USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 567 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 83 SER OG : rot -134:sc= 1.56 USER MOD Set 1.2: A 85 THR OG1 : rot -18:sc= 0.857 USER MOD Set 1.3: A 86 THR OG1 : rot -160:sc= -0.131 USER MOD Set 2.1: A 17 TYR OH : rot 180:sc= 0.32 USER MOD Set 2.2: A 73 LYS NZ :NH3+ 173:sc= 0.315 (180deg=-0.0052) USER MOD Set 3.1: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 65 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Set 4.1: A 50 ASN :FLIP amide:sc= -3.43! F(o=-4.2,f=-3.5!) USER MOD Set 4.2: A 89 ASN : amide:sc= -0.0476 X(o=-3.5,f=-3.6) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0696 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 6:sc= 1.2 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0858 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0953 X(o=-0.095,f=-0.17) USER MOD Single : A 41 THR OG1 : rot -160:sc= -3.28! USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.01 X(o=-1,f=-1.5) USER MOD Single : A 53 LYS NZ :NH3+ 145:sc= 0.845 (180deg=-0.0935) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -3.28 K(o=-3.3,f=-5.7!) USER MOD Single : A 66 ASN : amide:sc= -1.3 K(o=-1.3,f=-5.1!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.113 K(o=-0.11,f=-2.2!) USER MOD Single : A 90 THR OG1 : rot -67:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 11 N ILE A 2 3.285 -2.049 -2.852 1.00 33.32 N ATOM 12 CA ILE A 2 3.802 -3.110 -3.707 1.00 51.04 C ATOM 13 C ILE A 2 4.912 -2.592 -4.615 1.00 4.01 C ATOM 14 O ILE A 2 5.284 -1.420 -4.551 1.00 62.23 O ATOM 15 CB ILE A 2 2.689 -3.725 -4.576 1.00 61.25 C ATOM 16 CG1 ILE A 2 2.229 -2.724 -5.639 1.00 25.44 C ATOM 17 CG2 ILE A 2 1.518 -4.159 -3.708 1.00 71.50 C ATOM 18 CD1 ILE A 2 1.100 -3.238 -6.504 1.00 14.54 C ATOM 0 HA ILE A 2 4.204 -3.879 -3.048 1.00 51.04 H new ATOM 0 HB ILE A 2 3.088 -4.605 -5.081 1.00 61.25 H new ATOM 0 HG12 ILE A 2 1.910 -1.805 -5.147 1.00 25.44 H new ATOM 0 HG13 ILE A 2 3.076 -2.467 -6.276 1.00 25.44 H new ATOM 0 HG21 ILE A 2 0.740 -4.592 -4.337 1.00 71.50 H new ATOM 0 HG22 ILE A 2 1.856 -4.902 -2.986 1.00 71.50 H new ATOM 0 HG23 ILE A 2 1.118 -3.295 -3.178 1.00 71.50 H new ATOM 0 HD11 ILE A 2 0.826 -2.477 -7.234 1.00 14.54 H new ATOM 0 HD12 ILE A 2 1.422 -4.140 -7.024 1.00 14.54 H new ATOM 0 HD13 ILE A 2 0.238 -3.468 -5.878 1.00 14.54 H new ATOM 30 N SER A 3 5.437 -3.473 -5.461 1.00 2.13 N ATOM 31 CA SER A 3 6.507 -3.105 -6.381 1.00 21.41 C ATOM 32 C SER A 3 6.137 -3.467 -7.816 1.00 41.23 C ATOM 33 O SER A 3 5.706 -4.586 -8.096 1.00 4.01 O ATOM 34 CB SER A 3 7.810 -3.804 -5.987 1.00 11.13 C ATOM 35 OG SER A 3 8.088 -3.624 -4.609 1.00 22.21 O ATOM 0 H SER A 3 5.139 -4.446 -5.528 1.00 2.13 H new ATOM 0 HA SER A 3 6.649 -2.026 -6.321 1.00 21.41 H new ATOM 0 HB2 SER A 3 7.738 -4.868 -6.211 1.00 11.13 H new ATOM 0 HB3 SER A 3 8.633 -3.408 -6.582 1.00 11.13 H new ATOM 0 HG SER A 3 8.924 -4.081 -4.382 1.00 22.21 H new ATOM 41 N CYS A 4 6.308 -2.511 -8.723 1.00 43.22 N ATOM 42 CA CYS A 4 5.993 -2.726 -10.130 1.00 52.52 C ATOM 43 C CYS A 4 6.657 -3.998 -10.649 1.00 3.43 C ATOM 44 O CYS A 4 6.145 -4.653 -11.555 1.00 61.10 O ATOM 45 CB CYS A 4 6.444 -1.525 -10.965 1.00 13.04 C ATOM 46 SG CYS A 4 5.752 0.067 -10.411 1.00 73.25 S ATOM 0 H CYS A 4 6.663 -1.579 -8.508 1.00 43.22 H new ATOM 0 HA CYS A 4 4.913 -2.838 -10.221 1.00 52.52 H new ATOM 0 HB2 CYS A 4 7.532 -1.465 -10.938 1.00 13.04 H new ATOM 0 HB3 CYS A 4 6.159 -1.691 -12.004 1.00 13.04 H new ATOM 51 N GLY A 5 7.802 -4.341 -10.066 1.00 2.41 N ATOM 52 CA GLY A 5 8.518 -5.532 -10.481 1.00 63.45 C ATOM 53 C GLY A 5 7.633 -6.762 -10.504 1.00 72.44 C ATOM 54 O GLY A 5 7.682 -7.554 -11.446 1.00 3.44 O ATOM 0 H GLY A 5 8.246 -3.815 -9.314 1.00 2.41 H new ATOM 0 HA2 GLY A 5 8.938 -5.372 -11.474 1.00 63.45 H new ATOM 0 HA3 GLY A 5 9.355 -5.703 -9.804 1.00 63.45 H new ATOM 58 N ALA A 6 6.821 -6.925 -9.464 1.00 44.15 N ATOM 59 CA ALA A 6 5.921 -8.067 -9.369 1.00 70.22 C ATOM 60 C ALA A 6 4.613 -7.798 -10.105 1.00 13.22 C ATOM 61 O ALA A 6 3.859 -8.722 -10.410 1.00 14.10 O ATOM 62 CB ALA A 6 5.649 -8.405 -7.911 1.00 11.43 C ATOM 0 H ALA A 6 6.769 -6.280 -8.676 1.00 44.15 H new ATOM 0 HA ALA A 6 6.405 -8.920 -9.844 1.00 70.22 H new ATOM 0 HB1 ALA A 6 4.975 -9.260 -7.855 1.00 11.43 H new ATOM 0 HB2 ALA A 6 6.587 -8.649 -7.413 1.00 11.43 H new ATOM 0 HB3 ALA A 6 5.189 -7.548 -7.419 1.00 11.43 H new ATOM 68 N VAL A 7 4.349 -6.526 -10.387 1.00 15.24 N ATOM 69 CA VAL A 7 3.131 -6.135 -11.087 1.00 0.21 C ATOM 70 C VAL A 7 3.204 -6.504 -12.564 1.00 61.32 C ATOM 71 O VAL A 7 2.266 -7.077 -13.120 1.00 41.12 O ATOM 72 CB VAL A 7 2.872 -4.622 -10.960 1.00 15.14 C ATOM 73 CG1 VAL A 7 1.582 -4.240 -11.670 1.00 41.51 C ATOM 74 CG2 VAL A 7 2.825 -4.211 -9.496 1.00 23.13 C ATOM 0 H VAL A 7 4.962 -5.749 -10.141 1.00 15.24 H new ATOM 0 HA VAL A 7 2.309 -6.678 -10.620 1.00 0.21 H new ATOM 0 HB VAL A 7 3.694 -4.089 -11.438 1.00 15.14 H new ATOM 0 HG11 VAL A 7 1.415 -3.167 -11.570 1.00 41.51 H new ATOM 0 HG12 VAL A 7 1.658 -4.498 -12.726 1.00 41.51 H new ATOM 0 HG13 VAL A 7 0.747 -4.780 -11.223 1.00 41.51 H new ATOM 0 HG21 VAL A 7 2.641 -3.139 -9.425 1.00 23.13 H new ATOM 0 HG22 VAL A 7 2.023 -4.751 -8.992 1.00 23.13 H new ATOM 0 HG23 VAL A 7 3.777 -4.448 -9.021 1.00 23.13 H new ATOM 84 N THR A 8 4.326 -6.173 -13.197 1.00 33.43 N ATOM 85 CA THR A 8 4.522 -6.469 -14.610 1.00 71.52 C ATOM 86 C THR A 8 4.827 -7.947 -14.825 1.00 71.51 C ATOM 87 O THR A 8 4.267 -8.583 -15.718 1.00 73.20 O ATOM 88 CB THR A 8 5.667 -5.629 -15.207 1.00 14.24 C ATOM 89 OG1 THR A 8 6.901 -5.952 -14.557 1.00 43.43 O ATOM 90 CG2 THR A 8 5.382 -4.142 -15.055 1.00 73.12 C ATOM 0 H THR A 8 5.113 -5.700 -12.752 1.00 33.43 H new ATOM 0 HA THR A 8 3.592 -6.215 -15.118 1.00 71.52 H new ATOM 0 HB THR A 8 5.744 -5.862 -16.269 1.00 14.24 H new ATOM 0 HG1 THR A 8 7.624 -5.415 -14.943 1.00 43.43 H new ATOM 0 HG21 THR A 8 6.204 -3.568 -15.484 1.00 73.12 H new ATOM 0 HG22 THR A 8 4.457 -3.894 -15.575 1.00 73.12 H new ATOM 0 HG23 THR A 8 5.281 -3.897 -13.998 1.00 73.12 H new ATOM 98 N SER A 9 5.718 -8.489 -14.001 1.00 32.23 N ATOM 99 CA SER A 9 6.100 -9.893 -14.103 1.00 55.20 C ATOM 100 C SER A 9 4.869 -10.794 -14.071 1.00 20.24 C ATOM 101 O SER A 9 4.766 -11.751 -14.839 1.00 1.32 O ATOM 102 CB SER A 9 7.051 -10.269 -12.966 1.00 2.44 C ATOM 103 OG SER A 9 7.905 -11.334 -13.346 1.00 41.30 O ATOM 0 H SER A 9 6.189 -7.977 -13.255 1.00 32.23 H new ATOM 0 HA SER A 9 6.610 -10.037 -15.055 1.00 55.20 H new ATOM 0 HB2 SER A 9 7.649 -9.402 -12.686 1.00 2.44 H new ATOM 0 HB3 SER A 9 6.475 -10.557 -12.086 1.00 2.44 H new ATOM 0 HG SER A 9 8.504 -11.554 -12.602 1.00 41.30 H new ATOM 109 N ASP A 10 3.938 -10.482 -13.176 1.00 2.42 N ATOM 110 CA ASP A 10 2.713 -11.262 -13.042 1.00 43.45 C ATOM 111 C ASP A 10 1.957 -11.315 -14.366 1.00 35.51 C ATOM 112 O ASP A 10 1.161 -12.226 -14.602 1.00 12.32 O ATOM 113 CB ASP A 10 1.820 -10.665 -11.954 1.00 33.43 C ATOM 114 CG ASP A 10 2.287 -11.029 -10.558 1.00 1.40 C ATOM 115 OD1 ASP A 10 3.450 -11.461 -10.415 1.00 61.11 O ATOM 116 OD2 ASP A 10 1.490 -10.879 -9.608 1.00 62.44 O ATOM 0 H ASP A 10 4.008 -9.694 -12.532 1.00 2.42 H new ATOM 0 HA ASP A 10 2.987 -12.278 -12.759 1.00 43.45 H new ATOM 0 HB2 ASP A 10 1.803 -9.580 -12.057 1.00 33.43 H new ATOM 0 HB3 ASP A 10 0.797 -11.015 -12.095 1.00 33.43 H new ATOM 121 N LEU A 11 2.209 -10.335 -15.226 1.00 14.21 N ATOM 122 CA LEU A 11 1.550 -10.269 -16.526 1.00 64.41 C ATOM 123 C LEU A 11 2.513 -10.659 -17.644 1.00 34.13 C ATOM 124 O LEU A 11 2.265 -10.377 -18.816 1.00 71.11 O ATOM 125 CB LEU A 11 1.006 -8.862 -16.774 1.00 41.50 C ATOM 126 CG LEU A 11 -0.258 -8.485 -16.000 1.00 41.35 C ATOM 127 CD1 LEU A 11 -0.785 -7.135 -16.464 1.00 22.44 C ATOM 128 CD2 LEU A 11 -1.323 -9.560 -16.163 1.00 1.50 C ATOM 0 H LEU A 11 2.865 -9.575 -15.047 1.00 14.21 H new ATOM 0 HA LEU A 11 0.721 -10.976 -16.522 1.00 64.41 H new ATOM 0 HB2 LEU A 11 1.787 -8.143 -16.527 1.00 41.50 H new ATOM 0 HB3 LEU A 11 0.801 -8.756 -17.839 1.00 41.50 H new ATOM 0 HG LEU A 11 -0.005 -8.409 -14.942 1.00 41.35 H new ATOM 0 HD11 LEU A 11 -1.685 -6.883 -15.902 1.00 22.44 H new ATOM 0 HD12 LEU A 11 -0.026 -6.371 -16.296 1.00 22.44 H new ATOM 0 HD13 LEU A 11 -1.022 -7.183 -17.527 1.00 22.44 H new ATOM 0 HD21 LEU A 11 -2.215 -9.275 -15.606 1.00 1.50 H new ATOM 0 HD22 LEU A 11 -1.573 -9.667 -17.218 1.00 1.50 H new ATOM 0 HD23 LEU A 11 -0.944 -10.508 -15.782 1.00 1.50 H new ATOM 140 N SER A 12 3.610 -11.311 -17.272 1.00 50.24 N ATOM 141 CA SER A 12 4.611 -11.738 -18.243 1.00 75.23 C ATOM 142 C SER A 12 3.980 -12.610 -19.325 1.00 21.20 C ATOM 143 O SER A 12 4.017 -12.293 -20.514 1.00 3.10 O ATOM 144 CB SER A 12 5.735 -12.505 -17.545 1.00 33.43 C ATOM 145 OG SER A 12 6.819 -11.648 -17.232 1.00 20.53 O ATOM 0 H SER A 12 3.828 -11.555 -16.306 1.00 50.24 H new ATOM 0 HA SER A 12 5.027 -10.848 -18.715 1.00 75.23 H new ATOM 0 HB2 SER A 12 5.354 -12.963 -16.632 1.00 33.43 H new ATOM 0 HB3 SER A 12 6.081 -13.314 -18.188 1.00 33.43 H new ATOM 0 HG SER A 12 7.524 -12.162 -16.785 1.00 20.53 H new ATOM 151 N PRO A 13 3.387 -13.737 -18.904 1.00 54.00 N ATOM 152 CA PRO A 13 2.736 -14.679 -19.820 1.00 10.32 C ATOM 153 C PRO A 13 1.454 -14.112 -20.420 1.00 41.42 C ATOM 154 O PRO A 13 0.900 -14.670 -21.367 1.00 73.31 O ATOM 155 CB PRO A 13 2.422 -15.882 -18.927 1.00 53.22 C ATOM 156 CG PRO A 13 2.325 -15.318 -17.552 1.00 10.13 C ATOM 157 CD PRO A 13 3.305 -14.178 -17.502 1.00 35.15 C ATOM 0 HA PRO A 13 3.368 -14.919 -20.675 1.00 10.32 H new ATOM 0 HB2 PRO A 13 1.490 -16.363 -19.224 1.00 53.22 H new ATOM 0 HB3 PRO A 13 3.205 -16.637 -18.991 1.00 53.22 H new ATOM 0 HG2 PRO A 13 1.313 -14.972 -17.343 1.00 10.13 H new ATOM 0 HG3 PRO A 13 2.565 -16.072 -16.803 1.00 10.13 H new ATOM 0 HD2 PRO A 13 2.957 -13.378 -16.849 1.00 35.15 H new ATOM 0 HD3 PRO A 13 4.276 -14.499 -17.124 1.00 35.15 H new ATOM 165 N CYS A 14 0.988 -12.998 -19.864 1.00 72.50 N ATOM 166 CA CYS A 14 -0.229 -12.355 -20.344 1.00 51.11 C ATOM 167 C CYS A 14 0.091 -11.316 -21.415 1.00 62.22 C ATOM 168 O CYS A 14 -0.729 -11.039 -22.292 1.00 24.01 O ATOM 169 CB CYS A 14 -0.973 -11.693 -19.183 1.00 33.13 C ATOM 170 SG CYS A 14 -1.469 -12.847 -17.863 1.00 71.23 S ATOM 0 H CYS A 14 1.435 -12.522 -19.080 1.00 72.50 H new ATOM 0 HA CYS A 14 -0.866 -13.122 -20.785 1.00 51.11 H new ATOM 0 HB2 CYS A 14 -0.338 -10.918 -18.754 1.00 33.13 H new ATOM 0 HB3 CYS A 14 -1.863 -11.198 -19.571 1.00 33.13 H new ATOM 175 N LEU A 15 1.288 -10.745 -21.338 1.00 61.23 N ATOM 176 CA LEU A 15 1.718 -9.737 -22.301 1.00 41.00 C ATOM 177 C LEU A 15 1.408 -10.179 -23.728 1.00 23.24 C ATOM 178 O LEU A 15 0.937 -9.389 -24.546 1.00 45.24 O ATOM 179 CB LEU A 15 3.217 -9.468 -22.152 1.00 55.33 C ATOM 180 CG LEU A 15 3.707 -8.109 -22.653 1.00 2.21 C ATOM 181 CD1 LEU A 15 2.889 -6.985 -22.036 1.00 31.35 C ATOM 182 CD2 LEU A 15 5.186 -7.928 -22.341 1.00 54.31 C ATOM 0 H LEU A 15 1.978 -10.963 -20.619 1.00 61.23 H new ATOM 0 HA LEU A 15 1.168 -8.818 -22.098 1.00 41.00 H new ATOM 0 HB2 LEU A 15 3.480 -9.561 -21.098 1.00 55.33 H new ATOM 0 HB3 LEU A 15 3.761 -10.247 -22.686 1.00 55.33 H new ATOM 0 HG LEU A 15 3.576 -8.073 -23.735 1.00 2.21 H new ATOM 0 HD11 LEU A 15 3.253 -6.026 -22.405 1.00 31.35 H new ATOM 0 HD12 LEU A 15 1.841 -7.105 -22.310 1.00 31.35 H new ATOM 0 HD13 LEU A 15 2.987 -7.017 -20.951 1.00 31.35 H new ATOM 0 HD21 LEU A 15 5.518 -6.956 -22.704 1.00 54.31 H new ATOM 0 HD22 LEU A 15 5.340 -7.985 -21.263 1.00 54.31 H new ATOM 0 HD23 LEU A 15 5.760 -8.714 -22.831 1.00 54.31 H new ATOM 194 N THR A 16 1.674 -11.449 -24.019 1.00 52.11 N ATOM 195 CA THR A 16 1.423 -11.997 -25.346 1.00 32.01 C ATOM 196 C THR A 16 -0.016 -11.746 -25.781 1.00 75.22 C ATOM 197 O THR A 16 -0.265 -11.060 -26.773 1.00 3.44 O ATOM 198 CB THR A 16 1.704 -13.511 -25.391 1.00 2.22 C ATOM 199 OG1 THR A 16 3.088 -13.760 -25.120 1.00 30.14 O ATOM 200 CG2 THR A 16 1.336 -14.090 -26.749 1.00 0.44 C ATOM 0 H THR A 16 2.063 -12.117 -23.353 1.00 52.11 H new ATOM 0 HA THR A 16 2.101 -11.488 -26.031 1.00 32.01 H new ATOM 0 HB THR A 16 1.092 -13.995 -24.630 1.00 2.22 H new ATOM 0 HG1 THR A 16 3.259 -14.725 -25.149 1.00 30.14 H new ATOM 0 HG21 THR A 16 1.543 -15.160 -26.757 1.00 0.44 H new ATOM 0 HG22 THR A 16 0.276 -13.924 -26.940 1.00 0.44 H new ATOM 0 HG23 THR A 16 1.925 -13.601 -27.525 1.00 0.44 H new ATOM 208 N TYR A 17 -0.961 -12.306 -25.034 1.00 55.20 N ATOM 209 CA TYR A 17 -2.377 -12.144 -25.344 1.00 41.22 C ATOM 210 C TYR A 17 -2.789 -10.677 -25.258 1.00 71.45 C ATOM 211 O TYR A 17 -3.642 -10.214 -26.017 1.00 64.24 O ATOM 212 CB TYR A 17 -3.229 -12.981 -24.389 1.00 60.30 C ATOM 213 CG TYR A 17 -4.706 -12.669 -24.463 1.00 55.15 C ATOM 214 CD1 TYR A 17 -5.478 -13.116 -25.529 1.00 71.21 C ATOM 215 CD2 TYR A 17 -5.331 -11.926 -23.469 1.00 43.02 C ATOM 216 CE1 TYR A 17 -6.828 -12.833 -25.602 1.00 12.32 C ATOM 217 CE2 TYR A 17 -6.680 -11.639 -23.533 1.00 35.00 C ATOM 218 CZ TYR A 17 -7.425 -12.094 -24.601 1.00 61.32 C ATOM 219 OH TYR A 17 -8.769 -11.809 -24.669 1.00 74.40 O ATOM 0 H TYR A 17 -0.772 -12.876 -24.210 1.00 55.20 H new ATOM 0 HA TYR A 17 -2.541 -12.490 -26.365 1.00 41.22 H new ATOM 0 HB2 TYR A 17 -3.078 -14.037 -24.612 1.00 60.30 H new ATOM 0 HB3 TYR A 17 -2.883 -12.818 -23.369 1.00 60.30 H new ATOM 0 HD1 TYR A 17 -5.014 -13.695 -26.314 1.00 71.21 H new ATOM 0 HD2 TYR A 17 -4.751 -11.567 -22.632 1.00 43.02 H new ATOM 0 HE1 TYR A 17 -7.413 -13.188 -26.438 1.00 12.32 H new ATOM 0 HE2 TYR A 17 -7.150 -11.061 -22.751 1.00 35.00 H new ATOM 0 HH TYR A 17 -9.032 -11.282 -23.886 1.00 74.40 H new ATOM 229 N LEU A 18 -2.178 -9.951 -24.329 1.00 65.32 N ATOM 230 CA LEU A 18 -2.479 -8.536 -24.143 1.00 21.21 C ATOM 231 C LEU A 18 -1.980 -7.713 -25.326 1.00 51.21 C ATOM 232 O LEU A 18 -2.487 -6.624 -25.597 1.00 0.53 O ATOM 233 CB LEU A 18 -1.844 -8.026 -22.848 1.00 53.40 C ATOM 234 CG LEU A 18 -2.464 -8.540 -21.548 1.00 72.34 C ATOM 235 CD1 LEU A 18 -1.791 -7.899 -20.345 1.00 40.41 C ATOM 236 CD2 LEU A 18 -3.962 -8.273 -21.529 1.00 51.34 C ATOM 0 H LEU A 18 -1.471 -10.319 -23.692 1.00 65.32 H new ATOM 0 HA LEU A 18 -3.561 -8.425 -24.078 1.00 21.21 H new ATOM 0 HB2 LEU A 18 -0.788 -8.295 -22.854 1.00 53.40 H new ATOM 0 HB3 LEU A 18 -1.896 -6.937 -22.846 1.00 53.40 H new ATOM 0 HG LEU A 18 -2.307 -9.617 -21.495 1.00 72.34 H new ATOM 0 HD11 LEU A 18 -2.246 -8.277 -19.429 1.00 40.41 H new ATOM 0 HD12 LEU A 18 -0.729 -8.142 -20.350 1.00 40.41 H new ATOM 0 HD13 LEU A 18 -1.916 -6.817 -20.392 1.00 40.41 H new ATOM 0 HD21 LEU A 18 -4.386 -8.645 -20.597 1.00 51.34 H new ATOM 0 HD22 LEU A 18 -4.141 -7.201 -21.606 1.00 51.34 H new ATOM 0 HD23 LEU A 18 -4.433 -8.781 -22.370 1.00 51.34 H new ATOM 248 N THR A 19 -0.984 -8.241 -26.031 1.00 32.44 N ATOM 249 CA THR A 19 -0.417 -7.557 -27.185 1.00 55.45 C ATOM 250 C THR A 19 -1.054 -8.045 -28.481 1.00 71.45 C ATOM 251 O THR A 19 -0.444 -7.979 -29.548 1.00 21.23 O ATOM 252 CB THR A 19 1.107 -7.760 -27.267 1.00 62.30 C ATOM 253 OG1 THR A 19 1.413 -9.159 -27.310 1.00 10.45 O ATOM 254 CG2 THR A 19 1.803 -7.120 -26.076 1.00 2.24 C ATOM 0 H THR A 19 -0.553 -9.142 -25.822 1.00 32.44 H new ATOM 0 HA THR A 19 -0.627 -6.495 -27.057 1.00 55.45 H new ATOM 0 HB THR A 19 1.467 -7.281 -28.178 1.00 62.30 H new ATOM 0 HG1 THR A 19 0.581 -9.674 -27.369 1.00 10.45 H new ATOM 0 HG21 THR A 19 2.879 -7.277 -26.156 1.00 2.24 H new ATOM 0 HG22 THR A 19 1.592 -6.051 -26.063 1.00 2.24 H new ATOM 0 HG23 THR A 19 1.438 -7.573 -25.154 1.00 2.24 H new ATOM 262 N GLY A 20 -2.286 -8.536 -28.382 1.00 61.13 N ATOM 263 CA GLY A 20 -2.985 -9.028 -29.555 1.00 21.41 C ATOM 264 C GLY A 20 -2.721 -10.499 -29.812 1.00 55.11 C ATOM 265 O GLY A 20 -3.262 -11.078 -30.754 1.00 25.14 O ATOM 0 H GLY A 20 -2.812 -8.602 -27.511 1.00 61.13 H new ATOM 0 HA2 GLY A 20 -4.056 -8.871 -29.429 1.00 21.41 H new ATOM 0 HA3 GLY A 20 -2.679 -8.449 -30.426 1.00 21.41 H new ATOM 269 N GLY A 21 -1.887 -11.105 -28.973 1.00 44.31 N ATOM 270 CA GLY A 21 -1.565 -12.511 -29.132 1.00 55.05 C ATOM 271 C GLY A 21 -2.703 -13.417 -28.706 1.00 31.42 C ATOM 272 O GLY A 21 -3.746 -12.961 -28.236 1.00 24.43 O ATOM 0 H GLY A 21 -1.428 -10.647 -28.185 1.00 44.31 H new ATOM 0 HA2 GLY A 21 -1.318 -12.709 -30.175 1.00 55.05 H new ATOM 0 HA3 GLY A 21 -0.678 -12.746 -28.544 1.00 55.05 H new ATOM 276 N PRO A 22 -2.509 -14.734 -28.871 1.00 34.31 N ATOM 277 CA PRO A 22 -3.517 -15.734 -28.507 1.00 33.54 C ATOM 278 C PRO A 22 -3.699 -15.851 -26.997 1.00 71.01 C ATOM 279 O PRO