USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 394 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 1 MET CE :methyl -154:sc= -0.927 (180deg=-2.38!) USER MOD Set 1.2: A 12 SER OG : rot -130:sc= 0.296 USER MOD Single : A 1 MET N :NH3+ -167:sc= 0 (180deg=-0.188) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 12:sc= 1 USER MOD Single : A 19 MET CE :methyl -174:sc= -5.92! (180deg=-6.08!) USER MOD Single : A 20 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.3) USER MOD Single : A 22 ASN : amide:sc= -0.673 X(o=-0.67,f=-0.3) USER MOD Single : A 31 ASN : amide:sc= -1.47 X(o=-1.5,f=-1.6!) USER MOD Single : A 34 LYS NZ :NH3+ -118:sc= 0.16 (180deg=-0.00914) USER MOD Single : A 37 SER OG : rot -53:sc= 0.659 USER MOD Single : A 40 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-0.47) USER MOD Single : A 43 SER OG : rot -59:sc= 1.14 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -58:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.400 -3.532 -4.134 1.00 0.00 N ATOM 2 CA MET A 1 10.650 -4.570 -3.100 1.00 0.00 C ATOM 3 C MET A 1 11.585 -5.656 -3.628 1.00 0.00 C ATOM 4 O MET A 1 11.258 -6.359 -4.583 1.00 0.00 O ATOM 5 CB MET A 1 9.303 -5.173 -2.681 1.00 0.00 C ATOM 6 CG MET A 1 8.912 -4.845 -1.250 1.00 0.00 C ATOM 7 SD MET A 1 7.852 -3.391 -1.134 1.00 0.00 S ATOM 8 CE MET A 1 8.859 -2.320 -0.110 1.00 0.00 C ATOM 0 H1 MET A 1 9.951 -2.704 -3.693 1.00 0.00 H new ATOM 0 H2 MET A 1 11.302 -3.248 -4.566 1.00 0.00 H new ATOM 0 H3 MET A 1 9.772 -3.917 -4.868 1.00 0.00 H new ATOM 0 HA MET A 1 11.137 -4.115 -2.238 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.526 -4.810 -3.354 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.346 -6.256 -2.799 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.397 -5.701 -0.813 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.814 -4.680 -0.660 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.217 -1.621 0.426 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.418 -2.922 0.606 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.555 -1.765 -0.739 1.00 0.00 H new ATOM 20 N ARG A 2 12.749 -5.785 -2.999 1.00 0.00 N ATOM 21 CA ARG A 2 13.730 -6.783 -3.408 1.00 0.00 C ATOM 22 C ARG A 2 13.413 -8.146 -2.800 1.00 0.00 C ATOM 23 O ARG A 2 13.351 -9.152 -3.507 1.00 0.00 O ATOM 24 CB ARG A 2 15.138 -6.344 -2.997 1.00 0.00 C ATOM 25 CG ARG A 2 16.231 -6.864 -3.921 1.00 0.00 C ATOM 26 CD ARG A 2 17.364 -7.519 -3.144 1.00 0.00 C ATOM 27 NE ARG A 2 18.463 -7.929 -4.018 1.00 0.00 N ATOM 28 CZ ARG A 2 19.391 -8.825 -3.682 1.00 0.00 C ATOM 29 NH1 ARG A 2 19.363 -9.415 -2.492 1.00 0.00 N ATOM 30 NH2 ARG A 2 20.352 -9.133 -4.542 1.00 0.00 N ATOM 0 H ARG A 2 13.035 -5.212 -2.205 1.00 0.00 H new ATOM 0 HA ARG A 2 13.685 -6.872 -4.493 1.00 0.00 H new ATOM 0 HB2 ARG A 2 15.179 -5.255 -2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 2 15.336 -6.690 -1.982 1.00 0.00 H new ATOM 0 HG2 ARG A 2 15.805 -7.585 -4.619 1.00 0.00 H new ATOM 0 HG3 ARG A 2 16.627 -6.040 -4.516 1.00 0.00 H new ATOM 0 HD2 ARG A 2 17.738 -6.823 -2.393 1.00 0.00 H new ATOM 0 HD3 ARG A 2 16.982 -8.389 -2.610 1.00 0.00 H new ATOM 0 HE ARG A 2 18.523 -7.502 -4.943 1.00 0.00 H new ATOM 0 HH11 ARG A 2 18.626 -9.184 -1.825 1.00 0.00 H new ATOM 0 HH12 ARG A 2 20.078 -10.099 -2.245 1.00 0.00 H new ATOM 0 HH21 ARG A 2 20.380 -8.685 -5.458 1.00 0.00 H new ATOM 0 HH22 ARG A 2 21.064 -9.818 -4.288 1.00 0.00 H new ATOM 44 N LYS A 3 13.213 -8.173 -1.485 1.00 0.00 N ATOM 45 CA LYS A 3 12.902 -9.416 -0.785 1.00 0.00 C ATOM 46 C LYS A 3 12.677 -9.164 0.705 1.00 0.00 C ATOM 47 O LYS A 3 13.624 -9.145 1.491 1.00 0.00 O ATOM 48 CB LYS A 3 14.030 -10.436 -0.981 1.00 0.00 C ATOM 49 CG LYS A 3 13.535 -11.837 -1.299 1.00 0.00 C ATOM 50 CD LYS A 3 14.663 -12.854 -1.241 1.00 0.00 C ATOM 51 CE LYS A 3 14.480 -13.949 -2.278 1.00 0.00 C ATOM 52 NZ LYS A 3 15.777 -14.571 -2.663 1.00 0.00 N ATOM 0 H LYS A 3 13.261 -7.350 -0.884 1.00 0.00 H new ATOM 0 HA LYS A 3 11.982 -9.819 -1.208 1.00 0.00 H new ATOM 0 HB2 LYS A 3 14.679 -10.097 -1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 3 14.638 -10.471 -0.077 1.00 0.00 H new ATOM 0 HG2 LYS A 3 12.755 -12.117 -0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 3 13.085 -11.848 -2.292 1.00 0.00 H new ATOM 0 HD2 LYS A 3 15.616 -12.351 -1.406 1.00 0.00 H new ATOM 0 HD3 LYS A 3 14.704 -13.297 -0.246 1.00 0.00 H new ATOM 0 HE2 LYS A 3 13.813 -14.715 -1.883 1.00 0.00 H new ATOM 0 HE3 LYS A 3 13.999 -13.534 -3.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 15.609 -15.313 -3.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 16.405 -13.845 -3.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 16.224 -14.990 -1.823 1.00 0.00 H new ATOM 66 N LEU A 4 11.417 -8.972 1.084 1.00 0.00 N ATOM 67 CA LEU A 4 11.066 -8.721 2.480 1.00 0.00 C ATOM 68 C LEU A 4 9.877 -9.578 2.901 1.00 0.00 C ATOM 69 O LEU A 4 8.973 -9.835 2.106 1.00 0.00 O ATOM 70 CB LEU A 4 10.736 -7.239 2.697 1.00 0.00 C ATOM 71 CG LEU A 4 11.535 -6.251 1.841 1.00 0.00 C ATOM 72 CD1 LEU A 4 10.961 -4.848 1.971 1.00 0.00 C ATOM 73 CD2 LEU A 4 13.006 -6.270 2.238 1.00 0.00 C ATOM 0 H LEU A 4 10.622 -8.985 0.445 1.00 0.00 H new ATOM 0 HA LEU A 4 11.927 -8.986 3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.675 -7.089 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.901 -6.998 3.747 1.00 0.00 H new ATOM 0 HG LEU A 4 11.458 -6.556 0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.541 -4.159 1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.923 -4.847 1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 4 11.007 -4.531 3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 4 13.559 -5.562 1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.103 -5.989 3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.409 -7.272 2.092 1.00 0.00 H new ATOM 85 N SER A 5 9.879 -10.011 