USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 456 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 14 SER OG : rot -125:sc= 0.463 USER MOD Set 1.2: A 15 THR OG1 : rot 180:sc= 0.00454 USER MOD Single : A 1 MET CE :methyl 168:sc=-0.00393 (180deg=-0.193) USER MOD Single : A 1 MET N :NH3+ 127:sc= 0.0619 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -51:sc= 0.907 USER MOD Single : A 5 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0735) USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= 1.28 (180deg=1.16) USER MOD Single : A 12 ASN : amide:sc= -0.808 X(o=-0.81,f=-0.57) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0398 USER MOD Single : A 17 THR OG1 : rot 136:sc= 0.0542 USER MOD Single : A 19 SER OG : rot 74:sc= 1 USER MOD Single : A 20 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.47) USER MOD Single : A 23 ASN : amide:sc= -0.0405 K(o=-0.041,f=-0.99) USER MOD Single : A 24 LYS NZ :NH3+ -150:sc= 1.28 (180deg=-0.843) USER MOD Single : A 25 THR OG1 : rot 122:sc= 0.416 USER MOD Single : A 32 THR OG1 : rot -26:sc= 0.803 USER MOD Single : A 34 ASN : amide:sc= -0.0496 K(o=-0.05,f=-1.4) USER MOD Single : A 41 LYS NZ :NH3+ -168:sc= 1.68 (180deg=1.46) USER MOD Single : A 44 HIS : no HD1:sc= -0.496 X(o=-0.5,f=-0.035) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 30:sc= 0.252 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.110 20.195 -7.161 1.00 0.00 N ATOM 2 CA MET A 1 -2.255 20.093 -5.967 1.00 0.00 C ATOM 3 C MET A 1 -1.608 21.449 -5.681 1.00 0.00 C ATOM 4 O MET A 1 -1.354 22.217 -6.610 1.00 0.00 O ATOM 5 CB MET A 1 -1.189 19.004 -6.179 1.00 0.00 C ATOM 6 CG MET A 1 -0.465 18.687 -4.864 1.00 0.00 C ATOM 7 SD MET A 1 -1.541 18.111 -3.522 1.00 0.00 S ATOM 8 CE MET A 1 -2.080 16.531 -4.225 1.00 0.00 C ATOM 0 H1 MET A 1 -2.846 19.454 -7.841 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.106 20.074 -6.886 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.983 21.129 -7.600 1.00 0.00 H new ATOM 0 HA MET A 1 -2.860 19.812 -5.105 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.658 18.100 -6.568 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.468 19.335 -6.926 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.291 17.926 -5.056 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.061 19.582 -4.530 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.576 15.940 -3.455 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.775 16.715 -5.044 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.214 15.985 -4.600 1.00 0.00 H new ATOM 20 N ALA A 2 -1.350 21.740 -4.398 1.00 0.00 N ATOM 21 CA ALA A 2 -0.744 23.001 -3.992 1.00 0.00 C ATOM 22 C ALA A 2 0.317 22.741 -2.925 1.00 0.00 C ATOM 23 O ALA A 2 0.057 22.902 -1.734 1.00 0.00 O ATOM 24 CB ALA A 2 -1.833 23.941 -3.465 1.00 0.00 C ATOM 0 H ALA A 2 -1.556 21.109 -3.624 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.261 23.474 -4.847 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.382 24.886 -3.160 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.566 24.125 -4.250 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.327 23.482 -2.609 1.00 0.00 H new ATOM 30 N THR A 3 1.511 22.335 -3.366 1.00 0.00 N ATOM 31 CA THR A 3 2.630 22.053 -2.472 1.00 0.00 C ATOM 32 C THR A 3 3.857 22.844 -2.932 1.00 0.00 C ATOM 33 O THR A 3 3.818 23.501 -3.971 1.00 0.00 O ATOM 34 CB THR A 3 2.923 20.546 -2.479 1.00 0.00 C ATOM 35 OG1 THR A 3 3.151 20.110 -3.804 1.00 0.00 O ATOM 36 CG2 THR A 3 1.739 19.784 -1.881 1.00 0.00 C ATOM 0 H THR A 3 1.726 22.194 -4.353 1.00 0.00 H new ATOM 0 HA THR A 3 2.380 22.354 -1.455 1.00 0.00 H new ATOM 0 HB THR A 3 3.812 20.352 -1.879 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.416 20.410 -4.378 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.953 18.715 -1.889 1.00 0.00 H new ATOM 0 HG22 THR A 3 1.575 20.114 -0.855 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.844 19.979 -2.472 1.00 0.00 H new ATOM 44 N ILE A 4 4.952 22.774 -2.155 1.00 0.00 N ATOM 45 CA ILE A 4 6.190 23.469 -2.497 1.00 0.00 C ATOM 46 C ILE A 4 6.637 23.061 -3.900 1.00 0.00 C ATOM 47 O ILE A 4 7.220 23.858 -4.626 1.00 0.00 O ATOM 48 CB ILE A 4 7.275 23.151 -1.451 1.00 0.00 C ATOM 49 CG1 ILE A 4 8.517 24.013 -1.721 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.651 21.663 -1.505 1.00 0.00 C ATOM 51 CD1 ILE A 4 9.476 23.942 -0.530 1.00 0.00 C ATOM 0 H ILE A 4 4.998 22.241 -1.287 1.00 0.00 H new ATOM 0 HA ILE A 4 6.021 24.546 -2.491 1.00 0.00 H new ATOM 0 HB ILE A 4 6.885 23.375 -0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 4 9.020 23.667 -2.624 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.220 25.047 -1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.419 21.454 -0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.769 21.057 -1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 4 8.032 21.420 -2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 4 10.353 24.557 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 4 8.973 24.310 0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.785 22.909 -0.373 1.00 0.00 H new ATOM 63 N LYS A 5 6.348 21.811 -4.276 1.00 0.00 N ATOM 64 CA LYS A 5 6.689 21.290 -5.582 1.00 0.00 C ATOM 65 C LYS A 5 5.995 22.118 -6.655 1.00 0.00 C ATOM 66 O LYS A 5 6.647 22.717 -7.503 1.00 0.00 O ATOM 67 CB LYS A 5 6.245 19.829 -5.657 1.00 0.00 C ATOM 68 CG LYS A 5 7.081 18.983 -4.692 1.00 0.00 C ATOM 69 CD LYS A 5 6.663 17.514 -4.805 1.00 0.00 C ATOM 70 CE LYS A 5 7.392 16.675 -3.749 1.00 0.00 C ATOM 71 NZ LYS A 5 8.845 16.631 -4.005 1.00 0.00 N ATOM 0 H LYS A 5 5.870 21.140 -3.675 1.00 0.00 H new ATOM 0 HA LYS A 5 7.765 21.347 -5.745 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.188 19.747 -5.405 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.360 19.456 -6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.141 19.089 -4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.941 19.334 -3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.585 17.423 -4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.894 17.138 -5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.208 17.093 -2.759 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.991 15.662 -3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.291 15.950 -3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.016 16.337 -4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.254 17.575 -3.850 1.00 0.00 H new ATOM 85 N ASP A 6 4.664 22.143 -6.610 1.00 0.00 N ATOM 86 CA ASP A 6 3.860 22.901 -7.560 1.00 0.00 C ATOM 87 C ASP A 6 4.308 24.363 -7.585 1.00 0.00 C ATOM 88 O ASP A 6 4.441 24.955 -8.655 1.00 0.00 O ATOM 89 CB ASP A 6 2.385 22.791 -7.172 1.00 0.00 C ATOM 90 CG ASP A 6 1.990 21.335 -6.978 1.00 0.00 C ATOM 91 OD1 ASP A 6 2.124 20.572 -7.964 1.00 