USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 666 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 69 SER OG : rot -91:sc= 0.775 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0.676 USER MOD Set 2.1: A 50 GLN : amide:sc= -1.55 K(o=-3.6,f=-5.9!) USER MOD Set 2.2: A 81 MET CE :methyl -132:sc= -2.07! (180deg=-3.64!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.188 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.695 K(o=0.69,f=-0.15) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0944 USER MOD Single : A 16 GLN : amide:sc= -0.621 X(o=-0.62,f=-0.12) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0224 K(o=-0.022,f=-1.5!) USER MOD Single : A 21 LYS NZ :NH3+ 153:sc= 0.351 (180deg=0.169) USER MOD Single : A 35 CYS SG : rot 48:sc= -1.59 USER MOD Single : A 37 SER OG : rot 180:sc= -0.284 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.396) USER MOD Single : A 45 MET CE :methyl 175:sc= -0.0793 (180deg=-0.116) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -2.42! C(o=-2.4!,f=-5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.77! USER MOD Single : A 58 GLN : amide:sc=-0.00566 X(o=-0.0057,f=0) USER MOD Single : A 60 MET CE :methyl -156:sc= -0.0559 (180deg=-1.07) USER MOD Single : A 80 MET CE :methyl -170:sc= -2.69! (180deg=-2.91!) USER MOD Single : A 84 CYS SG : rot 140:sc= -0.336 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 91.434 7.120 0.880 1.00 3.22 N ATOM 2 CA MET A 1 90.035 6.617 0.759 1.00 2.61 C ATOM 3 C MET A 1 89.839 5.379 1.637 1.00 2.16 C ATOM 4 O MET A 1 90.687 4.512 1.703 1.00 2.75 O ATOM 5 CB MET A 1 89.868 6.258 -0.718 1.00 3.09 C ATOM 6 CG MET A 1 88.418 6.497 -1.142 1.00 3.96 C ATOM 7 SD MET A 1 88.375 7.672 -2.517 1.00 4.65 S ATOM 8 CE MET A 1 86.582 7.672 -2.760 1.00 5.42 C ATOM 0 H1 MET A 1 91.554 7.960 0.279 1.00 3.22 H new ATOM 0 H2 MET A 1 91.628 7.372 1.870 1.00 3.22 H new ATOM 0 H3 MET A 1 92.097 6.379 0.575 1.00 3.22 H new ATOM 0 HA MET A 1 89.302 7.356 1.084 1.00 2.61 H new ATOM 0 HB2 MET A 1 90.540 6.862 -1.328 1.00 3.09 H new ATOM 0 HB3 MET A 1 90.139 5.215 -0.882 1.00 3.09 H new ATOM 0 HG2 MET A 1 87.956 5.556 -1.440 1.00 3.96 H new ATOM 0 HG3 MET A 1 87.842 6.884 -0.302 1.00 3.96 H new ATOM 0 HE1 MET A 1 86.326 8.345 -3.579 1.00 5.42 H new ATOM 0 HE2 MET A 1 86.248 6.663 -3.001 1.00 5.42 H new ATOM 0 HE3 MET A 1 86.091 8.008 -1.847 1.00 5.42 H new ATOM 20 N ASP A 2 88.725 5.290 2.311 1.00 1.80 N ATOM 21 CA ASP A 2 88.474 4.107 3.183 1.00 1.98 C ATOM 22 C ASP A 2 87.234 3.350 2.704 1.00 1.58 C ATOM 23 O ASP A 2 87.279 2.164 2.450 1.00 2.28 O ATOM 24 CB ASP A 2 88.242 4.690 4.578 1.00 2.93 C ATOM 25 CG ASP A 2 89.552 5.268 5.114 1.00 3.62 C ATOM 26 OD1 ASP A 2 89.824 6.425 4.836 1.00 4.19 O ATOM 27 OD2 ASP A 2 90.262 4.546 5.793 1.00 4.06 O ATOM 0 H ASP A 2 87.978 5.985 2.296 1.00 1.80 H new ATOM 0 HA ASP A 2 89.302 3.398 3.168 1.00 1.98 H new ATOM 0 HB2 ASP A 2 87.479 5.468 4.536 1.00 2.93 H new ATOM 0 HB3 ASP A 2 87.872 3.916 5.250 1.00 2.93 H new ATOM 32 N ASP A 3 86.124 4.028 2.580 1.00 1.09 N ATOM 33 CA ASP A 3 84.882 3.345 2.119 1.00 1.04 C ATOM 34 C ASP A 3 84.589 2.132 3.006 1.00 0.99 C ATOM 35 O ASP A 3 85.248 1.115 2.921 1.00 1.06 O ATOM 36 CB ASP A 3 85.179 2.908 0.685 1.00 1.37 C ATOM 37 CG ASP A 3 85.511 4.135 -0.165 1.00 1.89 C ATOM 38 OD1 ASP A 3 84.845 5.144 0.000 1.00 2.31 O ATOM 39 OD2 ASP A 3 86.427 4.046 -0.967 1.00 2.45 O ATOM 0 H ASP A 3 86.024 5.024 2.778 1.00 1.09 H new ATOM 0 HA ASP A 3 84.007 3.993 2.171 1.00 1.04 H new ATOM 0 HB2 ASP A 3 86.014 2.208 0.673 1.00 1.37 H new ATOM 0 HB3 ASP A 3 84.318 2.385 0.267 1.00 1.37 H new ATOM 44 N ILE A 4 83.608 2.233 3.859 1.00 0.90 N ATOM 45 CA ILE A 4 83.277 1.088 4.755 1.00 0.89 C ATOM 46 C ILE A 4 81.999 0.392 4.277 1.00 0.82 C ATOM 47 O ILE A 4 81.801 -0.786 4.499 1.00 0.85 O ATOM 48 CB ILE A 4 83.064 1.714 6.136 1.00 0.85 C ATOM 49 CG1 ILE A 4 81.706 2.421 6.176 1.00 1.02 C ATOM 50 CG2 ILE A 4 84.171 2.733 6.411 1.00 0.75 C ATOM 51 CD1 ILE A 4 81.425 2.911 7.597 1.00 1.74 C ATOM 0 H ILE A 4 83.021 3.059 3.975 1.00 0.90 H new ATOM 0 HA ILE A 4 84.063 0.333 4.767 1.00 0.89 H new ATOM 0 HB ILE A 4 83.090 0.931 6.894 1.00 0.85 H new ATOM 0 HG12 ILE A 4 81.702 3.262 5.483 1.00 1.02 H new ATOM 0 HG13 ILE A 4 80.920 1.739 5.854 1.00 1.02 H new ATOM 0 HG21 ILE A 4 84.019 3.179 7.394 1.00 0.75 H new ATOM 0 HG22 ILE A 4 85.140 2.234 6.384 1.00 0.75 H new ATOM 0 HG23 ILE A 4 84.144 3.514 5.651 1.00 0.75 H new ATOM 0 HD11 ILE A 4 80.458 3.414 7.624 1.00 1.74 H new ATOM 0 HD12 ILE A 4 81.411 2.061 8.279 1.00 1.74 H new ATOM 0 HD13 ILE A 4 82.205 3.608 7.902 1.00 1.74 H new ATOM 63 N TYR A 5 81.131 1.115 3.627 1.00 0.78 N ATOM 64 CA TYR A 5 79.862 0.502 3.139 1.00 0.78 C ATOM 65 C TYR A 5 80.099 -0.198 1.799 1.00 0.92 C ATOM 66 O TYR A 5 79.466 -1.185 1.481 1.00 0.99 O ATOM 67 CB TYR A 5 78.885 1.671 2.970 1.00 0.78 C ATOM 68 CG TYR A 5 79.061 2.658 4.101 1.00 0.92 C ATOM 69 CD1 TYR A 5 78.671 2.312 5.401 1.00 1.77 C ATOM 70 CD2 TYR A 5 79.619 3.918 3.852 1.00 1.31 C ATOM 71 CE1 TYR A 5 78.837 3.224 6.449 1.00 2.00 C ATOM 72 CE2 TYR A 5 79.786 4.831 4.899 1.00 1.36 C ATOM 73 CZ TYR A 5 79.394 4.485 6.198 1.00 1.35 C ATOM 74 OH TYR A 5 79.560 5.384 7.231 1.00 1.60 O ATOM 0 H TYR A 5 81.245 2.106 3.412 1.00 0.78 H new ATOM 0 HA TYR A 5 79.476 -0.248 3.829 1.00 0.78 H new ATOM 0 HB2 TYR A 5 79.058 2.166 2.014 1.00 0.78 H new ATOM 0 HB3 TYR A 5 77.860 1.300 2.956 1.00 0.78 H new ATOM 0 HD1 TYR A 5 78.242 1.340 5.595 1.00 1.77 H new ATOM 0 HD2 TYR A 5 79.921 4.185 2.850 1.00 1.31 H new ATOM 0 HE1 TYR A 5 78.536 2.956 7.451 1.00 2.00 H new ATOM 0 HE2 TYR A 5 80.217 5.802 4.705 1.00 1.36 H new ATOM 0 HH TYR A 5 79.960 6.209 6.885 1.00 1.60 H new ATOM 84 N LYS A 6 81.009 0.306 1.011 1.00 1.02 N ATOM 85 CA LYS A 6 81.290 -0.327 -0.310 1.00 1.19 C ATOM 86 C LYS A 6 81.447 -1.842 -0.150 1.00 1.15 C ATOM 87 O LYS A 6 81.141 -2.605 -1.045 1.00 1.19 O ATOM 88 CB LYS A 6 82.602 0.301 -0.778 1.00 1.38 C ATOM 89 CG LYS A 6 82.608 0.396 -2.304 1.00 1.86 C ATOM 90 CD LYS A 6 83.967 -0.057 -2.839 1.00 1.94 C ATOM 91 CE LYS A 6 84.280 0.691 -4.137 1.00 2.16 C ATOM 92 NZ LYS A 6 85.729 1.026 -4.047 1.00 2.91 N ATOM 0 H LYS A 6 81.571 1.130 1.225 1.00 1.02 H new ATOM 0 HA LYS A 6 80.483 -0.166 -1.024 1.00 1.19 H new ATOM 0 HB2 LYS A 6 82.719 1.293 -0.341 1.00 1.38 H new ATOM 0 HB3 LYS A 6 83.446 -0.299 -0.437 1.00 1.38 H new ATOM 0 HG2 LYS A 6 81.816 -0.226 -2.721 1.00 1.86 H new ATOM 0 HG3 LYS A 6 82.406 1.421 -2.616 1.00 1.86 H new ATOM 0 HD2 LYS A 6 84.744 0.136 -2.099 1.00 1.94 H new ATOM 0 HD3 LYS A 6 83.959 -1.132 -3.019 1.00 1.94 H new ATOM 0 HE2 LYS A 6 84.071 0.072 -5.010 1.00 2.16 H new ATOM 0 HE3 LYS A 6 83.672 1.591 -4.231 1.00 2.16 H new ATOM 0 HZ1 LYS A 6 86.020 1.541 -4.902 1.00 2.91 H new ATOM 0 HZ2 LYS A 6 85.896 1.621 -3.211 1.00 2.91 H new ATOM 0 HZ3 LYS A 6 86.283 0.150 -3.965 1.00 2.91 H new ATOM 106 N ALA A 7 81.923 -2.284 0.982 1.00 1.13 N ATOM 107 CA ALA A 7 82.101 -3.749 1.195 1.00 1.14 C ATOM 108 C ALA A 7 80.751 -4.412 1.487 1.00 1.06 C ATOM 109 O ALA A 7 80.584 -5.603 1.317 1.00 1.10 O ATOM 110 CB ALA A 7 83.027 -3.865 2.406 1.00 1.20 C ATOM 0 H ALA A 7 82.196 -1.695 1.768 1.00 1.13 H new ATOM 0 HA ALA A 7 82.514 -4.245 0.317 1.00 1.14 H new ATOM 0 HB1 ALA A 7 83.207 -4.917 2.627 1.00 1.20 H new ATOM 0 HB2 ALA A 7 83.975 -3.373 2.188 1.00 1.20 H new ATOM 0 HB3 ALA A 7 82.560 -3.388 3.268 1.00 1.20 H new ATOM 116 N ALA A 8 79.789 -3.649 1.927 1.00 0.99 N ATOM 117 CA ALA A 8 78.451 -4.235 2.233 1.00 0.95 C ATOM 118 C ALA A 8 77.748 -4.666 0.942 1.00 0.95 C ATOM 119 O ALA A 8 77.306 -5.791 0.811 1.00 1.02 O ATOM 120 CB ALA A 8 77.674 -3.110 2.915 1.00 0.91 C ATOM 0 H ALA A 8 79.870 -2.645 2.088 1.00 0.99 H new ATOM 0 HA ALA A 8 78.525 -5.122 2.862 1.00 0.95 H new ATOM 0 HB1 ALA A 8 76.675 -3.462 3.173 1.00 0.91 H new ATOM 0 HB2 ALA A 8 78.196 -2.805 3.822 1.00 0.91 H new ATOM 0 HB3 ALA A 8 77.595 -2.260 2.238 1.00 0.91 H new ATOM 126 N VAL A 9 77.638 -3.781 -0.009 1.00 0.97 N ATOM 127 CA VAL A 9 76.959 -4.139 -1.288 1.00 1.07 C ATOM 128 C VAL A 9 77.712 -5.270 -1.994 1.00 1.16 C ATOM 129 O VAL A 9 77.137 -6.043 -2.736 1.00 1.18 O ATOM 130 CB VAL A 9 77.001 -2.863 -2.130 1.00 1.21 C ATOM 131 CG1 VAL A 9 76.609 -3.189 -3.572 1.00 1.89 C ATOM 132 CG2 VAL A 9 76.019 -1.840 -1.554 1.00 1.49 C ATOM 0 H VAL A 9 77.989 -2.825 0.043 1.00 0.97 H new ATOM 0 HA VAL A 9 75.940 -4.490 -1.127 1.00 1.07 H new ATOM 0 HB VAL A 9 78.010 -2.450 -2.113 1.00 1.21 H new ATOM 0 HG11 VAL A 9 76.639 -2.279 -4.172 1.00 1.89 H new ATOM 0 HG12 VAL A 9 77.308 -3.918 -3.983 1.00 1.89 H new ATOM 0 HG13 VAL A 9 75.601 -3.602 -3.590 1.00 1.89 H new ATOM 0 HG21 VAL A 9 76.048 -0.930 -2.153 1.00 1.49 H new ATOM 0 HG22 VAL A 9 75.011 -2.254 -1.571 1.00 1.49 H new ATOM 0 HG23 VAL A 9 76.298 -1.607 -0.526 1.00 1.49 H new ATOM 142 N GLU A 10 78.993 -5.373 -1.772 1.00 1.28 N ATOM 143 CA GLU A 10 79.780 -6.454 -2.434 1.00 1.44 C ATOM 144 C GLU A 10 79.590 -7.781 -1.693 1.00 1.41 C ATOM 145 O GLU A 10 79.536 -8.835 -2.293 1.00 1.54 O ATOM 146 CB GLU A 10 81.235 -5.995 -2.348 1.00 1.68 C ATOM 147 CG GLU A 10 82.162 -7.173 -2.655 1.00 2.16 C ATOM 148 CD GLU A 10 83.165 -6.766 -3.737 1.00 2.64 C ATOM 149 OE1 GLU A 10 83.225 -5.588 -4.049 1.00 3.13 O ATOM 150 OE2 GLU A 10 83.855 -7.640 -4.235 1.00 3.13 O ATOM 0 H GLU A 10 79.530 -4.757 -1.162 1.00 1.28 H new ATOM 0 HA GLU A 10 79.465 -6.620 -3.464 1.00 1.44 H new ATOM 0 HB2 GLU A 10 81.414 -5.184 -3.054 1.00 1.68 H new ATOM 0 HB3 GLU A 10 81.445 -5.603 -1.353 1.00 1.68 H new ATOM 0 HG2 GLU A 10 82.690 -7.479 -1.752 1.00 2.16 H new ATOM 0 HG3 GLU A 10 81.579 -8.031 -2.989 1.00 2.16 H new ATOM 157 N GLN A 11 79.491 -7.737 -0.393 1.00 1.37 N ATOM 158 CA GLN A 11 79.307 -8.997 0.383 1.00 1.43 C ATOM 159 C GLN A 11 78.017 -9.701 -0.045 1.00 1.24 C ATOM 160 O GLN A 11 77.954 -10.913 -0.118 1.00 1.31 O ATOM 161 CB GLN A 11 79.220 -8.555 1.845 1.00 1.58 C ATOM 162 CG GLN A 11 80.489 -8.985 2.584 1.00 1.88 C ATOM 163 CD GLN A 11 80.670 -8.125 3.837 1.00 2.09 C ATOM 164 OE1 GLN A 11 80.835 -8.642 4.924 1.00 2.64 O ATOM 165 NE2 GLN A 11 80.647 -6.825 3.729 1.00 2.48 N ATOM 0 H GLN A 11 79.529 -6.884 0.166 1.00 1.37 H new ATOM 0 HA GLN A 11 80.121 -9.704 0.220 1.00 1.43 H new ATOM 0 HB2 GLN A 11 79.102 -7.473 1.903 1.00 1.58 H new ATOM 0 HB3 GLN A 11 78.343 -8.997 2.318 1.00 1.58 H new ATOM 0 HG2 GLN A 11 80.422 -10.037 2.860 1.00 1.88 H new ATOM 0 HG3 GLN A 11 81.355 -8.881 1.931 1.00 1.88 H new ATOM 0 HE21 GLN A 11 80.508 -6.391 2.816 1.00 2.48 H new ATOM 0 HE22 GLN A 11 80.768 -6.242 4.557 1.00 2.48 H new ATOM 174 N LEU A 12 76.987 -8.953 -0.330 1.00 1.24 N ATOM 175 CA LEU A 12 75.703 -9.583 -0.754 1.00 1.13 C ATOM 176 C LEU A 12 75.946 -10.548 -1.919 1.00 1.02 C ATOM 177 O LEU A 12 76.650 -10.237 -2.858 1.00 1.28 O ATOM 178 CB LEU A 12 74.819 -8.417 -1.200 1.00 1.12 C ATOM 179 CG LEU A 12 74.449 -7.564 0.013 1.00 1.28 C ATOM 180 CD1 LEU A 12 73.724 -6.300 -0.454 1.00 2.02 C ATOM 181 CD2 LEU A 12 73.532 -8.365 0.939 1.00 1.49 C ATOM 0 H LEU A 12 76.978 -7.934 -0.288 1.00 1.24 H new ATOM 0 HA LEU A 12 75.243 -10.162 0.047 1.00 1.13 H new ATOM 0 HB2 LEU A 12 75.344 -7.810 -1.938 1.00 1.12 H new ATOM 0 HB3 LEU A 12 73.917 -8.794 -1.681 1.00 1.12 H new ATOM 0 HG LEU A 12 75.355 -7.285 0.551 1.00 1.28 H new ATOM 0 HD11 LEU A 12 73.460 -5.691 0.411 1.00 2.02 H new ATOM 0 HD12 LEU A 12 74.377 -5.729 -1.114 1.00 2.02 H new ATOM 0 HD13 LEU A 12 72.818 -6.578 -0.992 1.00 2.02 H new ATOM 0 HD21 LEU A 12 73.268 -7.757 1.804 1.00 1.49 H new ATOM 0 HD22 LEU A 12 72.626 -8.644 0.401 1.00 1.49 H new ATOM 0 HD23 LEU A 12 74.048 -9.265 1.272 1.00 1.49 H new ATOM 193 N THR A 13 75.368 -11.716 -1.862 1.00 0.93 N ATOM 194 CA THR A 13 75.566 -12.700 -2.966 1.00 0.93 C ATOM 195 C THR A 13 74.531 -12.472 -4.070 1.00 0.88 C ATOM 196 O THR A 13 73.618 -11.682 -3.925 1.00 0.86 O ATOM 197 CB THR A 13 75.364 -14.070 -2.316 1.00 1.03 C ATOM 198 OG1 THR A 13 74.343 -13.979 -1.331 1.00 1.13 O ATOM 199 CG2 THR A 13 76.669 -14.526 -1.662 1.00 1.20 C ATOM 0 H THR A 13 74.768 -12.032 -1.100 1.00 0.93 H new ATOM 0 HA THR A 13 76.549 -12.609 -3.429 1.00 0.93 H new ATOM 0 HB THR A 13 75.072 -14.794 -3.077 1.00 1.03 H new ATOM 0 HG1 THR A 13 74.211 -14.856 -0.915 1.00 1.13 H new ATOM 0 HG21 THR A 13 76.523 -15.502 -1.200 1.00 1.20 H new ATOM 0 HG22 THR A 13 77.450 -14.597 -2.419 1.00 1.20 H new ATOM 0 HG23 THR A 13 76.966 -13.805 -0.901 1.00 1.20 H new ATOM 207 N GLU A 14 74.664 -13.158 -5.172 1.00 0.88 N ATOM 208 CA GLU A 14 73.687 -12.980 -6.285 1.00 0.87 C ATOM 209 C GLU A 14 72.308 -13.498 -5.866 1.00 0.82 C ATOM 210 O GLU A 14 71.292 -12.914 -6.185 1.00 0.79 O ATOM 211 CB GLU A 14 74.244 -13.816 -7.438 1.00 0.99 C ATOM 212 CG GLU A 14 73.852 -13.172 -8.770 1.00 1.98 C ATOM 213 CD GLU A 14 74.401 -11.745 -8.827 1.00 2.36 C ATOM 214 OE1 GLU A 14 75.290 -11.442 -8.049 1.00 2.36 O ATOM 215 OE2 GLU A 14 73.922 -10.981 -9.648 1.00 3.17 O ATOM 0 H GLU A 14 75.407 -13.834 -5.350 1.00 0.88 H new ATOM 0 HA GLU A 14 73.563 -11.933 -6.562 1.00 0.87 H new ATOM 0 HB2 GLU A 14 75.329 -13.885 -7.360 1.00 0.99 H new ATOM 0 HB3 GLU A 14 73.855 -14.833 -7.385 1.00 0.99 H new ATOM 0 HG2 GLU A 14 74.247 -13.758 -9.600 1.00 1.98 H new ATOM 0 HG3 GLU A 14 72.767 -13.160 -8.875 1.00 1.98 H new ATOM 222 N GLU A 15 72.266 -14.590 -5.153 1.00 0.85 N ATOM 223 CA GLU A 15 70.954 -15.145 -4.715 1.00 0.84 C ATOM 224 C GLU A 15 70.170 -14.090 -3.928 1.00 0.76 C ATOM 225 O GLU A 15 68.958 -14.033 -3.985 1.00 0.70 O ATOM 226 CB GLU A 15 71.305 -16.333 -3.818 1.00 0.92 C ATOM 227 CG GLU A 15 70.221 -17.406 -3.943 1.00 1.49 C ATOM 228 CD GLU A 15 70.861 -18.735 -4.348 1.00 1.88 C ATOM 229 OE1 GLU A 15 71.966 -18.997 -3.903 1.00 2.07 O ATOM 230 OE2 GLU A 15 70.235 -19.467 -5.097 1.00 2.62 O ATOM 0 H GLU A 15 73.084 -15.122 -4.855 1.00 0.85 H new ATOM 0 HA GLU A 15 70.329 -15.442 -5.557 1.00 0.84 H new ATOM 0 HB2 GLU A 15 72.273 -16.744 -4.104 1.00 0.92 H new ATOM 0 HB3 GLU A 15 71.391 -16.007 -2.782 1.00 0.92 H new ATOM 0 HG2 GLU A 15 69.695 -17.518 -2.995 1.00 1.49 H new ATOM 0 HG3 GLU A 15 69.481 -17.106 -4.685 1.00 1.49 H new ATOM 237 N GLN A 16 70.854 -13.256 -3.194 1.00 0.79 N ATOM 238 CA GLN A 16 70.147 -12.205 -2.405 1.00 0.74 C ATOM 239 C GLN A 16 69.855 -10.989 -3.288 1.00 0.68 C ATOM 240 O GLN A 16 68.746 -10.492 -3.331 1.00 0.67 O ATOM 241 CB GLN A 16 71.117 -11.832 -1.283 1.00 0.79 C ATOM 242 CG GLN A 16 70.970 -12.825 -0.129 1.00 0.88 C ATOM 243 CD GLN A 16 70.180 -12.173 1.007 1.00 1.70 C ATOM 244 OE1 GLN A 16 69.270 -12.769 1.549 1.00 2.53 O ATOM 245 NE2 GLN A 16 70.493 -10.967 1.392 1.00 2.20 N ATOM 0 H GLN A 16 71.870 -13.256 -3.106 1.00 0.79 H new ATOM 0 HA GLN A 16 69.190 -12.553 -2.017 1.00 0.74 H new ATOM 0 HB2 GLN A 16 72.141 -11.841 -1.656 1.00 0.79 H new ATOM 0 HB3 GLN A 16 70.913 -10.820 -0.934 1.00 0.79 H new ATOM 0 HG2 GLN A 16 70.459 -13.725 -0.472 1.00 0.88 H new ATOM 0 HG3 GLN A 16 71.953 -13.133 0.227 1.00 0.88 H new ATOM 0 HE21 GLN A 16 71.257 -10.468 0.936 1.00 2.20 H new ATOM 0 HE22 GLN A 16 69.974 -10.522 2.149 1.00 2.20 H new ATOM 254 N LYS A 17 70.841 -10.507 -3.994 1.00 0.69 N ATOM 255 CA LYS A 17 70.620 -9.324 -4.873 1.00 0.68 C ATOM 256 C LYS A 17 69.335 -9.499 -5.686 1.00 0.62 C ATOM 257 O LYS A 17 68.708 -8.540 -6.089 1.00 0.57 O ATOM 258 CB LYS A 17 71.837 -9.285 -5.798 1.00 0.79 C ATOM 259 CG LYS A 17 73.106 -9.102 -4.963 1.00 1.01 C ATOM 260 CD LYS A 17 73.483 -7.619 -4.928 1.00 1.53 C ATOM 261 CE LYS A 17 74.828 -7.418 -5.628 1.00 1.70 C ATOM 262 NZ LYS A 17 74.568 -6.389 -6.674 1.00 2.33 N ATOM 0 H LYS A 17 71.790 -10.881 -4.000 1.00 0.69 H new ATOM 0 HA LYS A 17 70.511 -8.402 -4.302 1.00 0.68 H new ATOM 0 HB2 LYS A 17 71.898 -10.208 -6.375 1.00 0.79 H new ATOM 0 HB3 LYS A 17 71.738 -8.468 -6.513 1.00 0.79 H new ATOM 0 HG2 LYS A 17 72.944 -9.471 -3.950 1.00 1.01 H new ATOM 0 HG3 LYS A 17 73.922 -9.686 -5.389 1.00 1.01 H new ATOM 0 HD2 LYS A 17 72.713 -7.025 -5.420 1.00 1.53 H new ATOM 0 HD3 LYS A 17 73.542 -7.272 -3.896 1.00 1.53 H new ATOM 0 HE2 LYS A 17 75.592 -7.083 -4.926 1.00 1.70 H new ATOM 0 HE3 LYS A 17 75.186 -8.348 -6.070 1.00 1.70 H new ATOM 0 HZ1 LYS A 17 75.446 -6.197 -7.198 1.00 2.33 H new ATOM 0 HZ2 LYS A 17 73.842 -6.738 -7.331 1.00 2.33 H new ATOM 0 HZ3 LYS A 17 74.235 -5.513 -6.224 1.00 2.33 H new ATOM 276 N ASN A 18 68.940 -10.718 -5.932 1.00 0.65 N ATOM 277 CA ASN A 18 67.696 -10.953 -6.722 1.00 0.64 C ATOM 278 C ASN A 18 66.460 -10.660 -5.865 1.00 0.58 C ATOM 279 O ASN A 18 65.568 -9.943 -6.271 1.00 0.56 O ATOM 280 CB ASN A 18 67.743 -12.432 -7.105 1.00 0.73 C ATOM 281 CG ASN A 18 68.609 -12.608 -8.354 1.00 0.91 C ATOM 282 OD1 ASN A 18 69.308 -11.700 -8.756 1.00 1.55 O ATOM 283 ND2 ASN A 18 68.592 -13.748 -8.988 1.00 1.35 N ATOM 0 H ASN A 18 69.423 -11.561 -5.621 1.00 0.65 H new ATOM 0 HA ASN A 18 67.636 -10.306 -7.597 1.00 0.64 H new ATOM 0 HB2 ASN A 18 68.150 -13.019 -6.282 1.00 0.73 H new ATOM 0 HB3 ASN A 18 66.735 -12.802 -7.293 1.00 0.73 H new ATOM 0 HD21 ASN A 18 69.166 -13.877 -9.821 1.00 1.35 H new ATOM 0 HD22 ASN A 18 68.005 -14.511 -8.650 1.00 1.35 H new ATOM 290 N GLU A 19 66.402 -11.209 -4.683 1.00 0.62 N ATOM 291 CA GLU A 19 65.224 -10.962 -3.803 1.00 0.64 C ATOM 292 C GLU A 19 64.958 -9.459 -3.679 1.00 0.58 C ATOM 293 O GLU A 19 63.829 -9.014 -3.712 1.00 0.61 O ATOM 294 CB GLU A 19 65.612 -11.553 -2.447 1.00 0.75 C ATOM 295 CG GLU A 19 64.631 -12.669 -2.076 1.00 1.47 C ATOM 296 CD GLU A 19 64.901 -13.896 -2.948 1.00 2.01 C ATOM 297 OE1 GLU A 19 65.223 -13.713 -4.111 1.00 2.50 O ATOM 298 OE2 GLU A 19 64.781 -14.998 -2.438 1.00 2.64 O ATOM 0 H GLU A 19 67.119 -11.818 -4.288 1.00 0.62 H new ATOM 0 HA GLU A 19 64.313 -11.412 -4.198 1.00 0.64 H new ATOM 0 HB2 GLU A 19 66.628 -11.946 -2.487 1.00 0.75 H new ATOM 0 HB3 GLU A 19 65.601 -10.776 -1.683 1.00 0.75 H new ATOM 0 HG2 GLU A 19 64.739 -12.927 -1.023 1.00 1.47 H new ATOM 0 HG3 GLU A 19 63.605 -12.328 -2.217 1.00 1.47 H new ATOM 305 N PHE A 20 65.991 -8.674 -3.536 1.00 0.58 N ATOM 306 CA PHE A 20 65.795 -7.200 -3.409 1.00 0.59 C ATOM 307 C PHE A 20 65.544 -6.576 -4.784 1.00 0.53 C ATOM 308 O PHE A 20 64.939 -5.528 -4.899 1.00 0.54 O ATOM 309 CB PHE A 20 67.103 -6.677 -2.815 1.00 0.67 C ATOM 310 CG PHE A 20 66.911 -6.400 -1.344 1.00 1.04 C ATOM 311 CD1 PHE A 20 65.784 -5.695 -0.907 1.00 1.85 C ATOM 312 CD2 PHE A 20 67.860 -6.847 -0.418 1.00 1.87 C ATOM 313 CE1 PHE A 20 65.605 -5.437 0.457 1.00 2.52 C ATOM 314 CE2 PHE A 20 67.681 -6.591 0.947 1.00 2.57 C ATOM 315 CZ PHE A 20 66.553 -5.885 1.384 1.00 2.67 C ATOM 0 H PHE A 20 66.961 -8.988 -3.502 1.00 0.58 H new ATOM 0 HA PHE A 20 64.935 -6.951 -2.787 1.00 0.59 H new ATOM 0 HB2 PHE A 20 67.898 -7.409 -2.958 1.00 0.67 H new ATOM 0 HB3 PHE A 20 67.411 -5.767 -3.330 1.00 0.67 H new ATOM 0 HD1 PHE A 20 65.052 -5.350 -1.622 1.00 1.85 H new ATOM 0 HD2 PHE A 20 68.731 -7.389 -0.756 1.00 1.87 H new ATOM 0 HE1 PHE A 20 64.735 -4.892 0.794 1.00 2.52 H new ATOM 0 HE2 PHE A 20 68.412 -6.938 1.662 1.00 2.57 H new ATOM 0 HZ PHE A 20 66.415 -5.686 2.437 1.00 