4.158 1.00 0.00 N ATOM 86 CA SER A 5 8.795 -10.833 4.687 1.00 0.00 C ATOM 87 C SER A 5 7.471 -10.089 4.605 1.00 0.00 C ATOM 88 O SER A 5 7.445 -8.867 4.463 1.00 0.00 O ATOM 89 CB SER A 5 9.083 -11.223 6.138 1.00 0.00 C ATOM 90 OG SER A 5 10.273 -11.989 6.233 1.00 0.00 O ATOM 0 H SER A 5 10.619 -9.807 4.830 1.00 0.00 H new ATOM 0 HA SER A 5 8.726 -11.738 4.083 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.175 -10.324 6.748 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.245 -11.795 6.537 1.00 0.00 H new ATOM 0 HG SER A 5 10.436 -12.225 7.170 1.00 0.00 H new ATOM 96 N ASP A 6 6.367 -10.828 4.702 1.00 0.00 N ATOM 97 CA ASP A 6 5.040 -10.211 4.646 1.00 0.00 C ATOM 98 C ASP A 6 4.899 -9.157 5.741 1.00 0.00 C ATOM 99 O ASP A 6 4.131 -8.207 5.607 1.00 0.00 O ATOM 100 CB ASP A 6 3.906 -11.245 4.785 1.00 0.00 C ATOM 101 CG ASP A 6 4.239 -12.598 4.179 1.00 0.00 C ATOM 102 OD1 ASP A 6 4.322 -12.688 2.935 1.00 0.00 O ATOM 103 OD2 ASP A 6 4.415 -13.566 4.948 1.00 0.00 O ATOM 0 H ASP A 6 6.362 -11.841 4.818 1.00 0.00 H new ATOM 0 HA ASP A 6 4.950 -9.745 3.665 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.673 -11.377 5.842 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.008 -10.853 4.307 1.00 0.00 H new ATOM 108 N GLU A 7 5.662 -9.322 6.819 1.00 0.00 N ATOM 109 CA GLU A 7 5.624 -8.374 7.923 1.00 0.00 C ATOM 110 C GLU A 7 6.320 -7.080 7.529 1.00 0.00 C ATOM 111 O GLU A 7 5.898 -5.992 7.918 1.00 0.00 O ATOM 112 CB GLU A 7 6.280 -8.980 9.170 1.00 0.00 C ATOM 113 CG GLU A 7 5.286 -9.340 10.262 1.00 0.00 C ATOM 114 CD GLU A 7 5.960 -9.634 11.589 1.00 0.00 C ATOM 115 OE1 GLU A 7 6.399 -10.786 11.789 1.00 0.00 O ATOM 116 OE2 GLU A 7 6.049 -8.712 12.426 1.00 0.00 O ATOM 0 H GLU A 7 6.310 -10.099 6.949 1.00 0.00 H new ATOM 0 HA GLU A 7 4.583 -8.150 8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.832 -9.875 8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.006 -8.272 9.569 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.580 -8.519 10.391 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.709 -10.211 9.951 1.00 0.00 H new ATOM 123 N LEU A 8 7.382 -7.210 6.744 1.00 0.00 N ATOM 124 CA LEU A 8 8.138 -6.056 6.277 1.00 0.00 C ATOM 125 C LEU A 8 7.451 -5.412 5.080 1.00 0.00 C ATOM 126 O LEU A 8 7.472 -4.192 4.918 1.00 0.00 O ATOM 127 CB LEU A 8 9.558 -6.466 5.905 1.00 0.00 C ATOM 128 CG LEU A 8 10.541 -6.480 7.072 1.00 0.00 C ATOM 129 CD1 LEU A 8 10.794 -5.068 7.575 1.00 0.00 C ATOM 130 CD2 LEU A 8 10.022 -7.366 8.196 1.00 0.00 C ATOM 0 H LEU A 8 7.740 -8.107 6.417 1.00 0.00 H new ATOM 0 HA LEU A 8 8.182 -5.327 7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.530 -7.460 5.459 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.931 -5.784 5.141 1.00 0.00 H new ATOM 0 HG LEU A 8 11.487 -6.891 6.720 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.497 -5.099 8.407 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.211 -4.464 6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.855 -4.627 7.910 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.736 -7.364 9.020 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.063 -6.985 8.546 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.896 -8.384 7.828 1.00 0.00 H new ATOM 142 N LEU A 9 6.840 -6.245 4.244 1.00 0.00 N ATOM 143 CA LEU A 9 6.140 -5.765 3.060 1.00 0.00 C ATOM 144 C LEU A 9 4.821 -5.112 3.441 1.00 0.00 C ATOM 145 O LEU A 9 4.479 -4.040 2.940 1.00 0.00 O ATOM 146 CB LEU A 9 5.897 -6.921 2.084 1.00 0.00 C ATOM 147 CG LEU A 9 5.073 -6.569 0.842 1.00 0.00 C ATOM 148 CD1 LEU A 9 5.938 -5.863 -0.190 1.00 0.00 C ATOM 149 CD2 LEU A 9 4.448 -7.823 0.248 1.00 0.00 C ATOM 0 H LEU A 9 6.816 -7.257 4.366 1.00 0.00 H new ATOM 0 HA LEU A 9 6.764 -5.016 2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.862 -7.310 1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.392 -7.725 2.619 1.00 0.00 H new ATOM 0 HG LEU A 9 4.273 -5.891 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.335 -5.621 -1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.340 -4.945 0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.759 -6.516 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.866 -7.556 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.235 -8.523 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.796 -8.289 0.986 1.00 0.00 H new ATOM 161 N ILE A 10 4.083 -5.755 4.332 1.00 0.00 N ATOM 162 CA ILE A 10 2.805 -5.222 4.772 1.00 0.00 C ATOM 163 C ILE A 10 3.010 -3.978 5.625 1.00 0.00 C ATOM 164 O ILE A 10 2.226 -3.032 5.558 1.00 0.00 O ATOM 165 CB ILE A 10 1.987 -6.281 5.536 1.00 0.00 C ATOM 166 CG1 ILE A 10 1.707 -7.459 4.612 1.00 0.00 C ATOM 167 CG2 ILE A 10 0.678 -5.702 6.063 1.00 0.00 C ATOM 168 CD1 ILE A 10 1.384 -8.729 5.350 1.00 0.00 C ATOM 0 H ILE A 10 4.346 -6.642 4.762 1.00 0.00 H new ATOM 0 HA ILE A 10 2.236 -4.943 3.885 1.00 0.00 H new ATOM 0 HB ILE A 10 2.568 -6.614 6.396 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.875 -7.207 3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.576 -7.627 3.976 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.126 -6.476 6.596 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.892 -4.876 6.741 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.078 -5.339 5.228 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.195 -9.528 4.633 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.225 -9.004 5.987 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.497 -8.577 5.966 1.00 0.00 H new ATOM 180 N GLU A 11 4.079 -3.975 6.410 1.00 0.00 N ATOM 181 CA GLU A 11 4.393 -2.831 7.249 1.00 0.00 C ATOM 182 C GLU A 11 4.650 -1.602 6.387 1.00 0.00 C ATOM 183 O GLU A 11 4.415 -0.476 6.815 1.00 0.00 O ATOM 184 CB GLU A 11 5.613 -3.120 8.123 1.00 0.00 C ATOM 185 CG GLU A 11 5.267 -3.689 9.489 1.00 0.00 C ATOM 186 CD GLU A 11 4.675 -2.650 10.420 1.00 0.00 C