USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 437 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 29 GLN : amide:sc= 1.03 K(o=2.3,f=-4.8) USER MOD Set 1.2: A 48 LYS NZ :NH3+ -155:sc= 1.31 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= 1.31 (180deg=1.24) USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= 2.01 (180deg=1.76) USER MOD Single : A 31 GLN : amide:sc= -1.21 K(o=-1.2,f=-5.8!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl -141:sc= -0.166 (180deg=-0.655) USER MOD Single : A 42 HIS : no HD1:sc= -0.676 K(o=-0.68,f=0.19) USER MOD Single : A 43 ASN : amide:sc= -0.205 K(o=-0.2,f=-0.75) USER MOD Single : A 47 ASN : amide:sc=-0.00448 X(o=-0.0045,f=-0.0047) USER MOD Single : A 51 SER OG : rot -20:sc= 0.673 USER MOD Single : A 53 LYS NZ :NH3+ -169:sc= 1.13 (180deg=0.991) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -1:sc= -1.79! USER MOD Single : A 59 THR OG1 : rot -150:sc= 0.0657 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 87:sc= 1.05 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 20 0.193 -1.497 -2.130 1.00 45.01 N ATOM 26 CA ASP A 20 -0.554 -0.705 -3.093 1.00 23.03 C ATOM 27 C ASP A 20 -0.553 0.768 -2.698 1.00 61.34 C ATOM 28 O ASP A 20 -0.894 1.128 -1.570 1.00 0.04 O ATOM 29 CB ASP A 20 -1.993 -1.218 -3.214 1.00 64.31 C ATOM 30 CG ASP A 20 -2.812 -0.986 -1.958 1.00 75.02 C ATOM 31 OD1 ASP A 20 -2.512 -1.615 -0.917 1.00 31.02 O ATOM 32 OD2 ASP A 20 -3.768 -0.185 -2.005 1.00 75.45 O ATOM 0 HA ASP A 20 -0.066 -0.804 -4.062 1.00 23.03 H new ATOM 0 HB2 ASP A 20 -2.480 -0.724 -4.055 1.00 64.31 H new ATOM 0 HB3 ASP A 20 -1.975 -2.285 -3.438 1.00 64.31 H new ATOM 37 N LYS A 21 -0.115 1.601 -3.619 1.00 51.50 N ATOM 38 CA LYS A 21 -0.151 3.044 -3.455 1.00 13.41 C ATOM 39 C LYS A 21 -0.237 3.668 -4.840 1.00 61.20 C ATOM 40 O LYS A 21 0.698 3.536 -5.632 1.00 61.11 O ATOM 41 CB LYS A 21 1.123 3.523 -2.748 1.00 22.23 C ATOM 42 CG LYS A 21 0.908 4.677 -1.785 1.00 50.35 C ATOM 43 CD LYS A 21 0.235 4.204 -0.507 1.00 11.22 C ATOM 44 CE LYS A 21 0.088 5.329 0.501 1.00 33.35 C ATOM 45 NZ LYS A 21 -0.508 4.854 1.779 1.00 72.23 N ATOM 0 H LYS A 21 0.279 1.296 -4.509 1.00 51.50 H new ATOM 0 HA LYS A 21 -1.010 3.335 -2.851 1.00 13.41 H new ATOM 0 HB2 LYS A 21 1.558 2.686 -2.202 1.00 22.23 H new ATOM 0 HB3 LYS A 21 1.851 3.825 -3.501 1.00 22.23 H new ATOM 0 HG2 LYS A 21 1.866 5.139 -1.546 1.00 50.35 H new ATOM 0 HG3 LYS A 21 0.295 5.443 -2.261 1.00 50.35 H new ATOM 0 HD2 LYS A 21 -0.748 3.796 -0.743 1.00 11.22 H new ATOM 0 HD3 LYS A 21 0.818 3.395 -0.067 1.00 11.22 H new ATOM 0 HE2 LYS A 21 1.065 5.770 0.698 1.00 33.35 H new ATOM 0 HE3 LYS A 21 -0.538 6.115 0.079 1.00 33.35 H new ATOM 0 HZ1 LYS A 21 -0.841 5.670 2.331 1.00 72.23 H new ATOM 0 HZ2 LYS A 21 -1.310 4.224 1.575 1.00 72.23 H new ATOM 0 HZ3 LYS A 21 0.210 4.336 2.325 1.00 72.23 H new ATOM 59 N ASP A 22 -1.337 4.337 -5.152 1.00 61.13 N ATOM 60 CA ASP A 22 -1.514 4.852 -6.501 1.00 30.34 C ATOM 61 C ASP A 22 -0.782 6.178 -6.679 1.00 34.53 C ATOM 62 O ASP A 22 -1.213 7.229 -6.205 1.00 24.32 O ATOM 63 CB ASP A 22 -3.004 4.955 -6.884 1.00 21.32 C ATOM 64 CG ASP A 22 -3.833 5.861 -5.992 1.00 35.04 C ATOM 65 OD1 ASP A 22 -3.933 5.589 -4.776 1.00 41.33 O ATOM 66 OD2 ASP A 22 -4.435 6.825 -6.520 1.00 21.51 O ATOM 0 H ASP A 22 -2.103 4.533 -4.508 1.00 61.13 H new ATOM 0 HA ASP A 22 -1.066 4.137 -7.191 1.00 30.34 H new ATOM 0 HB2 ASP A 22 -3.076 5.315 -7.910 1.00 21.32 H new ATOM 0 HB3 ASP A 22 -3.439 3.956 -6.866 1.00 21.32 H new ATOM 71 N LEU A 23 0.349 6.093 -7.374 1.00 24.12 N ATOM 72 CA LEU A 23 1.220 7.238 -7.607 1.00 53.51 C ATOM 73 C LEU A 23 0.641 8.146 -8.682 1.00 34.23 C ATOM 74 O LEU A 23 0.472 9.346 -8.477 1.00 50.24 O ATOM 75 CB LEU A 23 2.604 6.741 -8.038 1.00 11.54 C ATOM 76 CG LEU A 23 3.671 7.822 -8.227 1.00 62.55 C ATOM 77 CD1 LEU A 23 3.949 8.541 -6.917 1.00 34.13 C ATOM 78 CD2 LEU A 23 4.948 7.207 -8.777 1.00 12.12 C ATOM 0 H LEU A 23 0.687 5.226 -7.792 1.00 24.12 H new ATOM 0 HA LEU A 23 1.304 7.811 -6.683 1.00 53.51 H new ATOM 0 HB2 LEU A 23 2.962 6.030 -7.293 1.00 11.54 H new ATOM 0 HB3 LEU A 23 2.497 6.195 -8.975 1.00 11.54 H new ATOM 0 HG LEU A 23 3.297 8.554 -8.943 1.00 62.55 H new ATOM 0 HD11 LEU A 23 4.710 9.305 -7.076 1.00 34.13 H new ATOM 0 HD12 LEU A 23 3.033 9.011 -6.558 1.00 34.13 H new ATOM 0 HD13 LEU A 23 4.303 7.824 -6.176 1.00 34.13 H new ATOM 0 HD21 LEU A 23 5.700 7.985 -8.907 1.00 12.12 H new ATOM 0 HD22 LEU A 23 5.320 6.456 -8.080 1.00 12.12 H new ATOM 0 HD23 LEU A 23 4.741 6.738 -9.739 1.00 12.12 H new ATOM 90 N LEU A 24 0.342 7.557 -9.829 1.00 24.52 N ATOM 91 CA LEU A 24 -0.203 8.299 -10.954 1.00 13.31 C ATOM 92 C LEU A 24 -1.724 8.242 -10.920 1.00 54.22 C ATOM 93 O LEU A 24 -2.300 7.691 -9.983 1.00 4.43 O ATOM 94 CB LEU A 24 0.311 7.717 -12.275 1.00 73.44 C ATOM 95 CG LEU A 24 1.828 7.708 -12.446 1.00 34.23 C ATOM 96 CD1 LEU A 24 2.205 6.963 -13.716 1.00 43.12 C ATOM 97 CD2 LEU A 24 2.374 9.128 -12.474 1.00 33.44 C ATOM 0 H LEU A 24 0.469 6.560 -10.005 1.00 24.52 H new ATOM 0 HA LEU A 24 0.120 9.337 -10.880 1.00 13.31 H new ATOM 0 HB2 LEU A 24 -0.053 6.694 -12.366 1.00 73.44 H new ATOM 0 HB3 LEU A 24 -0.126 8.285 -13.096 1.00 73.44 H new ATOM 0 HG LEU A 24 2.272 7.193 -11.594 1.00 34.23 H new ATOM 0 HD11 LEU A 24 3.289 6.962 -13.829 1.00 43.12 H new ATOM 0 HD12 LEU A 24 1.846 5.936 -13.656 1.00 43.12 H new ATOM 0 HD13 LEU A 24 1.751 7.456 -14.576 1.00 43.12 H new ATOM 0 HD21 LEU A 24 3.457 9.099 -12.597 1.00 33.44 H new ATOM 0 HD22 LEU A 24 1.929 9.673 -13.307 1.00 33.44 H new ATOM 0 HD23 LEU A 24 2.128 9.631 -11.539 1.00 33.44 H new ATOM 109 N LYS A 25 -2.360 8.838 -11.920 1.00 15.14 N ATOM 110 CA LYS A 25 -3.810 8.776 -12.073 1.00 63.21 C ATOM 111 C LYS A 25 -4.220 9.301 -13.441 1.00 41.32 C ATOM 112 O LYS A 25 -3.976 10.462 -13.763 1.00 14.03 O ATOM 113 CB LYS A 25 -4.513 9.573 -10.970 1.00 3.44 C ATOM 114 CG LYS A 25 -5.131 8.696 -9.885 1.00 41.12 C ATOM 115 CD LYS A 25 -5.479 9.490 -8.635 1.00 40.25 C ATOM 116 CE LYS A 25 -4.235 10.033 -7.948 1.00 11.11 C ATOM 117 NZ LYS A 25 -3.277 8.951 -7.585 1.00 24.44 N ATOM 0 H LYS A 25 -1.888 9.377 -12.646 1.00 15.14 H new ATOM 0 HA LYS A 25 -4.115 7.733 -11.988 1.00 63.21 H new ATOM 0 HB2 LYS A 25 -3.796 10.254 -10.511 1.00 3.44 H new ATOM 0 HB3 LYS A 25 -5.294 10.187 -11.418 1.00 3.44 H new ATOM 0 HG2 LYS A 25 -6.031 8.220 -10.274 1.00 41.12 H new ATOM 0 HG3 LYS A 25 -4.435 7.898 -9.625 1.00 41.12 H new ATOM 0 HD2 LYS A 25 -6.138 10.317 -8.901 1.00 40.25 H new ATOM 0 HD3 LYS A 25 -6.029 8.854 -7.942 1.00 40.25 H new ATOM 0 HE2 LYS A 25 -3.741 10.748 -8.606 1.00 11.11 H new ATOM 0 HE3 LYS A 25 -4.526 10.576 -7.049 1.00 11.11 H new ATOM 0 HZ1 LYS A 25 -2.540 9.335 -6.960 1.00 24.44 H new ATOM 0 HZ2 LYS A 25 -3.785 8.188 -7.093 1.00 24.44 H new ATOM 0 HZ3 LYS A 25 -2.837 8.573 -8.448 1.00 24.44 H new ATOM 131 N GLY A 26 -4.815 8.435 -14.251 1.00 72.33 N ATOM 132 CA GLY A 26 -5.312 8.858 -15.547 1.00 33.51 C ATOM 133 C GLY A 26 -4.340 8.588 -16.680 1.00 21.01 C ATOM 134 O GLY A 26 -4.548 9.048 -17.804 1.00 51.34 O ATOM 0 H GLY A 26 -4.962 7.449 -14.035 1.00 72.33 H new ATOM 0 HA2 GLY A 26 -6.251 8.345 -15.753 1.00 33.51 H new ATOM 0 HA3 GLY A 26 -5.532 9.925 -15.513 1.00 33.51 H new ATOM 138 N LEU A 27 -3.282 7.844 -16.392 1.00 31.14 N ATOM 139 CA LEU A 27 -2.285 7.516 -17.405 1.00 62.24 C ATOM 140 C LEU A 27 -2.418 6.060 -17.831 1.00 55.52 C ATOM 141 O LEU A 27 -2.818 5.208 -17.035 1.00 51.13 O ATOM 142 CB LEU A 27 -0.860 7.768 -16.889 1.00 74.12 C ATOM 143 CG LEU A 27 -0.454 9.238 -16.713 1.00 73.12 C ATOM 144 CD1 LEU A 27 -1.086 9.835 -15.463 1.00 72.02 C ATOM 145 CD2 LEU A 27 1.062 9.367 -16.659 1.00 23.22 C ATOM 0 H LEU A 27 -3.090 7.456 -15.468 1.00 31.14 H new ATOM 0 HA LEU A 27 -2.464 8.164 -18.263 1.00 62.24 H new ATOM 0 HB2 LEU A 27 -0.749 7.264 -15.929 1.00 74.12 H new ATOM 0 HB3 LEU A 27 -0.158 7.299 -17.578 1.00 74.12 H new ATOM 0 HG LEU A 27 -0.821 9.796 -17.574 1.00 73.12 H new ATOM 0 HD11 LEU A 27 -0.781 10.877 -15.363 1.00 72.02 H new ATOM 0 HD12 LEU A 27 -2.172 9.780 -15.543 1.00 72.02 H new ATOM 0 HD13 LEU A 27 -0.758 9.276 -14.587 1.00 72.02 H new ATOM 0 HD21 LEU A 27 1.334 10.415 -16.534 1.00 23.22 H new ATOM 0 HD22 LEU A 27 1.447 8.790 -15.818 1.00 23.22 H new ATOM 0 HD23 LEU A 27 1.493 8.989 -17.586 1.00 23.22 H new ATOM 157 N ASP A 28 -2.089 5.782 -19.085 1.00 61.15 N ATOM 158 CA ASP A 28 -2.091 4.417 -19.587 1.00 21.31 C ATOM 159 C ASP A 28 -0.665 3.870 -19.570 1.00 14.13 C ATOM 160 O ASP A 28 0.280 4.600 -19.265 1.00 75.30 O ATOM 161 CB ASP A 28 -2.673 4.357 -21.005 1.00 62.21 C ATOM 162 CG ASP A 28 -3.196 2.975 -21.362 1.00 10.22 C ATOM 163 OD1 ASP A 28 -2.392 2.110 -21.766 1.00 32.14 O ATOM 164 OD2 ASP A 28 -4.414 2.746 -21.225 1.00 55.43 O ATOM 0 H ASP A 28 -1.817 6.485 -19.773 1.00 61.15 H new ATOM 0 HA ASP A 28 -2.721 3.803 -18.943 1.00 21.31 H new ATOM 0 HB2 ASP A 28 -3.482 5.082 -21.093 1.00 62.21 H new ATOM 0 HB3 ASP A 28 -1.905 4.648 -21.722 1.00 62.21 H new ATOM 169 N GLN A 29 -0.510 2.606 -19.933 1.00 14.51 N ATOM 170 CA GLN A 29 0.763 1.906 -19.807 1.00 1.23 C ATOM 171 C GLN A 29 1.825 2.503 -20.728 1.00 2.31 C ATOM 172 O GLN A 29 3.003 2.555 -20.374 1.00 25.35 O ATOM 173 CB GLN A 29 0.567 0.420 -20.114 1.00 50.54 C ATOM 174 CG GLN A 29 1.840 -0.404 -20.025 1.00 23.03 C ATOM 175 CD GLN A 29 1.573 -1.893 -20.094 1.00 51.14 C ATOM 176 OE1 GLN A 29 1.385 -2.548 -19.068 1.00 43.23 O ATOM 177 NE2 GLN A 29 1.537 -2.433 -21.299 1.00 71.45 N ATOM 0 H GLN A 29 -1.261 2.036 -20.323 1.00 14.51 H new ATOM 0 HA GLN A 29 1.115 2.022 -18.782 1.00 1.23 H new ATOM 0 HB2 GLN A 29 -0.168 0.010 -19.421 1.00 50.54 H new ATOM 0 HB3 GLN A 29 0.151 0.319 -21.116 1.00 50.54 H new ATOM 0 HG2 GLN A 29 2.510 -0.120 -20.837 1.00 23.03 H new ATOM 0 HG3 GLN A 29 2.354 -0.173 -19.092 1.00 23.03 H new ATOM 0 HE21 GLN A 29 1.698 -1.853 -22.123 1.00 71.45 H new ATOM 0 HE22 GLN A 29 1.348 -3.430 -21.406 1.00 71.45 H new ATOM 186 N GLU A 30 1.398 2.954 -21.903 1.00 1.51 N ATOM 187 CA GLU A 30 2.307 3.562 -22.874 1.00 14.40 C ATOM 188 C GLU A 30 3.049 4.758 -22.280 1.00 35.15 C ATOM 189 O GLU A 30 4.253 4.911 -22.475 1.00 62.23 O ATOM 190 CB GLU A 30 1.532 3.987 -24.122 1.00 51.11 C ATOM 191 CG GLU A 30 0.242 4.732 -23.814 1.00 3.21 C ATOM 192 CD GLU A 30 -0.456 5.222 -25.059 1.00 72.53 C ATOM 193 OE1 GLU A 30 -0.738 4.397 -25.953 1.00 24.14 O ATOM 194 OE2 GLU A 30 -0.732 6.434 -25.150 1.00 62.03 O ATOM 0 H GLU A 30 0.426 2.911 -22.208 1.00 1.51 H new ATOM 0 HA GLU A 30 3.052 2.815 -23.148 1.00 14.40 H new ATOM 0 HB2 GLU A 30 2.170 4.622 -24.737 1.00 51.11 H new ATOM 0 HB3 GLU A 30 1.298 3.102 -24.713 1.00 51.11 H new ATOM 0 HG2 GLU A 30 -0.429 4.076 -23.260 1.00 3.21 H new ATOM 0 HG3 GLU A 30 0.463 5.581 -23.167 1.00 3.21 H new ATOM 201 N GLN A 31 2.327 5.597 -21.547 1.00 51.41 N ATOM 202 CA GLN A 31 2.918 6.781 -20.936 1.00 74.43 C ATOM 203 C GLN A 31 3.518 6.440 -19.577 1.00 53.23 C ATOM 204 O GLN A 31 4.445 7.103 -19.109 1.00 62.50 O ATOM 205 CB GLN A 31 1.871 7.891 -20.798 1.00 54.33 C ATOM 206 CG GLN A 31 1.346 8.411 -22.131 1.00 71.22 C ATOM 207 CD GLN A 31 2.384 9.190 -22.926 1.00 25.34 C ATOM 208 OE1 GLN A 31 3.586 8.935 -22.839 1.00 41.14 O ATOM 209 NE2 GLN A 31 1.922 10.145 -23.716 1.00 64.04 N ATOM 0 H GLN A 31 1.331 5.479 -21.361 1.00 51.41 H new ATOM 0 HA GLN A 31 3.718 7.140 -21.583 1.00 74.43 H new ATOM 0 HB2 GLN A 31 1.033 7.516 -20.210 1.00 54.33 H new ATOM 0 HB3 GLN A 31 2.306 8.721 -20.241 1.00 54.33 H new ATOM 0 HG2 GLN A 31 0.997 7.569 -22.729 1.00 71.22 H new ATOM 0 HG3 GLN A 31 0.483 9.051 -21.949 1.00 71.22 H new ATOM 0 HE21 GLN A 31 0.920 10.328 -23.762 1.00 64.04 H new ATOM 0 HE22 GLN A 31 2.568 10.698 -24.279 1.00 64.04 H new ATOM 218 N ALA A 32 2.999 5.388 -18.954 1.00 5.42 N ATOM 219 CA ALA A 32 3.528 4.914 -17.682 1.00 31.31 C ATOM 220 C ALA A 32 4.928 4.335 -17.865 1.00 43.04 C ATOM 221 O ALA A 32 5.691 4.223 -16.906 1.00 2.40 O ATOM 222 CB ALA A 32 2.599 3.876 -17.065 1.00 60.43 C ATOM 0 H ALA A 32 2.211 4.847 -19.310 1.00 5.42 H new ATOM 0 HA ALA A 32 3.592 5.764 -17.002 1.00 31.31 H new ATOM 0 HB1 ALA A 32 3.013 3.536 -16.116 1.00 60.43 H new ATOM 0 HB2 ALA A 32 1.619 4.321 -16.894 1.00 60.43 H new ATOM 0 HB3 ALA A 32 2.500 3.028 -17.743 1.00 60.43 H new ATOM 228 N ASN A 33 5.253 3.973 -19.105 1.00 73.15 N ATOM 229 CA ASN A 33 6.580 3.470 -19.447 1.00 20.31 C ATOM 230 C ASN A 33 7.644 4.507 -19.105 1.00 14.34 C ATOM 231 O ASN A 33 8.695 4.173 -18.564 1.00 4.13 O