3.286 -15.269 1.00 0.00 H new ATOM 0 HE2 LYS A 7 103.133 -4.036 -15.351 1.00 0.00 H new ATOM 0 HE3 LYS A 7 103.853 -4.798 -13.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 101.580 -3.447 -13.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 102.655 -3.522 -12.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 102.647 -2.160 -13.528 1.00 0.00 H new ATOM 116 N VAL A 8 105.664 -3.301 -9.412 1.00 0.00 N ATOM 117 CA VAL A 8 106.100 -4.586 -8.801 1.00 0.00 C ATOM 118 C VAL A 8 106.583 -5.548 -9.883 1.00 0.00 C ATOM 119 O VAL A 8 105.803 -6.120 -10.617 1.00 0.00 O ATOM 120 CB VAL A 8 104.924 -5.219 -8.065 1.00 0.00 C ATOM 121 CG1 VAL A 8 105.430 -6.350 -7.169 1.00 0.00 C ATOM 122 CG2 VAL A 8 104.228 -4.160 -7.206 1.00 0.00 C ATOM 0 H VAL A 8 104.887 -2.838 -8.940 1.00 0.00 H new ATOM 0 HA VAL A 8 106.916 -4.387 -8.106 1.00 0.00 H new ATOM 0 HB VAL A 8 104.217 -5.620 -8.791 1.00 0.00 H new ATOM 0 HG11 VAL A 8 104.589 -6.802 -6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 8 105.924 -7.105 -7.780 1.00 0.00 H new ATOM 0 HG13 VAL A 8 106.139 -5.950 -6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 8 103.387 -4.613 -6.680 1.00 0.00 H new ATOM 0 HG22 VAL A 8 104.935 -3.757 -6.481 1.00 0.00 H new ATOM 0 HG23 VAL A 8 103.865 -3.355 -7.845 1.00 0.00 H new ATOM 132 N ASP A 9 107.868 -5.748 -9.966 1.00 0.00 N ATOM 133 CA ASP A 9 108.410 -6.692 -10.975 1.00 0.00 C ATOM 134 C ASP A 9 108.569 -8.052 -10.305 1.00 0.00 C ATOM 135 O ASP A 9 108.423 -9.088 -10.923 1.00 0.00 O ATOM 136 CB ASP A 9 109.771 -6.194 -11.470 1.00 0.00 C ATOM 137 CG ASP A 9 110.527 -7.343 -12.139 1.00 0.00 C ATOM 138 OD1 ASP A 9 109.921 -8.042 -12.934 1.00 0.00 O ATOM 139 OD2 ASP A 9 111.699 -7.506 -11.843 1.00 0.00 O ATOM 0 H ASP A 9 108.566 -5.296 -9.376 1.00 0.00 H new ATOM 0 HA ASP A 9 107.737 -6.766 -11.829 1.00 0.00 H new ATOM 0 HB2 ASP A 9 109.635 -5.375 -12.176 1.00 0.00 H new ATOM 0 HB3 ASP A 9 110.351 -5.801 -10.635 1.00 0.00 H new ATOM 144 N ARG A 10 108.853 -8.048 -9.031 1.00 0.00 N ATOM 145 CA ARG A 10 109.006 -9.337 -8.298 1.00 0.00 C ATOM 146 C ARG A 10 108.687 -9.126 -6.815 1.00 0.00 C ATOM 147 O ARG A 10 108.466 -8.017 -6.372 1.00 0.00 O ATOM 148 CB ARG A 10 110.439 -9.858 -8.451 1.00 0.00 C ATOM 149 CG ARG A 10 110.660 -10.342 -9.884 1.00 0.00 C ATOM 150 CD ARG A 10 111.821 -11.338 -9.913 1.00 0.00 C ATOM 151 NE ARG A 10 113.076 -10.651 -9.500 1.00 0.00 N ATOM 152 CZ ARG A 10 114.184 -11.331 -9.383 1.00 0.00 C ATOM 153 NH1 ARG A 10 115.283 -10.729 -9.020 1.00 0.00 N ATOM 154 NH2 ARG A 10 114.192 -12.612 -9.629 1.00 0.00 N ATOM 0 H ARG A 10 108.986 -7.209 -8.467 1.00 0.00 H new ATOM 0 HA ARG A 10 108.315 -10.070 -8.715 1.00 0.00 H new ATOM 0 HB2 ARG A 10 111.151 -9.069 -8.209 1.00 0.00 H new ATOM 0 HB3 ARG A 10 110.617 -10.673 -7.750 1.00 0.00 H new ATOM 0 HG2 ARG A 10 109.753 -10.813 -10.264 1.00 0.00 H new ATOM 0 HG3 ARG A 10 110.877 -9.496 -10.536 1.00 0.00 H new ATOM 0 HD2 ARG A 10 111.614 -12.173 -9.244 1.00 0.00 H new ATOM 0 HD3 ARG A 10 111.934 -11.752 -10.915 1.00 0.00 H new ATOM 0 HE ARG A 10 113.070 -9.649 -9.309 1.00 0.00 H new ATOM 0 HH11 ARG A 10 115.276 -9.727 -8.828 1.00 0.00 H new ATOM 0 HH12 ARG A 10 116.149 -11.260 -8.928 1.00 0.00 H new ATOM 0 HH21 ARG A 10 113.332 -13.082 -9.913 1.00 0.00 H new ATOM 0 HH22 ARG A 10 115.058 -13.143 -9.538 1.00 0.00 H new ATOM 168 N SER A 11 108.653 -10.181 -6.046 1.00 0.00 N ATOM 169 CA SER A 11 108.340 -10.040 -4.594 1.00 0.00 C ATOM 170 C SER A 11 108.454 -11.407 -3.912 1.00 0.00 C ATOM 171 O SER A 11 108.724 -12.406 -4.547 1.00 0.00 O ATOM 172 CB SER A 11 106.916 -9.507 -4.430 1.00 0.00 C ATOM 173 OG SER A 11 106.513 -9.654 -3.075 1.00 0.00 O ATOM 0 H SER A 11 108.829 -11.135 -6.361 1.00 0.00 H new ATOM 0 HA SER A 11 109.044 -9.345 -4.136 1.00 0.00 H new ATOM 0 HB2 SER A 11 106.872 -8.458 -4.723 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.234 -10.050 -5.085 1.00 0.00 H new ATOM 0 HG SER A 11 106.914 -8.941 -2.535 1.00 0.00 H new ATOM 179 N GLU A 12 108.247 -11.462 -2.622 1.00 0.00 N ATOM 180 CA GLU A 12 108.344 -12.768 -1.911 1.00 0.00 C ATOM 181 C GLU A 12 107.542 -12.709 -0.605 1.00 0.00 C ATOM 182 O GLU A 12 107.344 -11.653 -0.034 1.00 0.00 O ATOM 183 CB GLU A 12 109.816 -13.079 -1.611 1.00 0.00 C ATOM 184 CG GLU A 12 110.167 -12.643 -0.185 1.00 0.00 C ATOM 185 CD GLU A 12 111.688 -12.606 -0.023 1.00 0.00 C ATOM 186 OE1 GLU A 12 112.370 -13.108 -0.902 1.00 0.00 O ATOM 187 OE2 GLU A 12 112.145 -12.078 0.977 1.00 0.00 O ATOM 0 H GLU A 12 108.016 -10.662 -2.033 1.00 0.00 H new ATOM 0 HA GLU A 12 107.933 -13.556 -2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 12 110.001 -14.147 -1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 12 110.458 -12.563 -2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 12 109.745 -11.659 0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 12 109.730 -13.334 0.536 1.00 0.00 H new ATOM 194 N ASN A 13 107.087 -13.841 -0.135 1.00 0.00 N ATOM 195 CA ASN A 13 106.300 -13.871 1.132 1.00 0.00 C ATOM 196 C ASN A 13 105.069 -12.973 0.998 1.00 0.00 C ATOM 197 O ASN A 13 104.146 -13.273 0.267 1.00 0.00 O ATOM 198 CB ASN A 13 107.171 -13.380 2.291 1.00 0.00 C ATOM 199 CG ASN A 13 108.041 -14.530 2.799 1.00 0.00 C ATOM 200 OD1 ASN A 13 108.224 -15.517 2.114 1.00 0.00 O ATOM 201 ND2 ASN A 13 108.591 -14.445 3.980 1.00 0.00 N ATOM 0 H ASN A 13 107.228 -14.750 -0.577 1.00 0.00 H new ATOM 0 HA ASN A 13 105.978 -14.894 1.330 1.00 0.00 H new ATOM 0 HB2 ASN A 13 107.800 -12.552 1.962 1.00 0.00 H new ATOM 0 HB3 ASN A 13 106.542 -13.002 3.097 1.00 0.00 H new ATOM 0 HD21 ASN A 13 109.174 -15.207 4.327 1.00 0.00 H new ATOM 0 HD22 ASN A 13 108.438 -13.617 4.555 1.00 0.00 H new ATOM 208 N TYR A 14 105.050 -11.872 1.696 1.00 0.00 N ATOM 209 CA TYR A 14 103.882 -10.952 1.611 1.00 0.00 C ATOM 210 C TYR A 14 102.711 -11.523 2.407 1.00 0.00 C ATOM 211 O TYR A 14 102.151 -10.861 3.258 1.00 0.00 O ATOM 212 CB TYR A 14 103.479 -10.771 0.143 1.00 0.00 C ATOM 213 CG TYR A 14 103.131 -9.323 -0.124 1.00 0.00 C ATOM 214 CD1 TYR A 14 103.959 -8.300 0.354 1.00 0.00 C ATOM 215 CD2 TYR A 14 101.980 -9.006 -0.856 1.00 0.00 C ATOM 216 CE1 TYR A 14 103.634 -6.961 0.103 1.00 0.00 C ATOM 217 CE2 TYR A 14 101.656 -7.668 -1.107 1.00 0.00 C ATOM 218 CZ TYR A 14 102.483 -6.645 -0.628 1.00 0.00 C ATOM 219 OH TYR A 14 102.163 -5.326 -0.877 1.00 0.00 O ATOM 0 H TYR A 14 105.795 -11.569 2.323 1.00 0.00 H new ATOM 0 HA TYR A 14 104.154 -9.984 2.031 1.00 0.00 H new ATOM 0 HB2 TYR A 14 104.296 -11.083 -0.508 1.00 0.00 H new ATOM 0 HB3 TYR A 14 102.625 -11.407 -0.089 1.00 0.00 H new ATOM 0 HD1 TYR A 14 104.848 -8.544 0.916 1.00 0.00 H new ATOM 0 HD2 TYR A 14 101.342 -9.795 -1.227 1.00 0.00 H new ATOM 0 HE1 TYR A 14 104.272 -6.172 0.474 1.00 0.00 H new ATOM 0 HE2 TYR A 14 100.767 -7.424 -1.671 1.00 0.00 H new ATOM 0 HH TYR A 14 101.334 -5.283 -1.398 1.00 0.00 H new ATOM 229 N ASP A 15 102.331 -12.740 2.148 1.00 0.00 N ATOM 230 CA ASP A 15 101.195 -13.324 2.908 1.00 0.00 C ATOM 231 C ASP A 15 101.538 -13.310 4.394 1.00 0.00 C ATOM 232 O ASP A 15 100.748 -12.902 5.222 1.00 0.00 O ATOM 233 CB ASP A 15 100.942 -14.759 2.446 1.00 0.00 C ATOM 234 CG ASP A 15 102.118 -15.645 2.860 1.00 0.00 C ATOM 235 OD1 ASP A 15 101.872 -16.735 3.347 1.00 0.00 O ATOM 236 OD2 ASP A 15 103.246 -15.218 2.679 1.00 0.00 O ATOM 0 H ASP A 15 102.753 -13.351 1.449 1.00 0.00 H new ATOM 0 HA ASP A 15 100.294 -12.737 2.732 1.00 0.00 H new ATOM 0 HB2 ASP A 15 100.018 -15.135 2.884 1.00 0.00 H new ATOM 0 HB3 ASP A 15 100.816 -14.787 1.364 1.00 0.00 H new ATOM 241 N LYS A 16 102.720 -13.732 4.738 1.00 0.00 N ATOM 242 CA LYS A 16 103.117 -13.720 6.170 1.00 0.00 C ATOM 243 C LYS A 16 103.137 -12.271 6.647 1.00 0.00 C ATOM 244 O LYS A 16 102.843 -11.974 7.787 1.00 0.00 O ATOM 245 CB LYS A 16 104.509 -14.338 6.328 1.00 0.00 C ATOM 246 CG LYS A 16 104.518 -15.737 5.707 1.00 0.00 C ATOM 247 CD LYS A 16 105.869 -16.404 5.973 1.00 0.00 C ATOM 248 CE LYS A 16 105.734 -17.918 5.804 1.00 0.00 C ATOM 249 NZ LYS A 16 107.069 -18.559 5.970 1.00 0.00 N ATOM 0 H LYS A 16 103.426 -14.084 4.092 1.00 0.00 H new ATOM 0 HA LYS A 16 102.410 -14.301 6.762 1.00 0.00 H new ATOM 0 HB2 LYS A 16 105.255 -13.708 5.844 1.00 0.00 H new ATOM 0 HB3 LYS A 16 104.776 -14.395 7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 16 103.714 -16.339 6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 16 104.338 -15.672 4.634 1.00 0.00 H new ATOM 0 HD2 LYS A 16 106.620 -16.016 5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 16 106.210 -16.169 6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 16 105.034 -18.315 6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 16 105.328 -18.150 4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 106.977 -19.588 5.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 107.724 -18.188 5.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 107.440 -18.349 6.919 1.00 0.00 H new ATOM 263 N PHE A 17 103.469 -11.364 5.770 1.00 0.00 N ATOM 264 CA PHE A 17 103.496 -9.930 6.150 1.00 0.00 C ATOM 265 C PHE A 17 102.063 -9.438 6.309 1.00 0.00 C ATOM 266 O PHE A 17 101.643 -9.024 7.373 1.00 0.00 O ATOM 267 CB PHE A 17 104.182 -9.158 5.032 1.00 0.00 C ATOM 268 CG PHE A 17 104.268 -7.698 5.385 1.00 0.00 C ATOM 269 CD1 PHE A 17 105.186 -7.278 6.343 1.00 0.00 C ATOM 270 CD2 PHE A 17 103.445 -6.766 4.743 1.00 0.00 C ATOM 271 CE1 PHE A 17 105.288 -5.923 6.671 1.00 0.00 C ATOM 272 CE2 PHE A 17 103.541 -5.408 5.069 1.00 0.00 C ATOM 273 CZ PHE A 17 104.464 -4.986 6.034 1.00 0.00 C ATOM 0 H PHE A 17 103.724 -11.559 4.802 1.00 0.00 H new ATOM 0 HA PHE A 17 104.033 -9.786 7.087 1.00 0.00 H new ATOM 0 HB2 PHE A 17 105.182 -9.558 4.864 1.00 0.00 H new ATOM 0 HB3 PHE A 17 103.628 -9.283 4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 17 105.821 -8.001 6.834 1.00 0.00 H new ATOM 0 HD2 PHE A 17 102.736 -7.094 3.997 1.00 0.00 H new ATOM 0 HE1 PHE A 17 106.001 -5.599 7.415 1.00 0.00 H new ATOM 0 HE2 PHE A 17 102.905 -4.687 4.577 1.00 0.00 H new ATOM 0 HZ PHE A 17 104.541 -3.939 6.287 1.00 0.00 H new ATOM 283 N MET A 18 101.313 -9.492 5.253 1.00 0.00 N ATOM 284 CA MET A 18 99.896 -9.039 5.320 1.00 0.00 C ATOM 285 C MET A 18 99.152 -9.857 6.376 1.00 0.00 C ATOM 286 O MET A 18 98.157 -9.424 6.920 1.00 0.00 O ATOM 287 CB MET A 18 99.230 -9.236 3.956 1.00 0.00 C ATOM 288 CG MET A 18 99.812 -8.238 2.954 1.00 0.00 C ATOM 289 SD MET A 18 99.005 -6.631 3.165 1.00 0.00 S ATOM 290 CE MET A 18 100.395 -5.606 2.626 1.00 0.00 C ATOM 0 H MET A 18 101.617 -9.831 4.340 1.00 0.00 H new ATOM 0 HA MET A 18 99.863 -7.983 5.588 1.00 0.00 H new ATOM 0 HB2 MET A 18 99.391 -10.255 3.605 1.00 0.00 H new ATOM 0 HB3 MET A 18 98.153 -9.095 4.042 1.00 0.00 H new ATOM 0 HG2 MET A 18 100.887 -8.140 3.105 1.00 0.00 H new ATOM 0 HG3 MET A 18 99.665 -8.600 1.936 1.00 0.00 H new ATOM 0 HE1 MET A 18 100.037 -4.604 2.387 1.00 0.00 H new ATOM 0 HE2 MET A 18 101.134 -5.546 3.425 1.00 0.00 H new ATOM 0 HE3 MET A 18 100.852 -6.049 1.741 1.00 0.00 H new ATOM 300 N GLU A 19 99.626 -11.038 6.676 1.00 0.00 N ATOM 301 CA GLU A 19 98.939 -11.868 7.703 1.00 0.00 C ATOM 302 C GLU A 19 99.297 -11.348 9.093 1.00 0.00 C ATOM 303 O GLU A 19 98.489 -11.359 10.000 1.00 0.00 O ATOM 304 CB GLU A 19 99.384 -13.326 7.569 1.00 0.00 C ATOM 305 CG GLU A 19 98.888 -14.125 8.776 1.00 0.00 C ATOM 306 CD GLU A 19 99.093 -15.619 8.519 1.00 0.00 C ATOM 307 OE1 GLU A 19 98.158 -16.255 8.060 1.00 0.00 O ATOM 308 OE2 GLU A 19 100.181 -16.102 8.785 1.00 0.00 O ATOM 0 H GLU A 19 100.454 -11.460 6.256 1.00 0.00 H new ATOM 0 HA GLU A 19 97.860 -11.808 7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 19 98.988 -13.755 6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 19 100.471 -13.381 7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 19 99.428 -13.822 9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 19 97.833 -13.917 8.954 1.00 0.00 H new ATOM 315 N LYS A 20 100.504 -10.886 9.266 1.00 0.00 N ATOM 316 CA LYS A 20 100.911 -10.359 10.595 1.00 0.00 C ATOM 317 C LYS A 20 100.098 -9.106 10.908 1.00 0.00 C ATOM 318 O LYS A 20 99.634 -8.915 12.015 1.00 0.00 O ATOM 319 CB LYS A 20 102.403 -10.015 10.575 1.00 0.00 C ATOM 320 CG LYS A 20 103.224 -11.305 10.631 1.00 0.00 C ATOM 321 CD LYS A 20 103.368 -11.761 12.085 1.00 0.00 C ATOM 322 CE LYS A 20 104.387 -12.898 12.165 1.00 0.00 C ATOM 323 NZ LYS A 20 104.191 -13.650 13.437 1.00 0.00 N ATOM 0 H LYS A 20 101.224 -10.851 8.545 1.00 0.00 H new ATOM 0 HA LYS A 20 100.728 -11.113 11.361 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.646 -9.455 9.672 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.651 -9.376 11.422 1.00 0.00 H new ATOM 0 HG2 LYS A 20 102.738 -12.083 10.042 1.00 0.00 H new ATOM 0 HG3 LYS A 20 104.208 -11.141 10.192 1.00 0.00 H new ATOM 0 HD2 LYS A 20 103.689 -10.927 12.709 1.00 0.00 H new ATOM 0 HD3 LYS A 20 102.404 -12.095 12.470 1.00 0.00 H new ATOM 0 HE2 LYS A 20 104.270 -13.567 11.312 1.00 0.00 H new ATOM 0 HE3 LYS A 20 105.400 -12.497 12.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 104.883 -14.424 13.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 104.324 -13.008 14.