2.67 H new ATOM 325 N LYS A 21 66.004 -7.210 -5.826 1.00 0.53 N ATOM 326 CA LYS A 21 65.793 -6.652 -7.193 1.00 0.53 C ATOM 327 C LYS A 21 64.317 -6.757 -7.589 1.00 0.50 C ATOM 328 O LYS A 21 63.752 -5.846 -8.162 1.00 0.63 O ATOM 329 CB LYS A 21 66.658 -7.517 -8.109 1.00 0.61 C ATOM 330 CG LYS A 21 66.742 -6.873 -9.495 1.00 0.68 C ATOM 331 CD LYS A 21 68.102 -6.191 -9.659 1.00 1.26 C ATOM 332 CE LYS A 21 67.897 -4.694 -9.908 1.00 1.85 C ATOM 333 NZ LYS A 21 69.267 -4.112 -9.893 1.00 1.94 N ATOM 0 H LYS A 21 66.517 -8.091 -5.791 1.00 0.53 H new ATOM 0 HA LYS A 21 66.061 -5.597 -7.254 1.00 0.53 H new ATOM 0 HB2 LYS A 21 67.657 -7.626 -7.686 1.00 0.61 H new ATOM 0 HB3 LYS A 21 66.234 -8.518 -8.187 1.00 0.61 H new ATOM 0 HG2 LYS A 21 66.607 -7.629 -10.268 1.00 0.68 H new ATOM 0 HG3 LYS A 21 65.941 -6.145 -9.618 1.00 0.68 H new ATOM 0 HD2 LYS A 21 68.707 -6.342 -8.765 1.00 1.26 H new ATOM 0 HD3 LYS A 21 68.647 -6.638 -10.491 1.00 1.26 H new ATOM 0 HE2 LYS A 21 67.403 -4.516 -10.863 1.00 1.85 H new ATOM 0 HE3 LYS A 21 67.270 -4.247 -9.137 1.00 1.85 H new ATOM 0 HZ1 LYS A 21 69.285 -3.252 -10.477 1.00 1.94 H new ATOM 0 HZ2 LYS A 21 69.532 -3.873 -8.916 1.00 1.94 H new ATOM 0 HZ3 LYS A 21 69.943 -4.804 -10.275 1.00 1.94 H new ATOM 347 N ALA A 22 63.691 -7.863 -7.292 1.00 0.51 N ATOM 348 CA ALA A 22 62.254 -8.029 -7.656 1.00 0.60 C ATOM 349 C ALA A 22 61.358 -7.274 -6.668 1.00 0.51 C ATOM 350 O ALA A 22 60.159 -7.195 -6.841 1.00 0.50 O ATOM 351 CB ALA A 22 61.996 -9.534 -7.569 1.00 0.76 C ATOM 0 H ALA A 22 64.112 -8.659 -6.813 1.00 0.51 H new ATOM 0 HA ALA A 22 62.034 -7.631 -8.647 1.00 0.60 H new ATOM 0 HB1 ALA A 22 60.956 -9.740 -7.823 1.00 0.76 H new ATOM 0 HB2 ALA A 22 62.651 -10.056 -8.267 1.00 0.76 H new ATOM 0 HB3 ALA A 22 62.197 -9.880 -6.555 1.00 0.76 H new ATOM 357 N ALA A 23 61.929 -6.722 -5.633 1.00 0.51 N ATOM 358 CA ALA A 23 61.104 -5.975 -4.639 1.00 0.47 C ATOM 359 C ALA A 23 61.428 -4.480 -4.698 1.00 0.43 C ATOM 360 O ALA A 23 60.760 -3.666 -4.092 1.00 0.46 O ATOM 361 CB ALA A 23 61.499 -6.555 -3.282 1.00 0.58 C ATOM 0 H ALA A 23 62.928 -6.755 -5.432 1.00 0.51 H new ATOM 0 HA ALA A 23 60.036 -6.076 -4.831 1.00 0.47 H new ATOM 0 HB1 ALA A 23 60.934 -6.056 -2.495 1.00 0.58 H new ATOM 0 HB2 ALA A 23 61.280 -7.623 -3.265 1.00 0.58 H new ATOM 0 HB3 ALA A 23 62.565 -6.401 -3.117 1.00 0.58 H new ATOM 367 N PHE A 24 62.451 -4.114 -5.420 1.00 0.54 N ATOM 368 CA PHE A 24 62.821 -2.672 -5.514 1.00 0.56 C ATOM 369 C PHE A 24 62.404 -2.104 -6.875 1.00 0.56 C ATOM 370 O PHE A 24 61.874 -1.015 -6.966 1.00 0.60 O ATOM 371 CB PHE A 24 64.343 -2.651 -5.360 1.00 0.66 C ATOM 372 CG PHE A 24 64.886 -1.323 -5.829 1.00 0.60 C ATOM 373 CD1 PHE A 24 65.143 -1.115 -7.190 1.00 1.45 C ATOM 374 CD2 PHE A 24 65.136 -0.302 -4.905 1.00 1.24 C ATOM 375 CE1 PHE A 24 65.650 0.115 -7.626 1.00 1.61 C ATOM 376 CE2 PHE A 24 65.644 0.928 -5.341 1.00 1.24 C ATOM 377 CZ PHE A 24 65.901 1.136 -6.702 1.00 0.94 C ATOM 0 H PHE A 24 63.047 -4.750 -5.949 1.00 0.54 H new ATOM 0 HA PHE A 24 62.325 -2.064 -4.757 1.00 0.56 H new ATOM 0 HB2 PHE A 24 64.615 -2.818 -4.318 1.00 0.66 H new ATOM 0 HB3 PHE A 24 64.787 -3.461 -5.939 1.00 0.66 H new ATOM 0 HD1 PHE A 24 64.950 -1.903 -7.903 1.00 1.45 H new ATOM 0 HD2 PHE A 24 64.937 -0.463 -3.856 1.00 1.24 H new ATOM 0 HE1 PHE A 24 65.847 0.276 -8.675 1.00 1.61 H new ATOM 0 HE2 PHE A 24 65.838 1.716 -4.628 1.00 1.24 H new ATOM 0 HZ PHE A 24 66.293 2.084 -7.039 1.00 0.94 H new ATOM 387 N ASP A 25 62.639 -2.832 -7.932 1.00 0.58 N ATOM 388 CA ASP A 25 62.255 -2.329 -9.283 1.00 0.64 C ATOM 389 C ASP A 25 60.738 -2.147 -9.369 1.00 0.66 C ATOM 390 O ASP A 25 60.234 -1.458 -10.235 1.00 0.76 O ATOM 391 CB ASP A 25 62.721 -3.411 -10.256 1.00 0.68 C ATOM 392 CG ASP A 25 63.668 -2.796 -11.290 1.00 1.05 C ATOM 393 OD1 ASP A 25 63.179 -2.161 -12.209 1.00 1.78 O ATOM 394 OD2 ASP A 25 64.867 -2.970 -11.143 1.00 1.58 O ATOM 0 H ASP A 25 63.079 -3.752 -7.920 1.00 0.58 H new ATOM 0 HA ASP A 25 62.703 -1.361 -9.505 1.00 0.64 H new ATOM 0 HB2 ASP A 25 63.227 -4.209 -9.713 1.00 0.68 H new ATOM 0 HB3 ASP A 25 61.862 -3.860 -10.755 1.00 0.68 H new ATOM 399 N ILE A 26 60.004 -2.760 -8.481 1.00 0.61 N ATOM 400 CA ILE A 26 58.520 -2.622 -8.517 1.00 0.67 C ATOM 401 C ILE A 26 58.088 -1.327 -7.825 1.00 0.73 C ATOM 402 O ILE A 26 56.916 -1.013 -7.755 1.00 0.99 O ATOM 403 CB ILE A 26 57.996 -3.834 -7.754 1.00 0.70 C ATOM 404 CG1 ILE A 26 58.510 -5.111 -8.429 1.00 0.66 C ATOM 405 CG2 ILE A 26 56.465 -3.819 -7.769 1.00 0.83 C ATOM 406 CD1 ILE A 26 57.692 -6.311 -7.953 1.00 0.84 C ATOM 0 H ILE A 26 60.367 -3.350 -7.733 1.00 0.61 H new ATOM 0 HA ILE A 26 58.135 -2.579 -9.536 1.00 0.67 H new ATOM 0 HB ILE A 26 58.345 -3.803 -6.722 1.00 0.70 H new ATOM 0 HG12 ILE A 26 58.437 -5.016 -9.512 1.00 0.66 H new ATOM 0 HG13 ILE A 26 59.564 -5.260 -8.192 1.00 0.66 H new ATOM 0 HG21 ILE A 26 56.087 -4.684 -7.224 1.00 0.83 H new ATOM 0 HG22 ILE A 26 56.105 -2.906 -7.294 1.00 0.83 H new ATOM 0 HG23 ILE A 26 56.111 -3.856 -8.799 1.00 0.83 H new ATOM 0 HD11 ILE A 26 58.060 -7.217 -8.435 1.00 0.84 H new ATOM 0 HD12 ILE A 26 57.788 -6.411 -6.872 1.00 0.84 H new ATOM 0 HD13 ILE A 26 56.644 -6.163 -8.212 1.00 0.84 H new ATOM 418 N PHE A 27 59.022 -0.573 -7.315 1.00 0.57 N ATOM 419 CA PHE A 27 58.659 0.698 -6.627 1.00 0.63 C ATOM 420 C PHE A 27 59.574 1.836 -7.091 1.00 0.59 C ATOM 421 O PHE A 27 59.785 2.801 -6.384 1.00 0.67 O ATOM 422 CB PHE A 27 58.867 0.416 -5.139 1.00 0.70 C ATOM 423 CG PHE A 27 57.681 -0.348 -4.600 1.00 0.67 C ATOM 424 CD1 PHE A 27 57.562 -1.721 -4.848 1.00 1.44 C ATOM 425 CD2 PHE A 27 56.703 0.314 -3.848 1.00 1.17 C ATOM 426 CE1 PHE A 27 56.464 -2.431 -4.346 1.00 1.65 C ATOM 427 CE2 PHE A 27 55.605 -0.395 -3.347 1.00 1.20 C ATOM 428 CZ PHE A 27 55.485 -1.768 -3.595 1.00 1.09 C ATOM 0 H PHE A 27 60.020 -0.782 -7.345 1.00 0.57 H new ATOM 0 HA PHE A 27 57.637 1.006 -6.846 1.00 0.63 H new ATOM 0 HB2 PHE A 27 59.781 -0.159 -4.991 1.00 0.70 H new ATOM 0 HB3 PHE A 27 58.988 1.352 -4.594 1.00 0.70 H new ATOM 0 HD1 PHE A 27 58.317 -2.233 -5.426 1.00 1.44 H new ATOM 0 HD2 PHE A 27 56.796 1.372 -3.654 1.00 1.17 H new ATOM 0 HE1 PHE A 27 56.372 -3.490 -4.538 1.00 1.65 H new ATOM 0 HE2 PHE A 27 54.850 0.117 -2.769 1.00 1.20 H new ATOM 0 HZ PHE A 27 54.638 -2.315 -3.208 1.00 1.09 H new ATOM 438 N VAL A 28 60.119 1.731 -8.273 1.00 0.58 N ATOM 439 CA VAL A 28 61.020 2.810 -8.776 1.00 0.59 C ATOM 440 C VAL A 28 60.196 4.015 -9.235 1.00 0.64 C ATOM 441 O VAL A 28 60.730 5.014 -9.674 1.00 0.73 O ATOM 442 CB VAL A 28 61.778 2.178 -9.950 1.00 0.60 C ATOM 443 CG1 VAL A 28 62.250 3.267 -10.919 1.00 1.41 C ATOM 444 CG2 VAL A 28 62.992 1.416 -9.415 1.00 1.37 C ATOM 0 H VAL A 28 59.980 0.947 -8.911 1.00 0.58 H new ATOM 0 HA VAL A 28 61.702 3.176 -8.009 1.00 0.59 H new ATOM 0 HB VAL A 28 61.113 1.494 -10.478 1.00 0.60 H new ATOM 0 HG11 VAL A 28 62.787 2.808 -11.749 1.00 1.41 H new ATOM 0 HG12 VAL A 28 61.387 3.812 -11.302 1.00 1.41 H new ATOM 0 HG13 VAL A 28 62.912 3.957 -10.396 1.00 1.41 H new ATOM 0 HG21 VAL A 28 63.534 0.965 -10.246 1.00 1.37 H new ATOM 0 HG22 VAL A 28 63.649 2.105 -8.885 1.00 1.37 H new ATOM 0 HG23 VAL A 28 62.659 0.634 -8.732 1.00 1.37 H new ATOM 454 N LEU A 29 58.903 3.922 -9.131 1.00 0.75 N ATOM 455 CA LEU A 29 58.029 5.054 -9.556 1.00 0.91 C ATOM 456 C LEU A 29 58.570 5.703 -10.834 1.00 1.10 C ATOM 457 O LEU A 29 59.319 6.658 -10.787 1.00 1.54 O ATOM 458 CB LEU A 29 58.068 6.043 -8.392 1.00 1.17 C ATOM 459 CG LEU A 29 56.754 5.967 -7.615 1.00 1.49 C ATOM 460 CD1 LEU A 29 55.621 6.542 -8.468 1.00 2.09 C ATOM 461 CD2 LEU A 29 56.445 4.505 -7.282 1.00 1.73 C ATOM 0 H LEU A 29 58.408 3.107 -8.768 1.00 0.75 H new ATOM 0 HA LEU A 29 57.014 4.725 -9.780 1.00 0.91 H new ATOM 0 HB2 LEU A 29 58.906 5.814 -7.734 1.00 1.17 H new ATOM 0 HB3 LEU A 29 58.224 7.055 -8.766 1.00 1.17 H new ATOM 0 HG LEU A 29 56.844 6.542 -6.693 1.00 1.49 H new ATOM 0 HD11 LEU A 29 54.684 6.487 -7.913 1.00 2.09 H new ATOM 0 HD12 LEU A 29 55.839 7.582 -8.710 1.00 2.09 H new ATOM 0 HD13 LEU A 29 55.531 5.966 -9.389 1.00 2.09 H new ATOM 0 HD21 LEU A 29 55.508 4.448 -6.728 1.00 1.73 H new ATOM 0 HD22 LEU A 29 56.356 3.933 -8.205 1.00 1.73 H new ATOM 0 HD23 LEU A 29 57.251 4.092 -6.676 1.00 1.73 H new ATOM 473 N GLY A 30 58.195 5.192 -11.975 1.00 1.47 N ATOM 474 CA GLY A 30 58.688 5.782 -13.253 1.00 1.89 C ATOM 475 C GLY A 30 60.185 6.070 -13.141 1.00 1.94 C ATOM 476 O GLY A 30 60.975 5.194 -12.851 1.00 2.46 O ATOM 0 H GLY A 30 57.570 4.393 -12.078 1.00 1.47 H new ATOM 0 HA2 GLY A 30 58.500 5.095 -14.078 1.00 1.89 H new ATOM 0 HA3 GLY A 30 58.146 6.702 -13.474 1.00 1.89 H new ATOM 480 N ALA A 31 60.583 7.291 -13.370 1.00 1.89 N ATOM 481 CA ALA A 31 62.031 7.633 -13.278 1.00 2.14 C ATOM 482 C ALA A 31 62.836 6.796 -14.275 1.00 2.28 C ATOM 483 O ALA A 31 62.508 5.659 -14.554 1.00 2.46 O ATOM 484 CB ALA A 31 62.429 7.287 -11.842 1.00 1.97 C ATOM 0 H ALA A 31 59.969 8.067 -13.617 1.00 1.89 H new ATOM 0 HA ALA A 31 62.224 8.680 -13.514 1.00 2.14 H new ATOM 0 HB1 ALA A 31 63.485 7.511 -11.693 1.00 1.97 H new ATOM 0 HB2 ALA A 31 61.832 7.877 -11.147 1.00 1.97 H new ATOM 0 HB3 ALA A 31 62.254 6.226 -11.661 1.00 1.97 H new ATOM 490 N GLU A 32 63.887 7.348 -14.814 1.00 2.73 N ATOM 491 CA GLU A 32 64.712 6.584 -15.794 1.00 2.98 C ATOM 492 C GLU A 32 66.074 6.243 -15.187 1.00 2.33 C ATOM 493 O GLU A 32 67.105 6.453 -15.795 1.00 2.34 O ATOM 494 CB GLU A 32 64.877 7.521 -16.986 1.00 3.71 C ATOM 495 CG GLU A 32 65.563 8.811 -16.530 1.00 4.48 C ATOM 496 CD GLU A 32 64.680 10.010 -16.879 1.00 