ATOM 187 OE1 GLU A 11 3.845 -1.839 9.957 1.00 0.00 O ATOM 188 OE2 GLU A 11 5.042 -2.644 11.614 1.00 0.00 O ATOM 0 H GLU A 11 4.739 -4.749 6.482 1.00 0.00 H new ATOM 0 HA GLU A 11 3.539 -2.638 7.899 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.264 -3.822 7.602 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.180 -2.198 8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.559 -4.509 9.368 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.165 -4.108 9.942 1.00 0.00 H new ATOM 195 N SER A 12 5.125 -1.828 5.163 1.00 0.00 N ATOM 196 CA SER A 12 5.394 -0.732 4.243 1.00 0.00 C ATOM 197 C SER A 12 4.084 -0.169 3.714 1.00 0.00 C ATOM 198 O SER A 12 3.880 1.043 3.688 1.00 0.00 O ATOM 199 CB SER A 12 6.272 -1.208 3.084 1.00 0.00 C ATOM 200 OG SER A 12 7.172 -0.192 2.673 1.00 0.00 O ATOM 0 H SER A 12 5.329 -2.755 4.790 1.00 0.00 H new ATOM 0 HA SER A 12 5.928 0.053 4.779 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.832 -2.093 3.388 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.643 -1.502 2.244 1.00 0.00 H new ATOM 0 HG SER A 12 7.119 -0.081 1.701 1.00 0.00 H new ATOM 206 N TYR A 13 3.187 -1.065 3.314 1.00 0.00 N ATOM 207 CA TYR A 13 1.882 -0.659 2.811 1.00 0.00 C ATOM 208 C TYR A 13 1.095 0.028 3.917 1.00 0.00 C ATOM 209 O TYR A 13 0.385 1.004 3.679 1.00 0.00 O ATOM 210 CB TYR A 13 1.103 -1.872 2.302 1.00 0.00 C ATOM 211 CG TYR A 13 -0.203 -1.512 1.632 1.00 0.00 C ATOM 212 CD1 TYR A 13 -0.221 -0.841 0.416 1.00 0.00 C ATOM 213 CD2 TYR A 13 -1.419 -1.843 2.217 1.00 0.00 C ATOM 214 CE1 TYR A 13 -1.413 -0.508 -0.198 1.00 0.00 C ATOM 215 CE2 TYR A 13 -2.616 -1.514 1.609 1.00 0.00 C ATOM 216 CZ TYR A 13 -2.607 -0.846 0.402 1.00 0.00 C ATOM 217 OH TYR A 13 -3.797 -0.516 -0.205 1.00 0.00 O ATOM 0 H TYR A 13 3.340 -2.073 3.329 1.00 0.00 H new ATOM 0 HA TYR A 13 2.028 0.035 1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.725 -2.423 1.596 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.901 -2.541 3.138 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.713 -0.575 -0.058 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.429 -2.366 3.162 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.409 0.014 -1.143 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.553 -1.778 2.076 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.544 -0.827 0.348 1.00 0.00 H new ATOM 227 N PHE A 14 1.239 -0.494 5.129 1.00 0.00 N ATOM 228 CA PHE A 14 0.554 0.060 6.289 1.00 0.00 C ATOM 229 C PHE A 14 1.193 1.381 6.705 1.00 0.00 C ATOM 230 O PHE A 14 0.504 2.373 6.947 1.00 0.00 O ATOM 231 CB PHE A 14 0.597 -0.946 7.446 1.00 0.00 C ATOM 232 CG PHE A 14 -0.282 -2.170 7.265 1.00 0.00 C ATOM 233 CD1 PHE A 14 -0.865 -2.473 6.037 1.00 0.00 C ATOM 234 CD2 PHE A 14 -0.516 -3.023 8.332 1.00 0.00 C ATOM 235 CE1 PHE A 14 -1.656 -3.595 5.885 1.00 0.00 C ATOM 236 CE2 PHE A 14 -1.307 -4.149 8.183 1.00 0.00 C ATOM 237 CZ PHE A 14 -1.879 -4.434 6.959 1.00 0.00 C ATOM 0 H PHE A 14 1.826 -1.303 5.334 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.486 0.253 6.027 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.627 -1.274 7.584 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.300 -0.436 8.362 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.696 -1.822 5.192 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.075 -2.806 9.294 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.100 -3.816 4.926 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.477 -4.805 9.024 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.499 -5.311 6.842 1.00 0.00 H new ATOM 247 N LYS A 15 2.520 1.387 6.769 1.00 0.00 N ATOM 248 CA LYS A 15 3.264 2.583 7.139 1.00 0.00 C ATOM 249 C LYS A 15 3.087 3.668 6.086 1.00 0.00 C ATOM 250 O LYS A 15 2.849 4.830 6.410 1.00 0.00 O ATOM 251 CB LYS A 15 4.751 2.258 7.297 1.00 0.00 C ATOM 252 CG LYS A 15 5.088 1.560 8.606 1.00 0.00 C ATOM 253 CD LYS A 15 4.892 2.483 9.799 1.00 0.00 C ATOM 254 CE LYS A 15 3.627 2.137 10.571 1.00 0.00 C ATOM 255 NZ LYS A 15 3.624 2.742 11.932 1.00 0.00 N ATOM 0 H LYS A 15 3.103 0.574 6.569 1.00 0.00 H new ATOM 0 HA LYS A 15 2.875 2.945 8.091 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.066 1.626 6.467 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.325 3.182 7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.459 0.677 8.721 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.121 1.214 8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.755 2.411 10.461 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.839 3.516 9.456 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.756 2.487 10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.538 1.054 10.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.746 2.483 12.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.441 2.389 12.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.683 3.777 11.852 1.00 0.00 H new ATOM 269 N ALA A 16 3.211 3.275 4.824 1.00 0.00 N ATOM 270 CA ALA A 16 3.076 4.206 3.712 1.00 0.00 C ATOM 271 C ALA A 16 1.678 4.806 3.649 1.00 0.00 C ATOM 272 O ALA A 16 1.515 5.970 3.287 1.00 0.00 O ATOM 273 CB ALA A 16 3.418 3.514 2.402 1.00 0.00 C ATOM 0 H ALA A 16 3.406 2.313 4.545 1.00 0.00 H new ATOM 0 HA ALA A 16 3.778 5.024 3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.313 4.221 1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.445 3.151 2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.741 2.674 2.247 1.00 0.00 H new ATOM 279 N THR A 17 0.671 4.017 4.002 1.00 0.00 N ATOM 280 CA THR A 17 -0.702 4.500 3.981 1.00 0.00 C ATOM 281 C THR A 17 -0.917 5.542 5.073 1.00 0.00 C ATOM 282 O THR A 17 -1.705 6.473 4.913 1.00 0.00 O ATOM 283 CB THR A 17 -1.685 3.342 4.156 1.00 0.00 C ATOM 284 OG1 THR A 17 -1.298 2.512 5.236 1.00 0.00 O ATOM 285 CG2 THR A 17 -1.807 2.470 2.926 1.00 0.00 C ATOM 0 H THR A 17 0.778 3.049 4.304 1.00 0.00 H