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 103.229 -14.044 13.463 1.00 0.00 H new ATOM 337 N MET A 21 99.911 -8.253 9.941 1.00 0.00 N ATOM 338 CA MET A 21 99.116 -7.020 10.189 1.00 0.00 C ATOM 339 C MET A 21 97.708 -7.421 10.635 1.00 0.00 C ATOM 340 O MET A 21 96.949 -6.614 11.132 1.00 0.00 O ATOM 341 CB MET A 21 99.031 -6.194 8.899 1.00 0.00 C ATOM 342 CG MET A 21 100.063 -5.065 8.938 1.00 0.00 C ATOM 343 SD MET A 21 99.772 -3.933 7.555 1.00 0.00 S ATOM 344 CE MET A 21 101.303 -4.274 6.652 1.00 0.00 C ATOM 0 H MET A 21 100.273 -8.356 8.993 1.00 0.00 H new ATOM 0 HA MET A 21 99.594 -6.422 10.965 1.00 0.00 H new ATOM 0 HB2 MET A 21 99.210 -6.833 8.034 1.00 0.00 H new ATOM 0 HB3 MET A 21 98.029 -5.780 8.787 1.00 0.00 H new ATOM 0 HG2 MET A 21 99.993 -4.527 9.883 1.00 0.00 H new ATOM 0 HG3 MET A 21 101.071 -5.477 8.879 1.00 0.00 H new ATOM 0 HE1 MET A 21 101.262 -3.796 5.673 1.00 0.00 H new ATOM 0 HE2 MET A 21 102.151 -3.881 7.213 1.00 0.00 H new ATOM 0 HE3 MET A 21 101.419 -5.350 6.526 1.00 0.00 H new ATOM 354 N GLY A 22 97.357 -8.667 10.460 1.00 0.00 N ATOM 355 CA GLY A 22 95.998 -9.121 10.873 1.00 0.00 C ATOM 356 C GLY A 22 94.998 -8.795 9.763 1.00 0.00 C ATOM 357 O GLY A 22 93.810 -8.687 9.995 1.00 0.00 O ATOM 0 H GLY A 22 97.951 -9.388 10.050 1.00 0.00 H new ATOM 0 HA2 GLY A 22 96.004 -10.193 11.069 1.00 0.00 H new ATOM 0 HA3 GLY A 22 95.703 -8.629 11.800 1.00 0.00 H new ATOM 361 N VAL A 23 95.473 -8.638 8.558 1.00 0.00 N ATOM 362 CA VAL A 23 94.556 -8.317 7.429 1.00 0.00 C ATOM 363 C VAL A 23 93.747 -9.562 7.060 1.00 0.00 C ATOM 364 O VAL A 23 94.280 -10.648 6.943 1.00 0.00 O ATOM 365 CB VAL A 23 95.379 -7.862 6.224 1.00 0.00 C ATOM 366 CG1 VAL A 23 94.478 -7.108 5.246 1.00 0.00 C ATOM 367 CG2 VAL A 23 96.504 -6.937 6.694 1.00 0.00 C ATOM 0 H VAL A 23 96.458 -8.718 8.307 1.00 0.00 H new ATOM 0 HA VAL A 23 93.874 -7.520 7.725 1.00 0.00 H new ATOM 0 HB VAL A 23 95.807 -8.733 5.728 1.00 0.00 H new ATOM 0 HG11 VAL A 23 95.065 -6.784 4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 23 93.676 -7.765 4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 23 94.050 -6.237 5.743 1.00 0.00 H new ATOM 0 HG21 VAL A 23 97.091 -6.612 5.835 1.00 0.00 H new ATOM 0 HG22 VAL A 23 96.076 -6.066 7.191 1.00 0.00 H new ATOM 0 HG23 VAL A 23 97.148 -7.473 7.392 1.00 0.00 H new ATOM 377 N ASN A 24 92.463 -9.413 6.874 1.00 0.00 N ATOM 378 CA ASN A 24 91.619 -10.589 6.512 1.00 0.00 C ATOM 379 C ASN A 24 92.353 -11.445 5.479 1.00 0.00 C ATOM 380 O ASN A 24 93.319 -11.019 4.878 1.00 0.00 O ATOM 381 CB ASN A 24 90.294 -10.101 5.922 1.00 0.00 C ATOM 382 CG ASN A 24 89.845 -8.834 6.654 1.00 0.00 C ATOM 383 OD1 ASN A 24 89.277 -8.906 7.725 1.00 0.00 O ATOM 384 ND2 ASN A 24 90.078 -7.668 6.117 1.00 0.00 N ATOM 0 H ASN A 24 91.962 -8.528 6.957 1.00 0.00 H new ATOM 0 HA ASN A 24 91.423 -11.185 7.403 1.00 0.00 H new ATOM 0 HB2 ASN A 24 90.411 -9.897 4.858 1.00 0.00 H new ATOM 0 HB3 ASN A 24 89.534 -10.877 6.016 1.00 0.00 H new ATOM 0 HD21 ASN A 24 89.783 -6.818 6.597 1.00 0.00 H new ATOM 0 HD22 ASN A 24 90.555 -7.607 5.218 1.00 0.00 H new ATOM 391 N ILE A 25 91.903 -12.652 5.267 1.00 0.00 N ATOM 392 CA ILE A 25 92.578 -13.533 4.274 1.00 0.00 C ATOM 393 C ILE A 25 92.165 -13.112 2.870 1.00 0.00 C ATOM 394 O ILE A 25 92.602 -13.656 1.875 1.00 0.00 O ATOM 395 CB ILE A 25 92.176 -14.989 4.532 1.00 0.00 C ATOM 396 CG1 ILE A 25 93.122 -15.603 5.572 1.00 0.00 C ATOM 397 CG2 ILE A 25 92.249 -15.791 3.231 1.00 0.00 C ATOM 398 CD1 ILE A 25 94.421 -16.051 4.898 1.00 0.00 C ATOM 0 H ILE A 25 91.098 -13.065 5.738 1.00 0.00 H new ATOM 0 HA ILE A 25 93.660 -13.443 4.369 1.00 0.00 H new ATOM 0 HB ILE A 25 91.153 -15.017 4.908 1.00 0.00 H new ATOM 0 HG12 ILE A 25 93.340 -14.874 6.352 1.00 0.00 H new ATOM 0 HG13 ILE A 25 92.641 -16.453 6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 25 91.962 -16.825 3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 25 91.570 -15.357 2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 25 93.267 -15.764 2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 25 95.087 -16.486 5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 25 94.197 -16.795 4.134 1.00 0.00 H new ATOM 0 HD13 ILE A 25 94.906 -15.191 4.436 1.00 0.00 H new ATOM 410 N VAL A 26 91.329 -12.138 2.800 1.00 0.00 N ATOM 411 CA VAL A 26 90.858 -11.637 1.479 1.00 0.00 C ATOM 412 C VAL A 26 91.960 -10.798 0.837 1.00 0.00 C ATOM 413 O VAL A 26 92.446 -11.102 -0.236 1.00 0.00 O ATOM 414 CB VAL A 26 89.608 -10.776 1.674 1.00 0.00 C ATOM 415 CG1 VAL A 26 89.146 -10.231 0.322 1.00 0.00 C ATOM 416 CG2 VAL A 26 88.494 -11.630 2.287 1.00 0.00 C ATOM 0 H VAL A 26 90.939 -11.652 3.608 1.00 0.00 H new ATOM 0 HA VAL A 26 90.617 -12.481 0.833 1.00 0.00 H new ATOM 0 HB VAL A 26 89.839 -9.944 2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 26 88.256 -9.618 0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 26 89.939 -9.625 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 26 88.914 -11.061 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 26 87.602 -11.019 2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 26 88.264 -12.461 1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 26 88.822 -12.019 3.251 1.00 0.00 H new ATOM 426 N LYS A 27 92.365 -9.748 1.489 1.00 0.00 N ATOM 427 CA LYS A 27 93.442 -8.891 0.925 1.00 0.00 C ATOM 428 C LYS A 27 94.698 -9.738 0.728 1.00 0.00 C ATOM 429 O LYS A 27 95.400 -9.610 -0.255 1.00 0.00 O ATOM 430 CB LYS A 27 93.744 -7.744 1.892 1.00 0.00 C ATOM 431 CG LYS A 27 92.431 -7.155 2.410 1.00 0.00 C ATOM 432 CD LYS A 27 91.495 -6.877 1.232 1.00 0.00 C ATOM 433 CE LYS A 27 90.321 -6.016 1.703 1.00 0.00 C ATOM 434 NZ LYS A 27 89.215 -6.097 0.707 1.00 0.00 N ATOM 0 H LYS A 27 91.996 -9.445 2.390 1.00 0.00 H new ATOM 0 HA LYS A 27 93.122 -8.478 -0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 27 94.347 -8.106 2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 27 94.327 -6.973 1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 27 91.959 -7.848 3.107 1.00 0.00 H new ATOM 0 HG3 LYS A 27 92.625 -6.234 2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 27 92.037 -6.367 0.436 1.00 0.00 H new ATOM 0 HD3 LYS A 27 91.128 -7.815 0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 27 89.973 -6.358 2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 27 90.641 -4.981 1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 88.417 -5.512 1.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 89.551 -5.751 -0.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 88.904 -7.085 0.613 1.00 0.00 H new ATOM 448 N ARG A 28 94.980 -10.607 1.658 1.00 0.00 N ATOM 449 CA ARG A 28 96.186 -11.472 1.534 1.00 0.00 C ATOM 450 C ARG A 28 96.058 -12.342 0.281 1.00 0.00 C ATOM 451 O ARG A 28 97.016 -12.562 -0.435 1.00 0.00 O ATOM 452 CB ARG A 28 96.298 -12.368 2.770 1.00 0.00 C ATOM 453 CG ARG A 28 97.265 -13.522 2.485 1.00 0.00 C ATOM 454 CD ARG A 28 97.585 -14.261 3.789 1.00 0.00 C ATOM 455 NE ARG A 28 97.618 -15.728 3.528 1.00 0.00 N ATOM 456 CZ ARG A 28 98.322 -16.512 4.297 1.00 0.00 C ATOM 457 NH1 ARG A 28 98.348 -17.796 4.069 1.00 0.00 N ATOM 458 NH2 ARG A 28 99.001 -16.012 5.294 1.00 0.00 N ATOM 0 H ARG A 28 94.426 -10.756 2.501 1.00 0.00 H new ATOM 0 HA ARG A 28 97.077 -10.849 1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 28 96.651 -11.787 3.622 1.00 0.00 H new ATOM 0 HB3 ARG A 28 95.317 -12.760 3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 28 96.823 -14.210 1.765 1.00 0.00 H new ATOM 0 HG3 ARG A 28 98.182 -13.139 2.038 1.00 0.00 H new ATOM 0 HD2 ARG A 28 98.545 -13.928 4.183 1.00 0.00 H new ATOM 0 HD3 ARG A 28 96.834 -14.031 4.545 1.00 0.00 H new ATOM 0 HE ARG A 28 97.090 -16.119 2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 28 97.818 -18.186 3.290 1.00 0.00 H new ATOM 0 HH12 ARG A 28 98.898 -18.410 4.670 1.00 0.00 H new ATOM 0 HH21 ARG A 28 98.981 -15.008 5.472 1.00 0.00 H new ATOM 0 HH22 ARG A 28 99.551 -16.626 5.895 1.00 0.00 H new ATOM 472 N LYS A 29 94.884 -12.843 0.011 1.00 0.00 N ATOM 473 CA LYS A 29 94.702 -13.700 -1.194 1.00 0.00 C ATOM 474 C LYS A 29 95.039 -12.898 -2.451 1.00 0.00 C ATOM 475 O LYS A 29 95.755 -13.354 -3.319 1.00 0.00 O ATOM 476 CB LYS A 29 93.250 -14.176 -1.266 1.00 0.00 C ATOM 477 CG LYS A 29 93.066 -15.078 -2.487 1.00 0.00 C ATOM 478 CD LYS A 29 91.819 -15.946 -2.302 1.00 0.00 C ATOM 479 CE LYS A 29 92.192 -17.226 -1.552 1.00 0.00 C ATOM 480 NZ LYS A 29 92.959 -18.127 -2.458 1.00 0.00 N ATOM 0 H LYS A 29 94.045 -12.696 0.572 1.00 0.00 H new ATOM 0 HA LYS A 29 95.365 -14.562 -1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 29 92.989 -14.719 -0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 29 92.579 -13.320 -1.329 1.00 0.00 H new ATOM 0 HG2 LYS A 29 92.969 -14.472 -3.388 1.00 0.00 H new ATOM 0 HG3 LYS A 29 93.944 -15.710 -2.621 1.00 0.00 H new ATOM 0 HD2 LYS A 29 91.059 -15.395 -1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 29 91.388 -16.193 -3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.788 -16.984 -0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 29 91.292 -17.729 -1.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 92.852 -19.112 -2.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 92.596 -18.035 -3.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 93.965 -17.864 -2.438 1.00 0.00 H new ATOM 494 N LEU A 30 94.520 -11.708 -2.558 1.00 0.00 N ATOM 495 CA LEU A 30 94.802 -10.876 -3.763 1.00 0.00 C ATOM 496 C LEU A 30 96.090 -10.092 -3.566 1.00 0.00 C ATOM 497 O LEU A 30 96.643 -9.525 -4.487 1.00 0.00 O ATOM 498 CB LEU A 30 93.637 -9.916 -4.020 1.00 0.00 C ATOM 499 CG LEU A 30 93.374 -9.072 -2.766 1.00 0.00 C ATOM 500 CD1 LEU A 30 94.048 -7.706 -2.914 1.00 0.00 C ATOM 501 CD2 LEU A 30 91.867 -8.877 -2.588 1.00 0.00 C ATOM 0 H LEU A 30 93.912 -11.274 -1.864 1.00 0.00 H new ATOM 0 HA LEU A 30 94.917 -11.531 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 30 93.868 -9.267 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 30 92.742 -10.478 -4.286 1.00 0.00 H new ATOM 0 HG LEU A 30 93.781 -9.585 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 30 93.860 -7.109 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 30 95.122 -7.842 -3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 30 93.643 -7.193 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 30 91.680 -8.277 -1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 30 91.461 -8.366 -3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 30 91.385 -9.848 -2.479 1.00 0.00 H new ATOM 513 N ALA A 31 96.559 -10.059 -2.368 1.00 0.00 N ATOM 514 CA ALA A 31 97.815 -9.312 -2.068 1.00 0.00 C ATOM 515 C ALA A 31 98.916 -9.752 -3.035 1.00 0.00 C ATOM 516 O ALA A 31 99.542 -8.941 -3.688 1.00 0.00 O ATOM 517 CB ALA A 31 98.259 -9.603 -0.633 1.00 0.00 C ATOM 0 H ALA A 31 96.130 -10.519 -1.566 1.00 0.00 H new ATOM 0 HA ALA A 31 97.632 -8.244 -2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 31 99.177 -9.056 -0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 31 97.478 -9.289 0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 31 98.439 -10.672 -0.517 1.00 0.00 H new ATOM 523 N ALA A 32 99.158 -11.031 -3.132 1.00 0.00 N ATOM 524 CA ALA A 32 100.221 -11.518 -4.056 1.00 0.00 C ATOM 525 C ALA A 32 99.906 -11.058 -5.479 1.00 0.00 C ATOM 526 O ALA A 32 100.793 -10.817 -6.275 1.00 0.00 O ATOM 527 CB ALA A 32 100.274 -13.046 -4.011 1.00 0.00 C ATOM 0 H ALA A 32 98.667 -11.758 -2.612 1.00 0.00 H new ATOM 0 HA ALA A 32 101.185 -11.113 -3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 32 101.051 -13.403 -4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 32 100.498 -13.373 -2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 32 99.311 -13.453 -4.319 1.00 0.00 H new ATOM 533 N HIS A 33 98.650 -10.934 -5.809 1.00 0.00 N ATOM 534 CA HIS A 33 98.280 -10.488 -7.180 1.00 0.00 C ATOM 535 C HIS A 33 98.112 -8.969 -7.192 1.00 0.00 C ATOM 536 O HIS A 33 97.275 -8.431 -7.890 1.00 0.00 O ATOM 537 CB HIS A 33 96.965 -11.151 -7.596 1.00 0.00 C ATOM 538 CG HIS A 33 97.242 -12.539 -8.106 1.00 0.00 C ATOM 539 ND1 HIS A 33 96.585 -13.068 -9.208 1.00 0.00 N ATOM 540 CD2 HIS A 33 98.105 -13.518 -7.677 1.00 0.00 C ATOM 541 CE1 HIS A 33 97.057 -14.314 -9.402 1.00 0.00 C ATOM 542 NE2 HIS A 33 97.983 -14.634 -8.497 1.00 0.00 N ATOM 0 H HIS A 33 97.864 -11.123 -5.187 1.00 0.00 H new ATOM 0 HA HIS A 33 99.066 -10.773 -7.880 1.00 0.00 H new ATOM 0 HB2 HIS A 33 96.282 -11.193 -6.747 1.00 0.00 H new ATOM 0 HB3 HIS A 33 96.476 -10.559 -8.369 1.00 0.00 H new ATOM 0 HD2 HIS A 33 98.774 -13.434 -6.834 1.00 0.00 H new ATOM 0 HE1 HIS A 33 96.727 -14.972 -10.192 1.00 0.00 H new ATOM 0 HE2 HIS A 33 98.494 -15.513 -8.422 1.00 0.00 H new ATOM 550 N ASP A 34 98.902 -8.273 -6.420 1.00 0.00 N ATOM 551 CA ASP A 34 98.796 -6.789 -6.378 1.00 0.00 C ATOM 552 C ASP A 34 100.105 -6.170 -6.872 1.00 0.00 C ATOM 553 O ASP A 34 100.885 -5.648 -6.101 1.00 0.00 O ATOM 554 CB ASP A 34 98.527 -6.337 -4.941 1.00 0.00 C ATOM 555 CG ASP A 34 98.425 -4.811 -4.896 1.00 0.00 C ATOM 556 OD1 ASP A 34 98.667 -4.191 -5.918 1.00 0.00 O ATOM 557 OD2 ASP A 34 98.107 -4.290 -3.841 1.00 0.00 O ATOM 0 H ASP A 34 99.619 -8.672 -5.814 1.00 0.00 H new ATOM 0 HA ASP A 34 97.977 -6.465 -7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 34 97.603 -6.785 -4.575 1.00 0.00 H new ATOM 0 HB3 ASP A 34 99.328 -6.678 -4.285 1.00 0.00 H new ATOM 562 N ASN A 35 100.353 -6.225 -8.152 1.00 0.00 N ATOM 563 CA ASN A 35 101.610 -5.641 -8.694 1.00 0.00 C ATOM 564 C ASN A 35 101.392 -4.156 -8.991 1.00 0.00 C ATOM 565 O ASN A 35 101.783 -3.653 -10.025 1.00 0.00 O ATOM 566 CB ASN A 35 102.006 -6.372 -9.978 1.00 0.00 C ATOM 567 CG ASN A 35 100.762 -6.601 -10.839 1.00 0.00 C ATOM 568 OD1 ASN A 35 99.860 -7.459 -10.445 1.00 0.00 O flip ATOM 569 ND2 ASN A 35 100.609 -5.995 -11.880 1.00 0.00 N flip ATOM 0 H ASN A 35 99.738 -6.650 -8.846 1.00 0.00 H new ATOM 0 HA ASN A 35 102.408 -5.751 -7.960 1.00 0.00 H new ATOM 0 HB2 ASN A 35 102.741 -5.787 -10.530 1.00 0.00 H new ATOM 0 HB3 ASN A 35 102.475 -7.326 -9.736 1.00 0.00 H new ATOM 0 HD21 ASN A 35 101.313 -5.325 -12.188 1.00 0.00 H new ATOM 0 HD22 ASN A 35 99.776 -6.156 -12.446 1.00 0.00 H new ATOM 576 N LEU A 36 100.751 -3.462 -8.096 1.00 0.00 N ATOM 577 CA LEU A 36 100.475 -2.013 -8.310 1.00 0.00 C ATOM 578 C LEU A 36 101.663 -1.310 -8.980 1.00 0.00 C ATOM 579 O LEU A 36 102.765 -1.832 -9.066 1.00 0.00 O ATOM 580 CB LEU A 36 100.189 -1.344 -6.960 1.00 0.00 C ATOM 581 CG LEU A 36 101.462 -1.314 -6.104 1.00 0.00 C ATOM 582 CD1 LEU A 36 101.465 -0.054 -5.236 1.00 0.00 C ATOM 583 CD2 LEU A 36 101.502 -2.550 -5.202 1.00 0.00 C ATOM 0 H LEU A 36 100.402 -3.839 -7.215 1.00 0.00 H new ATOM 0 HA LEU A 36 99.610 -1.926 -8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 36 99.825 -0.329 -7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 36 99.402 -1.887 -6.436 1.00 0.00 H new ATOM 0 HG LEU A 36 102.335 -1.310 -6.756 1.00 0.00 H new ATOM 0 HD11 LEU A 36 102.369 -0.033 -4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 36 101.437 0.828 -5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 36 100.591 -0.058 -4.585 1.00 0.00 H new ATOM 0 HD21 LEU A 36 102.407 -2.528 -4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 36 100.628 -2.554 -4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 36 101.500 -3.450 -5.817 1.00 0.00 H new ATOM 595 N LYS A 37 101.427 -0.106 -9.436 1.00 0.00 N ATOM 596 CA LYS A 37 102.497 0.695 -10.093 1.00 0.00 C ATOM 597 C LYS A 37 102.947 1.787 -9.124 1.00 0.00 C ATOM 598 O LYS A 37 102.161 2.300 -8.353 1.00 0.00 O ATOM 599 CB LYS A 37 101.936 1.349 -11.355 1.00 0.00 C ATOM 600 CG LYS A 37 103.085 1.876 -12.215 1.00 0.00 C ATOM 601 CD LYS A 37 102.530 2.803 -13.299 1.00 0.00 C ATOM 602 CE LYS A 37 101.822 1.971 -14.369 1.00 0.00 C ATOM 603 NZ LYS A 37 101.520 2.831 -15.548 1.00 0.00 N ATOM 0 H LYS A 37 100.522 0.361 -9.378 1.00 0.00 H new ATOM 0 HA LYS A 37 103.337 0.053 -10.358 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.347 0.626 -11.920 1.00 0.00 H new ATOM 0 HB3 LYS A 37 101.266 2.165 -11.086 1.00 0.00 H new ATOM 0 HG2 LYS A 37 103.801 2.414 -11.594 1.00 0.00 H new ATOM 0 HG3 LYS A 37 103.621 1.045 -12.673 1.00 0.00 H new ATOM 0 HD2 LYS A 37 101.834 3.518 -12.860 1.00 0.00 H new ATOM 0 HD3 LYS A 37 103.339 3.380 -13.748 1.00 0.00 H new ATOM 0 HE2 LYS A 37 102.451 1.133 -14.668 1.00 0.00 H new ATOM 0 HE3 LYS A 37 100.900 1.550 -13.