5.14 C ATOM 497 OE1 GLU A 32 64.268 10.104 -18.024 1.00 5.71 O ATOM 498 OE2 GLU A 32 64.431 10.814 -15.996 1.00 5.38 O ATOM 0 H GLU A 32 64.211 8.295 -14.619 1.00 2.73 H new ATOM 0 HA GLU A 32 64.247 5.640 -16.078 1.00 2.98 H new ATOM 0 HB2 GLU A 32 65.468 7.037 -17.763 1.00 3.71 H new ATOM 0 HB3 GLU A 32 63.904 7.748 -17.421 1.00 3.71 H new ATOM 0 HG2 GLU A 32 65.743 8.779 -15.455 1.00 4.48 H new ATOM 0 HG3 GLU A 32 66.535 8.909 -17.013 1.00 4.48 H new ATOM 505 N ASP A 33 66.085 5.720 -13.995 1.00 2.13 N ATOM 506 CA ASP A 33 67.381 5.366 -13.348 1.00 2.25 C ATOM 507 C ASP A 33 67.182 4.223 -12.349 1.00 1.67 C ATOM 508 O ASP A 33 67.970 4.033 -11.444 1.00 2.00 O ATOM 509 CB ASP A 33 67.824 6.638 -12.624 1.00 3.20 C ATOM 510 CG ASP A 33 69.349 6.658 -12.512 1.00 3.87 C ATOM 511 OD1 ASP A 33 69.986 5.914 -13.241 1.00 4.16 O ATOM 512 OD2 ASP A 33 69.854 7.417 -11.702 1.00 4.49 O ATOM 0 H ASP A 33 65.253 5.521 -13.439 1.00 2.13 H new ATOM 0 HA ASP A 33 68.123 5.029 -14.072 1.00 2.25 H new ATOM 0 HB2 ASP A 33 67.477 7.517 -13.167 1.00 3.20 H new ATOM 0 HB3 ASP A 33 67.376 6.679 -11.631 1.00 3.20 H new ATOM 517 N GLY A 34 66.134 3.461 -12.505 1.00 1.10 N ATOM 518 CA GLY A 34 65.888 2.333 -11.562 1.00 1.18 C ATOM 519 C GLY A 34 66.006 2.837 -10.123 1.00 0.92 C ATOM 520 O GLY A 34 66.548 2.170 -9.264 1.00 1.03 O ATOM 0 H GLY A 34 65.439 3.570 -13.243 1.00 1.10 H new ATOM 0 HA2 GLY A 34 64.897 1.913 -11.731 1.00 1.18 H new ATOM 0 HA3 GLY A 34 66.607 1.534 -11.739 1.00 1.18 H new ATOM 524 N CYS A 35 65.504 4.011 -9.853 1.00 0.78 N ATOM 525 CA CYS A 35 65.589 4.558 -8.468 1.00 0.68 C ATOM 526 C CYS A 35 64.187 4.685 -7.865 1.00 0.69 C ATOM 527 O CYS A 35 63.219 4.911 -8.564 1.00 0.89 O ATOM 528 CB CYS A 35 66.232 5.936 -8.626 1.00 0.78 C ATOM 529 SG CYS A 35 67.998 5.740 -8.972 1.00 1.27 S ATOM 0 H CYS A 35 65.039 4.615 -10.531 1.00 0.78 H new ATOM 0 HA CYS A 35 66.164 3.914 -7.803 1.00 0.68 H new ATOM 0 HB2 CYS A 35 65.750 6.483 -9.436 1.00 0.78 H new ATOM 0 HB3 CYS A 35 66.091 6.522 -7.717 1.00 0.78 H new ATOM 0 HG CYS A 35 68.160 4.859 -9.914 1.00 1.27 H new ATOM 535 N ILE A 36 64.069 4.539 -6.573 1.00 0.57 N ATOM 536 CA ILE A 36 62.728 4.649 -5.932 1.00 0.57 C ATOM 537 C ILE A 36 62.648 5.919 -5.081 1.00 0.50 C ATOM 538 O ILE A 36 63.650 6.515 -4.741 1.00 0.60 O ATOM 539 CB ILE A 36 62.608 3.406 -5.052 1.00 0.63 C ATOM 540 CG1 ILE A 36 63.668 3.454 -3.949 1.00 0.60 C ATOM 541 CG2 ILE A 36 62.821 2.154 -5.906 1.00 0.72 C ATOM 542 CD1 ILE A 36 63.519 2.230 -3.044 1.00 0.75 C ATOM 0 H ILE A 36 64.842 4.349 -5.935 1.00 0.57 H new ATOM 0 HA ILE A 36 61.924 4.709 -6.666 1.00 0.57 H new ATOM 0 HB ILE A 36 61.616 3.377 -4.601 1.00 0.63 H new ATOM 0 HG12 ILE A 36 64.665 3.475 -4.389 1.00 0.60 H new ATOM 0 HG13 ILE A 36 63.558 4.367 -3.364 1.00 0.60 H new ATOM 0 HG21 ILE A 36 62.736 1.267 -5.279 1.00 0.72 H new ATOM 0 HG22 ILE A 36 62.066 2.117 -6.692 1.00 0.72 H new ATOM 0 HG23 ILE A 36 63.813 2.185 -6.357 1.00 0.72 H new ATOM 0 HD11 ILE A 36 64.274 2.264 -2.259 1.00 0.75 H new ATOM 0 HD12 ILE A 36 62.526 2.229 -2.594 1.00 0.75 H new ATOM 0 HD13 ILE A 36 63.650 1.323 -3.634 1.00 0.75 H new ATOM 554 N SER A 37 61.460 6.338 -4.734 1.00 0.54 N ATOM 555 CA SER A 37 61.316 7.568 -3.904 1.00 0.50 C ATOM 556 C SER A 37 61.487 7.224 -2.422 1.00 0.48 C ATOM 557 O SER A 37 60.884 6.299 -1.916 1.00 0.60 O ATOM 558 CB SER A 37 59.900 8.073 -4.185 1.00 0.55 C ATOM 559 OG SER A 37 59.125 8.010 -2.994 1.00 1.02 O ATOM 0 H SER A 37 60.584 5.882 -4.989 1.00 0.54 H new ATOM 0 HA SER A 37 62.067 8.321 -4.142 1.00 0.50 H new ATOM 0 HB2 SER A 37 59.935 9.098 -4.554 1.00 0.55 H new ATOM 0 HB3 SER A 37 59.436 7.469 -4.965 1.00 0.55 H new ATOM 0 HG SER A 37 58.219 8.335 -3.176 1.00 1.02 H new ATOM 565 N THR A 38 62.305 7.960 -1.723 1.00 0.48 N ATOM 566 CA THR A 38 62.516 7.674 -0.275 1.00 0.53 C ATOM 567 C THR A 38 61.176 7.398 0.415 1.00 0.53 C ATOM 568 O THR A 38 61.079 6.567 1.295 1.00 0.59 O ATOM 569 CB THR A 38 63.158 8.942 0.287 1.00 0.64 C ATOM 570 OG1 THR A 38 62.264 10.034 0.126 1.00 0.62 O ATOM 571 CG2 THR A 38 64.461 9.232 -0.461 1.00 0.85 C ATOM 0 H THR A 38 62.837 8.748 -2.091 1.00 0.48 H new ATOM 0 HA THR A 38 63.139 6.794 -0.115 1.00 0.53 H new ATOM 0 HB THR A 38 63.374 8.802 1.346 1.00 0.64 H new ATOM 0 HG1 THR A 38 62.673 10.848 0.487 1.00 0.62 H new ATOM 0 HG21 THR A 38 64.918 10.136 -0.059 1.00 0.85 H new ATOM 0 HG22 THR A 38 65.146 8.394 -0.337 1.00 0.85 H new ATOM 0 HG23 THR A 38 64.249 9.373 -1.521 1.00 0.85 H new ATOM 579 N LYS A 39 60.142 8.093 0.024 1.00 0.60 N ATOM 580 CA LYS A 39 58.811 7.873 0.660 1.00 0.73 C ATOM 581 C LYS A 39 58.294 6.467 0.342 1.00 0.66 C ATOM 582 O LYS A 39 57.326 6.006 0.916 1.00 0.87 O ATOM 583 CB LYS A 39 57.898 8.933 0.042 1.00 0.90 C ATOM 584 CG LYS A 39 58.278 10.312 0.585 1.00 1.78 C ATOM 585 CD LYS A 39 58.241 11.336 -0.552 1.00 2.12 C ATOM 586 CE LYS A 39 59.634 11.465 -1.173 1.00 2.70 C ATOM 587 NZ LYS A 39 59.554 12.670 -2.045 1.00 2.96 N ATOM 0 H LYS A 39 60.161 8.803 -0.708 1.00 0.60 H new ATOM 0 HA LYS A 39 58.855 7.954 1.746 1.00 0.73 H new ATOM 0 HB2 LYS A 39 57.991 8.920 -1.044 1.00 0.90 H new ATOM 0 HB3 LYS A 39 56.856 8.712 0.276 1.00 0.90 H new ATOM 0 HG2 LYS A 39 57.588 10.606 1.376 1.00 1.78 H new ATOM 0 HG3 LYS A 39 59.274 10.279 1.027 1.00 1.78 H new ATOM 0 HD2 LYS A 39 57.521 11.027 -1.310 1.00 2.12 H new ATOM 0 HD3 LYS A 39 57.910 12.303 -0.173 1.00 2.12 H new ATOM 0 HE2 LYS A 39 60.399 11.582 -0.406 1.00 2.70 H new ATOM 0 HE3 LYS A 39 59.894 10.577 -1.749 1.00 2.70 H new ATOM 0 HZ1 LYS A 39 60.473 12.826 -2.507 1.00 2.96 H new ATOM 0 HZ2 LYS A 39 58.822 12.526 -2.769 1.00 2.96 H new ATOM 0 HZ3 LYS A 39 59.312 13.501 -1.468 1.00 2.96 H new ATOM 601 N GLU A 40 58.929 5.783 -0.571 1.00 0.52 N ATOM 602 CA GLU A 40 58.472 4.408 -0.926 1.00 0.56 C ATOM 603 C GLU A 40 59.361 3.363 -0.246 1.00 0.52 C ATOM 604 O GLU A 40 58.899 2.323 0.182 1.00 0.59 O ATOM 605 CB GLU A 40 58.616 4.326 -2.445 1.00 0.71 C ATOM 606 CG GLU A 40 57.552 5.203 -3.108 1.00 1.06 C ATOM 607 CD GLU A 40 56.191 4.508 -3.023 1.00 1.41 C ATOM 608 OE1 GLU A 40 56.053 3.616 -2.202 1.00 2.23 O ATOM 609 OE2 GLU A 40 55.310 4.880 -3.780 1.00 1.60 O ATOM 0 H GLU A 40 59.744 6.116 -1.086 1.00 0.52 H new ATOM 0 HA GLU A 40 57.450 4.215 -0.601 1.00 0.56 H new ATOM 0 HB2 GLU A 40 59.611 4.655 -2.745 1.00 0.71 H new ATOM 0 HB3 GLU A 40 58.508 3.293 -2.776 1.00 0.71 H new ATOM 0 HG2 GLU A 40 57.508 6.174 -2.615 1.00 1.06 H new ATOM 0 HG3 GLU A 40 57.814 5.386 -4.150 1.00 1.06 H new ATOM 616 N LEU A 41 60.634 3.632 -0.141 1.00 0.51 N ATOM 617 CA LEU A 41 61.553 2.655 0.511 1.00 0.54 C ATOM 618 C LEU A 41 60.910 2.088 1.780 1.00 0.56 C ATOM 619 O LEU A 41 61.025 0.916 2.076 1.00 0.70 O ATOM 620 CB LEU A 41 62.804 3.463 0.859 1.00 0.62 C ATOM 621 CG LEU A 41 64.014 2.530 0.940 1.00 0.64 C ATOM 622 CD1 LEU A 41 65.183 3.266 1.597 1.00 1.18 C ATOM 623 CD2 LEU A 41 63.656 1.298 1.777 1.00 1.40 C ATOM 0 H LEU A 41 61.078 4.486 -0.479 1.00 0.51 H new ATOM 0 HA LEU A 41 61.780 1.807 -0.135 1.00 0.54 H new ATOM 0 HB2 LEU A 41 62.974 4.231 0.104 1.00 0.62 H new ATOM 0 HB3 LEU A 41 62.664 3.977 1.810 1.00 0.62 H new ATOM 0 HG LEU A 41 64.297 2.218 -0.065 1.00 0.64 H new ATOM 0 HD11 LEU A 41 66.045 2.601 1.655 1.00 1.18 H new ATOM 0 HD12 LEU A 41 65.440 4.143 1.004 1.00 1.18 H new ATOM 0 HD13 LEU A 41 64.898 3.578 2.602 1.00 1.18 H new ATOM 0 HD21 LEU A 41 64.518 0.634 1.834 1.00 1.40 H new ATOM 0 HD22 LEU A 41 63.372 1.611 2.782 1.00 1.40 H new ATOM 0 HD23 LEU A 41 62.823 0.771 1.311 1.00 1.40 H new ATOM 635 N GLY A 42 60.233 2.913 2.532 1.00 0.57 N ATOM 636 CA GLY A 42 59.582 2.420 3.780 1.00 0.60 C ATOM 637 C GLY A 42 58.807 1.136 3.481 1.00 0.55 C ATOM 638 O GLY A 42 59.146 0.070 3.954 1.00 0.57 O ATOM 0 H GLY A 42 60.103 3.906 2.337 1.00 0.57 H new ATOM 0 HA2 GLY A 42 60.335 2.232 4.545 1.00 0.60 H new ATOM 0 HA3 GLY A 42 58.908 3.180 4.175 1.00 0.60 H new ATOM 642 N LYS A 43 57.767 1.231 2.699 1.00 0.57 N ATOM 643 CA LYS A 43 56.969 0.014 2.370 1.00 0.58 C ATOM 644 C LYS A 43 57.892 -1.104 1.874 1.00 0.56 C ATOM 645 O LYS A 43 57.660 -2.270 2.124 1.00 0.60 O ATOM 646 CB LYS A 43 56.016 0.456 1.259 1.00 0.65 C ATOM 647 CG LYS A 43 54.746 1.041 1.880 1.00 0.99 C ATOM 648 CD LYS A 43 54.157 2.095 0.940 1.00 1.28 C ATOM 649 CE LYS A 43 52.630 2.080 1.048 1.00 1.53 C ATOM 650 NZ LYS A 43 52.339 2.489 2.450 1.00 1.86 N ATOM 0 H LYS A 43 57.435 2.097 2.274 1.00 0.57 H new ATOM 0 HA LYS A 43 56.433 -0.377 3.235 1.00 0.58 H new ATOM 0 HB2 LYS A 43 56.499 1.199 0.625 1.00 0.65 H new ATOM 0 HB3 LYS A 43 55.765 -0.392 0.622 1.00 0.65 H new ATOM 0 HG2 LYS A 43 54.018 0.250 2.058 1.00 0.99 H new ATOM 0 HG3 LYS A 43 54.974 1.488 2.848 1.00 0.99 H new ATOM 0 HD2 LYS A 43 54.541 3.082 1.198 1.00 1.28 H new ATOM 0 HD3 LYS A 43 54.461 1.893 -0.087 1.00 1.28 H new ATOM 0 HE2 LYS A 43 52.177 2.768 0.334 1.00 1.53 H new ATOM 0 HE3 LYS A 43 52.229 1.089 0.835 1.00 1.53 H new ATOM 0 HZ1 LYS A 43 51.353 2.813 2.520 1.00 1.86 H new ATOM 0 HZ2 LYS A 43 52.483 1.678 3.085 1.00 1.86 H new ATOM 0 HZ3 LYS A 43 52.977 3.262 2.726 1.00 1.86 H new ATOM 664 N VAL A 44 58.937 -0.756 1.175 1.00 0.54 N ATOM 665 CA VAL A 44 59.875 -1.798 0.664 1.00 0.56 C ATOM 666 C VAL A 44 60.598 -2.472 1.836 1.00 0.59 C ATOM 667 O VAL A 44 60.894 -3.650 1.800 1.00 0.57 O ATOM 668 CB VAL A 44 60.860 -1.036 -0.229 1.00 0.59 C ATOM 669 CG1 VAL A 44 62.171 -1.817 -0.354 1.00 1.36 C ATOM 670 CG2 VAL A 44 60.245 -0.857 -1.618 1.00 1.36 C ATOM 0 H VAL A 44 59.183 0.204 0.935 