0.00 O ATOM 92 OD2 ASP A 6 1.573 21.010 -5.846 1.00 0.00 O ATOM 0 H ASP A 6 4.116 21.638 -5.914 1.00 0.00 H new ATOM 0 HA ASP A 6 3.995 22.491 -8.561 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.202 23.349 -6.253 1.00 0.00 H new ATOM 0 HB3 ASP A 6 1.765 23.242 -7.947 1.00 0.00 H new ATOM 97 N VAL A 7 4.552 24.940 -6.404 1.00 0.00 N ATOM 98 CA VAL A 7 5.017 26.316 -6.295 1.00 0.00 C ATOM 99 C VAL A 7 6.349 26.468 -7.037 1.00 0.00 C ATOM 100 O VAL A 7 6.599 27.499 -7.659 1.00 0.00 O ATOM 101 CB VAL A 7 5.160 26.683 -4.811 1.00 0.00 C ATOM 102 CG1 VAL A 7 5.934 27.994 -4.664 1.00 0.00 C ATOM 103 CG2 VAL A 7 3.768 26.842 -4.190 1.00 0.00 C ATOM 0 H VAL A 7 4.433 24.467 -5.508 1.00 0.00 H new ATOM 0 HA VAL A 7 4.297 26.995 -6.751 1.00 0.00 H new ATOM 0 HB VAL A 7 5.705 25.889 -4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 7 6.029 28.244 -3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.926 27.882 -5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.399 28.792 -5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.867 27.103 -3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.226 27.632 -4.710 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.219 25.905 -4.282 1.00 0.00 H new ATOM 113 N ALA A 8 7.197 25.438 -6.974 1.00 0.00 N ATOM 114 CA ALA A 8 8.487 25.461 -7.640 1.00 0.00 C ATOM 115 C ALA A 8 8.300 25.438 -9.160 1.00 0.00 C ATOM 116 O ALA A 8 9.008 26.137 -9.876 1.00 0.00 O ATOM 117 CB ALA A 8 9.322 24.277 -7.173 1.00 0.00 C ATOM 0 H ALA A 8 7.005 24.576 -6.463 1.00 0.00 H new ATOM 0 HA ALA A 8 9.012 26.381 -7.382 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.290 24.295 -7.673 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.469 24.338 -6.095 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.805 23.349 -7.416 1.00 0.00 H new ATOM 123 N LYS A 9 7.337 24.641 -9.650 1.00 0.00 N ATOM 124 CA LYS A 9 7.043 24.582 -11.083 1.00 0.00 C ATOM 125 C LYS A 9 6.573 25.959 -11.537 1.00 0.00 C ATOM 126 O LYS A 9 6.952 26.425 -12.607 1.00 0.00 O ATOM 127 CB LYS A 9 5.955 23.534 -11.361 1.00 0.00 C ATOM 128 CG LYS A 9 6.388 22.146 -10.867 1.00 0.00 C ATOM 129 CD LYS A 9 5.173 21.204 -10.883 1.00 0.00 C ATOM 130 CE LYS A 9 5.346 20.095 -9.838 1.00 0.00 C ATOM 131 NZ LYS A 9 4.057 19.438 -9.541 1.00 0.00 N ATOM 0 H LYS A 9 6.754 24.033 -9.075 1.00 0.00 H new ATOM 0 HA LYS A 9 7.940 24.295 -11.632 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.028 23.827 -10.867 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.748 23.495 -12.430 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.179 21.750 -11.504 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.796 22.216 -9.859 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.264 21.769 -10.677 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.058 20.765 -11.874 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.059 19.356 -10.203 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.763 20.515 -8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.232 18.520 -9.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.499 20.041 -8.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.531 19.289 -10.426 1.00 0.00 H new ATOM 145 N ARG A 10 5.752 26.613 -10.702 1.00 0.00 N ATOM 146 CA ARG A 10 5.288 27.965 -10.972 1.00 0.00 C ATOM 147 C ARG A 10 6.501 28.884 -11.066 1.00 0.00 C ATOM 148 O ARG A 10 6.588 29.717 -11.963 1.00 0.00 O ATOM 149 CB ARG A 10 4.352 28.409 -9.847 1.00 0.00 C ATOM 150 CG ARG A 10 2.897 28.189 -10.269 1.00 0.00 C ATOM 151 CD ARG A 10 2.013 28.070 -9.027 1.00 0.00 C ATOM 152 NE ARG A 10 0.600 27.913 -9.405 1.00 0.00 N ATOM 153 CZ ARG A 10 -0.312 27.298 -8.630 1.00 0.00 C ATOM 154 NH1 ARG A 10 0.032 26.806 -7.432 1.00 0.00 N ATOM 155 NH2 ARG A 10 -1.575 27.174 -9.061 1.00 0.00 N ATOM 0 H ARG A 10 5.399 26.217 -9.831 1.00 0.00 H new ATOM 0 HA ARG A 10 4.738 28.005 -11.912 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.566 27.846 -8.939 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.519 29.461 -9.616 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.559 29.019 -10.890 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.816 27.285 -10.873 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.331 27.216 -8.429 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.131 28.957 -8.404 1.00 0.00 H new ATOM 0 HE ARG A 10 0.295 28.290 -10.302 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.992 26.896 -7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.667 26.341 -6.852 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.841 27.545 -9.973 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.270 26.709 -8.477 1.00 0.00 H new ATOM 169 N ALA A 11 7.447 28.706 -10.134 1.00 0.00 N ATOM 170 CA ALA A 11 8.693 29.461 -10.126 1.00 0.00 C ATOM 171 C ALA A 11 9.634 28.968 -11.243 1.00 0.00 C ATOM 172 O ALA A 11 10.795 29.373 -11.287 1.00 0.00 O ATOM 173 CB ALA A 11 9.364 29.316 -8.758 1.00 0.00 C ATOM 0 H ALA A 11 7.364 28.035 -9.370 1.00 0.00 H new ATOM 0 HA ALA A 11 8.475 30.513 -10.311 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.297 29.880 -8.749 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.700 29.701 -7.984 1.00 0.00 H new ATOM 0 HB3 ALA A 11 9.574 28.264 -8.565 1.00 0.00 H new ATOM 179 N ASN A 12 9.116 28.108 -12.150 1.00 0.00 N ATOM 180 CA ASN A 12 9.843 27.592 -13.297 1.00 0.00 C ATOM 181 C ASN A 12 10.850 26.533 -12.890 1.00 0.00 C ATOM 182 O ASN A 12 11.412 26.568 -11.798 1.00 0.00 O ATOM 183 CB ASN A 12 10.551 28.706 -14.067 1.00 0.00 C ATOM 184 CG ASN A 12 9.667 29.934 -14.240 1.00 0.00 C ATOM 185 OD1 ASN A 12 8.822 29.976 -15.130 1.00 0.00 O ATOM 186 ND2 ASN A 12 9.871 30.936 -13.388 1.00 0.00 N ATOM 0 H ASN A 12 8.161 27.756 -12.090 1.00 0.00 H new ATOM 0 HA ASN A 12 9.102 27.135 -13.952 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.463 28.987 -13.540 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.851 28.335 -15.047 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.313 31.787 -13.458 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.586 30.853 -12.665 1.00 0.00 H new ATOM 193 N VAL A 13 11.070 25.599 -13.814 1.00 0.00 N ATOM 194 CA VAL A 13 12.037 24.521 -13.669 1.00 0.00 C ATOM 195 C VAL A 13 11.644 23.599 -12.515 1.00 0.00 C ATOM 196 O VAL A 13 10.980 22.588 -12.741 1.00 0.00 O ATOM 197 CB VAL A 13 13.459 25.097 -13.490 1.00 0.00 C ATOM 198 CG1 VAL A 13 14.481 23.955 -13.456 1.00 0.00 C ATOM 199 CG2 VAL A 13 13.790 26.031 -14.660 1.00 0.00 C ATOM 0 H VAL A 13 10.568 25.573 -14.702 1.00 0.00 H new ATOM 0 HA VAL A 13 12.038 23.919 -14.578 1.00 0.00 H new ATOM 0 HB VAL A 13 13.501 25.653 -12.553 1.00 0.00 H new ATOM 0 HG11 VAL A 13 15.482 24.367 -13.330 1.00 0.00 H new ATOM 0 HG12 VAL A 13 14.255 23.289 -12.623 