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 101.038 2.265 -16.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 100.904 3.616 -15.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 102.407 3.212 -15.936 1.00 0.00 H new ATOM 617 N LEU A 38 104.199 2.147 -9.145 1.00 0.00 N ATOM 618 CA LEU A 38 104.672 3.205 -8.208 1.00 0.00 C ATOM 619 C LEU A 38 105.651 4.141 -8.915 1.00 0.00 C ATOM 620 O LEU A 38 106.663 3.721 -9.440 1.00 0.00 O ATOM 621 CB LEU A 38 105.370 2.557 -7.008 1.00 0.00 C ATOM 622 CG LEU A 38 104.609 1.300 -6.578 1.00 0.00 C ATOM 623 CD1 LEU A 38 105.121 0.092 -7.371 1.00 0.00 C ATOM 624 CD2 LEU A 38 104.823 1.058 -5.078 1.00 0.00 C ATOM 0 H LEU A 38 104.911 1.759 -9.764 1.00 0.00 H new ATOM 0 HA LEU A 38 103.811 3.780 -7.867 1.00 0.00 H new ATOM 0 HB2 LEU A 38 106.397 2.300 -7.269 1.00 0.00 H new ATOM 0 HB3 LEU A 38 105.419 3.264 -6.180 1.00 0.00 H new ATOM 0 HG LEU A 38 103.546 1.437 -6.775 1.00 0.00 H new ATOM 0 HD11 LEU A 38 104.578 -0.802 -7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 38 104.965 0.263 -8.436 1.00 0.00 H new ATOM 0 HD13 LEU A 38 106.185 -0.045 -7.178 1.00 0.00 H new ATOM 0 HD21 LEU A 38 104.281 0.163 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 38 105.886 0.924 -4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 38 104.454 1.915 -4.515 1.00 0.00 H new ATOM 636 N THR A 39 105.365 5.414 -8.909 1.00 0.00 N ATOM 637 CA THR A 39 106.283 6.394 -9.551 1.00 0.00 C ATOM 638 C THR A 39 107.049 7.117 -8.445 1.00 0.00 C ATOM 639 O THR A 39 106.473 7.817 -7.638 1.00 0.00 O ATOM 640 CB THR A 39 105.475 7.403 -10.369 1.00 0.00 C ATOM 641 OG1 THR A 39 104.484 6.716 -11.121 1.00 0.00 O ATOM 642 CG2 THR A 39 106.407 8.157 -11.318 1.00 0.00 C ATOM 0 H THR A 39 104.530 5.818 -8.485 1.00 0.00 H new ATOM 0 HA THR A 39 106.976 5.883 -10.219 1.00 0.00 H new ATOM 0 HB THR A 39 104.994 8.113 -9.697 1.00 0.00 H new ATOM 0 HG1 THR A 39 103.964 7.362 -11.644 1.00 0.00 H new ATOM 0 HG21 THR A 39 105.830 8.875 -11.900 1.00 0.00 H new ATOM 0 HG22 THR A 39 107.166 8.684 -10.740 1.00 0.00 H new ATOM 0 HG23 THR A 39 106.891 7.449 -11.991 1.00 0.00 H new ATOM 650 N ILE A 40 108.339 6.934 -8.381 1.00 0.00 N ATOM 651 CA ILE A 40 109.126 7.594 -7.297 1.00 0.00 C ATOM 652 C ILE A 40 109.981 8.726 -7.864 1.00 0.00 C ATOM 653 O ILE A 40 110.585 8.604 -8.910 1.00 0.00 O ATOM 654 CB ILE A 40 110.040 6.563 -6.633 1.00 0.00 C ATOM 655 CG1 ILE A 40 109.210 5.361 -6.173 1.00 0.00 C ATOM 656 CG2 ILE A 40 110.726 7.197 -5.422 1.00 0.00 C ATOM 657 CD1 ILE A 40 108.731 4.563 -7.390 1.00 0.00 C ATOM 0 H ILE A 40 108.881 6.360 -9.027 1.00 0.00 H new ATOM 0 HA ILE A 40 108.431 8.008 -6.566 1.00 0.00 H new ATOM 0 HB ILE A 40 110.792 6.232 -7.349 1.00 0.00 H new ATOM 0 HG12 ILE A 40 109.807 4.723 -5.521 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.354 5.701 -5.590 1.00 0.00 H new ATOM 0 HG21 ILE A 40 111.378 6.463 -4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 40 111.318 8.053 -5.746 1.00 0.00 H new ATOM 0 HG23 ILE A 40 109.972 7.527 -4.708 1.00 0.00 H new ATOM 0 HD11 ILE A 40 108.141 3.709 -7.056 1.00 0.00 H new ATOM 0 HD12 ILE A 40 108.117 5.202 -8.025 1.00 0.00 H new ATOM 0 HD13 ILE A 40 109.593 4.209 -7.956 1.00 0.00 H new ATOM 669 N THR A 41 110.046 9.824 -7.160 1.00 0.00 N ATOM 670 CA THR A 41 110.870 10.970 -7.619 1.00 0.00 C ATOM 671 C THR A 41 111.740 11.441 -6.453 1.00 0.00 C ATOM 672 O THR A 41 111.383 11.285 -5.302 1.00 0.00 O ATOM 673 CB THR A 41 109.957 12.110 -8.067 1.00 0.00 C ATOM 674 OG1 THR A 41 108.790 11.572 -8.671 1.00 0.00 O ATOM 675 CG2 THR A 41 110.696 12.994 -9.075 1.00 0.00 C ATOM 0 H THR A 41 109.557 9.974 -6.278 1.00 0.00 H new ATOM 0 HA THR A 41 111.498 10.666 -8.457 1.00 0.00 H new ATOM 0 HB THR A 41 109.674 12.709 -7.202 1.00 0.00 H new ATOM 0 HG1 THR A 41 108.203 12.303 -8.957 1.00 0.00 H new ATOM 0 HG21 THR A 41 110.043 13.807 -9.393 1.00 0.00 H new ATOM 0 HG22 THR A 41 111.590 13.408 -8.609 1.00 0.00 H new ATOM 0 HG23 THR A 41 110.982 12.397 -9.941 1.00 0.00 H new ATOM 683 N GLN A 42 112.878 12.010 -6.733 1.00 0.00 N ATOM 684 CA GLN A 42 113.763 12.483 -5.630 1.00 0.00 C ATOM 685 C GLN A 42 114.325 13.861 -5.980 1.00 0.00 C ATOM 686 O GLN A 42 114.584 14.157 -7.129 1.00 0.00 O ATOM 687 CB GLN A 42 114.918 11.494 -5.444 1.00 0.00 C ATOM 688 CG GLN A 42 115.841 11.991 -4.330 1.00 0.00 C ATOM 689 CD GLN A 42 116.636 10.814 -3.762 1.00 0.00 C ATOM 690 OE1 GLN A 42 116.328 10.315 -2.699 1.00 0.00 O ATOM 691 NE2 GLN A 42 117.654 10.346 -4.432 1.00 0.00 N ATOM 0 H GLN A 42 113.234 12.168 -7.675 1.00 0.00 H new ATOM 0 HA GLN A 42 113.188 12.550 -4.707 1.00 0.00 H new ATOM 0 HB2 GLN A 42 114.529 10.507 -5.195 1.00 0.00 H new ATOM 0 HB3 GLN A 42 115.476 11.391 -6.375 1.00 0.00 H new ATOM 0 HG2 GLN A 42 116.521 12.749 -4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 42 115.255 12.462 -3.541 1.00 0.00 H new ATOM 0 HE21 GLN A 42 117.913 10.765 -5.325 1.00 0.00 H new ATOM 0 HE22 GLN A 42 118.190 9.561 -4.062 1.00 0.00 H new ATOM 700 N GLU A 43 114.518 14.711 -5.005 1.00 0.00 N ATOM 701 CA GLU A 43 115.064 16.062 -5.308 1.00 0.00 C ATOM 702 C GLU A 43 115.885 16.570 -4.120 1.00 0.00 C ATOM 703 O GLU A 43 115.432 17.382 -3.338 1.00 0.00 O ATOM 704 CB GLU A 43 113.907 17.026 -5.587 1.00 0.00 C ATOM 705 CG GLU A 43 113.623 17.065 -7.091 1.00 0.00 C ATOM 706 CD GLU A 43 112.541 18.108 -7.380 1.00 0.00 C ATOM 707 OE1 GLU A 43 112.880 19.152 -7.910 1.00 0.00 O ATOM 708 OE2 GLU A 43 111.393 17.843 -7.066 1.00 0.00 O ATOM 0 H GLU A 43 114.322 14.528 -4.021 1.00 0.00 H new ATOM 0 HA GLU A 43 115.708 16.003 -6.185 1.00 0.00 H new ATOM 0 HB2 GLU A 43 113.016 16.707 -5.046 1.00 0.00 H new ATOM 0 HB3 GLU A 43 114.157 18.024 -5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 43 114.534 17.310 -7.637 1.00 0.00 H new ATOM 0 HG3 GLU A 43 113.298 16.083 -7.436 1.00 0.00 H new ATOM 715 N GLY A 44 117.098 16.108 -3.991 1.00 0.00 N ATOM 716 CA GLY A 44 117.962 16.572 -2.869 1.00 0.00 C ATOM 717 C GLY A 44 117.369 16.153 -1.520 1.00 0.00 C ATOM 718 O GLY A 44 117.663 15.092 -1.006 1.00 0.00 O ATOM 0 H GLY A 44 117.529 15.427 -4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 44 118.963 16.154 -2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 44 118.064 17.657 -2.906 1.00 0.00 H new ATOM 722 N ASN A 45 116.554 16.989 -0.934 1.00 0.00 N ATOM 723 CA ASN A 45 115.960 16.657 0.396 1.00 0.00 C ATOM 724 C ASN A 45 114.434 16.635 0.309 1.00 0.00 C ATOM 725 O ASN A 45 113.748 16.890 1.277 1.00 0.00 O ATOM 726 CB ASN A 45 116.396 17.699 1.427 1.00 0.00 C ATOM 727 CG ASN A 45 117.781 18.237 1.058 1.00 0.00 C ATOM 728 OD1 ASN A 45 118.786 17.684 1.457 1.00 0.00 O ATOM 729 ND2 ASN A 45 117.875 19.299 0.307 1.00 0.00 N ATOM 0 H ASN A 45 116.273 17.890 -1.319 1.00 0.00 H new ATOM 0 HA ASN A 45 116.310 15.670 0.699 1.00 0.00 H new ATOM 0 HB2 ASN A 45 115.675 18.516 1.461 1.00 0.00 H new ATOM 0 HB3 ASN A 45 116.421 17.253 2.421 1.00 0.00 H new ATOM 0 HD21 ASN A 45 118.793 19.665 0.054 1.00 0.00 H new ATOM 0 HD22 ASN A 45 117.031 19.763 -0.028 1.00 0.00 H new ATOM 736 N LYS A 46 113.894 16.322 -0.831 1.00 0.00 N ATOM 737 CA LYS A 46 112.426 16.272 -0.962 1.00 0.00 C ATOM 738 C LYS A 46 112.086 15.275 -2.056 1.00 0.00 C ATOM 739 O LYS A 46 112.361 15.473 -3.223 1.00 0.00 O ATOM 740 CB LYS A 46 111.882 17.651 -1.321 1.00 0.00 C ATOM 741 CG LYS A 46 112.214 17.974 -2.776 1.00 0.00 C ATOM 742 CD LYS A 46 112.205 19.487 -2.955 1.00 0.00 C ATOM 743 CE LYS A 46 112.359 19.841 -4.438 1.00 0.00 C ATOM 744 NZ LYS A 46 113.764 20.255 -4.706 1.00 0.00 N ATOM 0 H LYS A 46 114.414 16.098 -1.680 1.00 0.00 H new ATOM 0 HA LYS A 46 111.974 15.966 -0.018 1.00 0.00 H new ATOM 0 HB2 LYS A 46 110.803 17.677 -1.170 1.00 0.00 H new ATOM 0 HB3 LYS A 46 112.314 18.405 -0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 46 113.191 17.568 -3.040 1.00 0.00 H new ATOM 0 HG3 LYS A 46 111.486 17.510 -3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 46 111.274 19.901 -2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 46 113.016 19.934 -2.380 1.00 0.00 H new ATOM 0 HE2 LYS A 46 112.097 18.983 -5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 46 111.674 20.646 -4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 114.006 20.042 -5.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 113.863 21.277 -4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 114.406 19.736 -4.073 1.00 0.00 H new ATOM 758 N PHE A 47 111.503 14.196 -1.667 1.00 0.00 N ATOM 759 CA PHE A 47 111.135 13.136 -2.642 1.00 0.00 C ATOM 760 C PHE A 47 109.627 13.139 -2.854 1.00 0.00 C ATOM 761 O PHE A 47 108.898 13.855 -2.197 1.00 0.00 O ATOM 762 CB PHE A 47 111.580 11.770 -2.113 1.00 0.00 C ATOM 763 CG PHE A 47 111.298 11.680 -0.633 1.00 0.00 C ATOM 764 CD1 PHE A 47 112.358 11.678 0.282 1.00 0.00 C ATOM 765 CD2 PHE A 47 109.978 11.596 -0.175 1.00 0.00 C ATOM 766 CE1 PHE A 47 112.097 11.591 1.655 1.00 0.00 C ATOM 767 CE2 PHE A 47 109.717 11.510 1.198 1.00 0.00 C ATOM 768 CZ PHE A 47 110.777 11.507 2.113 1.00 0.00 C ATOM 0 H PHE A 47 111.257 13.991 -0.699 1.00 0.00 H new ATOM 0 HA PHE A 47 111.633 13.331 -3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 47 111.054 10.976 -2.642 1.00 0.00 H new ATOM 0 HB3 PHE A 47 112.644 11.626 -2.299 1.00 0.00 H new ATOM 0 HD1 PHE A 47 113.377 11.744 -0.071 1.00 0.00 H new ATOM 0 HD2 PHE A 47 109.161 11.598 -0.881 1.00 0.00 H new ATOM 0 HE1 PHE A 47 112.914 11.589 2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 47 108.698 11.446 1.551 1.00 0.00 H new ATOM 0 HZ PHE A 47 110.576 11.440 3.172 1.00 0.00 H new ATOM 778 N THR A 48 109.150 12.342 -3.768 1.00 0.00 N ATOM 779 CA THR A 48 107.698 12.295 -4.024 1.00 0.00 C ATOM 780 C THR A 48 107.322 10.882 -4.458 1.00 0.00 C ATOM 781 O THR A 48 107.551 10.479 -5.581 1.00 0.00 O ATOM 782 CB THR A 48 107.353 13.275 -5.148 1.00 0.00 C ATOM 783 OG1 THR A 48 107.980 14.524 -4.899 1.00 0.00 O ATOM 784 CG2 THR A 48 105.835 13.463 -5.224 1.00 0.00 C ATOM 0 H THR A 48 109.713 11.720 -4.348 1.00 0.00 H new ATOM 0 HA THR A 48 107.151 12.567 -3.121 1.00 0.00 H new ATOM 0 HB THR A 48 107.711 12.875 -6.097 1.00 0.00 H new ATOM 0 HG1 THR A 48 107.760 15.150 -5.620 1.00 0.00 H new ATOM 0 HG21 THR A 48 105.595 14.161 -6.026 1.00 0.00 H new ATOM 0 HG22 THR A 48 105.359 12.503 -5.424 1.00 0.00 H new ATOM 0 HG23 THR A 48 105.469 13.859 -4.276 1.00 0.00 H new ATOM 792 N VAL A 49 106.742 10.134 -3.574 1.00 0.00 N ATOM 793 CA VAL A 49 106.336 8.744 -3.914 1.00 0.00 C ATOM 794 C VAL A 49 104.888 8.751 -4.410 1.00 0.00 C ATOM 795 O VAL A 49 103.975 9.080 -3.679 1.00 0.00 O ATOM 796 CB VAL A 49 106.445 7.860 -2.670 1.00 0.00 C ATOM 797 CG1 VAL A 49 106.213 6.400 -3.058 1.00 0.00 C ATOM 798 CG2 VAL A 49 107.842 8.009 -2.062 1.00 0.00 C ATOM 0 H VAL A 49 106.528 10.425 -2.620 1.00 0.00 H new ATOM 0 HA VAL A 49 106.989 8.352 -4.693 1.00 0.00 H new ATOM 0 HB VAL A 49 105.694 8.165 -1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 49 106.291 5.771 -2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 49 105.219 6.293 -3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 49 106.963 6.094 -3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 49 107.922 7.380 -1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 49 108.591 7.704 -2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 49 108.009 9.050 -1.785 1.00 0.00 H new ATOM 808 N LYS A 50 104.671 8.400 -5.649 1.00 0.00 N ATOM 809 CA LYS A 50 103.282 8.397 -6.191 1.00 0.00 C ATOM 810 C LYS A 50 102.839 6.959 -6.481 1.00 0.00 C ATOM 811 O LYS A 50 103.189 6.383 -7.491 1.00 0.00 O ATOM 812 CB LYS A 50 103.243 9.217 -7.486 1.00 0.00 C ATOM 813 CG LYS A 50 102.793 10.646 -7.177 1.00 0.00 C ATOM 814 CD LYS A 50 102.672 11.437 -8.481 1.00 0.00 C ATOM 815 CE LYS A 50 102.077 12.816 -8.190 1.00 0.00 C ATOM 816 NZ LYS A 50 101.486 13.376 -9.438 1.00 0.00 N ATOM 0 H LYS A 50 105.395 8.115 -6.309 1.00 0.00 H new ATOM 0 HA LYS A 50 102.606 8.837 -5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 50 104.229 9.228 -7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 50 102.560 8.756 -8.199 1.00 0.00 H new ATOM 0 HG2 LYS A 50 101.835 10.632 -6.657 1.00 0.00 H new ATOM 0 HG3 LYS A 50 103.509 11.128 -6.512 1.00 0.00 H new ATOM 0 HD2 LYS A 50 103.652 11.543 -8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 50 102.040 10.899 -9.188 1.00 0.00 H new ATOM 0 HE2 LYS A 50 101.313 12.738 -7.416 1.00 0.00 H new ATOM 0 HE3 LYS A 50 102.849 13.484 -7.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 101.081 14.313 -9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 102.226 13.464 -10.