USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 610 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 88:sc= -0.518! USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0.911 USER MOD Set 2.1: A 60 MET CE :methyl -157:sc= 0 (180deg=0) USER MOD Set 2.2: A 84 SER OG : rot 116:sc= 0 USER MOD Set 3.1: A 45 MET CE :methyl 139:sc= -3.56 (180deg=-4.36!) USER MOD Set 3.2: A 50 GLN : amide:sc= -2.38 K(o=-5.9,f=-6.7!) USER MOD Single : A 5 TYR OH : rot 30:sc= 0.691 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.808 K(o=-0.81,f=-0.16) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00818 USER MOD Single : A 16 GLN : amide:sc= -3.78! C(o=-3.8!,f=-9.8!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.28) USER MOD Single : A 21 LYS NZ :NH3+ 156:sc= -0.03 (180deg=-0.0814) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 121:sc= -8.14! USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0822) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -121:sc= -3.66 (180deg=-10.1!) USER MOD Single : A 51 ASN : amide:sc= -0.119 K(o=-0.12,f=-2!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 58 GLN : amide:sc= -3.7! C(o=-3.7!,f=-2.6!) USER MOD Single : A 80 MET CE :methyl -149:sc= -1.93 (180deg=-4.02!) USER MOD Single : A 81 MET CE :methyl 145:sc= -0.363 (180deg=-1.6!) USER MOD Single : A 85 MET CE :methyl -110:sc= -0.761 (180deg=-4.34!) USER MOD ----------------------------------------------------------------- ATOM 44 N TYR A 5 70.182 12.676 1.048 1.00 0.88 N ATOM 45 CA TYR A 5 70.878 11.549 0.369 1.00 0.86 C ATOM 46 C TYR A 5 70.333 11.381 -1.050 1.00 0.78 C ATOM 47 O TYR A 5 70.686 10.457 -1.757 1.00 0.79 O ATOM 48 CB TYR A 5 70.563 10.321 1.221 1.00 1.02 C ATOM 49 CG TYR A 5 71.109 10.527 2.614 1.00 1.22 C ATOM 50 CD1 TYR A 5 70.326 11.160 3.586 1.00 1.64 C ATOM 51 CD2 TYR A 5 72.399 10.083 2.932 1.00 1.94 C ATOM 52 CE1 TYR A 5 70.832 11.352 4.877 1.00 1.80 C ATOM 53 CE2 TYR A 5 72.905 10.274 4.223 1.00 2.20 C ATOM 54 CZ TYR A 5 72.121 10.907 5.195 1.00 1.77 C ATOM 55 OH TYR A 5 72.620 11.095 6.469 1.00 2.07 O ATOM 0 HA TYR A 5 71.952 11.712 0.279 1.00 0.86 H new ATOM 0 HB2 TYR A 5 69.486 10.158 1.261 1.00 1.02 H new ATOM 0 HB3 TYR A 5 71.004 9.430 0.773 1.00 1.02 H new ATOM 0 HD1 TYR A 5 69.331 11.500 3.340 1.00 1.64 H new ATOM 0 HD2 TYR A 5 73.003 9.594 2.182 1.00 1.94 H new ATOM 0 HE1 TYR A 5 70.229 11.843 5.627 1.00 1.80 H new ATOM 0 HE2 TYR A 5 73.900 9.933 4.469 1.00 2.20 H new ATOM 0 HH TYR A 5 71.882 11.088 7.114 1.00 2.07 H new ATOM 65 N LYS A 6 69.477 12.272 -1.476 1.00 0.89 N ATOM 66 CA LYS A 6 68.914 12.167 -2.851 1.00 1.01 C ATOM 67 C LYS A 6 69.887 12.784 -3.858 1.00 0.98 C ATOM 68 O LYS A 6 70.083 12.273 -4.942 1.00 1.00 O ATOM 69 CB LYS A 6 67.609 12.962 -2.807 1.00 1.28 C ATOM 70 CG LYS A 6 67.121 13.220 -4.235 1.00 1.60 C ATOM 71 CD LYS A 6 67.219 14.715 -4.545 1.00 2.04 C ATOM 72 CE LYS A 6 65.816 15.286 -4.760 1.00 2.60 C ATOM 73 NZ LYS A 6 65.680 16.366 -3.743 1.00 3.24 N ATOM 0 H LYS A 6 69.144 13.067 -0.930 1.00 0.89 H new ATOM 0 HA LYS A 6 68.747 11.134 -3.156 1.00 1.01 H new ATOM 0 HB2 LYS A 6 66.854 12.411 -2.247 1.00 1.28 H new ATOM 0 HB3 LYS A 6 67.764 13.908 -2.288 1.00 1.28 H new ATOM 0 HG2 LYS A 6 67.721 12.650 -4.944 1.00 1.60 H new ATOM 0 HG3 LYS A 6 66.091 12.882 -4.345 1.00 1.60 H new ATOM 0 HD2 LYS A 6 67.713 15.235 -3.724 1.00 2.04 H new ATOM 0 HD3 LYS A 6 67.828 14.873 -5.435 1.00 2.04 H new ATOM 0 HE2 LYS A 6 65.700 15.678 -5.770 1.00 2.60 H new ATOM 0 HE3 LYS A 6 65.053 14.519 -4.626 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 64.742 16.806 -3.828 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 65.788 15.962 -2.791 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 66.415 17.085 -3.900 1.00 3.24 H new ATOM 87 N ALA A 7 70.504 13.877 -3.502 1.00 1.07 N ATOM 88 CA ALA A 7 71.471 14.523 -4.434 1.00 1.20 C ATOM 89 C ALA A 7 72.457 13.479 -4.960 1.00 1.08 C ATOM 90 O ALA A 7 72.859 13.510 -6.106 1.00 1.19 O ATOM 91 CB ALA A 7 72.195 15.571 -3.588 1.00 1.36 C ATOM 0 H ALA A 7 70.381 14.350 -2.607 1.00 1.07 H new ATOM 0 HA ALA A 7 70.984 14.970 -5.300 1.00 1.20 H new ATOM 0 HB1 ALA A 7 72.927 16.093 -4.204 1.00 1.36 H new ATOM 0 HB2 ALA A 7 71.472 16.287 -3.199 1.00 1.36 H new ATOM 0 HB3 ALA A 7 72.703 15.081 -2.758 1.00 1.36 H new ATOM 97 N ALA A 8 72.843 12.547 -4.131 1.00 0.95 N ATOM 98 CA ALA A 8 73.797 11.495 -4.581 1.00 0.96 C ATOM 99 C ALA A 8 73.051 10.416 -5.370 1.00 0.90 C ATOM 100 O ALA A 8 73.498 9.971 -6.408 1.00 