new ATOM 0 HA THR A 17 -0.885 4.965 3.012 1.00 0.00 H new ATOM 0 HB THR A 17 -2.651 3.810 4.347 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.600 2.959 5.759 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.520 1.668 3.118 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.155 3.072 2.086 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.834 2.041 2.686 1.00 0.00 H new ATOM 293 N GLU A 18 -0.208 5.375 6.187 1.00 0.00 N ATOM 294 CA GLU A 18 -0.320 6.298 7.311 1.00 0.00 C ATOM 295 C GLU A 18 0.415 7.607 7.034 1.00 0.00 C ATOM 296 O GLU A 18 -0.113 8.691 7.284 1.00 0.00 O ATOM 297 CB GLU A 18 0.221 5.645 8.587 1.00 0.00 C ATOM 298 CG GLU A 18 -0.868 5.174 9.537 1.00 0.00 C ATOM 299 CD GLU A 18 -1.248 3.723 9.314 1.00 0.00 C ATOM 300 OE1 GLU A 18 -1.481 3.342 8.148 1.00 0.00 O ATOM 301 OE2 GLU A 18 -1.311 2.967 10.307 1.00 0.00 O ATOM 0 H GLU A 18 0.449 4.609 6.334 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.376 6.531 7.449 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.846 4.795 8.313 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.862 6.357 9.106 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.529 5.303 10.565 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.751 5.801 9.411 1.00 0.00 H new ATOM 308 N MET A 19 1.635 7.499 6.529 1.00 0.00 N ATOM 309 CA MET A 19 2.448 8.669 6.229 1.00 0.00 C ATOM 310 C MET A 19 2.100 9.281 4.869 1.00 0.00 C ATOM 311 O MET A 19 2.496 10.407 4.570 1.00 0.00 O ATOM 312 CB MET A 19 3.929 8.292 6.262 1.00 0.00 C ATOM 313 CG MET A 19 4.363 7.381 5.125 1.00 0.00 C ATOM 314 SD MET A 19 6.148 7.128 5.083 1.00 0.00 S ATOM 315 CE MET A 19 6.236 5.343 5.197 1.00 0.00 C ATOM 0 H MET A 19 2.086 6.609 6.317 1.00 0.00 H new ATOM 0 HA MET A 19 2.237 9.419 6.991 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.526 9.204 6.231 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.147 7.801 7.210 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.865 6.417 5.227 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.038 7.809 4.177 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.277 5.035 5.291 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.678 5.006 6.071 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.806 4.899 4.299 1.00 0.00 H new ATOM 325 N ASN A 20 1.379 8.527 4.039 1.00 0.00 N ATOM 326 CA ASN A 20 1.000 8.987 2.703 1.00 0.00 C ATOM 327 C ASN A 20 2.210 8.945 1.776 1.00 0.00 C ATOM 328 O ASN A 20 2.416 9.837 0.955 1.00 0.00 O ATOM 329 CB ASN A 20 0.413 10.403 2.741 1.00 0.00 C ATOM 330 CG ASN A 20 -0.577 10.590 3.874 1.00 0.00 C ATOM 331 OD1 ASN A 20 -1.634 9.958 3.902 1.00 0.00 O ATOM 332 ND2 ASN A 20 -0.240 11.460 4.818 1.00 0.00 N ATOM 0 H ASN A 20 1.045 7.591 4.270 1.00 0.00 H new ATOM 0 HA ASN A 20 0.229 8.317 2.323 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.222 11.126 2.847 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.081 10.614 1.792 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.867 11.626 5.606 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.646 11.962 4.756 1.00 0.00 H new ATOM 339 N LEU A 21 3.008 7.889 1.924 1.00 0.00 N ATOM 340 CA LEU A 21 4.209 7.697 1.114 1.00 0.00 C ATOM 341 C LEU A 21 3.862 7.722 -0.374 1.00 0.00 C ATOM 342 O LEU A 21 2.708 7.515 -0.748 1.00 0.00 O ATOM 343 CB LEU A 21 4.864 6.360 1.481 1.00 0.00 C ATOM 344 CG LEU A 21 6.376 6.272 1.248 1.00 0.00 C ATOM 345 CD1 LEU A 21 6.993 5.224 2.166 1.00 0.00 C ATOM 346 CD2 LEU A 21 6.686 5.958 -0.215 1.00 0.00 C ATOM 0 H LEU A 21 2.842 7.147 2.604 1.00 0.00 H new ATOM 0 HA LEU A 21 4.907 8.510 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.665 6.156 2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.380 5.570 0.906 1.00 0.00 H new ATOM 0 HG LEU A 21 6.815 7.241 1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.067 5.173 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.809 5.497 3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.545 4.252 1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.766 5.901 -0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.234 5.004 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.280 6.745 -0.850 1.00 0.00 H new ATOM 358 N ASN A 22 4.866 7.983 -1.218 1.00 0.00 N ATOM 359 CA ASN A 22 4.679 8.042 -2.675 1.00 0.00 C ATOM 360 C ASN A 22 3.757 6.929 -3.185 1.00 0.00 C ATOM 361 O ASN A 22 3.920 5.762 -2.832 1.00 0.00 O ATOM 362 CB ASN A 22 6.033 7.955 -3.382 1.00 0.00 C ATOM 363 CG ASN A 22 5.923 8.199 -4.874 1.00 0.00 C ATOM 364 OD1 ASN A 22 5.227 9.113 -5.317 1.00 0.00 O ATOM 365 ND2 ASN A 22 6.612 7.379 -5.660 1.00 0.00 N ATOM 0 H ASN A 22 5.824 8.158 -0.916 1.00 0.00 H new ATOM 0 HA ASN A 22 4.203 8.996 -2.902 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.715 8.686 -2.947 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.468 6.971 -3.209 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.577 7.494 -6.673 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.176 6.634 -5.251 1.00 0.00 H new ATOM 372 N ARG A 23 2.782 7.312 -4.005 1.00 0.00 N ATOM 373 CA ARG A 23 1.812 6.367 -4.562 1.00 0.00 C ATOM 374 C ARG A 23 2.490 5.168 -5.217 1.00 0.00 C ATOM 375 O ARG A 23 1.951 4.062 -5.206 1.00 0.00 O ATOM 376 CB ARG A 23 0.919 7.076 -5.581 1.00 0.00 C ATOM 377 CG ARG A 23 -0.235 6.220 -6.080 1.00 0.00 C ATOM 378 CD ARG A 23 0.152 5.422 -7.317 1.00 0.00 C ATOM 379 NE ARG A 23 -0.882 5.478 -8.349 1.00 0.00 N ATOM 380 CZ ARG A 23 -1.062 6.514 -9.170 1.00 0.00 C ATOM 381 NH1 ARG A 23 -0.286 7.589 -9.087 1.00 0.00 N ATOM 382 NH2 ARG A 23 -2.026 6.473 -10.080 1.00 0.00 N ATOM 0 H ARG A 23 2.640 8.278 -4.302 1.00 0.00 H new ATOM 0 HA ARG A 23 1.208 5.994 -3.735 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.518 7.984 -5.131 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.527 7.384 -6.432 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.550 