ATOM 232 CB ASN A 33 6.644 3.111 -20.937 1.00 23.45 C ATOM 233 CG ASN A 33 7.984 2.529 -21.345 1.00 23.41 C ATOM 234 OD1 ASN A 33 8.901 3.255 -21.727 1.00 73.45 O ATOM 235 ND2 ASN A 33 8.104 1.211 -21.283 1.00 1.04 N ATOM 0 H ASN A 33 4.609 4.020 -19.894 1.00 73.15 H new ATOM 0 HA ASN A 33 6.773 2.570 -18.863 1.00 20.31 H new ATOM 0 HB2 ASN A 33 5.856 2.394 -21.167 1.00 23.45 H new ATOM 0 HB3 ASN A 33 6.445 4.004 -21.530 1.00 23.45 H new ATOM 0 HD21 ASN A 33 8.979 0.765 -21.557 1.00 1.04 H new ATOM 0 HD22 ASN A 33 7.321 0.642 -20.961 1.00 1.04 H new ATOM 242 N GLU A 34 7.345 5.767 -19.398 1.00 65.41 N ATOM 243 CA GLU A 34 8.237 6.875 -19.067 1.00 71.11 C ATOM 244 C GLU A 34 8.461 6.955 -17.562 1.00 42.13 C ATOM 245 O GLU A 34 9.567 7.229 -17.094 1.00 23.24 O ATOM 246 CB GLU A 34 7.633 8.191 -19.552 1.00 52.43 C ATOM 247 CG GLU A 34 7.561 8.311 -21.061 1.00 72.15 C ATOM 248 CD GLU A 34 8.931 8.419 -21.690 1.00 20.25 C ATOM 249 OE1 GLU A 34 9.615 9.437 -21.455 1.00 40.02 O ATOM 250 OE2 GLU A 34 9.329 7.496 -22.425 1.00 61.25 O ATOM 0 H GLU A 34 6.485 6.050 -19.868 1.00 65.41 H new ATOM 0 HA GLU A 34 9.193 6.702 -19.561 1.00 71.11 H new ATOM 0 HB2 GLU A 34 6.629 8.293 -19.140 1.00 52.43 H new ATOM 0 HB3 GLU A 34 8.224 9.018 -19.159 1.00 52.43 H new ATOM 0 HG2 GLU A 34 7.043 7.443 -21.469 1.00 72.15 H new ATOM 0 HG3 GLU A 34 6.971 9.188 -21.327 1.00 72.15 H new ATOM 257 N VAL A 35 7.393 6.703 -16.822 1.00 22.32 N ATOM 258 CA VAL A 35 7.406 6.794 -15.374 1.00 3.13 C ATOM 259 C VAL A 35 8.188 5.640 -14.752 1.00 72.04 C ATOM 260 O VAL A 35 9.083 5.854 -13.939 1.00 71.14 O ATOM 261 CB VAL A 35 5.964 6.812 -14.821 1.00 11.22 C ATOM 262 CG1 VAL A 35 5.952 6.773 -13.299 1.00 2.45 C ATOM 263 CG2 VAL A 35 5.223 8.041 -15.331 1.00 1.53 C ATOM 0 H VAL A 35 6.491 6.429 -17.212 1.00 22.32 H new ATOM 0 HA VAL A 35 7.903 7.726 -15.105 1.00 3.13 H new ATOM 0 HB VAL A 35 5.453 5.917 -15.178 1.00 11.22 H new ATOM 0 HG11 VAL A 35 4.922 6.787 -12.943 1.00 2.45 H new ATOM 0 HG12 VAL A 35 6.443 5.863 -12.954 1.00 2.45 H new ATOM 0 HG13 VAL A 35 6.483 7.641 -12.909 1.00 2.45 H new ATOM 0 HG21 VAL A 35 4.207 8.044 -14.935 1.00 1.53 H new ATOM 0 HG22 VAL A 35 5.743 8.941 -15.003 1.00 1.53 H new ATOM 0 HG23 VAL A 35 5.188 8.019 -16.420 1.00 1.53 H new ATOM 273 N ILE A 36 7.866 4.417 -15.148 1.00 32.50 N ATOM 274 CA ILE A 36 8.525 3.253 -14.574 1.00 74.35 C ATOM 275 C ILE A 36 9.980 3.158 -15.040 1.00 12.14 C ATOM 276 O ILE A 36 10.810 2.523 -14.386 1.00 3.21 O ATOM 277 CB ILE A 36 7.766 1.944 -14.899 1.00 75.14 C ATOM 278 CG1 ILE A 36 8.341 0.782 -14.080 1.00 61.22 C ATOM 279 CG2 ILE A 36 7.823 1.635 -16.389 1.00 41.33 C ATOM 280 CD1 ILE A 36 7.499 -0.474 -14.121 1.00 22.54 C ATOM 0 H ILE A 36 7.162 4.206 -15.855 1.00 32.50 H new ATOM 0 HA ILE A 36 8.516 3.382 -13.492 1.00 74.35 H new ATOM 0 HB ILE A 36 6.719 2.077 -14.627 1.00 75.14 H new ATOM 0 HG12 ILE A 36 9.340 0.550 -14.449 1.00 61.22 H new ATOM 0 HG13 ILE A 36 8.450 1.100 -13.043 1.00 61.22 H new ATOM 0 HG21 ILE A 36 7.282 0.710 -16.590 1.00 41.33 H new ATOM 0 HG22 ILE A 36 7.366 2.452 -16.948 1.00 41.33 H new ATOM 0 HG23 ILE A 36 8.862 1.522 -16.698 1.00 41.33 H new ATOM 0 HD11 ILE A 36 7.972 -1.249 -13.518 1.00 22.54 H new ATOM 0 HD12 ILE A 36 6.507 -0.260 -13.723 1.00 22.54 H new ATOM 0 HD13 ILE A 36 7.410 -0.819 -15.151 1.00 22.54 H new ATOM 292 N ALA A 37 10.290 3.818 -16.154 1.00 41.53 N ATOM 293 CA ALA A 37 11.653 3.843 -16.671 1.00 44.41 C ATOM 294 C ALA A 37 12.608 4.450 -15.652 1.00 22.41 C ATOM 295 O ALA A 37 13.667 3.885 -15.370 1.00 74.54 O ATOM 296 CB ALA A 37 11.719 4.620 -17.976 1.00 42.21 C ATOM 0 H ALA A 37 9.616 4.341 -16.714 1.00 41.53 H new ATOM 0 HA ALA A 37 11.958 2.814 -16.862 1.00 44.41 H new ATOM 0 HB1 ALA A 37 12.745 4.626 -18.344 1.00 42.21 H new ATOM 0 HB2 ALA A 37 11.071 4.147 -18.714 1.00 42.21 H new ATOM 0 HB3 ALA A 37 11.388 5.645 -17.806 1.00 42.21 H new ATOM 302 N VAL A 38 12.220 5.588 -15.082 1.00 44.10 N ATOM 303 CA VAL A 38 13.073 6.285 -14.131 1.00 5.34 C ATOM 304 C VAL A 38 13.163 5.503 -12.820 1.00 43.20 C ATOM 305 O VAL A 38 14.189 5.529 -12.137 1.00 43.24 O ATOM 306 CB VAL A 38 12.587 7.737 -13.872 1.00 64.31 C ATOM 307 CG1 VAL A 38 11.293 7.768 -13.076 1.00 3.10 C ATOM 308 CG2 VAL A 38 13.668 8.552 -13.180 1.00 23.11 C ATOM 0 H VAL A 38 11.325 6.043 -15.262 1.00 44.10 H new ATOM 0 HA VAL A 38 14.068 6.351 -14.570 1.00 5.34 H new ATOM 0 HB VAL A 38 12.381 8.189 -14.842 1.00 64.31 H new ATOM 0 HG11 VAL A 38 10.988 8.802 -12.917 1.00 3.10 H new ATOM 0 HG12 VAL A 38 10.514 7.241 -13.627 1.00 3.10 H new ATOM 0 HG13 VAL A 38 11.447 7.283 -12.112 1.00 3.10 H new ATOM 0 HG21 VAL A 38 13.306 9.566 -13.009 1.00 23.11 H new ATOM 0 HG22 VAL A 38 13.917 8.089 -12.225 1.00 23.11 H new ATOM 0 HG23 VAL A 38 14.557 8.586 -13.810 1.00 23.11 H new ATOM 318 N LEU A 39 12.100 4.776 -12.493 1.00 74.13 N ATOM 319 CA LEU A 39 12.086 3.939 -11.300 1.00 15.03 C ATOM 320 C LEU A 39 13.013 2.741 -11.469 1.00 42.15 C ATOM 321 O LEU A 39 13.864 2.474 -10.616 1.00 22.44 O ATOM 322 CB LEU A 39 10.664 3.456 -10.982 1.00 23.41 C ATOM 323 CG LEU A 39 9.837 4.379 -10.079 1.00 5.11 C ATOM 324 CD1 LEU A 39 9.573 5.718 -10.745 1.00 30.41 C ATOM 325 CD2 LEU A 39 8.529 3.714 -9.693 1.00 63.30 C ATOM 0 H LEU A 39 11.238 4.750 -13.037 1.00 74.13 H new ATOM 0 HA LEU A 39 12.442 4.546 -10.467 1.00 15.03 H new ATOM 0 HB2 LEU A 39 10.127 3.320 -11.921 1.00 23.41 H new ATOM 0 HB3 LEU A 39 10.730 2.477 -10.508 1.00 23.41 H new ATOM 0 HG LEU A 39 10.418 4.564 -9.175 1.00 5.11 H new ATOM 0 HD11 LEU A 39 8.984 6.347 -10.077 1.00 30.41 H new ATOM 0 HD12 LEU A 39 10.521 6.209 -10.964 1.00 30.41 H new ATOM 0 HD13 LEU A 39 9.023 5.561 -11.673 1.00 30.41 H new ATOM 0 HD21 LEU A 39 7.956 4.384 -9.052 1.00 63.30 H new ATOM 0 HD22 LEU A 39 7.954 3.492 -10.592 1.00 63.30 H new ATOM 0 HD23 LEU A 39 8.736 2.788 -9.157 1.00 63.30 H new ATOM 337 N GLN A 40 12.855 2.034 -12.581 1.00 24.03 N ATOM 338 CA GLN A 40 13.650 0.844 -12.856 1.00 21.42 C ATOM 339 C GLN A 40 15.127 1.202 -13.011 1.00 73.14 C ATOM 340 O GLN A 40 16.005 0.448 -12.588 1.00 75.25 O ATOM 341 CB GLN A 40 13.139 0.148 -14.119 1.00 53.50 C ATOM 342 CG GLN A 40 13.817 -1.182 -14.405 1.00 62.41 C ATOM 343 CD GLN A 40 