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 100.737 12.742 -9.783 1.00 0.00 H new ATOM 830 N GLU A 51 102.062 6.381 -5.605 1.00 0.00 N ATOM 831 CA GLU A 51 101.588 4.987 -5.835 1.00 0.00 C ATOM 832 C GLU A 51 100.367 5.024 -6.756 1.00 0.00 C ATOM 833 O GLU A 51 99.679 6.022 -6.843 1.00 0.00 O ATOM 834 CB GLU A 51 101.200 4.352 -4.497 1.00 0.00 C ATOM 835 CG GLU A 51 102.454 4.152 -3.645 1.00 0.00 C ATOM 836 CD GLU A 51 102.142 3.195 -2.493 1.00 0.00 C ATOM 837 OE1 GLU A 51 100.972 2.930 -2.269 1.00 0.00 O ATOM 838 OE2 GLU A 51 103.078 2.742 -1.855 1.00 0.00 O ATOM 0 H GLU A 51 101.736 6.814 -4.741 1.00 0.00 H new ATOM 0 HA GLU A 51 102.381 4.398 -6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 51 100.489 4.990 -3.972 1.00 0.00 H new ATOM 0 HB3 GLU A 51 100.706 3.395 -4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 51 103.262 3.750 -4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 51 102.797 5.110 -3.253 1.00 0.00 H new ATOM 845 N SER A 52 100.080 3.946 -7.436 1.00 0.00 N ATOM 846 CA SER A 52 98.903 3.933 -8.331 1.00 0.00 C ATOM 847 C SER A 52 98.479 2.493 -8.569 1.00 0.00 C ATOM 848 O SER A 52 99.112 1.744 -9.285 1.00 0.00 O ATOM 849 CB SER A 52 99.261 4.590 -9.664 1.00 0.00 C ATOM 850 OG SER A 52 100.083 5.725 -9.423 1.00 0.00 O ATOM 0 H SER A 52 100.614 3.077 -7.406 1.00 0.00 H new ATOM 0 HA SER A 52 98.085 4.487 -7.870 1.00 0.00 H new ATOM 0 HB2 SER A 52 99.782 3.879 -10.305 1.00 0.00 H new ATOM 0 HB3 SER A 52 98.354 4.888 -10.191 1.00 0.00 H new ATOM 0 HG SER A 52 99.765 6.195 -8.624 1.00 0.00 H new ATOM 856 N SER A 53 97.395 2.120 -7.972 1.00 0.00 N ATOM 857 CA SER A 53 96.872 0.743 -8.136 1.00 0.00 C ATOM 858 C SER A 53 95.370 0.824 -8.399 1.00 0.00 C ATOM 859 O SER A 53 94.684 1.671 -7.861 1.00 0.00 O ATOM 860 CB SER A 53 97.125 -0.056 -6.857 1.00 0.00 C ATOM 861 OG SER A 53 95.928 -0.110 -6.093 1.00 0.00 O ATOM 0 H SER A 53 96.836 2.720 -7.365 1.00 0.00 H new ATOM 0 HA SER A 53 97.372 0.249 -8.969 1.00 0.00 H new ATOM 0 HB2 SER A 53 97.458 -1.064 -7.104 1.00 0.00 H new ATOM 0 HB3 SER A 53 97.921 0.409 -6.275 1.00 0.00 H new ATOM 0 HG SER A 53 96.147 -0.280 -5.153 1.00 0.00 H new ATOM 867 N ALA A 54 94.849 -0.043 -9.216 1.00 0.00 N ATOM 868 CA ALA A 54 93.390 -0.004 -9.501 1.00 0.00 C ATOM 869 C ALA A 54 92.612 -0.151 -8.191 1.00 0.00 C ATOM 870 O ALA A 54 91.407 -0.305 -8.192 1.00 0.00 O ATOM 871 CB ALA A 54 93.023 -1.152 -10.444 1.00 0.00 C ATOM 0 H ALA A 54 95.368 -0.776 -9.699 1.00 0.00 H new ATOM 0 HA ALA A 54 93.136 0.946 -9.971 1.00 0.00 H new ATOM 0 HB1 ALA A 54 91.954 -1.124 -10.653 1.00 0.00 H new ATOM 0 HB2 ALA A 54 93.578 -1.048 -11.376 1.00 0.00 H new ATOM 0 HB3 ALA A 54 93.276 -2.103 -9.975 1.00 0.00 H new ATOM 877 N PHE A 55 93.292 -0.126 -7.073 1.00 0.00 N ATOM 878 CA PHE A 55 92.589 -0.287 -5.771 1.00 0.00 C ATOM 879 C PHE A 55 92.637 1.008 -4.950 1.00 0.00 C ATOM 880 O PHE A 55 91.838 1.193 -4.054 1.00 0.00 O ATOM 881 CB PHE A 55 93.249 -1.415 -4.977 1.00 0.00 C ATOM 882 CG PHE A 55 92.776 -2.746 -5.506 1.00 0.00 C ATOM 883 CD1 PHE A 55 93.542 -3.435 -6.454 1.00 0.00 C ATOM 884 CD2 PHE A 55 91.571 -3.293 -5.050 1.00 0.00 C ATOM 885 CE1 PHE A 55 93.103 -4.671 -6.945 1.00 0.00 C ATOM 886 CE2 PHE A 55 91.131 -4.529 -5.541 1.00 0.00 C ATOM 887 CZ PHE A 55 91.898 -5.216 -6.489 1.00 0.00 C ATOM 0 H PHE A 55 94.302 -0.001 -7.009 1.00 0.00 H new ATOM 0 HA PHE A 55 91.545 -0.527 -5.972 1.00 0.00 H new ATOM 0 HB2 PHE A 55 94.334 -1.344 -5.058 1.00 0.00 H new ATOM 0 HB3 PHE A 55 93.001 -1.323 -3.920 1.00 0.00 H new ATOM 0 HD1 PHE A 55 94.472 -3.013 -6.807 1.00 0.00 H new ATOM 0 HD2 PHE A 55 90.980 -2.762 -4.319 1.00 0.00 H new ATOM 0 HE1 PHE A 55 93.694 -5.203 -7.675 1.00 0.00 H new ATOM 0 HE2 PHE A 55 90.201 -4.951 -5.189 1.00 0.00 H new ATOM 0 HZ PHE A 55 91.559 -6.168 -6.869 1.00 0.00 H new ATOM 897 N ARG A 56 93.555 1.907 -5.224 1.00 0.00 N ATOM 898 CA ARG A 56 93.610 3.166 -4.425 1.00 0.00 C ATOM 899 C ARG A 56 94.964 3.846 -4.628 1.00 0.00 C ATOM 900 O ARG A 56 95.882 3.670 -3.852 1.00 0.00 O ATOM 901 CB ARG A 56 93.426 2.846 -2.935 1.00 0.00 C ATOM 902 CG ARG A 56 92.024 3.270 -2.481 1.00 0.00 C ATOM 903 CD ARG A 56 92.052 4.738 -2.053 1.00 0.00 C ATOM 904 NE ARG A 56 90.657 5.249 -1.944 1.00 0.00 N ATOM 905 CZ ARG A 56 90.439 6.530 -1.827 1.00 0.00 C ATOM 906 NH1 ARG A 56 89.217 6.978 -1.731 1.00 0.00 N ATOM 907 NH2 ARG A 56 91.443 7.363 -1.804 1.00 0.00 N ATOM 0 H ARG A 56 94.259 1.822 -5.958 1.00 0.00 H new ATOM 0 HA ARG A 56 92.812 3.831 -4.756 1.00 0.00 H new ATOM 0 HB2 ARG A 56 93.567 1.779 -2.763 1.00 0.00 H new ATOM 0 HB3 ARG A 56 94.182 3.366 -2.346 1.00 0.00 H new ATOM 0 HG2 ARG A 56 91.309 3.130 -3.292 1.00 0.00 H new ATOM 0 HG3 ARG A 56 91.693 2.644 -1.652 1.00 0.00 H new ATOM 0 HD2 ARG A 56 92.564 4.839 -1.096 1.00 0.00 H new ATOM 0 HD3 ARG A 56 92.612 5.329 -2.778 1.00 0.00 H new ATOM 0 HE ARG A 56 89.872 4.598 -1.961 1.00 0.00 H new ATOM 0 HH11 ARG A 56 88.432 6.327 -1.747 1.00 0.00 H new ATOM 0 HH12 ARG A 56 89.047 7.980 -1.640 1.00 0.00 H new ATOM 0 HH21 ARG A 56 92.398 7.013 -1.878 1.00 0.00 H new ATOM 0 HH22 ARG A 56 91.273 8.365 -1.713 1.00 0.00 H new ATOM 921 N ASN A 57 95.092 4.623 -5.662 1.00 0.00 N ATOM 922 CA ASN A 57 96.385 5.321 -5.912 1.00 0.00 C ATOM 923 C ASN A 57 96.668 6.290 -4.761 1.00 0.00 C ATOM 924 O ASN A 57 95.765 6.866 -4.187 1.00 0.00 O ATOM 925 CB ASN A 57 96.301 6.100 -7.226 1.00 0.00 C ATOM 926 CG ASN A 57 95.240 7.196 -7.102 1.00 0.00 C ATOM 927 OD1 ASN A 57 94.180 6.983 -6.372 1.00 0.00 O flip ATOM 928 ND2 ASN A 57 95.378 8.259 -7.677 1.00 0.00 N flip ATOM 0 H ASN A 57 94.359 4.807 -6.347 1.00 0.00 H new ATOM 0 HA ASN A 57 97.188 4.587 -5.978 1.00 0.00 H new ATOM 0 HB2 ASN A 57 97.269 6.541 -7.462 1.00 0.00 H new ATOM 0 HB3 ASN A 57 96.049 5.426 -8.045 1.00 0.00 H new ATOM 0 HD21 ASN A 57 96.207 8.426 -8.248 1.00 0.00 H new ATOM 0 HD22 ASN A 57 94.665 8.983 -7.588 1.00 0.00 H new ATOM 935 N ILE A 58 97.914 6.466 -4.410 1.00 0.00 N ATOM 936 CA ILE A 58 98.251 7.382 -3.288 1.00 0.00 C ATOM 937 C ILE A 58 99.468 8.230 -3.644 1.00 0.00 C ATOM 938 O ILE A 58 100.100 8.045 -4.666 1.00 0.00 O ATOM 939 CB ILE A 58 98.574 6.579 -2.038 1.00 0.00 C ATOM 940 CG1 ILE A 58 97.722 5.313 -2.006 1.00 0.00 C ATOM 941 CG2 ILE A 58 98.282 7.423 -0.792 1.00 0.00 C ATOM 942 CD1 ILE A 58 97.691 4.779 -0.577 1.00 0.00 C ATOM 0 H ILE A 58 98.713 6.013 -4.854 1.00 0.00 H new ATOM 0 HA ILE A 58 97.391 8.027 -3.106 1.00 0.00 H new ATOM 0 HB ILE A 58 99.629 6.305 -2.051 1.00 0.00 H new ATOM 0 HG12 ILE A 58 96.711 5.530 -2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 58 98.135 4.563 -2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 58 98.515 6.844 0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 58 98.895 8.324 -0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 58 97.228 7.702 -0.780 1.00 0.00 H new ATOM 0 HD11 ILE A 58 97.085 3.874 -0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 58 98.706 4.550 -0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 58 97.260 5.531 0.083 1.00 0.00 H new ATOM 954 N GLU A 59 99.794 9.156 -2.794 1.00 0.00 N ATOM 955 CA GLU A 59 100.971 10.036 -3.046 1.00 0.00 C ATOM 956 C GLU A 59 101.569 10.479 -1.709 1.00 0.00 C ATOM 957 O GLU A 59 100.861 10.717 -0.750 1.00 0.00 O ATOM 958 CB GLU A 59 100.532 11.264 -3.849 1.00 0.00 C ATOM 959 CG GLU A 59 99.920 12.304 -2.908 1.00 0.00 C ATOM 960 CD GLU A 59 99.014 13.244 -3.705 1.00 0.00 C ATOM 961 OE1 GLU A 59 97.884 13.441 -3.288 1.00 0.00 O ATOM 962 OE2 GLU A 59 99.463 13.751 -4.719 1.00 0.00 O ATOM 0 H GLU A 59 99.293 9.346 -1.926 1.00 0.00 H new ATOM 0 HA GLU A 59 101.722 9.487 -3.614 1.00 0.00 H new ATOM 0 HB2 GLU A 59 101.386 11.692 -4.373 1.00 0.00 H new ATOM 0 HB3 GLU A 59 99.805 10.974 -4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 59 99.348 11.808 -2.124 1.00 0.00 H new ATOM 0 HG3 GLU A 59 100.709 12.873 -2.416 1.00 0.00 H new ATOM 969 N CYS A 60 102.866 10.590 -1.638 1.00 0.00 N ATOM 970 CA CYS A 60 103.507 11.015 -0.362 1.00 0.00 C ATOM 971 C CYS A 60 104.767 11.830 -0.670 1.00 0.00 C ATOM 972 O CYS A 60 105.756 11.303 -1.140 1.00 0.00 O ATOM 973 CB CYS A 60 103.889 9.773 0.451 1.00 0.00 C ATOM 974 SG CYS A 60 102.704 9.541 1.801 1.00 0.00 S ATOM 0 H CYS A 60 103.510 10.405 -2.407 1.00 0.00 H new ATOM 0 HA CYS A 60 102.810 11.627 0.211 1.00 0.00 H new ATOM 0 HB2 CYS A 60 103.899 8.894 -0.193 1.00 0.00 H new ATOM 0 HB3 CYS A 60 104.896 9.885 0.853 1.00 0.00 H new ATOM 980 N VAL A 61 104.742 13.108 -0.402 1.00 0.00 N ATOM 981 CA VAL A 61 105.937 13.950 -0.669 1.00 0.00 C ATOM 982 C VAL A 61 106.566 14.357 0.657 1.00 0.00 C ATOM 983 O VAL A 61 105.878 14.644 1.617 1.00 0.00 O ATOM 984 CB VAL A 61 105.526 15.210 -1.430 1.00 0.00 C ATOM 985 CG1 VAL A 61 106.652 15.642 -2.368 1.00 0.00 C ATOM 986 CG2 VAL A 61 104.261 14.926 -2.243 1.00 0.00 C ATOM 0 H VAL A 61 103.942 13.604 -0.009 1.00 0.00 H new ATOM 0 HA VAL A 61 106.651 13.382 -1.266 1.00 0.00 H new ATOM 0 HB VAL A 61 105.329 16.011 -0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 61 106.352 16.541 -2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 61 107.550 15.851 -1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 61 106.858 14.843 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 61 103.968 15.825 -2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 61 104.457 14.122 -2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 61 103.456 14.629 -1.571 1.00 0.00 H new ATOM 996 N PHE A 62 107.863 14.391 0.725 1.00 0.00 N ATOM 997 CA PHE A 62 108.508 14.791 2.011 1.00 0.00 C ATOM 998 C PHE A 62 110.031 14.668 1.918 1.00 0.00 C ATOM 999 O PHE A 62 110.581 14.291 0.903 1.00 0.00 O ATOM 1000 CB PHE A 62 107.991 13.887 3.137 1.00 0.00 C ATOM 1001 CG PHE A 62 106.975 14.635 3.970 1.00 0.00 C ATOM 1002 CD1 PHE A 62 107.332 15.833 4.602 1.00 0.00 C ATOM 1003 CD2 PHE A 62 105.677 14.130 4.110 1.00 0.00 C ATOM 1004 CE1 PHE A 62 106.392 16.524 5.373 1.00 0.00 C ATOM 1005 CE2 PHE A 62 104.736 14.823 4.881 1.00 0.00 C ATOM 1006 CZ PHE A 62 105.093 16.020 5.513 1.00 0.00 C ATOM 0 H PHE A 62 108.500 14.164 -0.038 1.00 0.00 H new ATOM 0 HA PHE A 62 108.257 15.831 2.219 1.00 0.00 H new ATOM 0 HB2 PHE A 62 107.539 12.989 2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 62 108.821 13.562 3.765 1.00 0.00 H new ATOM 0 HD1 PHE A 62 108.333 16.223 4.494 1.00 0.00 H new ATOM 0 HD2 PHE A 62 105.401 13.206 3.623 1.00 0.00 H new ATOM 0 HE1 PHE A 62 106.668 17.447 5.861 1.00 0.00 H new ATOM 0 HE2 PHE A 62 103.734 14.434 4.988 1.00 0.00 H new ATOM 0 HZ PHE A 62 104.367 16.554 6.108 1.00 0.00 H new ATOM 1016 N GLU A 63 110.710 14.979 2.992 1.00 0.00 N ATOM 1017 CA GLU A 63 112.196 14.882 3.011 1.00 0.00 C ATOM 1018 C GLU A 63 112.604 13.649 3.814 1.00 0.00 C ATOM 1019 O GLU A 63 111.779 12.977 4.393 1.00 0.00 O ATOM 1020 CB GLU A 63 112.783 16.124 3.683 1.00 0.00 C ATOM 1021 CG GLU A 63 112.017 17.365 3.227 1.00 0.00 C ATOM 1022 CD GLU A 63 110.795 17.571 4.124 1.00 0.00 C ATOM 1023 OE1 GLU A 63 110.144 18.593 3.978 1.00 0.00 O ATOM 1024 OE2 GLU A 63 110.530 16.704 4.941 1.00 0.00 O ATOM 0 H GLU A 63 110.291 15.299 3.865 1.00 0.00 H new ATOM 0 HA GLU A 63 112.568 14.807 1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 63 112.723 16.026 4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 63 113.839 16.222 3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 63 112.664 18.241 3.270 1.00 0.00 H new ATOM 0 HG3 GLU A 63 111.704 17.251 2.189 1.00 0.00 H new ATOM 1031 N LEU A 64 113.868 13.345 3.861 1.00 0.00 N ATOM 1032 CA LEU A 64 114.308 12.159 4.641 1.00 0.00 C ATOM 1033 C LEU A 64 114.706 12.603 6.051 1.00 0.00 C ATOM 1034 O LEU A 64 115.606 13.397 6.232 1.00 0.00 O ATOM 1035 CB LEU A 64 115.501 11.495 3.945 1.00 0.00 C ATOM 1036 CG LEU A 64 116.732 12.402 4.040 1.00 0.00 C ATOM 1037 CD1 LEU A 64 117.581 12.000 5.253 1.00 0.00 C ATOM 1038 CD2 LEU A 64 117.567 12.257 2.766 1.00 0.00 C ATOM 0 H LEU A 64 114.613 13.864 3.395 1.00 0.00 H new ATOM 0 HA LEU A 64 113.492 11.439 4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 64 115.712 10.531 4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 64 115.261 11.301 2.900 1.00 0.00 H new ATOM 0 HG LEU A 64 116.410 13.437 4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 64 118.455 12.648 5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 64 116.988 12.101 6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.904 10.965 5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 64 118.444 12.901 2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 64 117.886 11.220 2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 64 116.967 12.546 1.903 1.00 0.00 H new ATOM 1050 N GLY A 65 114.040 12.094 7.054 1.00 0.00 N ATOM 1051 CA GLY A 65 114.379 12.484 8.454 1.00 0.00 C ATOM 1052 C GLY A 65 113.157 13.107 9.141 1.00 0.00 C ATOM 1053 O GLY A 65 112.954 12.941 10.328 1.00 0.00 O ATOM 0 H GLY A 65 113.276 11.425 6.964 1.00 0.00 H new ATOM 0 HA2 GLY A 65 114.713 11.609 9.012 1.00 0.00 H new ATOM 0 HA3 GLY A 65 115.205 13.195 8.451 1.00 0.00 H new ATOM 1057 N VAL A 66 112.345 13.829 8.413 1.00 0.00 N ATOM 1058 CA VAL A 66 111.147 14.461 9.040 1.00 0.00 C ATOM 1059 C VAL A 66 109.995 13.453 9.101 1.00 0.00 C ATOM 1060 O VAL A 66 109.486 13.023 8.087 1.00 0.00 O ATOM 1061 CB VAL A 66 110.719 15.673 8.211 1.00 0.00 C ATOM 1062 CG1 VAL A 66 109.807 16.570 9.050 1.00 0.00 C ATOM 1063 CG2 VAL A 66 111.959 16.463 7.788 1.00 0.00 C ATOM 0 H VAL A 66 112.459 14.008 7.415 1.00 0.00 H new ATOM 0 HA VAL A 66 111.398 14.778 10.052 1.00 0.00 H new ATOM 0 HB VAL A 66 110.181 15.335 7.325 1.00 0.00 H new ATOM 0 HG11 VAL A 66 109.502 17.434 8.459 1.00 0.00 H new ATOM 0 HG12 VAL A 66 108.924 16.008 9.354 1.00 0.00 H new ATOM 0 HG13 VAL A 66 110.344 16.908 9.936 1.00 0.00 H new ATOM 0 HG21 VAL A 66 111.656 17.327 7.197 1.00 0.00 H new ATOM 0 HG22 VAL A 66 112.496 16.800 8.675 1.00 0.00 H new ATOM 0 HG23 VAL A 66 112.610 15.825 7.190 1.00 0.00 H new ATOM 1073 N THR A 67 109.581 13.074 10.281 1.00 0.00 N ATOM 1074 CA THR A 67 108.462 12.093 10.407 1.00 0.00 C ATOM 1075 C THR A 67 107.242 12.586 9.642 1.00 0.00 C ATOM 1076 O THR A 67 106.976 13.768 9.545 1.00 0.00 O ATOM 1077 CB THR A 67 108.083 11.925 11.877 1.00 0.00 C ATOM 1078 OG1 THR A 67 109.252 12.007 12.681 1.00 0.00 O ATOM 1079 CG2 THR A 67 107.408 10.564 12.085 1.00 0.00 C ATOM 0 H THR A 67 109.970 13.402 11.165 1.00 0.00 H new ATOM 0 HA THR A 67 108.791 11.139 9.996 1.00 0.00 H new ATOM 0 HB THR A 67 107.390 12.716 12.164 1.00 0.00 H new ATOM 0 HG1 THR A 67 109.008 11.901 13.624 1.00 0.00 H new ATOM 0 HG21 THR A 67 107.139 10.448 13.135 1.00 0.00 H new ATOM 0 HG22 THR A 67 106.509 10.506 11.472 1.00 0.00 H new ATOM 0 HG23 THR A 67 108.096 9.769 11.797 1.00 0.00 H new ATOM 1087 N PHE A 68 106.492 11.667 9.122 1.00 0.00 N ATOM 1088 CA PHE A 68 105.258 12.022 8.375 1.00 0.00 C ATOM 1089 C PHE A 68 104.368 10.790 8.332 1.00 0.00 C ATOM 1090 O PHE A 68 104.637 9.806 8.988 1.00 0.00 O ATOM 1091 CB PHE A 68 105.590 12.472 6.950 1.00 0.00 C ATOM 1092 CG PHE A 68 106.876 11.835 6.491 1.00 0.00 C ATOM 1093 CD1 PHE A 68 106.976 10.441 6.383 1.00 0.00 C ATOM 1094 CD2 PHE A 68 107.968 12.642 6.166 1.00 0.00 C ATOM 1095 CE1 PHE A 68 108.176 9.860 5.945 1.00 0.00 C ATOM 1096 CE2 PHE A 68 109.162 12.062 5.734 1.00 0.00 C ATOM 1097 CZ PHE A 68 109.266 10.673 5.622 1.00 0.00 C ATOM 0 H PHE A 68 106.682 10.667 9.182 1.00 0.00 H new ATOM 0 HA PHE A 68 104.752 12.848 8.874 1.00 0.00 H new ATOM 0 HB2 PHE A 68 104.779 12.198 6.276 1.00 0.00 H new ATOM 0 HB3 PHE A 68 105.680 13.558 6.915 1.00 0.00 H new ATOM 0 HD1 PHE A 68 106.132 9.816 6.636 1.00 0.00 H new ATOM 0 HD2 PHE A 68 107.889 13.716 6.249 1.00 0.00 H new ATOM 0 HE1 PHE A 68 108.257 8.787 5.858 1.00 0.00 H new ATOM 0 HE2 PHE A 68 110.007 12.688 5.486 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.190 10.227 5.285 1.00 0.00 H new ATOM 1107 N ASN A 69 103.312 10.825 7.574 1.00 0.00 N ATOM 1108 CA ASN A 69 102.420 9.641 7.515 1.00 0.00 C ATOM 1109 C ASN A 69 102.158 9.252 6.061 1.00 0.00 C ATOM 1110 O ASN A 69 102.145 10.082 5.173 1.00 0.00 O ATOM 