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 87 ASN : amide:sc= -0.855 K(o=-0.9,f=-3.8!) USER MOD Set 1.2: A 89 ASN :FLIP amide:sc= -0.0456 F(o=-3.7,f=-0.9) USER MOD Set 2.1: A 17 TYR OH : rot -175:sc= -0.518 USER MOD Set 2.2: A 66 ASN :FLIP amide:sc= -2.4 F(o=-3.8,f=-2.9) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 104:sc= 0.168 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 17:sc= 0.888 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0691 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= -0.0616 K(o=-0.062,f=-1.4) USER MOD Single : A 41 THR OG1 : rot -168:sc= -3.34! USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.5!) USER MOD Single : A 50 ASN : amide:sc= -1.96 K(o=-2,f=-3.5!) USER MOD Single : A 53 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.494) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -37:sc= 0.219 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= -3.18 K(o=-3.2,f=-4.9!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 33:sc= 0.223 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -60:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 11 N ILE A 2 2.923 -2.451 -2.767 1.00 72.32 N ATOM 12 CA ILE A 2 3.297 -3.617 -3.557 1.00 64.45 C ATOM 13 C ILE A 2 4.573 -3.357 -4.351 1.00 41.11 C ATOM 14 O ILE A 2 5.051 -2.225 -4.423 1.00 43.14 O ATOM 15 CB ILE A 2 2.174 -4.022 -4.531 1.00 24.23 C ATOM 16 CG1 ILE A 2 1.984 -2.945 -5.601 1.00 22.23 C ATOM 17 CG2 ILE A 2 0.877 -4.259 -3.773 1.00 14.31 C ATOM 18 CD1 ILE A 2 0.907 -3.279 -6.609 1.00 11.42 C ATOM 0 HA ILE A 2 3.468 -4.432 -2.854 1.00 64.45 H new ATOM 0 HB ILE A 2 2.458 -4.951 -5.025 1.00 24.23 H new ATOM 0 HG12 ILE A 2 1.736 -2.001 -5.115 1.00 22.23 H new ATOM 0 HG13 ILE A 2 2.928 -2.795 -6.126 1.00 22.23 H new ATOM 0 HG21 ILE A 2 0.093 -4.544 -4.474 1.00 14.31 H new ATOM 0 HG22 ILE A 2 1.022 -5.058 -3.045 1.00 14.31 H new ATOM 0 HG23 ILE A 2 0.586 -3.345 -3.255 1.00 14.31 H new ATOM 0 HD11 ILE A 2 0.827 -2.472 -7.337 1.00 11.42 H new ATOM 0 HD12 ILE A 2 1.163 -4.206 -7.122 1.00 11.42 H new ATOM 0 HD13 ILE A 2 -0.047 -3.400 -6.096 1.00 11.42 H new ATOM 30 N SER A 3 5.119 -4.412 -4.947 1.00 31.42 N ATOM 31 CA SER A 3 6.341 -4.299 -5.734 1.00 52.34 C ATOM 32 C SER A 3 6.022 -4.223 -7.224 1.00 53.24 C ATOM 33 O SER A 3 5.510 -5.177 -7.811 1.00 51.22 O ATOM 34 CB SER A 3 7.263 -5.488 -5.459 1.00 31.03 C ATOM 35 OG SER A 3 7.872 -5.376 -4.184 1.00 71.41 O ATOM 0 H SER A 3 4.734 -5.355 -4.900 1.00 31.42 H new ATOM 0 HA SER A 3 6.848 -3.380 -5.441 1.00 52.34 H new ATOM 0 HB2 SER A 3 6.692 -6.415 -5.513 1.00 31.03 H new ATOM 0 HB3 SER A 3 8.032 -5.542 -6.230 1.00 31.03 H new ATOM 0 HG SER A 3 8.455 -6.149 -4.031 1.00 71.41 H new ATOM 41 N CYS A 4 6.328 -3.081 -7.831 1.00 53.10 N ATOM 42 CA CYS A 4 6.074 -2.877 -9.252 1.00 62.52 C ATOM 43 C CYS A 4 6.656 -4.022 -10.078 1.00 14.33 C ATOM 44 O CYS A 4 6.078 -4.432 -11.083 1.00 52.34 O ATOM 45 CB CYS A 4 6.672 -1.547 -9.713 1.00 11.40 C ATOM 46 SG CYS A 4 5.984 -0.926 -11.282 1.00 24.32 S ATOM 0 H CYS A 4 6.753 -2.282 -7.360 1.00 53.10 H new ATOM 0 HA CYS A 4 4.995 -2.854 -9.403 1.00 62.52 H new ATOM 0 HB2 CYS A 4 6.510 -0.799 -8.936 1.00 11.40 H new ATOM 0 HB3 CYS A 4 7.750 -1.664 -9.823 1.00 11.40 H new ATOM 51 N GLY A 5 7.804 -4.533 -9.644 1.00 72.20 N ATOM 52 CA GLY A 5 8.445 -5.625 -10.354 1.00 15.13 C ATOM 53 C GLY A 5 7.566 -6.857 -10.437 1.00 74.13 C ATOM 54 O GLY A 5 7.650 -7.624 -11.396 1.00 54.43 O ATOM 0 H GLY A 5 8.302 -4.211 -8.814 1.00 72.20 H new ATOM 0 HA2 GLY A 5 8.703 -5.298 -11.361 1.00 15.13 H new ATOM 0 HA3 GLY A 5 9.379 -5.882 -9.853 1.00 15.13 H new ATOM 58 N ALA A 6 6.721 -7.049 -9.429 1.00 61.13 N ATOM 59 CA ALA A 6 5.823 -8.197 -9.393 1.00 40.42 C ATOM 60 C ALA A 6 4.536 -7.911 -10.160 1.00 63.12 C ATOM 61 O ALA A 6 3.822 -8.831 -10.559 1.00 64.34 O ATOM 62 CB ALA A 6 5.509 -8.576 -7.954 1.00 15.54 C ATOM 0 H ALA A 6 6.640 -6.424 -8.627 1.00 61.13 H new ATOM 0 HA ALA A 6 6.325 -9.035 -9.877 1.00 40.42 H new ATOM 0 HB1 ALA A 6 4.838 -9.435 -7.942 1.00 15.54 H new ATOM 0 HB2 ALA A 6 6.433 -8.831 -7.435 1.00 15.54 H new ATOM 0 HB3 ALA A 6 5.031 -7.735 -7.452 1.00 15.54 H new ATOM 68 N VAL A 7 4.245 -6.630 -10.363 1.00 3.04 N ATOM 69 CA VAL A 7 3.044 -6.223 -11.082 1.00 63.34 C ATOM 70 C VAL A 7 3.131 -6.605 -12.556 1.00 32.22 C ATOM 71 O VAL A 7 2.227 -7.243 -13.098 1.00 43.31 O ATOM 72 CB VAL A 7 2.809 -4.705 -10.970 1.00 24.32 C ATOM 73 CG1 VAL A 7 1.526 -4.309 -11.684 1.00 1.14 C ATOM 74 CG2 VAL A 7 2.771 -4.279 -9.510 1.00 35.41 C ATOM 0 H VAL A 7 4.825 -5.856 -10.039 1.00 3.04 H new ATOM 0 HA VAL A 7 2.207 -6.747 -10.622 1.00 63.34 H new ATOM 0 HB VAL A 7 3.639 -4.189 -11.454 1.00 24.32 H new ATOM 0 HG11 VAL A 7 1.377 -3.233 -11.594 1.00 1.14 H new ATOM 0 HG12 VAL A 7 1.598 -4.579 -12.738 1.00 1.14 H new ATOM 0 HG13 VAL A 7 0.682 -4.831 -11.233 1.00 1.14 H new ATOM 0 HG21 VAL A 7 2.604 -3.204 -9.449 1.00 35.41 H new ATOM 0 HG22 VAL A 7 1.962 -4.801 -9.000 1.00 35.41 H new ATOM 0 HG23 VAL A 7 3.720 -4.527 -9.034 1.00 35.41 H new ATOM 84 N THR A 8 4.225 -6.212 -13.200 1.00 51.43 N ATOM 85 CA THR A 8 4.430 -6.512 -14.612 1.00 1.34 C ATOM 86 C THR A 8 4.814 -7.973 -14.813 1.00 31.32 C ATOM 87 O THR A 8 4.398 -8.606 -15.783 1.00 63.14 O ATOM 88 CB THR A 8 5.525 -5.617 -15.223 1.00 15.40 C ATOM 89 OG1 THR A 8 6.789 -5.904 -14.615 1.00 13.22 O ATOM 90 CG2 THR A 8 5.188 -4.145 -15.034 1.00 71.14 C ATOM 0 H THR A 8 4.983 -5.685 -12.766 1.00 51.43 H new ATOM 0 HA THR A 8 3.485 -6.314 -15.118 1.00 1.34 H new ATOM 0 HB THR A 8 5.581 -5.827 -16.291 1.00 15.40 H new ATOM 0 HG1 THR A 8 7.480 -5.332 -15.010 1.00 13.22 H new ATOM 0 HG21 THR A 8 5.975 -3.532 -15.473 1.00 71.14 H new ATOM 0 HG22 THR A 8 4.240 -3.923 -15.523 1.00 71.14 H new ATOM 0 HG23 THR A 8 5.107 -3.924 -13.970 1.00 71.14 H new ATOM 98 N SER A 9 5.609 -8.504 -13.889 1.00 72.12 N ATOM 99 CA SER A 9 6.051 -9.891 -13.967 1.00 62.43 C ATOM 100 C SER A 9 4.859 -10.844 -13.944 1.00 5.22 C ATOM 101 O SER A 9 4.828 -11.834 -14.674 1.00 73.24 O ATOM 102 CB SER A 9 6.998 -10.213 -12.810 1.00 2.25 C ATOM 103 OG SER A 9 8.340 -9.906 -13.148 1.00 14.34 O ATOM 0 H SER A 9 5.960 -7.994 -13.078 1.00 72.12 H new ATOM 0 HA SER A 9 6.582 -10.024 -14.909 1.00 62.43 H new ATOM 0 HB2 SER A 9 6.704 -9.646 -11.927 1.00 2.25 H new ATOM 0 HB3 SER A 9 6.917 -11.269 -12.553 1.00 2.25 H new ATOM 0 HG SER A 9 8.608 -9.076 -12.701 1.00 14.34 H new ATOM 109 N ASP A 10 3.881 -10.536 -13.099 1.00 64.41 N ATOM 110 CA ASP A 10 2.686 -11.363 -12.980 1.00 21.32 C ATOM 111 C ASP A 10 1.965 -11.473 -14.320 1.00 1.23 C ATOM 112 O ASP A 10 1.197 -12.408 -14.549 1.00 64.41 O ATOM 113 CB ASP A 10 1.742 -10.784 -11.925 1.00 5.03 C ATOM 114 CG ASP A 10 2.188 -11.104 -10.511 1.00 41.23 C ATOM 115 OD1 ASP A 10 1.354 -10.999 -9.588 1.00 33.13 O ATOM 116 OD2 ASP A 10 3.371 -11.460 -10.329 1.00 10.51 O ATOM 0 H ASP A 10 3.892 -9.720 -12.487 1.00 64.41 H new ATOM 0 HA ASP A 10 2.995 -12.362 -12.671 1.00 21.32 H new ATOM 0 HB2 ASP A 10 1.683 -9.703 -12.048 1.00 5.03 H new ATOM 0 HB3 ASP A 10 0.738 -11.178 -12.084 1.00 5.03 H new ATOM 121 N LEU A 11 2.216 -10.511 -15.201 1.00 21.00 N ATOM 122 CA LEU A 11 1.590 -10.498 -16.519 1.00 22.44 C ATOM 123 C LEU A 11 2.574 -10.951 -17.593 1.00 74.30 C ATOM 124 O LEU A 11 2.363 -10.712 -18.782 1.00 4.51 O ATOM 125 CB LEU A 11 1.071 -9.097 -16.845 1.00 33.03 C ATOM 126 CG LEU A 11 -0.192 -8.659 -16.101 1.00 62.43 C ATOM 127 CD1 LEU A 11 -0.694 -7.328 -16.639 1.00 63.42 C ATOM 128 CD2 LEU A 11 -1.273 -9.724 -16.214 1.00 32.10 C ATOM 0 H LEU A 11 2.848 -9.730 -15.027 1.00 21.00 H new ATOM 0 HA LEU A 11 0.752 -11.194 -16.503 1.00 22.44 H new ATOM 0 HB2 LEU A 11 1.862 -8.379 -16.630 1.00 33.03 H new ATOM 0 HB3 LEU A 11 0.875 -9.044 -17.916 1.00 33.03 H new ATOM 0 HG LEU A 11 0.056 -8.531 -15.047 1.00 62.43 H new ATOM 0 HD11 LEU A 11 -1.593 -7.033 -16.098 1.00 63.42 H new ATOM 0 HD12 LEU A 11 0.076 -6.568 -16.506 1.00 63.42 H new ATOM 0 HD13 LEU A 11 -0.925 -7.428 -17.699 1.00 63.42 H new ATOM 0 HD21 LEU A 11 -2.164 -9.396 -15.679 1.00 32.10 H new ATOM 0 HD22 LEU A 11 -1.518 -9.884 -17.264 1.00 32.10 H new ATOM 0 HD23 LEU A 11 -0.912 -10.656 -15.780 1.00 32.10 H new ATOM 