5.538 -5.291 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.089 6.858 -6.310 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.088 5.809 -7.720 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.330 4.384 -7.038 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.504 4.676 -8.447 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.457 7.629 -8.390 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.434 8.375 -9.720 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.626 5.651 -10.150 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.167 7.263 -10.710 1.00 0.00 H new ATOM 396 N ASP A 24 3.663 5.391 -5.792 1.00 0.00 N ATOM 397 CA ASP A 24 4.390 4.317 -6.455 1.00 0.00 C ATOM 398 C ASP A 24 4.825 3.247 -5.461 1.00 0.00 C ATOM 399 O ASP A 24 4.822 2.058 -5.778 1.00 0.00 O ATOM 400 CB ASP A 24 5.606 4.872 -7.198 1.00 0.00 C ATOM 401 CG ASP A 24 5.839 4.178 -8.526 1.00 0.00 C ATOM 402 OD1 ASP A 24 4.844 3.809 -9.186 1.00 0.00 O ATOM 403 OD2 ASP A 24 7.016 4.002 -8.905 1.00 0.00 O ATOM 0 H ASP A 24 4.129 6.298 -5.813 1.00 0.00 H new ATOM 0 HA ASP A 24 3.716 3.855 -7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.468 5.940 -7.369 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.492 4.761 -6.573 1.00 0.00 H new ATOM 408 N PHE A 25 5.182 3.669 -4.254 1.00 0.00 N ATOM 409 CA PHE A 25 5.599 2.734 -3.221 1.00 0.00 C ATOM 410 C PHE A 25 4.379 2.010 -2.677 1.00 0.00 C ATOM 411 O PHE A 25 4.389 0.794 -2.500 1.00 0.00 O ATOM 412 CB PHE A 25 6.330 3.465 -2.092 1.00 0.00 C ATOM 413 CG PHE A 25 7.281 2.586 -1.329 1.00 0.00 C ATOM 414 CD1 PHE A 25 8.153 1.742 -1.999 1.00 0.00 C ATOM 415 CD2 PHE A 25 7.302 2.603 0.057 1.00 0.00 C ATOM 416 CE1 PHE A 25 9.029 0.934 -1.301 1.00 0.00 C ATOM 417 CE2 PHE A 25 8.177 1.796 0.759 1.00 0.00 C ATOM 418 CZ PHE A 25 9.042 0.960 0.080 1.00 0.00 C ATOM 0 H PHE A 25 5.191 4.648 -3.969 1.00 0.00 H new ATOM 0 HA PHE A 25 6.288 2.009 -3.655 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.882 4.306 -2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.595 3.878 -1.401 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.147 1.716 -3.079 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.628 3.254 0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.704 0.282 -1.835 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.185 1.819 1.839 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.726 0.329 0.627 1.00 0.00 H new ATOM 428 N ILE A 26 3.318 2.772 -2.438 1.00 0.00 N ATOM 429 CA ILE A 26 2.072 2.213 -1.938 1.00 0.00 C ATOM 430 C ILE A 26 1.511 1.205 -2.939 1.00 0.00 C ATOM 431 O ILE A 26 1.102 0.108 -2.563 1.00 0.00 O ATOM 432 CB ILE A 26 1.036 3.333 -1.665 1.00 0.00 C ATOM 433 CG1 ILE A 26 1.536 4.244 -0.538 1.00 0.00 C ATOM 434 CG2 ILE A 26 -0.333 2.752 -1.310 1.00 0.00 C ATOM 435 CD1 ILE A 26 0.570 5.351 -0.170 1.00 0.00 C ATOM 0 H ILE A 26 3.298 3.781 -2.584 1.00 0.00 H new ATOM 0 HA ILE A 26 2.277 1.702 -0.997 1.00 0.00 H new ATOM 0 HB ILE A 26 0.922 3.919 -2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.732 3.638 0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.485 4.688 -0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.036 3.564 -1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.694 2.141 -2.137 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.246 2.136 -0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.995 5.952 0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.392 5.983 -1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.373 4.916 0.161 1.00 0.00 H new ATOM 447 N GLU A 27 1.499 1.582 -4.213 1.00 0.00 N ATOM 448 CA GLU A 27 0.994 0.700 -5.254 1.00 0.00 C ATOM 449 C GLU A 27 1.951 -0.465 -5.471 1.00 0.00 C ATOM 450 O GLU A 27 1.534 -1.580 -5.783 1.00 0.00 O ATOM 451 CB GLU A 27 0.790 1.473 -6.559 1.00 0.00 C ATOM 452 CG GLU A 27 -0.497 1.114 -7.284 1.00 0.00 C ATOM 453 CD GLU A 27 -0.427 1.398 -8.772 1.00 0.00 C ATOM 454 OE1 GLU A 27 -0.594 2.574 -9.160 1.00 0.00 O ATOM 455 OE2 GLU A 27 -0.206 0.446 -9.549 1.00 0.00 O ATOM 0 H GLU A 27 1.831 2.487 -4.546 1.00 0.00 H new ATOM 0 HA GLU A 27 0.030 0.304 -4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.789 2.541 -6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.635 1.282 -7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.714 0.057 -7.129 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.324 1.676 -6.849 1.00 0.00 H new ATOM 462 N LEU A 28 3.239 -0.196 -5.293 1.00 0.00 N ATOM 463 CA LEU A 28 4.265 -1.214 -5.454 1.00 0.00 C ATOM 464 C LEU A 28 4.140 -2.261 -4.349 1.00 0.00 C ATOM 465 O LEU A 28 4.164 -3.463 -4.613 1.00 0.00 O ATOM 466 CB LEU A 28 5.654 -0.548 -5.447 1.00 0.00 C ATOM 467 CG LEU A 28 6.848 -1.454 -5.121 1.00 0.00 C ATOM 468 CD1 LEU A 28 8.116 -0.907 -5.753 1.00 0.00 C ATOM 469 CD2 LEU A 28 7.015 -1.579 -3.615 1.00 0.00 C ATOM 0 H LEU A 28 3.597 0.724 -5.036 1.00 0.00 H new ATOM 0 HA LEU A 28 4.135 -1.723 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.823 -0.101 -6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.637 0.267 -4.724 1.00 0.00 H new ATOM 0 HG LEU A 28 6.658 -2.445 -5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.954 -1.561 -5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.992 -0.859 -6.835 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.313 0.093 -5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.866 -2.224 -3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.188 -0.592 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.112 -2.010 -3.183 1.00 0.00 H new ATOM 481 N ILE A 29 3.991 -1.795 -3.115 1.00 0.00 N ATOM 482 CA ILE A 29 3.844 -2.693 -1.983 1.00 0.00 C ATOM 483 C ILE A 29 2.511 -3.425 -2.065 1.00 0.00 C ATOM 484 O ILE A 29 2.397 -4.580 -1.659 1.00 0.00 O ATOM 485 CB ILE A 29 3.930 -1.937 -0.641 1.00 0.00 C ATOM 486 CG1 ILE A 29 