USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 534 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 43 THR OG1 : rot 159:sc= 0.97 USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0.235 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.286 (180deg=-0.48) USER MOD Single : A 3 GLN : amide:sc= -1.39 K(o=-1.4,f=-3.1!) USER MOD Single : A 6 THR OG1 : rot 159:sc= -0.791 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= -1.29 USER MOD Single : A 12 MET CE :methyl -149:sc= -2.37! (180deg=-5.5!) USER MOD Single : A 16 GLN : amide:sc= -0.123 K(o=-0.12,f=-3.8!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.068) USER MOD Single : A 19 THR OG1 : rot 61:sc= 0.57 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -1.56 X(o=-1.6,f=-1.5) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.198 K(o=-0.2,f=-2.3!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.55) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.62 X(o=-1.6,f=-1.2) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -171:sc= 0.22 (180deg=0.188) USER MOD Single : A 60 SER OG : rot -108:sc= 0.968 USER MOD Single : A 61 ASN : amide:sc= -0.684 K(o=-0.68,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.709 15.365 -1.276 1.00 0.00 N ATOM 2 CA MET A 1 -1.008 14.483 -0.117 1.00 0.00 C ATOM 3 C MET A 1 -0.103 13.255 -0.111 1.00 0.00 C ATOM 4 O MET A 1 -0.201 12.397 -0.988 1.00 0.00 O ATOM 5 CB MET A 1 -2.474 14.058 -0.194 1.00 0.00 C ATOM 6 CG MET A 1 -2.888 13.549 -1.566 1.00 0.00 C ATOM 7 SD MET A 1 -3.786 14.785 -2.524 1.00 0.00 S ATOM 8 CE MET A 1 -5.468 14.195 -2.344 1.00 0.00 C ATOM 0 H1 MET A 1 -1.596 15.625 -1.753 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.230 16.226 -0.943 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.091 14.862 -1.945 1.00 0.00 H new ATOM 0 HA MET A 1 -0.824 15.031 0.807 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.657 13.277 0.544 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.104 14.906 0.075 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.000 13.242 -2.118 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.512 12.663 -1.447 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.146 14.857 -2.883 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.546 13.187 -2.751 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.738 14.181 -1.288 1.00 0.00 H new ATOM 20 N GLU A 2 0.774 13.176 0.883 1.00 0.00 N ATOM 21 CA GLU A 2 1.695 12.054 1.004 1.00 0.00 C ATOM 22 C GLU A 2 1.098 10.953 1.875 1.00 0.00 C ATOM 23 O GLU A 2 1.096 11.052 3.102 1.00 0.00 O ATOM 24 CB GLU A 2 3.028 12.520 1.589 1.00 0.00 C ATOM 25 CG GLU A 2 4.236 11.825 0.985 1.00 0.00 C ATOM 26 CD GLU A 2 5.445 12.733 0.888 1.00 0.00 C ATOM 27 OE1 GLU A 2 5.880 13.257 1.935 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.958 12.921 -0.235 1.00 0.00 O ATOM 0 H GLU A 2 0.866 13.877 1.618 1.00 0.00 H new ATOM 0 HA GLU A 2 1.869 11.649 0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.125 13.595 1.438 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.022 12.349 2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.489 10.954 1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.980 11.460 -0.010 1.00 0.00 H new ATOM 35 N GLN A 3 0.594 9.903 1.234 1.00 0.00 N ATOM 36 CA GLN A 3 -0.005 8.785 1.951 1.00 0.00 C ATOM 37 C GLN A 3 0.421 7.455 1.341 1.00 0.00 C ATOM 38 O GLN A 3 -0.389 6.537 1.194 1.00 0.00 O ATOM 39 CB GLN A 3 -1.529 8.902 1.938 1.00 0.00 C ATOM 40 CG GLN A 3 -2.194 8.300 3.165 1.00 0.00 C ATOM 41 CD GLN A 3 -3.246 9.210 3.767 1.00 0.00 C ATOM 42 OE1 GLN A 3 -3.688 10.170 3.134 1.00 0.00 O ATOM 43 NE2 GLN A 3 -3.653 8.913 4.995 1.00 0.00 N ATOM 0 H GLN A 3 0.589 9.804 0.219 1.00 0.00 H new ATOM 0 HA GLN A 3 0.346 8.818 2.982 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.804 9.954 1.865 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.916 8.409 1.046 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.654 7.350 2.894 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.434 8.084 3.916 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.259 8.108 5.482 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.360 9.490 5.452 1.00 0.00 H new ATOM 52 N ARG A 4 1.699 7.362 0.991 1.00 0.00 N ATOM 53 CA ARG A 4 2.249 6.148 0.397 1.00 0.00 C ATOM 54 C ARG A 4 2.771 5.206 1.470 1.00 0.00 C ATOM 55 O ARG A 4 3.878 5.373 1.981 1.00 0.00 O ATOM 56 CB ARG A 4 3.369 6.498 -0.585 1.00 0.00 C ATOM 57 CG ARG A 4 2.944 7.476 -1.668 1.00 0.00 C ATOM 58 CD ARG A 4 4.043 8.482 -1.974 1.00 0.00 C ATOM 59 NE ARG A 4 3.500 9.784 -2.354 1.00 0.00 N ATOM 60 CZ ARG A 4 3.027 10.065 -3.568 1.00 0.00 C ATOM 61 NH1 ARG A 4 3.029 9.140 -4.518 1.00 0.00 N ATOM 62 NH2 ARG A 4 2.552 11.274 -3.829 1.00 0.00 N ATOM 0 H ARG A 4 2.376 8.116 1.109 1.00 0.00 H new ATOM 0 HA ARG A 4 1.448 5.642 -0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.207 6.923 -0.032 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.729 5.582 -1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 4 2.689 6.928 -2.575 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.045 8.004 -1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 4 4.683 8.597 -1.100 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.670 8.101 -2.780 1.00 0.00 H new ATOM 0 HE ARG A 4 3.482 10.521 -1.649 1.00 0.00 H new ATOM 0 HH11 ARG A 4 3.394 8.208 -4.321 1.00 0.00 H new ATOM 0 HH12 ARG A 4 2.666 9.361 -5.445 1.00 0.00 H new ATOM 0 HH21 ARG A 4 2.549 11.989 -3.101 1.00 0.00 H new ATOM 0 HH22 ARG A 4 2.190 11.490 -4.758 1.00 0.00 H new ATOM 76 N ILE A 5 1.959 4.211 1.798 1.00 0.00 N ATOM 77 CA ILE A 5 2.321 3.225 2.805 1.00 0.00 C ATOM 78 C ILE A 5 2.722 1.918 2.140 1.00 0.00 C ATOM 79 O ILE A 5 2.775 1.824 0.915 1.00 0.00 O ATOM 80 CB ILE A 5 1.158 2.949 3.781 1.00 0.00 C ATOM 81 CG1 ILE A 5 0.234 4.157 3.865 1.00 0.00 C ATOM 82 CG2 ILE A 5 1.685 2.587 5.163 1.00 0.00 C ATOM 83 CD1 ILE A 5 -0.975 3.936 4.748 1.00 0.00 C ATOM 0 H ILE A 5 1.041 4.065 1.379 1.00 0.00 H new ATOM 0 HA ILE A 5 3.159 3.635 3.369 1.00 0.00 H new ATOM 0 HB ILE A 5 0.589 2.101 3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.798 5.010 4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.102 4.417 2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.847 2.397 5.834 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.304 1.693 5.093 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.281 3.412 5.553 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.587 4.838 4.760 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.562 3.104 4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.648 3.706 5.762 1.00 0.00 H new ATOM 95 N THR A 6 2.994 0.912 2.954 1.00 0.00 N ATOM 96 CA THR A 6 3.385 -0.398 2.445 1.00 0.00 C ATOM 97 C THR A 6 2.163 -1.288 2.242 1.00 0.00 C ATOM 98 O THR A 6 1.082 -1.000 2.755 1.00 0.00 O ATOM 99 CB THR A 6 4.373 -1.073 3.397 1.00 0.00 C ATOM 100 OG1 THR A 6 3.890 -1.044 4.728 1.00 0.00 O ATOM 101 CG2 THR A 6 5.743 -0.429 3.392 1.00 0.00 C ATOM 0 H THR A 6 2.952 0.974 3.971 1.00 0.00 H new ATOM 0 HA THR A 6 3.872 -0.252 1.481 1.00 0.00 H new ATOM 0 HB THR A 6 4.468 -2.097 3.035 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.332 -1.745 5.252 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.395 -0.956 4.089 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.166 -0.481 2.389 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.656 0.614 3.695 1.00 0.00 H new ATOM 109 N LEU A 7 2.344 -2.369 1.493 1.00 0.00 N ATOM 110 CA LEU A 7 1.257 -3.303 1.225 1.00 0.00 C ATOM 111 C LEU A 7 1.074 -4.269 2.390 1.00 0.00 C ATOM 112 O LEU A 7 -0.047 -4.660 2.716 1.00 0.00 O ATOM 113 CB LEU A 7 1.532 -4.082 -0.063 1.00 0.00 C ATOM 114 CG LEU A 7 0.412 -5.027 -0.499 1.00 0.00 C ATOM 115 CD1 LEU A 7 -0.680 -4.259 -1.224 1.00 0.00 C ATOM 116 CD2 LEU A 7 0.965 -6.135 -1.382 1.00 0.00 C ATOM 0 H LEU A 7 3.233 -2.621 1.060 1.00 0.00 H new ATOM 0 HA LEU A 7 0.338 -2.730 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.720 -3.370 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.445 -4.662 0.069 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.023 -5.482 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.469 -4.947 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.095 -3.502 -0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.261 -3.776 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.155 -6.799 -1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.425 -5.698 -2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.712 -6.703 -0.828 1.00 0.00 H new ATOM 128 N LYS A 8 2.184 -4.648 3.015 1.00 0.00 N ATOM 129 CA LYS A 8 2.150 -5.569 4.144 1.00 0.00 C ATOM 130 C LYS A 8 1.480 -4.924 5.353 1.00 0.00 C ATOM 131 O LYS A 8 0.641 -5.539 6.013 1.00 0.00 O ATOM 132 CB LYS A 8 3.568 -6.012 4.509 1.00 0.00 C ATOM 133 CG LYS A 8 3.609 -7.177 5.486 1.00 0.00 C ATOM 134 CD LYS A 8 4.932 -7.226 6.235 1.00 0.00 C ATOM 135 CE LYS A 8 4.818 -8.040 7.514 1.00 0.00 C ATOM 136 NZ LYS A 8 5.368 -9.414 7.348 1.00 0.00 N ATOM 0 H LYS A 8 3.119 -4.331 2.758 1.00 0.00 H new ATOM 0 HA LYS A 8 1.567 -6.442 3.851 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.098 -6.293 3.599 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.104 -5.167 4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.789 -7.086 6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.460 -8.112 4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.699 -7.660 5.593 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.253 -6.212 6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.350 -7.530 8.317 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.772 -8.101 7.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.272 -9.937 8.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.844 -9.910 6.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.373 -9.356 7.087 1.00 0.00 H new ATOM 150 N ASP A 9 1.860 -3.682 5.641 1.00 0.00 N ATOM 151 CA ASP A 9 1.298 -2.952 6.773 1.00 0.00 C ATOM 152 C ASP A 9 -0.185 -2.676 6.564 1.00 0.00 C ATOM 153 O ASP A 9 -1.021 -3.062 7.379 1.00 0.00 O ATOM 154 CB ASP A 9 2.041 -1.631 6.976 1.00 0.00 C ATOM 155 CG ASP A 9 3.440 -1.831 7.521 1.00 0.00 C ATOM 156 OD1 ASP A 9 4.209 -2.607 6.915 1.00 0.00 O ATOM 157 OD2 ASP A 9 3.771 -1.209 8.553 1.00 0.00 O ATOM 0 H ASP A 9 2.555 -3.160 5.106 1.00 0.00 H new ATOM 0 HA ASP A 9 1.415 -3.573 7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.097 -1.100 6.026 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.474 -1.000 7.661 1.00 0.00 H new ATOM 162 N TYR A 10 -0.504 -1.996 5.468 1.00 0.00 N ATOM 163 CA TYR A 10 -1.885 -1.654 5.150 1.00 0.00 C ATOM 164 C TYR A 10 -2.792 -2.880 5.210 1.00 0.00 C ATOM 165 O TYR A 10 -3.948 -2.789 5.621 1.00 0.00 O ATOM 166 CB TYR A 10 -1.969 -1.013 3.765 1.00 0.00 C ATOM 167 CG TYR A 10 -3.237 -0.222 3.541 1.00 0.00 C ATOM 168 CD1 TYR A 10 -4.417 -0.860 3.178 1.00 0.00 C ATOM 169 CD2 TYR A 10 -3.256 1.157 3.693 1.00 0.00 C ATOM 170 CE1 TYR A 10 -5.581 -0.142 2.972 1.00 0.00 C ATOM 171 CE2 TYR A 10 -4.415 1.881 3.489 1.00 0.00 C ATOM 172 CZ TYR A 10 -5.574 1.228 3.130 1.00 0.00 C ATOM 173 OH TYR A 10 -6.730 1.946 2.926 1.00 0.00 O ATOM 0 H TYR A 10 0.178 -1.670 4.783 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.229 -0.940 5.899 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.111 -0.355 3.625 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.899 -1.794 3.008 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.425 -1.933 3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.350 1.673 3.975 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.490 -0.651 2.689 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.413 2.954 3.610 1.00 0.00 H new ATOM 0 HH TYR A 10 -6.555 2.898 3.079 1.00 0.00 H new ATOM 183 N ALA A 11 -2.262 -4.025 4.796 1.00 0.00 N ATOM 184 CA ALA A 11 -3.028 -5.266 4.801 1.00 0.00 C ATOM 185 C ALA A 11 -3.378 -5.693 6.223 1.00 0.00 C ATOM 186 O ALA A 11 -4.524 -6.036 6.514 1.00 0.00 O ATOM 187 CB ALA A 11 -2.251 -6.367 4.094 1.00 0.00 C ATOM 0 H ALA A 11 -1.306 -4.120 4.453 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.960 -5.090 4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.834 -7.288 4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.058 -6.072 3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.304 -6.531 4.608 1.00 0.00 H new ATOM 193 N MET A 12 -2.383 -5.675 7.104 1.00 0.00 N ATOM 194 CA MET A 12 -2.584 -6.066 8.492 1.00 0.00 C ATOM 195 C MET A 12 -3.221 -4.939 9.300 1.00 0.00 C ATOM 196 O MET A 12 -3.881 -5.182 10.311 1.00 0.00 O ATOM 197 CB MET A 12 -1.249 -6.475 9.123 1.00 0.00 C ATOM 198 CG MET A 12 -1.126 -7.969 9.370 1.00 0.00 C ATOM 199 SD MET A 12 0.583 -8.540 9.330 1.00 0.00 S ATOM 200 CE MET A 12 1.000 -8.244 7.614 1.00 0.00 C ATOM 0 H MET A 12 -1.429 -5.393 6.880 1.00 0.00 H new ATOM 0 HA MET A 12 -3.265 -6.917 8.506 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.436 -6.155 8.472 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.127 -5.947 10.069 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.563 -8.210 10.339 1.00 0.00 H new ATOM 0 HG3 MET A 12 -1.702 -8.507 8.617 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.730 -8.983 7.284 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.101 -8.323 7.002 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.423 -7.245 7.509 1.00 0.00 H new ATOM 210 N ARG A 13 -3.015 -3.709 8.851 1.00 0.00 N ATOM 211 CA ARG A 13 -3.563 -2.540 9.531 1.00 0.00 C ATOM 212 C ARG A 13 -5.015 -2.304 9.130 1.00 0.00 C ATOM 213 O ARG A 13 -5.920 -2.381 9.961 1.00 0.00 O ATOM 214 CB ARG A 13 -2.727 -1.299 9.211 1.00 0.00 C ATOM 215 CG ARG A 13 -2.569 -0.352 10.389 1.00 0.00 C ATOM 216 CD ARG A 13 -3.912 0.192 10.850 1.00 0.00 C ATOM 217 NE ARG A 13 -3.814 0.871 12.140 1.00 0.00 N ATOM 218 CZ ARG A 13 -4.859 1.127 12.924 1.00 0.00 C ATOM 219 NH1 ARG A 13 -6.082 0.769 12.552 1.00 0.00 N ATOM 220 NH2 ARG A 13 -4.681 1.746 14.084 1.00 0.00 N ATOM 0 H ARG A 13 -2.471 -3.493 8.016 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.528 -2.728 10.604 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.739 -1.614 8.873 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.191 -0.762 8.384 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.084 -0.874 11.214 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.917 0.475 10.108 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.298 0.886 10.103 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.628 -0.626 10.924 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.891 1.166 12.458 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.226 0.295 11.661 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.878 0.968 13.158 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.744 2.025 14.374 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.481 1.943 14.685 1.00 0.00 H new ATOM 234 N PHE A 14 -5.227 -2.006 7.854 1.00 0.00 N ATOM 235 CA PHE A 14 -6.553 -1.743 7.334 1.00 0.00 C ATOM 236 C PHE A 14 -7.274 -3.032 6.934 1.00 0.00 C ATOM 237 O PHE A 14 -8.359 -2.987 6.352 1.00 0.00 O ATOM 238 CB PHE A 14 -6.428 -0.811 6.140 1.00 0.00 C ATOM 239 CG PHE A 14 -5.862 0.530 6.505 1.00 0.00 C ATOM 240 CD1 PHE A 14 -6.684 1.541 6.967 1.00 0.00 C ATOM 241 CD2 PHE A 14 -4.505 0.776 6.402 1.00 0.00 C ATOM 242 CE1 PHE A 14 -6.167 2.765 7.310 1.00 0.00 C ATOM 243 CE2 PHE A 14 -3.984 1.997 6.746 1.00 0.00 C ATOM 244 CZ PHE A 14 -4.817 2.989 7.199 1.00 0.00 C ATOM 0 H PHE A 14 -4.485 -1.941 7.157 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.152 -1.276 8.116 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.792 -1.276 5.387 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.410 -0.675 5.687 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.746 1.365 7.059 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.847 -0.003 6.046 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.819 3.549 7.666 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.923 2.177 6.661 