A 22 -2.762 -15.634 -26.231 1.00 2.24 O ATOM 280 CB PRO A 22 -2.949 -17.036 -29.079 1.00 1.52 C ATOM 281 CG PRO A 22 -1.477 -16.812 -29.137 1.00 71.53 C ATOM 282 CD PRO A 22 -1.291 -15.348 -29.425 1.00 73.44 C ATOM 0 HA PRO A 22 -4.503 -15.477 -28.893 1.00 33.54 H new ATOM 0 HB2 PRO A 22 -3.195 -17.888 -28.445 1.00 1.52 H new ATOM 0 HB3 PRO A 22 -3.357 -17.246 -30.068 1.00 1.52 H new ATOM 0 HG2 PRO A 22 -1.003 -17.087 -28.195 1.00 71.53 H new ATOM 0 HG3 PRO A 22 -1.020 -17.424 -29.915 1.00 71.53 H new ATOM 0 HD2 PRO A 22 -0.392 -14.956 -28.950 1.00 73.44 H new ATOM 0 HD3 PRO A 22 -1.196 -15.158 -30.494 1.00 73.44 H new ATOM 290 N GLY A 23 -4.912 -16.196 -26.577 1.00 35.15 N ATOM 291 CA GLY A 23 -5.195 -16.336 -25.160 1.00 4.21 C ATOM 292 C GLY A 23 -6.600 -15.894 -24.802 1.00 61.22 C ATOM 293 O GLY A 23 -7.487 -15.825 -25.653 1.00 11.10 O ATOM 0 H GLY A 23 -5.704 -16.381 -27.192 1.00 35.15 H new ATOM 0 HA2 GLY A 23 -5.059 -17.377 -24.867 1.00 4.21 H new ATOM 0 HA3 GLY A 23 -4.476 -15.748 -24.589 1.00 4.21 H new ATOM 297 N PRO A 24 -6.818 -15.588 -23.515 1.00 14.31 N ATOM 298 CA PRO A 24 -5.770 -15.667 -22.493 1.00 71.12 C ATOM 299 C PRO A 24 -5.369 -17.106 -22.184 1.00 54.44 C ATOM 300 O PRO A 24 -6.220 -17.951 -21.905 1.00 3.51 O ATOM 301 CB PRO A 24 -6.419 -15.018 -21.268 1.00 41.01 C ATOM 302 CG PRO A 24 -7.883 -15.204 -21.472 1.00 21.04 C ATOM 303 CD PRO A 24 -8.106 -15.141 -22.957 1.00 41.43 C ATOM 0 HA PRO A 24 -4.850 -15.178 -22.814 1.00 71.12 H new ATOM 0 HB2 PRO A 24 -6.085 -15.492 -20.345 1.00 41.01 H new ATOM 0 HB3 PRO A 24 -6.160 -13.962 -21.196 1.00 41.01 H new ATOM 0 HG2 PRO A 24 -8.215 -16.160 -21.068 1.00 21.04 H new ATOM 0 HG3 PRO A 24 -8.450 -14.427 -20.959 1.00 21.04 H new ATOM 0 HD2 PRO A 24 -8.925 -15.789 -23.268 1.00 41.43 H new ATOM 0 HD3 PRO A 24 -8.357 -14.132 -23.283 1.00 41.43 H new ATOM 311 N SER A 25 -4.069 -17.377 -22.236 1.00 52.03 N ATOM 312 CA SER A 25 -3.556 -18.715 -21.965 1.00 51.32 C ATOM 313 C SER A 25 -3.838 -19.122 -20.522 1.00 62.53 C ATOM 314 O SER A 25 -4.154 -18.295 -19.667 1.00 30.31 O ATOM 315 CB SER A 25 -2.052 -18.772 -22.239 1.00 71.30 C ATOM 316 OG SER A 25 -1.449 -17.505 -22.043 1.00 11.01 O ATOM 0 H SER A 25 -3.352 -16.688 -22.463 1.00 52.03 H new ATOM 0 HA SER A 25 -4.065 -19.415 -22.628 1.00 51.32 H new ATOM 0 HB2 SER A 25 -1.587 -19.505 -21.580 1.00 71.30 H new ATOM 0 HB3 SER A 25 -1.878 -19.107 -23.262 1.00 71.30 H new ATOM 0 HG SER A 25 -0.488 -17.569 -22.223 1.00 11.01 H new ATOM 322 N PRO A 26 -3.721 -20.429 -20.244 1.00 62.40 N ATOM 323 CA PRO A 26 -3.958 -20.978 -18.905 1.00 62.15 C ATOM 324 C PRO A 26 -2.876 -20.569 -17.912 1.00 20.44 C ATOM 325 O PRO A 26 -3.140 -20.426 -16.718 1.00 50.42 O ATOM 326 CB PRO A 26 -3.931 -22.492 -19.133 1.00 1.43 C ATOM 327 CG PRO A 26 -3.094 -22.677 -20.351 1.00 53.14 C ATOM 328 CD PRO A 26 -3.347 -21.472 -21.215 1.00 15.04 C ATOM 0 HA PRO A 26 -4.891 -20.615 -18.474 1.00 62.15 H new ATOM 0 HB2 PRO A 26 -3.504 -23.014 -18.276 1.00 1.43 H new ATOM 0 HB3 PRO A 26 -4.936 -22.888 -19.279 1.00 1.43 H new ATOM 0 HG2 PRO A 26 -2.038 -22.756 -20.091 1.00 53.14 H new ATOM 0 HG3 PRO A 26 -3.363 -23.595 -20.873 1.00 53.14 H new ATOM 0 HD2 PRO A 26 -2.460 -21.192 -21.784 1.00 15.04 H new ATOM 0 HD3 PRO A 26 -4.144 -21.654 -21.936 1.00 15.04 H new ATOM 336 N GLN A 27 -1.659 -20.384 -18.412 1.00 3.31 N ATOM 337 CA GLN A 27 -0.537 -19.992 -17.566 1.00 54.44 C ATOM 338 C GLN A 27 -0.608 -18.507 -17.222 1.00 60.43 C ATOM 339 O GLN A 27 -0.139 -18.081 -16.166 1.00 71.15 O ATOM 340 CB GLN A 27 0.788 -20.303 -18.264 1.00 31.23 C ATOM 341 CG GLN A 27 0.931 -21.759 -18.675 1.00 60.55 C ATOM 342 CD GLN A 27 2.206 -22.024 -19.451 1.00 44.02 C ATOM 343 OE1 GLN A 27 3.184 -22.536 -18.905 1.00 1.11 O ATOM 344 NE2 GLN A 27 2.203 -21.676 -20.733 1.00 2.24 N ATOM 0 H GLN A 27 -1.424 -20.499 -19.398 1.00 3.31 H new ATOM 0 HA GLN A 27 -0.595 -20.564 -16.640 1.00 54.44 H new ATOM 0 HB2 GLN A 27 0.879 -19.673 -19.149 1.00 31.23 H new ATOM 0 HB3 GLN A 27 1.610 -20.039 -17.599 1.00 31.23 H new ATOM 0 HG2 GLN A 27 0.915 -22.387 -17.784 1.00 60.55 H new ATOM 0 HG3 GLN A 27 0.074 -22.047 -19.283 1.00 60.55 H new ATOM 0 HE21 GLN A 27 1.371 -21.254 -21.145 1.00 2.24 H new ATOM 0 HE22 GLN A 27 3.033 -21.830 -21.305 1.00 2.24 H new ATOM 353 N CYS A 28 -1.196 -17.724 -18.120 1.00 74.32 N ATOM 354 CA CYS A 28 -1.328 -16.287 -17.913 1.00 60.31 C ATOM 355 C CYS A 28 -2.350 -15.987 -16.821 1.00 13.52 C ATOM 356 O CYS A 28 -2.069 -15.244 -15.879 1.00 72.42 O ATOM 357 CB CYS A 28 -1.740 -15.599 -19.216 1.00 2.32 C ATOM 358 SG CYS A 28 -2.741 -14.095 -18.978 1.00 61.50 S ATOM 0 H CYS A 28 -1.589 -18.061 -18.999 1.00 74.32 H new ATOM 0 HA CYS A 28 -0.360 -15.900 -17.596 1.00 60.31 H new ATOM 0 HB2 CYS A 28 -0.842 -15.340 -19.777 1.00 2.32 H new ATOM 0 HB3 CYS A 28 -2.304 -16.305 -19.825 1.00 2.32 H new ATOM 363 N CYS A 29 -3.538 -16.568 -16.953 1.00 63.22 N ATOM 364 CA CYS A 29 -4.603 -16.364 -15.979 1.00 42.41 C ATOM 365 C CYS A 29 -4.097 -16.608 -14.560 1.00 43.33 C ATOM 366 O CYS A 29 -4.508 -15.932 -13.618 1.00 43.43 O ATOM 367 CB CYS A 29 -5.782 -17.292 -16.279 1.00 4.24 C ATOM 368 SG CYS A 29 -6.946 -16.639 -17.518 1.00 12.53 S ATOM 0 H CYS A 29 -3.787 -17.185 -17.726 1.00 63.22 H new ATOM 0 HA CYS A 29 -4.936 -15.329 -16.054 1.00 42.41 H new ATOM 0 HB2 CYS A 29 -5.397 -18.250 -16.628 1.00 4.24 H new ATOM 0 HB3 CYS A 29 -6.324 -17.484 -15.353 1.00 4.24 H new ATOM 373 N GLY A 30 -3.201 -17.580 -14.416 1.00 41.24 N ATOM 374 CA GLY A 30 -2.653 -17.896 -13.110 1.00 70.24 C ATOM 375 C GLY A 30 -2.052 -16.685 -12.425 1.00 34.13 C ATOM 376 O GLY A 30 -2.232 -16.490 -11.223 1.00 71.53 O ATOM 0 H GLY A 30 -2.845 -18.154 -15.180 1.00 41.24 H new ATOM 0 HA2 GLY A 30 -3.439 -18.313 -12.481 1.00 70.24 H new ATOM 0 HA3 GLY A 30 -1.889 -18.666 -13.217 1.00 70.24 H new ATOM 380 N GLY A 31 -1.334 -15.869 -13.190 1.00 54.33 N ATOM 381 CA GLY A 31 -0.714 -14.682 -12.631 1.00 55.43 C ATOM 382 C GLY A 31 -1.714 -13.570 -12.378 1.00 23.31 C ATOM 383 O GLY A 31 -1.647 -12.886 -11.357 1.00 4.03 O ATOM 0 H GLY A 31 -1.171 -16.009 -14.187 1.00 54.33 H new ATOM 0 HA2 GLY A 31 -0.219 -14.941 -11.695 1.00 55.43 H new ATOM 0 HA3 GLY A 31 0.058 -14.324 -13.312 1.00 55.43 H new ATOM 387 N VAL A 32 -2.643 -13.388 -13.311 1.00 32.24 N ATOM 388 CA VAL A 32 -3.661 -12.352 -13.184 1.00 4.51 C ATOM 389 C VAL A 32 -4.358 -12.429 -11.831 1.00 15.13 C ATOM 390 O VAL A 32 -4.552 -11.415 -11.160 1.00 42.42 O ATOM 391 CB VAL A 32 -4.716 -12.461 -14.300 1.00 62.35 C ATOM 392 CG1 VAL A 32 -5.789 -11.398 -14.127 1.00 54.22 C ATOM 393 CG2 VAL A 32 -4.058 -12.349 -15.668 1.00 11.15 C ATOM 0 H VAL A 32 -2.712 -13.945 -14.163 1.00 32.24 H new ATOM 0 HA VAL A 32 -3.149 -11.394 -13.271 1.00 4.51 H new ATOM 0 HB VAL A 32 -5.193 -13.439 -14.230 1.00 62.35 H new ATOM 0 HG11 VAL A 32 -6.525 -11.491 -14.925 1.00 54.22 H new ATOM 0 HG12 VAL A 32 -6.280 -11.530 -13.163 1.00 54.22 H new ATOM 0 HG13 VAL A 32 -5.332 -10.409 -14.169 1.00 54.22 H new ATOM 0 HG21 VAL A 32 -4.818 -12.428 -16.445 1.00 11.15 H new ATOM 0 HG22 VAL A 32 -3.553 -11.387 -15.751 1.00 11.15 H new ATOM 0 HG23 VAL A 32 -3.331 -13.152 -15.789 1.00 11.15 H new ATOM 403 N LYS A 33 -4.735 -13.640 -11.434 1.00 2.23 N ATOM 404 CA LYS A 33 -5.410 -13.852 -10.159 1.00 72.11 C ATOM 405 C LYS A 33 -4.504 -13.471 -8.993 1.00 1.20 C ATOM 406 O LYS A 33 -4.946 -12.846 -8.028 1.00 64.51 O ATOM 407 CB LYS A 33 -5.844 -15.314 -10.025 1.00 44.33 C ATOM 408 CG LYS A 33 -6.820 -15.759 -11.100 1.00 62.52 C ATOM 409 CD LYS A 33 -6.507 -17.164 -11.590 1.00 13.43 C ATOM 410 CE LYS A 33 -7.724 -18.071 -11.493 1.00 21.30 C ATOM 411 NZ LYS A 33 -7.911 -18.882 -12.728 1.00 63.00 N ATOM 0 H LYS A 33 -4.584 -14.490 -11.977 1.00 2.23 H new ATOM 0 HA LYS A 33 -6.293 -13.213 -10.134 1.00 72.11 H new ATOM 0 HB2 LYS A 33 -4.961 -15.951 -10.062 1.00 44.33 H new ATOM 0 HB3 LYS A 33 -6.302 -15.460 -9.047 1.00 44.33 H new ATOM 0 HG2 LYS A 33 -7.836 -15.728 -10.706 1.00 62.52 H new ATOM 0 HG3 LYS A 33 -6.782 -15.063 -11.938 1.00 62.52 H new ATOM 0 HD2 LYS A 33 -6.164 -17.122 -12.624 1.00 13.43 H new ATOM 0 HD3 LYS A 33 -5.691 -17.583 -11.001 1.00 13.43 H new ATOM 0 HE2 LYS A 33 -7.615 -18.735 -10.636 1.00 