5.198 -1.086 -0.584 1.00 0.00 C ATOM 487 CG2 ILE A 29 3.898 -2.915 0.521 1.00 0.00 C ATOM 488 CD1 ILE A 29 4.999 0.243 0.109 1.00 0.00 C ATOM 0 H ILE A 29 3.969 -0.804 -2.876 1.00 0.00 H new ATOM 0 HA ILE A 29 4.664 -3.410 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 29 3.067 -1.276 -0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.978 -1.644 -0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.553 -0.908 -1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.960 -2.366 1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.968 -3.483 0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.743 -3.599 0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.939 0.795 0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.242 0.820 -0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.673 0.073 1.135 1.00 0.00 H new ATOM 500 N GLU A 30 1.507 -2.743 -2.608 1.00 0.00 N ATOM 501 CA GLU A 30 0.180 -3.324 -2.759 1.00 0.00 C ATOM 502 C GLU A 30 0.160 -4.299 -3.931 1.00 0.00 C ATOM 503 O GLU A 30 -0.561 -5.296 -3.912 1.00 0.00 O ATOM 504 CB GLU A 30 -0.861 -2.224 -2.973 1.00 0.00 C ATOM 505 CG GLU A 30 -2.267 -2.626 -2.561 1.00 0.00 C ATOM 506 CD GLU A 30 -3.338 -1.841 -3.295 1.00 0.00 C ATOM 507 OE1 GLU A 30 -3.017 -0.761 -3.832 1.00 0.00 O ATOM 508 OE2 GLU A 30 -4.495 -2.307 -3.331 1.00 0.00 O ATOM 0 H GLU A 30 1.589 -1.786 -2.951 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.066 -3.867 -1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.565 -1.341 -2.408 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.867 -1.941 -4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.407 -3.690 -2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.384 -2.476 -1.488 1.00 0.00 H new ATOM 515 N ASN A 31 0.960 -4.000 -4.950 1.00 0.00 N ATOM 516 CA ASN A 31 1.043 -4.845 -6.134 1.00 0.00 C ATOM 517 C ASN A 31 1.721 -6.172 -5.816 1.00 0.00 C ATOM 518 O ASN A 31 1.434 -7.191 -6.445 1.00 0.00 O ATOM 519 CB ASN A 31 1.801 -4.119 -7.247 1.00 0.00 C ATOM 520 CG ASN A 31 0.903 -3.211 -8.064 1.00 0.00 C ATOM 521 OD1 ASN A 31 1.180 -2.022 -8.220 1.00 0.00 O ATOM 522 ND2 ASN A 31 -0.181 -3.767 -8.590 1.00 0.00 N ATOM 0 H ASN A 31 1.561 -3.176 -4.978 1.00 0.00 H new ATOM 0 HA ASN A 31 0.028 -5.056 -6.471 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.606 -3.530 -6.809 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.265 -4.854 -7.905 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.823 -3.204 -9.149 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.372 -4.757 -8.436 1.00 0.00 H new ATOM 529 N GLU A 32 2.611 -6.161 -4.829 1.00 0.00 N ATOM 530 CA GLU A 32 3.310 -7.376 -4.428 1.00 0.00 C ATOM 531 C GLU A 32 2.413 -8.206 -3.526 1.00 0.00 C ATOM 532 O GLU A 32 2.277 -9.417 -3.701 1.00 0.00 O ATOM 533 CB GLU A 32 4.615 -7.036 -3.705 1.00 0.00 C ATOM 534 CG GLU A 32 5.569 -8.212 -3.591 1.00 0.00 C ATOM 535 CD GLU A 32 6.697 -8.149 -4.601 1.00 0.00 C ATOM 536 OE1 GLU A 32 6.404 -8.058 -5.813 1.00 0.00 O ATOM 537 OE2 GLU A 32 7.872 -8.188 -4.183 1.00 0.00 O ATOM 0 H GLU A 32 2.864 -5.330 -4.295 1.00 0.00 H new ATOM 0 HA GLU A 32 3.555 -7.951 -5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.113 -6.224 -4.235 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.382 -6.669 -2.705 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.988 -8.238 -2.585 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.014 -9.140 -3.730 1.00 0.00 H new ATOM 544 N ILE A 33 1.781 -7.531 -2.576 1.00 0.00 N ATOM 545 CA ILE A 33 0.868 -8.179 -1.653 1.00 0.00 C ATOM 546 C ILE A 33 -0.322 -8.752 -2.421 1.00 0.00 C ATOM 547 O ILE A 33 -0.877 -9.785 -2.045 1.00 0.00 O ATOM 548 CB ILE A 33 0.379 -7.178 -0.579 1.00 0.00 C ATOM 549 CG1 ILE A 33 1.569 -6.621 0.201 1.00 0.00 C ATOM 550 CG2 ILE A 33 -0.620 -7.821 0.379 1.00 0.00 C ATOM 551 CD1 ILE A 33 1.283 -5.302 0.886 1.00 0.00 C ATOM 0 H ILE A 33 1.887 -6.528 -2.426 1.00 0.00 H new ATOM 0 HA ILE A 33 1.394 -8.991 -1.151 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.131 -6.363 -1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.875 -7.351 0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.410 -6.492 -0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.940 -7.086 1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.486 -8.173 -0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.148 -8.663 0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.173 -4.969 1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.007 -4.557 0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.463 -5.429 1.593 1.00 0.00 H new ATOM 563 N LYS A 34 -0.699 -8.079 -3.506 1.00 0.00 N ATOM 564 CA LYS A 34 -1.811 -8.529 -4.331 1.00 0.00 C ATOM 565 C LYS A 34 -1.417 -9.782 -5.106 1.00 0.00 C ATOM 566 O LYS A 34 -2.137 -10.780 -5.102 1.00 0.00 O ATOM 567 CB LYS A 34 -2.239 -7.418 -5.293 1.00 0.00 C ATOM 568 CG LYS A 34 -3.455 -6.641 -4.815 1.00 0.00 C ATOM 569 CD LYS A 34 -3.895 -5.604 -5.837 1.00 0.00 C ATOM 570 CE LYS A 34 -3.440 -4.206 -5.447 1.00 0.00 C ATOM 571 NZ LYS A 34 -4.190 -3.151 -6.182 1.00 0.00 N ATOM 0 H LYS A 34 -0.250 -7.223 -3.831 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.654 -8.771 -3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.407 -6.727 -5.432 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.456 -7.855 -6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.275 -7.332 -4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.224 -6.147 -3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.488 -5.860 -6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.981 -5.621 -5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.575 -4.067 -4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.374 -4.102 -5.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.530 -2.598 -6.