140 N SER A 12 3.647 -11.609 -17.166 1.00 71.12 N ATOM 141 CA SER A 12 4.664 -12.095 -18.091 1.00 51.35 C ATOM 142 C SER A 12 4.041 -12.978 -19.168 1.00 64.32 C ATOM 143 O SER A 12 4.120 -12.693 -20.363 1.00 55.13 O ATOM 144 CB SER A 12 5.741 -12.875 -17.335 1.00 51.02 C ATOM 145 OG SER A 12 6.866 -12.057 -17.062 1.00 34.54 O ATOM 0 H SER A 12 3.835 -11.818 -16.185 1.00 71.12 H new ATOM 0 HA SER A 12 5.123 -11.232 -18.574 1.00 51.35 H new ATOM 0 HB2 SER A 12 5.330 -13.257 -16.401 1.00 51.02 H new ATOM 0 HB3 SER A 12 6.050 -13.739 -17.924 1.00 51.02 H new ATOM 0 HG SER A 12 7.539 -12.578 -16.577 1.00 34.54 H new ATOM 151 N PRO A 13 3.408 -14.079 -18.736 1.00 54.50 N ATOM 152 CA PRO A 13 2.758 -15.027 -19.646 1.00 3.11 C ATOM 153 C PRO A 13 1.509 -14.444 -20.296 1.00 54.53 C ATOM 154 O PRO A 13 0.979 -15.001 -21.258 1.00 34.22 O ATOM 155 CB PRO A 13 2.389 -16.198 -18.733 1.00 34.35 C ATOM 156 CG PRO A 13 2.268 -15.597 -17.375 1.00 5.21 C ATOM 157 CD PRO A 13 3.275 -14.481 -17.326 1.00 24.12 C ATOM 0 HA PRO A 13 3.407 -15.304 -20.477 1.00 3.11 H new ATOM 0 HB2 PRO A 13 1.454 -16.663 -19.045 1.00 34.35 H new ATOM 0 HB3 PRO A 13 3.154 -16.974 -18.756 1.00 34.35 H new ATOM 0 HG2 PRO A 13 1.260 -15.221 -17.203 1.00 5.21 H new ATOM 0 HG3 PRO A 13 2.468 -16.338 -16.601 1.00 5.21 H new ATOM 0 HD2 PRO A 13 2.930 -13.655 -16.704 1.00 24.12 H new ATOM 0 HD3 PRO A 13 4.226 -14.816 -16.912 1.00 24.12 H new ATOM 165 N CYS A 14 1.042 -13.318 -19.767 1.00 2.35 N ATOM 166 CA CYS A 14 -0.146 -12.658 -20.295 1.00 45.11 C ATOM 167 C CYS A 14 0.225 -11.677 -21.404 1.00 61.52 C ATOM 168 O CYS A 14 -0.566 -11.423 -22.313 1.00 72.34 O ATOM 169 CB CYS A 14 -0.887 -11.923 -19.176 1.00 63.14 C ATOM 170 SG CYS A 14 -1.418 -12.998 -17.805 1.00 74.45 S ATOM 0 H CYS A 14 1.469 -12.843 -18.972 1.00 2.35 H new ATOM 0 HA CYS A 14 -0.800 -13.423 -20.714 1.00 45.11 H new ATOM 0 HB2 CYS A 14 -0.240 -11.140 -18.780 1.00 63.14 H new ATOM 0 HB3 CYS A 14 -1.763 -11.430 -19.598 1.00 63.14 H new ATOM 175 N LEU A 15 1.433 -11.130 -21.323 1.00 33.01 N ATOM 176 CA LEU A 15 1.910 -10.177 -22.320 1.00 34.45 C ATOM 177 C LEU A 15 1.581 -10.655 -23.730 1.00 62.24 C ATOM 178 O LEU A 15 1.185 -9.866 -24.589 1.00 35.23 O ATOM 179 CB LEU A 15 3.419 -9.972 -22.177 1.00 33.44 C ATOM 180 CG LEU A 15 3.971 -8.652 -22.715 1.00 14.23 C ATOM 181 CD1 LEU A 15 3.268 -7.473 -22.059 1.00 41.01 C ATOM 182 CD2 LEU A 15 5.474 -8.571 -22.491 1.00 34.12 C ATOM 0 H LEU A 15 2.100 -11.330 -20.578 1.00 33.01 H new ATOM 0 HA LEU A 15 1.403 -9.227 -22.151 1.00 34.45 H new ATOM 0 HB2 LEU A 15 3.677 -10.047 -21.121 1.00 33.44 H new ATOM 0 HB3 LEU A 15 3.927 -10.790 -22.688 1.00 33.44 H new ATOM 0 HG LEU A 15 3.781 -8.611 -23.788 1.00 14.23 H new ATOM 0 HD11 LEU A 15 3.674 -6.542 -22.454 1.00 41.01 H new ATOM 0 HD12 LEU A 15 2.200 -7.522 -22.271 1.00 41.01 H new ATOM 0 HD13 LEU A 15 3.426 -7.509 -20.981 1.00 41.01 H new ATOM 0 HD21 LEU A 15 5.849 -7.625 -22.880 1.00 34.12 H new ATOM 0 HD22 LEU A 15 5.687 -8.634 -21.424 1.00 34.12 H new ATOM 0 HD23 LEU A 15 5.964 -9.396 -23.008 1.00 34.12 H new ATOM 194 N THR A 16 1.747 -11.953 -23.964 1.00 20.53 N ATOM 195 CA THR A 16 1.467 -12.537 -25.270 1.00 24.14 C ATOM 196 C THR A 16 0.049 -12.214 -25.724 1.00 51.51 C ATOM 197 O THR A 16 -0.151 -11.536 -26.733 1.00 1.14 O ATOM 198 CB THR A 16 1.653 -14.066 -25.253 1.00 33.22 C ATOM 199 OG1 THR A 16 3.014 -14.391 -24.952 1.00 24.42 O ATOM 200 CG2 THR A 16 1.265 -14.673 -26.593 1.00 5.01 C ATOM 0 H THR A 16 2.074 -12.620 -23.265 1.00 20.53 H new ATOM 0 HA THR A 16 2.178 -12.100 -25.971 1.00 24.14 H new ATOM 0 HB THR A 16 1.003 -14.480 -24.483 1.00 33.22 H new ATOM 0 HG1 THR A 16 3.123 -15.365 -24.941 1.00 24.42 H new ATOM 0 HG21 THR A 16 1.405 -15.753 -26.557 1.00 5.01 H new ATOM 0 HG22 THR A 16 0.219 -14.449 -26.805 1.00 5.01 H new ATOM 0 HG23 THR A 16 1.893 -14.252 -27.379 1.00 5.01 H new ATOM 208 N TYR A 17 -0.933 -12.701 -24.974 1.00 72.13 N ATOM 209 CA TYR A 17 -2.334 -12.465 -25.302 1.00 13.23 C ATOM 210 C TYR A 17 -2.666 -10.977 -25.233 1.00 74.31 C ATOM 211 O TYR A 17 -3.502 -10.480 -25.989 1.00 13.01 O ATOM 212 CB TYR A 17 -3.241 -13.246 -24.349 1.00 51.30 C ATOM 213 CG TYR A 17 -4.696 -12.843 -24.432 1.00 11.24 C ATOM 214 CD1 TYR A 17 -5.311 -12.170 -23.383 1.00 35.42 C ATOM 215 CD2 TYR A 17 -5.456 -13.135 -25.558 1.00 23.35 C ATOM 216 CE1 TYR A 17 -6.641 -11.801 -23.453 1.00 42.13 C ATOM 217 CE2 TYR A 17 -6.785 -12.768 -25.637 1.00 70.44 C ATOM 218 CZ TYR A 17 -7.373 -12.102 -24.583 1.00 11.32 C ATOM 219 OH TYR A 17 -8.698 -11.736 -24.658 1.00 5.31 O ATOM 0 H TYR A 17 -0.785 -13.262 -24.135 1.00 72.13 H new ATOM 0 HA TYR A 17 -2.506 -12.811 -26.321 1.00 13.23 H new ATOM 0 HB2 TYR A 17 -3.154 -14.310 -24.569 1.00 51.30 H new ATOM 0 HB3 TYR A 17 -2.890 -13.102 -23.327 1.00 51.30 H new ATOM 0 HD1 TYR A 17 -4.740 -11.931 -22.498 1.00 35.42 H new ATOM 0 HD2 TYR A 17 -5.000 -13.658 -26.385 1.00 23.35 H new ATOM 0 HE1 TYR A 17 -7.104 -11.280 -22.628 1.00 42.13 H new ATOM 0 HE2 TYR A 17 -7.361 -13.002 -26.520 1.00 70.44 H new ATOM 0 HH TYR A 17 -9.089 -12.090 -25.484 1.00 5.31 H new ATOM 229 N LEU A 18 -2.005 -10.272 -24.322 1.00 53.11 N ATOM 230 CA LEU A 18 -2.228 -8.840 -24.153 1.00 72.15 C ATOM 231 C LEU A 18 -1.659 -8.058 -25.333 1.00 13.32 C ATOM 232 O LEU A 18 -2.052 -6.918 -25.584 1.00 2.34 O ATOM 233 CB LEU A 18 -1.591 -8.355 -22.850 1.00 54.20 C ATOM 234 CG LEU A 18 -2.229 -8.870 -21.559 1.00 42.01 C ATOM 235 CD1 LEU A 18 -1.569 -8.232 -20.347 1.00 12.35 C ATOM 236 CD2 LEU A 18 -3.726 -8.599 -21.559 1.00 12.14 C ATOM 0 H LEU A 18 -1.310 -10.668 -23.689 1.00 53.11 H new ATOM 0 HA LEU A 18 -3.303 -8.667 -24.111 1.00 72.15 H new ATOM 0 HB2 LEU A 18 -0.540 -8.644 -22.853 1.00 54.20 H new ATOM 0 HB3 LEU A 18 -1.622 -7.266 -22.837 1.00 54.20 H new ATOM 0 HG LEU A 18 -2.076 -9.948 -21.505 1.00 42.01 H new ATOM 0 HD11 LEU A 18 -2.036 -8.610 -19.437 1.00 12.35 H new ATOM 0 HD12 LEU A 18 -0.507 -8.478 -20.339 1.00 12.35 H new ATOM 0 HD13 LEU A 18 -1.690 -7.150 -20.394 1.00 12.35 H new ATOM 0 HD21 LEU A 18 -4.163 -8.972 -20.633 1.00 12.14 H new ATOM 0 HD22 LEU A 18 -3.902 -7.526 -21.637 1.00 12.14 H new ATOM 0 HD23 LEU A 18 -4.187 -9.104 -22.407 1.00 12.14 H new ATOM 248 N THR A 19 -0.733 -8.678 -26.056 1.00 64.44 N ATOM 249 CA THR A 19 -0.110 -8.041 -27.210 1.00 73.41 C ATOM 250 C THR A 19 -0.741 -8.524 -28.511 1.00 64.33 C ATOM 251 O THR A 19 -0.106 -8.503 -29.565 1.00 71.01 O ATOM 252 CB THR A 19 1.405 -8.316 -27.254 1.00 12.10 C ATOM 253 OG1 THR A 19 1.649 -9.725 -27.189 1.00 65.32 O ATOM 254 CG2 THR A 19 2.115 -7.619 -26.103 1.00 35.43 C ATOM 0 H THR A 19 -0.397 -9.622 -25.863 1.00 64.44 H new ATOM 0 HA THR A 19 -0.274 -6.968 -27.106 1.00 73.41 H new ATOM 0 HB THR A 19 1.796 -7.923 -28.192 1.00 12.10 H new ATOM 0 HG1 THR A 19 0.825 -10.210 -27.403 1.00 65.32 H new ATOM 0 HG21 THR A 19 3.184 -7.828 -26.155 1.00 35.43 H new ATOM 0 HG22 THR A 19 1.951 -6.544 -26.172 1.00 35.43 H new ATOM 0 HG23 THR A 19 1.719 -7.986 -25.156 1.00 35.43 H new ATOM 262 N GLY A 20 -1.994 -8.959 -28.431 1.00 35.44 N ATOM 263 CA GLY A 20 -2.690 -9.441 -29.610 1.00 1.02 C ATOM 264 C GLY A 20 -2.516 -10.932 -29.817 1.00 23.41 C ATOM 265 O GLY A 20 -3.159 -11.526 -30.681 1.00 54.44 O ATOM 0 H GLY A 20 -2.540 -8.986 -27.570 1.00 35.44 H new ATOM 0 HA2 GLY A 20 -3.752 -9.211 -29.521 1.00 1.02 H new ATOM 0 HA3 GLY A 20 -2.322 -8.910 -30.488 1.00 1.02 H new ATOM 269 N GLY A 21 -1.641 -11.541 -29.022 1.00 3.23 N ATOM 270 CA GLY A 21 -1.398 -12.967 -29.139 1.00 40.33 C ATOM 271 C GLY A 21 -2.586 -13.796 -28.694 1.00 53.31 C ATOM 272 O GLY A 21 -3.603 -13.269 -28.242 1.00 31.24 O ATOM 0 H GLY A 21 -1.096 -11.072 -28.299 1.00 3.23 H new ATOM 0 HA2 GLY A 21 -1.158 -13.208 -30.175 1.00 40.33 H new ATOM 0 HA3 GLY A 21 -0.527 -13.234 -28.540 1.00 40.33 H new ATOM 276 N PRO A 22 -2.467 -15.125 -28.823 1.00 24.54 N ATOM 277 CA PRO A 22 -3.531 -16.057 -28.437 1.00 25.14 C ATOM 278 C PRO A 22 -3.724 -16.122 -26.925 1.00 60.14 C ATOM 279 O PRO A 22 -2.781 -15.924 -26.160 1.00 74.11 O ATOM 280 CB PRO A 22 -3.034 -17.403 -28.971 1.00 34.14 C ATOM 281 CG PRO A 22 -1.552 -17.265 -29.028 1.00 12.13 C ATOM 282 CD PRO A 22 -1.283 -15.822 -29.354 1.00 51.02 C ATOM 0 HA PRO A 22 -4.500 -15.757 -28.835 1.00 25.14 H new ATOM 0 HB2 PRO A 22 -3.330 -18.222 -28.316 1.00 34.14 H new ATOM 0 HB3 PRO A 22 -3.450 -17.616 -29.956 1.00 34.14 H new ATOM 0 HG2 PRO A 22 -1.097 -17.541 -28.077 1.00 12.13 H new ATOM 0 HG3 PRO A 22 -1.128 -17.922 -29.787 1.00 12.13 H new ATOM 0 HD2 PRO A 22 -0.365 -15.469 -28.885 1.00 51.02 H new ATOM 0 HD3 PRO A 22 -1.173 -15.666 -30.427 1.00 51.02 H new ATOM 290 N GLY A 23 -4.953 -16.402 -26.502 1.00 51.50 N ATOM 291 CA GLY A 23 -5.247 -16.488 -25.084 1.00 33.04 C ATOM 292 C GLY A 23 -6.636 -15.981 -24.747 1.00 63.15 C ATOM 293 O GLY A 23 -7.510 -15.885 -25.609 1.00 11.01 O ATOM 0 H GLY A 23 -5.750 -16.571 -27.116 1.00 51.50 H new ATOM 0 HA2 GLY A 23 -5.153 -17.524 -24.759 1.00 33.04 H new ATOM 0 HA3 GLY A 23 -4.508 -15.911 -24.527 1.00 33.04 H new ATOM 297 N PRO A 24 -6.854 -15.648 -23.467 1.00 13.22 N ATOM 298 CA PRO A 24 -5.821 -15.759 -22.433 1.00 13.44 C ATOM 299 C PRO A 24 -5.487 -17.209 -22.100 1.00 42.34 C ATOM 300 O PRO A 24 -6.378 -18.019 -21.847 1.00 72.03 O ATOM 301 CB PRO A 24 -6.454 -15.065 -21.223 1.00 71.35 C ATOM 302 CG PRO A 24 -7.923 -15.190 -21.441 1.00 24.43 C ATOM 303 CD PRO A 24 -8.127 -15.138 -22.930 1.00 1.35 C ATOM 0 HA PRO A 24 -4.877 -15.316 -22.751 1.00 13.44 H new ATOM 0 HB2 PRO A 24 -6.150 -15.540 -20.290 1.00 71.35 H new ATOM 0 HB3 PRO A 24 -6.150 -14.020 -21.162 1.00 71.35 H new ATOM 0 HG2 PRO A 24 -8.301 -16.125 -21.028 1.00 24.43 H new ATOM 0 HG3 PRO A 24 -8.461 -14.382 -20.945 1.00 24.43 H new ATOM 0 HD2 PRO A 24 -8.970 -15.754 -23.242 1.00 1.35 H new ATOM 0 HD3 PRO A 24 -8.330 -14.123 -23.273 1.00 1.35 H new ATOM 311 N SER A 25 -4.197 -17.529 -22.103 1.00 22.15 N ATOM 312 CA SER A 25 -3.745 -18.883 -21.804 1.00 61.14 C ATOM 313 C SER A 25 -4.040 -19.247 -20.353 1.00 33.15 C ATOM 314 O SER A 25 -4.314 -18.388 -19.514 1.00 33.41 O ATOM 315 CB SER A 25 -2.246 -19.016 -22.081 1.00 10.35 C ATOM 316 OG SER A 25 -1.584 -17.775 -21.908 1.00 0.32 O ATOM 0 H SER A 25 -3.447 -16.870 -22.309 1.00 22.15 H new ATOM 0 HA SER A 25 -4.289 -19.572 -22.450 1.00 61.14 H new ATOM 0 HB2 SER A 25 -1.814 -19.759 -21.411 1.00 10.35 H new ATOM 0 HB3 SER A 25 -2.091 -19.376 -23.098 1.00 10.35 H new ATOM 0 HG SER A 25 -0.627 -17.887 -22.089 1.00 0.32 H new ATOM 322 N PRO A 26 -3.984 -20.552 -20.047 1.00 63.03 N ATOM 323 CA PRO A 26 -4.241 -21.061 -18.697 1.00 74.00 C ATOM 324 C PRO A 26 -3.138 -20.683 -17.715 1.00 31.14 C ATOM 325 O PRO A 26 -3.391 -20.502 -16.524 1.00 21.11 O ATOM 326 CB PRO A 26 -4.286 -22.579 -18.893 1.00 15.54 C ATOM 327 CG PRO A 26 -3.464 -22.828 -20.109 1.00 61.32 C ATOM 328 CD PRO A 26 -3.663 -21.631 -20.997 1.00 12.12 C ATOM 0 HA PRO A 26 -5.154 -20.645 -18.272 1.00 74.00 H new ATOM 0 HB2 PRO A 26 -3.880 -23.102 -18.027 1.00 15.54 H new ATOM 0 HB3 PRO A 26 -5.309 -22.931 -19.028 1.00 15.54 H new ATOM 0 HG2 PRO A 26 -2.412 -22.951 -19.850 1.00 61.32 H new ATOM 0 HG3 PRO A 26 -3.778 -23.743 -20.611 1.00 61.32 H new ATOM 0 HD2 PRO A 26 -2.766 -21.405 -21.574 1.00 12.12 H new ATOM 0 HD3 PRO A 26 -4.470 -21.791 -21.712 1.00 12.12 H new ATOM 336 N GLN A 27 -1.915 -20.565 -18.222 1.00 33.31 N ATOM 337 CA GLN A 27 -0.774 -20.209 -17.388 1.00 2.14 C ATOM 338 C GLN A 27 -0.782 -18.719 -17.062 1.00 2.03 C ATOM 339 O GLN A 27 -0.286 -18.299 -16.016 1.00 1.31 O ATOM 340 CB GLN A 27 0.533 -20.583 -18.088 1.00 45.34 C ATOM 341 CG GLN A 27 0.615 -22.049 -18.483 1.00 54.51 C ATOM 342 CD GLN A 27 1.837 -22.360 -19.324 1.00 52.44 C ATOM 343 OE1 GLN A 27 2.917 -22.625 -18.796 1.00 40.13 O ATOM 344 NE2 GLN A 27 1.672 -22.329 -20.642 1.00 4.23 N ATOM 0 H GLN A 27 -1.689 -20.711 -19.206 1.00 33.31 H new ATOM 0 HA GLN A 27 -0.850 -20.767 -16.455 1.00 2.14 H new ATOM 0 HB2 GLN A 27 0.646 -19.968 -18.981 1.00 45.34 H new ATOM 0 HB3 GLN A 27 1.369 -20.346 -17.430 1.00 45.34 H new ATOM 0 HG2 GLN A 27 0.632 -22.663 -17.583 1.00 54.51 H new ATOM 0 HG3 GLN A 27 -0.282 -22.322 -19.038 1.00 54.51 H new ATOM 0 HE21 GLN A 27 0.759 -22.104 -21.036 1.00 4.23 H new ATOM 0 HE22 GLN A 27 2.459 -22.530 -21.259 1.00 4.23 H new ATOM 353 N CYS A 28 -1.348 -17.924 -17.964 1.00 24.21 N ATOM 354 CA CYS A 28 -1.420 -16.481 -17.774 1.00 1.43 C ATOM 355 C CYS A 28 -2.429 -16.125 -16.686 1.00 30.14 C ATOM 356 O CYS A 28 -2.118 -15.383 -15.754 1.00 13.52 O ATOM 357 CB CYS A 28 -1.803 -15.791 -19.085 1.00 2.03 C ATOM 358 SG CYS A 28 -2.739 -14.244 -18.865 1.00 74.01 S ATOM 0 H CYS A 28 -1.764 -18.256 -18.834 1.00 24.21 H new ATOM 0 HA CYS A 28 -0.436 -16.132 -17.461 1.00 1.43 H new ATOM 0 HB2 CYS A 28 -0.895 -15.577 -19.649 1.00 2.03 H new ATOM 0 HB3 CYS A 28 -2.397 -16.480 -19.686 1.00 2.03 H new ATOM 363 N CYS A 29 -3.639 -16.661 -16.811 1.00 3.34 N ATOM 364 CA CYS A 29 -4.695 -16.401 -15.839 1.00 65.24 C ATOM 365 C CYS A 29 -4.203 -16.664 -14.419 1.00 13.43 C ATOM 366 O CYS A 29 -4.615 -15.991 -13.474 1.00 62.31 O ATOM 367 CB CYS A 29 -5.916 -17.273 -16.138 1.00 10.24 C ATOM 368 SG CYS A 29 -7.066 -16.551 -17.353 1.00 24.34 S ATOM 0 H CYS A 29 -3.913 -17.278 -17.576 1.00 3.34 H new ATOM 0 HA CYS A 29 -4.978 -15.351 -15.918 1.00 65.24 H new ATOM 0 HB2 CYS A 29 -5.576 -18.241 -16.506 1.00 10.24 H new ATOM 0 HB3 CYS A 29 -6.455 -17.456 -15.208 1.00 10.24 H new ATOM 373 N GLY A 30 -3.319 -17.647 -14.276 1.00 54.30 N ATOM 374 CA GLY A 30 -2.786 -17.981 -12.968 1.00 53.23 C ATOM 375 C GLY A 30 -2.176 -16.783 -12.268 1.00 22.22 C ATOM 376 O GLY A 30 -2.392 -16.577 -11.074 1.00 45.23 O ATOM 0 H GLY A 30 -2.963 -18.218 -15.042 1.00 54.30 H new ATOM 0 HA2 GLY A 30 -3.583 -18.393 -12.349 1.00 53.23 H new ATOM 0 HA3 GLY A 30 -2.030 -18.759 -13.075 1.00 53.23 H new ATOM 380 N GLY A 31 -1.409 -15.991 -13.012 1.00 31.53 N ATOM 381 CA GLY A 31 -0.776 -14.819 -12.437 1.00 63.10 C ATOM 382 C GLY A 31 -1.751 -13.677 -12.228 1.00 25.32 C ATOM 383 O GLY A 31 -1.699 -12.986 -11.211 1.00 11.15 O ATOM 0 H GLY A 31 -1.215 -16.141 -14.002 1.00 31.53 H new ATOM 0 HA2 GLY A 31 -0.324 -15.086 -11.482 1.00 63.10 H new ATOM 0 HA3 GLY A 31 0.031 -14.488 -13.091 1.00 63.10 H new ATOM 387 N VAL A 32 -2.641 -13.477 -13.194 1.00 33.10 N ATOM 388 CA VAL A 32 -3.632 -12.411 -13.111 1.00 40.45 C ATOM 389 C VAL A 32 -4.379 -12.456 -11.783 1.00 50.03 C ATOM 390 O VAL A 32 -4.579 -11.429 -11.135 1.00 52.51 O ATOM 391 CB VAL A 32 -4.650 -12.500 -14.264 1.00 10.21 C ATOM 392 CG1 VAL A 32 -5.690 -11.396 -14.145 1.00 5.31 C ATOM 393 CG2 VAL A 32 -3.940 -12.433 -15.608 1.00 12.44 C ATOM 0 H VAL A 32 -2.696 -14.039 -14.043 1.00 33.10 H new ATOM 0 HA VAL A 32 -3.090 -11.469 -13.187 1.00 40.45 H new ATOM 0 HB VAL A 32 -5.164 -13.459 -14.198 1.00 10.21 H new ATOM 0 HG11 VAL A 32 -6.400 -11.475 -14.968 1.00 5.31 H new ATOM 0 HG12 VAL A 32 -6.220 -11.496 -13.198 1.00 5.31 H new ATOM 0 HG13 VAL A 32 -5.196 -10.425 -14.184 1.00 5.31 H new ATOM 0 HG21 VAL A 32 -4.674 -12.497 -16.411 1.00 12.44 H new ATOM 0 HG22 VAL A 32 -3.398 -11.491 -15.687 1.00 12.44 H new ATOM 0 HG23 VAL A 32 -3.238 -13.263 -15.691 1.00 12.44 H new ATOM 403 N LYS A 33 -4.789 -13.654 -11.382 1.00 74.44 N ATOM 404 CA LYS A 33 -5.513 -13.836 -10.130 1.00 34.31 C ATOM 405 C LYS A 33 -4.640 -13.460 -8.937 1.00 73.11 C ATOM 406 O LYS A 33 -5.099 -12.806 -8.001 1.00 2.45 O ATOM 407 CB LYS A 33 -5.983 -15.286 -9.994 1.00 72.54 C ATOM 408 CG LYS A 33 -6.966 -15.711 -11.072 1.00 44.23 C ATOM 409 CD LYS A 33 -6.774 -17.168 -11.459 1.00 42.43 C ATOM 410 CE LYS A 33 -7.830 -17.624 -12.454 1.00 40.33 C ATOM 411 NZ LYS A 33 -8.264 -19.025 -12.199 1.00 61.22 N ATOM 0 H LYS A 33 -4.632 -14.515 -11.907 1.00 74.44 H new ATOM 0 HA LYS A 33 -6.382 -13.179 -10.144 1.00 34.31 H new ATOM 0 HB2 LYS A 33 -5.115 -15.945 -10.025 1.00 72.54 H new ATOM 0 HB3 LYS A 33 -6.448 -15.418 -9.017 1.00 72.54 H new ATOM 0 HG2 LYS A 33 -7.985 -15.559 -10.717 1.00 44.23 H new ATOM 0 HG3 LYS A 33 -6.838 -15.080 -11.952 1.00 44.23 H new ATOM 0 HD2 LYS A 33 -5.783 -17.303 -11.891 1.00 42.43 H new ATOM 0 HD3 LYS A 33 -6.820 -17.792 -10.566 1.00 42.43 H new ATOM 0 HE2 LYS A 33 -8.693 -16.961 -12.397 1.00 40.33 H new ATOM 0 HE3 LYS A 33 -7.433 -17.545 -13.466 1.00 40.33 H new ATOM 0 HZ1 LYS A 33 -8.984 -19.298 -12.898 1.00 61.22 H new ATOM 0 HZ2 LYS A 33 -7.446 -19.662 -12.278 1.00 61.22 H new ATOM 0 HZ3 LYS A 33 -8.666 -19.095 -11.242 1.00 61.22 H new ATOM 425 N LYS A 34 -3.379 -13.877 -8.978 1.00 52.31 N ATOM 426 CA LYS A 34 -2.440 -13.582 -7.903 1.00 11.54 C ATOM 427 C LYS A 34 -2.201 -12.080 -7.786 1.00 11.42 C ATOM 428 O LYS A 34 -2.085 -11.543 -6.683 1.00 51.12 O ATOM 429 CB LYS A 34 -1.112 -14.303 -8.145 1.00 12.30 C ATOM 430 CG LYS A 34 -0.025 -13.925 -7.154 1.00 11.03 C ATOM 431 CD LYS A 34 0.986 -15.046 -6.981 1.00 42.23 C ATOM 432 CE LYS A 34 2.346 -14.510 -6.559 1.00 53.23 C ATOM 433 NZ LYS A 34 2.471 -14.420 -5.078 1.00 51.52 N ATOM 0 H LYS A 34 -2.984 -14.421 -9.745 1.00 52.31 H new ATOM 0 HA LYS A 34 -2.874 -13.937 -6.968 1.00 11.54 H new ATOM 0 HB2 LYS A 34 -1.278 -15.379 -8.096 1.00 12.30 H new ATOM 0 HB3 LYS A 34 -0.766 -14.080 -9.154 1.00 12.30 H new ATOM 0 HG2 LYS A 34 0.484 -13.024 -7.497 1.00 11.03 H new ATOM 0 HG3 LYS A 34 -0.476 -13.689 -6.190 1.00 11.03 H new ATOM 0 HD2 LYS A 34 0.624 -15.752 -6.233 1.00 42.23 H new ATOM 0 HD3 LYS A 34 1.085 -15.596 -7.917 1.00 42.23 H new ATOM 0 HE2 LYS A 34 3.130 -15.159 -6.951 1.00 53.23 H new ATOM 0 HE3 LYS A 34 2.500 -13.524 -6.997 1.00 53.23 H new ATOM 0 HZ1 LYS A 34 3.411 -14.051 -4.831 1.00 51.52 H new ATOM 0 HZ2 LYS A 34 1.739 -13.781 -4.706 1.00 51.52 H new ATOM 0 HZ3 LYS A 34 2.350 -15.365 -4.661 1.00 51.52 H new ATOM 447 N LEU A 35 -2.130 -11.406 -8.929 1.00 23.04 N ATOM 448 CA LEU A 35 -1.906 -9.965 -8.954 1.00 52.44 C ATOM 449 C LEU A 35 -3.096 -9.218 -8.360 1.00 30.33 C ATOM 450 O LEU A 35 -2.938 -8.393 -7.459 1.00 21.54 O ATOM 451 CB LEU A 35 -1.659 -9.493 -10.388 1.00 45.33 C ATOM 452 CG LEU A 35 -1.771 -7.987 -10.628 1.00 53.22 C ATOM 453 CD1 LEU A 35 -0.887 -7.223 -9.655 1.00 21.55 C ATOM 454 CD2 LEU A 35 -1.403 -7.647 -12.065 1.00 53.40 C ATOM 0 H LEU A 35 -2.224 -11.834 -9.850 1.00 23.04 H new ATOM 0 HA LEU A 35 -1.026 -9.749 -8.349 1.00 52.44 H new ATOM 0 HB2 LEU A 35 -0.662 -9.815 -10.689 1.00 45.33 H new ATOM 0 HB3 LEU A 35 -2.369 -9.999 -11.043 1.00 45.33 H new ATOM 0 HG LEU A 35 -2.805 -7.688 -10.458 1.00 53.22 H new ATOM 0 HD11 LEU A 35 -0.980 -6.153 -9.842 1.00 21.55 H new ATOM 0 HD12 LEU A 35 -1.197 -7.442 -8.633 1.00 21.55 H new ATOM 0 HD13 LEU A 35 0.151 -7.526 -9.792 1.00 21.55 H new ATOM 0 HD21 LEU A 35 -1.488 -6.571 -12.218 1.00 53.40 H new ATOM 0 HD22 LEU A 35 -0.378 -7.961 -12.262 1.00 53.40 H new ATOM 0 HD23 LEU A 35 -2.079 -8.165 -12.746 1.00 53.40 H new ATOM 466 N LEU A 36 -4.287 -9.514 -8.868 1.00 32.33 N ATOM 467 CA LEU A 36 -5.506 -8.873 -8.385 1.00 65.12 C ATOM 468 C LEU A 36 -5.781 -9.251 -6.933 1.00 54.43 C ATOM 469 O LEU A 36 -6.253 -8.430 -6.147 1.00 54.12 O ATOM 470 CB LEU A 36 -6.695 -9.269 -9.262 1.00 11.32 C ATOM 471 CG LEU A 36 -6.707 -8.691 -10.677 1.00 51.05 C ATOM 472 CD1 LEU A 36 -7.793 -9.350 -11.514 1.00 22.22 C ATOM 473 CD2 LEU A 36 -6.905 -7.183 -10.636 1.00 50.33 C ATOM 0 H LEU A 36 -4.435 -10.194 -9.614 1.00 32.33 H new ATOM 0 HA LEU A 36 -5.366 -7.793 -8.439 1.00 65.12 H new ATOM 0 HB2 LEU A 36 -6.721 -10.356 -9.335 1.00 11.32 H new ATOM 0 HB3 LEU A 36 -7.611 -8.962 -8.758 1.00 11.32 H new ATOM 0 HG LEU A 36 -5.743 -8.898 -11.141 1.00 51.05 H new ATOM 0 HD11 LEU A 36 -7.786 -8.926 -12.518 1.00 22.22 H new ATOM 0 HD12 LEU A 36 -7.607 -10.422 -11.572 1.00 22.22 H new ATOM 0 HD13 LEU A 36 -8.765 -9.175 -11.053 1.00 22.22 H new ATOM 0 HD21 LEU A 36 -6.911 -6.789 -11.652 1.00 50.33 H new ATOM 0 HD22 LEU A 36 -7.855 -6.954 -10.152 1.00 50.33 H new ATOM 0 HD23 LEU A 36 -6.092 -6.724 -10.074 1.00 50.33 H new ATOM 485 N ALA A 37 -5.481 -10.497 -6.584 1.00 75.43 N ATOM 486 CA ALA A 37 -5.693 -10.982 -5.226 1.00 70.41 C ATOM 487 C ALA A 37 -4.800 -10.245 -4.234 1.00 50.44 C ATOM 488 O ALA A 37 -5.092 -10.194 -3.040 1.00 60.50 O ATOM 489 CB ALA A 37 -5.438 -12.481 -5.155 1.00 55.21 C ATOM 0 H ALA A 37 -5.090 -11.189 -7.223 1.00 75.43 H new ATOM 0 HA ALA A 37 -6.731 -10.787 -4.955 1.00 70.41 H new ATOM 0 HB1 ALA A 37 -5.600 -12.830 -4.135 1.00 55.21 H new ATOM 0 HB2 ALA A 37 -6.121 -12.999 -5.828 1.00 55.21 H new ATOM 0 HB3 ALA A 37 -4.410 -12.690 -5.451 1.00 55.21 H new ATOM 495 N ALA A 38 -3.710 -9.674 -4.738 1.00 14.25 N ATOM 496 CA ALA A 38 -2.776 -8.938 -3.896 1.00 4.44 C ATOM 497 C ALA A 38 -3.224 -7.492 -3.711 1.00 15.01 C ATOM 498 O ALA A 38 -3.051 -6.910 -2.641 1.00 24.14 O ATOM 499 CB ALA A 38 -1.377 -8.986 -4.493 1.00 0.23 C ATOM 0 H ALA A 38 -3.453 -9.707 -5.725 1.00 14.25 H new ATOM 0 HA ALA A 38 -2.758 -9.413 -2.915 1.00 4.44 H new ATOM 0 HB1 ALA A 38 -0.689 -8.432 -3.854 1.00 0.23 H new ATOM 0 HB2 ALA A 38 -1.048 -10.023 -4.567 1.00 0.23 H new ATOM 0 HB3 ALA A 38 -1.390 -8.538 -5.486 1.00 0.23 H new ATOM 505 N ALA A 39 -3.802 -6.918 -4.761 1.00 41.31 N ATOM 506 CA ALA A 39 -4.277 -5.540 -4.714 1.00 23.43 C ATOM 507 C ALA A 39 -5.592 -5.439 -3.948 1.00 64.11 C ATOM 508 O ALA A 39 -6.637 -5.149 -4.528 1.00 11.44 O ATOM 509 CB ALA A 39 -4.440 -4.990 -6.123 1.00 13.24 C ATOM 0 H ALA A 39 -3.953 -7.386 -5.655 1.00 41.31 H new ATOM 0 HA ALA A 39 -3.533 -4.942 -4.187 1.00 23.43 H new ATOM 0 HB1 ALA A 39 -4.795 -3.961 -6.073 1.00 13.24 H new ATOM 0 HB2 ALA A 39 -3.480 -5.018 -6.638 1.00 13.24 H new ATOM 0 HB3 ALA A 39 -5.162 -5.597 -6.669 1.00 13.24 H new ATOM 515 N ASN A 40 -5.531 -5.681 -2.643 1.00 31.33 N ATOM 516 CA ASN A 40 -6.718 -5.618 -1.798 1.00 32.42 C ATOM 517 C ASN A 40 -6.818 -4.265 -1.100 1.00 75.24 C ATOM 518 O ASN A 40 -7.839 -3.941 -0.492 1.00 71.20 O ATOM 519 CB ASN A 40 -6.689 -6.740 -0.757 1.00 53.05 C ATOM 520 CG ASN A 40 -8.023 -6.914 -0.058 1.00 34.21 C ATOM 521 OD1 ASN A 40 -9.063 -6.492 -0.565 1.00 4.51 O ATOM 522 ND2 ASN A 40 -8.000 -7.539 1.114 1.00 61.24 N ATOM 0 H ASN A 40 -4.673 -5.922 -2.148 1.00 31.33 H new ATOM 0 HA ASN A 40 -7.594 -5.744 -2.435 1.00 32.42 H new ATOM 0 HB2 ASN A 40 -6.412 -7.676 -1.243 1.00 53.05 H new ATOM 0 HB3 ASN A 40 -5.919 -6.525 -0.016 1.00 53.05 H new ATOM 0 HD21 ASN A 40 -8.867 -7.686 1.631 1.00 61.24 H new ATOM 0 HD22 ASN A 40 -7.115 -7.872 1.497 1.00 61.24 H new ATOM 529 N THR A 41 -5.752 -3.477 -1.193 1.00 62.13 N ATOM 530 CA THR A 41 -5.719 -2.159 -0.572 1.00 24.44 C ATOM 531 C THR A 41 -5.836 -1.055 -1.616 1.00 74.52 C ATOM 532 O THR A 41 -5.644 -1.292 -2.809 1.00 44.44 O ATOM 533 CB THR A 41 -4.423 -1.951 0.235 1.00 61.21 C ATOM 534 OG1 THR A 41 -3.411 -2.856 -0.221 1.00 72.02 O ATOM 535 CG2 THR A 41 -4.670 -2.166 1.721 1.00 42.34 C ATOM 0 H THR A 41 -4.899 -3.729 -1.693 1.00 62.13 H new ATOM 0 HA THR A 41 -6.573 -2.107 0.104 1.00 24.44 H new ATOM 0 HB THR A 41 -4.088 -0.925 0.083 1.00 61.21 H new ATOM 0 HG1 THR A 41 -2.662 -2.854 0.411 1.00 72.02 H new ATOM 0 HG21 THR A 41 -3.741 -2.014 2.270 1.00 42.34 H new ATOM 0 HG22 THR A 41 -5.419 -1.456 2.072 1.00 42.34 H new ATOM 0 HG23 THR A 41 -5.027 -3.182 1.887 1.00 42.34 H new ATOM 543 N THR A 42 -6.154 0.153 -1.161 1.00 22.42 N ATOM 544 CA THR A 42 -6.298 1.293 -2.056 1.00 42.42 C ATOM 545 C THR A 42 -4.967 1.654 -2.706 1.00 63.30 C ATOM 546 O THR A 42 -4.853 1.760 -3.927 1.00 73.13 O ATOM 547 CB THR A 42 -6.843 2.527 -1.312 1.00 31.34 C ATOM 548 OG1 THR A 42 -8.262 2.415 -1.152 1.00 23.23 O ATOM 549 CG2 THR A 42 -6.512 3.805 -2.067 1.00 71.00 C ATOM 0 H THR A 42 -6.317 0.366 -0.177 1.00 22.42 H new ATOM 0 HA THR A 42 -7.009 1.000 -2.828 1.00 42.42 H new ATOM 0 HB THR A 42 -6.369 2.571 -0.331 1.00 31.34 H new ATOM 0 HG1 THR A 42 -8.601 3.202 -0.677 1.00 23.23 H new ATOM 0 HG21 THR A 42 -6.907 4.662 -1.522 1.00 71.00 H new ATOM 0 HG22 THR A 42 -5.430 3.902 -2.161 1.00 71.00 H new ATOM 0 HG23 THR A 42 -6.961 3.768 -3.060 1.00 71.00 H new ATOM 557 N PRO A 43 -3.933 1.846 -1.873 1.00 14.13 N ATOM 558 CA PRO A 43 -2.590 2.196 -2.345 1.00 15.33 C ATOM 559 C PRO A 43 -1.913 1.042 -3.075 1.00 73.30 C ATOM 560 O PRO A 43 -0.857 1.214 -3.683 1.00 62.32 O ATOM 561 CB PRO A 43 -1.837 2.529 -1.055 1.00 24.34 C ATOM 562 CG PRO A 43 -2.551 1.768 0.008 1.00 12.04 C ATOM 563 CD PRO A 43 -3.996 1.736 -0.406 1.00 14.03 C ATOM 0 HA PRO A 43 -2.611 3.014 -3.066 1.00 15.33 H new ATOM 0 HB2 PRO A 43 -0.790 2.232 -1.120 1.00 24.34 H new ATOM 0 HB3 PRO A 43 -1.852 3.600 -0.853 1.00 24.34 H new ATOM 0 HG2 PRO A 43 -2.150 0.759 0.102 1.00 12.04 H new