1.01 O ATOM 101 CB ALA A 8 74.382 10.912 -3.293 1.00 0.98 C ATOM 0 H ALA A 8 72.538 12.469 -3.161 1.00 0.95 H new ATOM 0 HA ALA A 8 74.574 11.891 -5.236 1.00 0.96 H new ATOM 0 HB1 ALA A 8 75.097 10.127 -3.541 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.887 11.700 -2.734 1.00 0.98 H new ATOM 0 HB3 ALA A 8 73.579 10.493 -2.686 1.00 0.98 H new ATOM 107 N VAL A 9 71.913 9.996 -4.886 1.00 0.83 N ATOM 108 CA VAL A 9 71.136 8.950 -5.611 1.00 0.82 C ATOM 109 C VAL A 9 70.698 9.480 -6.978 1.00 0.97 C ATOM 110 O VAL A 9 70.439 8.724 -7.894 1.00 1.02 O ATOM 111 CB VAL A 9 69.922 8.672 -4.724 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.905 7.831 -5.497 1.00 1.05 C ATOM 113 CG2 VAL A 9 70.370 7.909 -3.474 1.00 0.70 C ATOM 0 H VAL A 9 71.489 10.331 -4.021 1.00 0.83 H new ATOM 0 HA VAL A 9 71.719 8.047 -5.791 1.00 0.82 H new ATOM 0 HB VAL A 9 69.463 9.616 -4.431 1.00 0.84 H new ATOM 0 HG11 VAL A 9 68.040 7.633 -4.864 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.587 8.373 -6.388 1.00 1.05 H new ATOM 0 HG13 VAL A 9 69.363 6.886 -5.791 1.00 1.05 H new ATOM 0 HG21 VAL A 9 69.506 7.710 -2.840 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.829 6.965 -3.769 1.00 0.70 H new ATOM 0 HG23 VAL A 9 71.094 8.508 -2.922 1.00 0.70 H new ATOM 123 N GLU A 10 70.618 10.774 -7.124 1.00 1.12 N ATOM 124 CA GLU A 10 70.204 11.354 -8.433 1.00 1.32 C ATOM 125 C GLU A 10 71.339 11.212 -9.449 1.00 1.37 C ATOM 126 O GLU A 10 71.120 11.194 -10.644 1.00 1.56 O ATOM 127 CB GLU A 10 69.924 12.830 -8.144 1.00 1.51 C ATOM 128 CG GLU A 10 68.433 13.023 -7.860 1.00 1.80 C ATOM 129 CD GLU A 10 67.742 13.567 -9.112 1.00 2.02 C ATOM 130 OE1 GLU A 10 67.337 12.764 -9.937 1.00 2.61 O ATOM 131 OE2 GLU A 10 67.629 14.776 -9.223 1.00 2.28 O ATOM 0 H GLU A 10 70.822 11.455 -6.393 1.00 1.12 H new ATOM 0 HA GLU A 10 69.333 10.851 -8.853 1.00 1.32 H new ATOM 0 HB2 GLU A 10 70.513 13.162 -7.289 1.00 1.51 H new ATOM 0 HB3 GLU A 10 70.225 13.441 -8.995 1.00 1.51 H new ATOM 0 HG2 GLU A 10 67.982 12.075 -7.566 1.00 1.80 H new ATOM 0 HG3 GLU A 10 68.297 13.713 -7.027 1.00 1.80 H new ATOM 138 N GLN A 11 72.553 11.108 -8.980 1.00 1.29 N ATOM 139 CA GLN A 11 73.705 10.963 -9.915 1.00 1.45 C ATOM 140 C GLN A 11 73.978 9.481 -10.187 1.00 1.35 C ATOM 141 O GLN A 11 75.057 9.104 -10.601 1.00 1.53 O ATOM 142 CB GLN A 11 74.888 11.599 -9.186 1.00 1.61 C ATOM 143 CG GLN A 11 75.254 12.923 -9.858 1.00 2.13 C ATOM 144 CD GLN A 11 75.286 14.036 -8.811 1.00 2.44 C ATOM 145 OE1 GLN A 11 74.957 15.169 -9.100 1.00 2.96 O ATOM 146 NE2 GLN A 11 75.673 13.760 -7.595 1.00 2.71 N ATOM 0 H GLN A 11 72.797 11.117 -7.990 1.00 1.29 H new ATOM 0 HA GLN A 11 73.518 11.436 -10.879 1.00 1.45 H new ATOM 0 HB2 GLN A 11 74.634 11.769 -8.140 1.00 1.61 H new ATOM 0 HB3 GLN A 11 75.743 10.923 -9.201 1.00 1.61 H new ATOM 0 HG2 GLN A 11 76.226 12.839 -10.345 1.00 2.13 H new ATOM 0 HG3 GLN A 11 74.528 13.161 -10.635 1.00 2.13 H new ATOM 0 HE21 GLN A 11 75.949 12.809 -7.351 1.00 2.71 H new ATOM 0 HE22 GLN A 11 75.699 14.495 -6.889 1.00 2.71 H new ATOM 155 N LEU A 12 73.009 8.639 -9.955 1.00 1.18 N ATOM 156 CA LEU A 12 73.213 7.181 -10.197 1.00 1.21 C ATOM 157 C LEU A 12 73.286 6.897 -11.699 1.00 1.11 C ATOM 158 O LEU A 12 73.220 7.795 -12.515 1.00 1.25 O ATOM 159 CB LEU A 12 71.987 6.503 -9.586 1.00 1.32 C ATOM 160 CG LEU A 12 72.282 6.110 -8.139 1.00 1.38 C ATOM 161 CD1 LEU A 12 71.099 5.318 -7.578 1.00 1.49 C ATOM 162 CD2 LEU A 12 73.542 5.242 -8.091 1.00 1.68 C ATOM 0 H LEU A 12 72.085 8.896 -9.608 1.00 1.18 H new ATOM 0 HA LEU A 12 74.143 6.818 -9.759 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.131 7.177 -9.622 1.00 1.32 H new ATOM 0 HB3 LEU A 12 71.722 5.619 -10.166 1.00 1.32 H new ATOM 0 HG LEU A 12 72.437 7.009 -7.543 1.00 1.38 H new ATOM 0 HD11 LEU A 12 71.307 5.036 -6.546 1.00 1.49 H new ATOM 0 HD12 LEU A 12 70.200 5.933 -7.612 1.00 1.49 H new ATOM 0 HD13 LEU A 12 70.947 4.419 -8.176 1.00 1.49 H new ATOM 0 HD21 LEU A 12 73.752 4.962 -7.059 1.00 1.68 H new ATOM 0 HD22 LEU A 12 73.387 4.342 -8.687 1.00 1.68 H new ATOM 0 HD23 LEU A 12 74.386 5.803 -8.494 1.00 1.68 H new ATOM 174 N THR A 13 73.419 5.653 -12.070 1.00 1.05 N ATOM 175 CA THR A 13 73.493 5.309 -13.519 1.00 1.13 C ATOM 176 C THR A 13 72.316 4.411 -13.906 1.00 0.94 C ATOM 177 O THR A 13 71.797 3.669 -13.097 1.00 0.87 O ATOM 178 CB THR A 13 74.818 4.560 -13.689 1.00 1.38 C ATOM 179 OG1 THR A 13 75.414 4.348 -12.416 1.00 1.89 O ATOM 180 CG2 THR A 13 75.762 5.385 -14.564 1.00 1.68 C ATOM 0 H