1.00 0.54 H new ATOM 0 HA VAL A 44 59.366 -2.590 0.115 1.00 0.56 H new ATOM 0 HB VAL A 44 61.066 -0.063 0.216 1.00 0.59 H new ATOM 0 HG11 VAL A 44 62.863 -1.266 -0.991 1.00 1.36 H new ATOM 0 HG12 VAL A 44 62.612 -1.948 0.634 1.00 1.36 H new ATOM 0 HG13 VAL A 44 61.972 -2.794 -0.794 1.00 1.36 H new ATOM 0 HG21 VAL A 44 60.942 -0.315 -2.257 1.00 1.36 H new ATOM 0 HG22 VAL A 44 60.038 -1.835 -2.053 1.00 1.36 H new ATOM 0 HG23 VAL A 44 59.316 -0.293 -1.535 1.00 1.36 H new ATOM 680 N MET A 45 60.881 -1.736 2.876 1.00 0.74 N ATOM 681 CA MET A 45 61.582 -2.340 4.045 1.00 0.84 C ATOM 682 C MET A 45 60.693 -3.401 4.699 1.00 0.86 C ATOM 683 O MET A 45 61.121 -4.507 4.963 1.00 0.89 O ATOM 684 CB MET A 45 61.826 -1.177 5.006 1.00 0.96 C ATOM 685 CG MET A 45 63.112 -0.449 4.610 1.00 1.12 C ATOM 686 SD MET A 45 64.543 -1.392 5.193 1.00 1.48 S ATOM 687 CE MET A 45 65.778 -0.086 4.978 1.00 0.73 C ATOM 0 H MET A 45 60.658 -0.745 2.967 1.00 0.74 H new ATOM 0 HA MET A 45 62.512 -2.833 3.761 1.00 0.84 H new ATOM 0 HB2 MET A 45 60.982 -0.487 4.981 1.00 0.96 H new ATOM 0 HB3 MET A 45 61.905 -1.547 6.028 1.00 0.96 H new ATOM 0 HG2 MET A 45 63.157 -0.331 3.527 1.00 1.12 H new ATOM 0 HG3 MET A 45 63.123 0.552 5.040 1.00 1.12 H new ATOM 0 HE1 MET A 45 66.738 -0.426 5.366 1.00 0.73 H new ATOM 0 HE2 MET A 45 65.878 0.150 3.918 1.00 0.73 H new ATOM 0 HE3 MET A 45 65.463 0.806 5.520 1.00 0.73 H new ATOM 697 N ARG A 46 59.457 -3.073 4.960 1.00 0.94 N ATOM 698 CA ARG A 46 58.540 -4.064 5.595 1.00 1.04 C ATOM 699 C ARG A 46 58.146 -5.140 4.579 1.00 1.00 C ATOM 700 O ARG A 46 57.571 -6.153 4.926 1.00 1.04 O ATOM 701 CB ARG A 46 57.316 -3.255 6.021 1.00 1.21 C ATOM 702 CG ARG A 46 56.635 -2.666 4.783 1.00 1.04 C ATOM 703 CD ARG A 46 55.153 -2.430 5.080 1.00 1.77 C ATOM 704 NE ARG A 46 54.899 -1.022 4.667 1.00 2.29 N ATOM 705 CZ ARG A 46 55.028 -0.055 5.534 1.00 2.76 C ATOM 706 NH1 ARG A 46 56.126 0.053 6.233 1.00 3.10 N ATOM 707 NH2 ARG A 46 54.061 0.805 5.701 1.00 3.45 N ATOM 0 H ARG A 46 59.042 -2.163 4.761 1.00 0.94 H new ATOM 0 HA ARG A 46 59.002 -4.576 6.439 1.00 1.04 H new ATOM 0 HB2 ARG A 46 56.618 -3.891 6.565 1.00 1.21 H new ATOM 0 HB3 ARG A 46 57.614 -2.456 6.700 1.00 1.21 H new ATOM 0 HG2 ARG A 46 57.115 -1.728 4.503 1.00 1.04 H new ATOM 0 HG3 ARG A 46 56.744 -3.345 3.937 1.00 1.04 H new ATOM 0 HD2 ARG A 46 54.523 -3.125 4.524 1.00 1.77 H new ATOM 0 HD3 ARG A 46 54.934 -2.577 6.137 1.00 1.77 H new ATOM 0 HE ARG A 46 54.624 -0.813 3.707 1.00 2.29 H new ATOM 0 HH11 ARG A 46 56.883 -0.618 6.101 1.00 3.10 H new ATOM 0 HH12 ARG A 46 56.227 0.809 6.911 1.00 3.10 H new ATOM 0 HH21 ARG A 46 53.204 0.722 5.154 1.00 3.45 H new ATOM 0 HH22 ARG A 46 54.162 1.561 6.379 1.00 3.45 H new ATOM 721 N MET A 47 58.450 -4.927 3.328 1.00 0.98 N ATOM 722 CA MET A 47 58.093 -5.936 2.290 1.00 1.04 C ATOM 723 C MET A 47 58.982 -7.175 2.428 1.00 0.99 C ATOM 724 O MET A 47 58.589 -8.274 2.092 1.00 1.07 O ATOM 725 CB MET A 47 58.349 -5.237 0.956 1.00 1.19 C ATOM 726 CG MET A 47 57.024 -5.040 0.217 1.00 1.37 C ATOM 727 SD MET A 47 57.308 -4.067 -1.282 1.00 1.89 S ATOM 728 CE MET A 47 57.700 -5.452 -2.380 1.00 1.30 C ATOM 0 H MET A 47 58.930 -4.098 2.979 1.00 0.98 H new ATOM 0 HA MET A 47 57.061 -6.276 2.381 1.00 1.04 H new ATOM 0 HB2 MET A 47 58.829 -4.273 1.125 1.00 1.19 H new ATOM 0 HB3 MET A 47 59.031 -5.831 0.348 1.00 1.19 H new ATOM 0 HG2 MET A 47 56.592 -6.007 -0.041 1.00 1.37 H new ATOM 0 HG3 MET A 47 56.307 -4.532 0.863 1.00 1.37 H new ATOM 0 HE1 MET A 47 57.913 -5.074 -3.380 1.00 1.30 H new ATOM 0 HE2 MET A 47 58.572 -5.983 -1.999 1.00 1.30 H new ATOM 0 HE3 MET A 47 56.851 -6.134 -2.423 1.00 1.30 H new ATOM 738 N LEU A 48 60.179 -7.005 2.919 1.00 0.93 N ATOM 739 CA LEU A 48 61.092 -8.174 3.077 1.00 0.98 C ATOM 740 C LEU A 48 61.074 -8.666 4.527 1.00 1.32 C ATOM 741 O LEU A 48 61.483 -9.771 4.822 1.00 1.80 O ATOM 742 CB LEU A 48 62.478 -7.645 2.708 1.00 1.21 C ATOM 743 CG LEU A 48 62.904 -8.223 1.357 1.00 1.28 C ATOM 744 CD1 LEU A 48 62.433 -7.297 0.233 1.00 2.11 C ATOM 745 CD2 LEU A 48 64.429 -8.341 1.312 1.00 1.86 C ATOM 0 H LEU A 48 60.564 -6.109 3.217 1.00 0.93 H new ATOM 0 HA LEU A 48 60.797 -9.017 2.452 1.00 0.98 H new ATOM 0 HB2 LEU A 48 62.462 -6.556 2.661 1.00 1.21 H new ATOM 0 HB3 LEU A 48 63.200 -7.920 3.477 1.00 1.21 H new ATOM 0 HG LEU A 48 62.457 -9.209 1.227 1.00 1.28 H new ATOM 0 HD11 LEU A 48 62.737 -7.709 -0.729 1.00 2.11 H new ATOM 0 HD12 LEU A 48 61.347 -7.210 0.264 1.00 2.11 H new ATOM 0 HD13 LEU A 48 62.880 -6.311 0.363 1.00 2.11 H new ATOM 0 HD21 LEU A 48 64.734 -8.753 0.350 1.00 1.86 H new ATOM 0 HD22 LEU A 48 64.874 -7.355 1.442 1.00 1.86 H new ATOM 0 HD23 LEU A 48 64.767 -9.000 2.112 1.00 1.86 H new ATOM 757 N GLY A 49 60.600 -7.855 5.433 1.00 1.36 N ATOM 758 CA GLY A 49 60.555 -8.277 6.861 1.00 1.95 C ATOM 759 C GLY A 49 61.075 -7.143 7.747 1.00 1.43 C ATOM 760 O GLY A 49 60.443 -6.756 8.709 1.00 1.92 O ATOM 0 H GLY A 49 60.242 -6.918 5.246 1.00 1.36 H new ATOM 0 HA2 GLY A 49 59.534 -8.534 7.143 1.00 1.95 H new ATOM 0 HA3 GLY A 49 61.160 -9.172 7.006 1.00 1.95 H new ATOM 764 N GLN A 50 62.221 -6.608 7.430 1.00 1.21 N ATOM 765 CA GLN A 50 62.782 -5.499 8.256 1.00 1.01 C ATOM 766 C GLN A 50 61.687 -4.480 8.587 1.00 1.02 C ATOM 767 O GLN A 50 60.876 -4.133 7.752 1.00 1.23 O ATOM 768 CB GLN A 50 63.860 -4.860 7.380 1.00 1.43 C ATOM 769 CG GLN A 50 65.233 -5.407 7.778 1.00 1.58 C ATOM 770 CD GLN A 50 65.410 -6.811 7.199 1.00 2.45 C ATOM 771 OE1 GLN A 50 64.619 -7.694 7.463 1.00 3.08 O ATOM 772 NE2 GLN A 50 66.422 -7.056 6.413 1.00 3.14 N ATOM 0 H GLN A 50 62.794 -6.890 6.635 1.00 1.21 H new ATOM 0 HA GLN A 50 63.184 -5.853 9.205 1.00 1.01 H new ATOM 0 HB2 GLN A 50 63.663 -5.073 6.329 1.00 1.43 H new ATOM 0 HB3 GLN A 50 63.841 -3.776 7.495 1.00 1.43 H new ATOM 0 HG2 GLN A 50 66.019 -4.748 7.409 1.00 1.58 H new ATOM 0 HG3 GLN A 50 65.324 -5.436 8.864 1.00 1.58 H new ATOM 0 HE21 GLN A 50 67.087 -6.315 6.191 1.00 3.14 H new ATOM 0 HE22 GLN A 50 66.549 -7.989 6.020 1.00 3.14 H new ATOM 781 N ASN A 51 61.661 -3.998 9.799 1.00 0.98 N ATOM 782 CA ASN A 51 60.621 -3.001 10.182 1.00 1.08 C ATOM 783 C ASN A 51 61.284 -1.732 10.726 1.00 0.93 C ATOM 784 O ASN A 51 61.260 -1.478 11.915 1.00 1.15 O ATOM 785 CB ASN A 51 59.797 -3.685 11.272 1.00 1.52 C ATOM 786 CG ASN A 51 59.181 -4.970 10.717 1.00 1.82 C ATOM 787 OD1 ASN A 51 58.994 -5.102 9.524 1.00 2.25 O ATOM 788 ND2 ASN A 51 58.856 -5.932 11.538 1.00 2.47 N ATOM 0 H ASN A 51 62.314 -4.251 10.540 1.00 0.98 H new ATOM 0 HA ASN A 51 60.004 -2.701 9.335 1.00 1.08 H new ATOM 0 HB2 ASN A 51 60.429 -3.913 12.130 1.00 1.52 H new ATOM 0 HB3 ASN A 51 59.012 -3.015 11.623 1.00 1.52 H new ATOM 0 HD21 ASN A 51 58.446 -6.793 11.177 1.00 2.47 H new ATOM 0 HD22 ASN A 51 59.013 -5.822 12.540 1.00 2.47 H new ATOM 795 N PRO A 52 61.856 -0.976 9.831 1.00 0.72 N ATOM 796 CA PRO A 52 62.539 0.283 10.217 1.00 0.80 C ATOM 797 C PRO A 52 61.513 1.357 10.590 1.00 0.80 C ATOM 798 O PRO A 52 60.321 1.121 10.581 1.00 0.80 O ATOM 799 CB PRO A 52 63.304 0.677 8.957 1.00 0.85 C ATOM 800 CG PRO A 52 62.558 0.029 7.834 1.00 0.79 C ATOM 801 CD PRO A 52 61.922 -1.220 8.386 1.00 0.71 C ATOM 0 HA PRO A 52 63.188 0.169 11.086 1.00 0.80 H new ATOM 0 HB2 PRO A 52 63.336 1.760 8.837 1.00 0.85 H new ATOM 0 HB3 PRO A 52 64.337 0.330 8.997 1.00 0.85 H new ATOM 0 HG2 PRO A 52 61.800 0.703 7.436 1.00 0.79 H new ATOM 0 HG3 PRO A 52 63.233 -0.213 7.013 1.00 0.79 H new ATOM 0 HD2 PRO A 52 60.931 -1.383 7.963 1.00 0.71 H new ATOM 0 HD3 PRO A 52 62.516 -2.105 8.157 1.00 0.71 H new ATOM 809 N THR A 53 61.969 2.536 10.916 1.00 0.87 N ATOM 810 CA THR A 53 61.024 3.626 11.290 1.00 0.92 C ATOM 811 C THR A 53 61.171 4.806 10.325 1.00 0.82 C ATOM 812 O THR A 53 62.221 5.011 9.749 1.00 0.76 O ATOM 813 CB THR A 53 61.432 4.037 12.705 1.00 1.08 C ATOM 814 OG1 THR A 53 60.665 5.163 13.109 1.00 1.26 O ATOM 815 CG2 THR A 53 62.918 4.394 12.725 1.00 1.54 C ATOM 0 H THR A 53 62.956 2.791 10.939 1.00 0.87 H new ATOM 0 HA THR A 53 59.983 3.305 11.244 1.00 0.92 H new ATOM 0 HB THR A 53 61.251 3.210 13.391 1.00 1.08 H new ATOM 0 HG1 THR A 53 60.924 5.427 14.017 1.00 1.26 H new ATOM 0 HG21 THR A 53 63.208 4.687 13.734 1.00 1.54 H new ATOM 0 HG22 THR A 53 63.504 3.529 12.416 1.00 1.54 H new ATOM 0 HG23 THR A 53 63.103 5.221 12.040 1.00 1.54 H new ATOM 823 N PRO A 54 60.105 5.546 10.183 1.00 0.82 N ATOM 824 CA PRO A 54 60.110 6.723 9.281 1.00 0.75 C ATOM 825 C PRO A 54 60.934 7.862 9.890 1.00 0.73 C ATOM 826 O PRO A 54 61.251 8.833 9.233 1.00 0.69 O ATOM 827 CB PRO A 54 58.635 7.108 9.190 1.00 0.83 C ATOM 828 CG PRO A 54 58.019 6.579 10.445 1.00 0.94 C ATOM 829 CD PRO A 54 58.810 5.359 10.846 1.00 0.93 C ATOM 0 HA PRO A 54 60.554 6.515 8.307 1.00 0.75 H new ATOM 0 HB2 PRO A 54 58.513 8.189 9.116 1.00 0.83 H new ATOM 0 HB3 PRO A 54 58.167 6.673 8.307 1.00 0.83 H new ATOM 0 HG2 PRO A 54 58.044 7.331 11.234 1.00 0.94 H new ATOM 0 HG3 PRO A 54 56.972 6.323 10.282 1.00 0.94 H new ATOM 0 HD2 PRO A 54 58.921 5.293 11.928 1.00 0.93 H new ATOM 0 HD3 PRO A 54 58.322 4.441 10.519 1.00 0.93 H new ATOM 837 N GLU A 55 61.282 7.748 11.143 1.00 0.85 N ATOM 838 CA GLU A 55 62.085 8.823 11.794 1.00 0.87 C ATOM 839 C GLU A 55 63.531 8.782 11.293 1.00 0.84 C ATOM 840 O GLU A 55 64.106 9.795 10.946 1.00 0.82 O ATOM 841 CB GLU A 55 62.026 8.510 13.290 1.00 1.02 C ATOM 842 CG GLU A 55 62.206 9.801 14.091 1.00 1.48 C ATOM 843 CD GLU A 55 61.048 10.753 13.792 1.00 2.02 C ATOM 844 OE1 GLU A 55 60.012 10.276 13.359 1.00 2.53 O ATOM 845 OE2 GLU A 55 61.216 11.943 14.002 1.00 