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.408 3.951 7.470 1.00 0.00 H new ATOM 254 N GLY A 15 -6.673 -4.177 7.250 1.00 0.00 N ATOM 255 CA GLY A 15 -7.283 -5.450 6.915 1.00 0.00 C ATOM 256 C GLY A 15 -7.431 -5.653 5.420 1.00 0.00 C ATOM 257 O GLY A 15 -7.719 -4.709 4.683 1.00 0.00 O ATOM 0 H GLY A 15 -5.776 -4.244 7.731 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.679 -6.258 7.329 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.265 -5.513 7.385 1.00 0.00 H new ATOM 261 N GLN A 16 -7.235 -6.888 4.971 1.00 0.00 N ATOM 262 CA GLN A 16 -7.349 -7.215 3.555 1.00 0.00 C ATOM 263 C GLN A 16 -8.753 -6.920 3.037 1.00 0.00 C ATOM 264 O GLN A 16 -8.936 -6.593 1.863 1.00 0.00 O ATOM 265 CB GLN A 16 -7.006 -8.688 3.322 1.00 0.00 C ATOM 266 CG GLN A 16 -5.572 -9.043 3.679 1.00 0.00 C ATOM 267 CD GLN A 16 -5.439 -9.573 5.093 1.00 0.00 C ATOM 268 OE1 GLN A 16 -6.420 -9.660 5.832 1.00 0.00 O ATOM 269 NE2 GLN A 16 -4.219 -9.933 5.478 1.00 0.00 N ATOM 0 H GLN A 16 -6.996 -7.680 5.568 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.642 -6.592 3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.682 -9.307 3.911 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.182 -8.932 2.274 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.201 -9.791 2.978 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.943 -8.160 3.565 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.434 -9.844 4.833 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.068 -10.298 6.418 1.00 0.00 H new ATOM 278 N THR A 17 -9.742 -7.037 3.918 1.00 0.00 N ATOM 279 CA THR A 17 -11.130 -6.782 3.548 1.00 0.00 C ATOM 280 C THR A 17 -11.300 -5.364 3.013 1.00 0.00 C ATOM 281 O THR A 17 -11.730 -5.168 1.876 1.00 0.00 O ATOM 282 CB THR A 17 -12.040 -6.998 4.753 1.00 0.00 C ATOM 283 OG1 THR A 17 -11.880 -8.304 5.277 1.00 0.00 O ATOM 284 CG2 THR A 17 -13.510 -6.809 4.430 1.00 0.00 C ATOM 0 H THR A 17 -9.608 -7.307 4.893 1.00 0.00 H new ATOM 0 HA THR A 17 -11.407 -7.481 2.759 1.00 0.00 H new ATOM 0 HB THR A 17 -11.741 -6.244 5.481 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.471 -8.421 6.050 1.00 0.00 H new ATOM 0 HG21 THR A 17 -14.104 -6.976 5.328 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.676 -5.794 4.069 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.808 -7.521 3.660 1.00 0.00 H new ATOM 292 N LYS A 18 -10.960 -4.379 3.837 1.00 0.00 N ATOM 293 CA LYS A 18 -11.070 -2.979 3.446 1.00 0.00 C ATOM 294 C LYS A 18 -10.000 -2.608 2.425 1.00 0.00 C ATOM 295 O LYS A 18 -10.220 -1.755 1.565 1.00 0.00 O ATOM 296 CB LYS A 18 -10.960 -2.073 4.673 1.00 0.00 C ATOM 297 CG LYS A 18 -11.670 -0.738 4.512 1.00 0.00 C ATOM 298 CD LYS A 18 -10.690 0.399 4.298 1.00 0.00 C ATOM 299 CE LYS A 18 -11.230 1.716 4.824 1.00 0.00 C ATOM 300 NZ LYS A 18 -12.540 2.064 4.201 1.00 0.00 N ATOM 0 H LYS A 18 -10.605 -4.525 4.782 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.047 -2.836 2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.375 -2.593 5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.907 -1.891 4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.356 -0.791 3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.272 -0.537 5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.749 0.167 4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.471 0.495 3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.346 1.655 5.906 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.510 2.510 4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.812 3.028 4.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.456 2.014 3.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.266 1.393 4.522 1.00 0.00 H new ATOM 314 N THR A 19 -8.853 -3.257 2.527 1.00 0.00 N ATOM 315 CA THR A 19 -7.748 -2.994 1.613 1.00 0.00 C ATOM 316 C THR A 19 -8.080 -3.478 0.205 1.00 0.00 C ATOM 317 O THR A 19 -8.049 -2.703 -0.751 1.00 0.00 O ATOM 318 CB THR A 19 -6.474 -3.679 2.112 1.00 0.00 C ATOM 319 OG1 THR A 19 -6.158 -3.253 3.425 1.00 0.00 O ATOM 320 CG2 THR A 19 -5.268 -3.409 1.238 1.00 0.00 C ATOM 0 H THR A 19 -8.660 -3.969 3.231 1.00 0.00 H new ATOM 0 HA THR A 19 -7.585 -1.917 1.579 1.00 0.00 H new ATOM 0 HB THR A 19 -6.690 -4.747 2.085 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.892 -3.487 4.031 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.399 -3.924 1.648 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.462 -3.772 0.229 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.074 -2.337 1.207 1.00 0.00 H new ATOM 328 N ALA A 20 -8.396 -4.763 0.086 1.00 0.00 N ATOM 329 CA ALA A 20 -8.734 -5.350 -1.205 1.00 0.00 C ATOM 330 C ALA A 20 -9.963 -4.680 -1.809 1.00 0.00 C ATOM 331 O ALA A 20 -10.100 -4.603 -3.030 1.00 0.00 O ATOM 332 CB ALA A 20 -8.964 -6.847 -1.058 1.00 0.00 C ATOM 0 H ALA A 20 -8.425 -5.418 0.868 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.896 -5.186 -1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.216 -7.274 -2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.058 -7.319 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.784 -7.022 -0.361 1.00 0.00 H new ATOM 338 N LYS A 21 -10.850 -4.198 -0.948 1.00 0.00 N ATOM 339 CA LYS A 21 -12.070 -3.536 -1.397 1.00 0.00 C ATOM 340 C LYS A 21 -11.770 -2.126 -1.895 1.00 0.00 C ATOM 341 O LYS A 21 -12.350 -1.670 -2.883 1.00 0.00 O ATOM 342 CB LYS A 21 -13.090 -3.484 -0.262 1.00 0.00 C ATOM 343 CG LYS A 21 -14.460 -3.002 -0.703 1.00 0.00 C ATOM 344 CD LYS A 21 -14.630 -1.508 -0.472 1.00 0.00 C ATOM 345 CE LYS A 21 -15.480 -1.223 0.759 1.00 0.00 C ATOM 346 NZ LYS A 21 -14.860 -0.181 1.627 1.00 0.00 N ATOM 0 H LYS A 21 -10.748 -4.253 0.065 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.486 -4.112 -2.224 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.186 -4.478 0.176 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.717 -2.825 0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.602 -3.226 -1.760 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.231 -3.545 -0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.651 -1.044 -0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.094 -1.055 -1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.472 -0.895 0.448 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.612 -2.142 1.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.466 -0.013 2.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.924 -0.505 1.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.757 0.703 1.089 1.00 0.00 H new ATOM 360 N ASP A 22 -10.870 -1.438 -1.206 1.00 0.00 N ATOM 361 CA ASP A 22 -10.490 -0.079 -1.579 1.00 0.00 C ATOM 362 C ASP A 22 -9.608 -0.079 -2.818 1.00 0.00 C ATOM 363 O ASP A 22 -9.663 0.841 -3.634 1.00 0.00 O ATOM 364 CB ASP A 22 -9.779 0.608 -0.416 1.00 0.00 C ATOM 365 CG ASP A 22 -10.690 1.520 0.374 1.00 0.00 C ATOM 366 OD1 ASP A 22 -11.930 1.392 0.228 1.00 0.00 O ATOM 367 OD2 ASP A 22 -10.180 2.362 1.139 1.00 0.00 O ATOM 0 H ASP A 22 -10.387 -1.798 -0.383 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.398 0.477 -1.813 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.366 -0.150 0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.939 1.186 -0.801 1.00 0.00 H new ATOM 372 N LEU A 23 -8.789 -1.117 -2.953 1.00 0.00 N ATOM 373 CA LEU A 23 -7.888 -1.236 -4.094 1.00 0.00 C ATOM 374 C LEU A 23 -8.625 -1.782 -5.314 1.00 0.00 C ATOM 375 O LEU A 23 -8.270 -1.477 -6.453 1.00 0.00 O ATOM 376 CB LEU A 23 -6.707 -2.145 -3.747 1.00 0.00 C ATOM 377 CG LEU A 23 -5.483 -1.427 -3.173 1.00 0.00 C ATOM 378 CD1 LEU A 23 -5.457 -1.539 -1.657 1.00 0.00 C ATOM 379 CD2 LEU A 23 -4.203 -1.989 -3.773 1.00 0.00 C ATOM 0 H LEU A 23 -8.731 -1.887 -2.287 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.512 -0.241 -4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.042 -2.891 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.405 -2.682 -4.646 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.551 -0.372 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.579 -1.022 