THR A 13 73.480 4.859 -11.432 1.00 1.05 H new ATOM 0 HA THR A 13 73.445 6.193 -14.155 1.00 1.13 H new ATOM 0 HB THR A 13 74.630 3.597 -14.164 1.00 1.38 H new ATOM 0 HG1 THR A 13 76.261 3.867 -12.527 1.00 1.89 H new ATOM 0 HG21 THR A 13 76.705 4.852 -14.685 1.00 1.68 H new ATOM 0 HG22 THR A 13 75.307 5.543 -15.542 1.00 1.68 H new ATOM 0 HG23 THR A 13 75.948 6.349 -14.090 1.00 1.68 H new ATOM 188 N GLU A 14 71.890 4.473 -15.137 1.00 0.94 N ATOM 189 CA GLU A 14 70.745 3.624 -15.575 1.00 0.90 C ATOM 190 C GLU A 14 70.932 2.186 -15.080 1.00 0.82 C ATOM 191 O GLU A 14 69.978 1.477 -14.833 1.00 0.82 O ATOM 192 CB GLU A 14 70.776 3.676 -17.102 1.00 1.05 C ATOM 193 CG GLU A 14 69.660 2.796 -17.667 1.00 2.10 C ATOM 194 CD GLU A 14 68.640 3.671 -18.399 1.00 2.64 C ATOM 195 OE1 GLU A 14 67.895 4.366 -17.727 1.00 2.91 O ATOM 196 OE2 GLU A 14 68.623 3.632 -19.618 1.00 3.31 O ATOM 0 H GLU A 14 72.285 5.075 -15.860 1.00 0.94 H new ATOM 0 HA GLU A 14 69.793 3.974 -15.175 1.00 0.90 H new ATOM 0 HB2 GLU A 14 70.651 4.703 -17.444 1.00 1.05 H new ATOM 0 HB3 GLU A 14 71.744 3.334 -17.468 1.00 1.05 H new ATOM 0 HG2 GLU A 14 70.077 2.056 -18.350 1.00 2.10 H new ATOM 0 HG3 GLU A 14 69.172 2.247 -16.861 1.00 2.10 H new ATOM 203 N GLU A 15 72.153 1.751 -14.936 1.00 0.92 N ATOM 204 CA GLU A 15 72.396 0.359 -14.458 1.00 1.01 C ATOM 205 C GLU A 15 72.164 0.272 -12.947 1.00 0.90 C ATOM 206 O GLU A 15 71.993 -0.798 -12.396 1.00 0.89 O ATOM 207 CB GLU A 15 73.860 0.075 -14.793 1.00 1.23 C ATOM 208 CG GLU A 15 74.056 -1.431 -14.987 1.00 1.92 C ATOM 209 CD GLU A 15 74.906 -1.680 -16.234 1.00 2.37 C ATOM 210 OE1 GLU A 15 74.557 -1.159 -17.280 1.00 2.90 O ATOM 211 OE2 GLU A 15 75.892 -2.391 -16.122 1.00 2.80 O ATOM 0 H GLU A 15 72.993 2.297 -15.128 1.00 0.92 H new ATOM 0 HA GLU A 15 71.725 -0.362 -14.925 1.00 1.01 H new ATOM 0 HB2 GLU A 15 74.147 0.610 -15.698 1.00 1.23 H new ATOM 0 HB3 GLU A 15 74.504 0.436 -13.991 1.00 1.23 H new ATOM 0 HG2 GLU A 15 74.542 -1.861 -14.111 1.00 1.92 H new ATOM 0 HG3 GLU A 15 73.089 -1.924 -15.089 1.00 1.92 H new ATOM 218 N GLN A 16 72.157 1.390 -12.272 1.00 0.89 N ATOM 219 CA GLN A 16 71.936 1.371 -10.798 1.00 0.87 C ATOM 220 C GLN A 16 70.438 1.383 -10.488 1.00 0.68 C ATOM 221 O GLN A 16 69.964 0.653 -9.640 1.00 0.67 O ATOM 222 CB GLN A 16 72.602 2.646 -10.283 1.00 0.97 C ATOM 223 CG GLN A 16 74.110 2.423 -10.158 1.00 1.77 C ATOM 224 CD GLN A 16 74.394 1.522 -8.954 1.00 2.15 C ATOM 225 OE1 GLN A 16 73.565 0.722 -8.570 1.00 2.42 O ATOM 226 NE2 GLN A 16 75.541 1.618 -8.338 1.00 2.61 N ATOM 0 H GLN A 16 72.295 2.315 -12.678 1.00 0.89 H new ATOM 0 HA GLN A 16 72.349 0.478 -10.329 1.00 0.87 H new ATOM 0 HB2 GLN A 16 72.402 3.473 -10.964 1.00 0.97 H new ATOM 0 HB3 GLN A 16 72.183 2.921 -9.315 1.00 0.97 H new ATOM 0 HG2 GLN A 16 74.497 1.965 -11.068 1.00 1.77 H new ATOM 0 HG3 GLN A 16 74.621 3.378 -10.040 1.00 1.77 H new ATOM 0 HE21 GLN A 16 76.238 2.290 -8.660 1.00 2.61 H new ATOM 0 HE22 GLN A 16 75.740 1.021 -7.535 1.00 2.61 H new ATOM 235 N LYS A 17 69.687 2.207 -11.167 1.00 0.63 N ATOM 236 CA LYS A 17 68.220 2.263 -10.907 1.00 0.62 C ATOM 237 C LYS A 17 67.533 1.028 -11.496 1.00 0.60 C ATOM 238 O LYS A 17 66.506 0.589 -11.019 1.00 0.66 O ATOM 239 CB LYS A 17 67.738 3.533 -11.609 1.00 0.74 C ATOM 240 CG LYS A 17 68.604 4.718 -11.176 1.00 1.21 C ATOM 241 CD LYS A 17 67.717 5.805 -10.566 1.00 1.31 C ATOM 242 CE LYS A 17 68.594 6.837 -9.848 1.00 1.43 C ATOM 243 NZ LYS A 17 67.649 7.881 -9.354 1.00 2.06 N ATOM 0 H LYS A 17 70.025 2.843 -11.889 1.00 0.63 H new ATOM 0 HA LYS A 17 67.990 2.277 -9.842 1.00 0.62 H new ATOM 0 HB2 LYS A 17 67.792 3.406 -12.690 1.00 0.74 H new ATOM 0 HB3 LYS A 17 66.694 3.723 -11.362 1.00 0.74 H new ATOM 0 HG2 LYS A 17 69.348 4.391 -10.450 1.00 1.21 H new ATOM 0 HG3 LYS A 17 69.148 5.116 -12.033 1.00 1.21 H new ATOM 0 HD2 LYS A 17 67.130 6.290 -11.346 1.00 1.31 H new ATOM 0 HD3 LYS A 17 67.010 5.362 -9.865 1.00 1.31 H new ATOM 0 HE2 LYS A 17 69.143 6.381 -9.024 1.00 1.43 H new ATOM 0 HE3 LYS A 17 69.333 7.264 -10.525 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 68.180 8.621 -8.852 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 67.146 8.303 -10.160 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 66.961 7.448 -8.705 1.00 2.06 H new ATOM 257 N ASN A 18 68.094 0.463 -12.531 1.00 0.70 N ATOM 258 CA ASN A 18 67.475 -0.744 -13.150 1.00 0.85 C ATOM 259 C ASN A 18 67.578 -1.936 -12.196 1.00 0.70 C ATOM 260 O ASN A 18 66.691 -2.765 -12.124 1.00 0.66 O ATOM 261 CB ASN