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.434 23.396 -14.391 1.00 0.00 H new ATOM 0 HG21 VAL A 13 14.794 26.435 -14.530 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.742 25.474 -15.595 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.070 26.849 -14.687 1.00 0.00 H new ATOM 209 N SER A 14 12.060 23.933 -11.287 1.00 0.00 N ATOM 210 CA SER A 14 11.798 23.096 -10.126 1.00 0.00 C ATOM 211 C SER A 14 12.282 23.800 -8.859 1.00 0.00 C ATOM 212 O SER A 14 12.511 25.012 -8.860 1.00 0.00 O ATOM 213 CB SER A 14 12.513 21.740 -10.293 1.00 0.00 C ATOM 214 OG SER A 14 12.032 20.824 -9.330 1.00 0.00 O ATOM 0 H SER A 14 12.582 24.784 -11.079 1.00 0.00 H new ATOM 0 HA SER A 14 10.726 22.921 -10.040 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.343 21.350 -11.296 1.00 0.00 H new ATOM 0 HB3 SER A 14 13.589 21.869 -10.180 1.00 0.00 H new ATOM 0 HG SER A 14 12.785 20.463 -8.817 1.00 0.00 H new ATOM 220 N THR A 15 12.437 23.023 -7.779 1.00 0.00 N ATOM 221 CA THR A 15 12.876 23.534 -6.486 1.00 0.00 C ATOM 222 C THR A 15 14.238 24.225 -6.594 1.00 0.00 C ATOM 223 O THR A 15 14.589 25.012 -5.727 1.00 0.00 O ATOM 224 CB THR A 15 12.941 22.372 -5.489 1.00 0.00 C ATOM 225 OG1 THR A 15 13.638 21.287 -6.068 1.00 0.00 O ATOM 226 CG2 THR A 15 11.525 21.925 -5.123 1.00 0.00 C ATOM 0 H THR A 15 12.259 22.019 -7.784 1.00 0.00 H new ATOM 0 HA THR A 15 12.161 24.279 -6.138 1.00 0.00 H new ATOM 0 HB THR A 15 13.461 22.702 -4.590 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.680 20.546 -5.428 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.576 21.099 -4.414 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.986 22.758 -4.671 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.002 21.599 -6.022 1.00 0.00 H new ATOM 234 N THR A 16 15.001 23.930 -7.654 1.00 0.00 N ATOM 235 CA THR A 16 16.309 24.534 -7.859 1.00 0.00 C ATOM 236 C THR A 16 16.203 26.064 -7.803 1.00 0.00 C ATOM 237 O THR A 16 16.971 26.714 -7.095 1.00 0.00 O ATOM 238 CB THR A 16 16.855 24.076 -9.217 1.00 0.00 C ATOM 239 OG1 THR A 16 16.602 22.696 -9.386 1.00 0.00 O ATOM 240 CG2 THR A 16 18.362 24.327 -9.281 1.00 0.00 C ATOM 0 H THR A 16 14.726 23.272 -8.383 1.00 0.00 H new ATOM 0 HA THR A 16 16.991 24.218 -7.070 1.00 0.00 H new ATOM 0 HB THR A 16 16.362 24.639 -10.010 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.949 22.404 -10.255 1.00 0.00 H new ATOM 0 HG21 THR A 16 18.745 24.000 -10.248 1.00 0.00 H new ATOM 0 HG22 THR A 16 18.559 25.391 -9.154 1.00 0.00 H new ATOM 0 HG23 THR A 16 18.858 23.769 -8.487 1.00 0.00 H new ATOM 248 N THR A 17 15.248 26.633 -8.549 1.00 0.00 N ATOM 249 CA THR A 17 15.054 28.075 -8.595 1.00 0.00 C ATOM 250 C THR A 17 14.678 28.605 -7.208 1.00 0.00 C ATOM 251 O THR A 17 15.201 29.627 -6.769 1.00 0.00 O ATOM 252 CB THR A 17 13.965 28.400 -9.624 1.00 0.00 C ATOM 253 OG1 THR A 17 14.275 27.765 -10.848 1.00 0.00 O ATOM 254 CG2 THR A 17 13.890 29.913 -9.841 1.00 0.00 C ATOM 0 H THR A 17 14.597 26.106 -9.131 1.00 0.00 H new ATOM 0 HA THR A 17 15.982 28.563 -8.895 1.00 0.00 H new ATOM 0 HB THR A 17 13.003 28.042 -9.256 1.00 0.00 H new ATOM 0 HG1 THR A 17 13.467 27.349 -11.215 1.00 0.00 H new ATOM 0 HG21 THR A 17 13.114 30.138 -10.573 1.00 0.00 H new ATOM 0 HG22 THR A 17 13.652 30.404 -8.898 1.00 0.00 H new ATOM 0 HG23 THR A 17 14.850 30.276 -10.207 1.00 0.00 H new ATOM 262 N VAL A 18 13.768 27.909 -6.521 1.00 0.00 N ATOM 263 CA VAL A 18 13.327 28.314 -5.195 1.00 0.00 C ATOM 264 C VAL A 18 14.517 28.311 -4.229 1.00 0.00 C ATOM 265 O VAL A 18 14.664 29.225 -3.416 1.00 0.00 O ATOM 266 CB VAL A 18 12.221 27.361 -4.715 1.00 0.00 C ATOM 267 CG1 VAL A 18 11.780 27.745 -3.300 1.00 0.00 C ATOM 268 CG2 VAL A 18 11.017 27.448 -5.659 1.00 0.00 C ATOM 0 H VAL A 18 13.324 27.059 -6.868 1.00 0.00 H new ATOM 0 HA VAL A 18 12.923 29.326 -5.230 1.00 0.00 H new ATOM 0 HB VAL A 18 12.610 26.343 -4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.996 27.065 -2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.631 27.677 -2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.398 28.766 -3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.235 26.771 -5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.635 28.469 -5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.323 27.166 -6.666 1.00 0.00 H new ATOM 278 N SER A 19 15.364 27.281 -4.322 1.00 0.00 N ATOM 279 CA SER A 19 16.527 27.150 -3.459 1.00 0.00 C ATOM 280 C SER A 19 17.468 28.331 -3.663 1.00 0.00 C ATOM 281 O SER A 19 18.021 28.847 -2.700 1.00 0.00 O ATOM 282 CB SER A 19 17.242 25.831 -3.761 1.00 0.00 C ATOM 283 OG SER A 19 16.356 24.752 -3.555 1.00 0.00 O ATOM 0 H SER A 19 15.258 26.522 -4.996 1.00 0.00 H new ATOM 0 HA SER A 19 16.206 27.146 -2.417 1.00 0.00 H new ATOM 0 HB2 SER A 19 17.601 25.828 -4.790 1.00 0.00 H new ATOM 0 HB3 SER A 19 18.116 25.724 -3.118 1.00 0.00 H new ATOM 0 HG SER A 19 15.700 24.724 -4.283 1.00 0.00 H new ATOM 289 N HIS A 20 17.655 28.760 -4.918 1.00 0.00 N ATOM 290 CA HIS A 20 18.537 29.879 -5.222 1.00 0.00 C ATOM 291 C HIS A 20 18.062 31.136 -4.495 1.00 0.00 C ATOM 292 O HIS A 20 18.877 31.891 -3.974 1.00 0.00 O ATOM 293 CB HIS A 20 18.572 30.120 -6.735 1.00 0.00 C ATOM 294 CG HIS A 20 19.243 29.003 -7.485 1.00 0.00 C ATOM 295 ND1 HIS A 20 19.403 29.018 -8.864 1.00 0.00 N ATOM 296 CD2 HIS A 20 19.806 27.823 -7.077 1.00 0.00 C ATOM 297 CE1 HIS A 20 20.041 27.875 -9.193 1.00 0.00 C ATOM 298 NE2 HIS A 20 20.316 27.100 -8.144 1.00 0.00 N ATOM 0 H HIS A 20 17.205 28.345 -5.734 1.00 0.00 H new ATOM 0 HA HIS A 20 19.544 29.640 -4.881 1.00 0.00 H new ATOM 0 HB2 HIS A 20 17.553 30.239 -7.104 1.00 0.00 H new ATOM 0 HB3 HIS A 20 19.095 31.054 -6.938 1.00 0.00 H new ATOM 0 HD2 HIS A 20 19.848 27.496 -6.049 1.00 0.00 H new ATOM 0 HE1 HIS A 20 20.303 27.614 -10.208 1.00 0.00 H new ATOM 0 HE2 HIS A 20 20.787 26.195 -8.130 1.00 0.00 H new ATOM 306 N VAL A 21 16.745 31.357 -4.470 1.00 0.00 N ATOM 307 CA VAL A 21 16.169 32.537 -3.832 1.00 0.00 C ATOM 308 C VAL A 21 16.302 32.451 -2.310 1.00 0.00 C ATOM 309 O VAL A 21 16.798 33.384 -1.682 1.00 0.00 O ATOM 310 CB VAL A 21 14.695 32.673 -4.248 1.00 0.00 C ATOM 311 CG1 VAL A 21 14.001 33.736 -3.390 1.00 0.00 C ATOM 312 CG2 VAL A 21 14.618 33.086 -5.719 1.00 0.00 C ATOM 0 H VAL A 21 16.057 30.729 -4.887 1.00 0.00 H new ATOM 0 HA VAL A 21 16.714 33.423 -4.160 1.00 0.00 H new ATOM 0 HB VAL A 21 14.196 31.714 -4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.958 33.824 -3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.051 33.446 -2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.500 34.695 -3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.574 33.183 -6.016 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.124 34.042 -5.856 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.101 32.328 -6.335 1.00 0.00 H new ATOM 322 N ILE A 22 15.850 31.342 -1.713 1.00 0.00 N ATOM 323 CA ILE A 22 15.882 31.179 -0.262 1.00 0.00 C ATOM 324 C ILE A 22 17.327 31.179 0.243 1.00 0.00 C ATOM 325 O ILE A 22 17.665 31.925 1.165 1.00 0.00 O ATOM 326 CB ILE A 22 15.160 29.877 0.128 1.00 0.00 C ATOM 327 CG1 ILE A 22 13.678 29.968 -0.273 1.00 0.00 C ATOM 328 CG2 ILE A 22 15.271 29.666 1.645 1.00 0.00 C ATOM 329 CD1 ILE A 22 12.980 28.626 -0.031 1.00 0.00 C ATOM 0 H ILE A 22 15.458 30.546 -2.216 1.00 0.00 H new ATOM 0 HA ILE A 22 15.365 32.017 0.206 1.00 0.00 H new ATOM 0 HB ILE A 22 15.622 29.037 -0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 22 13.185 30.751 0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 22 13.595 30.245 -1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 22 14.760 28.744 1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 22 16.322 29.597 1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 22 14.810 30.507 2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.932 28.704 -0.319 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.463 27.852 -0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.048 28.366 1.025 1.00 0.00 H new ATOM 341 N ASN A 23 18.174 30.336 -0.353 1.00 0.00 N ATOM 342 CA ASN A 23 19.565 30.217 0.056 1.00 0.00 C ATOM 343 C ASN A 23 20.338 31.491 -0.294 1.00 0.00 C ATOM 344 O ASN A 23 21.230 31.884 0.451 1.00 0.00 O ATOM 345 CB ASN A 23 20.189 28.999 -0.628 1.00 0.00 C ATOM 346 CG ASN A 23 21.512 28.624 0.035 1.00 0.00 C ATOM 347 OD1 ASN A 23 22.544 29.221 -0.253 1.00 0.00 O ATOM 348 ND2 ASN A 23 21.476 27.631 0.921 1.00 0.00 N ATOM 0 H ASN A 23 17.912 29.724 -1.126 1.00 0.00 H new ATOM 0 HA ASN A 23 19.614 30.084 1.137 1.00 0.00 H new ATOM 0 HB2 ASN A 23 19.500 28.156 -0.578 1.00 0.00 H new ATOM 0 HB3 ASN A 23 20.354 29.214 -1.684 1.00 0.00 H new ATOM 0 HD21 ASN A 23 22.331 27.337 1.393 1.00 0.00 H new ATOM 0 HD22 ASN A 23 20.593 27.164 1.128 1.00 0.00 H new ATOM 355 N LYS A 24 19.986 32.127 -1.425 1.00 0.00 N ATOM 356 CA LYS A 24 20.641 33.351 -1.900 1.00 0.00 C ATOM 357 C LYS A 24 22.052 33.020 -2.383 1.00 0.00 C ATOM 358 O LYS A 24 23.032 33.549 -1.860 1.00 0.00 O ATOM 359 CB LYS A 24 20.660 34.436 -0.806 1.00 0.00 C ATOM 360 CG LYS A 24 19.234 34.706 -0.309 1.00 0.00 C ATOM 361 CD LYS A 24 19.252 35.641 0.911 1.00 0.00 C ATOM 362 CE LYS A 24 20.031 35.015 2.082 1.00 0.00 C ATOM 363 NZ LYS A 24 19.755 33.572 2.223 1.00 0.00 N ATOM 0 H LYS A 24 19.236 31.802 -2.035 1.00 0.00 H new ATOM 0 HA LYS A 24 20.070 33.755 -2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 24 21.289 34.115 0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.096 35.354 -1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 24 18.644 35.154 -1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 24 18.751 33.765 -0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 24 19.707 36.593 0.636 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.230 35.854 1.224 1.00 0.00 H new ATOM 0 HE2 LYS A 24 21.099 35.166 1.928 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.767 35.527 3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.845 33.297 3.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.789 33.369 1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.436 33.031 1.652 1.00 0.00 H new ATOM 377 N THR A 25 22.144 32.141 -3.390 1.00 0.00 N ATOM 378 CA THR A 25 23.424 31.746 -3.962 1.00 0.00 C ATOM 379 C THR A 25 23.805 32.728 -5.065 1.00 0.00 C ATOM 380 O THR A 25 24.604 33.635 -4.844 1.00 0.00 O ATOM 381 CB THR A 25 23.326 30.315 -4.511 1.00 0.00 C ATOM 382 OG1 THR A 25 22.163 30.181 -5.303 1.00 0.00 O ATOM 383 CG2 THR A 25 23.261 29.320 -3.352 1.00 0.00 C ATOM 0 H THR A 25 21.337 31.691 -3.823 1.00 0.00 H new ATOM 0 HA THR A 25 24.197 31.765 -3.194 1.00 0.00 H new ATOM 0 HB THR A 25 24.206 30.111 -5.121 1.00 0.00 H new ATOM 0 HG1 THR A 25 22.414 29.899 -6.207 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.192 28.306 -3.746 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.160 29.412 -2.743 1.00 0.00 H new ATOM 0 HG23 THR A 25 22.385 29.532 -2.739 1.00 0.00 H new ATOM 391 N ARG A 26 23.223 32.543 -6.257 1.00 0.00 N ATOM 392 CA ARG A 26 23.485 33.411 -7.391 1.00 0.00 C ATOM 393 C ARG A 26 22.544 34.613 -7.352 1.00 0.00 C ATOM 394 O ARG A 26 21.529 34.591 -6.654 1.00 0.00 O ATOM 395 CB ARG A 26 23.310 32.621 -8.696 1.00 0.00 C ATOM 396 CG ARG A 26 21.903 32.003 -8.769 1.00 0.00 C ATOM 397 CD ARG A 26 21.469 31.888 -10.232 1.00 0.00 C ATOM 398 NE ARG A 26 21.204 33.217 -10.803 1.00 0.00 N ATOM 399 CZ ARG A 26 20.911 33.417 -12.099 1.00 0.00 C ATOM 400 NH1 ARG A 26 20.844 32.380 -12.944 1.00 0.00 N ATOM 401 NH2 ARG A 26 20.689 34.659 -12.542 1.00 0.00 N ATOM 0 H ARG A 26 22.563 31.790 -6.452 1.00 0.00 H new ATOM 0 HA ARG A 26 24.510 33.777 -7.342 1.00 0.00 H new ATOM 0 HB2 ARG A 26 23.469 33.279 -9.550 1.00 0.00 H new ATOM 0 HB3 ARG A 26 24.062 31.834 -8.755 1.00 0.00 H new ATOM 0 HG2 ARG A 26 21.902 31.019 -8.300 1.00 0.00 H new ATOM 0 HG3 ARG A 26 21.195 32.620 -8.216 1.00 0.00 H new ATOM 0 HD2 ARG A 26 22.247 31.388 -10.809 1.00 0.00 H new ATOM 0 HD3 ARG A 26 20.573 31.271 -10.303 1.00 0.00 H new ATOM 0 HE ARG A 26 21.245 34.027 -10.185 1.00 0.00 H new ATOM 0 HH11 ARG A 26 21.016 31.434 -12.605 1.00 0.00 H new ATOM 0 HH12 ARG A 26 20.621 32.537 -13.927 1.00 0.00 H new ATOM 0 HH21 ARG A 26 20.743 35.448 -11.897 1.00 0.00 H new ATOM 0 HH22 ARG A 26 20.466 34.818 -13.525 1.00 0.00 H new ATOM 415 N PHE A 27 22.879 35.663 -8.107 1.00 0.00 N ATOM 416 CA PHE A 27 22.060 36.861 -8.160 1.00 0.00 C ATOM 417 C PHE A 27 20.892 36.650 -9.119 1.00 0.00 C ATOM 418 O PHE A 27 21.047 36.015 -10.165 1.00 0.00 O ATOM 419 CB PHE A 27 22.915 38.048 -8.612 1.00 0.00 C ATOM 420 CG PHE A 27 22.112 39.322 -8.776 1.00 0.00 C ATOM 421 CD1 PHE A 27 21.696 40.041 -7.639 1.00 0.00 C ATOM 422 CD2 PHE A 27 21.768 39.782 -10.061 1.00 0.00 C ATOM 423 CE1 PHE A 27 20.938 41.215 -7.789 1.00 0.00 C ATOM 424 CE2 PHE A 27 21.012 40.957 -10.208 1.00 0.00 C ATOM 425 CZ PHE A 27 20.596 41.673 -9.072 1.00 0.00 C ATOM 0 H PHE A 27 23.716 35.700 -8.689 1.00 0.00 H new ATOM 0 HA PHE A 27 21.661 37.071 -7.168 1.00 0.00 H new ATOM 0 HB2 PHE A 27 23.709 38.216 -7.884 1.00 0.00 H new ATOM 0 HB3 PHE A 27 23.397 37.803 -9.559 1.00 0.00 H new ATOM 0 HD1 PHE A 27 21.959 39.690 -6.652 1.00 0.00 H new ATOM 0 HD2 PHE A 27 22.085 39.231 -10.934 1.00 0.00 H new ATOM 0 HE1 PHE A 27 20.618 41.766 -6.917 1.00 0.00 H new ATOM 0 HE2 PHE A 27 20.750 41.310 -11.194 1.00 0.00 H new ATOM 0 HZ PHE A 27 20.013 42.575 -9.186 1.00 0.00 H new ATOM 435 N VAL A 28 19.725 37.193 -8.757 1.00 0.00 N ATOM 436 CA VAL A 28 18.525 37.108 -9.576 1.00 0.00 C ATOM 437 C VAL A 28 17.783 38.435 -9.495 1.00 0.00 C ATOM 438 O VAL