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.358 -1.085 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.415 -2.590 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.344 -1.466 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.129 -3.052 -3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.217 -1.852 -4.854 1.00 0.00 H new ATOM 391 N GLY A 24 -9.650 -2.592 -5.069 1.00 0.00 N ATOM 392 CA GLY A 24 -10.410 -3.167 -6.157 1.00 0.00 C ATOM 393 C GLY A 24 -9.849 -4.492 -6.629 1.00 0.00 C ATOM 394 O GLY A 24 -9.996 -4.858 -7.794 1.00 0.00 O ATOM 0 H GLY A 24 -9.966 -2.859 -4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.443 -3.308 -5.838 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.427 -2.467 -6.992 1.00 0.00 H new ATOM 398 N VAL A 25 -9.200 -5.210 -5.719 1.00 0.00 N ATOM 399 CA VAL A 25 -8.607 -6.500 -6.045 1.00 0.00 C ATOM 400 C VAL A 25 -9.080 -7.582 -5.079 1.00 0.00 C ATOM 401 O VAL A 25 -9.876 -7.318 -4.179 1.00 0.00 O ATOM 402 CB VAL A 25 -7.068 -6.435 -6.011 1.00 0.00 C ATOM 403 CG1 VAL A 25 -6.541 -5.627 -7.187 1.00 0.00 C ATOM 404 CG2 VAL A 25 -6.588 -5.850 -4.693 1.00 0.00 C ATOM 0 H VAL A 25 -9.072 -4.920 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.931 -6.751 -7.055 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.677 -7.449 -6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.452 -5.592 -7.146 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.854 -6.096 -8.120 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.938 -4.613 -7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.499 -5.812 -4.687 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.987 -4.843 -4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.934 -6.476 -3.870 1.00 0.00 H new ATOM 414 N GLN A 26 -8.582 -8.800 -5.271 1.00 0.00 N ATOM 415 CA GLN A 26 -8.950 -9.919 -4.418 1.00 0.00 C ATOM 416 C GLN A 26 -7.922 -10.115 -3.310 1.00 0.00 C ATOM 417 O GLN A 26 -6.723 -9.931 -3.521 1.00 0.00 O ATOM 418 CB GLN A 26 -9.077 -11.201 -5.244 1.00 0.00 C ATOM 419 CG GLN A 26 -9.976 -11.053 -6.461 1.00 0.00 C ATOM 420 CD GLN A 26 -9.298 -10.317 -7.601 1.00 0.00 C ATOM 421 OE1 GLN A 26 -9.764 -9.268 -8.042 1.00 0.00 O ATOM 422 NE2 GLN A 26 -8.189 -10.867 -8.083 1.00 0.00 N ATOM 0 H GLN A 26 -7.921 -9.035 -6.012 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.914 -9.694 -3.962 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.085 -11.513 -5.571 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.467 -11.996 -4.608 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.283 -12.041 -6.803 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.882 -10.518 -6.176 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.838 -11.739 -7.686 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.688 -10.417 -8.850 1.00 0.00 H new ATOM 431 N GLN A 27 -8.400 -10.486 -2.129 1.00 0.00 N ATOM 432 CA GLN A 27 -7.527 -10.706 -0.981 1.00 0.00 C ATOM 433 C GLN A 27 -6.425 -11.707 -1.310 1.00 0.00 C ATOM 434 O GLN A 27 -5.362 -11.705 -0.686 1.00 0.00 O ATOM 435 CB GLN A 27 -8.339 -11.199 0.217 1.00 0.00 C ATOM 436 CG GLN A 27 -9.362 -10.192 0.716 1.00 0.00 C ATOM 437 CD GLN A 27 -10.680 -10.835 1.081 1.00 0.00 C ATOM 438 OE1 GLN A 27 -11.740 -10.420 0.606 1.00 0.00 O ATOM 439 NE2 GLN A 27 -10.630 -11.856 1.929 1.00 0.00 N ATOM 0 H GLN A 27 -9.390 -10.641 -1.940 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.060 -9.754 -0.729 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.853 -12.120 -0.058 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.657 -11.445 1.031 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.961 -9.674 1.587 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.530 -9.439 -0.054 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.732 -12.168 2.299 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.489 -12.328 2.210 1.00 0.00 H new ATOM 448 N SER A 28 -6.684 -12.561 -2.291 1.00 0.00 N ATOM 449 CA SER A 28 -5.717 -13.568 -2.707 1.00 0.00 C ATOM 450 C SER A 28 -4.497 -12.918 -3.351 1.00 0.00 C ATOM 451 O SER A 28 -3.384 -13.435 -3.257 1.00 0.00 O ATOM 452 CB SER A 28 -6.361 -14.553 -3.684 1.00 0.00 C ATOM 453 OG SER A 28 -7.339 -15.349 -3.038 1.00 0.00 O ATOM 0 H SER A 28 -7.559 -12.576 -2.815 1.00 0.00 H new ATOM 0 HA SER A 28 -5.391 -14.110 -1.819 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.820 -14.005 -4.507 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.593 -15.195 -4.116 1.00 0.00 H new ATOM 0 HG SER A 28 -7.736 -15.969 -3.685 1.00 0.00 H new ATOM 459 N ALA A 29 -4.714 -11.782 -4.005 1.00 0.00 N ATOM 460 CA ALA A 29 -3.633 -11.061 -4.664 1.00 0.00 C ATOM 461 C ALA A 29 -2.661 -10.474 -3.647 1.00 0.00 C ATOM 462 O ALA A 29 -1.449 -10.489 -3.852 1.00 0.00 O ATOM 463 CB ALA A 29 -4.196 -9.963 -5.555 1.00 0.00 C ATOM 0 H ALA A 29 -5.630 -11.341 -4.092 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.083 -11.770 -5.283 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.377 -9.433 -6.041 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.842 -10.405 -6.313 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.773 -9.263 -4.950 1.00 0.00 H new ATOM 469 N ILE A 30 -3.202 -9.962 -2.545 1.00 0.00 N ATOM 470 CA ILE A 30 -2.378 -9.377 -1.496 1.00 0.00 C ATOM 471 C ILE A 30 -1.492 -10.443 -0.858 1.00 0.00 C ATOM 472 O ILE A 30 -0.372 -10.161 -0.431 1.00 0.00 O ATOM 473 CB ILE A 30 -3.245 -8.700 -0.408 1.00 0.00 C ATOM 474 CG1 ILE A 30 -3.899 -7.432 -0.962 1.00 0.00 C ATOM 475 CG2 ILE A 30 -2.411 -8.366 0.823 1.00 0.00 C ATOM 476 CD1 ILE A 30 -4.930 -7.700 -2.037 1.00 0.00 C ATOM 0 H ILE A 30 -4.204 -9.941 -2.357 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.750 -8.615 -1.958 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.026 -9.400 -0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.373 -6.891 -0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.124 -6.782 -1.368 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.043 -7.891 1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.986 -9.282 1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.606 -7.686 0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.350 -6.755 -2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.458 -8.214 -2.874 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.726 -8.324 -1.631 1.00 0.00 H new ATOM 488 N ASN A 31 -2.002 -11.669 -0.800 1.00 0.00 N ATOM 489 CA ASN A 31 -1.261 -12.778 -0.220 1.00 0.00 C ATOM 490 C ASN A 31 -0.076 -13.158 -1.103 1.00 0.00 C ATOM 491 O ASN A 31 1.027 -13.391 -0.608 1.00 0.00 O ATOM 492 CB ASN A 31 -2.178 -13.988 -0.030 1.00 0.00 C ATOM 493 CG ASN A 31 -1.767 -14.843 1.153 1.00 0.00 C ATOM 494 OD1 ASN A 31 -0.980 -14.419 1.997 1.00 0.00 O ATOM 495 ND2 ASN A 31 -2.300 -16.058 1.218 1.00 0.00 N ATOM 0 H ASN A 31 -2.928 -11.918 -1.149 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.883 -12.462 0.752 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.203 -13.645 0.111 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.167 -14.595 -0.935 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.060 -16.679 1.990 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.949 -16.369 0.496 1.00 0.00 H new ATOM 502 N LYS A 32 -0.313 -13.217 -2.409 1.00 0.00 N ATOM 503 CA LYS A 32 0.733 -13.568 -3.360 1.00 0.00 C ATOM 504 C LYS A 32 1.732 -12.432 -3.525 1.00 0.00 C ATOM 505 O LYS A 32 2.890 -12.654 -3.877 1.00 0.00 O ATOM 506 CB LYS A 32 0.121 -13.922 -4.718 1.00 0.00 C ATOM 507 CG LYS A 32 -1.119 -14.797 -4.619 1.00 0.00 C ATOM 508 CD LYS A 32 -1.060 -15.964 -5.591 1.00 0.00 C ATOM 509 CE LYS A 32 -1.859 -15.677 -6.853 1.00 0.00 C ATOM 510 NZ LYS A 32 -1.440 -16.547 -7.986 1.00 0.00 N ATOM 0 H LYS A 32 -1.221 -13.026 -2.832 1.00 0.00 H new ATOM 0 HA LYS A 32 1.262 -14.436 -2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.135 -13.001 -5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.870 -14.435 -5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.218 -15.175 -3.601 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.006 -14.197 -4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.022 -16.168 -5.854 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.449 -16.861 -5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.920 -15.828 -6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.733 -14.631 -7.