A 18 68.286 -1.001 -14.419 1.00 1.11 C ATOM 262 CG ASN A 18 67.685 -0.204 -15.578 1.00 1.68 C ATOM 263 OD1 ASN A 18 67.658 -0.668 -16.701 1.00 2.15 O ATOM 264 ND2 ASN A 18 67.199 0.986 -15.352 1.00 2.13 N ATOM 0 H ASN A 18 68.954 0.785 -12.975 1.00 0.70 H new ATOM 0 HA ASN A 18 66.417 -0.600 -13.367 1.00 0.85 H new ATOM 0 HB2 ASN A 18 69.325 -0.711 -14.264 1.00 1.11 H new ATOM 0 HB3 ASN A 18 68.284 -2.065 -14.656 1.00 1.11 H new ATOM 0 HD21 ASN A 18 66.797 1.526 -16.118 1.00 2.13 H new ATOM 0 HD22 ASN A 18 67.222 1.376 -14.410 1.00 2.13 H new ATOM 271 N GLU A 19 68.652 -2.029 -11.461 1.00 0.76 N ATOM 272 CA GLU A 19 68.812 -3.167 -10.511 1.00 0.79 C ATOM 273 C GLU A 19 67.987 -2.916 -9.246 1.00 0.65 C ATOM 274 O GLU A 19 67.159 -3.719 -8.864 1.00 0.66 O ATOM 275 CB GLU A 19 70.304 -3.200 -10.183 1.00 0.98 C ATOM 276 CG GLU A 19 70.900 -4.532 -10.645 1.00 1.21 C ATOM 277 CD GLU A 19 72.223 -4.778 -9.916 1.00 1.82 C ATOM 278 OE1 GLU A 19 73.164 -4.046 -10.175 1.00 2.44 O ATOM 279 OE2 GLU A 19 72.273 -5.695 -9.112 1.00 2.53 O ATOM 0 H GLU A 19 69.427 -1.366 -11.477 1.00 0.76 H new ATOM 0 HA GLU A 19 68.468 -4.112 -10.932 1.00 0.79 H new ATOM 0 HB2 GLU A 19 70.814 -2.372 -10.675 1.00 0.98 H new ATOM 0 HB3 GLU A 19 70.454 -3.075 -9.111 1.00 0.98 H new ATOM 0 HG2 GLU A 19 70.203 -5.345 -10.441 1.00 1.21 H new ATOM 0 HG3 GLU A 19 71.064 -4.515 -11.723 1.00 1.21 H new ATOM 286 N PHE A 20 68.207 -1.808 -8.592 1.00 0.67 N ATOM 287 CA PHE A 20 67.436 -1.507 -7.352 1.00 0.75 C ATOM 288 C PHE A 20 65.938 -1.707 -7.596 1.00 0.66 C ATOM 289 O PHE A 20 65.310 -2.553 -6.992 1.00 0.79 O ATOM 290 CB PHE A 20 67.744 -0.040 -7.041 1.00 0.97 C ATOM 291 CG PHE A 20 69.231 0.140 -6.819 1.00 1.44 C ATOM 292 CD1 PHE A 20 70.045 -0.966 -6.536 1.00 2.24 C ATOM 293 CD2 PHE A 20 69.796 1.419 -6.897 1.00 2.35 C ATOM 294 CE1 PHE A 20 71.419 -0.791 -6.331 1.00 3.29 C ATOM 295 CE2 PHE A 20 71.171 1.593 -6.692 1.00 3.36 C ATOM 296 CZ PHE A 20 71.981 0.487 -6.408 1.00 3.69 C ATOM 0 H PHE A 20 68.887 -1.098 -8.863 1.00 0.67 H new ATOM 0 HA PHE A 20 67.709 -2.163 -6.526 1.00 0.75 H new ATOM 0 HB2 PHE A 20 67.411 0.593 -7.864 1.00 0.97 H new ATOM 0 HB3 PHE A 20 67.194 0.276 -6.154 1.00 0.97 H new ATOM 0 HD1 PHE A 20 69.612 -1.954 -6.476 1.00 2.24 H new ATOM 0 HD2 PHE A 20 69.171 2.272 -7.115 1.00 2.35 H new ATOM 0 HE1 PHE A 20 72.045 -1.644 -6.113 1.00 3.29 H new ATOM 0 HE2 PHE A 20 71.606 2.580 -6.753 1.00 3.36 H new ATOM 0 HZ PHE A 20 73.041 0.621 -6.248 1.00 3.69 H new ATOM 306 N LYS A 21 65.359 -0.937 -8.477 1.00 0.60 N ATOM 307 CA LYS A 21 63.901 -1.091 -8.754 1.00 0.65 C ATOM 308 C LYS A 21 63.588 -2.541 -9.131 1.00 0.57 C ATOM 309 O LYS A 21 62.567 -3.083 -8.761 1.00 0.57 O ATOM 310 CB LYS A 21 63.620 -0.157 -9.931 1.00 0.78 C ATOM 311 CG LYS A 21 62.989 1.138 -9.416 1.00 1.27 C ATOM 312 CD LYS A 21 64.064 2.002 -8.754 1.00 1.58 C ATOM 313 CE LYS A 21 64.407 3.181 -9.669 1.00 2.42 C ATOM 314 NZ LYS A 21 63.236 4.102 -9.583 1.00 2.88 N ATOM 0 H LYS A 21 65.830 -0.210 -9.016 1.00 0.60 H new ATOM 0 HA LYS A 21 63.287 -0.848 -7.887 1.00 0.65 H new ATOM 0 HB2 LYS A 21 64.545 0.063 -10.463 1.00 0.78 H new ATOM 0 HB3 LYS A 21 62.951 -0.642 -10.642 1.00 0.78 H new ATOM 0 HG2 LYS A 21 62.526 1.682 -10.239 1.00 1.27 H new ATOM 0 HG3 LYS A 21 62.199 0.910 -8.701 1.00 1.27 H new ATOM 0 HD2 LYS A 21 63.709 2.367 -7.790 1.00 1.58 H new ATOM 0 HD3 LYS A 21 64.956 1.406 -8.561 1.00 1.58 H new ATOM 0 HE2 LYS A 21 65.322 3.677 -9.345 1.00 2.42 H new ATOM 0 HE3 LYS A 21 64.571 2.848 -10.694 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 63.536 5.068 -9.825 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 62.500 3.791 -10.248 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 62.855 4.090 -8.615 1.00 2.88 H new ATOM 328 N ALA A 22 64.466 -3.173 -9.862 1.00 0.59 N ATOM 329 CA ALA A 22 64.223 -4.590 -10.258 1.00 0.62 C ATOM 330 C ALA A 22 64.360 -5.498 -9.035 1.00 0.50 C ATOM 331 O ALA A 22 63.430 -6.177 -8.646 1.00 0.50 O ATOM 332 CB ALA A 22 65.307 -4.906 -11.289 1.00 0.76 C ATOM 0 H ALA A 22 65.339 -2.770 -10.202 1.00 0.59 H new ATOM 0 HA ALA A 22 63.224 -4.746 -10.664 1.00 0.62 H new ATOM 0 HB1 ALA A 22 65.196 -5.935 -11.630 1.00 0.76 H new ATOM 0 HB2 ALA A 22 65.210 -4.229 -12.138 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.290 -4.779 -10.834 1.00 0.76 H new ATOM 338 N ALA A 23 65.511 -5.509 -8.419 1.00 0.50 N ATOM 339 CA ALA A 23 65.700 -6.368 -7.215 1.00 0.53 C ATOM 340 C ALA A 23 64.627 -6.038 -6.176 1.00 0.46 C ATOM 