2.57 O ATOM 0 H GLU A 55 61.046 6.958 11.744 1.00 0.85 H new ATOM 0 HA GLU A 55 61.701 9.818 11.570 1.00 0.87 H new ATOM 0 HB2 GLU A 55 61.071 8.046 13.538 1.00 1.02 H new ATOM 0 HB3 GLU A 55 62.805 7.795 13.553 1.00 1.02 H new ATOM 0 HG2 GLU A 55 62.241 9.578 15.157 1.00 1.48 H new ATOM 0 HG3 GLU A 55 63.154 10.272 13.833 1.00 1.48 H new ATOM 852 N GLU A 56 64.125 7.620 11.253 1.00 0.88 N ATOM 853 CA GLU A 56 65.534 7.519 10.774 1.00 0.91 C ATOM 854 C GLU A 56 65.580 7.595 9.246 1.00 0.80 C ATOM 855 O GLU A 56 66.565 8.004 8.665 1.00 0.81 O ATOM 856 CB GLU A 56 66.021 6.153 11.258 1.00 1.00 C ATOM 857 CG GLU A 56 67.210 6.339 12.203 1.00 1.44 C ATOM 858 CD GLU A 56 66.723 6.289 13.652 1.00 1.39 C ATOM 859 OE1 GLU A 56 65.532 6.108 13.850 1.00 2.00 O ATOM 860 OE2 GLU A 56 67.548 6.433 14.539 1.00 1.79 O ATOM 0 H GLU A 56 63.696 6.737 11.531 1.00 0.88 H new ATOM 0 HA GLU A 56 66.157 8.330 11.151 1.00 0.91 H new ATOM 0 HB2 GLU A 56 65.215 5.628 11.770 1.00 1.00 H new ATOM 0 HB3 GLU A 56 66.312 5.537 10.407 1.00 1.00 H new ATOM 0 HG2 GLU A 56 67.951 5.559 12.030 1.00 1.44 H new ATOM 0 HG3 GLU A 56 67.699 7.293 12.005 1.00 1.44 H new ATOM 867 N LEU A 57 64.523 7.201 8.591 1.00 0.75 N ATOM 868 CA LEU A 57 64.508 7.250 7.101 1.00 0.70 C ATOM 869 C LEU A 57 64.910 8.645 6.612 1.00 0.67 C ATOM 870 O LEU A 57 66.001 8.848 6.118 1.00 0.71 O ATOM 871 CB LEU A 57 63.064 6.937 6.708 1.00 0.69 C ATOM 872 CG LEU A 57 62.998 5.550 6.068 1.00 1.00 C ATOM 873 CD1 LEU A 57 63.791 5.553 4.760 1.00 1.51 C ATOM 874 CD2 LEU A 57 63.600 4.519 7.024 1.00 1.41 C ATOM 0 H LEU A 57 63.669 6.847 9.022 1.00 0.75 H new ATOM 0 HA LEU A 57 65.212 6.545 6.658 1.00 0.70 H new ATOM 0 HB2 LEU A 57 62.421 6.974 7.587 1.00 0.69 H new ATOM 0 HB3 LEU A 57 62.695 7.689 6.010 1.00 0.69 H new ATOM 0 HG LEU A 57 61.958 5.294 5.863 1.00 1.00 H new ATOM 0 HD11 LEU A 57 63.744 4.564 4.304 1.00 1.51 H new ATOM 0 HD12 LEU A 57 63.364 6.288 4.078 1.00 1.51 H new ATOM 0 HD13 LEU A 57 64.830 5.809 4.965 1.00 1.51 H new ATOM 0 HD21 LEU A 57 63.553 3.530 6.569 1.00 1.41 H new ATOM 0 HD22 LEU A 57 64.639 4.776 7.228 1.00 1.41 H new ATOM 0 HD23 LEU A 57 63.037 4.516 7.957 1.00 1.41 H new ATOM 886 N GLN A 58 64.036 9.605 6.743 1.00 0.68 N ATOM 887 CA GLN A 58 64.371 10.985 6.283 1.00 0.72 C ATOM 888 C GLN A 58 65.744 11.403 6.815 1.00 0.71 C ATOM 889 O GLN A 58 66.572 11.911 6.086 1.00 0.79 O ATOM 890 CB GLN A 58 63.274 11.875 6.869 1.00 0.79 C ATOM 891 CG GLN A 58 62.040 11.829 5.965 1.00 1.09 C ATOM 892 CD GLN A 58 61.938 13.135 5.172 1.00 1.67 C ATOM 893 OE1 GLN A 58 60.954 13.843 5.272 1.00 2.37 O ATOM 894 NE2 GLN A 58 62.917 13.485 4.385 1.00 2.20 N ATOM 0 H GLN A 58 63.106 9.495 7.148 1.00 0.68 H new ATOM 0 HA GLN A 58 64.418 11.058 5.196 1.00 0.72 H new ATOM 0 HB2 GLN A 58 63.015 11.538 7.873 1.00 0.79 H new ATOM 0 HB3 GLN A 58 63.633 12.900 6.960 1.00 0.79 H new ATOM 0 HG2 GLN A 58 62.107 10.981 5.283 1.00 1.09 H new ATOM 0 HG3 GLN A 58 61.142 11.685 6.565 1.00 1.09 H new ATOM 0 HE21 GLN A 58 63.742 12.891 4.302 1.00 2.20 H new ATOM 0 HE22 GLN A 58 62.858 14.353 3.853 1.00 2.20 H new ATOM 903 N GLU A 59 65.992 11.194 8.080 1.00 0.70 N ATOM 904 CA GLU A 59 67.314 11.581 8.654 1.00 0.72 C ATOM 905 C GLU A 59 68.448 11.024 7.789 1.00 0.73 C ATOM 906 O GLU A 59 69.261 11.760 7.265 1.00 0.75 O ATOM 907 CB GLU A 59 67.341 10.953 10.047 1.00 0.75 C ATOM 908 CG GLU A 59 67.688 12.023 11.084 1.00 1.37 C ATOM 909 CD GLU A 59 69.205 12.213 11.136 1.00 1.66 C ATOM 910 OE1 GLU A 59 69.804 12.326 10.079 1.00 2.02 O ATOM 911 OE2 GLU A 59 69.742 12.241 12.231 1.00 2.42 O ATOM 0 H GLU A 59 65.338 10.773 8.740 1.00 0.70 H new ATOM 0 HA GLU A 59 67.447 12.662 8.694 1.00 0.72 H new ATOM 0 HB2 GLU A 59 66.372 10.510 10.276 1.00 0.75 H new ATOM 0 HB3 GLU A 59 68.075 10.148 10.080 1.00 0.75 H new ATOM 0 HG2 GLU A 59 67.202 12.964 10.827 1.00 1.37 H new ATOM 0 HG3 GLU A 59 67.314 11.728 12.065 1.00 1.37 H new ATOM 918 N MET A 60 68.508 9.730 7.635 1.00 0.79 N ATOM 919 CA MET A 60 69.588 9.127 6.803 1.00 0.84 C ATOM 920 C MET A 60 69.594 9.764 5.410 1.00 0.82 C ATOM 921 O MET A 60 70.586 10.313 4.972 1.00 0.96 O ATOM 922 CB MET A 60 69.233 7.643 6.711 1.00 0.93 C ATOM 923 CG MET A 60 70.279 6.818 7.463 1.00 1.27 C ATOM 924 SD MET A 60 70.291 5.127 6.817 1.00 1.65 S ATOM 925 CE MET A 60 68.521 4.799 7.009 1.00 0.97 C ATOM 0 H MET A 60 67.856 9.064 8.049 1.00 0.79 H new ATOM 0 HA MET A 60 70.578 9.283 7.231 1.00 0.84 H new ATOM 0 HB2 MET A 60 68.244 7.468 7.135 1.00 0.93 H new ATOM 0 HB3 MET A 60 69.192 7.332 5.667 1.00 0.93 H new ATOM 0 HG2 MET A 60 71.265 7.269 7.349 1.00 1.27 H new ATOM 0 HG3 MET A 60 70.054 6.810 8.529 1.00 1.27 H new ATOM 0 HE1 MET A 60 68.356 3.724 7.083 1.00 0.97 H new ATOM 0 HE2 MET A 60 68.157 5.285 7.914 1.00 0.97 H new ATOM 0 HE3 MET A 60 67.983 5.190 6.146 1.00 0.97 H new ATOM 935 N ILE A 61 68.492 9.696 4.715 1.00 0.76 N ATOM 936 CA ILE A 61 68.432 10.298 3.352 1.00 0.78 C ATOM 937 C ILE A 61 68.955 11.737 3.386 1.00 0.77 C ATOM 938 O ILE A 61 69.728 12.147 2.543 1.00 0.82 O ATOM 939 CB ILE A 61 66.950 10.276 2.978 1.00 0.81 C ATOM 940 CG1 ILE A 61 66.459 8.828 2.926 1.00 0.90 C ATOM 941 CG2 ILE A 61 66.758 10.928 1.608 1.00 0.89 C ATOM 942 CD1 ILE A 61 64.956 8.787 3.206 1.00 0.98 C ATOM 0 H ILE A 61 67.631 9.250 5.031 1.00 0.76 H new ATOM 0 HA ILE A 61 69.044 9.755 2.632 1.00 0.78 H new ATOM 0 HB ILE A 61 66.380 10.828 3.725 1.00 0.81 H new ATOM 0 HG12 ILE A 61 66.669 8.397 1.947 1.00 0.90 H new ATOM 0 HG13 ILE A 61 66.993 8.225 3.661 1.00 0.90 H new ATOM 0 HG21 ILE A 61 65.701 10.912 1.342 1.00 0.89 H new ATOM 0 HG22 ILE A 61 67.107 11.960 1.644 1.00 0.89 H new ATOM 0 HG23 ILE A 61 67.329 10.378 0.860 1.00 0.89 H new ATOM 0 HD11 ILE A 61 64.607 7.755 3.169 1.00 0.98 H new ATOM 0 HD12 ILE A 61 64.759 9.201 4.195 1.00 0.98 H new ATOM 0 HD13 ILE A 61 64.430 9.375 2.454 1.00 0.98 H new ATOM 954 N ASP A 62 68.538 12.507 4.354 1.00 0.82 N ATOM 955 CA ASP A 62 69.011 13.919 4.441 1.00 0.90 C ATOM 956 C ASP A 62 70.539 13.974 4.356 1.00 0.85 C ATOM 957 O ASP A 62 71.104 14.824 3.697 1.00 0.91 O ATOM 958 CB ASP A 62 68.532 14.415 5.807 1.00 1.03 C ATOM 959 CG ASP A 62 69.029 15.843 6.033 1.00 1.58 C ATOM 960 OD1 ASP A 62 69.145 16.570 5.060 1.00 2.06 O ATOM 961 OD2 ASP A 62 69.284 16.187 7.176 1.00 2.24 O ATOM 0 H ASP A 62 67.891 12.220 5.088 1.00 0.82 H new ATOM 0 HA ASP A 62 68.626 14.533 3.626 1.00 0.90 H new ATOM 0 HB2 ASP A 62 67.443 14.385 5.855 1.00 1.03 H new ATOM 0 HB3 ASP A 62 68.904 13.760 6.595 1.00 1.03 H new ATOM 966 N GLU A 63 71.212 13.072 5.018 1.00 0.84 N ATOM 967 CA GLU A 63 72.699 13.069 4.976 1.00 0.91 C ATOM 968 C GLU A 63 73.181 12.222 3.791 1.00 1.01 C ATOM 969 O GLU A 63 74.321 12.302 3.380 1.00 1.32 O ATOM 970 CB GLU A 63 73.114 12.457 6.324 1.00 0.99 C ATOM 971 CG GLU A 63 74.378 11.608 6.164 1.00 1.35 C ATOM 972 CD GLU A 63 74.912 11.220 7.544 1.00 1.55 C ATOM 973 OE1 GLU A 63 74.184 10.572 8.278 1.00 2.14 O ATOM 974 OE2 GLU A 63 76.039 11.579 7.844 1.00 2.00 O ATOM 0 H GLU A 63 70.793 12.336 5.587 1.00 0.84 H new ATOM 0 HA GLU A 63 73.133 14.059 4.837 1.00 0.91 H new ATOM 0 HB2 GLU A 63 73.292 13.250 7.050 1.00 0.99 H new ATOM 0 HB3 GLU A 63 72.304 11.842 6.715 1.00 0.99 H new ATOM 0 HG2 GLU A 63 74.156 10.712 5.584 1.00 1.35 H new ATOM 0 HG3 GLU A 63 75.136 12.165 5.613 1.00 1.35 H new ATOM 981 N VAL A 64 72.318 11.414 3.238 1.00 0.92 N ATOM 982 CA VAL A 64 72.722 10.567 2.081 1.00 1.07 C ATOM 983 C VAL A 64 72.417 11.292 0.767 1.00 1.13 C ATOM 984 O VAL A 64 73.203 11.277 -0.159 1.00 1.54 O ATOM 985 CB VAL A 64 71.877 9.299 2.204 1.00 1.23 C ATOM 986 CG1 VAL A 64 72.040 8.452 0.941 1.00 2.24 C ATOM 987 CG2 VAL A 64 72.341 8.493 3.420 1.00 1.42 C ATOM 0 H VAL A 64 71.349 11.304 3.538 1.00 0.92 H new ATOM 0 HA VAL A 64 73.789 10.345 2.082 1.00 1.07 H new ATOM 0 HB VAL A 64 70.829 9.572 2.326 1.00 1.23 H new ATOM 0 HG11 VAL A 64 71.437 7.548 1.029 1.00 2.24 H new ATOM 0 HG12 VAL A 64 71.711 9.025 0.074 1.00 2.24 H new ATOM 0 HG13 VAL A 64 73.088 8.179 0.819 1.00 2.24 H new ATOM 0 HG21 VAL A 64 71.739 7.589 3.508 1.00 1.42 H new ATOM 0 HG22 VAL A 64 73.389 8.220 3.297 1.00 1.42 H new ATOM 0 HG23 VAL A 64 72.226 9.095 4.321 1.00 1.42 H new ATOM 997 N ASP A 65 71.281 11.928 0.682 1.00 1.00 N ATOM 998 CA ASP A 65 70.924 12.656 -0.569 1.00 1.14 C ATOM 999 C ASP A 65 71.854 13.857 -0.763 1.00 1.45 C ATOM 1000 O ASP A 65 71.423 14.994 -0.765 1.00 1.74 O ATOM 1001 CB ASP A 65 69.483 13.123 -0.358 1.00 1.21 C ATOM 1002 CG ASP A 65 69.452 14.224 0.703 1.00 2.09 C ATOM 1003 OD1 ASP A 65 70.361 14.262 1.516 1.00 2.83 O ATOM 1004 OD2 ASP A 65 68.519 15.011 0.685 1.00 2.63 O ATOM 0 H ASP A 65 70.584 11.975 1.425 1.00 1.00 H new ATOM 0 HA ASP A 65 71.023 12.029 -1.455 1.00 1.14 H new ATOM 0 HB2 ASP A 65 69.070 13.495 -1.295 1.00 1.21 H new ATOM 0 HB3 ASP A 65 68.860 12.285 -0.045 1.00 1.21 H new ATOM 1009 N GLU A 66 73.126 13.616 -0.925 1.00 1.86 N ATOM 1010 CA GLU A 66 74.081 14.746 -1.117 1.00 2.47 C ATOM 1011 C GLU A 66 73.506 15.763 -2.107 1.00 2.75 C ATOM 1012 O GLU A 66 73.488 16.950 -1.851 1.00 3.27 O ATOM 1013 CB GLU A 66 75.347 14.101 -1.684 1.00 3.01 C ATOM 1014 CG GLU A 66 76.544 14.465 -0.804 1.00 3.52 C ATOM 1015 CD GLU A 66 76.514 13.624 0.473 1.00 4.01 C ATOM 1016 OE1 GLU A 66 75.580 12.856 0.631 1.00 4.34 O ATOM 1017 OE2 GLU A 66 77.427 13.761 1.271 1.00 4.48 O ATOM 0 H GLU A 66 73.546 12.686 -0.933 1.00 1.86 H new ATOM 0 HA GLU A 66 74.277 15.284 -0.189 1.00 2.47 H new ATOM 0 HB2 GLU A 66 75.229 13.018 -1.726 1.00 3.01 