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.008 -16.320 -8.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.434 -16.385 -8.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.584 -17.544 -7.730 1.00 0.00 H new ATOM 524 N TRP A 33 1.273 -11.213 -3.274 1.00 0.00 N ATOM 525 CA TRP A 33 2.109 -10.038 -3.396 1.00 0.00 C ATOM 526 C TRP A 33 3.191 -10.014 -2.320 1.00 0.00 C ATOM 527 O TRP A 33 4.367 -9.801 -2.614 1.00 0.00 O ATOM 528 CB TRP A 33 1.223 -8.805 -3.290 1.00 0.00 C ATOM 529 CG TRP A 33 0.397 -8.571 -4.505 1.00 0.00 C ATOM 530 CD1 TRP A 33 0.557 -9.167 -5.704 1.00 0.00 C ATOM 531 CD2 TRP A 33 -0.725 -7.698 -4.629 1.00 0.00 C ATOM 532 NE1 TRP A 33 -0.383 -8.709 -6.594 1.00 0.00 N ATOM 533 CE2 TRP A 33 -1.187 -7.803 -5.953 1.00 0.00 C ATOM 534 CE3 TRP A 33 -1.375 -6.836 -3.752 1.00 0.00 C ATOM 535 CZ2 TRP A 33 -2.273 -7.074 -6.422 1.00 0.00 C ATOM 536 CZ3 TRP A 33 -2.459 -6.111 -4.213 1.00 0.00 C ATOM 537 CH2 TRP A 33 -2.898 -6.233 -5.540 1.00 0.00 C ATOM 0 H TRP A 33 0.316 -11.017 -2.982 1.00 0.00 H new ATOM 0 HA TRP A 33 2.615 -10.054 -4.361 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.566 -8.911 -2.427 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.848 -7.931 -3.110 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.316 -9.900 -5.932 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.469 -8.995 -7.569 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.040 -6.735 -2.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.611 -7.167 -7.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -2.975 -5.441 -3.541 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.746 -5.652 -5.873 1.00 0.00 H new ATOM 548 N ILE A 34 2.785 -10.238 -1.074 1.00 0.00 N ATOM 549 CA ILE A 34 3.722 -10.246 0.044 1.00 0.00 C ATOM 550 C ILE A 34 4.466 -11.576 0.126 1.00 0.00 C ATOM 551 O ILE A 34 5.583 -11.642 0.638 1.00 0.00 O ATOM 552 CB ILE A 34 3.003 -9.988 1.383 1.00 0.00 C ATOM 553 CG1 ILE A 34 2.114 -8.747 1.284 1.00 0.00 C ATOM 554 CG2 ILE A 34 4.016 -9.833 2.507 1.00 0.00 C ATOM 555 CD1 ILE A 34 0.925 -8.779 2.221 1.00 0.00 C ATOM 0 H ILE A 34 1.815 -10.416 -0.813 1.00 0.00 H new ATOM 0 HA ILE A 34 4.436 -9.443 -0.135 1.00 0.00 H new ATOM 0 HB ILE A 34 2.369 -10.846 1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.713 -7.863 1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.756 -8.647 0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.493 -9.651 3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.608 -10.744 2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.674 -8.992 2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.339 -7.868 2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.303 -9.644 1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.275 -8.848 3.251 1.00 0.00 H new ATOM 567 N HIS A 35 3.839 -12.632 -0.383 1.00 0.00 N ATOM 568 CA HIS A 35 4.440 -13.960 -0.368 1.00 0.00 C ATOM 569 C HIS A 35 5.743 -13.979 -1.153 1.00 0.00 C ATOM 570 O HIS A 35 6.695 -14.669 -0.788 1.00 0.00 O ATOM 571 CB HIS A 35 3.468 -14.983 -0.956 1.00 0.00 C ATOM 572 CG HIS A 35 2.760 -15.807 0.072 1.00 0.00 C ATOM 573 ND1 HIS A 35 2.717 -15.476 1.411 1.00 0.00 N ATOM 574 CD2 HIS A 35 2.061 -16.959 -0.051 1.00 0.00 C ATOM 575 CE1 HIS A 35 2.024 -16.389 2.067 1.00 0.00 C ATOM 576 NE2 HIS A 35 1.613 -17.300 1.202 1.00 0.00 N ATOM 0 H HIS A 35 2.914 -12.593 -0.811 1.00 0.00 H new ATOM 0 HA HIS A 35 4.658 -14.221 0.668 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.727 -14.460 -1.561 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.015 -15.647 -1.625 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.888 -17.508 -0.965 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.827 -16.391 3.129 1.00 0.00 H new ATOM 0 HE2 HIS A 35 1.054 -18.123 1.428 1.00 0.00 H new ATOM 585 N ALA A 36 5.768 -13.222 -2.236 1.00 0.00 N ATOM 586 CA ALA A 36 6.945 -13.145 -3.092 1.00 0.00 C ATOM 587 C ALA A 36 7.789 -11.910 -2.781 1.00 0.00 C ATOM 588 O ALA A 36 8.745 -11.608 -3.494 1.00 0.00 O ATOM 589 CB ALA A 36 6.522 -13.146 -4.552 1.00 0.00 C ATOM 0 H ALA A 36 4.984 -12.648 -2.547 1.00 0.00 H new ATOM 0 HA ALA A 36 7.564 -14.021 -2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.406 -13.088 -5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.976 -14.064 -4.772 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.880 -12.287 -4.745 1.00 0.00 H new ATOM 595 N GLY A 37 7.434 -11.200 -1.714 1.00 0.00 N ATOM 596 CA GLY A 37 8.175 -10.013 -1.334 1.00 0.00 C ATOM 597 C GLY A 37 8.078 -8.908 -2.369 1.00 0.00 C ATOM 598 O GLY A 37 8.974 -8.072 -2.478 1.00 0.00 O ATOM 0 H GLY A 37 6.646 -11.426 -1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.800 -9.645 -0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.222 -10.275 -1.185 1.00 0.00 H new ATOM 602 N ARG A 38 6.985 -8.901 -3.126 1.00 0.00 N ATOM 603 CA ARG A 38 6.776 -7.887 -4.151 1.00 0.00 C ATOM 604 C ARG A 38 6.555 -6.517 -3.518 1.00 0.00 C ATOM 605 O ARG A 38 5.482 -6.235 -2.987 1.00 0.00 O ATOM 606 CB ARG A 38 5.578 -8.257 -5.029 1.00 0.00 C ATOM 607 CG ARG A 38 5.301 -7.251 -6.135 1.00 0.00 C ATOM 608 CD ARG A 38 4.379 -7.829 -7.196 1.00 0.00 C ATOM 609 NE ARG A 38 3.775 -6.787 -8.024 1.00 0.00 N ATOM 610 CZ ARG A 38 3.240 -7.008 -9.222 1.00 0.00 C ATOM 611 NH1 ARG A 38 3.227 -8.232 -9.735 1.00 0.00 N ATOM 612 NH2 ARG A 38 2.714 -6.003 -9.909 1.00 0.00 N ATOM 0 H ARG A 38 6.232 -9.585 -3.048 1.00 0.00 H new ATOM 0 HA ARG A 38 7.670 -7.842 -4.773 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.754 -9.236 -5.475 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.692 -8.347 -4.401 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.850 -6.355 -5.709 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.241 -6.947 -6.595 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.941 -8.515 -7.830 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.593 -8.411 -6.715 1.00 0.00 H new ATOM 0 HE ARG A 38 3.763 -5.834 -7.662 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.628 -9.009 -9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.815 -8.396 -10.654 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.720 -5.061 -9.519 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.304 -6.172 -10.827 1.00 0.00 H new ATOM 626 N LYS A 39 7.580 -5.673 -3.574 1.00 0.00 N ATOM 627 CA LYS A 39 7.497 -4.334 -3.000 1.00 0.00 C ATOM 628 C LYS A 39 6.361 -3.534 -3.635 1.00 0.00 C ATOM 629 O LYS A 39 6.232 -3.481 -4.857 1.00 0.00 O ATOM 630 CB LYS A 39 8.830 -3.595 -3.171 1.00 0.00 C ATOM 631 CG LYS A 39 9.114 -3.138 -4.596 1.00 0.00 C ATOM 632 CD LYS A 39 9.439 -4.312 -5.506 1.00 0.00 C ATOM 633 CE LYS A 39 10.340 -3.893 -6.656 1.00 0.00 C ATOM 634 NZ LYS A 39 11.367 -4.927 -6.961 1.00 0.00 N ATOM 0 H LYS A 39 8.476 -5.891 -4.010 1.00 0.00 H new ATOM 0 HA LYS A 39 7.286 -4.436 -1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.837 -2.725 -2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.639 -4.248 -2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.248 -2.603 -4.986 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.948 -2.436 -4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.926 -5.097 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.515 -4.734 -5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.734 -3.710 -7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.833 -2.953 -6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.961 -4.604 -7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.961 -5.084 -6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.897 -5.817 -7.223 1.00 0.00 H new ATOM 648 N ILE A 40 5.540 -2.917 -2.791 1.00 0.00 N ATOM 649 CA ILE A 40 4.413 -2.118 -3.262 1.00 