341 O ALA A 23 63.965 -6.914 -5.652 1.00 0.52 O ATOM 342 CB ALA A 23 67.090 -6.014 -6.687 1.00 0.64 C ATOM 0 H ALA A 23 66.326 -4.962 -8.696 1.00 0.50 H new ATOM 0 HA ALA A 23 65.616 -7.431 -7.441 1.00 0.53 H new ATOM 0 HB1 ALA A 23 67.303 -6.607 -5.798 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.835 -6.227 -7.453 1.00 0.64 H new ATOM 0 HB3 ALA A 23 67.124 -4.955 -6.433 1.00 0.64 H new ATOM 348 N PHE A 24 64.444 -4.780 -5.880 1.00 0.47 N ATOM 349 CA PHE A 24 63.408 -4.391 -4.884 1.00 0.57 C ATOM 350 C PHE A 24 62.121 -5.174 -5.147 1.00 0.48 C ATOM 351 O PHE A 24 61.677 -5.953 -4.327 1.00 0.51 O ATOM 352 CB PHE A 24 63.187 -2.896 -5.114 1.00 0.77 C ATOM 353 CG PHE A 24 62.058 -2.406 -4.240 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.730 -2.655 -4.607 1.00 1.54 C ATOM 355 CD2 PHE A 24 62.337 -1.701 -3.063 1.00 1.58 C ATOM 356 CE1 PHE A 24 59.683 -2.199 -3.800 1.00 1.62 C ATOM 357 CE2 PHE A 24 61.289 -1.245 -2.255 1.00 1.72 C ATOM 358 CZ PHE A 24 59.962 -1.494 -2.623 1.00 1.25 C ATOM 0 H PHE A 24 64.968 -4.005 -6.286 1.00 0.47 H new ATOM 0 HA PHE A 24 63.708 -4.603 -3.858 1.00 0.57 H new ATOM 0 HB2 PHE A 24 64.100 -2.345 -4.888 1.00 0.77 H new ATOM 0 HB3 PHE A 24 62.954 -2.710 -6.163 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.514 -3.200 -5.514 1.00 1.54 H new ATOM 0 HD2 PHE A 24 63.361 -1.509 -2.778 1.00 1.58 H new ATOM 0 HE1 PHE A 24 58.659 -2.391 -4.085 1.00 1.62 H new ATOM 0 HE2 PHE A 24 61.505 -0.701 -1.347 1.00 1.72 H new ATOM 0 HZ PHE A 24 59.153 -1.142 -1.999 1.00 1.25 H new ATOM 368 N ASP A 25 61.526 -4.982 -6.292 1.00 0.45 N ATOM 369 CA ASP A 25 60.275 -5.724 -6.615 1.00 0.53 C ATOM 370 C ASP A 25 60.491 -7.223 -6.388 1.00 0.52 C ATOM 371 O ASP A 25 59.720 -7.877 -5.713 1.00 0.60 O ATOM 372 CB ASP A 25 60.013 -5.437 -8.093 1.00 0.66 C ATOM 373 CG ASP A 25 58.544 -5.714 -8.416 1.00 0.98 C ATOM 374 OD1 ASP A 25 58.034 -6.718 -7.946 1.00 1.52 O ATOM 375 OD2 ASP A 25 57.953 -4.916 -9.126 1.00 1.55 O ATOM 0 H ASP A 25 61.852 -4.344 -7.018 1.00 0.45 H new ATOM 0 HA ASP A 25 59.435 -5.420 -5.990 1.00 0.53 H new ATOM 0 HB2 ASP A 25 60.257 -4.399 -8.321 1.00 0.66 H new ATOM 0 HB3 ASP A 25 60.656 -6.060 -8.715 1.00 0.66 H new ATOM 380 N ILE A 26 61.539 -7.769 -6.941 1.00 0.50 N ATOM 381 CA ILE A 26 61.810 -9.223 -6.751 1.00 0.63 C ATOM 382 C ILE A 26 61.793 -9.561 -5.259 1.00 0.70 C ATOM 383 O ILE A 26 61.291 -10.588 -4.849 1.00 0.94 O ATOM 384 CB ILE A 26 63.206 -9.445 -7.335 1.00 0.68 C ATOM 385 CG1 ILE A 26 63.188 -9.135 -8.834 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.622 -10.901 -7.124 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.618 -8.895 -9.323 1.00 0.69 C ATOM 0 H ILE A 26 62.219 -7.272 -7.516 1.00 0.50 H new ATOM 0 HA ILE A 26 61.064 -9.854 -7.234 1.00 0.63 H new ATOM 0 HB ILE A 26 63.916 -8.787 -6.835 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.739 -9.963 -9.382 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.574 -8.255 -9.027 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.617 -11.059 -7.540 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.635 -11.125 -6.057 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.911 -11.559 -7.624 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.605 -8.674 -10.390 1.00 0.69 H new ATOM 0 HD12 ILE A 26 65.050 -8.052 -8.783 1.00 0.69 H new ATOM 0 HD13 ILE A 26 65.218 -9.787 -9.144 1.00 0.69 H new ATOM 399 N PHE A 27 62.337 -8.697 -4.445 1.00 0.61 N ATOM 400 CA PHE A 27 62.354 -8.959 -2.978 1.00 0.79 C ATOM 401 C PHE A 27 61.035 -8.508 -2.349 1.00 0.76 C ATOM 402 O PHE A 27 60.669 -8.940 -1.274 1.00 1.03 O ATOM 403 CB PHE A 27 63.511 -8.118 -2.439 1.00 0.91 C ATOM 404 CG PHE A 27 64.819 -8.815 -2.721 1.00 1.45 C ATOM 405 CD1 PHE A 27 65.109 -10.037 -2.104 1.00 2.23 C ATOM 406 CD2 PHE A 27 65.743 -8.236 -3.599 1.00 2.07 C ATOM 407 CE1 PHE A 27 66.324 -10.681 -2.365 1.00 3.07 C ATOM 408 CE2 PHE A 27 66.957 -8.881 -3.861 1.00 2.83 C ATOM 409 CZ PHE A 27 67.248 -10.104 -3.244 1.00 3.21 C ATOM 0 H PHE A 27 62.771 -7.820 -4.734 1.00 0.61 H new ATOM 0 HA PHE A 27 62.475 -10.018 -2.749 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.505 -7.132 -2.905 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.393 -7.965 -1.366 1.00 0.91 H new ATOM 0 HD1 PHE A 27 64.396 -10.483 -1.427 1.00 2.23 H new ATOM 0 HD2 PHE A 27 65.519 -7.292 -4.074 1.00 2.07 H new ATOM 0 HE1 PHE A 27 66.549 -11.624 -1.888 1.00 3.07 H new ATOM 0 HE2 PHE A 27 67.670 -8.435 -4.539 1.00 2.83 H new ATOM 0 HZ PHE