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.904 -3.595 -6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.661 -2.522 -5.501 1.00 0.00 H new ATOM 585 N ARG A 35 -0.259 -9.726 -5.755 1.00 0.00 N ATOM 586 CA ARG A 35 0.242 -10.862 -6.518 1.00 0.00 C ATOM 587 C ARG A 35 0.651 -12.001 -5.583 1.00 0.00 C ATOM 588 O ARG A 35 0.676 -13.165 -5.982 1.00 0.00 O ATOM 589 CB ARG A 35 1.436 -10.439 -7.377 1.00 0.00 C ATOM 590 CG ARG A 35 1.943 -11.540 -8.296 1.00 0.00 C ATOM 591 CD ARG A 35 1.276 -11.483 -9.663 1.00 0.00 C ATOM 592 NE ARG A 35 0.846 -12.805 -10.116 1.00 0.00 N ATOM 593 CZ ARG A 35 0.564 -13.106 -11.384 1.00 0.00 C ATOM 594 NH1 ARG A 35 0.664 -12.184 -12.337 1.00 0.00 N ATOM 595 NH2 ARG A 35 0.180 -14.334 -11.701 1.00 0.00 N ATOM 0 H ARG A 35 0.349 -8.907 -5.768 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.557 -11.215 -7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.152 -9.576 -7.979 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.248 -10.119 -6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.023 -11.448 -8.414 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.754 -12.511 -7.839 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.415 -10.817 -9.619 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.970 -11.059 -10.388 1.00 0.00 H new ATOM 0 HE ARG A 35 0.756 -13.543 -9.418 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.959 -11.236 -12.101 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.446 -12.424 -13.304 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.101 -15.047 -10.976 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.036 -14.566 -12.670 1.00 0.00 H new ATOM 609 N ARG A 36 0.972 -11.655 -4.336 1.00 0.00 N ATOM 610 CA ARG A 36 1.380 -12.642 -3.344 1.00 0.00 C ATOM 611 C ARG A 36 0.179 -13.327 -2.681 1.00 0.00 C ATOM 612 O ARG A 36 0.351 -14.106 -1.744 1.00 0.00 O ATOM 613 CB ARG A 36 2.247 -11.970 -2.276 1.00 0.00 C ATOM 614 CG ARG A 36 3.717 -11.884 -2.654 1.00 0.00 C ATOM 615 CD ARG A 36 4.602 -11.750 -1.426 1.00 0.00 C ATOM 616 NE ARG A 36 6.016 -11.944 -1.749 1.00 0.00 N ATOM 617 CZ ARG A 36 6.958 -12.223 -0.847 1.00 0.00 C ATOM 618 NH1 ARG A 36 6.650 -12.340 0.441 1.00 0.00 N ATOM 619 NH2 ARG A 36 8.215 -12.385 -1.236 1.00 0.00 N ATOM 0 H ARG A 36 0.956 -10.695 -3.991 1.00 0.00 H new ATOM 0 HA ARG A 36 1.952 -13.412 -3.861 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.868 -10.965 -2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.152 -12.523 -1.341 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.002 -12.775 -3.214 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.875 -11.030 -3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.463 -10.763 -0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.297 -12.481 -0.677 1.00 0.00 H new ATOM 0 HE ARG A 36 6.299 -11.861 -2.725 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.685 -12.216 0.748 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.378 -12.554 1.122 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.459 -12.296 -2.222 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.938 -12.598 -0.549 1.00 0.00 H new ATOM 633 N SER A 37 -1.036 -13.040 -3.159 1.00 0.00 N ATOM 634 CA SER A 37 -2.236 -13.644 -2.586 1.00 0.00 C ATOM 635 C SER A 37 -2.372 -13.267 -1.116 1.00 0.00 C ATOM 636 O SER A 37 -2.834 -14.061 -0.296 1.00 0.00 O ATOM 637 CB SER A 37 -2.190 -15.165 -2.735 1.00 0.00 C ATOM 638 OG SER A 37 -3.406 -15.757 -2.313 1.00 0.00 O ATOM 0 H SER A 37 -1.211 -12.400 -3.933 1.00 0.00 H new ATOM 0 HA SER A 37 -3.103 -13.264 -3.126 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.997 -15.426 -3.776 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.364 -15.566 -2.148 1.00 0.00 H new ATOM 0 HG SER A 37 -3.625 -15.447 -1.409 1.00 0.00 H new ATOM 644 N LEU A 38 -1.955 -12.049 -0.794 1.00 0.00 N ATOM 645 CA LEU A 38 -2.013 -11.548 0.573 1.00 0.00 C ATOM 646 C LEU A 38 -2.825 -10.253 0.642 1.00 0.00 C ATOM 647 O LEU A 38 -2.634 -9.440 1.546 1.00 0.00 O ATOM 648 CB LEU A 38 -0.594 -11.314 1.083 1.00 0.00 C ATOM 649 CG LEU A 38 -0.425 -11.421 2.594 1.00 0.00 C ATOM 650 CD1 LEU A 38 -0.504 -12.876 3.035 1.00 0.00 C ATOM 651 CD2 LEU A 38 0.896 -10.807 3.019 1.00 0.00 C ATOM 0 H LEU A 38 -1.570 -11.386 -1.467 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.508 -12.287 1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.070 -12.035 0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.269 -10.323 0.766 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.234 -10.872 3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.381 -12.936 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.474 -13.288 2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.287 -13.447 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.005 -10.890 4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.716 -11.334 2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.918 -9.756 2.732 1.00 0.00 H new ATOM 663 N GLY A 39 -3.734 -10.070 -0.319 1.00 0.00 N ATOM 664 CA GLY A 39 -4.563 -8.876 -0.347 1.00 0.00 C ATOM 665 C GLY A 39 -5.572 -8.828 0.788 1.00 0.00 C ATOM 666 O GLY A 39 -6.212 -7.801 1.007 1.00 0.00 O ATOM 0 H GLY A 39 -3.909 -10.729 -1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.923 -7.995 -0.295 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.092 -8.830 -1.299 1.00 0.00 H new ATOM 670 N HIS A 40 -5.715 -9.927 1.523 1.00 0.00 N ATOM 671 CA HIS A 40 -6.642 -9.964 2.642 1.00 0.00 C ATOM 672 C HIS A 40 -5.998 -9.322 3.863 1.00 0.00 C ATOM 673 O HIS A 40 -6.671 -8.684 4.674 1.00 0.00 O ATOM 674 CB HIS A 40 -7.052 -11.405 2.953 1.00 0.00 C ATOM 675 CG HIS A 40 -5.891 -12.310 3.224 1.00 0.00 C ATOM 676 ND1 HIS A 40 -5.485 -13.296 2.350 1.00 0.00 N ATOM 677 CD2 HIS A 40 -5.044 -12.373 4.279 1.00 0.00 C ATOM 678 CE1 HIS A 40 -4.439 -13.926 2.855 1.00 0.00 C ATOM 679 NE2 HIS A 40 -4.152 -13.385 