21.30 H new ATOM 0 HE3 LYS A 33 -8.614 -17.467 -11.317 1.00 21.30 H new ATOM 0 HZ1 LYS A 33 -8.750 -19.487 -12.622 1.00 63.00 H new ATOM 0 HZ2 LYS A 33 -8.041 -18.249 -13.543 1.00 63.00 H new ATOM 0 HZ3 LYS A 33 -7.073 -19.478 -12.883 1.00 63.00 H new ATOM 425 N LYS A 34 -3.234 -13.849 -9.089 1.00 2.14 N ATOM 426 CA LYS A 34 -2.264 -13.545 -8.043 1.00 44.45 C ATOM 427 C LYS A 34 -2.068 -12.038 -7.904 1.00 72.24 C ATOM 428 O LYS A 34 -1.945 -11.518 -6.795 1.00 4.22 O ATOM 429 CB LYS A 34 -0.924 -14.217 -8.351 1.00 62.12 C ATOM 430 CG LYS A 34 0.157 -13.916 -7.328 1.00 21.15 C ATOM 431 CD LYS A 34 1.101 -15.094 -7.150 1.00 54.11 C ATOM 432 CE LYS A 34 2.150 -14.812 -6.086 1.00 32.24 C ATOM 433 NZ LYS A 34 1.675 -15.188 -4.725 1.00 73.43 N ATOM 0 H LYS A 34 -2.852 -14.367 -9.881 1.00 2.14 H new ATOM 0 HA LYS A 34 -2.650 -13.932 -7.100 1.00 44.45 H new ATOM 0 HB2 LYS A 34 -1.072 -15.296 -8.404 1.00 62.12 H new ATOM 0 HB3 LYS A 34 -0.582 -13.893 -9.334 1.00 62.12 H new ATOM 0 HG2 LYS A 34 0.723 -13.039 -7.643 1.00 21.15 H new ATOM 0 HG3 LYS A 34 -0.304 -13.671 -6.371 1.00 21.15 H new ATOM 0 HD2 LYS A 34 0.530 -15.980 -6.874 1.00 54.11 H new ATOM 0 HD3 LYS A 34 1.593 -15.314 -8.098 1.00 54.11 H new ATOM 0 HE2 LYS A 34 3.060 -15.364 -6.318 1.00 32.24 H new ATOM 0 HE3 LYS A 34 2.407 -13.753 -6.101 1.00 32.24 H new ATOM 0 HZ1 LYS A 34 2.419 -14.980 -4.028 1.00 73.43 H new ATOM 0 HZ2 LYS A 34 0.821 -14.643 -4.493 1.00 73.43 H new ATOM 0 HZ3 LYS A 34 1.454 -16.204 -4.703 1.00 73.43 H new ATOM 447 N LEU A 35 -2.043 -11.343 -9.036 1.00 3.32 N ATOM 448 CA LEU A 35 -1.864 -9.895 -9.040 1.00 51.10 C ATOM 449 C LEU A 35 -3.067 -9.196 -8.415 1.00 0.14 C ATOM 450 O LEU A 35 -2.919 -8.373 -7.510 1.00 53.44 O ATOM 451 CB LEU A 35 -1.653 -9.391 -10.469 1.00 74.41 C ATOM 452 CG LEU A 35 -1.790 -7.883 -10.676 1.00 40.51 C ATOM 453 CD1 LEU A 35 -0.918 -7.127 -9.686 1.00 0.25 C ATOM 454 CD2 LEU A 35 -1.427 -7.505 -12.105 1.00 32.30 C ATOM 0 H LEU A 35 -2.144 -11.758 -9.962 1.00 3.32 H new ATOM 0 HA LEU A 35 -0.981 -9.661 -8.445 1.00 51.10 H new ATOM 0 HB2 LEU A 35 -0.658 -9.693 -10.796 1.00 74.41 H new ATOM 0 HB3 LEU A 35 -2.369 -9.893 -11.119 1.00 74.41 H new ATOM 0 HG LEU A 35 -2.829 -7.605 -10.500 1.00 40.51 H new ATOM 0 HD11 LEU A 35 -1.029 -6.055 -9.849 1.00 0.25 H new ATOM 0 HD12 LEU A 35 -1.224 -7.373 -8.669 1.00 0.25 H new ATOM 0 HD13 LEU A 35 0.125 -7.410 -9.830 1.00 0.25 H new ATOM 0 HD21 LEU A 35 -1.530 -6.428 -12.234 1.00 32.30 H new ATOM 0 HD22 LEU A 35 -0.397 -7.798 -12.308 1.00 32.30 H new ATOM 0 HD23 LEU A 35 -2.093 -8.019 -12.798 1.00 32.30 H new ATOM 466 N LEU A 36 -4.257 -9.531 -8.900 1.00 53.41 N ATOM 467 CA LEU A 36 -5.487 -8.937 -8.387 1.00 52.03 C ATOM 468 C LEU A 36 -5.721 -9.339 -6.935 1.00 12.45 C ATOM 469 O LEU A 36 -6.255 -8.562 -6.144 1.00 13.43 O ATOM 470 CB LEU A 36 -6.679 -9.365 -9.245 1.00 15.41 C ATOM 471 CG LEU A 36 -6.712 -8.814 -10.671 1.00 52.01 C ATOM 472 CD1 LEU A 36 -7.763 -9.538 -11.499 1.00 24.02 C ATOM 473 CD2 LEU A 36 -6.980 -7.316 -10.658 1.00 60.04 C ATOM 0 H LEU A 36 -4.397 -10.211 -9.648 1.00 53.41 H new ATOM 0 HA LEU A 36 -5.385 -7.853 -8.432 1.00 52.03 H new ATOM 0 HB2 LEU A 36 -6.691 -10.454 -9.297 1.00 15.41 H new ATOM 0 HB3 LEU A 36 -7.594 -9.060 -8.738 1.00 15.41 H new ATOM 0 HG LEU A 36 -5.737 -8.985 -11.128 1.00 52.01 H new ATOM 0 HD11 LEU A 36 -7.772 -9.132 -12.511 1.00 24.02 H new ATOM 0 HD12 LEU A 36 -7.527 -10.602 -11.536 1.00 24.02 H new ATOM 0 HD13 LEU A 36 -8.744 -9.399 -11.044 1.00 24.02 H new ATOM 0 HD21 LEU A 36 -7.000 -6.941 -11.681 1.00 60.04 H new ATOM 0 HD22 LEU A 36 -7.941 -7.122 -10.182 1.00 60.04 H new ATOM 0 HD23 LEU A 36 -6.191 -6.810 -10.102 1.00 60.04 H new ATOM 485 N ALA A 37 -5.316 -10.557 -6.590 1.00 42.51 N ATOM 486 CA ALA A 37 -5.477 -11.060 -5.232 1.00 14.34 C ATOM 487 C ALA A 37 -4.644 -10.250 -4.244 1.00 33.23 C ATOM 488 O ALA A 37 -4.969 -10.176 -3.059 1.00 4.41 O ATOM 489 CB ALA A 37 -5.096 -12.531 -5.165 1.00 72.21 C ATOM 0 H ALA A 37 -4.874 -11.214 -7.233 1.00 42.51 H new ATOM 0 HA ALA A 37 -6.526 -10.955 -4.954 1.00 14.34 H new ATOM 0 HB1 ALA A 37 -5.221 -12.893 -4.145 1.00 72.21 H new ATOM 0 HB2 ALA A 37 -5.737 -13.104 -5.835 1.00 72.21 H new ATOM 0 HB3 ALA A 37 -4.056 -12.652 -5.468 1.00 72.21 H new ATOM 495 N ALA A 38 -3.569 -9.646 -4.739 1.00 72.10 N ATOM 496 CA ALA A 38 -2.690 -8.841 -3.900 1.00 35.14 C ATOM 497 C ALA A 38 -3.242 -7.431 -3.722 1.00 11.35 C ATOM 498 O ALA A 38 -3.166 -6.857 -2.636 1.00 3.24 O ATOM 499 CB ALA A 38 -1.291 -8.791 -4.495 1.00 73.54 C ATOM 0 H ALA A 38 -3.286 -9.699 -5.717 1.00 72.10 H new ATOM 0 HA ALA A 38 -2.638 -9.310 -2.917 1.00 35.14 H new ATOM 0 HB1 ALA A 38 -0.646 -8.186 -3.858 1.00 73.54 H new ATOM 0 HB2 ALA A 38 -0.889 -9.802 -4.564 1.00 73.54 H new ATOM 0 HB3 ALA A 38 -1.335 -8.349 -5.490 1.00 73.54 H new ATOM 505 N ALA A 39 -3.797 -6.877 -4.795 1.00 21.40 N ATOM 506 CA ALA A 39 -4.362 -5.534 -4.756 1.00 73.53 C ATOM 507 C ALA A 39 -5.703 -5.524 -4.029 1.00 43.12 C ATOM 508 O ALA A 39 -6.753 -5.355 -4.647 1.00 31.30 O ATOM 509 CB ALA A 39 -4.521 -4.988 -6.167 1.00 43.33 C ATOM 0 H ALA A 39 -3.867 -7.338 -5.702 1.00 21.40 H new ATOM 0 HA ALA A 39 -3.674 -4.893 -4.205 1.00 73.53 H new ATOM 0 HB1 ALA A 39 -4.944 -3.984 -6.123 1.00 43.33 H new ATOM 0 HB2 ALA A 39 -3.547 -4.950 -6.654 1.00 43.33 H new ATOM 0 HB3 ALA A 39 -5.186 -5.638 -6.736 1.00 43.33 H new ATOM 515 N ASN A 40 -5.658 -5.706 -2.713 1.00 54.14 N ATOM 516 CA ASN A 40 -6.870 -5.719 -1.902 1.00 54.53 C ATOM 517 C ASN A 40 -7.054 -4.388 -1.178 1.00 75.25 C ATOM 518 O ASN A 40 -8.130 -4.098 -0.653 1.00 4.52 O ATOM 519 CB ASN A 40 -6.817 -6.862 -0.887 1.00 14.54 C ATOM 520 CG ASN A 40 -8.091 -6.968 -0.070 1.00 25.54 C ATOM 521 OD1 ASN A 40 -9.194 -6.966 -0.616 1.00 22.12 O ATOM 522 ND2 ASN A 40 -7.942 -7.063 1.247 1.00 55.33 N ATOM 0 H ASN A 40 -4.796 -5.846 -2.186 1.00 54.14 H new ATOM 0 HA ASN A 40 -7.721 -5.872 -2.566 1.00 54.53 H new ATOM 0 HB2 ASN A 40 -6.645 -7.802 -1.411 1.00 14.54 H new ATOM 0 HB3 ASN A 40 -5.970 -6.711 -0.217 1.00 14.54 H new ATOM 0 HD21 ASN A 40 -8.762 -7.138 1.849 1.00 55.33 H new ATOM 0 HD22 ASN A 40 -7.008 -7.061 1.656 1.00 55.33 H new ATOM 529 N THR A 41 -5.998 -3.582 -1.155 1.00 44.14 N ATOM 530 CA THR A 41 -6.041 -2.283 -0.496 1.00 55.13 C ATOM 531 C THR A 41 -6.136 -1.153 -1.515 1.00 1.53 C ATOM 532 O THR A 41 -6.023 -1.377 -2.720 1.00 62.23 O ATOM 533 CB THR A 41 -4.800 -2.059 0.388 1.00 33.41 C ATOM 534 OG1 THR A 41 -3.736 -2.918 -0.036 1.00 4.02 O ATOM 535 CG2 THR A 41 -5.123 -2.327 1.851 1.00 64.15 C ATOM 0 H THR A 41 -5.101 -3.806 -1.586 1.00 44.14 H new ATOM 0 HA THR A 41 -6.931 -2.278 0.133 1.00 55.13 H new ATOM 0 HB THR A 41 -4.490 -1.019 0.285 1.00 33.41 H new ATOM 0 HG1 THR A 41 -3.083 -3.013 0.689 1.00 4.02 H new ATOM 0 HG21 THR A 41 -4.232 -2.162 2.456 1.00 64.15 H new ATOM 0 HG22 THR A 41 -5.914 -1.652 2.179 1.00 64.15 H new ATOM 0 HG23 THR A 41 -5.455 -3.359 1.967 1.00 64.15 H new ATOM 543 N THR A 42 -6.343 0.065 -1.023 1.00 54.20 N ATOM 544 CA THR A 42 -6.453 1.231 -1.890 1.00 54.24 C ATOM 545 C THR A 42 -5.113 1.566 -2.534 1.00 42.11 C ATOM 546 O THR A 42 -4.992 1.670 -3.755 1.00 3.01 O ATOM 547 CB THR A 42 -6.960 2.462 -1.115 1.00 43.23 C ATOM 548 OG1 THR A 42 -8.389 2.436 -1.033 1.00 20.51 O ATOM 549 CG2 THR A 42 -6.509 3.749 -1.790 1.00 15.20 C ATOM 0 H THR A 42 -6.438 0.269 -0.028 1.00 54.20 H new ATOM 0 HA THR A 42 -7.174 0.979 -2.668 1.00 54.24 H new ATOM 0 HB THR A 42 -6.539 2.430 -0.110 1.00 43.23 H new ATOM 0 HG1 THR A 42 -8.703 3.221 -0.537 1.00 20.51 H new ATOM 0 HG21 THR A 42 -6.879 4.605 -1.225 1.00 15.20 H new ATOM 0 HG22 THR A 42 -5.420 3.780 -1.824 1.00 15.20 H new ATOM 0 HG23 THR A 42 -6.905 3.786 -2.805 1.00 15.20 H new ATOM 557 N PRO A 43 -4.080 1.739 -1.696 1.00 61.21 N ATOM 558 CA PRO A 43 -2.728 2.063 -2.162 1.00 13.41 C ATOM 559 C PRO A 43 -2.070 0.896 -2.889 1.00 42.11 C ATOM 560 O PRO A 43 -1.023 1.055 -3.517 1.00 61.31 O ATOM 561 CB PRO A 43 -1.974 2.382 -0.868 1.00 72.53 C ATOM 562 CG PRO A 43 -2.708 1.635 0.191 1.00 30.44 C ATOM 563 CD PRO A 43 -4.152 1.630 -0.229 1.00 43.13 C ATOM 0 HA PRO A 43 -2.730 2.881 -2.883 1.00 13.41 H new ATOM 0 HB2 PRO A 43 -0.933 2.064 -0.928 1.00 72.53 H new