A 27 68.185 -10.602 -3.446 1.00 3.21 H new ATOM 419 N VAL A 28 60.320 -7.636 -3.006 1.00 0.63 N ATOM 420 CA VAL A 28 59.031 -7.156 -2.436 1.00 0.65 C ATOM 421 C VAL A 28 57.896 -8.118 -2.803 1.00 0.65 C ATOM 422 O VAL A 28 56.744 -7.854 -2.530 1.00 0.74 O ATOM 423 CB VAL A 28 58.829 -5.753 -3.040 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.496 -5.653 -3.795 1.00 1.10 C ATOM 425 CG2 VAL A 28 58.841 -4.724 -1.911 1.00 1.47 C ATOM 0 H VAL A 28 60.572 -7.237 -3.910 1.00 0.63 H new ATOM 0 HA VAL A 28 59.037 -7.114 -1.347 1.00 0.65 H new ATOM 0 HB VAL A 28 59.636 -5.563 -3.747 1.00 0.68 H new ATOM 0 HG11 VAL A 28 57.386 -4.650 -4.208 1.00 1.10 H new ATOM 0 HG12 VAL A 28 57.481 -6.383 -4.605 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.673 -5.855 -3.109 1.00 1.10 H new ATOM 0 HG21 VAL A 28 58.699 -3.726 -2.326 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.036 -4.943 -1.210 1.00 1.47 H new ATOM 0 HG23 VAL A 28 59.797 -4.767 -1.390 1.00 1.47 H new ATOM 435 N LEU A 29 58.211 -9.231 -3.410 1.00 0.92 N ATOM 436 CA LEU A 29 57.137 -10.198 -3.776 1.00 0.99 C ATOM 437 C LEU A 29 56.282 -10.489 -2.541 1.00 0.99 C ATOM 438 O LEU A 29 56.565 -11.388 -1.773 1.00 1.10 O ATOM 439 CB LEU A 29 57.872 -11.457 -4.236 1.00 1.43 C ATOM 440 CG LEU A 29 57.698 -11.625 -5.746 1.00 1.74 C ATOM 441 CD1 LEU A 29 56.212 -11.770 -6.077 1.00 2.11 C ATOM 442 CD2 LEU A 29 58.262 -10.395 -6.463 1.00 2.45 C ATOM 0 H LEU A 29 59.158 -9.511 -3.666 1.00 0.92 H new ATOM 0 HA LEU A 29 56.473 -9.820 -4.553 1.00 0.99 H new ATOM 0 HB2 LEU A 29 58.931 -11.385 -3.987 1.00 1.43 H new ATOM 0 HB3 LEU A 29 57.481 -12.331 -3.715 1.00 1.43 H new ATOM 0 HG LEU A 29 58.231 -12.516 -6.076 1.00 1.74 H new ATOM 0 HD11 LEU A 29 56.089 -11.890 -7.153 1.00 2.11 H new ATOM 0 HD12 LEU A 29 55.809 -12.645 -5.566 1.00 2.11 H new ATOM 0 HD13 LEU A 29 55.677 -10.879 -5.748 1.00 2.11 H new ATOM 0 HD21 LEU A 29 58.139 -10.513 -7.540 1.00 2.45 H new ATOM 0 HD22 LEU A 29 57.728 -9.504 -6.132 1.00 2.45 H new ATOM 0 HD23 LEU A 29 59.321 -10.291 -6.228 1.00 2.45 H new ATOM 454 N GLY A 30 55.250 -9.721 -2.333 1.00 1.16 N ATOM 455 CA GLY A 30 54.391 -9.932 -1.137 1.00 1.58 C ATOM 456 C GLY A 30 54.777 -8.907 -0.068 1.00 1.39 C ATOM 457 O GLY A 30 53.938 -8.207 0.462 1.00 1.89 O ATOM 0 H GLY A 30 54.964 -8.954 -2.942 1.00 1.16 H new ATOM 0 HA2 GLY A 30 53.340 -9.823 -1.403 1.00 1.58 H new ATOM 0 HA3 GLY A 30 54.519 -10.944 -0.754 1.00 1.58 H new ATOM 461 N ALA A 31 56.048 -8.809 0.237 1.00 0.90 N ATOM 462 CA ALA A 31 56.517 -7.828 1.262 1.00 0.95 C ATOM 463 C ALA A 31 55.493 -7.690 2.393 1.00 1.15 C ATOM 464 O ALA A 31 54.690 -8.569 2.632 1.00 1.41 O ATOM 465 CB ALA A 31 56.658 -6.507 0.502 1.00 0.97 C ATOM 0 H ALA A 31 56.786 -9.372 -0.185 1.00 0.90 H new ATOM 0 HA ALA A 31 57.452 -8.140 1.728 1.00 0.95 H new ATOM 0 HB1 ALA A 31 57.000 -5.729 1.185 1.00 0.97 H new ATOM 0 HB2 ALA A 31 57.382 -6.626 -0.304 1.00 0.97 H new ATOM 0 HB3 ALA A 31 55.692 -6.223 0.083 1.00 0.97 H new ATOM 471 N GLU A 32 55.514 -6.585 3.088 1.00 1.35 N ATOM 472 CA GLU A 32 54.542 -6.378 4.199 1.00 1.90 C ATOM 473 C GLU A 32 53.667 -5.160 3.894 1.00 2.05 C ATOM 474 O GLU A 32 52.542 -5.059 4.339 1.00 2.79 O ATOM 475 CB GLU A 32 55.401 -6.124 5.438 1.00 2.37 C ATOM 476 CG GLU A 32 54.869 -6.954 6.608 1.00 2.44 C ATOM 477 CD GLU A 32 55.973 -7.881 7.121 1.00 2.83 C ATOM 478 OE1 GLU A 32 56.862 -7.392 7.798 1.00 3.29 O ATOM 479 OE2 GLU A 32 55.910 -9.063 6.827 1.00 3.24 O ATOM 0 H GLU A 32 56.164 -5.815 2.934 1.00 1.35 H new ATOM 0 HA GLU A 32 53.877 -7.230 4.338 1.00 1.90 H new ATOM 0 HB2 GLU A 32 56.439 -6.387 5.234 1.00 2.37 H new ATOM 0 HB3 GLU A 32 55.385 -5.064 5.693 1.00 2.37 H new ATOM 0 HG2 GLU A 32 54.530 -6.297 7.409 1.00 2.44 H new ATOM 0 HG3 GLU A 32 54.007 -7.540 6.290 1.00 2.44 H new ATOM 486 N ASP A 33 54.183 -4.237 3.130 1.00 1.80 N ATOM 487 CA ASP A 33 53.397 -3.021 2.778 1.00 2.11 C ATOM 488 C ASP A 33 53.904 -2.444 1.454 1.00 1.47 C ATOM 489 O ASP A 33 53.758 -1.269 1.179 1.00 1.80 O ATOM 490 CB ASP A 33 53.648 -2.038 3.923 1.00 3.12 C ATOM 491 CG ASP A 33 52.331 -1.365 4.317 1.00 3.68 C ATOM 492 OD1 ASP A 33 51.300 -2.004 4.185 1.00 4.12 O ATOM 493 OD2 ASP A 33 52.377 -0.224 4.743 1.00 4.09 O ATOM 0 H ASP A 33 55.121 -4.273 2.732 1.00 1.80 H new ATOM 0 HA ASP A 33 52.335 -3.232 2.654 1.00 2.11 H new ATOM 0 HB2 ASP A 33 54.071 -2.562 4.780 1.00 3.12 H new ATOM 0 HB3 ASP A 33 54.376 -1.286 3.618 1.00 3.12 H new ATOM 498 N GLY A 34 54.504 -3.264 0.633 1.00 