1111 CB ASN A 69 101.093 9.965 8.203 1.00 0.00 C ATOM 1112 CG ASN A 69 100.437 11.161 7.512 1.00 0.00 C ATOM 1113 OD1 ASN A 69 100.902 12.361 7.729 1.00 0.00 O flip ATOM 1114 ND2 ASN A 69 99.492 11.002 6.765 1.00 0.00 N flip ATOM 0 H ASN A 69 103.030 11.617 6.997 1.00 0.00 H new ATOM 0 HA ASN A 69 102.903 8.808 8.025 1.00 0.00 H new ATOM 0 HB2 ASN A 69 100.430 9.100 8.163 1.00 0.00 H new ATOM 0 HB3 ASN A 69 101.263 10.188 9.256 1.00 0.00 H new ATOM 0 HD21 ASN A 69 99.128 10.064 6.595 1.00 0.00 H new ATOM 0 HD22 ASN A 69 99.062 11.806 6.308 1.00 0.00 H new ATOM 1121 N CYS A 70 101.938 7.991 5.821 1.00 0.00 N ATOM 1122 CA CYS A 70 101.662 7.522 4.440 1.00 0.00 C ATOM 1123 C CYS A 70 100.812 6.259 4.533 1.00 0.00 C ATOM 1124 O CYS A 70 101.097 5.367 5.307 1.00 0.00 O ATOM 1125 CB CYS A 70 102.978 7.214 3.722 1.00 0.00 C ATOM 1126 SG CYS A 70 103.813 8.766 3.302 1.00 0.00 S ATOM 0 H CYS A 70 101.938 7.259 6.531 1.00 0.00 H new ATOM 0 HA CYS A 70 101.135 8.292 3.876 1.00 0.00 H new ATOM 0 HB2 CYS A 70 103.619 6.605 4.359 1.00 0.00 H new ATOM 0 HB3 CYS A 70 102.785 6.636 2.818 1.00 0.00 H new ATOM 1132 N ASN A 71 99.757 6.177 3.776 1.00 0.00 N ATOM 1133 CA ASN A 71 98.892 4.972 3.861 1.00 0.00 C ATOM 1134 C ASN A 71 99.328 3.930 2.834 1.00 0.00 C ATOM 1135 O ASN A 71 99.769 4.253 1.749 1.00 0.00 O ATOM 1136 CB ASN A 71 97.432 5.369 3.611 1.00 0.00 C ATOM 1137 CG ASN A 71 97.385 6.689 2.840 1.00 0.00 C ATOM 1138 OD1 ASN A 71 97.933 7.754 3.359 1.00 0.00 O flip ATOM 1139 ND2 ASN A 71 96.843 6.754 1.755 1.00 0.00 N flip ATOM 0 H ASN A 71 99.458 6.886 3.107 1.00 0.00 H new ATOM 0 HA ASN A 71 98.986 4.540 4.857 1.00 0.00 H new ATOM 0 HB2 ASN A 71 96.924 4.588 3.046 1.00 0.00 H new ATOM 0 HB3 ASN A 71 96.905 5.471 4.559 1.00 0.00 H new ATOM 0 HD21 ASN A 71 96.414 5.923 1.348 1.00 0.00 H new ATOM 0 HD22 ASN A 71 96.816 7.640 1.250 1.00 0.00 H new ATOM 1146 N LEU A 72 99.203 2.676 3.174 1.00 0.00 N ATOM 1147 CA LEU A 72 99.603 1.600 2.224 1.00 0.00 C ATOM 1148 C LEU A 72 98.379 1.151 1.422 1.00 0.00 C ATOM 1149 O LEU A 72 97.267 1.153 1.915 1.00 0.00 O ATOM 1150 CB LEU A 72 100.166 0.411 3.006 1.00 0.00 C ATOM 1151 CG LEU A 72 101.516 0.792 3.617 1.00 0.00 C ATOM 1152 CD1 LEU A 72 101.977 -0.317 4.565 1.00 0.00 C ATOM 1153 CD2 LEU A 72 102.553 0.974 2.504 1.00 0.00 C ATOM 0 H LEU A 72 98.841 2.350 4.070 1.00 0.00 H new ATOM 0 HA LEU A 72 100.366 1.979 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 72 99.470 0.117 3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 72 100.284 -0.449 2.346 1.00 0.00 H new ATOM 0 HG LEU A 72 101.411 1.726 4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 72 102.939 -0.047 5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 72 101.242 -0.445 5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 72 102.079 -1.250 4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 72 103.513 1.245 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 72 102.658 0.042 1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 72 102.226 1.764 1.828 1.00 0.00 H new ATOM 1165 N ALA A 73 98.579 0.766 0.190 1.00 0.00 N ATOM 1166 CA ALA A 73 97.436 0.319 -0.654 1.00 0.00 C ATOM 1167 C ALA A 73 96.489 -0.554 0.172 1.00 0.00 C ATOM 1168 O ALA A 73 95.287 -0.526 -0.010 1.00 0.00 O ATOM 1169 CB ALA A 73 97.964 -0.489 -1.841 1.00 0.00 C ATOM 0 H ALA A 73 99.490 0.742 -0.269 1.00 0.00 H new ATOM 0 HA ALA A 73 96.895 1.194 -1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 73 97.128 -0.816 -2.459 1.00 0.00 H new ATOM 0 HB2 ALA A 73 98.633 0.133 -2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 73 98.508 -1.360 -1.475 1.00 0.00 H new ATOM 1175 N ASP A 74 97.016 -1.329 1.079 1.00 0.00 N ATOM 1176 CA ASP A 74 96.140 -2.201 1.912 1.00 0.00 C ATOM 1177 C ASP A 74 95.194 -1.331 2.744 1.00 0.00 C ATOM 1178 O ASP A 74 94.541 -1.803 3.654 1.00 0.00 O ATOM 1179 CB ASP A 74 97.005 -3.053 2.844 1.00 0.00 C ATOM 1180 CG ASP A 74 96.185 -4.236 3.360 1.00 0.00 C ATOM 1181 OD1 ASP A 74 94.989 -4.072 3.535 1.00 0.00 O ATOM 1182 OD2 ASP A 74 96.767 -5.287 3.573 1.00 0.00 O ATOM 0 H ASP A 74 98.014 -1.397 1.280 1.00 0.00 H new ATOM 0 HA ASP A 74 95.555 -2.853 1.263 1.00 0.00 H new ATOM 0 HB2 ASP A 74 97.886 -3.412 2.313 1.00 0.00 H new ATOM 0 HB3 ASP A 74 97.360 -2.451 3.680 1.00 0.00 H new ATOM 1187 N GLY A 75 95.113 -0.065 2.439 1.00 0.00 N ATOM 1188 CA GLY A 75 94.208 0.832 3.212 1.00 0.00 C ATOM 1189 C GLY A 75 94.755 1.015 4.628 1.00 0.00 C ATOM 1190 O GLY A 75 94.017 1.251 5.564 1.00 0.00 O ATOM 0 H GLY A 75 95.634 0.387 1.688 1.00 0.00 H new ATOM 0 HA2 GLY A 75 94.126 1.799 2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 75 93.205 0.408 3.251 1.00 0.00 H new ATOM 1194 N THR A 76 96.046 0.907 4.794 1.00 0.00 N ATOM 1195 CA THR A 76 96.642 1.072 6.142 1.00 0.00 C ATOM 1196 C THR A 76 97.199 2.487 6.279 1.00 0.00 C ATOM 1197 O THR A 76 97.417 3.175 5.306 1.00 0.00 O ATOM 1198 CB THR A 76 97.772 0.067 6.334 1.00 0.00 C ATOM 1199 OG1 THR A 76 97.660 -0.965 5.365 1.00 0.00 O ATOM 1200 CG2 THR A 76 97.702 -0.536 7.739 1.00 0.00 C ATOM 0 H THR A 76 96.713 0.711 4.047 1.00 0.00 H new ATOM 0 HA THR A 76 95.875 0.902 6.897 1.00 0.00 H new ATOM 0 HB THR A 76 98.728 0.576 6.213 1.00 0.00 H new ATOM 0 HG1 THR A 76 98.388 -1.610 5.488 1.00 0.00 H new ATOM 0 HG21 THR A 76 98.513 -1.253 7.868 1.00 0.00 H new ATOM 0 HG22 THR A 76 97.798 0.257 8.481 1.00 0.00 H new ATOM 0 HG23 THR A 76 96.746 -1.042 7.870 1.00 0.00 H new ATOM 1208 N GLU A 77 97.430 2.918 7.485 1.00 0.00 N ATOM 1209 CA GLU A 77 97.978 4.284 7.708 1.00 0.00 C ATOM 1210 C GLU A 77 99.140 4.205 8.701 1.00 0.00 C ATOM 1211 O GLU A 77 98.973 3.779 9.825 1.00 0.00 O ATOM 1212 CB GLU A 77 96.882 5.187 8.273 1.00 0.00 C ATOM 1213 CG GLU A 77 97.359 6.639 8.248 1.00 0.00 C ATOM 1214 CD GLU A 77 96.192 7.569 8.586 1.00 0.00 C ATOM 1215 OE1 GLU A 77 95.242 7.098 9.190 1.00 0.00 O ATOM 1216 OE2 GLU A 77 96.268 8.735 8.237 1.00 0.00 O ATOM 0 H GLU A 77 97.261 2.378 8.334 1.00 0.00 H new ATOM 0 HA GLU A 77 98.333 4.696 6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 77 95.970 5.082 7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 77 96.640 4.889 9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 77 98.168 6.779 8.965 1.00 0.00 H new ATOM 0 HG3 GLU A 77 97.759 6.884 7.264 1.00 0.00 H new ATOM 1223 N LEU A 78 100.322 4.605 8.299 1.00 0.00 N ATOM 1224 CA LEU A 78 101.482 4.536 9.241 1.00 0.00 C ATOM 1225 C LEU A 78 102.292 5.833 9.183 1.00 0.00 C ATOM 1226 O LEU A 78 102.174 6.613 8.257 1.00 0.00 O ATOM 1227 CB LEU A 78 102.392 3.365 8.857 1.00 0.00 C ATOM 1228 CG LEU A 78 101.557 2.223 8.274 1.00 0.00 C ATOM 1229 CD1 LEU A 78 101.416 2.413 6.763 1.00 0.00 C ATOM 1230 CD2 LEU A 78 102.251 0.888 8.556 1.00 0.00 C ATOM 0 H LEU A 78 100.532 4.972 7.371 1.00 0.00 H new ATOM 0 HA LEU A 78 101.099 4.394 10.252 1.00 0.00 H new ATOM 0 HB2 LEU A 78 103.133 3.693 8.128 1.00 0.00 H new ATOM 0 HB3 LEU A 78 102.939 3.016 9.733 1.00 0.00 H new ATOM 0 HG LEU A 78 100.569 2.225 8.735 1.00 0.00 H new ATOM 0 HD11 LEU A 78 100.821 1.599 6.348 1.00 0.00 H new ATOM 0 HD12 LEU A 78 100.922 3.363 6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 78 102.404 2.412 6.302 1.00 0.00 H new ATOM 0 HD21 LEU A 78 101.657 0.074 8.141 1.00 0.00 H new ATOM 0 HD22 LEU A 78 103.239 0.887 8.096 1.00 0.00 H new ATOM 0 HD23 LEU A 78 102.352 0.751 9.633 1.00 0.00 H new ATOM 1242 N ARG A 79 103.118 6.067 10.170 1.00 0.00 N ATOM 1243 CA ARG A 79 103.944 7.309 10.179 1.00 0.00 C ATOM 1244 C ARG A 79 105.337 7.003 10.729 1.00 0.00 C ATOM 1245 O ARG A 79 105.504 6.163 11.593 1.00 0.00 O ATOM 1246 CB ARG A 79 103.269 8.370 11.052 1.00 0.00 C ATOM 1247 CG ARG A 79 103.188 7.873 12.497 1.00 0.00 C ATOM 1248 CD ARG A 79 102.379 8.865 13.340 1.00 0.00 C ATOM 1249 NE ARG A 79 103.305 9.678 14.177 1.00 0.00 N ATOM 1250 CZ ARG A 79 102.842 10.358 15.191 1.00 0.00 C ATOM 1251 NH1 ARG A 79 103.652 11.070 15.924 1.00 0.00 N ATOM 1252 NH2 ARG A 79 101.567 10.323 15.471 1.00 0.00 N ATOM 0 H ARG A 79 103.256 5.450 10.971 1.00 0.00 H new ATOM 0 HA ARG A 79 104.036 7.684 9.160 1.00 0.00 H new ATOM 0 HB2 ARG A 79 103.832 9.302 11.009 1.00 0.00 H new ATOM 0 HB3 ARG A 79 102.269 8.584 10.674 1.00 0.00 H new ATOM 0 HG2 ARG A 79 102.720 6.889 12.528 1.00 0.00 H new ATOM 0 HG3 ARG A 79 104.190 7.762 12.910 1.00 0.00 H new ATOM 0 HD2 ARG A 79 101.792 9.516 12.691 1.00 0.00 H new ATOM 0 HD3 ARG A 79 101.674 8.328 13.975 1.00 0.00 H new ATOM 0 HE ARG A 79 104.301 9.703 13.958 1.00 0.00 H new ATOM 0 HH11 ARG A 79 104.648 11.096 15.705 1.00 0.00 H new ATOM 0 HH12 ARG A 79 103.290 11.601 16.716 1.00 0.00 H new ATOM 0 HH21 ARG A 79 100.934 9.765 14.898 1.00 0.00 H new ATOM 0 HH22 ARG A 79 101.204 10.854 16.263 1.00 0.00 H new ATOM 1266 N GLY A 80 106.343 7.677 10.230 1.00 0.00 N ATOM 1267 CA GLY A 80 107.717 7.435 10.706 1.00 0.00 C ATOM 1268 C GLY A 80 108.657 8.182 9.774 1.00 0.00 C ATOM 1269 O GLY A 80 108.574 9.383 9.639 1.00 0.00 O ATOM 0 H GLY A 80 106.258 8.390 9.506 1.00 0.00 H new ATOM 0 HA2 GLY A 80 107.835 7.784 11.732 1.00 0.00 H new ATOM 0 HA3 GLY A 80 107.942 6.368 10.704 1.00 0.00 H new ATOM 1273 N THR A 81 109.525 7.487 9.104 1.00 0.00 N ATOM 1274 CA THR A 81 110.452 8.184 8.163 1.00 0.00 C ATOM 1275 C THR A 81 111.506 7.218 7.631 1.00 0.00 C ATOM 1276 O THR A 81 111.793 6.197 8.224 1.00 0.00 O ATOM 1277 CB THR A 81 111.169 9.332 8.888 1.00 0.00 C ATOM 1278 OG1 THR A 81 110.722 9.409 10.234 1.00 0.00 O ATOM 1279 CG2 THR A 81 110.883 10.651 8.174 1.00 0.00 C ATOM 0 H THR A 81 109.637 6.475 9.162 1.00 0.00 H new ATOM 0 HA THR A 81 109.861 8.572 7.334 1.00 0.00 H new ATOM 0 HB THR A 81 112.242 9.143 8.879 1.00 0.00 H new ATOM 0 HG1 THR A 81 109.903 9.946 10.277 1.00 0.00 H new ATOM 0 HG21 THR A 81 111.394 11.463 8.692 1.00 0.00 H new ATOM 0 HG22 THR A 81 111.242 10.594 7.146 1.00 0.00 H new ATOM 0 HG23 THR A 81 109.809 10.839 8.174 1.00 0.00 H new ATOM 1287 N TRP A 82 112.105 7.557 6.524 1.00 0.00 N ATOM 1288 CA TRP A 82 113.169 6.684 5.954 1.00 0.00 C ATOM 1289 C TRP A 82 114.532 7.293 6.272 1.00 0.00 C ATOM 1290 O TRP A 82 114.695 8.497 6.302 1.00 0.00 O ATOM 1291 CB TRP A 82 113.011 6.575 4.437 1.00 0.00 C ATOM 1292 CG TRP A 82 111.570 6.422 4.091 1.00 0.00 C ATOM 1293 CD1 TRP A 82 110.639 7.389 4.218 1.00 0.00 C ATOM 1294 CD2 TRP A 82 110.882 5.255 3.561 1.00 0.00 C ATOM 1295 NE1 TRP A 82 109.419 6.896 3.804 1.00 0.00 N ATOM 1296 CE2 TRP A 82 109.516 5.580 3.387 1.00 0.00 C ATOM 1297 CE3 TRP A 82 111.305 3.958 3.218 1.00 0.00 C ATOM 1298 CZ2 TRP A 82 108.601 4.649 2.889 1.00 0.00 C ATOM 1299 CZ3 TRP A 82 110.391 3.020 2.718 1.00 0.00 C ATOM 1300 CH2 TRP A 82 109.040 3.365 2.554 1.00 0.00 C ATOM 0 H TRP A 82 111.904 8.402 5.989 1.00 0.00 H new ATOM 0 HA TRP A 82 113.087 5.689 6.391 1.00 0.00 H new ATOM 0 HB2 TRP A 82 113.418 7.464 3.955 1.00 0.00 H new ATOM 0 HB3 TRP A 82 113.577 5.722 4.063 1.00 0.00 H new ATOM 0 HD1 TRP A 82 110.819 8.389 4.585 1.00 0.00 H new ATOM 0 HE1 TRP A 82 108.553 7.435 3.805 1.00 0.00 H new ATOM 0 HE3 TRP A 82 112.342 3.683 3.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 107.563 4.919 2.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 110.728 2.027 2.458 1.00 0.00 H new ATOM 0 HH2 TRP A 82 108.340 2.638 2.169 1.00 0.00 H new ATOM 1311 N SER A 83 115.515 6.473 6.511 1.00 0.00 N ATOM 1312 CA SER A 83 116.868 7.003 6.829 1.00 0.00 C ATOM 1313 C SER A 83 117.903 6.117 6.145 1.00 0.00 C ATOM 1314 O SER A 83 117.632 4.985 5.823 1.00 0.00 O ATOM 1315 CB SER A 83 117.085 6.982 8.344 1.00 0.00 C ATOM 1316 OG SER A 83 116.789 8.266 8.878 1.00 0.00 O ATOM 0 H SER A 83 115.439 5.456 6.500 1.00 0.00 H new ATOM 0 HA SER A 83 116.964 8.030 6.476 1.00 0.00 H new ATOM 0 HB2 SER A 83 116.446 6.228 8.804 1.00 0.00 H new ATOM 0 HB3 SER A 83 118.115 6.709 8.572 1.00 0.00 H new ATOM 0 HG SER A 83 116.925 8.256 9.848 1.00 0.00 H new ATOM 1322 N LEU A 84 119.080 6.606 5.902 1.00 0.00 N ATOM 1323 CA LEU A 84 120.083 5.749 5.242 1.00 0.00 C ATOM 1324 C LEU A 84 120.991 5.155 6.323 1.00 0.00 C ATOM 1325 O LEU A 84 121.602 5.865 7.098 1.00 0.00 O ATOM 1326 CB LEU A 84 120.884 6.594 4.241 1.00 0.00 C ATOM 1327 CG LEU A 84 122.364 6.225 4.308 1.00 0.00 C ATOM 1328 CD1 LEU A 84 122.577 4.822 3.733 1.00 0.00 C ATOM 1329 CD2 LEU A 84 123.177 7.238 3.498 1.00 0.00 C ATOM 0 H LEU A 84 119.386 7.552 6.130 1.00 0.00 H new ATOM 0 HA LEU A 84 119.608 4.936 4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 84 120.506 6.431 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 84 120.755 7.653 4.463 1.00 0.00 H new ATOM 0 HG LEU A 84 122.692 6.239 5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.635 4.565 3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 84 122.000 4.100 4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 84 122.248 4.801 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 84 124.234 6.977 3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 84 122.845 7.224 2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 84 123.032 8.236 3.912 1.00 0.00 H new ATOM 1341 N GLU A 85 121.078 3.859 6.379 1.00 0.00 N ATOM 1342 CA GLU A 85 121.940 3.200 7.394 1.00 0.00 C ATOM 1343 C GLU A 85 122.987 2.368 6.662 1.00 0.00 C ATOM 1344 O GLU A 85 122.672 1.386 6.020 1.00 0.00 O ATOM 1345 CB GLU A 85 121.089 2.294 8.286 1.00 0.00 C ATOM 1346 CG GLU A 85 120.642 3.072 9.526 1.00 0.00 C ATOM 1347 CD GLU A 85 119.837 2.151 10.445 1.00 0.00 C ATOM 1348 OE1 GLU A 85 119.627 2.524 11.588 1.00 0.00 O ATOM 1349 OE2 GLU A 85 119.444 1.090 9.989 1.00 0.00 O ATOM 0 H GLU A 85 120.583 3.220 5.757 1.00 0.00 H new ATOM 0 HA GLU A 85 122.425 3.949 8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 85 120.219 1.937 7.735 1.00 0.00 H new ATOM 0 HB3 GLU A 85 121.662 1.415 8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 85 121.511 3.463 10.056 1.00 0.00 H new ATOM 0 HG3 GLU A 85 120.036 3.929 9.232 1.00 0.00 H new ATOM 1356 N GLY A 86 124.226 2.758 6.730 1.00 0.00 N ATOM 1357 CA GLY A 86 125.274 1.989 6.010 1.00 0.00 C ATOM 1358 C GLY A 86 125.001 2.091 4.510 1.00 0.00 C ATOM 1359 O GLY A 86 125.243 3.112 3.897 1.00 0.00 O ATOM 0 H GLY A 86 124.557 3.571 7.250 1.00 0.00 H new ATOM 0 HA2 GLY A 86 126.263 2.384 6.243 1.00 0.00 H new ATOM 0 HA3 GLY A 86 125.265 0.946 6.327 1.00 0.00 H new ATOM 1363 N ASN A 87 124.496 1.046 3.912 1.00 0.00 N ATOM 1364 CA ASN A 87 124.204 1.093 2.451 1.00 0.00 C ATOM 1365 C ASN A 87 122.740 0.721 2.190 1.00 0.00 C ATOM 1366 O ASN A 87 122.424 0.114 1.186 1.00 0.00 O ATOM 1367 CB ASN A 87 125.118 0.111 1.717 1.00 0.00 C ATOM 1368 CG ASN A 87 124.817 0.155 0.217 1.00 0.00 C ATOM 1369 OD1 ASN A 87 124.496 1.292 -0.338 1.00 0.00 O flip ATOM 1370 ND2 ASN A 87 124.874 -0.855 -0.456 1.00 0.00 N flip ATOM 0 H ASN A 87 124.273 0.163 4.371 1.00 0.00 H new ATOM 0 HA ASN A 87 124.382 2.105 2.087 1.00 0.00 H new ATOM 0 HB2 ASN A 87 126.162 0.366 1.897 1.00 0.00 H new ATOM 0 HB3 ASN A 87 124.966 -0.898 2.099 1.00 0.00 H new ATOM 0 HD21 ASN A 87 125.125 -1.743 -0.022 1.00 0.00 H new ATOM 0 HD22 ASN A 87 124.671 -0.814 -1.455 1.00 0.00 H new ATOM 1377 N LYS A 88 121.842 1.061 3.077 1.00 0.00 N ATOM 1378 CA LYS A 88 120.416 0.699 2.849 1.00 0.00 C ATOM 1379 C LYS A 88 119.502 1.846 3.291 1.00 0.00 C ATOM 1380 O LYS A 88 119.798 2.567 4.223 1.00 0.00 O ATOM 1381 CB LYS A 88 120.077 -0.564 3.650 1.00 0.00 C ATOM 1382 CG LYS A 88 121.352 -1.132 4.281 1.00 0.00 C ATOM 1383 CD LYS A 88 120.980 -2.196 5.310 1.00 0.00 C ATOM 1384 CE LYS A 88 122.244 -2.684 6.017 1.00 0.00 C ATOM 1385 NZ LYS A 88 121.982 -4.009 6.647 1.00 0.00 N ATOM 0 H LYS A 88 122.033 1.569 3.941 1.00 0.00 H new ATOM 0 HA LYS A 88 120.262 0.513 1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 88 119.349 -0.330 4.426 1.00 0.00 H new ATOM 0 HB3 LYS A 88 119.620 -1.308 2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 88 121.991 -1.564 3.510 1.00 0.00 H new ATOM 0 HG3 LYS A 88 121.922 -0.334 4.757 1.00 0.00 H new ATOM 0 HD2 LYS A 88 120.279 -1.785 6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 88 120.479 -3.031 4.821 1.00 0.00 H new ATOM 0 HE2 LYS A 88 123.064 -2.765 5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 88 122.551 -1.963 6.