H new ATOM 0 HB3 GLU A 66 75.516 14.443 -2.705 1.00 3.01 H new ATOM 0 HG2 GLU A 66 77.474 14.290 -1.346 1.00 3.52 H new ATOM 0 HG3 GLU A 66 76.516 15.526 -0.554 1.00 3.52 H new ATOM 1024 N ASP A 67 73.040 15.307 -3.238 1.00 2.74 N ATOM 1025 CA ASP A 67 72.469 16.251 -4.242 1.00 3.19 C ATOM 1026 C ASP A 67 70.971 16.444 -3.995 1.00 2.83 C ATOM 1027 O ASP A 67 70.276 17.058 -4.779 1.00 3.27 O ATOM 1028 CB ASP A 67 72.709 15.582 -5.596 1.00 4.15 C ATOM 1029 CG ASP A 67 73.862 16.286 -6.314 1.00 4.87 C ATOM 1030 OD1 ASP A 67 74.994 15.877 -6.118 1.00 5.31 O ATOM 1031 OD2 ASP A 67 73.592 17.222 -7.049 1.00 5.28 O ATOM 0 H ASP A 67 73.030 14.324 -3.510 1.00 2.74 H new ATOM 0 HA ASP A 67 72.928 17.238 -4.189 1.00 3.19 H new ATOM 0 HB2 ASP A 67 72.944 14.527 -5.456 1.00 4.15 H new ATOM 0 HB3 ASP A 67 71.805 15.630 -6.203 1.00 4.15 H new ATOM 1036 N GLY A 68 70.469 15.923 -2.910 1.00 2.35 N ATOM 1037 CA GLY A 68 69.017 16.077 -2.611 1.00 2.67 C ATOM 1038 C GLY A 68 68.193 15.458 -3.742 1.00 2.07 C ATOM 1039 O GLY A 68 67.438 16.132 -4.413 1.00 2.77 O ATOM 0 H GLY A 68 71.001 15.397 -2.217 1.00 2.35 H new ATOM 0 HA2 GLY A 68 68.777 15.592 -1.665 1.00 2.67 H new ATOM 0 HA3 GLY A 68 68.768 17.132 -2.501 1.00 2.67 H new ATOM 1043 N SER A 69 68.331 14.178 -3.956 1.00 1.42 N ATOM 1044 CA SER A 69 67.553 13.516 -5.043 1.00 1.79 C ATOM 1045 C SER A 69 66.225 12.988 -4.495 1.00 1.42 C ATOM 1046 O SER A 69 65.237 12.914 -5.198 1.00 1.97 O ATOM 1047 CB SER A 69 68.434 12.359 -5.514 1.00 2.79 C ATOM 1048 OG SER A 69 67.796 11.696 -6.599 1.00 3.72 O ATOM 0 H SER A 69 68.948 13.562 -3.426 1.00 1.42 H new ATOM 0 HA SER A 69 67.313 14.202 -5.855 1.00 1.79 H new ATOM 0 HB2 SER A 69 69.410 12.732 -5.824 1.00 2.79 H new ATOM 0 HB3 SER A 69 68.605 11.660 -4.695 1.00 2.79 H new ATOM 0 HG SER A 69 67.243 10.964 -6.255 1.00 3.72 H new ATOM 1054 N GLY A 70 66.194 12.622 -3.243 1.00 1.01 N ATOM 1055 CA GLY A 70 64.930 12.100 -2.650 1.00 1.07 C ATOM 1056 C GLY A 70 64.618 10.723 -3.240 1.00 0.84 C ATOM 1057 O GLY A 70 63.508 10.238 -3.150 1.00 0.87 O ATOM 0 H GLY A 70 66.989 12.662 -2.605 1.00 1.01 H new ATOM 0 HA2 GLY A 70 65.026 12.029 -1.567 1.00 1.07 H new ATOM 0 HA3 GLY A 70 64.110 12.788 -2.853 1.00 1.07 H new ATOM 1061 N THR A 71 65.588 10.090 -3.842 1.00 0.70 N ATOM 1062 CA THR A 71 65.343 8.745 -4.437 1.00 0.55 C ATOM 1063 C THR A 71 66.628 7.911 -4.410 1.00 0.54 C ATOM 1064 O THR A 71 67.691 8.379 -4.768 1.00 0.72 O ATOM 1065 CB THR A 71 64.911 9.020 -5.877 1.00 0.60 C ATOM 1066 OG1 THR A 71 66.013 9.537 -6.609 1.00 0.83 O ATOM 1067 CG2 THR A 71 63.770 10.039 -5.882 1.00 0.81 C ATOM 0 H THR A 71 66.538 10.445 -3.948 1.00 0.70 H new ATOM 0 HA THR A 71 64.589 8.182 -3.887 1.00 0.55 H new ATOM 0 HB THR A 71 64.570 8.093 -6.339 1.00 0.60 H new ATOM 0 HG1 THR A 71 65.738 9.713 -7.533 1.00 0.83 H new ATOM 0 HG21 THR A 71 63.462 10.235 -6.909 1.00 0.81 H new ATOM 0 HG22 THR A 71 62.925 9.642 -5.319 1.00 0.81 H new ATOM 0 HG23 THR A 71 64.109 10.967 -5.421 1.00 0.81 H new ATOM 1075 N VAL A 72 66.538 6.680 -3.984 1.00 0.52 N ATOM 1076 CA VAL A 72 67.756 5.817 -3.933 1.00 0.65 C ATOM 1077 C VAL A 72 67.746 4.786 -5.062 1.00 0.56 C ATOM 1078 O VAL A 72 66.752 4.578 -5.726 1.00 0.57 O ATOM 1079 CB VAL A 72 67.724 5.096 -2.578 1.00 0.92 C ATOM 1080 CG1 VAL A 72 68.366 5.985 -1.520 1.00 1.52 C ATOM 1081 CG2 VAL A 72 66.283 4.777 -2.168 1.00 1.23 C ATOM 0 H VAL A 72 65.676 6.234 -3.669 1.00 0.52 H new ATOM 0 HA VAL A 72 68.656 6.421 -4.050 1.00 0.65 H new ATOM 0 HB VAL A 72 68.276 4.160 -2.666 1.00 0.92 H new ATOM 0 HG11 VAL A 72 68.345 5.477 -0.556 1.00 1.52 H new ATOM 0 HG12 VAL A 72 69.399 6.194 -1.798 1.00 1.52 H new ATOM 0 HG13 VAL A 72 67.814 6.922 -1.448 1.00 1.52 H new ATOM 0 HG21 VAL A 72 66.283 4.266 -1.205 1.00 1.23 H new ATOM 0 HG22 VAL A 72 65.714 5.703 -2.087 1.00 1.23 H new ATOM 0 HG23 VAL A 72 65.825 4.134 -2.920 1.00 1.23 H new ATOM 1091 N ASP A 73 68.855 4.132 -5.264 1.00 0.64 N ATOM 1092 CA ASP A 73 68.940 3.097 -6.330 1.00 0.70 C ATOM 1093 C ASP A 73 69.419 1.779 -5.718 1.00 0.70 C ATOM 1094 O ASP A 73 69.479 1.633 -4.514 1.00 0.71 O ATOM 1095 CB ASP A 73 69.967 3.636 -7.326 1.00 0.85 C ATOM 1096 CG ASP A 73 69.710 3.025 -8.705 1.00 1.25 C ATOM 1097 OD1 ASP A 73 69.379 1.853 -8.761 1.00 1.91 O ATOM 1098 OD2 ASP A 73 69.849 3.742 -9.682 1.00 1.72 O ATOM 0 H ASP A 73 69.713 4.272 -4.731 1.00 0.64 H new ATOM 0 HA ASP A 73 67.981 2.904 -6.811 1.00 0.70 H new ATOM 0 HB2 ASP A 73 69.901 4.723 -7.380 1.00 0.85 H new ATOM 0 HB3 ASP A 73 70.976 3.394 -6.991 1.00 0.85 H new ATOM 1103 N PHE A 74 69.759 0.820 -6.529 1.00 0.81 N ATOM 1104 CA PHE A 74 70.231 -0.482 -5.976 1.00 0.87 C ATOM 1105 C PHE A 74 71.594 -0.315 -5.298 1.00 0.76 C ATOM 1106 O PHE A 74 71.978 -1.102 -4.456 1.00 0.74 O ATOM 1107 CB PHE A 74 70.341 -1.411 -7.184 1.00 1.04 C ATOM 1108 CG PHE A 74 70.152 -2.840 -6.740 1.00 1.34 C ATOM 1109 CD1 PHE A 74 68.962 -3.227 -6.115 1.00 2.11 C ATOM 1110 CD2 PHE A 74 71.169 -3.780 -6.955 1.00 2.16 C ATOM 1111 CE1 PHE A 74 68.786 -4.554 -5.703 1.00 3.02 C ATOM 1112 CE2 PHE A 74 70.994 -5.106 -6.543 1.00 3.14 C ATOM 1113 CZ PHE A 74 69.803 -5.494 -5.917 1.00 3.42 C ATOM 0 H PHE A 74 69.732 0.878 -7.547 1.00 0.81 H new ATOM 0 HA PHE A 74 69.552 -0.876 -5.220 1.00 0.87 H new ATOM 0 HB2 PHE A 74 69.589 -1.148 -7.928 1.00 1.04 H new ATOM 0 HB3 PHE A 74 71.315 -1.293 -7.659 1.00 1.04 H new ATOM 0 HD1 PHE A 74 68.179 -2.502 -5.950 1.00 2.11 H new ATOM 0 HD2 PHE A 74 72.087 -3.481 -7.438 1.00 2.16 H new ATOM 0 HE1 PHE A 74 67.867 -4.853 -5.221 1.00 3.02 H new ATOM 0 HE2 PHE A 74 71.778 -5.830 -6.708 1.00 3.14 H new ATOM 0 HZ PHE A 74 69.668 -6.517 -5.599 1.00 3.42 H new ATOM 1123 N ASP A 75 72.332 0.699 -5.660 1.00 0.79 N ATOM 1124 CA ASP A 75 73.669 0.904 -5.033 1.00 0.78 C ATOM 1125 C ASP A 75 73.525 1.630 -3.692 1.00 0.71 C ATOM 1126 O ASP A 75 74.265 1.381 -2.761 1.00 0.67 O ATOM 1127 CB ASP A 75 74.449 1.766 -6.027 1.00 0.96 C ATOM 1128 CG ASP A 75 75.925 1.794 -5.626 1.00 1.50 C ATOM 1129 OD1 ASP A 75 76.347 0.886 -4.928 1.00 2.18 O ATOM 1130 OD2 ASP A 75 76.609 2.724 -6.022 1.00 1.99 O ATOM 0 H ASP A 75 72.068 1.392 -6.360 1.00 0.79 H new ATOM 0 HA ASP A 75 74.173 -0.040 -4.828 1.00 0.78 H new ATOM 0 HB2 ASP A 75 74.342 1.365 -7.035 1.00 0.96 H new ATOM 0 HB3 ASP A 75 74.046 2.778 -6.042 1.00 0.96 H new ATOM 1135 N GLU A 76 72.581 2.524 -3.585 1.00 0.74 N ATOM 1136 CA GLU A 76 72.398 3.258 -2.301 1.00 0.72 C ATOM 1137 C GLU A 76 71.490 2.460 -1.362 1.00 0.61 C ATOM 1138 O GLU A 76 71.830 2.205 -0.224 1.00 0.60 O ATOM 1139 CB GLU A 76 71.740 4.582 -2.691 1.00 0.82 C ATOM 1140 CG GLU A 76 72.761 5.470 -3.406 1.00 0.96 C ATOM 1141 CD GLU A 76 73.722 6.071 -2.378 1.00 1.36 C ATOM 1142 OE1 GLU A 76 73.537 5.812 -1.201 1.00 2.14 O ATOM 1143 OE2 GLU A 76 74.625 6.782 -2.786 1.00 2.01 O ATOM 0 H GLU A 76 71.930 2.778 -4.328 1.00 0.74 H new ATOM 0 HA GLU A 76 73.340 3.413 -1.775 1.00 0.72 H new ATOM 0 HB2 GLU A 76 70.885 4.397 -3.341 1.00 0.82 H new ATOM 0 HB3 GLU A 76 71.362 5.088 -1.803 1.00 0.82 H new ATOM 0 HG2 GLU A 76 73.316 4.886 -4.140 1.00 0.96 H new ATOM 0 HG3 GLU A 76 72.250 6.264 -3.950 1.00 0.96 H new ATOM 1150 N PHE A 77 70.338 2.062 -1.829 1.00 0.60 N ATOM 1151 CA PHE A 77 69.414 1.280 -0.959 1.00 0.54 C ATOM 1152 C PHE A 77 70.182 0.170 -0.234 1.00 0.48 C ATOM 1153 O PHE A 77 70.112 0.040 0.972 1.00 0.55 O ATOM 1154 CB PHE A 77 68.380 0.681 -1.913 1.00 0.61 C ATOM 1155 CG PHE A 77 67.447 -0.219 -1.140 1.00 0.67 C ATOM 1156 CD1 PHE A 77 67.100 0.100 0.178 1.00 1.30 C ATOM 1157 CD2 PHE A 77 66.929 -1.373 -1.741 1.00 1.52 C ATOM 1158 CE1 PHE A 77 66.236 -0.735 0.895 1.00 1.38 C ATOM 1159 CE2 PHE A 77 66.065 -2.208 -1.024 1.00 1.78 C ATOM 1160 CZ PHE A 77 65.718 -1.890 0.295 1.00 1.25 C ATOM 0 H PHE A 77 69.997 2.244 -2.773 1.00 0.60 H new ATOM 0 HA PHE A 77 68.949 1.898 -0.191 1.00 0.54 H new ATOM 0 HB2 PHE A 77 67.815 1.476 -2.401 1.00 0.61 H new ATOM 0 HB3 PHE A 77 68.879 0.116 -2.700 1.00 0.61 H new ATOM 0 HD1 PHE A 77 67.499 0.990 0.641 1.00 1.30 H new ATOM 0 HD2 PHE A 77 67.196 -1.619 -2.758 1.00 1.52 H new ATOM 0 HE1 PHE A 77 65.968 -0.489 1.912 1.00 1.38 H new ATOM 0 HE2 PHE A 77 65.666 -3.098 -1.488 1.00 1.78 H new ATOM 0 HZ PHE A 77 65.052 -2.535 0.849 1.00 1.25 H new ATOM 1170 N LEU A 78 70.912 -0.632 -0.960 1.00 0.46 N ATOM 1171 CA LEU A 78 71.681 -1.732 -0.310 1.00 0.49 C ATOM 1172 C LEU A 78 72.515 -1.180 0.848 1.00 0.48 C ATOM 1173 O LEU A 78 72.480 -1.692 1.950 1.00 0.54 O ATOM 1174 CB LEU A 78 72.590 -2.286 -1.408 1.00 0.56 C ATOM 1175 CG LEU A 78 71.755 -3.083 -2.411 1.00 0.78 C ATOM 1176 CD1 LEU A 78 72.684 -3.825 -3.373 1.00 1.70 C ATOM 1177 CD2 LEU A 78 70.886 -4.097 -1.663 1.00 0.70 C ATOM 0 H LEU A 78 71.009 -0.574 -1.974 1.00 0.46 H new ATOM 0 HA LEU A 78 71.029 -2.501 0.105 1.00 0.49 H new ATOM 0 HB2 LEU A 78 73.104 -1.469 -1.915 1.00 0.56 H new ATOM 0 HB3 LEU A 78 73.358 -2.924 -0.971 1.00 0.56 H new ATOM 0 HG LEU A 78 71.117 -2.401 -2.973 1.00 0.78 H new ATOM 0 HD11 LEU A 78 72.089 -4.393 -4.088 1.00 1.70 H new ATOM 0 HD12 LEU A 78 73.304 -3.105 -3.908 1.00 1.70 H new ATOM 0 HD13 LEU A 78 73.322 -4.506 -2.810 1.00 1.70 H new ATOM 0 HD21 LEU A 78 70.291 -4.665 -2.379 1.00 0.70 H new ATOM 0 HD22 LEU A 78 71.524 -4.778 -1.101 1.00 0.70 H new ATOM 0 HD23 LEU A 78 70.223 -3.571 -0.976 1.00 0.70 H new ATOM 1189 N VAL A 79 73.264 -0.137 0.612 1.00 0.46 N ATOM 1190 CA VAL A 79 74.094 0.446 1.704 1.00 0.51 C ATOM 1191 C VAL A 79 73.203 0.831 2.886 1.00 0.53 C ATOM 1192 O VAL A 79 73.435 0.431 4.009 