0.00 C ATOM 650 C ILE A 40 4.008 -1.079 -2.224 1.00 0.00 C ATOM 651 O ILE A 40 4.272 -1.240 -1.032 1.00 0.00 O ATOM 652 CB ILE A 40 3.191 -3.001 -3.590 1.00 0.00 C ATOM 653 CG1 ILE A 40 3.570 -4.089 -4.596 1.00 0.00 C ATOM 654 CG2 ILE A 40 2.048 -2.148 -4.126 1.00 0.00 C ATOM 655 CD1 ILE A 40 2.392 -4.914 -5.068 1.00 0.00 C ATOM 0 H ILE A 40 5.634 -2.955 -1.776 1.00 0.00 H new ATOM 0 HA ILE A 40 4.741 -1.615 -4.172 1.00 0.00 H new ATOM 0 HB ILE A 40 2.858 -3.486 -2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.047 -3.624 -5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.308 -4.751 -4.142 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.193 -2.786 -4.353 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.762 -1.411 -3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.370 -1.637 -5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.736 -5.665 -5.779 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.928 -5.408 -4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.663 -4.264 -5.551 1.00 0.00 H new ATOM 667 N PHE A 41 3.358 -0.015 -2.683 1.00 0.00 N ATOM 668 CA PHE A 41 2.908 1.048 -1.792 1.00 0.00 C ATOM 669 C PHE A 41 1.591 1.641 -2.276 1.00 0.00 C ATOM 670 O PHE A 41 1.477 2.065 -3.426 1.00 0.00 O ATOM 671 CB PHE A 41 3.961 2.154 -1.690 1.00 0.00 C ATOM 672 CG PHE A 41 5.205 1.739 -0.956 1.00 0.00 C ATOM 673 CD1 PHE A 41 6.131 0.899 -1.555 1.00 0.00 C ATOM 674 CD2 PHE A 41 5.451 2.190 0.330 1.00 0.00 C ATOM 675 CE1 PHE A 41 7.276 0.516 -0.884 1.00 0.00 C ATOM 676 CE2 PHE A 41 6.595 1.812 1.007 1.00 0.00 C ATOM 677 CZ PHE A 41 7.509 0.973 0.399 1.00 0.00 C ATOM 0 H PHE A 41 3.131 0.134 -3.666 1.00 0.00 H new ATOM 0 HA PHE A 41 2.757 0.610 -0.805 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.234 2.477 -2.695 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.523 3.015 -1.186 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.955 0.540 -2.558 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.740 2.846 0.810 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.989 -0.140 -1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.774 2.172 2.009 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.404 0.675 0.925 1.00 0.00 H new ATOM 687 N LEU A 42 0.601 1.674 -1.391 1.00 0.00 N ATOM 688 CA LEU A 42 -0.702 2.224 -1.736 1.00 0.00 C ATOM 689 C LEU A 42 -0.806 3.681 -1.302 1.00 0.00 C ATOM 690 O LEU A 42 -0.089 4.124 -0.406 1.00 0.00 O ATOM 691 CB LEU A 42 -1.839 1.407 -1.105 1.00 0.00 C ATOM 692 CG LEU A 42 -1.483 0.600 0.150 1.00 0.00 C ATOM 693 CD1 LEU A 42 -0.578 -0.575 -0.196 1.00 0.00 C ATOM 694 CD2 LEU A 42 -0.844 1.489 1.208 1.00 0.00 C ATOM 0 H LEU A 42 0.676 1.328 -0.434 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.802 2.170 -2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.651 2.089 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.223 0.718 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.408 0.200 0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.340 -1.131 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.088 -1.232 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.343 -0.205 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.602 0.892 2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.068 1.933 0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.540 2.280 1.487 1.00 0.00 H new ATOM 706 N THR A 43 -1.701 4.422 -1.941 1.00 0.00 N ATOM 707 CA THR A 43 -1.896 5.829 -1.614 1.00 0.00 C ATOM 708 C THR A 43 -3.353 6.108 -1.272 1.00 0.00 C ATOM 709 O THR A 43 -4.248 5.905 -2.096 1.00 0.00 O ATOM 710 CB THR A 43 -1.453 6.715 -2.778 1.00 0.00 C ATOM 711 OG1 THR A 43 -0.489 6.052 -3.576 1.00 0.00 O ATOM 712 CG2 THR A 43 -0.852 8.030 -2.328 1.00 0.00 C ATOM 0 H THR A 43 -2.303 4.074 -2.687 1.00 0.00 H new ATOM 0 HA THR A 43 -1.285 6.061 -0.742 1.00 0.00 H new ATOM 0 HB THR A 43 -2.359 6.921 -3.348 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.462 6.463 -4.465 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.558 8.613 -3.201 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.589 8.588 -1.750 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.024 7.837 -1.709 1.00 0.00 H new ATOM 720 N ILE A 44 -3.586 6.572 -0.049 1.00 0.00 N ATOM 721 CA ILE A 44 -4.937 6.881 0.406 1.00 0.00 C ATOM 722 C ILE A 44 -5.342 8.291 -0.007 1.00 0.00 C ATOM 723 O ILE A 44 -4.720 9.273 0.402 1.00 0.00 O ATOM 724 CB ILE A 44 -5.063 6.750 1.936 1.00 0.00 C ATOM 725 CG1 ILE A 44 -4.436 5.441 2.418 1.00 0.00 C ATOM 726 CG2 ILE A 44 -6.524 6.827 2.352 1.00 0.00 C ATOM 727 CD1 ILE A 44 -4.135 5.423 3.900 1.00 0.00 C ATOM 0 H ILE A 44 -2.858 6.742 0.645 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.603 6.158 -0.066 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.525 7.577 2.400 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.110 4.617 2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.513 5.265 1.866 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.599 6.733 3.435 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.941 7.785 2.041 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.080 6.018 1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.692 4.464 4.170 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.437 6.225 4.139 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.059 5.567 4.461 1.00 0.00 H new ATOM 739 N ASN A 45 -6.389 8.387 -0.820 1.00 0.00 N ATOM 740 CA ASN A 45 -6.878 9.679 -1.287 1.00 0.00 C ATOM 741 C ASN A 45 -7.735 10.355 -0.223 1.00 0.00 C ATOM 742 O ASN A 45 -8.162 9.720 0.742 1.00 0.00 O ATOM 743 CB ASN A 45 -7.684 9.507 -2.576 1.00 0.00 C ATOM 744 CG ASN A 45 -6.878 8.846 -3.678 1.00 0.00 C ATOM 745 OD1 ASN A 45 -5.648 8.838 -3.644 1.00 0.00 O ATOM 746 ND2 ASN A 45 -7.571 8.287 -4.663 1.00 0.00 N ATOM 0 H ASN A 45 -6.915 7.586 -1.169 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.015 10.314 -1.488 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.571 8.908 -2.369 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.030 10.482 -2.918 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.084 7.827 -5.432 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.590 8.317 -4.650 1.00 0.00 H new ATOM 753 N ALA A 46 -7.985 11.648 -0.403 1.00 0.00 N ATOM 754 CA ALA A 46 -8.792 12.413 0.542 1.00 0.00 C ATOM 755 C ALA A 46 -10.270 12.082 0.406 1.00 0.00 C ATOM 756 O ALA A 46 -11.090 12.546 1.197 1.00 0.00 O ATOM 757 CB ALA A 46 -8.565 13.904 0.341 1.00 0.00 C ATOM 0 H ALA A 46 -7.640 12.189 -1.196 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.479 12.137 1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.173 14.464 1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.512 14.137 0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.847 14.181 -0.675 1.00 0.00 H new ATOM 763 N ASP A 47 -10.620 11.276 -0.596 1.00 0.00 N ATOM 764 CA ASP A 47 -12.000 10.888 -0.827 1.00 0.00 C ATOM 765 C ASP A 47 -12.300 9.529 -0.201 1.00 0.00 C ATOM 766 O ASP A 47 -13.460 9.170 0.001 1.00 0.00 O ATOM 767 CB ASP A 47 -12.310 10.847 -2.329 1.00 0.00 C ATOM 768 CG ASP A 47 -11.090 10.606 -3.191 1.00 0.00 C ATOM 769 OD1 ASP A 47 -10.190 11.474 -3.203 1.00 0.00 O ATOM 770 OD2 ASP A 47 -11.020 9.549 -3.854 1.00 0.00 O ATOM 0 H ASP A 47 -9.957 10.880 -1.262 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.636 11.637 -0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.041 10.061 -2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.772 11.790 -2.622 1.00 0.00 H new ATOM 775 N GLY A 48 -11.250 8.773 0.096 1.00 0.00 N ATOM 776 CA GLY A 48 -11.420 7.460 0.688 1.00 0.00 C ATOM 777 C GLY A 48 -10.940 6.346 -0.222 1.00 0.00 C ATOM 778 O GLY A 48 -11.170 5.167 0.058 1.00 0.00 O ATOM 0 H GLY A 48 -10.281 9.047 -0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.873 7.416 1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.473 7.305 0.923 1.00 0.00 H new ATOM 782 N SER A 49 -10.270 6.714 -1.312 1.00 0.00 N ATOM 783 CA SER A 49 -9.763 5.736 -2.262 1.00 0.00 C ATOM 784 C