ATOM 0 HB3 PRO A 43 -1.969 3.453 -0.666 1.00 72.53 H new ATOM 0 HG2 PRO A 43 -2.326 0.619 0.287 1.00 30.44 H new ATOM 0 HG3 PRO A 43 -2.586 2.114 1.162 1.00 30.44 H new ATOM 0 HD2 PRO A 43 -4.658 0.716 0.082 1.00 43.13 H new ATOM 0 HD3 PRO A 43 -4.701 2.463 0.210 1.00 43.13 H new ATOM 571 N ASP A 44 -2.690 -0.276 -2.800 1.00 43.53 N ATOM 572 CA ASP A 44 -2.164 -1.470 -3.451 1.00 52.25 C ATOM 573 C ASP A 44 -2.675 -1.576 -4.885 1.00 62.40 C ATOM 574 O ASP A 44 -1.958 -2.028 -5.778 1.00 22.52 O ATOM 575 CB ASP A 44 -2.556 -2.721 -2.663 1.00 42.42 C ATOM 576 CG ASP A 44 -1.574 -3.035 -1.552 1.00 30.43 C ATOM 577 OD1 ASP A 44 -0.902 -2.099 -1.070 1.00 14.11 O ATOM 578 OD2 ASP A 44 -1.478 -4.218 -1.163 1.00 21.01 O ATOM 0 H ASP A 44 -3.557 -0.424 -2.284 1.00 43.53 H new ATOM 0 HA ASP A 44 -1.077 -1.392 -3.476 1.00 52.25 H new ATOM 0 HB2 ASP A 44 -3.550 -2.582 -2.237 1.00 42.42 H new ATOM 0 HB3 ASP A 44 -2.616 -3.571 -3.342 1.00 42.42 H new ATOM 583 N ARG A 45 -3.918 -1.158 -5.097 1.00 73.15 N ATOM 584 CA ARG A 45 -4.526 -1.209 -6.422 1.00 4.31 C ATOM 585 C ARG A 45 -3.986 -0.091 -7.310 1.00 74.43 C ATOM 586 O ARG A 45 -3.670 -0.313 -8.479 1.00 32.33 O ATOM 587 CB ARG A 45 -6.048 -1.099 -6.313 1.00 5.30 C ATOM 588 CG ARG A 45 -6.674 -2.166 -5.430 1.00 63.03 C ATOM 589 CD ARG A 45 -7.595 -3.077 -6.226 1.00 63.44 C ATOM 590 NE ARG A 45 -8.593 -2.323 -6.980 1.00 61.52 N ATOM 591 CZ ARG A 45 -9.714 -1.851 -6.447 1.00 72.40 C ATOM 592 NH1 ARG A 45 -9.978 -2.054 -5.164 1.00 15.13 N ATOM 593 NH2 ARG A 45 -10.574 -1.174 -7.198 1.00 24.50 N ATOM 0 H ARG A 45 -4.524 -0.780 -4.369 1.00 73.15 H new ATOM 0 HA ARG A 45 -4.270 -2.166 -6.876 1.00 4.31 H new ATOM 0 HB2 ARG A 45 -6.305 -0.116 -5.919 1.00 5.30 H new ATOM 0 HB3 ARG A 45 -6.481 -1.165 -7.311 1.00 5.30 H new ATOM 0 HG2 ARG A 45 -5.889 -2.760 -4.962 1.00 63.03 H new ATOM 0 HG3 ARG A 45 -7.236 -1.691 -4.626 1.00 63.03 H new ATOM 0 HD2 ARG A 45 -7.002 -3.681 -6.913 1.00 63.44 H new ATOM 0 HD3 ARG A 45 -8.098 -3.766 -5.548 1.00 63.44 H new ATOM 0 HE ARG A 45 -8.419 -2.149 -7.970 1.00 61.52 H new ATOM 0 HH11 ARG A 45 -9.319 -2.574 -4.584 1.00 15.13 H new ATOM 0 HH12 ARG A 45 -10.840 -1.690 -4.757 1.00 15.13 H new ATOM 0 HH21 ARG A 45 -10.374 -1.016 -8.186 1.00 24.50 H new ATOM 0 HH22 ARG A 45 -11.435 -0.812 -6.787 1.00 24.50 H new ATOM 607 N GLN A 46 -3.886 1.108 -6.748 1.00 5.44 N ATOM 608 CA GLN A 46 -3.386 2.260 -7.490 1.00 20.05 C ATOM 609 C GLN A 46 -1.988 1.990 -8.037 1.00 53.20 C ATOM 610 O GLN A 46 -1.733 2.168 -9.228 1.00 24.15 O ATOM 611 CB GLN A 46 -3.365 3.500 -6.594 1.00 53.23 C ATOM 612 CG GLN A 46 -4.738 3.901 -6.078 1.00 22.53 C ATOM 613 CD GLN A 46 -4.723 5.232 -5.353 1.00 51.12 C ATOM 614 OE1 GLN A 46 -5.651 6.032 -5.481 1.00 64.22 O ATOM 615 NE2 GLN A 46 -3.667 5.477 -4.586 1.00 53.42 N ATOM 0 H GLN A 46 -4.144 1.308 -5.782 1.00 5.44 H new ATOM 0 HA GLN A 46 -4.057 2.439 -8.330 1.00 20.05 H new ATOM 0 HB2 GLN A 46 -2.707 3.314 -5.745 1.00 53.23 H new ATOM 0 HB3 GLN A 46 -2.938 4.334 -7.151 1.00 53.23 H new ATOM 0 HG2 GLN A 46 -5.435 3.955 -6.915 1.00 22.53 H new ATOM 0 HG3 GLN A 46 -5.108 3.129 -5.404 1.00 22.53 H new ATOM 0 HE21 GLN A 46 -2.921 4.786 -4.509 1.00 53.42 H new ATOM 0 HE22 GLN A 46 -3.602 6.357 -4.074 1.00 53.42 H new ATOM 624 N ALA A 47 -1.087 1.561 -7.160 1.00 33.53 N ATOM 625 CA ALA A 47 0.284 1.265 -7.556 1.00 30.33 C ATOM 626 C ALA A 47 0.322 0.218 -8.664 1.00 53.21 C ATOM 627 O ALA A 47 0.801 0.484 -9.766 1.00 10.41 O ATOM 628 CB ALA A 47 1.090 0.793 -6.354 1.00 42.45 C ATOM 0 H ALA A 47 -1.282 1.411 -6.170 1.00 33.53 H new ATOM 0 HA ALA A 47 0.730 2.181 -7.943 1.00 30.33 H new ATOM 0 HB1 ALA A 47 2.112 0.575 -6.664 1.00 42.45 H new ATOM 0 HB2 ALA A 47 1.100 1.574 -5.593 1.00 42.45 H new ATOM 0 HB3 ALA A 47 0.636 -0.109 -5.943 1.00 42.45 H new ATOM 634 N ALA A 48 -0.186 -0.973 -8.365 1.00 11.24 N ATOM 635 CA ALA A 48 -0.211 -2.059 -9.336 1.00 54.25 C ATOM 636 C ALA A 48 -0.718 -1.573 -10.690 1.00 14.40 C ATOM 637 O ALA A 48 -0.126 -1.866 -11.729 1.00 24.34 O ATOM 638 CB ALA A 48 -1.075 -3.203 -8.827 1.00 55.11 C ATOM 0 H ALA A 48 -0.586 -1.210 -7.457 1.00 11.24 H new ATOM 0 HA ALA A 48 0.809 -2.419 -9.467 1.00 54.25 H new ATOM 0 HB1 ALA A 48 -1.084 -4.007 -9.563 1.00 55.11 H new ATOM 0 HB2 ALA A 48 -0.668 -3.576 -7.887 1.00 55.11 H new ATOM 0 HB3 ALA A 48 -2.092 -2.847 -8.666 1.00 55.11 H new ATOM 644 N CYS A 49 -1.819 -0.828 -10.672 1.00 22.03 N ATOM 645 CA CYS A 49 -2.407 -0.302 -11.897 1.00 50.43 C ATOM 646 C CYS A 49 -1.457 0.679 -12.579 1.00 61.43 C ATOM 647 O CYS A 49 -1.004 0.443 -13.698 1.00 64.33 O ATOM 648 CB CYS A 49 -3.738 0.389 -11.593 1.00 40.04 C ATOM 649 SG CYS A 49 -4.858 0.508 -13.025 1.00 60.12 S ATOM 0 H CYS A 49 -2.322 -0.575 -9.821 1.00 22.03 H new ATOM 0 HA CYS A 49 -2.585 -1.138 -12.573 1.00 50.43 H new ATOM 0 HB2 CYS A 49 -4.243 -0.154 -10.794 1.00 40.04 H new ATOM 0 HB3 CYS A 49 -3.537 1.393 -11.218 1.00 40.04 H new ATOM 654 N ASN A 50 -1.160 1.779 -11.896 1.00 0.13 N ATOM 655 CA ASN A 50 -0.264 2.796 -12.435 1.00 71.41 C ATOM 656 C ASN A 50 1.002 2.160 -13.001 1.00 70.22 C ATOM 657 O ASN A 50 1.493 2.561 -14.057 1.00 32.10 O ATOM 658 CB ASN A 50 0.103 3.810 -11.350 1.00 34.22 C ATOM 659 CG ASN A 50 -1.120 4.446 -10.717 1.00 4.34 C ATOM 660 OD1 ASN A 50 -1.007 4.804 -9.443 1.00 53.25 O flip ATOM 661 ND2 ASN A 50 -2.152 4.614 -11.365 1.00 12.32 N flip ATOM 0 H ASN A 50 -1.527 1.989 -10.968 1.00 0.13 H new ATOM 0 HA ASN A 50 -0.784 3.311 -13.243 1.00 71.41 H new ATOM 0 HB2 ASN A 50 0.693 3.315 -10.578 1.00 34.22 H new ATOM 0 HB3 ASN A 50 0.732 4.589 -11.782 1.00 34.22 H new ATOM 0 HD21 ASN A 50 -2.194 4.323 -12.342 1.00 12.32 H new ATOM 0 HD22 ASN A 50 -2.966 5.044 -10.925 1.00 12.32 H new ATOM 668 N CYS A 51 1.526 1.165 -12.292 1.00 51.45 N ATOM 669 CA CYS A 51 2.734 0.473 -12.723 1.00 24.22 C ATOM 670 C CYS A 51 2.577 -0.064 -14.142 1.00 62.45 C ATOM 671 O CYS A 51 3.435 0.153 -14.999 1.00 42.01 O ATOM 672 CB CYS A 51 3.058 -0.675 -11.764 1.00 44.14 C ATOM 673 SG CYS A 51 3.783 -0.139 -10.181 1.00 34.30 S ATOM 0 H CYS A 51 1.132 0.820 -11.416 1.00 51.45 H new ATOM 0 HA CYS A 51 3.556 1.189 -12.714 1.00 24.22 H new ATOM 0 HB2 CYS A 51 2.145 -1.234 -11.562 1.00 44.14 H new ATOM 0 HB3 CYS A 51 3.749 -1.360 -12.255 1.00 44.14 H new ATOM 678 N LEU A 52 1.476 -0.767 -14.385 1.00 12.55 N ATOM 679 CA LEU A 52 1.205 -1.335 -15.700 1.00 73.23 C ATOM 680 C LEU A 52 0.835 -0.244 -16.700 1.00 4.43 C ATOM 681 O LEU A 52 1.125 -0.354 -17.891 1.00 53.23 O ATOM 682 CB LEU A 52 0.076 -2.363 -15.610 1.00 73.55 C ATOM 683 CG LEU A 52 0.284 -3.503 -14.612 1.00 54.03 C ATOM 684 CD1 LEU A 52 -0.866 -4.496 -14.688 1.00 51.43 C ATOM 685 CD2 LEU A 52 1.611 -4.201 -14.869 1.00 22.12 C ATOM 0 H LEU A 52 0.756 -0.957 -13.688 1.00 12.55 H new ATOM 0 HA LEU A 52 2.112 -1.829 -16.048 1.00 73.23 H new ATOM 0 HB2 LEU A 52 -0.844 -1.841 -15.348 1.00 73.55 H new ATOM 0 HB3 LEU A 52 -0.074 -2.796 -16.599 1.00 73.55 H new ATOM 0 HG LEU A 52 0.307 -3.081 -13.607 1.00 54.03 H new ATOM 0 HD11 LEU A 52 -0.700 -5.300 -13.971 1.00 51.43 H new ATOM 0 HD12 LEU A 52 -1.802 -3.988 -14.454 1.00 51.43 H new ATOM 0 HD13 LEU A 52 -0.921 -4.913 -15.694 1.00 51.43 H new ATOM 0 HD21 LEU A 52 1.742 -5.009 -14.150 1.00 22.12 H new ATOM 0 HD22 LEU A 52 1.617 -4.610 -15.879 1.00 22.12 H new ATOM 0 HD23 LEU A 52 2.426 -3.485 -14.762 1.00 22.12 H new ATOM 697 N LYS A 53 0.196 0.811 -16.206 1.00 42.51 N ATOM 698 CA LYS A 53 -0.210 1.926 -17.054 1.00 32.01 C ATOM 699 C LYS A 53 0.999 2.564 -17.730 1.00 51.13 C ATOM 700 O LYS A 53 0.947 2.922 -18.907 1.00 14.42 O ATOM 701 CB LYS A 53 -0.959 2.975 -16.229 1.00 22.14 C ATOM 702 CG LYS A 53 -2.209 2.438 -15.553 1.00 2.52 C ATOM 703 CD LYS A 53 -3.445 3.220 -15.966 1.00 21.14 C ATOM 704 CE LYS A 53 -4.308 2.427 -16.935 1.00 21.53 C ATOM 705 NZ LYS A 53 -4.879 1.207 -16.299 1.00 24.13 N ATOM 0 H LYS A 53 -0.052 0.917 -15.222 1.00 42.51 H new ATOM 0 HA LYS A 53 -0.874 1.539 -17.827 1.00 32.01 H new ATOM 0 HB2 LYS A 53 -0.288 3.374 -15.469 1.00 22.14 H new ATOM 0 HB3 LYS A 53 -1.235 3.806 -16.878 1.00 22.14 H new ATOM 0 HG2 LYS A 53 -2.340 1.387 -15.810 1.00 2.52 H new ATOM 0 HG3 LYS A 53 -2.089 2.489 -14.471 1.00 2.52 H new ATOM 0 HD2 LYS A 53 -4.029 3.474 -15.081 1.00 21.14 H new ATOM 0 HD3 LYS A 53 -3.144 4.159 -16.430 1.00 21.14 H new ATOM 0 HE2 LYS A 53 -5.118 3.059 -17.301 1.00 21.53 H new ATOM 0 HE3 LYS A 53 -3.712 2.140 -17.801 1.00 21.53 H new ATOM 0 HZ1 LYS A 53 -5.831 1.030 -16.679 1.00 24.13 H new ATOM 0 HZ2 LYS A 53 -4.268 0.391 -16.503 1.00 24.13 H new ATOM 0 HZ3 LYS A 53 -4.938 1.347 -15.270 1.00 24.13 H new ATOM 719 N SER A 54 2.087 2.702 -16.980 1.00 21.24 N ATOM 720 CA SER A 54 3.309 3.299 -17.506 1.00 73.14 C ATOM 721 C SER A 54 4.009 2.344 -18.469 1.00 54.30 C ATOM 722 O SER A 54 4.440 2.742 -19.550 1.00 45.05 O ATOM 723 CB SER A 54 4.254 3.672 -16.363 1.00 31.55 C ATOM 724 OG SER A 54 5.494 4.143 -16.859 1.00 45.21 O ATOM 0 H SER A 54 2.147 2.408 -16.005 1.00 21.24 H new ATOM 0 HA SER A 54 3.036 4.203 -18.051 1.00 73.14 H new ATOM 0 HB2 SER A 54 3.793 4.439 -15.741 1.00 31.55 H new ATOM 0 HB3 SER A 54 4.420 2.803 -15.726 1.00 31.55 H new ATOM 0 HG SER A 54 6.079 4.376 -16.108 1.00 45.21 H new ATOM 730 N ALA A 55 4.117 1.082 -18.067 1.00 14.23 N ATOM 731 CA ALA A 55 4.762 0.070 -18.893 1.00 73.41 C ATOM 732 C ALA A 55 3.953 -0.205 -20.156 1.00 73.32 C ATOM 733 O ALA A 55 4.448 -0.821 -21.100 1.00 15.12 O ATOM 734 CB ALA A 55 4.957 -1.214 -18.099 1.00 52.33 C ATOM 0 H ALA A 55 3.766 0.736 -17.174 1.00 14.23 H new ATOM 0 HA ALA A 55 5.738 0.450 -19.194 1.00 73.41 H new ATOM 0 HB1 ALA A 55 5.440 -1.961 -18.729 1.00 52.33 H new ATOM 0 HB2 ALA A 55 5.583 -1.013 -17.230 1.00 52.33 H new ATOM 0 HB3 ALA A 55 3.988 -1.589 -17.769 1.00 52.33 H new ATOM 740 N ALA A 56 2.706 0.255 -20.166 1.00 71.44 N ATOM 741 CA ALA A 56 1.829 0.059 -21.314 1.00 50.12 C ATOM 742 C ALA A 56 2.000 1.181 -22.333 1.00 32.01 C ATOM 743 O ALA A 56 1.746 0.996 -23.522 1.00 50.54 O ATOM 744 CB ALA A 56 0.379 -0.029 -20.862 1.00 30.24 C ATOM 0 H ALA A 56 2.281 0.766 -19.392 1.00 71.44 H new ATOM 0 HA ALA A 56 2.106 -0.879 -21.795 1.00 50.12 H new ATOM 0 HB1 ALA A 56 -0.264 -0.175 -21.730 1.00 30.24 H new ATOM 0 HB2 ALA A 56 0.262 -0.869 -20.177 1.00 30.24 H new ATOM 0 HB3 ALA A 56 0.099 0.894 -20.355 1.00 30.24 H new ATOM 750 N GLY A 57 2.431 2.345 -21.857 1.00 42.55 N ATOM 751 CA GLY A 57 2.627 3.480 -22.740 1.00 44.34 C ATOM 752 C GLY A 57 3.777 3.271 -23.706 1.00 51.52 C ATOM 753 O GLY A 57 3.819 3.884 -24.773 1.00 60.43 O ATOM 0 H GLY A 57 2.648 2.522 -20.876 1.00 42.55 H new ATOM 0 HA2 GLY A 57 1.712 3.661 -23.303 1.00 44.34 H new ATOM 0 HA3 GLY A 57 2.815 4.372 -22.143 1.00 44.34 H new ATOM 757 N SER A 58 4.713 2.406 -23.331 1.00 62.20 N ATOM 758 CA SER A 58 5.872 2.122 -24.169 1.00 40.05 C ATOM 759 C SER A 58 5.577 0.979 -25.135 1.00 73.53 C ATOM 760 O SER A 58 6.452 0.543 -25.884 1.00 73.32 O ATOM 761 CB SER A 58 7.082 1.772 -23.302 1.00 5.12 C ATOM 762 OG SER A 58 7.655 2.936 -22.731 1.00 54.22 O ATOM 0 H SER A 58 4.692 1.889 -22.452 1.00 62.20 H new ATOM 0 HA SER A 58 6.097 3.017 -24.750 1.00 40.05 H new ATOM 0 HB2 SER A 58 6.780 1.086 -22.511 1.00 5.12 H new ATOM 0 HB3 SER A 58 7.828 1.254 -23.905 1.00 5.12 H new ATOM 0 HG SER A 58 8.426 2.685 -22.180 1.00 54.22 H new ATOM 768 N ILE A 59 4.338 0.498 -25.112 1.00 23.41 N ATOM 769 CA ILE A 59 3.927 -0.594 -25.985 1.00 74.15 C ATOM 770 C ILE A 59 3.046 -0.086 -27.122 1.00 64.34 C ATOM 771 O ILE A 59 2.056 0.609 -26.894 1.00 2.25 O ATOM 772 CB ILE A 59 3.163 -1.681 -25.206 1.00 61.23 C ATOM 773 CG1 ILE A 59 3.800 -1.897 -23.832 1.00 13.42 C ATOM 774 CG2 ILE A 59 3.141 -2.982 -25.996 1.00 1.34 C ATOM 775 CD1 ILE A 59 3.113 -2.963 -23.008 1.00 72.31 C ATOM 0 H ILE A 59 3.602 0.848 -24.498 1.00 23.41 H new ATOM 0 HA ILE A 59 4.838 -1.027 -26.399 1.00 74.15 H new ATOM 0 HB ILE A 59 2.135 -1.349 -25.061 1.00 61.23 H new ATOM 0 HG12 ILE A 59 4.847 -2.170 -23.965 1.00 13.42 H new ATOM 0 HG13 ILE A 59 3.784 -0.957 -23.281 1.00 13.42 H new ATOM 0 HG21 ILE A 59 2.598 -3.741 -25.433 1.00 1.34 H new ATOM 0 HG22 ILE A 59 2.647 -2.818 -26.954 1.00 1.34 H new ATOM 0 HG23 ILE A 59 4.163 -3.320 -26.168 1.00 1.34 H new ATOM 0 HD11 ILE A 59 3.618 -3.062 -22.047 1.00 72.31 H new ATOM 0 HD12 ILE A 59 2.073 -2.682 -22.844 1.00 72.31 H new ATOM 0 HD13 ILE A 59 3.152 -3.915 -23.538 1.00 72.31 H new ATOM 787 N THR A 60 3.413 -0.440 -28.351 1.00 33.04 N ATOM 788 CA THR A 60 2.657 -0.021 -29.524 1.00 73.30 C ATOM 789 C THR A 60 1.694 -1.113 -29.976 1.00 73.11 C ATOM 790 O THR A 60 0.645 -0.830 -30.556 1.00 0.33 O ATOM 791 CB THR A 60 3.591 0.340 -30.694 1.00 54.53 C ATOM 792 OG1 THR A 60 2.876 1.101 -31.674 1.00 52.53 O ATOM 793 CG2 THR A 60 4.163 -0.914 -31.337 1.00 41.34 C ATOM 0 H THR A 60 4.229 -1.016 -28.559 1.00 33.04 H new ATOM 0 HA THR A 60 2.089 0.864 -29.235 1.00 73.30 H new ATOM 0 HB THR A 60 4.415 0.936 -30.302 1.00 54.53 H new ATOM 0 HG1 THR A 60 3.477 1.328 -32.414 1.00 52.53 H new ATOM 0 HG21 THR A 60 4.819 -0.633 -32.161 1.00 41.34 H new ATOM 0 HG22 THR A 60 4.731 -1.476 -30.596 1.00 41.34 H new ATOM 0 HG23 THR A 60 3.349 -1.532 -31.716 1.00 41.34 H new ATOM 801 N LYS A 61 2.055 -2.363 -29.707 1.00 44.01 N ATOM 802 CA LYS A 61 1.223 -3.499 -30.084 1.00 53.12 C ATOM 803 C LYS A 61 0.261 -3.866 -28.959 1.00 12.14 C ATOM 804 O LYS A 61 -0.347 -4.937 -28.972 1.00 73.03 O ATOM 805 CB LYS A 61 2.097 -4.705 -30.435 1.00 44.42 C ATOM 806 CG LYS A 61 2.699 -4.634 -31.828 1.00 23.51 C ATOM 807 CD LYS A 61 3.092 -6.012 -32.336 1.00 2.34 C ATOM 808 CE LYS A 61 4.473 -6.415 -31.842 1.00 2.34 C ATOM 809 NZ LYS A 61 4.749 -7.858 -32.084 1.00 4.15 N ATOM 0 H LYS A 61 2.920 -2.615 -29.228 1.00 44.01 H new ATOM 0 HA LYS A 61 0.639 -3.214 -30.960 1.00 53.12 H new ATOM 0 HB2 LYS A 61 2.902 -4.785 -29.704 1.00 44.42 H new ATOM 0 HB3 LYS A 61 1.499 -5.613 -30.352 1.00 44.42 H new ATOM 0 HG2 LYS A 61 1.981 -4.184 -32.513 1.00 23.51 H new ATOM 0 HG3 LYS A 61 3.576 -3.987 -31.814 1.00 23.51 H new ATOM 0 HD2 LYS A 61 2.357 -6.746 -32.005 1.00 2.34 H new ATOM 0 HD3 LYS A 61 3.079 -6.017 -33.426 1.00 2.34 H new ATOM 0 HE2 LYS A 61 5.229 -5.811 -32.344 1.00 2.34 H new ATOM 0 HE3 LYS A 61 4.553 -6.204 -30.776 1.00 2.34 H new ATOM 0 HZ1 LYS A 61 5.699 -8.093 -31.733 1.00 4.15 H new ATOM 0 HZ2 LYS A 61 4.043 -8.435 -31.584 1.00 4.15 H new ATOM 0 HZ3 LYS A 61 4.698 -8.055 -33.104 1.00 4.15 H new ATOM 823 N LEU A 62 0.126 -2.971 -27.986 1.00 44.23 N ATOM 824 CA LEU A 62 -0.763 -3.200 -26.853 1.00 54.12 C ATOM 825 C LEU A 62 -2.220 -3.238 -27.304 1.00 31.51 C ATOM 826 O LEU A 62 -2.697 -2.324 -27.975 1.00 22.22 O ATOM 827 CB LEU A 62 -0.572 -2.107 -25.800 1.00 53.22 C ATOM 828 CG LEU A 62 -1.530 -2.148 -24.609 1.00 1.32 C ATOM 829 CD1 LEU A 62 -1.189 -3.311 -23.690 1.00 12.52 C ATOM 830 CD2 LEU A 62 -1.488 -0.832 -23.845 1.00 62.04 C ATOM 0 H LEU A 62 0.621 -2.080 -27.959 1.00 44.23 H new ATOM 0 HA LEU A 62 -0.511 -4.166 -26.415 1.00 54.12 H new ATOM 0 HB2 LEU A 62 0.449 -2.169 -25.422 1.00 53.22 H new ATOM 0 HB3 LEU A 62 -0.673 -1.138 -26.289 1.00 53.22 H new ATOM 0 HG LEU A 62 -2.542 -2.294 -24.986 1.00 1.32 H new ATOM 0 HD11 LEU A 62 -1.881 -3.324 -22.848 1.00 12.52 H new ATOM 0 HD12 LEU A 62 -1.271 -4.247 -24.242 1.00 12.52 H new ATOM 0 HD13 LEU A 62 -0.170 -3.196 -23.320 1.00 12.52 H new ATOM 0 HD21 LEU A 62 -2.176 -0.879 -23.001 1.00 62.04 H new ATOM 0 HD22 LEU A 62 -0.476 -0.656 -23.479 1.00 62.04 H new ATOM 0 HD23 LEU A 62 -1.782 -0.017 -24.507 1.00 62.04 H new ATOM 842 N ASN A 63 -2.922 -4.303 -26.928 1.00 54.52 N ATOM 843 CA ASN A 63 -4.326 -4.460 -27.292 1.00 42.55 C ATOM 844 C ASN A 63 -5.232 -4.195 -26.094 1.00 1.31 C ATOM 845 O ASN A 63 -5.560 -5.108 -25.335 1.00 41.40 O ATOM 846 CB ASN A 63 -4.579 -5.867 -27.836 1.00 62.21 C ATOM 847 CG ASN A 63 -3.918 -6.095 -29.182 1.00 2.31 C ATOM 848 OD1 ASN A 63 -2.703 -5.950 -29.322 1.00 33.33 O ATOM 849 ND2 ASN A 63 -4.717 -6.452 -30.180 1.00 60.24 N ATOM 0 H ASN A 63 -2.542 -5.069 -26.372 1.00 54.52 H new ATOM 0 HA ASN A 63 -4.558 -3.731 -28.068 1.00 42.55 H new ATOM 0 HB2 ASN A 63 -4.206 -6.602 -27.122 1.00 62.21 H new ATOM 0 HB3 ASN A 63 -5.653 -6.030 -27.930 1.00 62.21 H new ATOM 0 HD21 ASN A 63 -4.330 -6.618 -31.109 1.00 60.24 H new ATOM 0 HD22 ASN A 63 -5.718 -6.560 -30.018 1.00 60.24 H new ATOM 856 N THR A 64 -5.634 -2.938 -25.929 1.00 73.42 N ATOM 857 CA THR A 64 -6.502 -2.552 -24.823 1.00 62.44 C ATOM 858 