ATOM 0 HG3 PRO A 43 -2.434 2.250 0.979 1.00 12.04 H new ATOM 0 HD2 PRO A 43 -4.483 0.813 -0.093 1.00 14.03 H new ATOM 0 HD3 PRO A 43 -4.559 2.559 0.035 1.00 14.03 H new ATOM 571 N ASP A 44 -2.528 -0.134 -3.011 1.00 60.22 N ATOM 572 CA ASP A 44 -1.985 -1.318 -3.668 1.00 41.52 C ATOM 573 C ASP A 44 -2.475 -1.412 -5.110 1.00 32.04 C ATOM 574 O ASP A 44 -1.733 -1.820 -6.003 1.00 5.22 O ATOM 575 CB ASP A 44 -2.378 -2.580 -2.899 1.00 2.31 C ATOM 576 CG ASP A 44 -1.346 -2.968 -1.858 1.00 14.23 C ATOM 577 OD1 ASP A 44 -0.733 -2.058 -1.261 1.00 52.44 O ATOM 578 OD2 ASP A 44 -1.153 -4.182 -1.639 1.00 11.35 O ATOM 0 H ASP A 44 -3.403 -0.293 -2.511 1.00 60.22 H new ATOM 0 HA ASP A 44 -0.898 -1.232 -3.677 1.00 41.52 H new ATOM 0 HB2 ASP A 44 -3.340 -2.420 -2.411 1.00 2.31 H new ATOM 0 HB3 ASP A 44 -2.509 -3.404 -3.601 1.00 2.31 H new ATOM 583 N ARG A 45 -3.730 -1.034 -5.328 1.00 53.43 N ATOM 584 CA ARG A 45 -4.320 -1.078 -6.661 1.00 15.03 C ATOM 585 C ARG A 45 -3.809 0.074 -7.521 1.00 24.13 C ATOM 586 O ARG A 45 -3.507 -0.107 -8.700 1.00 4.21 O ATOM 587 CB ARG A 45 -5.846 -1.020 -6.568 1.00 34.30 C ATOM 588 CG ARG A 45 -6.427 -1.942 -5.508 1.00 54.21 C ATOM 589 CD ARG A 45 -7.470 -2.880 -6.096 1.00 43.02 C ATOM 590 NE ARG A 45 -8.539 -3.175 -5.146 1.00 62.11 N ATOM 591 CZ ARG A 45 -9.694 -3.733 -5.490 1.00 14.51 C ATOM 592 NH1 ARG A 45 -9.929 -4.054 -6.755 1.00 1.13 N ATOM 593 NH2 ARG A 45 -10.618 -3.970 -4.568 1.00 33.14 N ATOM 0 H ARG A 45 -4.358 -0.694 -4.600 1.00 53.43 H new ATOM 0 HA ARG A 45 -4.026 -2.017 -7.130 1.00 15.03 H new ATOM 0 HB2 ARG A 45 -6.150 0.004 -6.352 1.00 34.30 H new ATOM 0 HB3 ARG A 45 -6.271 -1.281 -7.537 1.00 34.30 H new ATOM 0 HG2 ARG A 45 -5.626 -2.526 -5.053 1.00 54.21 H new ATOM 0 HG3 ARG A 45 -6.878 -1.347 -4.714 1.00 54.21 H new ATOM 0 HD2 ARG A 45 -7.896 -2.431 -6.993 1.00 43.02 H new ATOM 0 HD3 ARG A 45 -6.990 -3.810 -6.402 1.00 43.02 H new ATOM 0 HE ARG A 45 -8.391 -2.940 -4.165 1.00 62.11 H new ATOM 0 HH11 ARG A 45 -9.222 -3.872 -7.467 1.00 1.13 H new ATOM 0 HH12 ARG A 45 -10.817 -4.482 -7.016 1.00 1.13 H new ATOM 0 HH21 ARG A 45 -10.442 -3.724 -3.594 1.00 33.14 H new ATOM 0 HH22 ARG A 45 -11.505 -4.399 -4.833 1.00 33.14 H new ATOM 607 N GLN A 46 -3.715 1.257 -6.922 1.00 23.44 N ATOM 608 CA GLN A 46 -3.241 2.437 -7.634 1.00 3.55 C ATOM 609 C GLN A 46 -1.878 2.180 -8.269 1.00 33.23 C ATOM 610 O GLN A 46 -1.680 2.427 -9.458 1.00 12.32 O ATOM 611 CB GLN A 46 -3.155 3.632 -6.682 1.00 54.43 C ATOM 612 CG GLN A 46 -4.492 4.018 -6.069 1.00 4.04 C ATOM 613 CD GLN A 46 -4.341 4.937 -4.873 1.00 1.34 C ATOM 614 OE1 GLN A 46 -3.339 4.887 -4.159 1.00 21.03 O ATOM 615 NE2 GLN A 46 -5.338 5.785 -4.647 1.00 73.44 N ATOM 0 H GLN A 46 -3.961 1.423 -5.946 1.00 23.44 H new ATOM 0 HA GLN A 46 -3.954 2.662 -8.427 1.00 3.55 H new ATOM 0 HB2 GLN A 46 -2.452 3.399 -5.882 1.00 54.43 H new ATOM 0 HB3 GLN A 46 -2.751 4.488 -7.222 1.00 54.43 H new ATOM 0 HG2 GLN A 46 -5.106 4.509 -6.824 1.00 4.04 H new ATOM 0 HG3 GLN A 46 -5.022 3.116 -5.765 1.00 4.04 H new ATOM 0 HE21 GLN A 46 -6.150 5.793 -5.264 1.00 73.44 H new ATOM 0 HE22 GLN A 46 -5.291 6.428 -3.857 1.00 73.44 H new ATOM 624 N ALA A 47 -0.942 1.682 -7.468 1.00 31.34 N ATOM 625 CA ALA A 47 0.401 1.389 -7.952 1.00 2.10 C ATOM 626 C ALA A 47 0.379 0.273 -8.991 1.00 1.20 C ATOM 627 O ALA A 47 1.025 0.371 -10.034 1.00 74.31 O ATOM 628 CB ALA A 47 1.311 1.014 -6.791 1.00 52.33 C ATOM 0 H ALA A 47 -1.089 1.473 -6.481 1.00 31.34 H new ATOM 0 HA ALA A 47 0.792 2.287 -8.430 1.00 2.10 H new ATOM 0 HB1 ALA A 47 2.311 0.798 -7.167 1.00 52.33 H new ATOM 0 HB2 ALA A 47 1.361 1.843 -6.085 1.00 52.33 H new ATOM 0 HB3 ALA A 47 0.914 0.132 -6.288 1.00 52.33 H new ATOM 634 N ALA A 48 -0.367 -0.787 -8.698 1.00 52.23 N ATOM 635 CA ALA A 48 -0.474 -1.921 -9.608 1.00 40.41 C ATOM 636 C ALA A 48 -0.834 -1.462 -11.017 1.00 43.22 C ATOM 637 O ALA A 48 -0.141 -1.786 -11.982 1.00 52.25 O ATOM 638 CB ALA A 48 -1.506 -2.914 -9.095 1.00 1.12 C ATOM 0 H ALA A 48 -0.906 -0.884 -7.838 1.00 52.23 H new ATOM 0 HA ALA A 48 0.498 -2.413 -9.651 1.00 40.41 H new ATOM 0 HB1 ALA A 48 -1.575 -3.755 -9.784 1.00 1.12 H new ATOM 0 HB2 ALA A 48 -1.206 -3.275 -8.111 1.00 1.12 H new ATOM 0 HB3 ALA A 48 -2.477 -2.424 -9.021 1.00 1.12 H new ATOM 644 N CYS A 49 -1.921 -0.706 -11.129 1.00 32.41 N ATOM 645 CA CYS A 49 -2.374 -0.204 -12.420 1.00 53.41 C ATOM 646 C CYS A 49 -1.362 0.774 -13.009 1.00 5.32 C ATOM 647 O CYS A 49 -0.883 0.590 -14.127 1.00 22.31 O ATOM 648 CB CYS A 49 -3.735 0.480 -12.276 1.00 14.04 C ATOM 649 SG CYS A 49 -4.405 1.141 -13.836 1.00 3.14 S ATOM 0 H CYS A 49 -2.505 -0.428 -10.340 1.00 32.41 H new ATOM 0 HA CYS A 49 -2.471 -1.052 -13.098 1.00 53.41 H new ATOM 0 HB2 CYS A 49 -4.446 -0.234 -11.861 1.00 14.04 H new ATOM 0 HB3 CYS A 49 -3.646 1.295 -11.557 1.00 14.04 H new ATOM 654 N ASN A 50 -1.040 1.815 -12.247 1.00 32.10 N ATOM 655 CA ASN A 50 -0.085 2.823 -12.693 1.00 23.52 C ATOM 656 C ASN A 50 1.201 2.170 -13.193 1.00 35.13 C ATOM 657 O ASN A 50 1.884 2.707 -14.065 1.00 20.11 O ATOM 658 CB ASN A 50 0.233 3.794 -11.554 1.00 33.42 C ATOM 659 CG ASN A 50 -0.979 4.599 -11.126 1.00 30.31 C ATOM 660 OD1 ASN A 50 -1.899 4.822 -11.912 1.00 75.45 O ATOM 661 ND2 ASN A 50 -0.984 5.040 -9.873 1.00 61.43 N ATOM 0 H ASN A 50 -1.427 1.982 -11.318 1.00 32.10 H new ATOM 0 HA ASN A 50 -0.536 3.375 -13.517 1.00 23.52 H new ATOM 0 HB2 ASN A 50 0.615 3.235 -10.700 1.00 33.42 H new ATOM 0 HB3 ASN A 50 1.024 4.474 -11.870 1.00 33.42 H new ATOM 0 HD21 ASN A 50 -1.773 5.587 -9.528 1.00 61.43 H new ATOM 0 HD22 ASN A 50 -0.199 4.831 -9.256 1.00 61.43 H new ATOM 668 N CYS A 51 1.523 1.008 -12.635 1.00 24.04 N ATOM 669 CA CYS A 51 2.726 0.281 -13.023 1.00 32.44 C ATOM 670 C CYS A 51 2.583 -0.295 -14.429 1.00 23.24 C ATOM 671 O CYS A 51 3.390 -0.008 -15.314 1.00 24.52 O ATOM 672 CB CYS A 51 3.011 -0.844 -12.025 1.00 71.14 C ATOM 673 SG CYS A 51 4.080 -0.352 -10.635 1.00 40.20 S ATOM 0 H CYS A 51 0.968 0.549 -11.913 1.00 24.04 H new ATOM 0 HA CYS A 51 3.561 0.981 -13.019 1.00 32.44 H new ATOM 0 HB2 CYS A 51 2.065 -1.212 -11.629 1.00 71.14 H new ATOM 0 HB3 CYS A 51 3.480 -1.674 -12.554 1.00 71.14 H new ATOM 678 N LEU A 52 1.552 -1.108 -14.627 1.00 32.42 N ATOM 679 CA LEU A 52 1.302 -1.725 -15.925 1.00 61.11 C ATOM 680 C LEU A 52 1.008 -0.667 -16.983 1.00 50.42 C ATOM 681 O LEU A 52 1.557 -0.704 -18.085 1.00 31.44 O ATOM 682 CB LEU A 52 0.132 -2.706 -15.829 1.00 41.14 C ATOM 683 CG LEU A 52 0.276 -3.823 -14.795 1.00 55.21 C ATOM 684 CD1 LEU A 52 -0.945 -4.729 -14.816 1.00 34.43 C ATOM 685 CD2 LEU A 52 1.543 -4.626 -15.050 1.00 12.15 C ATOM 0 H LEU A 52 0.875 -1.356 -13.905 1.00 32.42 H new ATOM 0 HA LEU A 52 2.200 -2.268 -16.220 1.00 61.11 H new ATOM 0 HB2 LEU A 52 -0.772 -2.141 -15.601 1.00 41.14 H new ATOM 0 HB3 LEU A 52 -0.016 -3.161 -16.808 1.00 41.14 H new ATOM 0 HG LEU A 52 0.350 -3.370 -13.806 1.00 55.21 H new ATOM 0 HD11 LEU A 52 -0.825 -5.518 -14.074 1.00 34.43 H new ATOM 0 HD12 LEU A 52 -1.836 -4.145 -14.584 1.00 34.43 H new ATOM 0 HD13 LEU A 52 -1.051 -5.174 -15.805 1.00 34.43 H new ATOM 0 HD21 LEU A 52 1.629 -5.417 -14.304 1.00 12.15 H new ATOM 0 HD22 LEU A 52 1.499 -5.069 -16.045 1.00 12.15 H new ATOM 0 HD23 LEU A 52 2.410 -3.969 -14.983 1.00 12.15 H new ATOM 697 N LYS A 53 0.140 0.279 -16.641 1.00 54.11 N ATOM 698 CA LYS A 53 -0.226 1.351 -17.559 1.00 41.31 C ATOM 699 C LYS A 53 1.017 1.997 -18.164 1.00 73.44 C ATOM 700 O LYS A 53 1.187 2.015 -19.383 1.00 53.44 O ATOM 701 CB LYS A 53 -1.061 2.409 -16.834 1.00 1.01 C ATOM 702 CG LYS A 53 -2.488 2.512 -17.343 1.00 72.44 C ATOM 703 CD LYS A 53 -3.332 3.415 -16.460 1.00 32.43 C ATOM 704 CE LYS A 53 -3.123 4.882 -16.801 1.00 2.01 C ATOM 705 NZ LYS A 53 -2.064 5.502 -15.957 1.00 11.10 N ATOM 0 H LYS A 53 -0.324 0.325 -15.734 1.00 54.11 H new ATOM 0 HA LYS A 53 -0.819 0.918 -18.365 1.00 41.31 H new ATOM 0 HB2 LYS A 53 -1.080 2.178 -15.769 1.00 1.01 H new ATOM 0 HB3 LYS A 53 -0.575 3.379 -16.941 1.00 1.01 H new ATOM 0 HG2 LYS A 53 -2.485 2.899 -18.362 1.00 72.44 H new ATOM 0 HG3 LYS A 53 -2.934 1.518 -17.381 1.00 72.44 H new ATOM 0 HD2 LYS A 53 -4.385 3.160 -16.578 1.00 32.43 H new ATOM 0 HD3 LYS A 53 -3.078 3.244 -15.414 1.00 32.43 H new ATOM 0 HE2 LYS