13.264 -1.860 -15.641 1.00 3.42 C ATOM 344 OE1 GLN A 40 12.311 -2.638 -15.567 1.00 54.31 O ATOM 345 NE2 GLN A 40 13.853 -1.568 -16.788 1.00 51.04 N ATOM 0 H GLN A 40 12.180 2.266 -13.310 1.00 24.03 H new ATOM 0 HA GLN A 40 13.550 0.162 -12.011 1.00 21.42 H new ATOM 0 HB2 GLN A 40 12.066 -0.015 -14.023 1.00 53.50 H new ATOM 0 HB3 GLN A 40 13.286 0.811 -14.972 1.00 53.50 H new ATOM 0 HG2 GLN A 40 14.888 -1.021 -14.531 1.00 62.41 H new ATOM 0 HG3 GLN A 40 13.693 -1.842 -13.546 1.00 62.41 H new ATOM 0 HE21 GLN A 40 14.639 -0.919 -16.807 1.00 51.04 H new ATOM 0 HE22 GLN A 40 13.521 -1.992 -17.654 1.00 51.04 H new ATOM 354 N MET A 41 15.389 2.363 -13.603 1.00 62.51 N ATOM 355 CA MET A 41 16.754 2.840 -13.803 1.00 44.21 C ATOM 356 C MET A 41 17.484 2.996 -12.471 1.00 22.23 C ATOM 357 O MET A 41 18.659 2.653 -12.355 1.00 24.03 O ATOM 358 CB MET A 41 16.741 4.174 -14.556 1.00 23.05 C ATOM 359 CG MET A 41 18.126 4.748 -14.817 1.00 43.50 C ATOM 360 SD MET A 41 18.074 6.311 -15.713 1.00 12.23 S ATOM 361 CE MET A 41 17.318 5.791 -17.252 1.00 61.44 C ATOM 0 H MET A 41 14.669 2.995 -13.955 1.00 62.51 H new ATOM 0 HA MET A 41 17.288 2.099 -14.397 1.00 44.21 H new ATOM 0 HB2 MET A 41 16.230 4.037 -15.509 1.00 23.05 H new ATOM 0 HB3 MET A 41 16.160 4.898 -13.984 1.00 23.05 H new ATOM 0 HG2 MET A 41 18.639 4.896 -13.866 1.00 43.50 H new ATOM 0 HG3 MET A 41 18.712 4.027 -15.386 1.00 43.50 H new ATOM 0 HE1 MET A 41 17.791 6.313 -18.084 1.00 61.44 H new ATOM 0 HE2 MET A 41 17.449 4.716 -17.377 1.00 61.44 H new ATOM 0 HE3 MET A 41 16.254 6.027 -17.233 1.00 61.44 H new ATOM 371 N HIS A 42 16.776 3.497 -11.461 1.00 53.21 N ATOM 372 CA HIS A 42 17.376 3.715 -10.146 1.00 1.12 C ATOM 373 C HIS A 42 17.344 2.440 -9.309 1.00 74.43 C ATOM 374 O HIS A 42 17.847 2.418 -8.187 1.00 40.52 O ATOM 375 CB HIS A 42 16.672 4.855 -9.402 1.00 40.01 C ATOM 376 CG HIS A 42 17.047 6.222 -9.900 1.00 72.53 C ATOM 377 ND1 HIS A 42 17.884 7.076 -9.214 1.00 10.04 N ATOM 378 CD2 HIS A 42 16.692 6.881 -11.029 1.00 34.12 C ATOM 379 CE1 HIS A 42 18.026 8.194 -9.899 1.00 71.02 C ATOM 380 NE2 HIS A 42 17.314 8.104 -11.006 1.00 15.10 N ATOM 0 H HIS A 42 15.792 3.758 -11.527 1.00 53.21 H new ATOM 0 HA HIS A 42 18.417 3.997 -10.303 1.00 1.12 H new ATOM 0 HB2 HIS A 42 15.594 4.727 -9.495 1.00 40.01 H new ATOM 0 HB3 HIS A 42 16.910 4.786 -8.341 1.00 40.01 H new ATOM 0 HD2 HIS A 42 16.039 6.511 -11.806 1.00 34.12 H new ATOM 0 HE1 HIS A 42 18.625 9.042 -9.603 1.00 71.02 H new ATOM 0 HE2 HIS A 42 17.238 8.824 -11.725 1.00 15.10 H new ATOM 389 N ASN A 43 16.754 1.386 -9.872 1.00 43.41 N ATOM 390 CA ASN A 43 16.701 0.070 -9.231 1.00 65.43 C ATOM 391 C ASN A 43 15.935 0.135 -7.908 1.00 51.33 C ATOM 392 O ASN A 43 16.446 -0.238 -6.851 1.00 24.24 O ATOM 393 CB ASN A 43 18.121 -0.475 -9.013 1.00 4.43 C ATOM 394 CG ASN A 43 18.141 -1.901 -8.492 1.00 72.01 C ATOM 395 OD1 ASN A 43 17.276 -2.714 -8.822 1.00 41.50 O ATOM 396 ND2 ASN A 43 19.127 -2.209 -7.665 1.00 31.25 N ATOM 0 H ASN A 43 16.299 1.419 -10.784 1.00 43.41 H new ATOM 0 HA ASN A 43 16.166 -0.612 -9.893 1.00 65.43 H new ATOM 0 HB2 ASN A 43 18.668 -0.431 -9.955 1.00 4.43 H new ATOM 0 HB3 ASN A 43 18.646 0.170 -8.309 1.00 4.43 H new ATOM 0 HD21 ASN A 43 19.191 -3.149 -7.275 1.00 31.25 H new ATOM 0 HD22 ASN A 43 19.823 -1.506 -7.417 1.00 31.25 H new ATOM 403 N ILE A 44 14.709 0.630 -7.973 1.00 72.22 N ATOM 404 CA ILE A 44 13.847 0.683 -6.801 1.00 11.12 C ATOM 405 C ILE A 44 12.802 -0.424 -6.884 1.00 53.41 C ATOM 406 O ILE A 44 12.422 -0.841 -7.980 1.00 32.35 O ATOM 407 CB ILE A 44 13.153 2.064 -6.663 1.00 30.05 C ATOM 408 CG1 ILE A 44 12.397 2.167 -5.330 1.00 41.21 C ATOM 409 CG2 ILE A 44 12.208 2.308 -7.832 1.00 21.15 C ATOM 410 CD1 ILE A 44 11.767 3.524 -5.088 1.00 14.44 C ATOM 0 H ILE A 44 14.288 1.001 -8.825 1.00 72.22 H new ATOM 0 HA ILE A 44 14.467 0.537 -5.917 1.00 11.12 H new ATOM 0 HB ILE A 44 13.925 2.833 -6.676 1.00 30.05 H new ATOM 0 HG12 ILE A 44 11.618 1.405 -5.305 1.00 41.21 H new ATOM 0 HG13 ILE A 44 13.085 1.946 -4.514 1.00 41.21 H new ATOM 0 HG21 ILE A 44 11.731 3.281 -7.717 1.00 21.15 H new ATOM 0 HG22 ILE A 44 12.771 2.288 -8.765 1.00 21.15 H new ATOM 0 HG23 ILE A 44 11.445 1.530 -7.851 1.00 21.15 H new ATOM 0 HD11 ILE A 44 11.251 3.520 -4.128 1.00 14.44 H new ATOM 0 HD12 ILE A 44 12.543 4.289 -5.080 1.00 14.44 H new ATOM 0 HD13 ILE A 44 11.053 3.740 -5.882 1.00 14.44 H new ATOM 422 N GLU A 45 12.372 -0.923 -5.733 1.00 32.15 N ATOM 423 CA GLU A 45 11.342 -1.950 -5.680 1.00 71.41 C ATOM 424 C GLU A 45 10.017 -1.372 -6.162 1.00 44.21 C ATOM 425 O GLU A 45 9.348 -0.638 -5.437 1.00 34.14 O ATOM 426 CB GLU A 45 11.218 -2.501 -4.252 1.00 50.54 C ATOM 427 CG GLU A 45 10.381 -3.772 -4.126 1.00 61.33 C ATOM 428 CD GLU A 45 8.889 -3.512 -4.035 1.00 64.44 C ATOM 429 OE1 GLU A 45 8.412 -3.153 -2.937 1.00 13.13 O ATOM 430 OE2 GLU A 45 8.186 -3.683 -5.047 1.00 2.40 O ATOM 0 H GLU A 45 12.722 -0.631 -4.821 1.00 32.15 H new ATOM 0 HA GLU A 45 11.618 -2.775 -6.336 1.00 71.41 H new ATOM 0 HB2 GLU A 45 12.218 -2.702 -3.867 1.00 50.54 H new ATOM 0 HB3 GLU A 45 10.781 -1.730 -3.617 1.00 50.54 H new ATOM 0 HG2 GLU A 45 10.578 -4.413 -4.986 1.00 61.33 H new ATOM 0 HG3 GLU A 45 10.700 -4.321 -3.240 1.00 61.33 H new ATOM 437 N ALA A 46 9.670 -1.681 -7.403 1.00 12.33 N ATOM 438 CA ALA A 46 8.452 -1.172 -8.005 1.00 55.14 C ATOM 439 C ALA A 46 7.489 -2.307 -8.318 1.00 51.02 C ATOM 440 O ALA A 46 7.903 -3.391 -8.736 1.00 42.34 O ATOM 441 CB ALA A 46 8.772 -0.383 -9.266 1.00 54.11 C ATOM 0 H ALA A 46 10.220 -2.285 -8.013 1.00 12.33 H new ATOM 0 HA ALA A 46 7.971 -0.504 -7.290 1.00 55.14 H new ATOM 0 HB1 ALA A 46 7.847 -0.008 -9.705 1.00 54.11 H new ATOM 0 HB2 ALA A 46 9.421 0.456 -9.015 1.00 54.11 H new ATOM 0 HB3 ALA A 46 9.277 -1.031 -9.982 1.00 54.11 H new ATOM 447 N ASN A 47 6.210 -2.050 -8.113 1.00 40.44 N ATOM 448 CA ASN A 47 5.171 -3.035 -8.360 1.00 62.12 C ATOM 449 C ASN A 47 4.109 -2.439 -9.288 1.00 21.13 C ATOM 450 O ASN A 47 3.950 -1.217 -9.350 1.00 42.32 O ATOM 451 CB ASN A 47 4.552 -3.464 -7.026 1.00 10.03 C ATOM 452 CG ASN A 47 3.716 -4.723 -7.133 1.00 22.42 C ATOM 453 OD1 ASN A 47 2.513 -4.668 -7.388 1.00 22.13 O ATOM 454 ND2 ASN A 47 4.345 -5.867 -6.922 1.00 64.05 N ATOM 0 H ASN A 47 5.862 -1.154 -7.771 1.00 40.44 H new ATOM 0 HA ASN A 47 5.598 -3.913 -8.845 1.00 62.12 H new ATOM 0 HB2 ASN A 47 5.348 -3.625 -6.299 1.00 10.03 H new ATOM 0 HB3 ASN A 47 3.930 -2.654 -6.644 1.00 10.03 H new ATOM 0 HD21 ASN A 47 3.832 -6.747 -6.968 1.00 64.05 H new ATOM 0 HD22 ASN A 47 5.343 -5.869 -6.713 1.00 64.05 H new ATOM 461 N LYS A 48 3.396 -3.289 -10.014 1.00 11.04 N ATOM 462 CA LYS A 48 2.425 -2.825 -10.999 1.00 1.03 C ATOM 463 C LYS A 48 1.009 -2.827 -10.423 1.00 60.41 C ATOM 464 O LYS A 48 0.517 -3.861 -9.966 1.00 13.00 O ATOM 465 CB LYS A 48 2.487 -3.713 -12.246 1.00 2.54 C ATOM 466 CG LYS A 48 1.671 -3.192 -13.416 1.00 45.32 C ATOM 467 CD LYS A 48 1.800 -4.101 -14.628 1.00 40.43 C ATOM 468 CE LYS A 48 1.088 -3.516 -15.836 1.00 20.24 C ATOM 469 NZ LYS A 48 1.251 -4.364 -17.047 1.00 51.33 N ATOM 0 H LYS A 48 3.471 -4.304 -9.941 1.00 11.04 H new ATOM 0 HA LYS A 48 2.676 -1.800 -11.271 1.00 1.03 H new ATOM 0 HB2 LYS A 48 3.527 -3.813 -12.557 1.00 2.54 H new ATOM 0 HB3 LYS A 48 2.135 -4.711 -11.987 1.00 2.54 H new ATOM 0 HG2 LYS A 48 0.623 -3.116 -13.126 1.00 45.32 H new ATOM 0 HG3 LYS A 48 2.004 -2.187 -13.675 1.00 45.32 H new ATOM 0 HD2 LYS A 48 2.854 -4.251 -14.862 1.00 40.43 H new ATOM 0 HD3 LYS A 48 1.382 -5.081 -14.396 1.00 40.43 H new ATOM 0 HE2 LYS A 48 0.027 -3.405 -15.612 1.00 20.24 H new ATOM 0 HE3 LYS A 48 1.478 -2.518 -16.038 1.00 20.24 H new ATOM 0 HZ1 LYS A 48 1.143 -3.777 -17.899 1.00 51.33 H new ATOM 0 HZ2 LYS A 48 2.196 -4.797 -17.043 1.00 51.33 H new ATOM 0 HZ3 LYS A 48 0.528 -5.111 -17.047 1.00 51.33 H new ATOM 483 N ILE A 49 0.359 -1.668 -10.450 1.00 32.14 N ATOM 484 CA ILE A 49 -1.006 -1.543 -9.954 1.00 32.22 C ATOM 485 C ILE A 49 -1.973 -1.157 -11.070 1.00 4.14 C ATOM 486 O ILE A 49 -1.878 -0.074 -11.653 1.00 4.00 O ATOM 487 CB ILE A 49 -1.117 -0.507 -8.812 1.00 1.12 C ATOM 488 CG1 ILE A 49 -0.336 0.763 -9.156 1.00 72.03 C ATOM 489 CG2 ILE A 49 -0.629 -1.100 -7.501 1.00 24.35 C ATOM 490 CD1 ILE A 49 -0.467 1.859 -8.122 1.00 61.53 C ATOM 0 H ILE A 49 0.757 -0.801 -10.811 1.00 32.14 H new ATOM 0 HA ILE A 49 -1.277 -2.524 -9.564 1.00 32.22 H new ATOM 0 HB ILE A 49 -2.167 -0.239 -8.695 1.00 1.12 H new ATOM 0 HG12 ILE A 49 0.718 0.510 -9.272 1.00 72.03 H new ATOM 0 HG13 ILE A 49 -0.681 1.141 -10.118 1.00 72.03 H new ATOM 0 HG21 ILE A 49 -0.715 -0.355 -6.710 1.00 24.35 H new ATOM 0 HG22 ILE A 49 -1.235 -1.970 -7.247 1.00 24.35 H new ATOM 0 HG23 ILE A 49 0.414 -1.401 -7.604 1.00 24.35 H new ATOM 0 HD11 ILE A 49 0.114 2.726 -8.436 1.00 61.53 H new ATOM 0 HD12 ILE A 49 -1.515 2.141 -8.022 1.00 61.53 H new ATOM 0 HD13 ILE A 49 -0.094 1.500 -7.162 1.00 61.53 H new ATOM 502 N ASP A 50 -2.878 -2.067 -11.386 1.00 22.34 N ATOM 503 CA ASP A 50 -3.935 -1.803 -12.354 1.00 22.43 C ATOM 504 C ASP A 50 -5.281 -1.711 -11.639 1.00 54.34 C ATOM 505 O ASP A 50 -5.593 -2.546 -10.785 1.00 55.14 O ATOM 506 CB ASP A 50 -3.977 -2.897 -13.425 1.00 73.22 C ATOM 507 CG ASP A 50 -5.078 -2.666 -14.444 1.00 41.31 C ATOM 508 OD1 ASP A 50 -6.226 -3.090 -14.192 1.00 54.45 O ATOM 509 OD2 ASP A 50 -4.809 -2.057 -15.497 1.00 61.31 O ATOM 0 H ASP A 50 -2.904 -3.004 -10.984 1.00 22.34 H new ATOM 0 HA ASP A 50 -3.726 -0.853 -12.847 1.00 22.43 H new ATOM 0 HB2 ASP A 50 -3.015 -2.939 -13.936 1.00 73.22 H new ATOM 0 HB3 ASP A 50 -4.126 -3.865 -12.946 1.00 73.22 H new ATOM 514 N SER A 51 -6.065 -0.689 -11.966 1.00 2.45 N ATOM 515 CA SER A 51 -7.381 -0.493 -11.354 1.00 13.43 C ATOM 516 C SER A 51 -8.258 0.378 -12.250 1.00 33.12 C ATOM 517 O SER A 51 -7.745 1.193 -13.014 1.00 65.53 O ATOM 518 CB SER A 51 -7.242 0.165 -9.976 1.00 43.11 C ATOM 519 OG SER A 51 -6.409 -0.599 -9.121 1.00 4.12 O ATOM 0 H SER A 51 -5.813 0.021 -12.654 1.00 2.45 H new ATOM 0 HA SER A 51 -7.849 -1.470 -11.234 1.00 13.43 H new ATOM 0 HB2 SER A 51 -6.828 1.167 -10.089 1.00 43.11 H new ATOM 0 HB3 SER A 51 -8.227 0.276 -9.523 1.00 43.11 H new ATOM 0 HG SER A 51 -6.351 -1.518 -9.457 1.00 4.12 H new ATOM 525 N GLY A 52 -9.573 0.213 -12.144 1.00 14.23 N ATOM 526 CA GLY A 52 -10.496 0.987 -12.959 1.00 53.42 C ATOM 527 C GLY A 52 -10.395 2.480 -12.709 1.00 61.34 C ATOM 528 O GLY A 52 -10.386 3.270 -13.651 1.00 43.44 O ATOM 0 H GLY A 52 -10.019 -0.446 -11.505 1.00 14.23 H new ATOM 0 HA2 GLY A 52 -10.299 0.786 -14.012 1.00 53.42 H new ATOM 0 HA3 GLY A 52 -11.515 0.658 -12.757 1.00 53.42 H new ATOM 532 N LYS A 53 -10.314 2.866 -11.440 1.00 61.05 N ATOM 533 CA LYS A 53 -10.165 4.273 -11.068 1.00 2.34 C ATOM 534 C LYS A 53 -8.826 4.818 -11.547 1.00 73.24 C ATOM 535 O LYS A 53 -8.671 6.013 -11.773 1.00 31.31 O ATOM 536 CB LYS A 53 -10.229 4.437 -9.542 1.00 44.53 C ATOM 537 CG LYS A 53 -10.183 5.889 -9.077 1.00 3.24 C ATOM 538 CD LYS A 53 -9.438 6.054 -7.752 1.00 20.34 C ATOM 539 CE LYS A 53 -7.921 6.018 -7.942 1.00 21.43 C ATOM 540 NZ LYS A 53 -7.180 6.320 -6.680 1.00 24.21 N ATOM 0 H LYS A 53 -10.349 2.224 -10.648 1.00 61.05 H new ATOM 0 HA LYS A 53 -10.980 4.824 -11.538 1.00 2.34 H new ATOM 0 HB2 LYS A 53 -11.146 3.976 -9.174 1.00 44.53 H new ATOM 0 HB3 LYS A 53 -9.397 3.895 -9.092 1.00 44.53 H new ATOM 0 HG2 LYS A 53 -9.699 6.497 -9.841 1.00 3.24 H new ATOM 0 HG3 LYS A 53 -11.200 6.265 -8.968 1.00 3.24 H new ATOM 0 HD2 LYS A 53 -9.724 6.999 -7.290 1.00 20.34 H new ATOM 0 HD3 LYS A 53 -9.737 5.261 -7.066 1.00 20.34 H new ATOM 0 HE2 LYS A 53 -7.627 5.034 -8.306 1.00 21.43 H new ATOM 0 HE3 LYS A 53 -7.637 6.739 -8.708 1.00 21.43 H new ATOM 0 HZ1 LYS A 53 -6.173 6.467 -6.895 1.00 24.21 H new ATOM 0 HZ2 LYS A 53 -7.571 7.180 -6.245 1.00 24.21 H new ATOM 0 HZ3 LYS A 53 -7.280 5.523 -6.020 1.00 24.21 H new ATOM 554 N LEU A 54 -7.869 3.926 -11.712 1.00 71.35 N ATOM 555 CA LEU A 54 -6.478 4.319 -11.849 1.00 53.41 C ATOM 556 C LEU A 54 -5.993 4.277 -13.296 1.00 13.24 C ATOM 557 O LEU A 54 -5.390 5.234 -13.785 1.00 11.24 O ATOM 558 CB LEU A 54 -5.621 3.394 -10.988 1.00 63.52 C ATOM 559 CG LEU A 54 -4.156 3.789 -10.861 1.00 21.23 C ATOM 560 CD1 LEU A 54 -4.042 5.149 -10.200 1.00 64.04 C ATOM 561 CD2 LEU A 54 -3.394 2.740 -10.068 1.00 64.24 C ATOM 0 H LEU A 54 -8.029 2.920 -11.755 1.00 71.35 H new ATOM 0 HA LEU A 54 -6.388 5.353 -11.518 1.00 53.41 H new ATOM 0 HB2 LEU A 54 -6.055 3.350 -9.989 1.00 63.52 H new ATOM 0 HB3 LEU A 54 -5.673 2.388 -11.403 1.00 63.52 H new