A 28 17.970 39.197 -8.547 1.00 0.00 O ATOM 439 CB VAL A 28 17.621 35.957 -9.091 1.00 0.00 C ATOM 440 CG1 VAL A 28 18.236 34.608 -9.476 1.00 0.00 C ATOM 441 CG2 VAL A 28 17.448 36.022 -7.567 1.00 0.00 C ATOM 0 H VAL A 28 19.592 37.704 -7.884 1.00 0.00 H new ATOM 0 HA VAL A 28 18.802 36.904 -10.610 1.00 0.00 H new ATOM 0 HB VAL A 28 16.646 36.059 -9.567 1.00 0.00 H new ATOM 0 HG11 VAL A 28 17.590 33.801 -9.129 1.00 0.00 H new ATOM 0 HG12 VAL A 28 18.338 34.551 -10.560 1.00 0.00 H new ATOM 0 HG13 VAL A 28 19.218 34.511 -9.014 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.808 35.204 -7.238 1.00 0.00 H new ATOM 0 HG22 VAL A 28 18.422 35.936 -7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 28 16.991 36.973 -7.293 1.00 0.00 H new ATOM 451 N ALA A 29 16.938 38.711 -10.490 1.00 0.00 N ATOM 452 CA ALA A 29 16.165 39.937 -10.522 1.00 0.00 C ATOM 453 C ALA A 29 15.048 39.865 -9.484 1.00 0.00 C ATOM 454 O ALA A 29 14.673 38.775 -9.041 1.00 0.00 O ATOM 455 CB ALA A 29 15.586 40.134 -11.924 1.00 0.00 C ATOM 0 H ALA A 29 16.777 38.093 -11.285 1.00 0.00 H new ATOM 0 HA ALA A 29 16.806 40.786 -10.284 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.004 41.055 -11.951 1.00 0.00 H new ATOM 0 HB2 ALA A 29 16.399 40.197 -12.648 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.942 39.291 -12.174 1.00 0.00 H new ATOM 461 N GLU A 30 14.513 41.030 -9.099 1.00 0.00 N ATOM 462 CA GLU A 30 13.429 41.100 -8.132 1.00 0.00 C ATOM 463 C GLU A 30 12.228 40.306 -8.633 1.00 0.00 C ATOM 464 O GLU A 30 11.417 39.853 -7.837 1.00 0.00 O ATOM 465 CB GLU A 30 13.044 42.564 -7.894 1.00 0.00 C ATOM 466 CG GLU A 30 14.234 43.339 -7.312 1.00 0.00 C ATOM 467 CD GLU A 30 14.720 42.706 -6.013 1.00 0.00 C ATOM 468 OE1 GLU A 30 14.173 43.079 -4.954 1.00 0.00 O ATOM 469 OE2 GLU A 30 15.633 41.857 -6.098 1.00 0.00 O ATOM 0 H GLU A 30 14.820 41.937 -9.449 1.00 0.00 H new ATOM 0 HA GLU A 30 13.760 40.665 -7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.727 43.021 -8.831 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.197 42.618 -7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.048 43.359 -8.037 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.944 44.374 -7.129 1.00 0.00 H new ATOM 476 N GLU A 31 12.125 40.130 -9.954 1.00 0.00 N ATOM 477 CA GLU A 31 11.053 39.359 -10.550 1.00 0.00 C ATOM 478 C GLU A 31 11.038 37.952 -9.955 1.00 0.00 C ATOM 479 O GLU A 31 10.003 37.492 -9.477 1.00 0.00 O ATOM 480 CB GLU A 31 11.266 39.317 -12.075 1.00 0.00 C ATOM 481 CG GLU A 31 10.255 38.368 -12.743 1.00 0.00 C ATOM 482 CD GLU A 31 10.704 36.904 -12.667 1.00 0.00 C ATOM 483 OE1 GLU A 31 11.927 36.667 -12.811 1.00 0.00 O ATOM 484 OE2 GLU A 31 9.815 36.051 -12.465 1.00 0.00 O ATOM 0 H GLU A 31 12.783 40.519 -10.629 1.00 0.00 H new ATOM 0 HA GLU A 31 10.088 39.821 -10.340 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.159 40.320 -12.489 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.281 38.988 -12.296 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.284 38.475 -12.260 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.125 38.654 -13.787 1.00 0.00 H new ATOM 491 N THR A 32 12.189 37.269 -9.991 1.00 0.00 N ATOM 492 CA THR A 32 12.295 35.907 -9.509 1.00 0.00 C ATOM 493 C THR A 32 12.023 35.849 -8.008 1.00 0.00 C ATOM 494 O THR A 32 11.240 35.017 -7.552 1.00 0.00 O ATOM 495 CB THR A 32 13.694 35.376 -9.838 1.00 0.00 C ATOM 496 OG1 THR A 32 14.060 35.783 -11.142 1.00 0.00 O ATOM 497 CG2 THR A 32 13.700 33.847 -9.760 1.00 0.00 C ATOM 0 H THR A 32 13.062 37.652 -10.355 1.00 0.00 H new ATOM 0 HA THR A 32 11.550 35.281 -10.000 1.00 0.00 H new ATOM 0 HB THR A 32 14.408 35.776 -9.118 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.253 35.928 -11.678 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.697 33.475 -9.995 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.423 33.533 -8.754 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.984 33.443 -10.476 1.00 0.00 H new ATOM 505 N ARG A 33 12.672 36.730 -7.237 1.00 0.00 N ATOM 506 CA ARG A 33 12.504 36.755 -5.790 1.00 0.00 C ATOM 507 C ARG A 33 11.032 36.964 -5.437 1.00 0.00 C ATOM 508 O ARG A 33 10.451 36.179 -4.688 1.00 0.00 O ATOM 509 CB ARG A 33 13.372 37.869 -5.190 1.00 0.00 C ATOM 510 CG ARG A 33 14.839 37.659 -5.586 1.00 0.00 C ATOM 511 CD ARG A 33 15.764 38.217 -4.499 1.00 0.00 C ATOM 512 NE ARG A 33 15.614 39.675 -4.358 1.00 0.00 N ATOM 513 CZ ARG A 33 15.952 40.341 -3.240 1.00 0.00 C ATOM 514 NH1 ARG A 33 16.598 39.713 -2.247 1.00 0.00 N ATOM 515 NH2 ARG A 33 15.646 41.637 -3.115 1.00 0.00 N ATOM 0 H ARG A 33 13.317 37.433 -7.597 1.00 0.00 H new ATOM 0 HA ARG A 33 12.823 35.801 -5.371 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.027 38.841 -5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.276 37.872 -4.104 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.036 36.597 -5.732 1.00 0.00 H new ATOM 0 HG3 ARG A 33 15.042 38.154 -6.536 1.00 0.00 H new ATOM 0 HD2 ARG A 33 15.542 37.734 -3.548 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.799 37.979 -4.743 1.00 0.00 H new ATOM 0 HE ARG A 33 15.236 40.204 -5.144 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.835 38.725 -2.338 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.852 40.223 -1.401 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.156 42.120 -3.868 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.902 42.142 -2.267 1.00 0.00 H new ATOM 529 N ASN A 34 10.436 38.028 -5.980 1.00 0.00 N ATOM 530 CA ASN A 34 9.047 38.372 -5.718 1.00 0.00 C ATOM 531 C ASN A 34 8.130 37.213 -6.108 1.00 0.00 C ATOM 532 O ASN A 34 7.270 36.824 -5.329 1.00 0.00 O ATOM 533 CB ASN A 34 8.694 39.639 -6.507 1.00 0.00 C ATOM 534 CG ASN A 34 7.290 40.140 -6.178 1.00 0.00 C ATOM 535 OD1 ASN A 34 6.660 39.673 -5.233 1.00 0.00 O ATOM 536 ND2 ASN A 34 6.803 41.098 -6.962 1.00 0.00 N ATOM 0 H ASN A 34 10.908 38.673 -6.614 1.00 0.00 H new ATOM 0 HA ASN A 34 8.907 38.561 -4.654 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.420 40.420 -6.283 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.765 39.434 -7.575 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.871 41.474 -6.789 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.362 41.457 -7.736 1.00 0.00 H new ATOM 543 N ALA A 35 8.313 36.667 -7.315 1.00 0.00 N ATOM 544 CA ALA A 35 7.484 35.571 -7.804 1.00 0.00 C ATOM 545 C ALA A 35 7.518 34.392 -6.829 1.00 0.00 C ATOM 546 O ALA A 35 6.473 33.837 -6.493 1.00 0.00 O ATOM 547 CB ALA A 35 7.979 35.138 -9.185 1.00 0.00 C ATOM 0 H ALA A 35 9.033 36.971 -7.971 1.00 0.00 H new ATOM 0 HA ALA A 35 6.452 35.912 -7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.361 34.319 -9.553 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.914 35.979 -9.875 