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 122.842 -4.341 7.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 121.211 -3.918 7.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 121.709 -4.694 5.914 1.00 0.00 H new ATOM 1399 N LEU A 89 118.383 2.004 2.635 1.00 0.00 N ATOM 1400 CA LEU A 89 117.435 3.087 3.020 1.00 0.00 C ATOM 1401 C LEU A 89 116.386 2.495 3.958 1.00 0.00 C ATOM 1402 O LEU A 89 115.499 1.780 3.541 1.00 0.00 O ATOM 1403 CB LEU A 89 116.751 3.642 1.768 1.00 0.00 C ATOM 1404 CG LEU A 89 117.779 4.382 0.908 1.00 0.00 C ATOM 1405 CD1 LEU A 89 117.343 4.338 -0.559 1.00 0.00 C ATOM 1406 CD2 LEU A 89 117.874 5.838 1.366 1.00 0.00 C ATOM 0 H LEU A 89 118.085 1.428 1.848 1.00 0.00 H new ATOM 0 HA LEU A 89 117.970 3.896 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 89 116.301 2.830 1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 89 115.944 4.318 2.051 1.00 0.00 H new ATOM 0 HG LEU A 89 118.752 3.903 1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 89 118.074 4.865 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 89 117.274 3.301 -0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 89 116.370 4.817 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 89 118.606 6.365 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 89 116.901 6.317 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 89 118.183 5.871 2.411 1.00 0.00 H new ATOM 1418 N ILE A 90 116.487 2.770 5.227 1.00 0.00 N ATOM 1419 CA ILE A 90 115.506 2.201 6.188 1.00 0.00 C ATOM 1420 C ILE A 90 114.168 2.926 6.080 1.00 0.00 C ATOM 1421 O ILE A 90 114.062 3.996 5.517 1.00 0.00 O ATOM 1422 CB ILE A 90 116.033 2.312 7.611 1.00 0.00 C ATOM 1423 CG1 ILE A 90 116.892 3.556 7.750 1.00 0.00 C ATOM 1424 CG2 ILE A 90 116.875 1.079 7.943 1.00 0.00 C ATOM 1425 CD1 ILE A 90 117.155 3.795 9.226 1.00 0.00 C ATOM 0 H ILE A 90 117.206 3.364 5.640 1.00 0.00 H new ATOM 0 HA ILE A 90 115.360 1.149 5.942 1.00 0.00 H new ATOM 0 HB ILE A 90 115.189 2.377 8.298 1.00 0.00 H new ATOM 0 HG12 ILE A 90 117.832 3.430 7.213 1.00 0.00 H new ATOM 0 HG13 ILE A 90 116.387 4.416 7.311 1.00 0.00 H new ATOM 0 HG21 ILE A 90 117.252 1.160 8.963 1.00 0.00 H new ATOM 0 HG22 ILE A 90 116.260 0.184 7.853 1.00 0.00 H new ATOM 0 HG23 ILE A 90 117.714 1.014 7.250 1.00 0.00 H new ATOM 0 HD11 ILE A 90 117.772 4.686 9.346 1.00 0.00 H new ATOM 0 HD12 ILE A 90 116.208 3.937 9.746 1.00 0.00 H new ATOM 0 HD13 ILE A 90 117.675 2.934 9.647 1.00 0.00 H new ATOM 1437 N GLY A 91 113.150 2.327 6.625 1.00 0.00 N ATOM 1438 CA GLY A 91 111.789 2.929 6.591 1.00 0.00 C ATOM 1439 C GLY A 91 111.062 2.540 7.877 1.00 0.00 C ATOM 1440 O GLY A 91 110.476 1.481 7.978 1.00 0.00 O ATOM 0 H GLY A 91 113.204 1.427 7.102 1.00 0.00 H new ATOM 0 HA2 GLY A 91 111.855 4.014 6.505 1.00 0.00 H new ATOM 0 HA3 GLY A 91 111.238 2.573 5.720 1.00 0.00 H new ATOM 1444 N LYS A 92 111.103 3.383 8.862 1.00 0.00 N ATOM 1445 CA LYS A 92 110.426 3.058 10.145 1.00 0.00 C ATOM 1446 C LYS A 92 108.982 3.542 10.085 1.00 0.00 C ATOM 1447 O LYS A 92 108.714 4.714 10.216 1.00 0.00 O ATOM 1448 CB LYS A 92 111.153 3.752 11.299 1.00 0.00 C ATOM 1449 CG LYS A 92 112.279 2.850 11.807 1.00 0.00 C ATOM 1450 CD LYS A 92 113.072 3.582 12.892 1.00 0.00 C ATOM 1451 CE LYS A 92 114.117 4.489 12.240 1.00 0.00 C ATOM 1452 NZ LYS A 92 115.016 5.046 13.292 1.00 0.00 N ATOM 0 H LYS A 92 111.577 4.286 8.837 1.00 0.00 H new ATOM 0 HA LYS A 92 110.444 1.980 10.307 1.00 0.00 H new ATOM 0 HB2 LYS A 92 111.560 4.707 10.965 1.00 0.00 H new ATOM 0 HB3 LYS A 92 110.453 3.968 12.106 1.00 0.00 H new ATOM 0 HG2 LYS A 92 111.865 1.924 12.207 1.00 0.00 H new ATOM 0 HG3 LYS A 92 112.938 2.575 10.984 1.00 0.00 H new ATOM 0 HD2 LYS A 92 112.399 4.174 13.512 1.00 0.00 H new ATOM 0 HD3 LYS A 92 113.560 2.862 13.549 1.00 0.00 H new ATOM 0 HE2 LYS A 92 114.699 3.926 11.510 1.00 0.00 H new ATOM 0 HE3 LYS A 92 113.626 5.298 11.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 115.727 5.663 12.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 114.455 5.597 13.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 115.494 4.267 13.788 1.00 0.00 H new ATOM 1466 N PHE A 93 108.056 2.647 9.885 1.00 0.00 N ATOM 1467 CA PHE A 93 106.624 3.046 9.808 1.00 0.00 C ATOM 1468 C PHE A 93 105.843 2.371 10.924 1.00 0.00 C ATOM 1469 O PHE A 93 106.019 1.205 11.209 1.00 0.00 O ATOM 1470 CB PHE A 93 106.045 2.614 8.455 1.00 0.00 C ATOM 1471 CG PHE A 93 106.307 3.662 7.392 1.00 0.00 C ATOM 1472 CD1 PHE A 93 106.938 4.870 7.719 1.00 0.00 C ATOM 1473 CD2 PHE A 93 105.912 3.419 6.072 1.00 0.00 C ATOM 1474 CE1 PHE A 93 107.173 5.829 6.727 1.00 0.00 C ATOM 1475 CE2 PHE A 93 106.147 4.378 5.080 1.00 0.00 C ATOM 1476 CZ PHE A 93 106.777 5.584 5.407 1.00 0.00 C ATOM 0 H PHE A 93 108.231 1.649 9.771 1.00 0.00 H new ATOM 0 HA PHE A 93 106.547 4.128 9.913 1.00 0.00 H new ATOM 0 HB2 PHE A 93 106.488 1.665 8.152 1.00 0.00 H new ATOM 0 HB3 PHE A 93 104.972 2.449 8.551 1.00 0.00 H new ATOM 0 HD1 PHE A 93 107.243 5.061 8.737 1.00 0.00 H new ATOM 0 HD2 PHE A 93 105.425 2.489 5.818 1.00 0.00 H new ATOM 0 HE1 PHE A 93 107.660 6.759 6.980 1.00 0.00 H new ATOM 0 HE2 PHE A 93 105.842 4.187 4.062 1.00 0.00 H new ATOM 0 HZ PHE A 93 106.957 6.325 4.642 1.00 0.00 H new ATOM 1486 N LYS A 94 104.972 3.104 11.551 1.00 0.00 N ATOM 1487 CA LYS A 94 104.155 2.518 12.646 1.00 0.00 C ATOM 1488 C LYS A 94 102.674 2.736 12.339 1.00 0.00 C ATOM 1489 O LYS A 94 102.224 3.850 12.153 1.00 0.00 O ATOM 1490 CB LYS A 94 104.518 3.180 13.978 1.00 0.00 C ATOM 1491 CG LYS A 94 103.779 4.512 14.116 1.00 0.00 C ATOM 1492 CD LYS A 94 104.387 5.312 15.270 1.00 0.00 C ATOM 1493 CE LYS A 94 103.333 6.255 15.850 1.00 0.00 C ATOM 1494 NZ LYS A 94 104.008 7.428 16.477 1.00 0.00 N ATOM 0 H LYS A 94 104.789 4.088 11.352 1.00 0.00 H new ATOM 0 HA LYS A 94 104.356 1.449 12.720 1.00 0.00 H new ATOM 0 HB2 LYS A 94 104.255 2.521 14.805 1.00 0.00 H new ATOM 0 HB3 LYS A 94 105.594 3.344 14.031 1.00 0.00 H new ATOM 0 HG2 LYS A 94 103.852 5.079 13.188 1.00 0.00 H new ATOM 0 HG3 LYS A 94 102.719 4.335 14.300 1.00 0.00 H new ATOM 0 HD2 LYS A 94 104.750 4.635 16.044 1.00 0.00 H new ATOM 0 HD3 LYS A 94 105.246 5.883 14.917 1.00 0.00 H new ATOM 0 HE2 LYS A 94 102.656 6.589 15.064 1.00 0.00 H new ATOM 0 HE3 LYS A 94 102.728 5.731 16.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 103.292 8.070 16.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 104.637 7.101 17.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 104.567 7.932 15.759 1.00 0.00 H new ATOM 1508 N ARG A 95 101.913 1.678 12.279 1.00 0.00 N ATOM 1509 CA ARG A 95 100.461 1.818 11.980 1.00 0.00 C ATOM 1510 C ARG A 95 99.851 2.853 12.923 1.00 0.00 C ATOM 1511 O ARG A 95 99.849 2.688 14.123 1.00 0.00 O ATOM 1512 CB ARG A 95 99.764 0.466 12.177 1.00 0.00 C ATOM 1513 CG ARG A 95 99.536 -0.198 10.816 1.00 0.00 C ATOM 1514 CD ARG A 95 99.289 -1.694 11.011 1.00 0.00 C ATOM 1515 NE ARG A 95 98.117 -1.893 11.910 1.00 0.00 N ATOM 1516 CZ ARG A 95 96.909 -1.880 11.417 1.00 0.00 C ATOM 1517 NH1 ARG A 95 95.883 -2.054 12.204 1.00 0.00 N ATOM 1518 NH2 ARG A 95 96.726 -1.692 10.139 1.00 0.00 N ATOM 0 H ARG A 95 102.235 0.721 12.424 1.00 0.00 H new ATOM 0 HA ARG A 95 100.329 2.143 10.948 1.00 0.00 H new ATOM 0 HB2 ARG A 95 100.373 -0.179 12.810 1.00 0.00 H new ATOM 0 HB3 ARG A 95 98.812 0.608 12.688 1.00 0.00 H new ATOM 0 HG2 ARG A 95 98.683 0.260 10.315 1.00 0.00 H new ATOM 0 HG3 ARG A 95 100.403 -0.043 10.174 1.00 0.00 H new ATOM 0 HD2 ARG A 95 99.107 -2.172 10.048 1.00 0.00 H new ATOM 0 HD3 ARG A 95 100.173 -2.166 11.439 1.00 0.00 H new ATOM 0 HE ARG A 95 98.259 -2.039 12.909 1.00 0.00 H new ATOM 0 HH11 ARG A 95 96.026 -2.200 13.203 1.00 0.00 H new ATOM 0 HH12 ARG A 95 94.938 -2.044 11.820 1.00 0.00 H new ATOM 0 HH21 ARG A 95 97.528 -1.555 9.524 1.00 0.00 H new ATOM 0 HH22 ARG A 95 95.781 -1.682 9.755 1.00 0.00 H new ATOM 1532 N THR A 96 99.338 3.923 12.391 1.00 0.00 N ATOM 1533 CA THR A 96 98.738 4.963 13.269 1.00 0.00 C ATOM 1534 C THR A 96 97.448 4.434 13.862 1.00 0.00 C ATOM 1535 O THR A 96 96.864 5.002 14.764 1.00 0.00 O ATOM 1536 CB THR A 96 98.450 6.212 12.443 1.00 0.00 C ATOM 1537 OG1 THR A 96 98.467 5.876 11.062 1.00 0.00 O ATOM 1538 CG2 THR A 96 99.515 7.269 12.723 1.00 0.00 C ATOM 0 H THR A 96 99.307 4.123 11.391 1.00 0.00 H new ATOM 0 HA THR A 96 99.430 5.212 14.074 1.00 0.00 H new ATOM 0 HB THR A 96 97.471 6.608 12.712 1.00 0.00 H new ATOM 0 HG1 THR A 96 99.328 6.135 10.673 1.00 0.00 H new ATOM 0 HG21 THR A 96 99.307 8.161 12.132 1.00 0.00 H new ATOM 0 HG22 THR A 96 99.503 7.525 13.782 1.00 0.00 H new ATOM 0 HG23 THR A 96 100.496 6.877 12.455 1.00 0.00 H new ATOM 1546 N ASP A 97 97.020 3.347 13.346 1.00 0.00 N ATOM 1547 CA ASP A 97 95.765 2.712 13.830 1.00 0.00 C ATOM 1548 C ASP A 97 96.055 1.909 15.098 1.00 0.00 C ATOM 1549 O ASP A 97 95.358 2.017 16.087 1.00 0.00 O ATOM 1550 CB ASP A 97 95.213 1.780 12.750 1.00 0.00 C ATOM 1551 CG ASP A 97 94.614 2.613 11.615 1.00 0.00 C ATOM 1552 OD1 ASP A 97 95.376 3.259 10.914 1.00 0.00 O ATOM 1553 OD2 ASP A 97 93.403 2.590 11.465 1.00 0.00 O ATOM 0 H ASP A 97 97.487 2.847 12.590 1.00 0.00 H new ATOM 0 HA ASP A 97 95.030 3.486 14.051 1.00 0.00 H new ATOM 0 HB2 ASP A 97 96.008 1.140 12.366 1.00 0.00 H new ATOM 0 HB3 ASP A 97 94.453 1.124 13.174 1.00 0.00 H new ATOM 1558 N ASN A 98 97.079 1.100 15.076 1.00 0.00 N ATOM 1559 CA ASN A 98 97.415 0.286 16.275 1.00 0.00 C ATOM 1560 C ASN A 98 98.914 0.392 16.575 1.00 0.00 C ATOM 1561 O ASN A 98 99.436 -0.314 17.416 1.00 0.00 O ATOM 1562 CB ASN A 98 97.052 -1.178 16.015 1.00 0.00 C ATOM 1563 CG ASN A 98 95.603 -1.267 15.535 1.00 0.00 C ATOM 1564 OD1 ASN A 98 95.338 -1.216 14.350 1.00 0.00 O ATOM 1565 ND2 ASN A 98 94.644 -1.397 16.411 1.00 0.00 N ATOM 0 H ASN A 98 97.698 0.969 14.276 1.00 0.00 H new ATOM 0 HA ASN A 98 96.851 0.659 17.130 1.00 0.00 H new ATOM 0 HB2 ASN A 98 97.721 -1.602 15.266 1.00 0.00 H new ATOM 0 HB3 ASN A 98 97.181 -1.763 16.926 1.00 0.00 H new ATOM 0 HD21 ASN A 98 93.674 -1.456 16.101 1.00 0.00 H new ATOM 0 HD22 ASN A 98 94.864 -1.440 17.406 1.00 0.00 H new ATOM 1572 N GLY A 99 99.613 1.263 15.900 1.00 0.00 N ATOM 1573 CA GLY A 99 101.075 1.400 16.157 1.00 0.00 C ATOM 1574 C GLY A 99 101.708 0.012 16.236 1.00 0.00 C ATOM 1575 O GLY A 99 102.517 -0.263 17.100 1.00 0.00 O ATOM 0 H GLY A 99 99.237 1.884 15.184 1.00 0.00 H new ATOM 0 HA2 GLY A 99 101.543 1.980 15.362 1.00 0.00 H new ATOM 0 HA3 GLY A 99 101.243 1.942 17.088 1.00 0.00 H new ATOM 1579 N ASN A 100 101.347 -0.868 15.343 1.00 0.00 N ATOM 1580 CA ASN A 100 101.931 -2.241 15.377 1.00 0.00 C ATOM 1581 C ASN A 100 103.385 -2.188 14.919 1.00 0.00 C ATOM 1582 O ASN A 100 104.014 -3.198 14.681 1.00 0.00 O ATOM 1583 CB ASN A 100 101.131 -3.168 14.461 1.00 0.00 C ATOM 1584 CG ASN A 100 99.918 -3.712 15.217 1.00 0.00 C ATOM 1585 OD1 ASN A 100 99.973 -3.909 16.415 1.00 0.00 O ATOM 1586 ND2 ASN A 100 98.817 -3.965 14.564 1.00 0.00 N ATOM 0 H ASN A 100 100.676 -0.698 14.594 1.00 0.00 H new ATOM 0 HA ASN A 100 101.888 -2.626 16.396 1.00 0.00 H new ATOM 0 HB2 ASN A 100 100.806 -2.627 13.573 1.00 0.00 H new ATOM 0 HB3 ASN A 100 101.759 -3.991 14.121 1.00 0.00 H new ATOM 0 HD21 ASN A 100 98.002 -4.328 15.059 1.00 0.00 H new ATOM 0 HD22 ASN A 100 98.771 -3.800 13.559 1.00 0.00 H new ATOM 1593 N GLU A 101 103.916 -1.009 14.823 1.00 0.00 N ATOM 1594 CA GLU A 101 105.340 -0.834 14.406 1.00 0.00 C ATOM 1595 C GLU A 101 105.661 -1.676 13.163 1.00 0.00 C ATOM 1596 O GLU A 101 105.366 -2.852 13.095 1.00 0.00 O ATOM 1597 CB GLU A 101 106.256 -1.260 15.558 1.00 0.00 C ATOM 1598 CG GLU A 101 106.692 -0.025 16.350 1.00 0.00 C ATOM 1599 CD GLU A 101 107.044 -0.434 17.782 1.00 0.00 C ATOM 1600 OE1 GLU A 101 106.146 -0.465 18.607 1.00 0.00 O ATOM 1601 OE2 GLU A 101 108.207 -0.709 18.029 1.00 0.00 O ATOM 0 H GLU A 101 103.420 -0.139 15.018 1.00 0.00 H new ATOM 0 HA GLU A 101 105.503 0.215 14.160 1.00 0.00 H new ATOM 0 HB2 GLU A 101 105.734 -1.958 16.212 1.00 0.00 H new ATOM 0 HB3 GLU A 101 107.130 -1.781 15.168 1.00 0.00 H new ATOM 0 HG2 GLU A 101 107.553 0.441 15.872 1.00 0.00 H new ATOM 0 HG3 GLU A 101 105.892 0.716 16.358 1.00 0.00 H new ATOM 1608 N LEU A 102 106.294 -1.079 12.188 1.00 0.00 N ATOM 1609 CA LEU A 102 106.674 -1.826 10.959 1.00 0.00 C ATOM 1610 C LEU A 102 108.117 -1.451 10.611 1.00 0.00 C ATOM 1611 O LEU A 102 108.475 -0.291 10.606 1.00 0.00 O ATOM 1612 CB LEU A 102 105.716 -1.457 9.810 1.00 0.00 C ATOM 1613 CG LEU A 102 106.456 -1.425 8.464 1.00 0.00 C ATOM 1614 CD1 LEU A 102 107.027 -2.809 8.148 1.00 0.00 C ATOM 1615 CD2 LEU A 102 105.477 -1.026 7.356 1.00 0.00 C ATOM 0 H LEU A 102 106.565 -0.096 12.193 1.00 0.00 H new ATOM 0 HA LEU A 102 106.603 -2.902 11.119 1.00 0.00 H new ATOM 0 HB2 LEU A 102 104.902 -2.180 9.764 1.00 0.00 H new ATOM 0 HB3 LEU A 102 105.267 -0.483 10.005 1.00 0.00 H new ATOM 0 HG LEU A 102 107.269 -0.702 8.523 1.00 0.00 H new ATOM 0 HD11 LEU A 102 107.550 -2.777 7.192 1.00 0.00 H new ATOM 0 HD12 LEU A 102 107.724 -3.103 8.933 1.00 