SER A 49 -8.366 5.274 -1.863 1.00 0.00 C ATOM 785 O SER A 49 -7.662 5.960 -1.122 1.00 0.00 O ATOM 786 CB SER A 49 -9.741 6.326 -3.669 1.00 0.00 C ATOM 787 OG SER A 49 -10.590 5.600 -4.541 1.00 0.00 O ATOM 0 H SER A 49 -10.067 7.683 -1.556 1.00 0.00 H new ATOM 0 HA SER A 49 -10.428 4.872 -2.254 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.057 7.369 -3.634 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.722 6.314 -4.056 1.00 0.00 H new ATOM 0 HG SER A 49 -10.559 5.999 -5.435 1.00 0.00 H new ATOM 793 N VAL A 50 -7.971 4.107 -2.358 1.00 0.00 N ATOM 794 CA VAL A 50 -6.657 3.551 -2.054 1.00 0.00 C ATOM 795 C VAL A 50 -6.149 2.694 -3.206 1.00 0.00 C ATOM 796 O VAL A 50 -6.595 1.563 -3.392 1.00 0.00 O ATOM 797 CB VAL A 50 -6.679 2.698 -0.767 1.00 0.00 C ATOM 798 CG1 VAL A 50 -5.312 2.709 -0.103 1.00 0.00 C ATOM 799 CG2 VAL A 50 -7.747 3.192 0.197 1.00 0.00 C ATOM 0 H VAL A 50 -8.542 3.527 -2.972 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.987 4.397 -1.903 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.924 1.672 -1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.343 2.104 0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.571 2.298 -0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.041 3.733 0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.741 2.574 1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.542 4.228 0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.725 3.129 -0.280 1.00 0.00 H new ATOM 809 N TYR A 51 -5.215 3.239 -3.978 1.00 0.00 N ATOM 810 CA TYR A 51 -4.648 2.517 -5.113 1.00 0.00 C ATOM 811 C TYR A 51 -3.276 1.953 -4.764 1.00 0.00 C ATOM 812 O TYR A 51 -2.837 2.033 -3.617 1.00 0.00 O ATOM 813 CB TYR A 51 -4.550 3.430 -6.337 1.00 0.00 C ATOM 814 CG TYR A 51 -3.607 4.599 -6.156 1.00 0.00 C ATOM 815 CD1 TYR A 51 -2.233 4.433 -6.277 1.00 0.00 C ATOM 816 CD2 TYR A 51 -4.092 5.869 -5.869 1.00 0.00 C ATOM 817 CE1 TYR A 51 -1.369 5.499 -6.116 1.00 0.00 C ATOM 818 CE2 TYR A 51 -3.233 6.940 -5.709 1.00 0.00 C ATOM 819 CZ TYR A 51 -1.873 6.750 -5.833 1.00 0.00 C ATOM 820 OH TYR A 51 -1.016 7.815 -5.672 1.00 0.00 O ATOM 0 H TYR A 51 -4.835 4.175 -3.840 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.312 1.686 -5.351 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.222 2.840 -7.193 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.543 3.811 -6.575 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.834 3.455 -6.501 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.157 6.022 -5.769 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.303 5.353 -6.212 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.625 7.922 -5.488 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.533 8.625 -5.478 1.00 0.00 H new ATOM 830 N ALA A 52 -2.603 1.381 -5.756 1.00 0.00 N ATOM 831 CA ALA A 52 -1.281 0.803 -5.546 1.00 0.00 C ATOM 832 C ALA A 52 -0.317 1.211 -6.656 1.00 0.00 C ATOM 833 O ALA A 52 -0.723 1.419 -7.800 1.00 0.00 O ATOM 834 CB ALA A 52 -1.376 -0.712 -5.458 1.00 0.00 C ATOM 0 H ALA A 52 -2.950 1.305 -6.712 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.890 1.188 -4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.382 -1.130 -5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.022 -0.988 -4.624 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.793 -1.105 -6.385 1.00 0.00 H new ATOM 840 N GLU A 53 0.962 1.319 -6.311 1.00 0.00 N ATOM 841 CA GLU A 53 1.985 1.700 -7.277 1.00 0.00 C ATOM 842 C GLU A 53 3.264 0.901 -7.055 1.00 0.00 C ATOM 843 O GLU A 53 3.362 0.116 -6.111 1.00 0.00 O ATOM 844 CB GLU A 53 2.281 3.198 -7.173 1.00 0.00 C ATOM 845 CG GLU A 53 2.728 3.635 -5.788 1.00 0.00 C ATOM 846 CD GLU A 53 3.272 5.051 -5.770 1.00 0.00 C ATOM 847 OE1 GLU A 53 2.702 5.913 -6.472 1.00 0.00 O ATOM 848 OE2 GLU A 53 4.266 5.296 -5.056 1.00 0.00 O ATOM 0 H GLU A 53 1.314 1.148 -5.369 1.00 0.00 H new ATOM 0 HA GLU A 53 1.608 1.480 -8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.056 3.458 -7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.387 3.757 -7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.886 3.565 -5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.495 2.951 -5.425 1.00 0.00 H new ATOM 855 N GLU A 54 4.245 1.105 -7.930 1.00 0.00 N ATOM 856 CA GLU A 54 5.519 0.401 -7.828 1.00 0.00 C ATOM 857 C GLU A 54 6.686 1.382 -7.836 1.00 0.00 C ATOM 858 O GLU A 54 6.621 2.438 -8.467 1.00 0.00 O ATOM 859 CB GLU A 54 5.668 -0.597 -8.980 1.00 0.00 C ATOM 860 CG GLU A 54 6.438 -1.851 -8.601 1.00 0.00 C ATOM 861 CD GLU A 54 6.812 -2.691 -9.807 1.00 0.00 C ATOM 862 OE1 GLU A 54 6.982 -2.115 -10.901 1.00 0.00 O ATOM 863 OE2 GLU A 54 6.932 -3.925 -9.655 1.00 0.00 O ATOM 0 H GLU A 54 4.182 1.751 -8.717 1.00 0.00 H new ATOM 0 HA GLU A 54 5.531 -0.141 -6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.677 -0.882 -9.334 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.174 -0.107 -9.811 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.344 -1.569 -8.064 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.836 -2.450 -7.918 1.00 0.00 H new ATOM 870 N VAL A 55 7.756 1.025 -7.134 1.00 0.00 N ATOM 871 CA VAL A 55 8.941 1.871 -7.058 1.00 0.00 C ATOM 872 C VAL A 55 10.195 1.094 -7.449 1.00 0.00 C ATOM 873 O VAL A 55 10.941 0.628 -6.586 1.00 0.00 O ATOM 874 CB VAL A 55 9.129 2.452 -5.644 1.00 0.00 C ATOM 875 CG1 VAL A 55 10.246 3.484 -5.632 1.00 0.00 C ATOM 876 CG2 VAL A 55 7.829 3.060 -5.140 1.00 0.00 C ATOM 0 H VAL A 55 7.827 0.154 -6.609 1.00 0.00 H new ATOM 0 HA VAL A 55 8.790 2.691 -7.760 1.00 0.00 H new ATOM 0 HB VAL A 55 9.410 1.640 -4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.363 3.882 -4.624 1.00 0.00 H new ATOM 0 HG12 VAL A 55 11.178 3.015 -5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.999 4.296 -6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.981 3.465 -4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.517 3.859 -5.812 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.057 2.291 -5.107 1.00 0.00 H new ATOM 886 N LYS A 56 10.418 0.957 -8.751 1.00 0.00 N ATOM 887 CA LYS A 56 11.579 0.234 -9.256 1.00 0.00 C ATOM 888 C LYS A 56 12.144 0.914 -10.501 1.00 0.00 C ATOM 889 O LYS A 56 11.664 0.687 -11.612 1.00 0.00 O ATOM 890 CB LYS A 56 11.203 -1.212 -9.578 1.00 0.00 C ATOM 891 CG LYS A 56 10.086 -1.337 -10.601 1.00 0.00 C ATOM 892 CD LYS A 56 10.600 -1.872 -11.928 1.00 0.00 C ATOM 893 CE LYS A 56 9.732 -1.410 -13.089 1.00 0.00 C ATOM 894 NZ LYS A 56 8.730 -2.440 -13.478 1.00 0.00 N ATOM 0 H LYS A 56 9.810 1.337 -9.476 1.00 0.00 H new ATOM 0 HA LYS A 56 12.346 0.240 -8.481 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.085 -1.734 -9.950 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.900 -1.713 -8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.312 -2.000 -10.216 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.623 -0.363 -10.756 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.626 -1.538 -12.084 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.621 -2.961 -11.899 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.218 -0.489 -12.814 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.365 -1.178 -13.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.264 -2.154 -14.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.207 -3.353 -13.