A 53 -2.851 4.975 -17.852 1.00 2.01 H new ATOM 0 HE3 LYS A 53 -4.059 5.423 -16.665 1.00 2.01 H new ATOM 0 HZ1 LYS A 53 -2.487 6.235 -15.353 1.00 11.10 H new ATOM 0 HZ2 LYS A 53 -1.624 4.773 -15.360 1.00 11.10 H new ATOM 0 HZ3 LYS A 53 -1.340 5.932 -16.568 1.00 11.10 H new ATOM 719 N SER A 54 1.883 2.523 -17.305 1.00 10.14 N ATOM 720 CA SER A 54 3.109 3.171 -17.755 1.00 41.32 C ATOM 721 C SER A 54 3.929 2.231 -18.634 1.00 2.44 C ATOM 722 O SER A 54 4.447 2.632 -19.676 1.00 32.22 O ATOM 723 CB SER A 54 3.943 3.623 -16.555 1.00 10.13 C ATOM 724 OG SER A 54 5.172 4.191 -16.972 1.00 62.04 O ATOM 0 H SER A 54 1.758 2.513 -16.293 1.00 10.14 H new ATOM 0 HA SER A 54 2.833 4.045 -18.346 1.00 41.32 H new ATOM 0 HB2 SER A 54 3.381 4.353 -15.972 1.00 10.13 H new ATOM 0 HB3 SER A 54 4.135 2.772 -15.901 1.00 10.13 H new ATOM 0 HG SER A 54 5.685 4.473 -16.186 1.00 62.04 H new ATOM 730 N ALA A 55 4.043 0.979 -18.204 1.00 73.21 N ATOM 731 CA ALA A 55 4.798 -0.019 -18.951 1.00 74.53 C ATOM 732 C ALA A 55 4.168 -0.276 -20.316 1.00 52.22 C ATOM 733 O ALA A 55 4.851 -0.669 -21.261 1.00 74.52 O ATOM 734 CB ALA A 55 4.889 -1.315 -18.158 1.00 54.22 C ATOM 0 H ALA A 55 3.622 0.632 -17.342 1.00 73.21 H new ATOM 0 HA ALA A 55 5.804 0.368 -19.111 1.00 74.53 H new ATOM 0 HB1 ALA A 55 5.456 -2.051 -18.728 1.00 54.22 H new ATOM 0 HB2 ALA A 55 5.391 -1.126 -17.209 1.00 54.22 H new ATOM 0 HB3 ALA A 55 3.886 -1.697 -17.968 1.00 54.22 H new ATOM 740 N ALA A 56 2.861 -0.051 -20.412 1.00 5.54 N ATOM 741 CA ALA A 56 2.140 -0.256 -21.661 1.00 42.05 C ATOM 742 C ALA A 56 2.435 0.862 -22.655 1.00 54.44 C ATOM 743 O ALA A 56 2.463 0.640 -23.865 1.00 70.40 O ATOM 744 CB ALA A 56 0.645 -0.351 -21.398 1.00 54.43 C ATOM 0 H ALA A 56 2.281 0.273 -19.639 1.00 5.54 H new ATOM 0 HA ALA A 56 2.481 -1.194 -22.099 1.00 42.05 H new ATOM 0 HB1 ALA A 56 0.119 -0.504 -22.340 1.00 54.43 H new ATOM 0 HB2 ALA A 56 0.446 -1.189 -20.731 1.00 54.43 H new ATOM 0 HB3 ALA A 56 0.298 0.572 -20.934 1.00 54.43 H new ATOM 750 N GLY A 57 2.653 2.067 -22.137 1.00 12.14 N ATOM 751 CA GLY A 57 2.941 3.202 -22.993 1.00 43.51 C ATOM 752 C GLY A 57 4.176 2.987 -23.846 1.00 31.33 C ATOM 753 O GLY A 57 4.328 3.607 -24.898 1.00 1.01 O ATOM 0 H GLY A 57 2.635 2.277 -21.139 1.00 12.14 H new ATOM 0 HA2 GLY A 57 2.085 3.391 -23.640 1.00 43.51 H new ATOM 0 HA3 GLY A 57 3.078 4.091 -22.378 1.00 43.51 H new ATOM 757 N SER A 58 5.061 2.106 -23.390 1.00 70.35 N ATOM 758 CA SER A 58 6.292 1.814 -24.116 1.00 74.32 C ATOM 759 C SER A 58 6.086 0.658 -25.091 1.00 3.10 C ATOM 760 O SER A 58 7.023 0.224 -25.762 1.00 22.12 O ATOM 761 CB SER A 58 7.418 1.476 -23.138 1.00 0.35 C ATOM 762 OG SER A 58 8.681 1.523 -23.778 1.00 42.00 O ATOM 0 H SER A 58 4.949 1.582 -22.522 1.00 70.35 H new ATOM 0 HA SER A 58 6.569 2.702 -24.685 1.00 74.32 H new ATOM 0 HB2 SER A 58 7.403 2.178 -22.305 1.00 0.35 H new ATOM 0 HB3 SER A 58 7.255 0.482 -22.721 1.00 0.35 H new ATOM 0 HG SER A 58 8.599 1.173 -24.690 1.00 42.00 H new ATOM 768 N ILE A 59 4.855 0.165 -25.163 1.00 55.10 N ATOM 769 CA ILE A 59 4.525 -0.939 -26.056 1.00 23.12 C ATOM 770 C ILE A 59 3.731 -0.452 -27.263 1.00 0.21 C ATOM 771 O ILE A 59 2.854 0.404 -27.140 1.00 20.14 O ATOM 772 CB ILE A 59 3.716 -2.029 -25.329 1.00 14.24 C ATOM 773 CG1 ILE A 59 4.266 -2.247 -23.918 1.00 35.34 C ATOM 774 CG2 ILE A 59 3.744 -3.327 -26.121 1.00 21.30 C ATOM 775 CD1 ILE A 59 3.539 -3.327 -23.146 1.00 41.04 C ATOM 0 H ILE A 59 4.069 0.512 -24.614 1.00 55.10 H new ATOM 0 HA ILE A 59 5.470 -1.364 -26.394 1.00 23.12 H new ATOM 0 HB ILE A 59 2.680 -1.699 -25.248 1.00 14.24 H new ATOM 0 HG12 ILE A 59 5.322 -2.508 -23.985 1.00 35.34 H new ATOM 0 HG13 ILE A 59 4.203 -1.311 -23.364 1.00 35.34 H new ATOM 0 HG21 ILE A 59 3.168 -4.087 -25.594 1.00 21.30 H new ATOM 0 HG22 ILE A 59 3.310 -3.161 -27.107 1.00 21.30 H new ATOM 0 HG23 ILE A 59 4.775 -3.664 -26.231 1.00 21.30 H new ATOM 0 HD11 ILE A 59 3.982 -3.427 -22.155 1.00 41.04 H new ATOM 0 HD12 ILE A 59 2.487 -3.059 -23.048 1.00 41.04 H new ATOM 0 HD13 ILE A 59 3.623 -4.274 -23.678 1.00 41.04 H new ATOM 787 N THR A 60 4.043 -1.004 -28.432 1.00 14.24 N ATOM 788 CA THR A 60 3.358 -0.627 -29.662 1.00 2.33 C ATOM 789 C THR A 60 2.364 -1.700 -30.089 1.00 15.02 C ATOM 790 O THR A 60 1.348 -1.405 -30.720 1.00 2.13 O ATOM 791 CB THR A 60 4.357 -0.383 -30.809 1.00 23.24 C ATOM 792 OG1 THR A 60 3.721 0.341 -31.867 1.00 73.35 O ATOM 793 CG2 THR A 60 4.900 -1.700 -31.342 1.00 73.45 C ATOM 0 H THR A 60 4.766 -1.714 -28.552 1.00 14.24 H new ATOM 0 HA THR A 60 2.822 0.299 -29.454 1.00 2.33 H new ATOM 0 HB THR A 60 5.189 0.203 -30.419 1.00 23.24 H new ATOM 0 HG1 THR A 60 4.363 0.493 -32.591 1.00 73.35 H new ATOM 0 HG21 THR A 60 5.603 -1.503 -32.151 1.00 73.45 H new ATOM 0 HG22 THR A 60 5.410 -2.234 -30.540 1.00 73.45 H new ATOM 0 HG23 THR A 60 4.077 -2.308 -31.717 1.00 73.45 H new ATOM 801 N LYS A 61 2.661 -2.947 -29.741 1.00 35.44 N ATOM 802 CA LYS A 61 1.791 -4.066 -30.086 1.00 25.12 C ATOM 803 C LYS A 61 0.802 -4.354 -28.961 1.00 50.42 C ATOM 804 O LYS A 61 0.166 -5.408 -28.935 1.00 33.13 O ATOM 805 CB LYS A 61 2.626 -5.316 -30.377 1.00 53.43 C ATOM 806 CG LYS A 61 3.512 -5.183 -31.603 1.00 43.44 C ATOM 807 CD LYS A 61 4.811 -5.954 -31.439 1.00 32.41 C ATOM 808 CE LYS A 61 4.610 -7.442 -31.685 1.00 42.23 C ATOM 809 NZ LYS A 61 4.743 -7.788 -33.128 1.00 32.05 N ATOM 0 H LYS A 61 3.498 -3.209 -29.220 1.00 35.44 H new ATOM 0 HA LYS A 61 1.229 -3.795 -30.979 1.00 25.12 H new ATOM 0 HB2 LYS A 61 3.250 -5.536 -29.510 1.00 53.43 H new ATOM 0 HB3 LYS A 61 1.957 -6.166 -30.513 1.00 53.43 H new ATOM 0 HG2 LYS A 61 2.979 -5.550 -32.480 1.00 43.44 H new ATOM 0 HG3 LYS A 61 3.733 -4.131 -31.781 1.00 43.44 H new ATOM 0 HD2 LYS A 61 5.556 -5.566 -32.134 1.00 32.41 H new ATOM 0 HD3 LYS A 61 5.203 -5.800 -30.434 1.00 32.41 H new ATOM 0 HE2 LYS A 61 5.341 -8.008 -31.107 1.00 42.23 H new ATOM 0 HE3 LYS A 61 3.623 -7.739 -31.330 1.00 42.23 H new ATOM 0 HZ1 LYS A 61 4.599 -8.810 -33.255 1.00 32.05 H new ATOM 0 HZ2 LYS A 61 4.029 -7.268 -33.677 1.00 32.05 H new ATOM 0 HZ3 LYS A 61 5.693 -7.528 -33.461 1.00 32.05 H new ATOM 823 N LEU A 62 0.676 -3.410 -28.035 1.00 13.11 N ATOM 824 CA LEU A 62 -0.238 -3.561 -26.908 1.00 73.20 C ATOM 825 C LEU A 62 -1.688 -3.589 -27.382 1.00 43.24 C ATOM 826 O LEU A 62 -2.141 -2.680 -28.077 1.00 60.42 O ATOM 827 CB LEU A 62 -0.039 -2.421 -25.907 1.00 63.45 C ATOM 828 CG LEU A 62 -1.033 -2.365 -24.747 1.00 23.51 C ATOM 829 CD1 LEU A 62 -0.674 -3.395 -23.687 1.00 30.32 C ATOM 830 CD2 LEU A 62 -1.071 -0.969 -24.145 1.00 11.55 C ATOM 0 H LEU A 62 1.195 -2.532 -28.042 1.00 13.11 H new ATOM 0 HA LEU A 62 -0.017 -4.509 -26.418 1.00 73.20 H new ATOM 0 HB2 LEU A 62 0.967 -2.499 -25.494 1.00 63.45 H new ATOM 0 HB3 LEU A 62 -0.089 -1.476 -26.448 1.00 63.45 H new ATOM 0 HG LEU A 62 -2.025 -2.600 -25.132 1.00 23.51 H new ATOM 0 HD11 LEU A 62 -1.392 -3.341 -22.869 1.00 30.32 H new ATOM 0 HD12 LEU A 62 -0.699 -4.392 -24.126 1.00 30.32 H new ATOM 0 HD13 LEU A 62 0.326 -3.191 -23.306 1.00 30.32 H new ATOM 0 HD21 LEU A 62 -1.784 -0.948 -23.321 1.00 11.55 H new ATOM 0 HD22 LEU A 62 -0.080 -0.705 -23.775 1.00 11.55 H new ATOM 0 HD23 LEU A 62 -1.376 -0.252 -24.907 1.00 11.55 H new ATOM 842 N ASN A 63 -2.410 -4.637 -27.000 1.00 12.20 N ATOM 843 CA ASN A 63 -3.809 -4.782 -27.385 1.00 14.10 C ATOM 844 C ASN A 63 -4.731 -4.487 -26.206 1.00 14.32 C ATOM 845 O ASN A 63 -5.081 -5.383 -25.436 1.00 40.45 O ATOM 846 CB ASN A 63 -4.071 -6.195 -27.911 1.00 15.35 C ATOM 847 CG ASN A 63 -3.428 -6.437 -29.262 1.00 73.33 C ATOM 848 OD1 ASN A 63 -2.212 -6.324 -29.413 1.00 3.43 O ATOM 849 ND2 ASN A 63 -4.245 -6.773 -30.254 1.00 60.21 N ATOM 0 H ASN A 63 -2.050 -5.398 -26.424 1.00 12.20 H new ATOM 0 HA ASN A 63 -4.019 -4.062 -28.176 1.00 14.10 H new ATOM 0 HB2 ASN A 63 -3.690 -6.923 -27.195 1.00 15.35 H new ATOM 0 HB3 ASN A 63 -5.146 -6.357 -27.989 1.00 15.35 H new ATOM 0 HD21 ASN A 63 -3.870 -6.949 -31.186 1.00 60.21 H new ATOM 0 HD22 ASN A 63 -5.247 -6.855 -30.084 1.00 60.21 H new ATOM 856 N THR A 64 -5.123 -3.224 -26.070 1.00 13.44 N ATOM 857 CA THR A 64 -6.004 -2.809 -24.985 1.00 30.31 C ATOM 858 C THR A 64 -7.248 -3.688 -24.921 1.00 10.04 C ATOM 859 O THR A 64 -7.846 -3.856 -23.859 1.00 74.00 O ATOM 860 CB THR A 64 -6.435 -1.339 -25.142 1.00 15.01 C ATOM 861 OG1 THR A 64 -7.265 -1.193 -26.300 1.00 10.21 O ATOM 862 CG2 THR A 64 -5.222 -0.429 -25.263 1.00 34.02 C ATOM 0 H THR A 64 -4.844 -2.470 -26.698 1.00 13.44 H new ATOM 0 HA THR A 64 -5.438 -2.916 -24.060 1.00 30.31 H new ATOM 0 HB THR A 64 -6.997 -1.051 -24.254 1.00 15.01 H new ATOM 0 HG1 THR A 64 -7.536 -0.256 -26.392 1.00 10.21 H new ATOM 0 HG21 THR A 64 -5.552 0.604 -25.373 1.00 34.02 H new ATOM 0 HG22 THR A 64 -4.608 -0.520 -24.367 1.00 34.02 H new ATOM 0 HG23 THR A 64 -4.636 -0.718 -26.136 1.00 34.02 H new ATOM 870 N ASN A 65 -7.632 -4.247 -26.064 1.00 23.02 N ATOM 871 CA ASN A 65 -8.806 -5.109 -26.137 1.00 25.43 C ATOM 872 C ASN A 65 -8.604 -6.374 -25.307 1.00 10.20 C ATOM 873 O ASN A 65 -9.505 -6.809 -24.592 1.00 33.12 O ATOM 874 CB ASN A 65 -9.101 -5.482 -27.591 1.00 41.00 C ATOM 875 CG ASN A 65 -10.041 -4.498 -28.260 1.00 72.33 C ATOM 876 OD1 ASN A 65 -11.237 -4.759 -28.396 1.00 23.41 O ATOM 877 ND2 ASN A 65 -9.504 -3.360 -28.683 1.00 4.13 N ATOM 0 H ASN A 65 -7.147 -4.118 -26.952 1.00 23.02 H new ATOM 0 HA ASN A 65 -9.655 -4.560 -25.730 1.00 25.43 H new ATOM 0 HB2 ASN A 65 -8.166 -5.524 -28.149 1.00 41.00 H new ATOM 0 HB3 ASN A 65 -9.539 -6.480 -27.626 1.00 41.00 H new ATOM 0 HD21 ASN A 65 -10.087 -2.660 -29.142 1.00 4.13 H new ATOM 0 HD22 ASN A 65 -8.508 -3.185 -28.549 1.00 4.13 H new ATOM 884 N ASN A 66 -7.414 -6.958 -25.408 1.00 55.01 N ATOM 885 CA ASN A 66 -7.094 -8.173 -24.667 1.00 50.50 C ATOM 886 C ASN A 66 -6.828 -7.859 -23.198 1.00 25.01 C ATOM 887 O ASN A 66 -6.925 -8.734 -22.338 1.00 75.23 O ATOM 888 CB ASN A 66 -5.875 -8.863 -25.282 1.00 32.41 C ATOM 889 CG ASN A 66 -6.176 -9.464 -26.642 1.00 22.15 C ATOM 890 OD1 ASN A 66 -5.304 -9.204 -27.609 1.00 63.05 O flip ATOM 891 ND2 ASN A 66 -7.180 -10.154 -26.819 1.00 11.21 N flip ATOM 0 H ASN A 66 -6.656 -6.610 -25.995 1.00 55.01 H new ATOM 0 HA ASN A 66 -7.951 -8.843 -24.727 1.00 50.50 H new ATOM 0 HB2 ASN A 66 -5.063 -8.142 -25.378 1.00 32.41 H new ATOM 0 HB3 ASN A 66 -5.527 -9.648 -24.610 1.00 32.41 H new ATOM 0 HD21 ASN A 66 -7.823 -10.327 -26.046 1.00 11.21 H new ATOM 0 HD22 ASN A 66 -7.369 -10.552 -27.739 1.00 11.21 H new ATOM 898 N ALA A 67 -6.491 -6.604 -22.918 1.00 23.31 N ATOM 899 CA ALA A 67 -6.213 -6.174 -21.553 1.00 62.22 C ATOM 900 C ALA A 67 -7.500 -6.046 -20.745 1.00 63.41 C ATOM 901 O ALA A 67 -7.530 -6.359 -19.555 1.00 50.32 O ATOM 902 CB ALA A 67 -5.458 -4.853 -21.560 1.00 22.35 C ATOM 0 H ALA A 67 -6.404 -5.867 -23.618 1.00 23.31 H new ATOM 0 HA ALA A 67 -5.591 -6.933 -21.078 1.00 62.22 H new ATOM 0 HB1 ALA A 67 -5.257 -4.543 -20.534 1.00 22.35 H new ATOM 0 HB2 ALA A 67 -4.515 -4.975 -22.094 1.00 22.35 H new ATOM 0 HB3 ALA A 67 -6.060 -4.092 -22.057 1.00 22.35 H new ATOM 908 N ALA A 68 -8.560 -5.585 -21.399 1.00 54.33 N ATOM 909 CA ALA A 68 -9.850 -5.417 -20.741 1.00 52.14 C ATOM 910 C ALA A 68 -10.541 -6.761 -20.538 1.00 15.23 C ATOM 911 O ALA A 68 -11.155 -7.002 -19.499 1.00 35.40 O ATOM 912 CB ALA A 68 -10.737 -4.482 -21.550 1.00 74.00 C ATOM 0 H ALA A 68 -8.551 -5.321 -22.384 1.00 54.33 H new ATOM 0 HA ALA A 68 -9.675 -4.976 -19.760 1.00 52.14 H new ATOM 0 HB1 ALA A 68 -11.697 -4.366 -21.047 1.00 74.00 H new ATOM 0 HB2 ALA A 68 -10.254 -3.509 -21.640 1.00 74.00 H new ATOM 0 HB3 ALA A 68 -10.896 -4.901 -22.544 1.00 74.00 H new ATOM 918 N ALA A 69 -10.438 -7.632 -21.536 1.00 41.33 N ATOM 919 CA ALA A 69 -11.052 -8.952 -21.466 1.00 11.44 C ATOM 920 C ALA A 69 -10.132 -9.949 -20.770 1.00 43.02 C ATOM 921 O ALA A 69 -10.532 -11.075 -20.472 1.00 22.12 O ATOM 922 CB ALA A 69 -11.409 -9.443 -22.861 1.00 24.34 C ATOM 0 H ALA A 69 -9.935 -7.447 -22.404 1.00 41.33 H new ATOM 0 HA ALA A 69 -11.966 -8.870 -20.878 1.00 11.44 H new ATOM 0 HB1 ALA A 69 -11.867 -10.430 -22.793 1.00 24.34 H new ATOM 0 HB2 ALA A 69 -12.111 -8.748 -23.323 1.00 24.34 H new ATOM 0 HB3 ALA A 69 -10.506 -9.503 -23.468 1.00 24.34 H new ATOM 928 N LEU A 70 -8.897 -9.529 -20.515 1.00 74.33 N ATOM 929 CA LEU A 70 -7.919 -10.387 -19.855 1.00 41.41 C ATOM 930 C LEU A 70 -8.455 -10.899 -18.523 1.00 34.54 C ATOM 931 O LEU A 70 -8.579 -12.104 -18.297 1.00 43.51 O ATOM 932 CB LEU A 70 -6.612 -9.624 -19.632 1.00 63.11 C ATOM 933 CG LEU A 70 -5.788 -10.045 -18.415 1.00 32.45 C ATOM 934 CD1 LEU A 70 -5.393 -11.510 -18.519 1.00 25.13 C ATOM 935 CD2 LEU A 70 -4.554 -9.166 -18.275 1.00 60.23 C ATOM 0 H LEU A 70 -8.550 -8.600 -20.755 1.00 74.33 H new ATOM 0 HA LEU A 70 -7.728 -11.243 -20.502 1.00 41.41 H new ATOM 0 HB2 LEU A 70 -5.993 -9.737 -20.522 1.00 63.11 H new ATOM 0 HB3 LEU A 70 -6.845 -8.563 -19.538 1.00 63.11 H new ATOM 0 HG LEU A 70 -6.402 -9.918 -17.523 1.00 32.45 H new ATOM 0 HD11 LEU A 70 -4.807 -11.792 -17.644 1.00 25.13 H new ATOM 0 HD12 LEU A 70 -6.291 -12.126 -18.568 1.00 25.13 H new ATOM 0 HD13 LEU A 70 -4.798 -11.663 -19.419 1.00 25.13 H new ATOM 0 HD21 LEU A 70 -3.980 -9.481 -17.403 1.00 60.23 H new ATOM 0 HD22 LEU A 70 -3.937 -9.260 -19.169 1.00 60.23 H new ATOM 0 HD23 LEU A 70 -4.859 -8.127 -18.152 1.00 60.23 H new ATOM 947 N PRO A 71 -8.785 -9.965 -17.618 1.00 63.50 N ATOM 948 CA PRO A 71 -9.316 -10.299 -16.293 1.00 73.13 C ATOM 949 C PRO A 71 -10.728 -10.870 -16.362 1.00 75.13 C ATOM 950 O PRO A 71 -11.144 -11.632 -15.490 1.00 63.35 O ATOM 951 CB PRO A 71 -9.319 -8.954 -15.563 1.00 4.21 C ATOM 952 CG PRO A 71 -9.407 -7.935 -16.646 1.00 52.11 C ATOM 953 CD PRO A 71 -8.664 -8.512 -17.819 1.00 42.31 C ATOM 0 HA PRO A 71 -8.722 -11.067 -15.798 1.00 73.13 H new ATOM 0 HB2 PRO A 71 -10.163 -8.877 -14.878 1.00 4.21 H new ATOM 0 HB3 PRO A 71 -8.414 -8.824 -14.970 1.00 4.21 H new ATOM 0 HG2 PRO A 71 -10.446 -7.729 -16.905 1.00 52.11 H new ATOM 0 HG3 PRO A 71 -8.964 -6.990 -16.330 1.00 52.11 H new ATOM 0 HD2 PRO A 71 -9.103 -8.199 -18.766 1.00 42.31 H new ATOM 0 HD3 PRO A 71 -7.622 -8.193 -17.831 1.00 42.31 H new ATOM 961 N GLY A 72 -11.463 -10.496 -17.406 1.00 21.41 N ATOM 962 CA GLY A 72 -12.821 -10.981 -17.569 1.00 61.52 C ATOM 963 C GLY A 72 -12.870 -12.435 -17.995 1.00 21.52 C ATOM 964 O GLY A 72 -13.680 -13.212 -17.488 1.00 24.04 O ATOM 0 H GLY A 72 -11.142 -9.866 -18.141 1.00 21.41 H new ATOM 0 HA2 GLY A 72 -13.361 -10.862 -16.630 1.00 61.52 H new ATOM 0 HA3 GLY A 72 -13.335 -10.371 -18.311 1.00 61.52 H new ATOM 968 N LYS A 73 -12.002 -12.806 -18.930 1.00 53.05 N ATOM 969 CA LYS A 73 -11.949 -14.176 -19.426 1.00 31.33 C ATOM 970 C LYS A 73 -11.408 -15.121 -18.357 1.00 14.54 C ATOM 971 O LYS A 73 -11.624 -16.331 -18.417 1.00 22.41 O ATOM 972 CB LYS A 73 -11.075 -14.254 -20.679 1.00 44.22 C ATOM 973 CG LYS A 73 -11.844 -14.044 -21.972 1.00 34.33 C ATOM 974 CD LYS A 73 -10.931 -13.585 -23.096 1.00 74.33 C ATOM 975 CE LYS A 73 -11.675 -12.714 -24.097 1.00 63.23 C ATOM 976 NZ LYS A 73 -12.280 -13.521 -25.193 1.00 34.25 N ATOM 0 H LYS A 73 -11.325 -12.176 -19.360 1.00 53.05 H new ATOM 0 HA LYS A 73 -12.964 -14.483 -19.679 1.00 31.33 H new ATOM 0 HB2 LYS A 73 -10.287 -13.504 -20.609 1.00 44.22 H new ATOM 0 HB3 LYS A 73 -10.587 -15.228 -20.711 1.00 44.22 H new ATOM 0 HG2 LYS A 73 -12.336 -14.973 -22.259 1.00 34.33 H new ATOM 0 HG3 LYS A 73 -12.628 -13.304 -21.814 1.00 34.33 H new ATOM 0 HD2 LYS A 73 -10.092 -13.028 -22.680 1.00 74.33 H new ATOM 0 HD3 LYS A 73 -10.515 -14.454 -23.606 1.00 74.33 H new ATOM 0 HE2 LYS A 73 -12.457 -12.156 -23.582 1.00 63.23 H new ATOM 0 HE3 LYS A 73 -10.989 -11.982 -24.522 1.00 63.23 H new ATOM 0 HZ1 LYS A 73 -12.778 -12.891 -25.854 1.00 34.25 H new ATOM 0 HZ2 LYS A 73 -11.531 -14.034 -25.701 1.00 34.25 H new ATOM 0 HZ3 LYS A 73 -12.954 -14.203 -24.791 1.00 34.25 H new ATOM 990 N CYS A 74 -10.707 -14.559 -17.378 1.00 24.00 N ATOM 991 CA CYS A 74 -10.136 -15.350 -16.294 1.00 62.15 C ATOM 992 C CYS A 74 -11.162 -15.578 -15.188 1.00 50.13 C ATOM 993 O CYS A 74 -10.877 -16.234 -14.188 1.00 25.23 O ATOM 994 CB CYS A 74 -8.900 -14.653 -15.723 1.00 25.32 C ATOM 995 SG CYS A 74 -7.458 -14.663 -16.837 1.00 75.02 S ATOM 0 H CYS A 74 -10.521 -13.558 -17.313 1.00 24.00 H new ATOM 0 HA CYS A 74 -9.844 -16.319 -16.699 1.00 62.15 H new ATOM 0 HB2 CYS A 74 -9.156 -13.620 -15.486 1.00 25.32 H new ATOM 0 HB3 CYS A 74 -8.625 -15.136 -14.785 1.00 25.32 