0.00 H new ATOM 0 HD13 LEU A 102 106.215 -3.534 8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 102 106.000 -1.003 6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 102 104.666 -1.752 7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 102 105.068 -0.039 7.570 1.00 0.00 H new ATOM 1627 N ASN A 103 108.954 -2.415 10.330 1.00 0.00 N ATOM 1628 CA ASN A 103 110.371 -2.091 9.999 1.00 0.00 C ATOM 1629 C ASN A 103 110.657 -2.529 8.567 1.00 0.00 C ATOM 1630 O ASN A 103 110.586 -3.695 8.241 1.00 0.00 O ATOM 1631 CB ASN A 103 111.305 -2.829 10.964 1.00 0.00 C ATOM 1632 CG ASN A 103 111.760 -1.874 12.071 1.00 0.00 C ATOM 1633 OD1 ASN A 103 110.958 -1.407 12.853 1.00 0.00 O ATOM 1634 ND2 ASN A 103 113.024 -1.563 12.168 1.00 0.00 N ATOM 0 H ASN A 103 108.719 -3.407 10.316 1.00 0.00 H new ATOM 0 HA ASN A 103 110.538 -1.018 10.094 1.00 0.00 H new ATOM 0 HB2 ASN A 103 110.791 -3.687 11.398 1.00 0.00 H new ATOM 0 HB3 ASN A 103 112.170 -3.215 10.425 1.00 0.00 H new ATOM 0 HD21 ASN A 103 113.338 -0.927 12.901 1.00 0.00 H new ATOM 0 HD22 ASN A 103 113.698 -1.956 11.511 1.00 0.00 H new ATOM 1641 N THR A 104 110.962 -1.603 7.702 1.00 0.00 N ATOM 1642 CA THR A 104 111.225 -1.975 6.288 1.00 0.00 C ATOM 1643 C THR A 104 112.559 -1.400 5.815 1.00 0.00 C ATOM 1644 O THR A 104 113.228 -0.669 6.519 1.00 0.00 O ATOM 1645 CB THR A 104 110.104 -1.413 5.415 1.00 0.00 C ATOM 1646 OG1 THR A 104 110.458 -1.542 4.045 1.00 0.00 O ATOM 1647 CG2 THR A 104 109.901 0.065 5.757 1.00 0.00 C ATOM 0 H THR A 104 111.040 -0.608 7.914 1.00 0.00 H new ATOM 0 HA THR A 104 111.266 -3.061 6.211 1.00 0.00 H new ATOM 0 HB THR A 104 109.181 -1.963 5.599 1.00 0.00 H new ATOM 0 HG1 THR A 104 110.452 -2.489 3.793 1.00 0.00 H new ATOM 0 HG21 THR A 104 109.103 0.475 5.139 1.00 0.00 H new ATOM 0 HG22 THR A 104 109.631 0.161 6.809 1.00 0.00 H new ATOM 0 HG23 THR A 104 110.824 0.612 5.567 1.00 0.00 H new ATOM 1655 N VAL A 105 112.937 -1.726 4.609 1.00 0.00 N ATOM 1656 CA VAL A 105 114.215 -1.211 4.046 1.00 0.00 C ATOM 1657 C VAL A 105 114.044 -1.006 2.538 1.00 0.00 C ATOM 1658 O VAL A 105 113.210 -1.628 1.913 1.00 0.00 O ATOM 1659 CB VAL A 105 115.334 -2.221 4.305 1.00 0.00 C ATOM 1660 CG1 VAL A 105 116.616 -1.750 3.618 1.00 0.00 C ATOM 1661 CG2 VAL A 105 115.576 -2.334 5.812 1.00 0.00 C ATOM 0 H VAL A 105 112.408 -2.334 3.984 1.00 0.00 H new ATOM 0 HA VAL A 105 114.474 -0.264 4.520 1.00 0.00 H new ATOM 0 HB VAL A 105 115.046 -3.194 3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 105 117.413 -2.470 3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 105 116.444 -1.666 2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 105 116.906 -0.778 4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 105 116.373 -3.053 6.000 1.00 0.00 H new ATOM 0 HG22 VAL A 105 115.865 -1.361 6.208 1.00 0.00 H new ATOM 0 HG23 VAL A 105 114.662 -2.669 6.303 1.00 0.00 H new ATOM 1671 N ARG A 106 114.820 -0.133 1.949 1.00 0.00 N ATOM 1672 CA ARG A 106 114.684 0.109 0.482 1.00 0.00 C ATOM 1673 C ARG A 106 116.047 -0.043 -0.200 1.00 0.00 C ATOM 1674 O ARG A 106 117.054 0.440 0.280 1.00 0.00 O ATOM 1675 CB ARG A 106 114.151 1.530 0.252 1.00 0.00 C ATOM 1676 CG ARG A 106 112.797 1.465 -0.458 1.00 0.00 C ATOM 1677 CD ARG A 106 112.150 2.852 -0.451 1.00 0.00 C ATOM 1678 NE ARG A 106 113.204 3.891 -0.625 1.00 0.00 N ATOM 1679 CZ ARG A 106 112.907 5.152 -0.475 1.00 0.00 C ATOM 1680 NH1 ARG A 106 113.830 6.062 -0.629 1.00 0.00 N ATOM 1681 NH2 ARG A 106 111.688 5.505 -0.171 1.00 0.00 N ATOM 0 H ARG A 106 115.538 0.420 2.417 1.00 0.00 H new ATOM 0 HA ARG A 106 113.991 -0.618 0.058 1.00 0.00 H new ATOM 0 HB2 ARG A 106 114.048 2.049 1.205 1.00 0.00 H new ATOM 0 HB3 ARG A 106 114.860 2.102 -0.347 1.00 0.00 H new ATOM 0 HG2 ARG A 106 112.928 1.118 -1.483 1.00 0.00 H new ATOM 0 HG3 ARG A 106 112.147 0.746 0.041 1.00 0.00 H new ATOM 0 HD2 ARG A 106 111.415 2.926 -1.252 1.00 0.00 H new ATOM 0 HD3 ARG A 106 111.617 3.012 0.486 1.00 0.00 H new ATOM 0 HE ARG A 106 114.157 3.616 -0.861 1.00 0.00 H new ATOM 0 HH11 ARG A 106 114.783 5.787 -0.867 1.00 0.00 H new ATOM 0 HH12 ARG A 106 113.598 7.048 -0.512 1.00 0.00 H new ATOM 0 HH21 ARG A 106 110.966 4.794 -0.050 1.00 0.00 H new ATOM 0 HH22 ARG A 106 111.457 6.492 -0.054 1.00 0.00 H new ATOM 1695 N GLU A 107 116.080 -0.708 -1.323 1.00 0.00 N ATOM 1696 CA GLU A 107 117.364 -0.895 -2.053 1.00 0.00 C ATOM 1697 C GLU A 107 117.101 -0.674 -3.545 1.00 0.00 C ATOM 1698 O GLU A 107 115.981 -0.774 -4.001 1.00 0.00 O ATOM 1699 CB GLU A 107 117.891 -2.316 -1.797 1.00 0.00 C ATOM 1700 CG GLU A 107 118.324 -2.972 -3.111 1.00 0.00 C ATOM 1701 CD GLU A 107 118.983 -4.320 -2.814 1.00 0.00 C ATOM 1702 OE1 GLU A 107 118.364 -5.123 -2.136 1.00 0.00 O ATOM 1703 OE2 GLU A 107 120.096 -4.528 -3.270 1.00 0.00 O ATOM 0 H GLU A 107 115.266 -1.132 -1.768 1.00 0.00 H new ATOM 0 HA GLU A 107 118.115 -0.184 -1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 107 118.734 -2.279 -1.107 1.00 0.00 H new ATOM 0 HB3 GLU A 107 117.116 -2.917 -1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 107 117.461 -3.112 -3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 107 119.021 -2.323 -3.642 1.00 0.00 H new ATOM 1710 N ILE A 108 118.112 -0.370 -4.314 1.00 0.00 N ATOM 1711 CA ILE A 108 117.900 -0.146 -5.757 1.00 0.00 C ATOM 1712 C ILE A 108 118.820 -1.074 -6.533 1.00 0.00 C ATOM 1713 O ILE A 108 119.891 -0.693 -6.962 1.00 0.00 O ATOM 1714 CB ILE A 108 118.231 1.300 -6.089 1.00 0.00 C ATOM 1715 CG1 ILE A 108 117.426 2.221 -5.163 1.00 0.00 C ATOM 1716 CG2 ILE A 108 117.865 1.563 -7.543 1.00 0.00 C ATOM 1717 CD1 ILE A 108 117.161 3.559 -5.853 1.00 0.00 C ATOM 0 H ILE A 108 119.076 -0.269 -3.996 1.00 0.00 H new ATOM 0 HA ILE A 108 116.863 -0.349 -6.024 1.00 0.00 H new ATOM 0 HB ILE A 108 119.294 1.493 -5.945 1.00 0.00 H new ATOM 0 HG12 ILE A 108 116.481 1.747 -4.897 1.00 0.00 H new ATOM 0 HG13 ILE A 108 117.973 2.384 -4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 108 118.097 2.598 -7.795 1.00 0.00 H new ATOM 0 HG22 ILE A 108 118.436 0.895 -8.188 1.00 0.00 H new ATOM 0 HG23 ILE A 108 116.799 1.385 -7.688 1.00 0.00 H new ATOM 0 HD11 ILE A 108 116.589 4.205 -5.187 1.00 0.00 H new ATOM 0 HD12 ILE A 108 118.110 4.037 -6.096 1.00 0.00 H new ATOM 0 HD13 ILE A 108 116.595 3.390 -6.769 1.00 0.00 H new ATOM 1729 N ILE A 109 118.412 -2.292 -6.710 1.00 0.00 N ATOM 1730 CA ILE A 109 119.266 -3.251 -7.452 1.00 0.00 C ATOM 1731 C ILE A 109 119.443 -2.753 -8.884 1.00 0.00 C ATOM 1732 O ILE A 109 118.659 -3.049 -9.763 1.00 0.00 O ATOM 1733 CB ILE A 109 118.605 -4.633 -7.458 1.00 0.00 C ATOM 1734 CG1 ILE A 109 118.884 -5.331 -6.125 1.00 0.00 C ATOM 1735 CG2 ILE A 109 119.178 -5.474 -8.604 1.00 0.00 C ATOM 1736 CD1 ILE A 109 118.086 -6.636 -6.052 1.00 0.00 C ATOM 0 H ILE A 109 117.525 -2.666 -6.374 1.00 0.00 H new ATOM 0 HA ILE A 109 120.240 -3.328 -6.969 1.00 0.00 H new ATOM 0 HB ILE A 109 117.530 -4.521 -7.597 1.00 0.00 H new ATOM 0 HG12 ILE A 109 119.950 -5.539 -6.028 1.00 0.00 H new ATOM 0 HG13 ILE A 109 118.609 -4.678 -5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 109 118.706 -6.456 -8.606 1.00 0.00 H new ATOM 0 HG22 ILE A 109 118.983 -4.976 -9.554 1.00 0.00 H new ATOM 0 HG23 ILE A 109 120.254 -5.589 -8.469 1.00 0.00 H new ATOM 0 HD11 ILE A 109 118.286 -7.132 -5.102 1.00 0.00 H new ATOM 0 HD12 ILE A 109 117.021 -6.416 -6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 109 118.382 -7.290 -6.872 1.00 0.00 H new ATOM 1748 N GLY A 110 120.480 -2.003 -9.121 1.00 0.00 N ATOM 1749 CA GLY A 110 120.733 -1.485 -10.496 1.00 0.00 C ATOM 1750 C GLY A 110 119.526 -0.682 -10.994 1.00 0.00 C ATOM 1751 O GLY A 110 119.529 0.533 -10.973 1.00 0.00 O ATOM 0 H GLY A 110 121.167 -1.724 -8.421 1.00 0.00 H new ATOM 0 HA2 GLY A 110 121.622 -0.855 -10.496 1.00 0.00 H new ATOM 0 HA3 GLY A 110 120.930 -2.315 -11.174 1.00 0.00 H new ATOM 1755 N ASP A 111 118.502 -1.349 -11.462 1.00 0.00 N ATOM 1756 CA ASP A 111 117.309 -0.620 -11.981 1.00 0.00 C ATOM 1757 C ASP A 111 116.026 -1.192 -11.374 1.00 0.00 C ATOM 1758 O ASP A 111 114.975 -1.165 -11.984 1.00 0.00 O ATOM 1759 CB ASP A 111 117.255 -0.750 -13.504 1.00 0.00 C ATOM 1760 CG ASP A 111 116.445 0.409 -14.088 1.00 0.00 C ATOM 1761 OD1 ASP A 111 117.022 1.463 -14.297 1.00 0.00 O ATOM 1762 OD2 ASP A 111 115.260 0.223 -14.315 1.00 0.00 O ATOM 0 H ASP A 111 118.442 -2.366 -11.507 1.00 0.00 H new ATOM 0 HA ASP A 111 117.391 0.431 -11.703 1.00 0.00 H new ATOM 0 HB2 ASP A 111 118.264 -0.746 -13.916 1.00 0.00 H new ATOM 0 HB3 ASP A 111 116.801 -1.701 -13.782 1.00 0.00 H new ATOM 1767 N GLU A 112 116.099 -1.707 -10.182 1.00 0.00 N ATOM 1768 CA GLU A 112 114.880 -2.275 -9.537 1.00 0.00 C ATOM 1769 C GLU A 112 114.788 -1.756 -8.102 1.00 0.00 C ATOM 1770 O GLU A 112 115.785 -1.636 -7.421 1.00 0.00 O ATOM 1771 CB GLU A 112 114.974 -3.802 -9.521 1.00 0.00 C ATOM 1772 CG GLU A 112 114.829 -4.339 -10.945 1.00 0.00 C ATOM 1773 CD GLU A 112 115.450 -5.735 -11.032 1.00 0.00 C ATOM 1774 OE1 GLU A 112 115.986 -6.188 -10.033 1.00 0.00 O ATOM 1775 OE2 GLU A 112 115.380 -6.328 -12.096 1.00 0.00 O ATOM 0 H GLU A 112 116.950 -1.761 -9.623 1.00 0.00 H new ATOM 0 HA GLU A 112 113.994 -1.974 -10.096 1.00 0.00 H new ATOM 0 HB2 GLU A 112 115.930 -4.113 -9.100 1.00 0.00 H new ATOM 0 HB3 GLU A 112 114.194 -4.218 -8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 112 113.776 -4.380 -11.224 1.00 0.00 H new ATOM 0 HG3 GLU A 112 115.319 -3.667 -11.650 1.00 0.00 H new ATOM 1782 N LEU A 113 113.607 -1.452 -7.624 1.00 0.00 N ATOM 1783 CA LEU A 113 113.504 -0.950 -6.219 1.00 0.00 C ATOM 1784 C LEU A 113 113.124 -2.105 -5.301 1.00 0.00 C ATOM 1785 O LEU A 113 112.020 -2.608 -5.345 1.00 0.00 O ATOM 1786 CB LEU A 113 112.447 0.153 -6.114 1.00 0.00 C ATOM 1787 CG LEU A 113 112.401 0.694 -4.681 1.00 0.00 C ATOM 1788 CD1 LEU A 113 113.421 1.826 -4.528 1.00 0.00 C ATOM 1789 CD2 LEU A 113 110.998 1.232 -4.384 1.00 0.00 C ATOM 0 H LEU A 113 112.726 -1.527 -8.133 1.00 0.00 H new ATOM 0 HA LEU A 113 114.468 -0.537 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 113 112.680 0.959 -6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 113 111.470 -0.239 -6.396 1.00 0.00 H new ATOM 0 HG LEU A 113 112.640 -0.108 -3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 113 113.388 2.210 -3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 113 114.420 1.446 -4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 113 113.182 2.628 -5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 113 110.964 1.617 -3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 113 110.760 2.034 -5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 113 110.270 0.428 -4.493 1.00 0.00 H new ATOM 1801 N VAL A 114 114.028 -2.524 -4.464 1.00 0.00 N ATOM 1802 CA VAL A 114 113.713 -3.643 -3.539 1.00 0.00 C ATOM 1803 C VAL A 114 113.259 -3.067 -2.202 1.00 0.00 C ATOM 1804 O VAL A 114 114.033 -2.475 -1.476 1.00 0.00 O ATOM 1805 CB VAL A 114 114.960 -4.503 -3.328 1.00 0.00 C ATOM 1806 CG1 VAL A 114 114.571 -5.819 -2.649 1.00 0.00 C ATOM 1807 CG2 VAL A 114 115.611 -4.798 -4.681 1.00 0.00 C ATOM 0 H VAL A 114 114.970 -2.141 -4.381 1.00 0.00 H new ATOM 0 HA VAL A 114 112.921 -4.260 -3.964 1.00 0.00 H new ATOM 0 HB VAL A 114 115.666 -3.966 -2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.462 -6.429 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 114 114.110 -5.608 -1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 114 113.863 -6.358 -3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 114 116.500 -5.411 -4.531 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.904 -5.333 -5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 114 115.893 -3.861 -5.161 1.00 0.00 H new ATOM 1817 N GLN A 115 112.012 -3.239 -1.867 1.00 0.00 N ATOM 1818 CA GLN A 115 111.510 -2.704 -0.575 1.00 0.00 C ATOM 1819 C GLN A 115 111.107 -3.873 0.314 1.00 0.00 C ATOM 1820 O GLN A 115 110.108 -4.524 0.084 1.00 0.00 O ATOM 1821 CB GLN A 115 110.295 -1.808 -0.826 1.00 0.00 C ATOM 1822 CG GLN A 115 109.822 -1.211 0.501 1.00 0.00 C ATOM 1823 CD GLN A 115 108.640 -0.273 0.248 1.00 0.00 C ATOM 1824 OE1 GLN A 115 108.225 -0.091 -0.879 1.00 0.00 O ATOM 1825 NE2 GLN A 115 108.077 0.333 1.257 1.00 0.00 N ATOM 0 H GLN A 115 111.319 -3.728 -2.434 1.00 0.00 H new ATOM 0 HA GLN A 115 112.289 -2.118 -0.088 1.00 0.00 H new ATOM 0 HB2 GLN A 115 110.554 -1.012 -1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 115 109.492 -2.385 -1.285 1.00 0.00 H new ATOM 0 HG2 GLN A 115 109.528 -2.007 1.185 1.00 0.00 H new ATOM 0 HG3 GLN A 115 110.637 -0.666 0.977 1.00 0.00 H new ATOM 0 HE21 GLN A 115 108.426 0.180 2.203 1.00 0.00 H new ATOM 0 HE22 GLN A 115 107.288 0.960 1.100 1.00 0.00 H new ATOM 1834 N THR A 116 111.878 -4.153 1.326 1.00 0.00 N ATOM 1835 CA THR A 116 111.531 -5.286 2.221 1.00 0.00 C ATOM 1836 C THR A 116 110.894 -4.752 3.496 1.00 0.00 C ATOM 1837 O THR A 116 111.255 -3.705 3.994 1.00 0.00 O ATOM 1838 CB THR A 116 112.793 -6.069 2.586 1.00 0.00 C ATOM 1839 OG1 THR A 116 113.726 -5.991 1.517 1.00 0.00 O ATOM 1840 CG2 THR A 116 112.433 -7.531 2.848 1.00 0.00 C ATOM 0 H THR A 116 112.730 -3.648 1.570 1.00 0.00 H new ATOM 0 HA THR A 116 110.832 -5.943 1.704 1.00 0.00 H new ATOM 0 HB THR A 116 113.236 -5.641 3.485 1.00 0.00 H new ATOM 0 HG1 THR A 116 114.535 -6.491 1.752 1.00 0.00 H new ATOM 0 HG21 THR A 116 113.334 -8.087 3.108 1.00 0.00 H new ATOM 0 HG22 THR A 116 111.721 -7.588 3.671 1.00 0.00 H new ATOM 0 HG23 THR A 116 111.987 -7.962 1.952 1.00 0.00 H new ATOM 1848 N TYR A 117 109.958 -5.474 4.035 1.00 0.00 N ATOM 1849 CA TYR A 117 109.306 -5.021 5.293 1.00 0.00 C ATOM 1850 C TYR A 117 109.455 -6.092 6.353 1.00 0.00 C ATOM 1851 O TYR A 117 109.579 -7.262 6.066 1.00 0.00 O ATOM 1852 CB TYR A 117 107.811 -4.763 5.087 1.00 0.00 C ATOM 1853 CG TYR A 117 107.584 -4.093 3.768 1.00 0.00 C ATOM 1854 CD1 TYR A 117 107.879 -4.781 2.603 1.00 0.00 C ATOM 1855 CD2 TYR A 117 107.070 -2.794 3.714 1.00 0.00 C ATOM 1856 CE1 TYR A 117 107.665 -4.179 1.360 1.00 0.00 C ATOM 1857 CE2 TYR A 117 106.853 -2.183 2.475 1.00 0.00 C ATOM 1858 CZ TYR A 117 107.151 -2.876 1.295 1.00 0.00 C ATOM 1859 OH TYR A 117 106.937 -2.279 0.069 1.00 0.00 O ATOM 0 H TYR A 117 109.615 -6.358 3.661 1.00 0.00 H new ATOM 0 HA TYR A 117 109.789 -4.094 5.601 1.00 0.00 H new ATOM 0 HB2 TYR A 117 107.263 -5.704 5.125 1.00 0.00 H new ATOM 0 HB3 TYR A 117 107.427 -4.137 5.893 1.00 0.00 H new ATOM 0 HD1 TYR A 117 108.275 -5.784 2.655 1.00 0.00 H new ATOM 0 HD2 TYR A 117 106.841 -2.264 4.627 1.00 0.00 H new ATOM 0 HE1 TYR A 117 107.895 -4.716 0.452 1.00 0.00 H new ATOM 0 HE2 TYR A 