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.015 34.807 -9.113 1.00 0.00 H new ATOM 553 N VAL A 36 8.717 34.006 -6.380 1.00 0.00 N ATOM 554 CA VAL A 36 8.875 32.881 -5.469 1.00 0.00 C ATOM 555 C VAL A 36 8.180 33.169 -4.138 1.00 0.00 C ATOM 556 O VAL A 36 7.326 32.394 -3.713 1.00 0.00 O ATOM 557 CB VAL A 36 10.373 32.596 -5.272 1.00 0.00 C ATOM 558 CG1 VAL A 36 10.583 31.663 -4.075 1.00 0.00 C ATOM 559 CG2 VAL A 36 10.923 31.922 -6.531 1.00 0.00 C ATOM 0 H VAL A 36 9.592 34.462 -6.637 1.00 0.00 H new ATOM 0 HA VAL A 36 8.405 31.995 -5.895 1.00 0.00 H new ATOM 0 HB VAL A 36 10.893 33.536 -5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.648 31.470 -3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.189 32.133 -3.174 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.062 30.722 -4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.985 31.717 -6.399 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.391 30.986 -6.705 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.785 32.582 -7.387 1.00 0.00 H new ATOM 569 N TRP A 37 8.547 34.274 -3.477 1.00 0.00 N ATOM 570 CA TRP A 37 7.966 34.622 -2.183 1.00 0.00 C ATOM 571 C TRP A 37 6.445 34.733 -2.291 1.00 0.00 C ATOM 572 O TRP A 37 5.724 34.295 -1.392 1.00 0.00 O ATOM 573 CB TRP A 37 8.574 35.936 -1.684 1.00 0.00 C ATOM 574 CG TRP A 37 10.046 35.882 -1.398 1.00 0.00 C ATOM 575 CD1 TRP A 37 10.962 36.753 -1.854 1.00 0.00 C ATOM 576 CD2 TRP A 37 10.799 34.920 -0.590 1.00 0.00 C ATOM 577 NE1 TRP A 37 12.221 36.424 -1.412 1.00 0.00 N ATOM 578 CE2 TRP A 37 12.183 35.290 -0.622 1.00 0.00 C ATOM 579 CE3 TRP A 37 10.464 33.770 0.169 1.00 0.00 C ATOM 580 CZ2 TRP A 37 13.169 34.565 0.054 1.00 0.00 C ATOM 581 CZ3 TRP A 37 11.458 33.038 0.850 1.00 0.00 C ATOM 582 CH2 TRP A 37 12.806 33.436 0.791 1.00 0.00 C ATOM 0 H TRP A 37 9.242 34.938 -3.819 1.00 0.00 H new ATOM 0 HA TRP A 37 8.194 33.834 -1.465 1.00 0.00 H new ATOM 0 HB2 TRP A 37 8.392 36.710 -2.429 1.00 0.00 H new ATOM 0 HB3 TRP A 37 8.053 36.239 -0.776 1.00 0.00 H new ATOM 0 HD1 TRP A 37 10.738 37.600 -2.485 1.00 0.00 H new ATOM 0 HE1 TRP A 37 13.068 36.946 -1.636 1.00 0.00 H new ATOM 0 HE3 TRP A 37 9.434 33.451 0.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 14.202 34.876 0.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 11.182 32.164 1.422 1.00 0.00 H new ATOM 0 HH2 TRP A 37 13.560 32.868 1.316 1.00 0.00 H new ATOM 593 N ALA A 38 5.957 35.315 -3.386 1.00 0.00 N ATOM 594 CA ALA A 38 4.529 35.481 -3.597 1.00 0.00 C ATOM 595 C ALA A 38 3.860 34.115 -3.711 1.00 0.00 C ATOM 596 O ALA A 38 2.864 33.853 -3.046 1.00 0.00 O ATOM 597 CB ALA A 38 4.291 36.307 -4.863 1.00 0.00 C ATOM 0 H ALA A 38 6.537 35.679 -4.141 1.00 0.00 H new ATOM 0 HA ALA A 38 4.093 36.008 -2.748 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.220 36.431 -5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.757 37.286 -4.752 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.727 35.793 -5.720 1.00 0.00 H new ATOM 603 N ALA A 39 4.411 33.238 -4.554 1.00 0.00 N ATOM 604 CA ALA A 39 3.844 31.914 -4.767 1.00 0.00 C ATOM 605 C ALA A 39 4.034 31.015 -3.537 1.00 0.00 C ATOM 606 O ALA A 39 3.608 29.864 -3.558 1.00 0.00 O ATOM 607 CB ALA A 39 4.493 31.290 -6.002 1.00 0.00 C ATOM 0 H ALA A 39 5.252 33.427 -5.099 1.00 0.00 H new ATOM 0 HA ALA A 39 2.770 32.011 -4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.075 30.297 -6.170 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.299 31.918 -6.872 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.569 31.209 -5.846 1.00 0.00 H new ATOM 613 N ILE A 40 4.662 31.529 -2.471 1.00 0.00 N ATOM 614 CA ILE A 40 4.868 30.762 -1.251 1.00 0.00 C ATOM 615 C ILE A 40 3.865 31.203 -0.183 1.00 0.00 C ATOM 616 O ILE A 40 3.251 30.361 0.469 1.00 0.00 O ATOM 617 CB ILE A 40 6.321 30.947 -0.766 1.00 0.00 C ATOM 618 CG1 ILE A 40 7.240 30.013 -1.570 1.00 0.00 C ATOM 619 CG2 ILE A 40 6.431 30.613 0.729 1.00 0.00 C ATOM 620 CD1 ILE A 40 8.709 30.337 -1.289 1.00 0.00 C ATOM 0 H ILE A 40 5.035 32.478 -2.436 1.00 0.00 H new ATOM 0 HA ILE A 40 4.704 29.703 -1.448 1.00 0.00 H new ATOM 0 HB ILE A 40 6.620 31.984 -0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.033 28.975 -1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.035 30.119 -2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.462 30.748 1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.779 31.275 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.130 29.578 0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.346 29.667 -1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.915 31.369 -1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.913 30.207 -0.226 1.00 0.00 H new ATOM 632 N LYS A 41 3.705 32.523 0.008 1.00 0.00 N ATOM 633 CA LYS A 41 2.838 33.043 1.057 1.00 0.00 C ATOM 634 C LYS A 41 1.423 33.321 0.553 1.00 0.00 C ATOM 635 O LYS A 41 0.480 33.231 1.330 1.00 0.00 O ATOM 636 CB LYS A 41 3.449 34.327 1.629 1.00 0.00 C ATOM 637 CG LYS A 41 2.948 34.542 3.070 1.00 0.00 C ATOM 638 CD LYS A 41 2.617 36.025 3.319 1.00 0.00 C ATOM 639 CE LYS A 41 1.117 36.193 3.598 1.00 0.00 C ATOM 640 NZ LYS A 41 0.303 35.836 2.421 1.00 0.00 N ATOM 0 H LYS A 41 4.166 33.240 -0.552 1.00 0.00 H new ATOM 0 HA LYS A 41 2.761 32.282 1.834 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.537 34.260 1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.176 35.180 1.007 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.062 33.932 3.246 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.708 34.211 3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.196 36.397 4.164 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.902 36.620 2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.831 35.566 4.443 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.913 37.225 3.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.677 36.150 2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.692 36.301 1.