ATOM 0 HG LEU A 54 -3.717 3.849 -11.857 1.00 21.23 H new ATOM 0 HD11 LEU A 54 -2.991 5.424 -10.113 1.00 64.04 H new ATOM 0 HD12 LEU A 54 -4.563 5.892 -10.804 1.00 64.04 H new ATOM 0 HD13 LEU A 54 -4.490 5.110 -9.207 1.00 64.04 H new ATOM 0 HD21 LEU A 54 -2.348 3.035 -9.985 1.00 64.24 H new ATOM 0 HD22 LEU A 54 -3.826 2.652 -9.071 1.00 64.24 H new ATOM 0 HD23 LEU A 54 -3.460 1.779 -10.578 1.00 64.24 H new ATOM 573 N GLY A 55 -6.257 3.172 -13.970 1.00 63.54 N ATOM 574 CA GLY A 55 -5.668 2.942 -15.268 1.00 22.23 C ATOM 575 C GLY A 55 -4.358 2.205 -15.123 1.00 43.34 C ATOM 576 O GLY A 55 -4.346 1.031 -14.756 1.00 3.54 O ATOM 0 H GLY A 55 -6.871 2.428 -13.640 1.00 63.54 H new ATOM 0 HA2 GLY A 55 -6.352 2.364 -15.889 1.00 22.23 H new ATOM 0 HA3 GLY A 55 -5.504 3.893 -15.775 1.00 22.23 H new ATOM 580 N TYR A 56 -3.258 2.896 -15.374 1.00 53.12 N ATOM 581 CA TYR A 56 -1.936 2.326 -15.175 1.00 10.34 C ATOM 582 C TYR A 56 -1.079 3.248 -14.328 1.00 40.01 C ATOM 583 O TYR A 56 -0.950 4.436 -14.622 1.00 32.13 O ATOM 584 CB TYR A 56 -1.246 2.063 -16.510 1.00 13.51 C ATOM 585 CG TYR A 56 -1.688 0.784 -17.176 1.00 43.43 C ATOM 586 CD1 TYR A 56 -1.151 -0.434 -16.786 1.00 34.34 C ATOM 587 CD2 TYR A 56 -2.643 0.788 -18.184 1.00 14.12 C ATOM 588 CE1 TYR A 56 -1.544 -1.611 -17.385 1.00 1.11 C ATOM 589 CE2 TYR A 56 -3.042 -0.387 -18.789 1.00 42.54 C ATOM 590 CZ TYR A 56 -2.490 -1.583 -18.383 1.00 24.10 C ATOM 591 OH TYR A 56 -2.885 -2.760 -18.980 1.00 3.23 O ATOM 0 H TYR A 56 -3.255 3.856 -15.717 1.00 53.12 H new ATOM 0 HA TYR A 56 -2.059 1.376 -14.654 1.00 10.34 H new ATOM 0 HB2 TYR A 56 -1.442 2.899 -17.182 1.00 13.51 H new ATOM 0 HB3 TYR A 56 -0.168 2.027 -16.352 1.00 13.51 H new ATOM 0 HD1 TYR A 56 -0.412 -0.460 -15.999 1.00 34.34 H new ATOM 0 HD2 TYR A 56 -3.080 1.724 -18.499 1.00 14.12 H new ATOM 0 HE1 TYR A 56 -1.112 -2.550 -17.073 1.00 1.11 H new ATOM 0 HE2 TYR A 56 -3.782 -0.369 -19.575 1.00 42.54 H new ATOM 0 HH TYR A 56 -3.560 -2.569 -19.664 1.00 3.23 H new ATOM 601 N SER A 57 -0.523 2.708 -13.259 1.00 53.23 N ATOM 602 CA SER A 57 0.375 3.461 -12.404 1.00 41.02 C ATOM 603 C SER A 57 1.402 2.540 -11.762 1.00 13.11 C ATOM 604 O SER A 57 1.297 1.314 -11.853 1.00 64.21 O ATOM 605 CB SER A 57 -0.418 4.201 -11.331 1.00 71.30 C ATOM 606 OG SER A 57 -1.334 5.106 -11.919 1.00 40.13 O ATOM 0 H SER A 57 -0.679 1.745 -12.961 1.00 53.23 H new ATOM 0 HA SER A 57 0.905 4.191 -13.016 1.00 41.02 H new ATOM 0 HB2 SER A 57 -0.955 3.484 -10.710 1.00 71.30 H new ATOM 0 HB3 SER A 57 0.265 4.742 -10.675 1.00 71.30 H new ATOM 0 HG SER A 57 -1.241 5.078 -12.894 1.00 40.13 H new ATOM 612 N ILE A 58 2.394 3.135 -11.120 1.00 13.40 N ATOM 613 CA ILE A 58 3.449 2.374 -10.481 1.00 22.31 C ATOM 614 C ILE A 58 3.346 2.534 -8.973 1.00 34.24 C ATOM 615 O ILE A 58 3.014 3.615 -8.489 1.00 75.52 O ATOM 616 CB ILE A 58 4.844 2.853 -10.941 1.00 21.32 C ATOM 617 CG1 ILE A 58 4.828 3.220 -12.432 1.00 62.10 C ATOM 618 CG2 ILE A 58 5.882 1.772 -10.675 1.00 33.41 C ATOM 619 CD1 ILE A 58 4.593 2.042 -13.356 1.00 71.11 C ATOM 0 H ILE A 58 2.489 4.146 -11.029 1.00 13.40 H new ATOM 0 HA ILE A 58 3.330 1.328 -10.763 1.00 22.31 H new ATOM 0 HB ILE A 58 5.108 3.745 -10.372 1.00 21.32 H new ATOM 0 HG12 ILE A 58 4.050 3.964 -12.604 1.00 62.10 H new ATOM 0 HG13 ILE A 58 5.778 3.687 -12.691 1.00 62.10 H new ATOM 0 HG21 ILE A 58 6.862 2.120 -11.003 1.00 33.41 H new ATOM 0 HG22 ILE A 58 5.913 1.552 -9.608 1.00 33.41 H new ATOM 0 HG23 ILE A 58 5.615 0.869 -11.224 1.00 33.41 H new ATOM 0 HD11 ILE A 58 4.596 2.385 -14.391 1.00 71.11 H new ATOM 0 HD12 ILE A 58 5.384 1.306 -13.215 1.00 71.11 H new ATOM 0 HD13 ILE A 58 3.629 1.587 -13.127 1.00 71.11 H new ATOM 631 N THR A 59 3.603 1.468 -8.239 1.00 53.41 N ATOM 632 CA THR A 59 3.585 1.530 -6.791 1.00 42.33 C ATOM 633 C THR A 59 4.891 0.993 -6.229 1.00 61.13 C ATOM 634 O THR A 59 5.596 0.234 -6.893 1.00 45.22 O ATOM 635 CB THR A 59 2.396 0.743 -6.200 1.00 74.31 C ATOM 636 OG1 THR A 59 2.291 0.993 -4.797 1.00 42.25 O ATOM 637 CG2 THR A 59 2.552 -0.752 -6.431 1.00 33.04 C ATOM 0 H THR A 59 3.827 0.549 -8.622 1.00 53.41 H new ATOM 0 HA THR A 59 3.468 2.576 -6.507 1.00 42.33 H new ATOM 0 HB THR A 59 1.491 1.080 -6.706 1.00 74.31 H new ATOM 0 HG1 THR A 59 1.910 0.207 -4.352 1.00 42.25 H new ATOM 0 HG21 THR A 59 1.698 -1.277 -6.003 1.00 33.04 H new ATOM 0 HG22 THR A 59 2.601 -0.952 -7.501 1.00 33.04 H new ATOM 0 HG23 THR A 59 3.468 -1.100 -5.954 1.00 33.04 H new ATOM 645 N VAL A 60 5.213 1.406 -5.016 1.00 1.44 N ATOM 646 CA VAL A 60 6.426 0.975 -4.339 1.00 44.04 C ATOM 647 C VAL A 60 6.132 0.765 -2.858 1.00 65.41 C ATOM 648 O VAL A 60 5.017 1.041 -2.403 1.00 4.02 O ATOM 649 CB VAL A 60 7.576 2.004 -4.490 1.00 25.45 C ATOM 650 CG1 VAL A 60 7.966 2.193 -5.951 1.00 44.33 C ATOM 651 CG2 VAL A 60 7.195 3.338 -3.865 1.00 63.00 C ATOM 0 H VAL A 60 4.641 2.051 -4.471 1.00 1.44 H new ATOM 0 HA VAL A 60 6.749 0.043 -4.802 1.00 44.04 H new ATOM 0 HB VAL A 60 8.442 1.607 -3.960 1.00 25.45 H new ATOM 0 HG11 VAL A 60 8.775 2.921 -6.021 1.00 44.33 H new ATOM 0 HG12 VAL A 60 8.298 1.241 -6.365 1.00 44.33 H new ATOM 0 HG13 VAL A 60 7.105 2.553 -6.514 1.00 44.33 H new ATOM 0 HG21 VAL A 60 8.017 4.043 -3.983 1.00 63.00 H new ATOM 0 HG22 VAL A 60 6.306 3.731 -4.359 1.00 63.00 H new ATOM 0 HG23 VAL A 60 6.988 3.197 -2.804 1.00 63.00 H new ATOM 661 N ALA A 61 7.106 0.243 -2.121 1.00 3.01 N ATOM 662 CA ALA A 61 6.988 0.137 -0.672 1.00 12.32 C ATOM 663 C ALA A 61 6.640 1.501 -0.084 1.00 42.40 C ATOM 664 O ALA A 61 7.192 2.517 -0.505 1.00 75.24 O ATOM 665 CB ALA A 61 8.283 -0.390 -0.073 1.00 72.25 C ATOM 0 H ALA A 61 7.983 -0.112 -2.502 1.00 3.01 H new ATOM 0 HA ALA A 61 6.191 -0.565 -0.429 1.00 12.32 H new ATOM 0 HB1 ALA A 61 8.180 -0.464 1.010 1.00 72.25 H new ATOM 0 HB2 ALA A 61 8.500 -1.376 -0.485 1.00 72.25 H new ATOM 0 HB3 ALA A 61 9.099 0.291 -0.314 1.00 72.25 H new ATOM 671 N GLU A 62 5.732 1.523 0.885 1.00 53.02 N ATOM 672 CA GLU A 62 5.206 2.781 1.413 1.00 63.21 C ATOM 673 C GLU A 62 6.314 3.694 1.976 1.00 3.14 C ATOM 674 O GLU A 62 6.344 4.883 1.660 1.00 55.40 O ATOM 675 CB GLU A 62 4.124 2.516 2.462 1.00 23.25 C ATOM 676 CG GLU A 62 3.389 3.772 2.902 1.00 22.00 C ATOM 677 CD GLU A 62 2.164 3.468 3.734 1.00 75.33 C ATOM 678 OE1 GLU