C THR A 64 -7.720 -3.464 -24.736 1.00 73.25 C ATOM 859 O THR A 64 -8.269 -3.681 -23.657 1.00 53.31 O ATOM 860 CB THR A 64 -6.975 -1.093 -24.964 1.00 33.42 C ATOM 861 OG1 THR A 64 -7.860 -0.971 -26.083 1.00 42.02 O ATOM 862 CG2 THR A 64 -5.791 -0.155 -25.141 1.00 54.14 C ATOM 0 H THR A 64 -5.372 -2.170 -26.547 1.00 73.42 H new ATOM 0 HA THR A 64 -5.914 -2.649 -23.910 1.00 62.44 H new ATOM 0 HB THR A 64 -7.504 -0.816 -24.052 1.00 33.42 H new ATOM 0 HG1 THR A 64 -8.158 -0.041 -26.165 1.00 42.02 H new ATOM 0 HG21 THR A 64 -6.150 0.870 -25.238 1.00 54.14 H new ATOM 0 HG22 THR A 64 -5.135 -0.229 -24.273 1.00 54.14 H new ATOM 0 HG23 THR A 64 -5.238 -0.433 -26.038 1.00 54.14 H new ATOM 870 N ASN A 65 -8.138 -3.997 -25.880 1.00 51.43 N ATOM 871 CA ASN A 65 -9.293 -4.886 -25.933 1.00 23.03 C ATOM 872 C ASN A 65 -9.025 -6.172 -25.156 1.00 43.33 C ATOM 873 O ASN A 65 -9.897 -6.676 -24.451 1.00 12.24 O ATOM 874 CB ASN A 65 -9.642 -5.217 -27.385 1.00 60.40 C ATOM 875 CG ASN A 65 -10.631 -4.234 -27.980 1.00 74.45 C ATOM 876 OD1 ASN A 65 -10.603 -3.043 -27.670 1.00 72.43 O ATOM 877 ND2 ASN A 65 -11.513 -4.730 -28.841 1.00 31.53 N ATOM 0 H ASN A 65 -7.694 -3.829 -26.783 1.00 51.43 H new ATOM 0 HA ASN A 65 -10.137 -4.373 -25.472 1.00 23.03 H new ATOM 0 HB2 ASN A 65 -8.731 -5.219 -27.983 1.00 60.40 H new ATOM 0 HB3 ASN A 65 -10.059 -6.223 -27.435 1.00 60.40 H new ATOM 0 HD21 ASN A 65 -12.203 -4.117 -29.274 1.00 31.53 H new ATOM 0 HD22 ASN A 65 -11.500 -5.724 -29.069 1.00 31.53 H new ATOM 884 N ASN A 66 -7.811 -6.696 -25.292 1.00 72.41 N ATOM 885 CA ASN A 66 -7.428 -7.923 -24.603 1.00 64.54 C ATOM 886 C ASN A 66 -7.153 -7.655 -23.127 1.00 30.42 C ATOM 887 O ASN A 66 -7.200 -8.567 -22.301 1.00 10.51 O ATOM 888 CB ASN A 66 -6.189 -8.536 -25.261 1.00 34.21 C ATOM 889 CG ASN A 66 -6.399 -8.820 -26.736 1.00 5.21 C ATOM 890 OD1 ASN A 66 -6.807 -7.942 -27.496 1.00 61.04 O ATOM 891 ND2 ASN A 66 -6.119 -10.051 -27.147 1.00 21.31 N ATOM 0 H ASN A 66 -7.077 -6.291 -25.872 1.00 72.41 H new ATOM 0 HA ASN A 66 -8.257 -8.626 -24.678 1.00 64.54 H new ATOM 0 HB2 ASN A 66 -5.344 -7.858 -25.141 1.00 34.21 H new ATOM 0 HB3 ASN A 66 -5.930 -9.462 -24.749 1.00 34.21 H new ATOM 0 HD21 ASN A 66 -6.240 -10.301 -28.129 1.00 21.31 H new ATOM 0 HD22 ASN A 66 -5.783 -10.747 -26.481 1.00 21.31 H new ATOM 898 N ALA A 67 -6.867 -6.399 -22.802 1.00 41.24 N ATOM 899 CA ALA A 67 -6.587 -6.010 -21.426 1.00 15.13 C ATOM 900 C ALA A 67 -7.867 -5.969 -20.596 1.00 65.24 C ATOM 901 O ALA A 67 -7.866 -6.327 -19.419 1.00 63.31 O ATOM 902 CB ALA A 67 -5.890 -4.658 -21.390 1.00 61.23 C ATOM 0 H ALA A 67 -6.823 -5.633 -23.474 1.00 41.24 H new ATOM 0 HA ALA A 67 -5.925 -6.759 -20.991 1.00 15.13 H new ATOM 0 HB1 ALA A 67 -5.687 -4.381 -20.356 1.00 61.23 H new ATOM 0 HB2 ALA A 67 -4.951 -4.718 -21.940 1.00 61.23 H new ATOM 0 HB3 ALA A 67 -6.532 -3.906 -21.848 1.00 61.23 H new ATOM 908 N ALA A 68 -8.956 -5.530 -21.218 1.00 42.13 N ATOM 909 CA ALA A 68 -10.242 -5.444 -20.538 1.00 2.24 C ATOM 910 C ALA A 68 -10.873 -6.823 -20.380 1.00 1.00 C ATOM 911 O ALA A 68 -11.459 -7.133 -19.343 1.00 63.01 O ATOM 912 CB ALA A 68 -11.179 -4.516 -21.296 1.00 12.21 C ATOM 0 H ALA A 68 -8.973 -5.228 -22.192 1.00 42.13 H new ATOM 0 HA ALA A 68 -10.072 -5.035 -19.542 1.00 2.24 H new ATOM 0 HB1 ALA A 68 -12.136 -4.461 -20.777 1.00 12.21 H new ATOM 0 HB2 ALA A 68 -10.739 -3.520 -21.351 1.00 12.21 H new ATOM 0 HB3 ALA A 68 -11.335 -4.900 -22.304 1.00 12.21 H new ATOM 918 N ALA A 69 -10.750 -7.647 -21.416 1.00 0.24 N ATOM 919 CA ALA A 69 -11.307 -8.993 -21.391 1.00 35.31 C ATOM 920 C ALA A 69 -10.335 -9.979 -20.752 1.00 43.40 C ATOM 921 O ALA A 69 -10.675 -11.139 -20.517 1.00 63.15 O ATOM 922 CB ALA A 69 -11.667 -9.442 -22.800 1.00 4.32 C ATOM 0 H ALA A 69 -10.269 -7.405 -22.283 1.00 0.24 H new ATOM 0 HA ALA A 69 -12.213 -8.972 -20.785 1.00 35.31 H new ATOM 0 HB1 ALA A 69 -12.082 -10.449 -22.766 1.00 4.32 H new ATOM 0 HB2 ALA A 69 -12.405 -8.760 -23.222 1.00 4.32 H new ATOM 0 HB3 ALA A 69 -10.772 -9.439 -23.423 1.00 4.32 H new ATOM 928 N LEU A 70 -9.123 -9.510 -20.473 1.00 74.01 N ATOM 929 CA LEU A 70 -8.100 -10.351 -19.861 1.00 40.34 C ATOM 930 C LEU A 70 -8.604 -10.960 -18.557 1.00 70.11 C ATOM 931 O LEU A 70 -8.657 -12.179 -18.393 1.00 34.12 O ATOM 932 CB LEU A 70 -6.832 -9.536 -19.600 1.00 61.03 C ATOM 933 CG LEU A 70 -5.976 -9.988 -18.417 1.00 2.45 C ATOM 934 CD1 LEU A 70 -5.501 -11.419 -18.616 1.00 53.41 C ATOM 935 CD2 LEU A 70 -4.790 -9.052 -18.228 1.00 35.10 C ATOM 0 H LEU A 70 -8.825 -8.553 -20.661 1.00 74.01 H new ATOM 0 HA LEU A 70 -7.869 -11.161 -20.553 1.00 40.34 H new ATOM 0 HB2 LEU A 70 -6.216 -9.561 -20.499 1.00 61.03 H new ATOM 0 HB3 LEU A 70 -7.119 -8.497 -19.439 1.00 61.03 H new ATOM 0 HG LEU A 70 -6.589 -9.953 -17.516 1.00 2.45 H new ATOM 0 HD11 LEU A 70 -4.893 -11.723 -17.764 1.00 53.41 H new ATOM 0 HD12 LEU A 70 -6.363 -12.080 -18.701 1.00 53.41 H new ATOM 0 HD13 LEU A 70 -4.905 -11.481 -19.527 1.00 53.41 H new ATOM 0 HD21 LEU A 70 -4.192 -9.389 -17.381 1.00 35.10 H new ATOM 0 HD22 LEU A 70 -4.177 -9.055 -19.129 1.00 35.10 H new ATOM 0 HD23 LEU A 70 -5.151 -8.041 -18.038 1.00 35.10 H new ATOM 947 N PRO A 71 -8.985 -10.093 -17.607 1.00 71.40 N ATOM 948 CA PRO A 71 -9.495 -10.523 -16.301 1.00 64.55 C ATOM 949 C PRO A 71 -10.872 -11.171 -16.401 1.00 43.32 C ATOM 950 O PRO A 71 -11.240 -12.001 -15.571 1.00 43.12 O ATOM 951 CB PRO A 71 -9.573 -9.219 -15.504 1.00 73.13 C ATOM 952 CG PRO A 71 -9.722 -8.154 -16.535 1.00 11.32 C ATOM 953 CD PRO A 71 -8.949 -8.627 -17.734 1.00 45.23 C ATOM 0 HA PRO A 71 -8.858 -11.280 -15.844 1.00 64.55 H new ATOM 0 HB2 PRO A 71 -10.419 -9.225 -14.816 1.00 73.13 H new ATOM 0 HB3 PRO A 71 -8.675 -9.067 -14.904 1.00 73.13 H new ATOM 0 HG2 PRO A 71 -10.771 -7.997 -16.785 1.00 11.32 H new ATOM 0 HG3 PRO A 71 -9.335 -7.202 -16.172 1.00 11.32 H new ATOM 0 HD2 PRO A 71 -9.407 -8.293 -18.665 1.00 45.23 H new ATOM 0 HD3 PRO A 71 -7.927 -8.248 -17.728 1.00 45.23 H new ATOM 961 N GLY A 72 -11.629 -10.785 -17.424 1.00 33.24 N ATOM 962 CA GLY A 72 -12.957 -11.339 -17.613 1.00 15.42 C ATOM 963 C GLY A 72 -12.924 -12.794 -18.037 1.00 13.43 C ATOM 964 O GLY A 72 -13.718 -13.605 -17.561 1.00 34.33 O ATOM 0 H GLY A 72 -11.347 -10.099 -18.124 1.00 33.24 H new ATOM 0 HA2 GLY A 72 -13.521 -11.247 -16.685 1.00 15.42 H new ATOM 0 HA3 GLY A 72 -13.486 -10.756 -18.367 1.00 15.42 H new ATOM 968 N LYS A 73 -12.004 -13.125 -18.936 1.00 31.42 N ATOM 969 CA LYS A 73 -11.870 -14.492 -19.425 1.00 62.33 C ATOM 970 C LYS A 73 -11.266 -15.397 -18.355 1.00 53.53 C ATOM 971 O LYS A 73 -11.365 -16.621 -18.435 1.00 64.45 O ATOM 972 CB LYS A 73 -10.999 -14.522 -20.684 1.00 32.05 C ATOM 973 CG LYS A 73 -11.786 -14.350 -21.972 1.00 4.35 C ATOM 974 CD LYS A 73 -11.448 -13.038 -22.660 1.00 4.00 C ATOM 975 CE LYS A 73 -11.939 -13.021 -24.099 1.00 61.13 C ATOM 976 NZ LYS A 73 -11.049 -13.807 -24.998 1.00 50.14 N ATOM 0 H LYS A 73 -11.340 -12.465 -19.341 1.00 31.42 H new ATOM 0 HA LYS A 73 -12.865 -14.863 -19.669 1.00 62.33 H new ATOM 0 HB2 LYS A 73 -10.251 -13.732 -20.617 1.00 32.05 H new ATOM 0 HB3 LYS A 73 -10.461 -15.469 -20.721 1.00 32.05 H new ATOM 0 HG2 LYS A 73 -11.571 -15.181 -22.644 1.00 4.35 H new ATOM 0 HG3 LYS A 73 -12.854 -14.384 -21.755 1.00 4.35 H new ATOM 0 HD2 LYS A 73 -11.899 -12.211 -22.111 1.00 4.00 H new ATOM 0 HD3 LYS A 73 -10.369 -12.883 -22.641 1.00 4.00 H new ATOM 0 HE2 LYS A 73 -12.950 -13.427 -24.143 1.00 61.13 H new ATOM 0 HE3 LYS A 73 -11.994 -11.991 -24.452 1.00 61.13 H new ATOM 0 HZ1 LYS A 73 -11.479 -13.870 -25.943 1.00 50.14 H new ATOM 0 HZ2 LYS A 73 -10.124 -13.337 -25.069 1.00 50.14 H new ATOM 0 HZ3 LYS A 73 -10.922 -14.764 -24.611 1.00 50.14 H new ATOM 990 N CYS A 74 -10.643 -14.785 -17.353 1.00 71.54 N ATOM 991 CA CYS A 74 -10.025 -15.535 -16.266 1.00 45.44 C ATOM 992 C CYS A 74 -10.997 -15.709 -15.103 1.00 51.15 C ATOM 993 O CYS A 74 -10.594 -16.025 -13.985 1.00 42.11 O ATOM 994 CB CYS A 74 -8.759 -14.823 -15.785 1.00 24.44 C ATOM 995 SG CYS A 74 -7.425 -14.758 -17.024 1.00 21.31 S ATOM 0 H CYS A 74 -10.553 -13.772 -17.271 1.00 71.54 H new ATOM 0 HA CYS A 74 -9.759 -16.522 -16.644 1.00 45.44 H new ATOM 0 HB2 CYS A 74 -9.017 -13.806 -15.491 1.00 24.44 H new ATOM 0 HB3 CYS A 74 -8.388 -15.328 -14.893 1.00 24.44 H new ATOM 1000 N GLY A 75 -12.282 -15.500 -15.377 1.00 24.30 N ATOM 1001 CA GLY A 75 -13.292 -15.639 -14.344 1.00 41.14 C ATOM 1002 C GLY A 75 -13.234 -14.521 -13.323 1.00 3.24 C ATOM 1003 O GLY A 75 -13.921 -14.566 -12.302 1.00 63.20 O ATOM 0 H GLY A 75 -12.641 -15.237 -16.295 1.00 24.30 H new ATOM 0 HA2 GLY A 75 -14.279 -15.655 -14.805 1.00 41.14 H new ATOM 0 HA3 GLY A 75 -13.161 -16.596 -13.838 1.00 41.14 H new ATOM 1007 N VAL A 76 -12.410 -13.514 -13.596 1.00 0.14 N ATOM 1008 CA VAL A 76 -12.264 -12.379 -12.692 1.00 21.11 C ATOM 1009 C VAL A 76 -13.123 -11.203 -13.143 1.00 62.12 C ATOM 1010 O VAL A 76 -13.473 -11.092 -14.317 1.00 42.32 O ATOM 1011 CB VAL A 76 -10.796 -11.922 -12.597 1.00 71.14 C ATOM 1012 CG1 VAL A 76 -10.605 -10.979 -11.419 1.00 51.14 C ATOM 1013 CG2 VAL A 76 -9.871 -13.124 -12.484 1.00 64.11 C ATOM 0 H VAL A 76 -11.834 -13.461 -14.436 1.00 0.14 H new ATOM 0 HA VAL A 76 -12.597 -12.712 -11.709 1.00 21.11 H new ATOM 0 HB VAL A 76 -10.542 -11.381 -13.509 1.00 71.14 H new ATOM 0 HG11 VAL A 76 -9.562 -10.667 -11.368 1.00 51.14 H new ATOM 0 HG12 VAL A 76 -11.240 -10.103 -11.548 1.00 51.14 H new ATOM 0 HG13 VAL A 76 -10.876 -11.491 -10.496 1.00 51.14 H new ATOM 0 HG21 VAL A 76 -8.838 -12.783 -12.418 1.00 64.11 H new ATOM 0 HG22 VAL A 76 -10.123 -13.694 -11.590 1.00 64.11 H new ATOM 0 HG23 VAL A 76 -9.988 -13.757 -13.363 1.00 64.11 H new ATOM 1132 N SER A 83 -9.814 1.015 -18.595 1.00 31.54 N ATOM 1133 CA SER A 83 -9.419 2.116 -19.465 1.00 11.14 C ATOM 1134 C SER A 83 -7.968 2.515 -19.212 1.00 33.25 C ATOM 1135 O SER A 83 -7.614 2.955 -18.117 1.00 72.12 O ATOM 1136 CB SER A 83 -10.336 3.321 -19.246 1.00 75.30 C ATOM 1137 OG SER A 83 -9.694 4.526 -19.622 1.00 44.32 O ATOM 0 HA SER A 83 -9.511 1.781 -20.498 1.00 11.14 H new ATOM 0 HB2 SER A 83 -11.250 3.196 -19.826 1.00 75.30 H new ATOM 0 HB3 SER A 83 -10.629 3.373 -18.197 1.00 75.30 H new ATOM 0 HG SER A 83 -9.831 5.201 -18.925 1.00 44.32 H new ATOM 1143 N THR A 84 -7.131 2.357 -20.232 1.00 51.43 N ATOM 1144 CA THR A 84 -5.719 2.699 -20.122 1.00 63.00 C ATOM 1145 C THR A 84 -5.526 4.205 -19.987 1.00 52.10 C ATOM 1146 O THR A 84 -4.434 4.676 -19.669 1.00 44.44 O ATOM 1147 CB THR A 84 -4.923 2.198 -21.342 1.00 43.51 C ATOM 1148 OG1 THR A 84 -5.472 2.748 -22.545 1.00 14.13 O ATOM 1149 CG2 THR A 84 -4.945 0.679 -21.417 1.00 2.25 C ATOM 0 H THR A 84 -7.407 1.994 -21.144 1.00 51.43 H new ATOM 0 HA THR A 84 -5.344 2.206 -19.225 1.00 63.00 H new ATOM 0 HB THR A 84 -3.889 2.525 -21.232 1.00 43.51 H new ATOM 0 HG1 THR A 84 -4.959 2.426 -23.316 1.00 14.13 H new ATOM 0 HG21 THR A 84 -4.376 0.349 -22.287 1.00 2.25 H new ATOM 0 HG22 THR A 84 -4.499 0.264 -20.513 1.00 2.25 H new ATOM 0 HG23 THR A 84 -5.975 0.334 -21.505 1.00 2.25 H new ATOM 1157 N THR A 85 -6.595 4.958 -20.230 1.00 22.14 N ATOM 1158 CA THR A 85 -6.543 6.411 -20.135 1.00 53.35 C ATOM 1159 C THR A 85 -7.022 6.891 -18.770 1.00 51.21 C ATOM 1160 O THR A 85 -6.808 8.045 -18.395 1.00 75.33 O ATOM 1161 CB THR A 85 -7.400 7.076 -21.230 1.00 24.11 C ATOM 1162 OG1 THR A 85 -8.778 6.736 -21.047 1.00 75.41 O ATOM 1163 CG2 THR A 85 -6.943 6.639 -22.614 1.00 14.12 C ATOM 0 H THR A 85 -7.507 4.585 -20.494 1.00 22.14 H new ATOM 0 HA THR A 85 -5.501 6.700 -20.273 1.00 53.35 H new ATOM 0 HB THR A 85 -7.280 8.156 -21.149 1.00 24.11 H new ATOM 0 HG1 THR A 85 -8.846 5.945 -20.473 1.00 75.41 H new ATOM 0 HG21 THR A 85 -7.562 7.121 -23.371 1.00 14.12 H new ATOM 0 HG22 THR A 85 -5.902 6.926 -22.761 1.00 14.12 H new ATOM 0 HG23 THR A 85 -7.037 5.557 -22.703 1.00 14.12 H new ATOM 1171 N THR A 86 -7.671 5.999 -18.028 1.00 62.12 N ATOM 1172 CA THR A 86 -8.180 6.332 -16.704 1.00 74.40 C ATOM 1173 C THR A 86 -7.053 6.393 -15.680 1.00 45.24 C ATOM 1174 O THR A 86 -6.106 5.610 -15.738 1.00 70.40 O ATOM 1175 CB THR A 86 -9.231 5.308 -16.233 1.00 3.12 C ATOM 1176 OG1 THR A 86 -10.377 5.353 -17.089 1.00 53.14 O ATOM 1177 CG2 THR A 86 -9.652 5.587 -14.798 1.00 31.21 C ATOM 0 H THR A 86 -7.856 5.040 -18.322 1.00 62.12 H new ATOM 0 HA THR A 86 -8.648 7.313 -16.783 1.00 74.40 H new ATOM 0 HB THR A 86 -8.784 4.315 -16.278 1.00 3.12 H new ATOM 0 HG1 THR A 86 -11.146 4.957 -16.628 1.00 53.14 H new ATOM 0 HG21 THR A 86 -10.394 4.852 -14.487 1.00 31.21 H new ATOM 0 HG22 THR A 86 -8.782 5.523 -14.145 1.00 31.21 H new ATOM 0 HG23 THR A 86 -10.082 6.587 -14.733 1.00 31.21 H new ATOM 1185 N ASN A 87 -7.161 7.329 -14.743 1.00 44.53 N ATOM 1186 CA ASN A 87 -6.149 7.493 -13.706 1.00 22.12 C ATOM 1187 C ASN A 87 -6.455 6.606 -12.503 1.00 22.31 C ATOM 1188 O ASN A 87 -7.258 6.964 -11.641 1.00 52.34 O ATOM 1189 CB ASN A 87 -6.070 8.957 -13.267 1.00 61.41 C ATOM 1190 CG ASN A 87 -4.677 9.350 -12.814 1.00 52.10 C ATOM 1191 OD1 ASN A 87 -3.743 8.551 -12.879 1.00 4.45 O ATOM 1192 ND2 ASN A 87 -4.533 10.587 -12.352 1.00 61.31 N ATOM 0 H ASN A 87 -7.939 7.986 -14.680 1.00 44.53 H new ATOM 0 HA ASN A 87 -5.187 7.193 -14.122 1.00 22.12 H new ATOM 0 HB2 ASN A 87 -6.375 9.598 -14.094 1.00 61.41 H new ATOM 0 HB3 ASN A 87 -6.775 9.128 -12.454 1.00 61.41 H new ATOM 0 HD21 ASN A 87 -3.619 10.909 -12.033 1.00 61.31 H new ATOM 0 HD22 ASN A 87 -5.336 11.215 -12.317 1.00 61.31 H new ATOM 1199 N CYS A 88 -5.808 5.446 -12.450 1.00 74.14 N ATOM 1200 CA CYS A 88 -6.010 4.506 -11.354 1.00 51.41 C ATOM 1201 C CYS A 88 -5.630 5.139 -10.019 1.00 1.25 C ATOM 1202 O CYS A 88 -5.985 4.631 -8.956 1.00 2.00 O ATOM 1203 CB CYS A 88 -5.185 3.238 -11.583 1.00 53.31 C ATOM 1204 SG CYS A 88 -5.607 2.343 -13.113 1.00 11.23 S ATOM 0 H CYS A 88 -5.139 5.135 -13.154 1.00 74.14 H new ATOM 0 HA CYS A 88 -7.067 4.243 -11.324 1.00 51.41 H new ATOM 0 HB2 CYS A 88 -4.128 3.505 -11.610 1.00 53.31 H new ATOM 0 HB3 CYS A 88 -5.323 2.569 -10.734 1.00 53.31 H new ATOM 1209 N ASN A 89 -4.906 6.252 -10.082 1.00 62.11 N ATOM 1210 CA ASN A 89 -4.477 6.955 -8.878 1.00 61.43 C ATOM 1211 C ASN A 89 -5.658 7.643 -8.200 1.00 62.33 C ATOM 1212 O ASN A 89 -5.566 8.068 -7.048 1.00 62.11 O ATOM 1213 CB ASN A 89 -3.400 7.986 -9.221 1.00 24.41 C ATOM 1214 CG ASN A 89 -2.043 7.615 -8.653 1.00 32.12 C ATOM 1215 OD1 ASN A 89 -1.926 7.255 -7.481 1.00 62.03 O ATOM 1216 ND2 ASN A 89 -1.010 7.702 -9.483 1.00 34.01 N ATOM 0 H ASN A 89 -4.604 6.687 -10.954 1.00 62.11 H new ATOM 0 HA ASN A 89 -4.061 6.221 -8.187 1.00 61.43 H new ATOM 0 HB2 ASN A 89 -3.324 8.081 -10.304 1.00 24.41 H new ATOM 0 HB3 ASN A 89 -3.698 8.961 -8.835 1.00 24.41 H new ATOM 0 HD21 ASN A 89 -0.073 7.466 -9.157 1.00 34.01 H new ATOM 0 HD22 ASN A 89 -1.154 8.005 -10.446 1.00 34.01 H new ATOM 1223 N THR A 90 -6.769 7.749 -8.923 1.00 23.20 N ATOM 1224 CA THR A 90 -7.968 8.385 -8.393 1.00 3.24 C ATOM 1225 C THR A 90 -9.015 7.348 -8.005 1.00 30.34 C ATOM 1226 O THR A 90 -10.207 7.649 -7.937 1.00 3.23 O ATOM 1227 CB THR A 90 -8.583 9.363 -9.412 1.00 62.51 C ATOM 1228 OG1 THR A 90 -8.992 8.652 -10.586 1.00 54.30 O ATOM 1229 CG2 THR A 90 -7.586 10.447 -9.791 1.00 42.14 C ATOM 0 H THR A 90 -6.863 7.402 -9.878 1.00 23.20 H new ATOM 0 HA THR A 90 -7.665 8.940 -7.505 1.00 3.24 H new ATOM 0 HB THR A 90 -9.451 9.835 -8.952 1.00 62.51 H new ATOM 0 HG1 THR A 90 -8.202 8.306 -11.051 1.00 54.30 H new ATOM 0 HG21 THR A 90 -8.043 11.126 -10.511 1.00 42.14 H new ATOM 0 HG22 THR A 90 -7.298 11.004 -8.900 1.00 42.14 H new ATOM 0 HG23 THR A 90 -6.702 9.989 -10.234 1.00 42.14 H new ATOM 1237 N VAL A 91 -8.563 6.124 -7.750 1.00 31.10 N ATOM 1238 CA VAL A 91 -9.462 5.041 -7.367 1.00 4.54 C ATOM 1239 C VAL A 91 -9.508 4.876 -5.852 1.00 3.13 C ATOM 1240 O VAL A 91 -8.845 5.607 -5.116 1.00 24.15 O ATOM 1241 CB VAL A 91 -9.036 3.706 -8.005 1.00 60.01 C ATOM 1242 CG1 VAL A 91 -8.771 3.885 -9.492 1.00 42.41 C ATOM 1243 CG2 VAL A 91 -7.810 3.146 -7.300 1.00 62.23 C ATOM 0 H VAL A 91 -7.580 5.857 -7.802 1.00 31.10 H new ATOM 0 HA VAL A 91 -10.454 5.309 -7.731 1.00 4.54 H new ATOM 0 HB VAL A 91 -9.851 2.992 -7.889 1.00 60.01 H new ATOM 0 HG11 VAL A 91 -8.471 2.931 -9.926 1.00 42.41 H new ATOM 0 HG12 VAL A 91 -9.678 4.238 -9.983 1.00 42.41 H new ATOM 0 HG13 VAL A 91 -7.974 4.615 -9.634 1.00 42.41 H new ATOM 0 HG21 VAL A 91 -7.523 2.202 -7.764 1.00 62.23 H new ATOM 0 HG22 VAL A 91 -6.987 3.856 -7.382 1.00 62.23 H new ATOM 0 HG23 VAL A 91 -8.040 2.978 -6.248 1.00 62.23 H new