4.025 1.00 0.00 N ATOM 0 H HIS A 40 -5.204 -10.795 1.363 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.539 -9.405 2.376 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.714 -11.407 3.819 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.623 -11.801 2.114 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -5.066 -11.744 5.157 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.909 -14.744 2.390 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.391 -13.673 4.640 1.00 0.00 H new ATOM 688 N ILE A 41 -4.680 -9.480 3.975 1.00 0.00 N ATOM 689 CA ILE A 41 -3.924 -8.904 5.078 1.00 0.00 C ATOM 690 C ILE A 41 -4.081 -7.379 5.079 1.00 0.00 C ATOM 691 O ILE A 41 -4.104 -6.737 6.129 1.00 0.00 O ATOM 692 CB ILE A 41 -2.422 -9.313 4.982 1.00 0.00 C ATOM 693 CG1 ILE A 41 -1.776 -9.307 6.368 1.00 0.00 C ATOM 694 CG2 ILE A 41 -1.638 -8.426 4.013 1.00 0.00 C ATOM 695 CD1 ILE A 41 -2.448 -10.252 7.336 1.00 0.00 C ATOM 0 H ILE A 41 -4.114 -10.006 3.309 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.316 -9.291 6.018 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.388 -10.326 4.581 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.725 -9.579 6.274 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.809 -8.296 6.774 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.598 -8.751 3.982 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.072 -8.503 3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.684 -7.390 4.349 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.944 -10.203 8.301 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.493 -9.967 7.457 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.392 -11.270 6.949 1.00 0.00 H new ATOM 707 N ILE A 42 -4.201 -6.825 3.874 1.00 0.00 N ATOM 708 CA ILE A 42 -4.370 -5.390 3.684 1.00 0.00 C ATOM 709 C ILE A 42 -5.841 -5.009 3.797 1.00 0.00 C ATOM 710 O ILE A 42 -6.700 -5.873 3.974 1.00 0.00 O ATOM 711 CB ILE A 42 -3.834 -4.927 2.303 1.00 0.00 C ATOM 712 CG1 ILE A 42 -4.407 -5.777 1.163 1.00 0.00 C ATOM 713 CG2 ILE A 42 -2.319 -4.975 2.275 1.00 0.00 C ATOM 714 CD1 ILE A 42 -3.902 -5.376 -0.208 1.00 0.00 C ATOM 0 H ILE A 42 -4.184 -7.359 3.005 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.795 -4.893 4.465 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.160 -3.898 2.154 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.158 -6.823 1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.494 -5.702 1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.963 -4.647 1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.920 -4.317 3.047 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.984 -5.996 2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.350 -6.021 -0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.175 -4.340 -0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.817 -5.478 -0.241 1.00 0.00 H new ATOM 726 N SER A 43 -6.133 -3.718 3.681 1.00 0.00 N ATOM 727 CA SER A 43 -7.511 -3.241 3.756 1.00 0.00 C ATOM 728 C SER A 43 -8.150 -3.268 2.369 1.00 0.00 C ATOM 729 O SER A 43 -8.666 -2.260 1.883 1.00 0.00 O ATOM 730 CB SER A 43 -7.555 -1.824 4.334 1.00 0.00 C ATOM 731 OG SER A 43 -8.838 -1.245 4.167 1.00 0.00 O ATOM 0 H SER A 43 -5.438 -2.985 3.535 1.00 0.00 H new ATOM 0 HA SER A 43 -8.074 -3.900 4.416 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.300 -1.852 5.393 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.806 -1.204 3.842 1.00 0.00 H new ATOM 0 HG SER A 43 -9.062 -1.215 3.213 1.00 0.00 H new ATOM 737 N VAL A 44 -8.090 -4.431 1.729 1.00 0.00 N ATOM 738 CA VAL A 44 -8.633 -4.610 0.394 1.00 0.00 C ATOM 739 C VAL A 44 -9.665 -5.732 0.359 1.00 0.00 C ATOM 740 O VAL A 44 -9.538 -6.727 1.073 1.00 0.00 O ATOM 741 CB VAL A 44 -7.498 -4.924 -0.598 1.00 0.00 C ATOM 742 CG1 VAL A 44 -8.013 -5.054 -2.020 1.00 0.00 C ATOM 743 CG2 VAL A 44 -6.432 -3.851 -0.519 1.00 0.00 C ATOM 0 H VAL A 44 -7.665 -5.271 2.122 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.127 -3.681 0.107 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.065 -5.885 -0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.182 -5.276 -2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.744 -5.861 -2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.484 -4.119 -2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.632 -4.080 -1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.870 -2.884 -0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.026 -3.815 0.492 1.00 0.00 H new ATOM 753 N SER A 45 -10.679 -5.573 -0.484 1.00 0.00 N ATOM 754 CA SER A 45 -11.719 -6.582 -0.616 1.00 0.00 C ATOM 755 C SER A 45 -11.628 -7.269 -1.975 1.00 0.00 C ATOM 756 O SER A 45 -12.250 -6.836 -2.944 1.00 0.00 O ATOM 757 CB SER A 45 -13.102 -5.950 -0.444 1.00 0.00 C ATOM 758 OG SER A 45 -13.440 -5.828 0.926 1.00 0.00 O ATOM 0 H SER A 45 -10.801 -4.757 -1.084 1.00 0.00 H new ATOM 0 HA SER A 45 -11.572 -7.328 0.165 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.117 -4.967 -0.914 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.849 -6.559 -0.953 1.00 0.00 H new ATOM 0 HG SER A 45 -14.327 -5.420 1.009 1.00 0.00 H new ATOM 764 N SER A 46 -10.847 -8.342 -2.033 1.00 0.00 N ATOM 765 CA SER A 46 -10.672 -9.092 -3.271 1.00 0.00 C ATOM 766 C SER A 46 -11.965 -9.794 -3.671 1.00 0.00 C ATOM 767 O SER A 46 -11.898 -10.750 -4.472 1.00 0.00 O ATOM 768 CB SER A 46 -9.550 -10.121 -3.114 1.00 0.00 C ATOM 769 OG SER A 46 -9.416 -10.913 -4.282 1.00 0.00 O ATOM 770 OXT SER A 46 -13.037 -9.380 -3.178 1.00 0.00 O ATOM 0 H SER A 46 -10.326 -8.712 -1.238 1.00 0.00 H new ATOM 0 HA SER A 46 -10.404 -8.387 -4.057 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.610 -9.610 -2.908 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.758 -10.763 -2.258 1.00 0.00 H new ATOM 0 HG SER A 46 -10.267 -11.360 -4.474 1.00 0.00 H new TER 776 SER A 46