1.10 N ATOM 499 CA GLY A 34 55.027 -2.768 -0.671 1.00 1.40 C ATOM 500 C GLY A 34 56.430 -2.194 -0.468 1.00 1.17 C ATOM 501 O GLY A 34 56.795 -1.198 -1.059 1.00 1.39 O ATOM 0 H GLY A 34 54.654 -4.257 0.810 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.056 -3.580 -1.397 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.364 -2.003 -1.075 1.00 1.40 H new ATOM 505 N SER A 35 57.218 -2.816 0.366 1.00 0.84 N ATOM 506 CA SER A 35 58.598 -2.306 0.608 1.00 0.70 C ATOM 507 C SER A 35 59.491 -3.430 1.136 1.00 0.67 C ATOM 508 O SER A 35 59.034 -4.522 1.413 1.00 0.80 O ATOM 509 CB SER A 35 58.433 -1.212 1.663 1.00 0.75 C ATOM 510 OG SER A 35 57.368 -1.560 2.539 1.00 1.04 O ATOM 0 H SER A 35 56.966 -3.654 0.890 1.00 0.84 H new ATOM 0 HA SER A 35 59.066 -1.930 -0.301 1.00 0.70 H new ATOM 0 HB2 SER A 35 59.358 -1.092 2.227 1.00 0.75 H new ATOM 0 HB3 SER A 35 58.226 -0.256 1.182 1.00 0.75 H new ATOM 0 HG SER A 35 57.261 -0.861 3.218 1.00 1.04 H new ATOM 516 N ILE A 36 60.760 -3.173 1.283 1.00 0.69 N ATOM 517 CA ILE A 36 61.679 -4.229 1.800 1.00 0.78 C ATOM 518 C ILE A 36 62.301 -3.778 3.120 1.00 0.71 C ATOM 519 O ILE A 36 63.268 -3.043 3.145 1.00 0.98 O ATOM 520 CB ILE A 36 62.768 -4.419 0.733 1.00 1.00 C ATOM 521 CG1 ILE A 36 62.994 -3.116 -0.044 1.00 1.09 C ATOM 522 CG2 ILE A 36 62.338 -5.520 -0.236 1.00 1.36 C ATOM 523 CD1 ILE A 36 64.004 -3.360 -1.167 1.00 1.22 C ATOM 0 H ILE A 36 61.202 -2.279 1.068 1.00 0.69 H new ATOM 0 HA ILE A 36 61.148 -5.162 1.988 1.00 0.78 H new ATOM 0 HB ILE A 36 63.699 -4.698 1.226 1.00 1.00 H new ATOM 0 HG12 ILE A 36 62.051 -2.760 -0.459 1.00 1.09 H new ATOM 0 HG13 ILE A 36 63.361 -2.339 0.627 1.00 1.09 H new ATOM 0 HG21 ILE A 36 63.108 -5.658 -0.995 1.00 1.36 H new ATOM 0 HG22 ILE A 36 62.197 -6.452 0.312 1.00 1.36 H new ATOM 0 HG23 ILE A 36 61.402 -5.236 -0.717 1.00 1.36 H new ATOM 0 HD11 ILE A 36 64.165 -2.434 -1.719 1.00 1.22 H new ATOM 0 HD12 ILE A 36 64.949 -3.696 -0.740 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.619 -4.124 -1.843 1.00 1.22 H new ATOM 535 N SER A 37 61.754 -4.215 4.218 1.00 0.87 N ATOM 536 CA SER A 37 62.312 -3.811 5.538 1.00 0.87 C ATOM 537 C SER A 37 63.557 -4.638 5.858 1.00 0.76 C ATOM 538 O SER A 37 63.963 -5.491 5.095 1.00 0.87 O ATOM 539 CB SER A 37 61.201 -4.108 6.544 1.00 1.12 C ATOM 540 OG SER A 37 60.139 -3.182 6.357 1.00 1.52 O ATOM 0 H SER A 37 60.945 -4.834 4.259 1.00 0.87 H new ATOM 0 HA SER A 37 62.611 -2.763 5.558 1.00 0.87 H new ATOM 0 HB2 SER A 37 60.838 -5.127 6.412 1.00 1.12 H new ATOM 0 HB3 SER A 37 61.587 -4.036 7.561 1.00 1.12 H new ATOM 0 HG SER A 37 59.314 -3.668 6.147 1.00 1.52 H new ATOM 546 N THR A 38 64.166 -4.390 6.983 1.00 0.71 N ATOM 547 CA THR A 38 65.388 -5.161 7.357 1.00 0.65 C ATOM 548 C THR A 38 65.174 -6.659 7.112 1.00 0.70 C ATOM 549 O THR A 38 66.117 -7.409 6.957 1.00 1.37 O ATOM 550 CB THR A 38 65.616 -4.879 8.848 1.00 0.76 C ATOM 551 OG1 THR A 38 66.398 -5.925 9.409 1.00 1.55 O ATOM 552 CG2 THR A 38 64.276 -4.797 9.576 1.00 1.00 C ATOM 0 H THR A 38 63.872 -3.687 7.661 1.00 0.71 H new ATOM 0 HA THR A 38 66.250 -4.866 6.759 1.00 0.65 H new ATOM 0 HB THR A 38 66.138 -3.929 8.958 1.00 0.76 H new ATOM 0 HG1 THR A 38 66.547 -5.747 10.361 1.00 1.55 H new ATOM 0 HG21 THR A 38 64.448 -4.597 10.634 1.00 1.00 H new ATOM 0 HG22 THR A 38 63.677 -3.993 9.147 1.00 1.00 H new ATOM 0 HG23 THR A 38 63.745 -5.743 9.468 1.00 1.00 H new ATOM 560 N LYS A 39 63.945 -7.103 7.070 1.00 0.60 N ATOM 561 CA LYS A 39 63.684 -8.552 6.829 1.00 0.66 C ATOM 562 C LYS A 39 63.785 -8.869 5.336 1.00 0.64 C ATOM 563 O LYS A 39 64.196 -9.944 4.947 1.00 0.87 O ATOM 564 CB LYS A 39 62.258 -8.786 7.330 1.00 0.81 C ATOM 565 CG LYS A 39 62.304 -9.354 8.749 1.00 1.42 C ATOM 566 CD LYS A 39 63.244 -8.507 9.607 1.00 1.58 C ATOM 567 CE LYS A 39 62.803 -8.579 11.071 1.00 2.15 C ATOM 568 NZ LYS A 39 63.507 -7.450 11.740 1.00 2.80 N ATOM 0 H LYS A 39 63.113 -6.526 7.192 1.00 0.60 H new ATOM 0 HA LYS A 39 64.406 -9.190 7.338 1.00 0.66 H new ATOM 0 HB2 LYS A 39 61.699 -7.850 7.319 1.00 0.81 H new ATOM 0 HB3 LYS A 39 61.737 -9.476 6.667 1.00 0.81 H new ATOM 0 HG2 LYS A 39 61.304 -9.359 9.183 1.00 1.42 H new ATOM 0 HG3 LYS A 39 62.647 -10.388 8.727 1.00 1.42 H new ATOM 0 HD2 LYS A 39 64.268 -8.866 9.507 1.00 1.58 H new ATOM 0 HD3 LYS A 39 63.234 -7.473 9.264 1.00 1.58 H new ATOM 0 HE2 LYS A 39 61.721 -8.480 11.163 1.00 2.15 H new ATOM 0 HE3 LYS A 39 63.075 -9.535 11.519 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 63.351 -7.503 12.767 