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.320 34.805 2.287 1.00 0.00 H new ATOM 654 N GLU A 42 1.262 33.676 -0.729 1.00 0.00 N ATOM 655 CA GLU A 42 -0.057 34.004 -1.264 1.00 0.00 C ATOM 656 C GLU A 42 -0.773 32.742 -1.735 1.00 0.00 C ATOM 657 O GLU A 42 -1.999 32.671 -1.693 1.00 0.00 O ATOM 658 CB GLU A 42 0.072 35.008 -2.418 1.00 0.00 C ATOM 659 CG GLU A 42 0.929 36.213 -1.996 1.00 0.00 C ATOM 660 CD GLU A 42 0.436 36.825 -0.692 1.00 0.00 C ATOM 661 OE1 GLU A 42 -0.785 37.075 -0.601 1.00 0.00 O ATOM 662 OE2 GLU A 42 1.289 37.028 0.198 1.00 0.00 O ATOM 0 H GLU A 42 2.023 33.742 -1.405 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.649 34.459 -0.470 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.522 34.520 -3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.918 35.348 -2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.967 35.899 -1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.909 36.967 -2.783 1.00 0.00 H new ATOM 669 N LEU A 43 -0.010 31.748 -2.190 1.00 0.00 N ATOM 670 CA LEU A 43 -0.578 30.501 -2.680 1.00 0.00 C ATOM 671 C LEU A 43 -1.088 29.652 -1.511 1.00 0.00 C ATOM 672 O LEU A 43 -2.027 28.879 -1.679 1.00 0.00 O ATOM 673 CB LEU A 43 0.496 29.745 -3.485 1.00 0.00 C ATOM 674 CG LEU A 43 -0.080 29.116 -4.772 1.00 0.00 C ATOM 675 CD1 LEU A 43 -1.301 28.242 -4.455 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.471 30.210 -5.774 1.00 0.00 C ATOM 0 H LEU A 43 1.009 31.787 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.427 30.713 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.302 30.430 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.931 28.963 -2.863 1.00 0.00 H new ATOM 0 HG LEU A 43 0.693 28.487 -5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.689 27.810 -5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.009 27.442 -3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.074 28.852 -3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.875 29.750 -6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.225 30.859 -5.328 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.409 30.800 -6.031 1.00 0.00 H new ATOM 688 N HIS A 44 -0.468 29.794 -0.325 1.00 0.00 N ATOM 689 CA HIS A 44 -0.858 29.030 0.860 1.00 0.00 C ATOM 690 C HIS A 44 -0.712 27.540 0.572 1.00 0.00 C ATOM 691 O HIS A 44 -1.669 26.774 0.677 1.00 0.00 O ATOM 692 CB HIS A 44 -2.298 29.342 1.231 1.00 0.00 C ATOM 693 CG HIS A 44 -2.604 30.816 1.265 1.00 0.00 C ATOM 694 ND1 HIS A 44 -3.640 31.386 0.534 1.00 0.00 N ATOM 695 CD2 HIS A 44 -2.028 31.861 1.937 1.00 0.00 C ATOM 696 CE1 HIS A 44 -3.624 32.707 0.807 1.00 0.00 C ATOM 697 NE2 HIS A 44 -2.663 33.063 1.659 1.00 0.00 N ATOM 0 H HIS A 44 0.309 30.436 -0.168 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.212 29.306 1.693 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.962 28.858 0.515 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.514 28.911 2.209 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.183 31.762 2.602 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.323 33.409 0.376 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -2.447 33.993 2.019 1.00 0.00 H new ATOM 705 N TYR A 45 0.493 27.146 0.208 1.00 0.00 N ATOM 706 CA TYR A 45 0.806 25.756 -0.135 1.00 0.00 C ATOM 707 C TYR A 45 0.810 24.844 1.108 1.00 0.00 C ATOM 708 O TYR A 45 1.346 23.740 1.056 1.00 0.00 O ATOM 709 CB TYR A 45 2.164 25.711 -0.853 1.00 0.00 C ATOM 710 CG TYR A 45 3.361 25.707 0.083 1.00 0.00 C ATOM 711 CD1 TYR A 45 3.816 26.905 0.661 1.00 0.00 C ATOM 712 CD2 TYR A 45 4.022 24.497 0.372 1.00 0.00 C ATOM 713 CE1 TYR A 45 4.926 26.890 1.525 1.00 0.00 C ATOM 714 CE2 TYR A 45 5.130 24.484 1.230 1.00 0.00 C ATOM 715 CZ TYR A 45 5.584 25.681 1.807 1.00 0.00 C ATOM 716 OH TYR A 45 6.663 25.671 2.641 1.00 0.00 O ATOM 0 H TYR A 45 1.291 27.777 0.139 1.00 0.00 H new ATOM 0 HA TYR A 45 0.028 25.377 -0.798 1.00 0.00 H new ATOM 0 HB2 TYR A 45 2.203 24.819 -1.479 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.240 26.571 -1.519 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.314 27.836 0.442 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.673 23.575 -0.070 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.273 27.810 1.972 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.634 23.554 1.447 1.00 0.00 H new ATOM 0 HH TYR A 45 6.999 24.755 2.730 1.00 0.00 H new ATOM 726 N SER A 46 0.209 25.303 2.212 1.00 0.00 N ATOM 727 CA SER A 46 0.143 24.541 3.453 1.00 0.00 C ATOM 728 C SER A 46 1.552 24.132 3.906 1.00 0.00 C ATOM 729 O SER A 46 1.894 22.948 3.861 1.00 0.00 O ATOM 730 CB SER A 46 -0.752 23.312 3.253 1.00 0.00 C ATOM 731 OG SER A 46 -0.878 22.614 4.475 1.00 0.00 O ATOM 0 H SER A 46 -0.244 26.215 2.265 1.00 0.00 H new ATOM 0 HA SER A 46 -0.290 25.163 4.237 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.735 23.619 2.895 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.325 22.659 2.492 1.00 0.00 H new ATOM 0 HG SER A 46 -1.451 21.830 4.346 1.00 0.00 H new ATOM 737 N PRO A 47 2.375 25.105 4.353 1.00 0.00 N ATOM 738 CA PRO A 47 3.717 24.834 4.824 1.00 0.00 C ATOM 739 C PRO A 47 3.680 23.829 5.973 1.00 0.00 C ATOM 740 O PRO A 47 2.950 24.024 6.947 1.00 0.00 O ATOM 741 CB PRO A 47 4.287 26.182 5.276 1.00 0.00 C ATOM 742 CG PRO A 47 3.212 27.241 4.993 1.00 0.00 C ATOM 743 CD PRO A 47 2.002 26.504 4.416 1.00 0.00 C ATOM 0 HA PRO A 47 4.341 24.393 4.046 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.536 26.159 6.337 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.206 26.412 4.738 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.942 27.770 5.907 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.581 27.987 4.289 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.123 26.645 5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 47 1.749 26.885 3.426 1.00 0.00 H new ATOM 751 N SER A 48 4.468 22.751 5.857 1.00 0.00 N ATOM 752 CA SER A 48 4.513 21.709 6.874 1.00 0.00 C ATOM 753 C SER A 48 5.400 22.143 8.043 1.00 0.00 C ATOM 754 O SER A 48 6.321 21.425 8.426 1.00 0.00 O ATOM 755 CB SER A 48 5.043 20.420 6.241 1.00 0.00 C ATOM 756 OG SER A 48 4.286 20.113 5.088 1.00 0.00 O ATOM 0 H SER A 48 5.084 22.584 5.061 1.00 0.00 H new ATOM 0 HA SER A 48 3.510 21.533 7.264 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.094 20.538 5.978 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.983 19.600 6.957 1.00 0.00 H new ATOM 0 HG SER A 48 4.627 19.289 4.683 1.00 0.00 H new ATOM 762 N ALA A 49 5.114 23.320 8.615 1.00 0.00 N ATOM 763 CA ALA A 49 5.873 23.838 9.743 1.00 0.00 C ATOM 764 C ALA A 49 5.593 22.984 10.978 1.00 0.00 C ATOM 765 O ALA A 49 6.514 22.618 11.705 1.00 0.00 O ATOM 766 CB ALA A 49 5.481 25.295 9.990 1.00 0.00 C ATOM 0 H ALA A 49 4.356 23.929 8.307 1.00 0.00 H new ATOM 0 HA ALA A 49 6.940 23.796 9.527 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.048 25.686 10.835 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.700 25.886 9.101 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.415 25.353 10.211 1.00 0.00 H new ATOM 772 N VAL A 50 4.313 22.666 11.205 1.00 0.00 N ATOM 773 CA VAL A 50 3.903 21.846 12.336 1.00 0.00 C ATOM 774 C VAL A 50 4.363 20.403 12.117 1.00 0.00 C ATOM 775 O VAL A 50 4.640 19.689 13.078 1.00 0.00 O ATOM 776 CB VAL A 50 2.374 21.922 12.488 1.00 0.00 C ATOM 777 CG1 VAL A 50 1.932 21.107 13.708 1.00 0.00 C ATOM 778 CG2 VAL A 50 1.941 23.381 12.674 1.00 0.00 C ATOM 0 H VAL A 50 3.542 22.971 10.611 1.00 0.00 H new ATOM 0 HA VAL A 50 4.363 22.215 13.253 1.00 0.00 H new ATOM 0 HB VAL A 50 1.910 21.516 11.589 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.848 21.164 