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.018 -2.533 -12.726 1.00 0.00 H new ATOM 908 N PRO A 57 13.175 1.763 -10.336 1.00 0.00 N ATOM 909 CA PRO A 57 13.799 2.474 -11.458 1.00 0.00 C ATOM 910 C PRO A 57 14.565 1.534 -12.382 1.00 0.00 C ATOM 911 O PRO A 57 14.697 0.342 -12.102 1.00 0.00 O ATOM 912 CB PRO A 57 14.758 3.451 -10.775 1.00 0.00 C ATOM 913 CG PRO A 57 15.062 2.827 -9.459 1.00 0.00 C ATOM 914 CD PRO A 57 13.813 2.097 -9.049 1.00 0.00 C ATOM 0 HA PRO A 57 13.059 2.960 -12.094 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.664 3.593 -11.364 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.301 4.433 -10.651 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.906 2.142 -9.537 1.00 0.00 H new ATOM 0 HG3 PRO A 57 15.332 3.583 -8.722 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.042 1.202 -8.470 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.168 2.721 -8.430 1.00 0.00 H new ATOM 922 N ASP A 58 15.067 2.076 -13.487 1.00 0.00 N ATOM 923 CA ASP A 58 15.819 1.286 -14.453 1.00 0.00 C ATOM 924 C ASP A 58 16.677 2.183 -15.342 1.00 0.00 C ATOM 925 O ASP A 58 16.315 2.470 -16.484 1.00 0.00 O ATOM 926 CB ASP A 58 14.868 0.454 -15.314 1.00 0.00 C ATOM 927 CG ASP A 58 15.566 -0.711 -15.987 1.00 0.00 C ATOM 928 OD1 ASP A 58 16.808 -0.663 -16.118 1.00 0.00 O ATOM 929 OD2 ASP A 58 14.873 -1.671 -16.385 1.00 0.00 O ATOM 0 H ASP A 58 14.966 3.060 -13.735 1.00 0.00 H new ATOM 0 HA ASP A 58 16.478 0.616 -13.901 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.056 0.077 -14.693 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.418 1.093 -16.074 1.00 0.00 H new ATOM 934 N PRO A 59 17.833 2.639 -14.831 1.00 0.00 N ATOM 935 CA PRO A 59 18.743 3.506 -15.584 1.00 0.00 C ATOM 936 C PRO A 59 19.443 2.764 -16.718 1.00 0.00 C ATOM 937 O PRO A 59 20.549 2.251 -16.546 1.00 0.00 O ATOM 938 CB PRO A 59 19.757 3.959 -14.533 1.00 0.00 C ATOM 939 CG PRO A 59 19.751 2.876 -13.513 1.00 0.00 C ATOM 940 CD PRO A 59 18.344 2.346 -13.477 1.00 0.00 C ATOM 0 HA PRO A 59 18.216 4.329 -16.066 1.00 0.00 H new ATOM 0 HB2 PRO A 59 20.748 4.088 -14.968 1.00 0.00 H new ATOM 0 HB3 PRO A 59 19.474 4.917 -14.096 1.00 0.00 H new ATOM 0 HG2 PRO A 59 20.458 2.089 -13.776 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.049 3.258 -12.537 1.00 0.00 H new ATOM 0 HD2 PRO A 59 18.322 1.278 -13.262 1.00 0.00 H new ATOM 0 HD3 PRO A 59 17.749 2.838 -12.708 1.00 0.00 H new ATOM 948 N SER A 60 18.793 2.714 -17.876 1.00 0.00 N ATOM 949 CA SER A 60 19.356 2.035 -19.039 1.00 0.00 C ATOM 950 C SER A 60 18.904 2.706 -20.332 1.00 0.00 C ATOM 951 O SER A 60 18.003 2.220 -21.014 1.00 0.00 O ATOM 952 CB SER A 60 18.944 0.562 -19.045 1.00 0.00 C ATOM 953 OG SER A 60 17.669 0.386 -18.452 1.00 0.00 O ATOM 0 H SER A 60 17.877 3.135 -18.035 1.00 0.00 H new ATOM 0 HA SER A 60 20.442 2.101 -18.976 1.00 0.00 H new ATOM 0 HB2 SER A 60 18.926 0.190 -20.070 1.00 0.00 H new ATOM 0 HB3 SER A 60 19.684 -0.028 -18.505 1.00 0.00 H new ATOM 0 HG SER A 60 17.772 -0.045 -17.578 1.00 0.00 H new ATOM 959 N ASN A 61 19.536 3.827 -20.663 1.00 0.00 N ATOM 960 CA ASN A 61 19.199 4.567 -21.873 1.00 0.00 C ATOM 961 C ASN A 61 20.437 4.793 -22.735 1.00 0.00 C ATOM 962 O ASN A 61 21.510 5.114 -22.223 1.00 0.00 O ATOM 963 CB ASN A 61 18.560 5.909 -21.516 1.00 0.00 C ATOM 964 CG ASN A 61 17.117 5.764 -21.070 1.00 0.00 C ATOM 965 OD1 ASN A 61 16.200 6.246 -21.733 1.00 0.00 O ATOM 966 ND2 ASN A 61 16.912 5.097 -19.940 1.00 0.00 N ATOM 0 H ASN A 61 20.285 4.243 -20.110 1.00 0.00 H new ATOM 0 HA ASN A 61 18.484 3.974 -22.443 1.00 0.00 H new ATOM 0 HB2 ASN A 61 19.137 6.383 -20.722 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.605 6.571 -22.381 1.00 0.00 H new ATOM 0 HD21 ASN A 61 15.963 4.967 -19.589 1.00 0.00 H new ATOM 0 HD22 ASN A 61 17.704 4.714 -19.423 1.00 0.00 H new ATOM 973 N LYS A 62 20.281 4.624 -24.043 1.00 0.00 N ATOM 974 CA LYS A 62 21.387 4.811 -24.975 1.00 0.00 C ATOM 975 C LYS A 62 20.972 5.701 -26.143 1.00 0.00 C ATOM 976 O LYS A 62 21.451 6.825 -26.281 1.00 0.00 O ATOM 977 CB LYS A 62 21.875 3.459 -25.498 1.00 0.00 C ATOM 978 CG LYS A 62 23.381 3.386 -25.683 1.00 0.00 C ATOM 979 CD LYS A 62 23.871 1.947 -25.718 1.00 0.00 C ATOM 980 CE LYS A 62 25.370 1.873 -25.953 1.00 0.00 C ATOM 981 NZ LYS A 62 25.968 0.651 -25.348 1.00 0.00 N ATOM 0 H LYS A 62 19.400 4.358 -24.482 1.00 0.00 H new ATOM 0 HA LYS A 62 22.200 5.301 -24.440 1.00 0.00 H new ATOM 0 HB2 LYS A 62 21.564 2.677 -24.805 1.00 0.00 H new ATOM 0 HB3 LYS A 62 21.390 3.251 -26.452 1.00 0.00 H new ATOM 0 HG2 LYS A 62 23.659 3.888 -26.609 1.00 0.00 H new ATOM 0 HG3 LYS A 62 23.874 3.919 -24.870 1.00 0.00 H new ATOM 0 HD2 LYS A 62 23.625 1.455 -24.777 1.00 0.00 H new ATOM 0 HD3 LYS A 62 23.351 1.404 -26.507 1.00 0.00 H new ATOM 0 HE2 LYS A 62 25.570 1.883 -27.024 1.00 0.00 H new ATOM 0 HE3 LYS A 62 25.848 2.758 -25.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 26.992 0.638 -25.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 25.800 0.654 -24.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 25.531 -0.194 -25.768 1.00 0.00 H new ATOM 995 N LYS A 63 20.074 5.188 -26.980 1.00 0.00 N ATOM 996 CA LYS A 63 19.594 5.936 -28.136 1.00 0.00 C ATOM 997 C LYS A 63 18.154 6.395 -27.927 1.00 0.00 C ATOM 998 O LYS A 63 17.341 5.677 -27.343 1.00 0.00 O ATOM 999 CB LYS A 63 19.690 5.081 -29.401 1.00 0.00 C ATOM 1000 CG LYS A 63 21.036 5.177 -30.098 1.00 0.00 C ATOM 1001 CD LYS A 63 21.312 3.948 -30.948 1.00 0.00 C ATOM 1002 CE LYS A 63 21.767 2.773 -30.099 1.00 0.00 C ATOM 1003 NZ LYS A 63 22.438 1.723 -30.915 1.00 0.00 N ATOM 0 H LYS A 63 19.665 4.259 -26.879 1.00 0.00 H new ATOM 0 HA LYS A 63 20.225 6.817 -28.254 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.498 4.040 -29.141 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.908 5.386 -30.096 1.00 0.00 H new ATOM 0 HG2 LYS A 63 21.059 6.068 -30.726 1.00 0.00 H new ATOM 0 HG3 LYS A 63 21.825 5.291 -29.354 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.411 3.674 -31.497 1.00 0.00 H new ATOM 0 HD3 LYS A 63 22.077 4.181 -31.688 1.00 0.00 H new ATOM 0 HE2 LYS A 63 22.452 3.126 -29.328 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.907 2.341 -29.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 22.733 0.939 -30.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 21.777 1.367 -31.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 23.274 2.128 -31.383 1.00 0.00 H new ATOM 1017 N THR A 64 17.845 7.594 -28.408 1.00 0.00 N ATOM 1018 CA THR A 64 16.502 8.149 -28.273 1.00 0.00 C ATOM 1019 C THR A 64 15.754 8.089 -29.602 1.00 0.00 C ATOM 1020 O THR A 64 16.200 8.650 -30.602 1.00 0.00 O ATOM 1021 CB THR A 64 16.572 9.595 -27.779 1.00 0.00 C ATOM 1022 OG1 THR A 64 15.293 10.202 -27.826 1.00 0.00 O ATOM 1023 CG2 THR A 64 17.520 10.457 -28.583 1.00 0.00 C ATOM 0 H THR A 64 18.505 8.200 -28.895 1.00 0.00 H new ATOM 0 HA THR A 64 15.959 7.549 -27.542 1.00 0.00 H new ATOM 0 HB THR A 64 16.943 9.534 -26.756 1.00 0.00 H new ATOM 0 HG1 THR A 64 15.357 11.126 -27.505 1.00 0.00 H new ATOM 0 HG21 THR A 64 17.522 11.470 -28.180 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.526 10.042 -28.526 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.196 10.481 -29.623 1.00 0.00 H new ATOM 1031 N THR A 65 14.615 7.404 -29.603 1.00 0.00 N ATOM 1032 CA THR A 65 13.804 7.270 -30.809 1.00 0.00 C ATOM 1033 C THR A 65 12.418 7.872 -30.601 1.00 0.00 C ATOM 1034 O THR A 65 11.437 7.410 -31.186 1.00 0.00 O ATOM 1035 CB THR A 65 13.680 5.798 -31.203 1.00 0.00 C ATOM 1036 OG1 THR A 65 13.138 5.038 -30.138 1.00 0.00 O ATOM 1037 CG2 THR A 65 15.001 5.169 -31.589 1.00 0.00 C ATOM 0 H THR A 65 14.232 6.933 -28.783 1.00 0.00 H new ATOM 0 HA THR A 65 14.299 7.814 -31.614 1.00 0.00 H new ATOM 0 HB THR A 65 13.022 5.786 -32.072 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.065 4.099 -30.410 1.00 0.00 H new ATOM 0 HG21 THR A 65 14.842 4.125 -31.857 1.00 0.00 H new ATOM 0 HG22 THR A 65 15.423 5.702 -32.441 1.00 0.00 H new ATOM 0 HG23 THR A 65 15.691 5.226 -30.747 1.00 0.00 H new ATOM 1045 N ALA A 66 12.345 8.904 -29.766 1.00 0.00 N ATOM 1046 CA ALA A 66 11.078 9.568 -29.484 1.00 0.00 C ATOM 1047 C ALA A 66 11.286 10.790 -28.598 1.00 0.00 C ATOM 1048 O ALA A 66 12.155 10.731 -27.702 1.00 0.00 O ATOM 1049 CB ALA A 66 10.108 8.596 -28.829 1.00 0.00 C ATOM 1050 OXT ALA A 66 10.579 11.799 -28.805 1.00 0.00 O ATOM 0 H ALA A 66 13.147 9.298 -29.274 1.00 0.00 H new ATOM 0 HA ALA A 66 10.653 9.906 -30.429 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.166 9.105 -28.624 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.928 7.755 -29.499 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.534 8.231 -27.895 1.00 0.00 H new TER 1056 ALA A 66