H new ATOM 1000 N GLY A 75 -12.359 -15.030 -15.377 1.00 20.40 N ATOM 1001 CA GLY A 75 -13.410 -15.185 -14.388 1.00 4.11 C ATOM 1002 C GLY A 75 -13.300 -14.174 -13.263 1.00 73.43 C ATOM 1003 O GLY A 75 -13.763 -14.422 -12.150 1.00 0.45 O ATOM 0 H GLY A 75 -12.619 -14.482 -16.197 1.00 20.40 H new ATOM 0 HA2 GLY A 75 -14.380 -15.080 -14.874 1.00 4.11 H new ATOM 0 HA3 GLY A 75 -13.369 -16.192 -13.973 1.00 4.11 H new ATOM 1007 N VAL A 76 -12.685 -13.032 -13.553 1.00 61.55 N ATOM 1008 CA VAL A 76 -12.515 -11.981 -12.558 1.00 15.11 C ATOM 1009 C VAL A 76 -13.526 -10.859 -12.767 1.00 1.45 C ATOM 1010 O VAL A 76 -14.101 -10.720 -13.845 1.00 73.40 O ATOM 1011 CB VAL A 76 -11.093 -11.391 -12.601 1.00 53.01 C ATOM 1012 CG1 VAL A 76 -10.782 -10.652 -11.309 1.00 11.23 C ATOM 1013 CG2 VAL A 76 -10.070 -12.487 -12.858 1.00 0.11 C ATOM 0 H VAL A 76 -12.296 -12.811 -14.470 1.00 61.55 H new ATOM 0 HA VAL A 76 -12.680 -12.439 -11.583 1.00 15.11 H new ATOM 0 HB VAL A 76 -11.039 -10.676 -13.422 1.00 53.01 H new ATOM 0 HG11 VAL A 76 -9.773 -10.242 -11.358 1.00 11.23 H new ATOM 0 HG12 VAL A 76 -11.497 -9.841 -11.173 1.00 11.23 H new ATOM 0 HG13 VAL A 76 -10.853 -11.343 -10.469 1.00 11.23 H new ATOM 0 HG21 VAL A 76 -9.071 -12.053 -12.885 1.00 0.11 H new ATOM 0 HG22 VAL A 76 -10.122 -13.228 -12.060 1.00 0.11 H new ATOM 0 HG23 VAL A 76 -10.283 -12.967 -13.813 1.00 0.11 H new ATOM 1132 N SER A 83 -9.697 1.130 -19.218 1.00 63.40 N ATOM 1133 CA SER A 83 -9.116 2.138 -20.097 1.00 12.00 C ATOM 1134 C SER A 83 -7.910 2.802 -19.440 1.00 14.55 C ATOM 1135 O SER A 83 -7.985 3.265 -18.300 1.00 61.25 O ATOM 1136 CB SER A 83 -10.162 3.195 -20.456 1.00 73.02 C ATOM 1137 OG SER A 83 -11.373 2.591 -20.880 1.00 4.44 O ATOM 0 HA SER A 83 -8.783 1.642 -21.009 1.00 12.00 H new ATOM 0 HB2 SER A 83 -10.352 3.831 -19.592 1.00 73.02 H new ATOM 0 HB3 SER A 83 -9.777 3.839 -21.247 1.00 73.02 H new ATOM 0 HG SER A 83 -11.502 1.746 -20.401 1.00 4.44 H new ATOM 1143 N THR A 84 -6.798 2.847 -20.166 1.00 22.30 N ATOM 1144 CA THR A 84 -5.575 3.453 -19.655 1.00 21.32 C ATOM 1145 C THR A 84 -5.724 4.964 -19.523 1.00 2.03 C ATOM 1146 O THR A 84 -4.867 5.635 -18.946 1.00 53.20 O ATOM 1147 CB THR A 84 -4.372 3.145 -20.566 1.00 62.41 C ATOM 1148 OG1 THR A 84 -4.768 3.214 -21.940 1.00 62.14 O ATOM 1149 CG2 THR A 84 -3.805 1.765 -20.266 1.00 5.45 C ATOM 0 H THR A 84 -6.719 2.471 -21.111 1.00 22.30 H new ATOM 0 HA THR A 84 -5.396 3.021 -18.671 1.00 21.32 H new ATOM 0 HB THR A 84 -3.599 3.888 -20.373 1.00 62.41 H new ATOM 0 HG1 THR A 84 -3.997 3.019 -22.513 1.00 62.14 H new ATOM 0 HG21 THR A 84 -2.956 1.570 -20.922 1.00 5.45 H new ATOM 0 HG22 THR A 84 -3.478 1.724 -19.227 1.00 5.45 H new ATOM 0 HG23 THR A 84 -4.574 1.011 -20.434 1.00 5.45 H new ATOM 1157 N THR A 85 -6.818 5.496 -20.060 1.00 65.41 N ATOM 1158 CA THR A 85 -7.079 6.928 -20.002 1.00 45.35 C ATOM 1159 C THR A 85 -7.504 7.354 -18.602 1.00 22.22 C ATOM 1160 O THR A 85 -7.324 8.508 -18.210 1.00 75.43 O ATOM 1161 CB THR A 85 -8.172 7.341 -21.006 1.00 63.02 C ATOM 1162 OG1 THR A 85 -9.407 6.696 -20.677 1.00 53.34 O ATOM 1163 CG2 THR A 85 -7.767 6.978 -22.427 1.00 22.11 C ATOM 0 H THR A 85 -7.538 4.955 -20.540 1.00 65.41 H new ATOM 0 HA THR A 85 -6.147 7.429 -20.264 1.00 45.35 H new ATOM 0 HB THR A 85 -8.300 8.422 -20.947 1.00 63.02 H new ATOM 0 HG1 THR A 85 -10.097 6.965 -21.318 1.00 53.34 H new ATOM 0 HG21 THR A 85 -8.554 7.279 -23.118 1.00 22.11 H new ATOM 0 HG22 THR A 85 -6.842 7.493 -22.684 1.00 22.11 H new ATOM 0 HG23 THR A 85 -7.615 5.901 -22.498 1.00 22.11 H new ATOM 1171 N THR A 86 -8.068 6.415 -17.849 1.00 33.23 N ATOM 1172 CA THR A 86 -8.520 6.693 -16.491 1.00 63.22 C ATOM 1173 C THR A 86 -7.344 6.761 -15.524 1.00 24.42 C ATOM 1174 O THR A 86 -6.350 6.055 -15.690 1.00 21.31 O ATOM 1175 CB THR A 86 -9.513 5.623 -15.999 1.00 52.34 C ATOM 1176 OG1 THR A 86 -10.639 5.558 -16.882 1.00 12.13 O ATOM 1177 CG2 THR A 86 -9.986 5.933 -14.587 1.00 74.12 C ATOM 0 H THR A 86 -8.223 5.455 -18.157 1.00 33.23 H new ATOM 0 HA THR A 86 -9.023 7.660 -16.517 1.00 63.22 H new ATOM 0 HB THR A 86 -9.002 4.660 -15.991 1.00 52.34 H new ATOM 0 HG1 THR A 86 -11.265 4.875 -16.564 1.00 12.13 H new ATOM 0 HG21 THR A 86 -10.686 5.164 -14.261 1.00 74.12 H new ATOM 0 HG22 THR A 86 -9.130 5.954 -13.913 1.00 74.12 H new ATOM 0 HG23 THR A 86 -10.481 6.904 -14.574 1.00 74.12 H new ATOM 1185 N ASN A 87 -7.464 7.614 -14.512 1.00 42.43 N ATOM 1186 CA ASN A 87 -6.409 7.774 -13.517 1.00 75.13 C ATOM 1187 C ASN A 87 -6.557 6.747 -12.399 1.00 61.40 C ATOM 1188 O ASN A 87 -7.417 6.880 -11.527 1.00 45.35 O ATOM 1189 CB ASN A 87 -6.440 9.188 -12.934 1.00 32.25 C ATOM 1190 CG ASN A 87 -5.153 9.545 -12.215 1.00 33.31 C ATOM 1191 OD1 ASN A 87 -4.122 8.901 -12.409 1.00 42.42 O ATOM 1192 ND2 ASN A 87 -5.209 10.575 -11.379 1.00 20.23 N ATOM 0 H ASN A 87 -8.281 8.205 -14.359 1.00 42.43 H new ATOM 0 HA ASN A 87 -5.450 7.613 -14.010 1.00 75.13 H new ATOM 0 HB2 ASN A 87 -6.616 9.905 -13.736 1.00 32.25 H new ATOM 0 HB3 ASN A 87 -7.276 9.274 -12.240 1.00 32.25 H new ATOM 0 HD21 ASN A 87 -4.375 10.862 -10.866 1.00 20.23 H new ATOM 0 HD22 ASN A 87 -6.086 11.080 -11.250 1.00 20.23 H new ATOM 1199 N CYS A 88 -5.712 5.721 -12.430 1.00 12.32 N ATOM 1200 CA CYS A 88 -5.747 4.671 -11.420 1.00 20.43 C ATOM 1201 C CYS A 88 -5.191 5.175 -10.091 1.00 33.10 C ATOM 1202 O CYS A 88 -5.204 4.460 -9.090 1.00 32.01 O ATOM 1203 CB CYS A 88 -4.947 3.455 -11.891 1.00 71.40 C ATOM 1204 SG CYS A 88 -5.559 2.717 -13.440 1.00 72.21 S ATOM 0 H CYS A 88 -4.995 5.595 -13.144 1.00 12.32 H new ATOM 0 HA CYS A 88 -6.787 4.379 -11.272 1.00 20.43 H new ATOM 0 HB2 CYS A 88 -3.906 3.749 -12.027 1.00 71.40 H new ATOM 0 HB3 CYS A 88 -4.964 2.697 -11.108 1.00 71.40 H new ATOM 1209 N ASN A 89 -4.704 6.411 -10.091 1.00 11.43 N ATOM 1210 CA ASN A 89 -4.143 7.012 -8.886 1.00 35.23 C ATOM 1211 C ASN A 89 -5.250 7.489 -7.950 1.00 72.31 C ATOM 1212 O ASN A 89 -5.071 7.539 -6.733 1.00 12.24 O ATOM 1213 CB ASN A 89 -3.230 8.183 -9.252 1.00 0.30 C ATOM 1214 CG ASN A 89 -3.336 9.330 -8.265 1.00 72.21 C ATOM 1215 OD1 ASN A 89 -4.314 10.204 -8.477 1.00 1.22 O flip ATOM 1216 ND2 ASN A 89 -2.549 9.428 -7.324 1.00 25.34 N flip ATOM 0 H ASN A 89 -4.686 7.016 -10.912 1.00 11.43 H new ATOM 0 HA ASN A 89 -3.557 6.251 -8.370 1.00 35.23 H new ATOM 0 HB2 ASN A 89 -2.197 7.836 -9.292 1.00 0.30 H new ATOM 0 HB3 ASN A 89 -3.485 8.541 -10.249 1.00 0.30 H new ATOM 0 HD21 ASN A 89 -1.813 8.733 -7.200 1.00 25.34 H new ATOM 0 HD22 ASN A 89 -2.633 10.204 -6.668 1.00 25.34 H new ATOM 1223 N THR A 90 -6.396 7.838 -8.527 1.00 71.40 N ATOM 1224 CA THR A 90 -7.532 8.311 -7.746 1.00 60.21 C ATOM 1225 C THR A 90 -8.569 7.209 -7.562 1.00 15.43 C ATOM 1226 O THR A 90 -9.772 7.452 -7.666 1.00 30.42 O ATOM 1227 CB THR A 90 -8.204 9.527 -8.412 1.00 24.15 C ATOM 1228 OG1 THR A 90 -9.335 9.945 -7.640 1.00 32.31 O ATOM 1229 CG2 THR A 90 -8.645 9.193 -9.829 1.00 1.24 C ATOM 0 H THR A 90 -6.562 7.802 -9.533 1.00 71.40 H new ATOM 0 HA THR A 90 -7.144 8.608 -6.771 1.00 60.21 H new ATOM 0 HB THR A 90 -7.476 10.337 -8.457 1.00 24.15 H new ATOM 0 HG1 THR A 90 -9.982 9.211 -7.585 1.00 32.31 H new ATOM 0 HG21 THR A 90 -9.117 10.067 -10.279 1.00 1.24 H new ATOM 0 HG22 THR A 90 -7.777 8.904 -10.422 1.00 1.24 H new ATOM 0 HG23 THR A 90 -9.358 8.369 -9.803 1.00 1.24 H new ATOM 1237 N VAL A 91 -8.097 5.998 -7.287 1.00 30.35 N ATOM 1238 CA VAL A 91 -8.985 4.859 -7.086 1.00 24.54 C ATOM 1239 C VAL A 91 -8.882 4.327 -5.661 1.00 20.44 C ATOM 1240 O VAL A 91 -7.819 4.380 -5.041 1.00 35.12 O ATOM 1241 CB VAL A 91 -8.667 3.719 -8.071 1.00 63.45 C ATOM 1242 CG1 VAL A 91 -8.558 4.255 -9.491 1.00 32.32 C ATOM 1243 CG2 VAL A 91 -7.388 3.003 -7.664 1.00 4.33 C ATOM 0 H VAL A 91 -7.105 5.780 -7.198 1.00 30.35 H new ATOM 0 HA VAL A 91 -10.000 5.213 -7.267 1.00 24.54 H new ATOM 0 HB VAL A 91 -9.485 2.999 -8.041 1.00 63.45 H new ATOM 0 HG11 VAL A 91 -8.333 3.435 -10.173 1.00 32.32 H new ATOM 0 HG12 VAL A 91 -9.502 4.718 -9.779 1.00 32.32 H new ATOM 0 HG13 VAL A 91 -7.761 4.997 -9.540 1.00 32.32 H new ATOM 0 HG21 VAL A 91 -7.179 2.201 -8.372 1.00 4.33 H new ATOM 0 HG22 VAL A 91 -6.559 3.711 -7.663 1.00 4.33 H new ATOM 0 HG23 VAL A 91 -7.508 2.584 -6.665 1.00 4.33 H new