A 62 1.111 3.133 3.150 1.00 30.30 O ATOM 679 OE2 GLU A 62 2.239 3.566 4.977 1.00 63.03 O ATOM 0 H GLU A 62 5.344 0.687 1.322 1.00 53.02 H new ATOM 0 HA GLU A 62 4.756 3.316 0.577 1.00 63.21 H new ATOM 0 HB2 GLU A 62 3.403 1.805 2.058 1.00 23.25 H new ATOM 0 HB3 GLU A 62 4.581 2.047 3.334 1.00 23.25 H new ATOM 0 HG2 GLU A 62 4.067 4.402 3.477 1.00 22.00 H new ATOM 0 HG3 GLU A 62 3.093 4.343 2.022 1.00 22.00 H new ATOM 686 N PRO A 63 7.248 3.173 2.805 1.00 34.21 N ATOM 687 CA PRO A 63 8.381 3.969 3.306 1.00 10.32 C ATOM 688 C PRO A 63 9.297 4.471 2.185 1.00 1.33 C ATOM 689 O PRO A 63 10.132 5.351 2.395 1.00 12.15 O ATOM 690 CB PRO A 63 9.142 2.992 4.212 1.00 63.44 C ATOM 691 CG PRO A 63 8.147 1.945 4.564 1.00 55.13 C ATOM 692 CD PRO A 63 7.265 1.807 3.361 1.00 72.31 C ATOM 0 HA PRO A 63 8.037 4.869 3.816 1.00 10.32 H new ATOM 0 HB2 PRO A 63 10.002 2.563 3.697 1.00 63.44 H new ATOM 0 HB3 PRO A 63 9.521 3.493 5.103 1.00 63.44 H new ATOM 0 HG2 PRO A 63 8.638 1.001 4.800 1.00 55.13 H new ATOM 0 HG3 PRO A 63 7.570 2.233 5.443 1.00 55.13 H new ATOM 0 HD2 PRO A 63 7.665 1.086 2.648 1.00 72.31 H new ATOM 0 HD3 PRO A 63 6.265 1.468 3.630 1.00 72.31 H new ATOM 700 N ASP A 64 9.138 3.909 0.994 1.00 44.31 N ATOM 701 CA ASP A 64 9.948 4.297 -0.155 1.00 1.11 C ATOM 702 C ASP A 64 9.126 5.111 -1.146 1.00 42.43 C ATOM 703 O ASP A 64 9.617 5.494 -2.208 1.00 25.03 O ATOM 704 CB ASP A 64 10.535 3.063 -0.850 1.00 31.02 C ATOM 705 CG ASP A 64 11.699 2.463 -0.087 1.00 2.32 C ATOM 706 OD1 ASP A 64 11.464 1.691 0.871 1.00 30.23 O ATOM 707 OD2 ASP A 64 12.861 2.769 -0.432 1.00 73.35 O ATOM 0 H ASP A 64 8.453 3.180 0.797 1.00 44.31 H new ATOM 0 HA ASP A 64 10.769 4.915 0.209 1.00 1.11 H new ATOM 0 HB2 ASP A 64 9.755 2.311 -0.966 1.00 31.02 H new ATOM 0 HB3 ASP A 64 10.865 3.337 -1.852 1.00 31.02 H new ATOM 712 N PHE A 65 7.876 5.389 -0.784 1.00 73.22 N ATOM 713 CA PHE A 65 6.984 6.173 -1.633 1.00 24.25 C ATOM 714 C PHE A 65 7.541 7.578 -1.827 1.00 1.31 C ATOM 715 O PHE A 65 7.349 8.198 -2.873 1.00 71.44 O ATOM 716 CB PHE A 65 5.582 6.228 -1.016 1.00 14.11 C ATOM 717 CG PHE A 65 4.576 6.991 -1.834 1.00 53.42 C ATOM 718 CD1 PHE A 65 4.016 6.430 -2.970 1.00 2.10 C ATOM 719 CD2 PHE A 65 4.184 8.267 -1.459 1.00 62.21 C ATOM 720 CE1 PHE A 65 3.085 7.128 -3.718 1.00 75.32 C ATOM 721 CE2 PHE A 65 3.254 8.970 -2.202 1.00 43.44 C ATOM 722 CZ PHE A 65 2.703 8.399 -3.333 1.00 1.35 C ATOM 0 H PHE A 65 7.457 5.082 0.094 1.00 73.22 H new ATOM 0 HA PHE A 65 6.914 5.693 -2.609 1.00 24.25 H new ATOM 0 HB2 PHE A 65 5.220 5.210 -0.874 1.00 14.11 H new ATOM 0 HB3 PHE A 65 5.650 6.683 -0.028 1.00 14.11 H new ATOM 0 HD1 PHE A 65 4.310 5.436 -3.275 1.00 2.10 H new ATOM 0 HD2 PHE A 65 4.611 8.718 -0.575 1.00 62.21 H new ATOM 0 HE1 PHE A 65 2.657 6.680 -4.602 1.00 75.32 H new ATOM 0 HE2 PHE A 65 2.959 9.964 -1.899 1.00 43.44 H new ATOM 0 HZ PHE A 65 1.975 8.945 -3.915 1.00 1.35 H new ATOM 732 N THR A 66 8.256 8.062 -0.818 1.00 60.51 N ATOM 733 CA THR A 66 8.877 9.375 -0.875 1.00 64.41 C ATOM 734 C THR A 66 9.916 9.441 -1.995 1.00 61.43 C ATOM 735 O THR A 66 10.153 10.504 -2.568 1.00 51.43 O ATOM 736 CB THR A 66 9.530 9.740 0.479 1.00 25.13 C ATOM 737 OG1 THR A 66 10.113 11.047 0.416 1.00 63.02 O ATOM 738 CG2 THR A 66 10.592 8.723 0.880 1.00 41.51 C ATOM 0 H THR A 66 8.419 7.559 0.054 1.00 60.51 H new ATOM 0 HA THR A 66 8.092 10.101 -1.087 1.00 64.41 H new ATOM 0 HB THR A 66 8.745 9.729 1.235 1.00 25.13 H new ATOM 0 HG1 THR A 66 10.521 11.265 1.280 1.00 63.02 H new ATOM 0 HG21 THR A 66 11.029 9.011 1.836 1.00 41.51 H new ATOM 0 HG22 THR A 66 10.136 7.737 0.972 1.00 41.51 H new ATOM 0 HG23 THR A 66 11.372 8.692 0.119 1.00 41.51 H new ATOM 746 N ALA A 67 10.517 8.298 -2.315 1.00 22.24 N ATOM 747 CA ALA A 67 11.510 8.230 -3.374 1.00 65.05 C ATOM 748 C ALA A 67 10.837 8.321 -4.733 1.00 12.04 C ATOM 749 O ALA A 67 11.328 9.003 -5.631 1.00 64.42 O ATOM 750 CB ALA A 67 12.326 6.953 -3.268 1.00 12.20 C ATOM 0 H ALA A 67 10.331 7.408 -1.853 1.00 22.24 H new ATOM 0 HA ALA A 67 12.189 9.076 -3.263 1.00 65.05 H new ATOM 0 HB1 ALA A 67 13.063 6.924 -4.071 1.00 12.20 H new ATOM 0 HB2 ALA A 67 12.837 6.927 -2.306 1.00 12.20 H new ATOM 0 HB3 ALA A 67 11.665 6.091 -3.351 1.00 12.20 H new ATOM 756 N ALA A 68 9.701 7.639 -4.867 1.00 45.15 N ATOM 757 CA ALA A 68 8.907 7.683 -6.092 1.00 32.00 C ATOM 758 C ALA A 68 8.571 9.125 -6.463 1.00 24.22 C ATOM 759 O ALA A 68 8.652 9.515 -7.625 1.00 50.00 O ATOM 760 CB ALA A 68 7.634 6.866 -5.923 1.00 73.01 C ATOM 0 H ALA A 68 9.308 7.046 -4.136 1.00 45.15 H new ATOM 0 HA ALA A 68 9.495 7.250 -6.902 1.00 32.00 H new ATOM 0 HB1 ALA A 68 7.051 6.907 -6.843 1.00 73.01 H new ATOM 0 HB2 ALA A 68 7.893 5.830 -5.703 1.00 73.01 H new ATOM 0 HB3 ALA A 68 7.045 7.275 -5.102 1.00 73.01 H new ATOM 766 N VAL A 69 8.219 9.914 -5.453 1.00 35.01 N ATOM 767 CA VAL A 69 7.897 11.325 -5.645 1.00 2.44 C ATOM 768 C VAL A 69 9.094 12.086 -6.217 1.00 21.21 C ATOM 769 O VAL A 69 8.944 12.901 -7.130 1.00 11.23 O ATOM 770 CB VAL A 69 7.460 11.984 -4.318 1.00 72.40 C ATOM 771 CG1 VAL A 69 7.104 13.447 -4.526 1.00 73.53 C ATOM 772 CG2 VAL A 69 6.287 11.232 -3.707 1.00 20.31 C ATOM 0 H VAL A 69 8.149 9.598 -4.486 1.00 35.01 H new ATOM 0 HA VAL A 69 7.070 11.374 -6.353 1.00 2.44 H new ATOM 0 HB VAL A 69 8.301 11.936 -3.626 1.00 72.40 H new ATOM 0 HG11 VAL A 69 6.800 13.886 -3.576 1.00 73.53 H new ATOM 0 HG12 VAL A 69 7.972 13.981 -4.911 1.00 73.53 H new ATOM 0 HG13 VAL A 69 6.284 13.524 -5.240 1.00 73.53 H new ATOM 0 HG21 VAL A 69 5.994 11.712 -2.773 1.00 20.31 H new ATOM 0 HG22 VAL A 69 5.446 11.244 -4.400 1.00 20.31 H new ATOM 0 HG23 VAL A 69 6.579 10.201 -3.509 1.00 20.31 H new ATOM 782 N TYR A 70 10.281 11.800 -5.689 1.00 13.44 N ATOM 783 CA TYR A 70 11.501 12.465 -6.142 1.00 61.31 C ATOM 784 C TYR A 70 11.759 12.188 -7.616 1.00 11.12 C ATOM 785 O TYR A 70 12.128 13.092 -8.369 1.00 32.33 O ATOM 786 CB TYR A 70 12.716 12.016 -5.322 1.00 32.22 C ATOM 787 CG TYR A 70 12.663 12.406 -3.862 1.00 35.42 C ATOM 788 CD1 TYR A 70 12.203 13.659 -3.470 1.00 33.34 C ATOM 789 CD2 TYR A 70 13.083 11.525 -2.875 1.00 31.44 C ATOM 790 CE1 TYR A 70 12.166 14.019 -2.137 1.00 1.21 C ATOM 791 CE2 TYR A 70 13.046 11.877 -1.541 1.00 60.44 C ATOM 792 CZ TYR A 70 12.586 13.124 -1.177 1.00 53.15 C ATOM 793 OH TYR A 70 12.553 13.478 0.151 1.00 34.13 O ATOM 0 H TYR A 70 10.425 11.114 -4.948 1.00 13.44 H new ATOM 0 HA TYR A 70 11.354 13.536 -6.000 1.00 61.31 H new ATOM 0 HB2 TYR A 70 12.806 10.932 -5.393 1.00 32.22 H new ATOM 0 HB3 TYR A 70 13.616 12.441 -5.767 1.00 32.22 H new ATOM 0 HD1 TYR A 70 11.870 14.361 -4.220 1.00 33.34 H new ATOM 0 HD2 TYR A 70 13.445 10.547 -3.156 1.00 31.44 H new ATOM 0 HE1 TYR A 70 11.810 14.997 -1.849 1.00 1.21 H new ATOM 0 HE2 TYR A 70 13.376 11.179 -0.786 1.00 60.44 H new ATOM 0 HH TYR A 70 12.882 12.733 0.696 1.00 34.13 H new ATOM 803 N TRP A 71 11.550 10.943 -8.025 1.00 42.00 N ATOM 804 CA TRP A 71 11.808 10.543 -9.402 1.00 33.50 C ATOM 805 C TRP A 71 10.879 11.279 -10.357 1.00 0.22 C ATOM 806 O TRP A 71 11.323 11.852 -11.354 1.00 21.32 O ATOM 807 CB TRP A 71 11.622 9.033 -9.585 1.00 40.22 C ATOM 808 CG TRP A 71 12.383 8.182 -8.610 1.00 34.52 C ATOM 809 CD1 TRP A 71 11.983 6.978 -8.106 1.00 41.52 C ATOM 810 CD2 TRP A 71 13.665 8.458 -8.022 1.00 22.13 C ATOM 811 NE1 TRP A 71 12.930 6.489 -7.240 1.00 71.12 N ATOM 812 CE2 TRP A 71 13.969 7.380 -7.166 1.00 21.01 C ATOM 813 CE3 TRP A 71 14.579 9.512 -8.125 1.00 73.22 C ATOM 814 CZ2 TRP A 71 15.149 7.322 -6.432 1.00 24.03 C ATOM 815 CZ3 TRP A 71 15.749 9.452 -7.394 1.00 72.12 C ATOM 816 CH2 TRP A 71 16.022 8.365 -6.555 1.00 65.21 C ATOM 0 H TRP A 71 11.203 10.195 -7.425 1.00 42.00 H new ATOM 0 HA TRP A 71 12.843 10.802 -9.628 1.00 33.50 H new ATOM 0 HB2 TRP A 71 10.561 8.799 -9.499 1.00 40.22 H new ATOM 0 HB3 TRP A 71 11.927 8.763 -10.596 1.00 40.22 H new ATOM 0 HD1 TRP A 71 11.056 6.482 -8.353 1.00 41.52 H new ATOM 0 HE1 TRP A 71 12.870 5.606 -6.734 1.00 71.12 H new ATOM 0 HE3 TRP A 71 14.373 10.357 -8.765 1.00 73.22 H new ATOM 0 HZ2 TRP A 71 15.367 6.483 -5.788 1.00 24.03 H new ATOM 0 HZ3 TRP A 71 16.465 10.257 -7.471 1.00 72.12 H new ATOM 0 HH2 TRP A 71 16.944 8.351 -5.992 1.00 65.21 H new ATOM 827 N ILE A 72 9.591 11.284 -10.033 1.00 3.30 N ATOM 828 CA ILE A 72 8.580 11.840 -10.924 1.00 71.41 C ATOM 829 C ILE A 72 8.668 13.363 -10.985 1.00 12.01 C ATOM 830 O ILE A 72 8.261 13.975 -11.972 1.00 63.34 O ATOM 831 CB ILE A 72 7.154 11.421 -10.498 1.00 52.52 C ATOM 832 CG1 ILE A 72 7.098 9.914 -10.235 1.00 0.41 C ATOM 833 CG2 ILE A 72 6.141 11.805 -11.569 1.00 33.43 C ATOM 834 CD1 ILE A 72 7.562 9.073 -11.404 1.00 2.44 C ATOM 0 H ILE A 72 9.222 10.909 -9.159 1.00 3.30 H new ATOM 0 HA ILE A 72 8.781 11.436 -11.916 1.00 71.41 H new ATOM 0 HB ILE A 72 6.902 11.947 -9.577 1.00 52.52 H new ATOM 0 HG12 ILE A 72 7.714 9.683 -9.366 1.00 0.41 H new ATOM 0 HG13 ILE A 72 6.075 9.636 -9.983 1.00 0.41 H new ATOM 0 HG21 ILE A 72 5.143 11.502 -11.251 1.00 33.43 H new ATOM 0 HG22 ILE A 72 6.162 12.884 -11.719 1.00 33.43 H new ATOM 0 HG23 ILE A 72 6.392 11.304 -12.504 1.00 33.43 H new ATOM 0 HD11 ILE A 72 7.494 8.017 -11.142 1.00 2.44 H new ATOM 0 HD12 ILE A 72 6.931 9.274 -12.270 1.00 2.44 H new ATOM 0 HD13 ILE A 72 8.596 9.321 -11.643 1.00 2.44 H new ATOM 846 N LYS A 73 9.228 13.974 -9.942 1.00 71.30 N ATOM 847 CA LYS A 73 9.383 15.429 -9.904 1.00 4.31 C ATOM 848 C LYS A 73 10.276 15.906 -11.052 1.00 3.03 C ATOM 849 O LYS A 73 10.238 17.073 -11.444 1.00 33.12 O ATOM 850 CB LYS A 73 9.987 15.882 -8.573 1.00 42.22 C ATOM 851 CG LYS A 73 9.876 17.385 -8.351 1.00 51.34 C ATOM 852 CD LYS A 73 11.000 17.916 -7.477 1.00 74.12 C ATOM 853 CE LYS A 73 11.002 17.289 -6.093 1.00 1.01 C ATOM 854 NZ LYS A 73 12.159 17.761 -5.291 1.00 70.14 N ATOM 0 H LYS A 73 9.580 13.489 -9.117 1.00 71.30 H new ATOM 0 HA LYS A 73 8.391 15.868 -10.011 1.00 4.31 H new ATOM 0 HB2 LYS A 73 9.486 15.362 -7.757 1.00 42.22 H new ATOM 0 HB3 LYS A 73 11.037 15.592 -8.539 1.00 42.22 H new ATOM 0 HG2 LYS A 73 9.893 17.896 -9.314 1.00 51.34 H new ATOM 0 HG3 LYS A 73 8.917 17.613 -7.886 1.00 51.34 H new ATOM 0 HD2 LYS A 73 11.957 17.722 -7.962 1.00 74.12 H new ATOM 0 HD3 LYS A 73 10.904 18.998 -7.383 1.00 74.12 H new ATOM 0 HE2 LYS A 73 10.074 17.536 -5.578 1.00 1.01 H new ATOM 0 HE3 LYS A 73 11.037 16.203 -6.183 1.00 1.01 H new ATOM 0 HZ1 LYS A 73 12.134 17.316 -4.351 1.00 70.14 H new ATOM 0 HZ2 LYS A 73 13.044 17.503 -5.773 1.00 70.14 H new ATOM 0 HZ3 LYS A 73 12.110 18.795 -5.186 1.00 70.14 H new ATOM 868 N THR A 74 11.074 14.991 -11.589 1.00 14.43 N ATOM 869 CA THR A 74 11.977 15.307 -12.687 1.00 73.21 C ATOM 870 C THR A 74 11.200 15.508 -13.991 1.00 1.31 C ATOM 871 O THR A 74 11.694 16.130 -14.937 1.00 21.43 O ATOM 872 CB THR A 74 13.009 14.179 -12.884 1.00 44.30 C ATOM 873 OG1 THR A 74 13.410 13.661 -11.606 1.00 72.23 O ATOM 874 CG2 THR A 74 14.235 14.682 -13.632 1.00 14.12 C ATOM 0 H THR A 74 11.113 14.020 -11.279 1.00 14.43 H new ATOM 0 HA THR A 74 12.495 16.232 -12.432 1.00 73.21 H new ATOM 0 HB THR A 74 12.542 13.391 -13.475 1.00 44.30 H new ATOM 0 HG1 THR A 74 12.792 12.952 -11.332 1.00 72.23 H new ATOM 0 HG21 THR A 74 14.946 13.865 -13.757 1.00 14.12 H new ATOM 0 HG22 THR A 74 13.936 15.055 -14.611 1.00 14.12 H new ATOM 0 HG23 THR A 74 14.703 15.487 -13.065 1.00 14.12 H new ATOM 882 N TYR A 75 9.978 14.990 -14.033 1.00 14.41 N ATOM 883 CA TYR A 75 9.163 15.053 -15.236 1.00 33.13 C ATOM 884 C TYR A 75 8.445 16.398 -15.329 1.00 34.44 C ATOM 885 O TYR A 75 7.575 16.713 -14.513 1.00 20.12 O ATOM 886 CB TYR A 75 8.152 13.902 -15.256 1.00 32.01 C ATOM 887 CG TYR A 75 7.424 13.751 -16.576 1.00 4.40 C ATOM 888 CD1 TYR A 75 8.115 13.395 -17.729 1.00 64.44 C ATOM 889 CD2 TYR A 75 6.053 13.958 -16.670 1.00 40.22 C ATOM 890 CE1 TYR A 75 7.461 13.250 -18.936 1.00 24.04 C ATOM 891 CE2 TYR A 75 5.392 13.815 -17.876 1.00 40.50 C ATOM 892 CZ TYR A 75 6.103 13.462 -19.006 1.00 62.35 C ATOM 893 OH TYR A 75 5.452 13.317 -20.211 1.00 62.33 O ATOM 0 H TYR A 75 9.531 14.521 -13.245 1.00 14.41 H new ATOM 0 HA TYR A 75 9.818 14.954 -16.102 1.00 33.13 H new ATOM 0 HB2 TYR A 75 8.671 12.971 -15.029 1.00 32.01 H new ATOM 0 HB3 TYR A 75 7.420 14.060 -14.464 1.00 32.01 H new ATOM 0 HD1 TYR A 75 9.181 13.229 -17.679 1.00 64.44 H new ATOM 0 HD2 TYR A 75 5.495 14.235 -15.788 1.00 40.22 H new ATOM 0 HE1 TYR A 75 8.013 12.971 -19.822 1.00 24.04 H new ATOM 0 HE2 TYR A 75 4.326 13.978 -17.934 1.00 40.50 H new ATOM 0 HH TYR A 75 4.497 13.501 -20.091 1.00 62.33 H new