117 106.457 -1.179 2.428 1.00 0.00 H new ATOM 0 HH TYR A 117 107.367 -2.810 -0.633 1.00 0.00 H new ATOM 1869 N VAL A 118 109.408 -5.688 7.577 1.00 0.00 N ATOM 1870 CA VAL A 118 109.505 -6.654 8.704 1.00 0.00 C ATOM 1871 C VAL A 118 108.307 -6.452 9.601 1.00 0.00 C ATOM 1872 O VAL A 118 107.806 -5.356 9.754 1.00 0.00 O ATOM 1873 CB VAL A 118 110.759 -6.416 9.535 1.00 0.00 C ATOM 1874 CG1 VAL A 118 110.984 -7.609 10.469 1.00 0.00 C ATOM 1875 CG2 VAL A 118 111.971 -6.241 8.622 1.00 0.00 C ATOM 0 H VAL A 118 109.305 -4.713 7.858 1.00 0.00 H new ATOM 0 HA VAL A 118 109.543 -7.663 8.294 1.00 0.00 H new ATOM 0 HB VAL A 118 110.630 -5.509 10.125 1.00 0.00 H new ATOM 0 HG11 VAL A 118 111.881 -7.441 11.065 1.00 0.00 H new ATOM 0 HG12 VAL A 118 110.125 -7.720 11.130 1.00 0.00 H new ATOM 0 HG13 VAL A 118 111.106 -8.516 9.877 1.00 0.00 H new ATOM 0 HG21 VAL A 118 112.861 -6.072 9.228 1.00 0.00 H new ATOM 0 HG22 VAL A 118 112.107 -7.140 8.021 1.00 0.00 H new ATOM 0 HG23 VAL A 118 111.811 -5.386 7.965 1.00 0.00 H new ATOM 1885 N TYR A 119 107.843 -7.496 10.195 1.00 0.00 N ATOM 1886 CA TYR A 119 106.666 -7.352 11.085 1.00 0.00 C ATOM 1887 C TYR A 119 106.763 -8.301 12.280 1.00 0.00 C ATOM 1888 O TYR A 119 106.634 -9.503 12.158 1.00 0.00 O ATOM 1889 CB TYR A 119 105.393 -7.646 10.290 1.00 0.00 C ATOM 1890 CG TYR A 119 104.303 -6.695 10.719 1.00 0.00 C ATOM 1891 CD1 TYR A 119 103.606 -6.935 11.902 1.00 0.00 C ATOM 1892 CD2 TYR A 119 103.989 -5.580 9.933 1.00 0.00 C ATOM 1893 CE1 TYR A 119 102.588 -6.064 12.306 1.00 0.00 C ATOM 1894 CE2 TYR A 119 102.973 -4.705 10.335 1.00 0.00 C ATOM 1895 CZ TYR A 119 102.272 -4.947 11.522 1.00 0.00 C ATOM 1896 OH TYR A 119 101.269 -4.088 11.918 1.00 0.00 O ATOM 0 H TYR A 119 108.219 -8.440 10.109 1.00 0.00 H new ATOM 0 HA TYR A 119 106.638 -6.331 11.465 1.00 0.00 H new ATOM 0 HB2 TYR A 119 105.585 -7.539 9.222 1.00 0.00 H new ATOM 0 HB3 TYR A 119 105.078 -8.676 10.455 1.00 0.00 H new ATOM 0 HD1 TYR A 119 103.852 -7.795 12.508 1.00 0.00 H new ATOM 0 HD2 TYR A 119 104.530 -5.395 9.017 1.00 0.00 H new ATOM 0 HE1 TYR A 119 102.047 -6.253 13.221 1.00 0.00 H new ATOM 0 HE2 TYR A 119 102.730 -3.844 9.730 1.00 0.00 H new ATOM 0 HH TYR A 119 100.464 -4.603 12.134 1.00 0.00 H new ATOM 1906 N GLU A 120 106.970 -7.743 13.438 1.00 0.00 N ATOM 1907 CA GLU A 120 107.055 -8.557 14.685 1.00 0.00 C ATOM 1908 C GLU A 120 107.975 -9.756 14.496 1.00 0.00 C ATOM 1909 O GLU A 120 107.926 -10.712 15.246 1.00 0.00 O ATOM 1910 CB GLU A 120 105.657 -9.042 15.075 1.00 0.00 C ATOM 1911 CG GLU A 120 104.776 -7.840 15.417 1.00 0.00 C ATOM 1912 CD GLU A 120 105.269 -7.197 16.715 1.00 0.00 C ATOM 1913 OE1 GLU A 120 105.162 -5.987 16.832 1.00 0.00 O ATOM 1914 OE2 GLU A 120 105.746 -7.926 17.569 1.00 0.00 O ATOM 0 H GLU A 120 107.086 -6.739 13.577 1.00 0.00 H new ATOM 0 HA GLU A 120 107.466 -7.930 15.476 1.00 0.00 H new ATOM 0 HB2 GLU A 120 105.215 -9.608 14.255 1.00 0.00 H new ATOM 0 HB3 GLU A 120 105.720 -9.715 15.930 1.00 0.00 H new ATOM 0 HG2 GLU A 120 104.804 -7.113 14.605 1.00 0.00 H new ATOM 0 HG3 GLU A 120 103.739 -8.156 15.527 1.00 0.00 H new ATOM 1921 N GLY A 121 108.818 -9.714 13.515 1.00 0.00 N ATOM 1922 CA GLY A 121 109.749 -10.851 13.291 1.00 0.00 C ATOM 1923 C GLY A 121 109.387 -11.544 11.988 1.00 0.00 C ATOM 1924 O GLY A 121 109.637 -12.719 11.805 1.00 0.00 O ATOM 0 H GLY A 121 108.907 -8.942 12.854 1.00 0.00 H new ATOM 0 HA2 GLY A 121 110.778 -10.492 13.252 1.00 0.00 H new ATOM 0 HA3 GLY A 121 109.688 -11.555 14.121 1.00 0.00 H new ATOM 1928 N VAL A 122 108.823 -10.817 11.068 1.00 0.00 N ATOM 1929 CA VAL A 122 108.470 -11.410 9.767 1.00 0.00 C ATOM 1930 C VAL A 122 109.183 -10.610 8.712 1.00 0.00 C ATOM 1931 O VAL A 122 109.841 -9.634 9.008 1.00 0.00 O ATOM 1932 CB VAL A 122 106.963 -11.358 9.530 1.00 0.00 C ATOM 1933 CG1 VAL A 122 106.591 -10.095 8.751 1.00 0.00 C ATOM 1934 CG2 VAL A 122 106.535 -12.590 8.738 1.00 0.00 C ATOM 0 H VAL A 122 108.592 -9.829 11.170 1.00 0.00 H new ATOM 0 HA VAL A 122 108.766 -12.459 9.738 1.00 0.00 H new ATOM 0 HB VAL A 122 106.452 -11.340 10.493 1.00 0.00 H new ATOM 0 HG11 VAL A 122 105.513 -10.071 8.589 1.00 0.00 H new ATOM 0 HG12 VAL A 122 106.892 -9.215 9.319 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.102 -10.097 7.788 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.459 -12.557 8.567 1.00 0.00 H new ATOM 0 HG22 VAL A 122 107.055 -12.605 7.780 1.00 0.00 H new ATOM 0 HG23 VAL A 122 106.785 -13.489 9.301 1.00 0.00 H new ATOM 1944 N GLU A 123 109.070 -10.997 7.493 1.00 0.00 N ATOM 1945 CA GLU A 123 109.770 -10.220 6.446 1.00 0.00 C ATOM 1946 C GLU A 123 109.099 -10.398 5.082 1.00 0.00 C ATOM 1947 O GLU A 123 108.930 -11.499 4.596 1.00 0.00 O ATOM 1948 CB GLU A 123 111.230 -10.682 6.360 1.00 0.00 C ATOM 1949 CG GLU A 123 112.142 -9.646 7.022 1.00 0.00 C ATOM 1950 CD GLU A 123 113.604 -10.044 6.811 1.00 0.00 C ATOM 1951 OE1 GLU A 123 114.334 -9.259 6.230 1.00 0.00 O ATOM 1952 OE2 GLU A 123 113.969 -11.128 7.237 1.00 0.00 O ATOM 0 H GLU A 123 108.535 -11.803 7.171 1.00 0.00 H new ATOM 0 HA GLU A 123 109.725 -9.165 6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 123 111.345 -11.648 6.852 1.00 0.00 H new ATOM 0 HB3 GLU A 123 111.517 -10.819 5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 123 111.958 -8.659 6.597 1.00 0.00 H new ATOM 0 HG3 GLU A 123 111.922 -9.580 8.088 1.00 0.00 H new ATOM 1959 N ALA A 124 108.746 -9.311 4.451 1.00 0.00 N ATOM 1960 CA ALA A 124 108.119 -9.388 3.101 1.00 0.00 C ATOM 1961 C ALA A 124 109.031 -8.666 2.109 1.00 0.00 C ATOM 1962 O ALA A 124 109.778 -7.785 2.484 1.00 0.00 O ATOM 1963 CB ALA A 124 106.742 -8.717 3.123 1.00 0.00 C ATOM 0 H ALA A 124 108.866 -8.366 4.816 1.00 0.00 H new ATOM 0 HA ALA A 124 107.991 -10.430 2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 124 106.292 -8.778 2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 124 106.102 -9.224 3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 124 106.852 -7.671 3.408 1.00 0.00 H new ATOM 1969 N LYS A 125 108.997 -9.028 0.852 1.00 0.00 N ATOM 1970 CA LYS A 125 109.891 -8.345 -0.126 1.00 0.00 C ATOM 1971 C LYS A 125 109.103 -7.885 -1.353 1.00 0.00 C ATOM 1972 O LYS A 125 108.248 -8.583 -1.861 1.00 0.00 O ATOM 1973 CB LYS A 125 110.993 -9.308 -0.572 1.00 0.00 C ATOM 1974 CG LYS A 125 112.132 -8.522 -1.234 1.00 0.00 C ATOM 1975 CD LYS A 125 113.455 -9.272 -1.048 1.00 0.00 C ATOM 1976 CE LYS A 125 113.463 -10.528 -1.922 1.00 0.00 C ATOM 1977 NZ LYS A 125 114.534 -11.451 -1.456 1.00 0.00 N ATOM 0 H LYS A 125 108.397 -9.757 0.466 1.00 0.00 H new ATOM 0 HA LYS A 125 110.329 -7.473 0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 125 111.372 -9.863 0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 125 110.589 -10.039 -1.272 1.00 0.00 H new ATOM 0 HG2 LYS A 125 111.925 -8.388 -2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 125 112.203 -7.527 -0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 125 114.291 -8.626 -1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 125 113.585 -9.545 -0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 125 112.494 -11.024 -1.873 1.00 0.00 H new ATOM 0 HE3 LYS A 125 113.630 -10.257 -2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 115.174 -11.667 -2.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 115.072 -11.000 -0.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 114.105 -12.332 -1.107 1.00 0.00 H new ATOM 1991 N ARG A 126 109.407 -6.712 -1.838 1.00 0.00 N ATOM 1992 CA ARG A 126 108.707 -6.186 -3.045 1.00 0.00 C ATOM 1993 C ARG A 126 109.748 -5.552 -3.969 1.00 0.00 C ATOM 1994 O ARG A 126 110.371 -4.568 -3.625 1.00 0.00 O ATOM 1995 CB ARG A 126 107.683 -5.131 -2.624 1.00 0.00 C ATOM 1996 CG ARG A 126 106.376 -5.816 -2.218 1.00 0.00 C ATOM 1997 CD ARG A 126 105.304 -4.759 -1.944 1.00 0.00 C ATOM 1998 NE ARG A 126 105.383 -4.331 -0.518 1.00 0.00 N ATOM 1999 CZ ARG A 126 104.501 -3.496 -0.038 1.00 0.00 C ATOM 2000 NH1 ARG A 126 104.568 -3.124 1.211 1.00 0.00 N ATOM 2001 NH2 ARG A 126 103.553 -3.036 -0.807 1.00 0.00 N ATOM 0 H ARG A 126 110.115 -6.091 -1.447 1.00 0.00 H new ATOM 0 HA ARG A 126 108.190 -6.995 -3.562 1.00 0.00 H new ATOM 0 HB2 ARG A 126 108.072 -4.545 -1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 126 107.502 -4.438 -3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 126 106.045 -6.487 -3.010 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.535 -6.426 -1.329 1.00 0.00 H new ATOM 0 HD2 ARG A 126 105.447 -3.901 -2.601 1.00 0.00 H new ATOM 0 HD3 ARG A 126 104.315 -5.164 -2.159 1.00 0.00 H new ATOM 0 HE ARG A 126 106.125 -4.690 0.082 1.00 0.00 H new ATOM 0 HH11 ARG A 126 105.309 -3.485 1.812 1.00 0.00 H new ATOM 0 HH12 ARG A 126 103.879 -2.472 1.587 1.00 0.00 H new ATOM 0 HH21 ARG A 126 103.501 -3.329 -1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 126 102.864 -2.384 -0.433 1.00 0.00 H new ATOM 2015 N ILE A 127 109.964 -6.113 -5.129 1.00 0.00 N ATOM 2016 CA ILE A 127 110.993 -5.540 -6.047 1.00 0.00 C ATOM 2017 C ILE A 127 110.334 -4.908 -7.273 1.00 0.00 C ATOM 2018 O ILE A 127 109.611 -5.551 -8.006 1.00 0.00 O ATOM 2019 CB ILE A 127 111.932 -6.653 -6.513 1.00 0.00 C ATOM 2020 CG1 ILE A 127 112.453 -7.441 -5.304 1.00 0.00 C ATOM 2021 CG2 ILE A 127 113.111 -6.045 -7.278 1.00 0.00 C ATOM 2022 CD1 ILE A 127 112.527 -8.928 -5.659 1.00 0.00 C ATOM 0 H ILE A 127 109.477 -6.938 -5.480 1.00 0.00 H new ATOM 0 HA ILE A 127 111.549 -4.773 -5.507 1.00 0.00 H new ATOM 0 HB ILE A 127 111.384 -7.329 -7.169 1.00 0.00 H new ATOM 0 HG12 ILE A 127 113.438 -7.075 -5.015 1.00 0.00 H new ATOM 0 HG13 ILE A 127 111.794 -7.293 -4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 127 113.779 -6.840 -7.609 1.00 0.00 H new ATOM 0 HG22 ILE A 127 112.739 -5.499 -8.145 1.00 0.00 H new ATOM 0 HG23 ILE A 127 113.655 -5.363 -6.625 1.00 0.00 H new ATOM 0 HD11 ILE A 127 112.897 -9.489 -4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 127 111.534 -9.288 -5.927 1.00 0.00 H new ATOM 0 HD13 ILE A 127 113.203 -9.067 -6.503 1.00 0.00 H new ATOM 2034 N PHE A 128 110.601 -3.652 -7.508 1.00 0.00 N ATOM 2035 CA PHE A 128 110.016 -2.967 -8.695 1.00 0.00 C ATOM 2036 C PHE A 128 111.052 -2.923 -9.822 1.00 0.00 C ATOM 2037 O PHE A 128 112.210 -3.236 -9.628 1.00 0.00 O ATOM 2038 CB PHE A 128 109.633 -1.525 -8.329 1.00 0.00 C ATOM 2039 CG PHE A 128 108.767 -1.500 -7.094 1.00 0.00 C ATOM 2040 CD1 PHE A 128 108.073 -2.642 -6.721 1.00 0.00 C ATOM 2041 CD2 PHE A 128 108.655 -0.330 -6.335 1.00 0.00 C ATOM 2042 CE1 PHE A 128 107.256 -2.630 -5.585 1.00 0.00 C ATOM 2043 CE2 PHE A 128 107.841 -0.312 -5.196 1.00 0.00 C ATOM 2044 CZ PHE A 128 107.140 -1.464 -4.820 1.00 0.00 C ATOM 0 H PHE A 128 111.202 -3.069 -6.926 1.00 0.00 H new ATOM 0 HA PHE A 128 109.131 -3.515 -9.018 1.00 0.00 H new ATOM 0 HB2 PHE A 128 110.534 -0.936 -8.159 1.00 0.00 H new ATOM 0 HB3 PHE A 128 109.102 -1.062 -9.161 1.00 0.00 H new ATOM 0 HD1 PHE A 128 108.164 -3.543 -7.309 1.00 0.00 H new ATOM 0 HD2 PHE A 128 109.196 0.558 -6.627 1.00 0.00 H new ATOM 0 HE1 PHE A 128 106.715 -3.520 -5.299 1.00 0.00 H new ATOM 0 HE2 PHE A 128 107.754 0.590 -4.608 1.00 0.00 H new ATOM 0 HZ PHE A 128 106.511 -1.453 -3.942 1.00 0.00 H new ATOM 2054 N LYS A 129 110.639 -2.517 -10.993 1.00 0.00 N ATOM 2055 CA LYS A 129 111.581 -2.433 -12.146 1.00 0.00 C ATOM 2056 C LYS A 129 111.077 -1.377 -13.132 1.00 0.00 C ATOM 2057 O LYS A 129 109.915 -1.021 -13.134 1.00 0.00 O ATOM 2058 CB LYS A 129 111.651 -3.787 -12.854 1.00 0.00 C ATOM 2059 CG LYS A 129 112.860 -3.809 -13.793 1.00 0.00 C ATOM 2060 CD LYS A 129 113.088 -5.233 -14.304 1.00 0.00 C ATOM 2061 CE LYS A 129 112.130 -5.521 -15.462 1.00 0.00 C ATOM 2062 NZ LYS A 129 112.358 -4.532 -16.553 1.00 0.00 N ATOM 0 H LYS A 129 109.680 -2.238 -11.201 1.00 0.00 H new ATOM 0 HA LYS A 129 112.572 -2.161 -11.784 1.00 0.00 H new ATOM 0 HB2 LYS A 129 111.732 -4.589 -12.121 1.00 0.00 H new ATOM 0 HB3 LYS A 129 110.735 -3.962 -13.418 1.00 0.00 H new ATOM 0 HG2 LYS A 129 112.694 -3.133 -14.632 1.00 0.00 H new ATOM 0 HG3 LYS A 129 113.747 -3.454 -13.268 1.00 0.00 H new ATOM 0 HD2 LYS A 129 114.120 -5.351 -14.634 1.00 0.00 H new ATOM 0 HD3 LYS A 129 112.927 -5.950 -13.499 1.00 0.00 H new ATOM 0 HE2 LYS A 129 112.287 -6.533 -15.835 1.00 0.00 H new ATOM 0 HE3 LYS A 129 111.098 -5.466 -15.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 112.350 -5.020 -17.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 111.604 -3.816 -16.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 113.279 -4.069 -16.415 1.00 0.00 H new ATOM 2076 N LYS A 130 111.941 -0.875 -13.971 1.00 0.00 N ATOM 2077 CA LYS A 130 111.509 0.157 -14.956 1.00 0.00 C ATOM 2078 C LYS A 130 110.379 -0.405 -15.821 1.00 0.00 C ATOM 2079 O LYS A 130 110.448 -1.517 -16.304 1.00 0.00 O ATOM 2080 CB LYS A 130 112.694 0.535 -15.848 1.00 0.00 C ATOM 2081 CG LYS A 130 113.427 -0.734 -16.288 1.00 0.00 C ATOM 2082 CD LYS A 130 114.549 -0.365 -17.261 1.00 0.00 C ATOM 2083 CE LYS A 130 115.324 -1.626 -17.650 1.00 0.00 C ATOM 2084 NZ LYS A 130 115.942 -1.435 -18.992 1.00 0.00 N ATOM 0 H LYS A 130 112.926 -1.134 -14.017 1.00 0.00 H new ATOM 0 HA LYS A 130 111.155 1.041 -14.426 1.00 0.00 H new ATOM 0 HB2 LYS A 130 112.344 1.087 -16.721 1.00 0.00 H new ATOM 0 HB3 LYS A 130 113.375 1.192 -15.307 1.00 0.00 H new ATOM 0 HG2 LYS A 130 113.839 -1.248 -15.420 1.00 0.00 H new ATOM 0 HG3 LYS A 130 112.730 -1.423 -16.765 1.00 0.00 H new ATOM 0 HD2 LYS A 130 114.132 0.107 -18.151 1.00 0.00 H new ATOM 0 HD3 LYS A 130 115.220 0.360 -16.800 1.00 0.00 H new ATOM 0 HE2 LYS A 130 116.096 -1.835 -16.909 1.00 0.00 H new ATOM 0 HE3 LYS A 130 114.655 -2.487 -17.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 116.469 -2.292 -19.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 115.197 -1.256 -19.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 116.592 -0.624 -18.962 1.00 0.00 H new ATOM 2098 N ASP A 131 109.338 0.356 -16.020 1.00 0.00 N ATOM 2099 CA ASP A 131 108.205 -0.136 -16.854 1.00 0.00 C ATOM 2100 C ASP A 131 108.630 -0.171 -18.322 1.00 0.00 C ATOM 2101 O ASP A 131 109.812 -0.012 -18.580 1.00 0.00 O ATOM 2102 CB ASP A 131 107.006 0.802 -16.692 1.00 0.00 C ATOM 2103 CG ASP A 131 105.838 0.289 -17.536 1.00 0.00 C ATOM 2104 OD1 ASP A 131 104.926 1.061 -17.781 1.00 0.00 O ATOM 2105 OD2 ASP A 131 105.877 -0.868 -17.923 1.00 0.00 O ATOM 0 H ASP A 131 109.223 1.296 -15.642 1.00 0.00 H new ATOM 0 HA ASP A 131 107.927 -1.140 -16.532 1.00 0.00 H new ATOM 0 HB2 ASP A 131 106.714 0.858 -15.643 1.00 0.00 H new ATOM 0 HB3 ASP A 131 107.276 1.812 -17.002 1.00 0.00 H new TER 2110 ASP A 131