13.811 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.230 20.067 13.578 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.403 21.510 14.605 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.857 23.428 12.781 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.412 23.789 13.568 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.245 23.964 11.805 1.00 0.00 H new ATOM 788 N ALA A 51 4.439 19.980 10.842 1.00 0.00 N ATOM 789 CA ALA A 51 4.862 18.632 10.479 1.00 0.00 C ATOM 790 C ALA A 51 3.975 17.597 11.176 1.00 0.00 C ATOM 791 O ALA A 51 4.474 16.677 11.824 1.00 0.00 O ATOM 792 CB ALA A 51 6.339 18.437 10.844 1.00 0.00 C ATOM 0 H ALA A 51 4.207 20.569 10.042 1.00 0.00 H new ATOM 0 HA ALA A 51 4.755 18.494 9.403 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.651 17.429 10.571 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.946 19.163 10.304 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.471 18.580 11.917 1.00 0.00 H new ATOM 798 N ARG A 52 2.653 17.754 11.033 1.00 0.00 N ATOM 799 CA ARG A 52 1.694 16.842 11.635 1.00 0.00 C ATOM 800 C ARG A 52 0.385 16.903 10.836 1.00 0.00 C ATOM 801 O ARG A 52 0.417 16.949 9.607 1.00 0.00 O ATOM 802 CB ARG A 52 1.494 17.226 13.113 1.00 0.00 C ATOM 803 CG ARG A 52 1.030 16.004 13.919 1.00 0.00 C ATOM 804 CD ARG A 52 2.246 15.180 14.358 1.00 0.00 C ATOM 805 NE ARG A 52 1.829 13.947 15.039 1.00 0.00 N ATOM 806 CZ ARG A 52 1.395 12.851 14.388 1.00 0.00 C ATOM 807 NH1 ARG A 52 1.321 12.841 13.049 1.00 0.00 N ATOM 808 NH2 ARG A 52 1.032 11.765 15.083 1.00 0.00 N ATOM 0 H ARG A 52 2.229 18.513 10.500 1.00 0.00 H new ATOM 0 HA ARG A 52 2.056 15.814 11.607 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.426 17.611 13.526 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.757 18.025 13.192 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.463 16.327 14.792 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.362 15.390 13.315 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.854 14.931 13.488 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.871 15.774 15.025 1.00 0.00 H new ATOM 0 HE ARG A 52 1.870 13.920 16.058 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.594 13.667 12.517 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.991 12.007 12.563 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.085 11.770 16.102 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.703 10.933 14.594 1.00 0.00 H new ATOM 822 N SER A 53 -0.761 16.903 11.527 1.00 0.00 N ATOM 823 CA SER A 53 -2.059 16.952 10.874 1.00 0.00 C ATOM 824 C SER A 53 -3.100 17.468 11.862 1.00 0.00 C ATOM 825 O SER A 53 -3.207 16.949 12.972 1.00 0.00 O ATOM 826 CB SER A 53 -2.427 15.553 10.376 1.00 0.00 C ATOM 827 OG SER A 53 -2.386 14.638 11.454 1.00 0.00 O ATOM 0 H SER A 53 -0.807 16.869 12.545 1.00 0.00 H new ATOM 0 HA SER A 53 -2.025 17.628 10.019 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.423 15.564 9.933 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.734 15.241 9.594 1.00 0.00 H new ATOM 0 HG SER A 53 -2.605 15.104 12.287 1.00 0.00 H new ATOM 833 N LEU A 54 -3.864 18.492 11.457 1.00 0.00 N ATOM 834 CA LEU A 54 -4.887 19.083 12.308 1.00 0.00 C ATOM 835 C LEU A 54 -5.963 18.046 12.640 1.00 0.00 C ATOM 836 O LEU A 54 -6.419 17.978 13.777 1.00 0.00 O ATOM 837 CB LEU A 54 -5.493 20.298 11.589 1.00 0.00 C ATOM 838 CG LEU A 54 -6.383 21.099 12.555 1.00 0.00 C ATOM 839 CD1 LEU A 54 -6.149 22.597 12.341 1.00 0.00 C ATOM 840 CD2 LEU A 54 -7.857 20.777 12.295 1.00 0.00 C ATOM 0 H LEU A 54 -3.786 18.926 10.537 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.443 19.412 13.248 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.697 20.935 11.203 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.080 19.967 10.732 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.130 20.829 13.580 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.779 23.165 13.025 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.102 22.833 12.532 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.399 22.861 11.313 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.481 21.348 12.983 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.112 21.042 11.269 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.029 19.712 12.448 1.00 0.00 H new ATOM 852 N LYS A 55 -6.357 17.241 11.635 1.00 0.00 N ATOM 853 CA LYS A 55 -7.371 16.201 11.801 1.00 0.00 C ATOM 854 C LYS A 55 -8.670 16.806 12.336 1.00 0.00 C ATOM 855 O LYS A 55 -9.010 16.625 13.504 1.00 0.00 O ATOM 856 CB LYS A 55 -6.850 15.096 12.738 1.00 0.00 C ATOM 857 CG LYS A 55 -5.736 14.297 12.047 1.00 0.00 C ATOM 858 CD LYS A 55 -6.343 13.213 11.143 1.00 0.00 C ATOM 859 CE LYS A 55 -6.722 11.985 11.977 1.00 0.00 C ATOM 860 NZ LYS A 55 -7.400 10.972 11.148 1.00 0.00 N ATOM 0 H LYS A 55 -5.978 17.299 10.690 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.581 15.753 10.830 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.472 15.539 13.660 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.667 14.430 13.016 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.112 14.967 11.455 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.090 13.837 12.795 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.225 13.604 10.635 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.628 12.931 10.370 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.826 11.554 12.424 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.375 12.285 12.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.646 10.150 11.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.266 11.379 10.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.766 10.671 10.380 1.00 0.00 H new ATOM 874 N VAL A 56 -9.394 17.523 11.468 1.00 0.00 N ATOM 875 CA VAL A 56 -10.658 18.137 11.840 1.00 0.00 C ATOM 876 C VAL A 56 -11.741 17.061 11.953 1.00 0.00 C ATOM 877 O VAL A 56 -11.594 16.027 11.259 1.00 0.00 O ATOM 878 CB VAL A 56 -11.034 19.204 10.793 1.00 0.00 C ATOM 879 CG1 VAL A 56 -11.380 18.544 9.451 1.00 0.00 C ATOM 880 CG2 VAL A 56 -12.234 20.018 11.285 1.00 0.00 C ATOM 881 OXT VAL A 56 -12.629 17.238 12.817 1.00 0.00 O ATOM 0 H VAL A 56 -9.117 17.688 10.500 1.00 0.00 H new ATOM 0 HA VAL A 56 -10.566 18.625 12.810 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.178 19.864 10.652 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.643 19.313 8.724 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.519 17.982 9.089 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.224 17.868 9.585 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -12.494 20.770 10.540 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.084 19.354 11.442 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.980 20.510 12.224 1.00 0.00 H new TER 891 VAL A 56