1.00 0.64 O ATOM 1193 CB VAL A 79 74.744 1.687 1.093 1.00 0.54 C ATOM 1194 CG1 VAL A 79 75.574 2.405 2.159 1.00 0.67 C ATOM 1195 CG2 VAL A 79 75.655 1.268 -0.062 1.00 0.62 C ATOM 0 H VAL A 79 73.337 0.336 -0.289 1.00 0.46 H new ATOM 0 HA VAL A 79 74.839 -0.256 2.079 1.00 0.51 H new ATOM 0 HB VAL A 79 73.969 2.357 0.722 1.00 0.54 H new ATOM 0 HG11 VAL A 79 76.038 3.290 1.724 1.00 0.67 H new ATOM 0 HG12 VAL A 79 74.927 2.703 2.984 1.00 0.67 H new ATOM 0 HG13 VAL A 79 76.349 1.734 2.529 1.00 0.67 H new ATOM 0 HG21 VAL A 79 76.119 2.152 -0.499 1.00 0.62 H new ATOM 0 HG22 VAL A 79 76.430 0.598 0.310 1.00 0.62 H new ATOM 0 HG23 VAL A 79 75.066 0.755 -0.822 1.00 0.62 H new ATOM 1205 N MET A 80 72.179 1.603 2.641 1.00 0.52 N ATOM 1206 CA MET A 80 71.270 2.009 3.750 1.00 0.60 C ATOM 1207 C MET A 80 70.738 0.766 4.467 1.00 0.62 C ATOM 1208 O MET A 80 70.603 0.743 5.674 1.00 0.71 O ATOM 1209 CB MET A 80 70.132 2.770 3.071 1.00 0.66 C ATOM 1210 CG MET A 80 70.630 4.150 2.632 1.00 1.11 C ATOM 1211 SD MET A 80 69.534 5.426 3.297 1.00 1.23 S ATOM 1212 CE MET A 80 68.735 5.874 1.735 1.00 0.86 C ATOM 0 H MET A 80 71.933 1.970 1.721 1.00 0.52 H new ATOM 0 HA MET A 80 71.772 2.620 4.500 1.00 0.60 H new ATOM 0 HB2 MET A 80 69.771 2.211 2.208 1.00 0.66 H new ATOM 0 HB3 MET A 80 69.291 2.876 3.757 1.00 0.66 H new ATOM 0 HG2 MET A 80 71.649 4.310 2.985 1.00 1.11 H new ATOM 0 HG3 MET A 80 70.657 4.210 1.544 1.00 1.11 H new ATOM 0 HE1 MET A 80 68.139 6.775 1.877 1.00 0.86 H new ATOM 0 HE2 MET A 80 69.496 6.058 0.977 1.00 0.86 H new ATOM 0 HE3 MET A 80 68.089 5.059 1.410 1.00 0.86 H new ATOM 1222 N MET A 81 70.438 -0.271 3.732 1.00 0.61 N ATOM 1223 CA MET A 81 69.921 -1.513 4.372 1.00 0.72 C ATOM 1224 C MET A 81 70.985 -2.104 5.300 1.00 0.79 C ATOM 1225 O MET A 81 70.684 -2.625 6.355 1.00 0.91 O ATOM 1226 CB MET A 81 69.632 -2.467 3.211 1.00 0.75 C ATOM 1227 CG MET A 81 68.134 -2.450 2.896 1.00 1.01 C ATOM 1228 SD MET A 81 67.215 -3.136 4.295 1.00 1.71 S ATOM 1229 CE MET A 81 68.115 -4.702 4.410 1.00 1.66 C ATOM 0 H MET A 81 70.529 -0.311 2.717 1.00 0.61 H new ATOM 0 HA MET A 81 69.033 -1.330 4.977 1.00 0.72 H new ATOM 0 HB2 MET A 81 70.203 -2.169 2.331 1.00 0.75 H new ATOM 0 HB3 MET A 81 69.949 -3.478 3.469 1.00 0.75 H new ATOM 0 HG2 MET A 81 67.805 -1.430 2.696 1.00 1.01 H new ATOM 0 HG3 MET A 81 67.934 -3.031 1.996 1.00 1.01 H new ATOM 0 HE1 MET A 81 67.405 -5.526 4.480 1.00 1.66 H new ATOM 0 HE2 MET A 81 68.735 -4.832 3.523 1.00 1.66 H new ATOM 0 HE3 MET A 81 68.749 -4.693 5.297 1.00 1.66 H new ATOM 1239 N VAL A 82 72.229 -2.024 4.913 1.00 0.78 N ATOM 1240 CA VAL A 82 73.315 -2.576 5.772 1.00 0.90 C ATOM 1241 C VAL A 82 73.466 -1.726 7.036 1.00 0.94 C ATOM 1242 O VAL A 82 73.895 -2.201 8.068 1.00 1.13 O ATOM 1243 CB VAL A 82 74.578 -2.492 4.914 1.00 0.98 C ATOM 1244 CG1 VAL A 82 75.771 -3.024 5.707 1.00 1.83 C ATOM 1245 CG2 VAL A 82 74.391 -3.333 3.649 1.00 1.38 C ATOM 0 H VAL A 82 72.540 -1.600 4.039 1.00 0.78 H new ATOM 0 HA VAL A 82 73.111 -3.596 6.096 1.00 0.90 H new ATOM 0 HB VAL A 82 74.761 -1.454 4.638 1.00 0.98 H new ATOM 0 HG11 VAL A 82 76.671 -2.964 5.095 1.00 1.83 H new ATOM 0 HG12 VAL A 82 75.905 -2.426 6.608 1.00 1.83 H new ATOM 0 HG13 VAL A 82 75.590 -4.062 5.984 1.00 1.83 H new ATOM 0 HG21 VAL A 82 75.291 -3.274 3.037 1.00 1.38 H new ATOM 0 HG22 VAL A 82 74.208 -4.371 3.926 1.00 1.38 H new ATOM 0 HG23 VAL A 82 73.541 -2.954 3.082 1.00 1.38 H new ATOM 1255 N ARG A 83 73.115 -0.472 6.960 1.00 0.84 N ATOM 1256 CA ARG A 83 73.234 0.413 8.153 1.00 0.93 C ATOM 1257 C ARG A 83 72.049 0.188 9.096 1.00 0.93 C ATOM 1258 O ARG A 83 72.138 0.410 10.286 1.00 1.23 O ATOM 1259 CB ARG A 83 73.216 1.836 7.592 1.00 0.95 C ATOM 1260 CG ARG A 83 74.168 2.720 8.400 1.00 1.53 C ATOM 1261 CD ARG A 83 74.159 4.138 7.823 1.00 1.50 C ATOM 1262 NE ARG A 83 75.412 4.767 8.326 1.00 1.75 N ATOM 1263 CZ ARG A 83 75.674 6.015 8.046 1.00 2.02 C ATOM 1264 NH1 ARG A 83 75.467 6.469 6.839 1.00 2.44 N ATOM 1265 NH2 ARG A 83 76.144 6.807 8.969 1.00 2.58 N ATOM 0 H ARG A 83 72.750 -0.021 6.121 1.00 0.84 H new ATOM 0 HA ARG A 83 74.138 0.215 8.729 1.00 0.93 H new ATOM 0 HB2 ARG A 83 73.514 1.828 6.543 1.00 0.95 H new ATOM 0 HB3 ARG A 83 72.205 2.241 7.633 1.00 0.95 H new ATOM 0 HG2 ARG A 83 73.864 2.740 9.446 1.00 1.53 H new ATOM 0 HG3 ARG A 83 75.177 2.309 8.369 1.00 1.53 H new ATOM 0 HD2 ARG A 83 74.136 4.121 6.733 1.00 1.50 H new ATOM 0 HD3 ARG A 83 73.280 4.692 8.152 1.00 1.50 H new ATOM 0 HE ARG A 83 76.065 4.223 8.889 1.00 1.75 H new ATOM 0 HH11 ARG A 83 75.101 5.849 6.117 1.00 2.44 H new ATOM 0 HH12 ARG A 83 75.671 7.444 6.619 1.00 2.44 H new ATOM 0 HH21 ARG A 83 76.307 6.452 9.911 1.00 2.58 H new ATOM 0 HH22 ARG A 83 76.348 7.782 8.749 1.00 2.58 H new ATOM 1279 N CYS A 84 70.938 -0.253 8.569 1.00 0.81 N ATOM 1280 CA CYS A 84 69.746 -0.494 9.433 1.00 0.94 C ATOM 1281 C CYS A 84 69.870 -1.849 10.135 1.00 1.01 C ATOM 1282 O CYS A 84 69.473 -2.008 11.272 1.00 1.67 O ATOM 1283 CB CYS A 84 68.556 -0.494 8.474 1.00 1.20 C ATOM 1284 SG CYS A 84 67.104 0.185 9.314 1.00 1.56 S ATOM 0 H CYS A 84 70.804 -0.457 7.578 1.00 0.81 H new ATOM 0 HA CYS A 84 69.640 0.260 10.213 1.00 0.94 H new ATOM 0 HB2 CYS A 84 68.788 0.099 7.589 1.00 1.20 H new ATOM 0 HB3 CYS A 84 68.351 -1.509 8.133 1.00 1.20 H new ATOM 0 HG CYS A 84 66.445 0.948 8.493 1.00 1.56 H new ATOM 1290 N MET A 85 70.417 -2.825 9.465 1.00 1.25 N ATOM 1291 CA MET A 85 70.565 -4.170 10.093 1.00 1.43 C ATOM 1292 C MET A 85 71.913 -4.273 10.813 1.00 1.78 C ATOM 1293 O MET A 85 72.958 -4.095 10.219 1.00 2.66 O ATOM 1294 CB MET A 85 70.504 -5.158 8.928 1.00 1.49 C ATOM 1295 CG MET A 85 71.604 -4.824 7.919 1.00 1.71 C ATOM 1296 SD MET A 85 72.761 -6.211 7.804 1.00 1.93 S ATOM 1297 CE MET A 85 72.051 -6.975 6.327 1.00 1.59 C ATOM 0 H MET A 85 70.768 -2.751 8.510 1.00 1.25 H new ATOM 0 HA MET A 85 69.792 -4.366 10.836 1.00 1.43 H new ATOM 0 HB2 MET A 85 70.629 -6.177 9.294 1.00 1.49 H new ATOM 0 HB3 MET A 85 69.527 -5.110 8.447 1.00 1.49 H new ATOM 0 HG2 MET A 85 71.166 -4.620 6.942 1.00 1.71 H new ATOM 0 HG3 MET A 85 72.132 -3.921 8.226 1.00 1.71 H new ATOM 0 HE1 MET A 85 72.621 -7.868 6.069 1.00 1.59 H new ATOM 0 HE2 MET A 85 71.014 -7.250 6.522 1.00 1.59 H new ATOM 0 HE3 MET A 85 72.089 -6.269 5.498 1.00 1.59 H new ATOM 1307 N LYS A 86 71.897 -4.559 12.085 1.00 1.64 N ATOM 1308 CA LYS A 86 73.178 -4.673 12.839 1.00 2.09 C ATOM 1309 C LYS A 86 73.539 -6.146 13.047 1.00 1.80 C ATOM 1310 O LYS A 86 74.202 -6.504 14.001 1.00 2.13 O ATOM 1311 CB LYS A 86 72.910 -3.990 14.181 1.00 2.91 C ATOM 1312 CG LYS A 86 73.113 -2.482 14.037 1.00 3.84 C ATOM 1313 CD LYS A 86 74.608 -2.176 13.921 1.00 4.67 C ATOM 1314 CE LYS A 86 74.961 -0.996 14.829 1.00 5.16 C ATOM 1315 NZ LYS A 86 75.544 -1.615 16.052 1.00 6.26 N ATOM 0 H LYS A 86 71.053 -4.719 12.635 1.00 1.64 H new ATOM 0 HA LYS A 86 74.012 -4.214 12.309 1.00 2.09 H new ATOM 0 HB2 LYS A 86 71.893 -4.201 14.511 1.00 2.91 H new ATOM 0 HB3 LYS A 86 73.581 -4.387 14.943 1.00 2.91 H new ATOM 0 HG2 LYS A 86 72.587 -2.116 13.155 1.00 3.84 H new ATOM 0 HG3 LYS A 86 72.691 -1.964 14.898 1.00 3.84 H new ATOM 0 HD2 LYS A 86 75.192 -3.052 14.203 1.00 4.67 H new ATOM 0 HD3 LYS A 86 74.863 -1.942 12.887 1.00 4.67 H new ATOM 0 HE2 LYS A 86 75.673 -0.326 14.347 1.00 5.16 H new ATOM 0 HE3 LYS A 86 74.078 -0.404 15.068 1.00 5.16 H new ATOM 0 HZ1 LYS A 86 75.812 -0.869 16.725 1.00 6.26 H new ATOM 0 HZ2 LYS A 86 74.841 -2.242 16.492 1.00 6.26 H new ATOM 0 HZ3 LYS A 86 76.387 -2.167 15.794 1.00 6.26 H new ATOM 1329 N ASP A 87 73.108 -7.004 12.163 1.00 2.28 N ATOM 1330 CA ASP A 87 73.427 -8.453 12.313 1.00 2.97 C ATOM 1331 C ASP A 87 73.903 -9.034 10.979 1.00 3.59 C ATOM 1332 O ASP A 87 73.367 -8.729 9.932 1.00 4.32 O ATOM 1333 CB ASP A 87 72.112 -9.105 12.743 1.00 3.76 C ATOM 1334 CG ASP A 87 72.039 -9.151 14.270 1.00 4.49 C ATOM 1335 OD1 ASP A 87 72.923 -8.599 14.903 1.00 5.14 O ATOM 1336 OD2 ASP A 87 71.099 -9.740 14.780 1.00 4.78 O ATOM 0 H ASP A 87 72.549 -6.765 11.344 1.00 2.28 H new ATOM 0 HA ASP A 87 74.225 -8.626 13.035 1.00 2.97 H new ATOM 0 HB2 ASP A 87 71.268 -8.542 12.345 1.00 3.76 H new ATOM 0 HB3 ASP A 87 72.043 -10.113 12.335 1.00 3.76 H new ATOM 1341 N ASP A 88 74.907 -9.869 11.008 1.00 3.80 N ATOM 1342 CA ASP A 88 75.417 -10.466 9.740 1.00 4.81 C ATOM 1343 C ASP A 88 74.657 -11.757 9.419 1.00 5.29 C ATOM 1344 O ASP A 88 73.887 -11.819 8.482 1.00 5.56 O ATOM 1345 CB ASP A 88 76.891 -10.766 10.009 1.00 5.52 C ATOM 1346 CG ASP A 88 77.671 -9.453 10.107 1.00 6.22 C ATOM 1347 OD1 ASP A 88 77.334 -8.532 9.381 1.00 6.55 O ATOM 1348 OD2 ASP A 88 78.590 -9.390 10.906 1.00 6.70 O ATOM 0 H ASP A 88 75.395 -10.163 11.854 1.00 3.80 H new ATOM 0 HA ASP A 88 75.285 -9.800 8.888 1.00 4.81 H new ATOM 0 HB2 ASP A 88 76.995 -11.332 10.934 1.00 5.52 H new ATOM 0 HB3 ASP A 88 77.299 -11.384 9.209 1.00 5.52 H new ATOM 1353 N SER A 89 74.869 -12.788 10.191 1.00 5.81 N ATOM 1354 CA SER A 89 74.159 -14.073 9.929 1.00 6.66 C ATOM 1355 C SER A 89 74.478 -14.575 8.519 1.00 7.11 C ATOM 1356 O SER A 89 73.608 -14.486 7.668 1.00 7.53 O ATOM 1357 CB SER A 89 72.675 -13.738 10.054 1.00 7.31 C ATOM 1358 OG SER A 89 72.003 -14.814 10.696 1.00 7.59 O ATOM 1359 OXT SER A 89 75.588 -15.040 8.313 1.00 7.31 O ATOM 0 H SER A 89 75.502 -12.796 10.991 1.00 5.81 H new ATOM 0 HA SER A 89 74.459 -14.859 10.622 1.00 6.66 H new ATOM 0 HB2 SER A 89 72.545 -12.819 10.626 1.00 7.31 H new ATOM 0 HB3 SER A 89 72.246 -13.563 9.068 1.00 7.31 H new ATOM 0 HG SER A 89 71.050 -14.601 10.779 1.00 7.59 H new TER 1365 SER A 89