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 64.526 -7.510 11.541 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 63.137 -6.548 11.380 1.00 2.80 H new ATOM 582 N GLU A 40 63.410 -7.944 4.494 1.00 0.63 N ATOM 583 CA GLU A 40 63.484 -8.197 3.028 1.00 0.68 C ATOM 584 C GLU A 40 64.719 -7.512 2.438 1.00 0.66 C ATOM 585 O GLU A 40 65.335 -8.007 1.515 1.00 0.83 O ATOM 586 CB GLU A 40 62.205 -7.583 2.461 1.00 0.86 C ATOM 587 CG GLU A 40 60.990 -8.156 3.195 1.00 1.05 C ATOM 588 CD GLU A 40 60.742 -9.591 2.728 1.00 1.54 C ATOM 589 OE1 GLU A 40 61.700 -10.341 2.647 1.00 2.32 O ATOM 590 OE2 GLU A 40 59.597 -9.915 2.459 1.00 1.92 O ATOM 0 H GLU A 40 63.056 -7.025 4.759 1.00 0.63 H new ATOM 0 HA GLU A 40 63.567 -9.258 2.791 1.00 0.68 H new ATOM 0 HB2 GLU A 40 62.231 -6.499 2.571 1.00 0.86 H new ATOM 0 HB3 GLU A 40 62.131 -7.794 1.394 1.00 0.86 H new ATOM 0 HG2 GLU A 40 61.160 -8.137 4.272 1.00 1.05 H new ATOM 0 HG3 GLU A 40 60.111 -7.542 3.000 1.00 1.05 H new ATOM 597 N LEU A 41 65.086 -6.375 2.964 1.00 0.73 N ATOM 598 CA LEU A 41 66.281 -5.659 2.435 1.00 0.80 C ATOM 599 C LEU A 41 67.548 -6.475 2.706 1.00 0.72 C ATOM 600 O LEU A 41 68.485 -6.461 1.933 1.00 0.81 O ATOM 601 CB LEU A 41 66.320 -4.334 3.199 1.00 1.10 C ATOM 602 CG LEU A 41 67.064 -3.288 2.370 1.00 1.23 C ATOM 603 CD1 LEU A 41 68.506 -3.746 2.145 1.00 1.94 C ATOM 604 CD2 LEU A 41 66.367 -3.121 1.017 1.00 1.83 C ATOM 0 H LEU A 41 64.610 -5.911 3.737 1.00 0.73 H new ATOM 0 HA LEU A 41 66.228 -5.505 1.357 1.00 0.80 H new ATOM 0 HB2 LEU A 41 65.306 -3.993 3.409 1.00 1.10 H new ATOM 0 HB3 LEU A 41 66.815 -4.471 4.160 1.00 1.10 H new ATOM 0 HG LEU A 41 67.063 -2.336 2.901 1.00 1.23 H new ATOM 0 HD11 LEU A 41 69.037 -3.000 1.554 1.00 1.94 H new ATOM 0 HD12 LEU A 41 69.004 -3.867 3.107 1.00 1.94 H new ATOM 0 HD13 LEU A 41 68.507 -4.698 1.614 1.00 1.94 H new ATOM 0 HD21 LEU A 41 66.897 -2.375 0.424 1.00 1.83 H new ATOM 0 HD22 LEU A 41 66.369 -4.073 0.487 1.00 1.83 H new ATOM 0 HD23 LEU A 41 65.339 -2.795 1.175 1.00 1.83 H new ATOM 616 N GLY A 42 67.583 -7.188 3.799 1.00 0.72 N ATOM 617 CA GLY A 42 68.789 -8.004 4.118 1.00 0.91 C ATOM 618 C GLY A 42 69.259 -8.735 2.859 1.00 0.78 C ATOM 619 O GLY A 42 70.362 -8.536 2.389 1.00 0.84 O ATOM 0 H GLY A 42 66.829 -7.241 4.484 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.585 -7.363 4.497 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.557 -8.723 4.904 1.00 0.91 H new ATOM 623 N LYS A 43 68.430 -9.581 2.309 1.00 0.77 N ATOM 624 CA LYS A 43 68.830 -10.326 1.081 1.00 0.86 C ATOM 625 C LYS A 43 69.052 -9.353 -0.080 1.00 0.79 C ATOM 626 O LYS A 43 69.681 -9.681 -1.066 1.00 0.99 O ATOM 627 CB LYS A 43 67.653 -11.255 0.782 1.00 0.95 C ATOM 628 CG LYS A 43 67.476 -12.244 1.935 1.00 1.34 C ATOM 629 CD LYS A 43 67.092 -13.616 1.378 1.00 2.13 C ATOM 630 CE LYS A 43 67.085 -14.645 2.510 1.00 2.65 C ATOM 631 NZ LYS A 43 67.123 -15.968 1.828 1.00 2.98 N ATOM 0 H LYS A 43 67.494 -9.788 2.657 1.00 0.77 H new ATOM 0 HA LYS A 43 69.761 -10.876 1.217 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.742 -10.672 0.646 1.00 0.95 H new ATOM 0 HB3 LYS A 43 67.829 -11.794 -0.149 1.00 0.95 H new ATOM 0 HG2 LYS A 43 68.400 -12.319 2.509 1.00 1.34 H new ATOM 0 HG3 LYS A 43 66.704 -11.888 2.618 1.00 1.34 H new ATOM 0 HD2 LYS A 43 66.109 -13.568 0.911 1.00 2.13 H new ATOM 0 HD3 LYS A 43 67.798 -13.916 0.604 1.00 2.13 H new ATOM 0 HE2 LYS A 43 67.945 -14.515 3.167 1.00 2.65 H new ATOM 0 HE3 LYS A 43 66.193 -14.545 3.129 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 67.121 -16.726 2.540 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 66.289 -16.066 1.215 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 67.986 -16.037 1.252 1.00 2.98 H new ATOM 645 N VAL A 44 68.537 -8.159 0.028 1.00 0.72 N ATOM 646 CA VAL A 44 68.716 -7.166 -1.070 1.00 0.93 C ATOM 647 C VAL A 44 70.054 -6.438 -0.915 1.00 0.89 C ATOM 648 O VAL A 44 70.573 -5.865 -1.852 1.00 1.06 O ATOM 649 CB VAL A 44 67.551 -6.188 -0.912 1.00 1.18 C ATOM 650 CG1 VAL A 44 67.656 -5.090 -1.971 1.00 1.72 C ATOM 651 CG2 VAL A 44 66.228 -6.937 -1.086 1.00 1.80 C ATOM 0 H VAL A 44 68.000 -7.828 0.829 1.00 0.72 H new ATOM 0 HA VAL A 44 68.724 -7.636 -2.054 1.00 0.93 H new ATOM 0 HB VAL A 44 67.588 -5.740 0.081 1.00 1.18 H new ATOM 0 HG11 VAL A 44 66.825 -4.394 -1.857 1.00 1.72 H new ATOM 0 HG12 VAL A 44 68.597 -4.555 -1.848 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.621 -5.538 -2.964 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.398 -6.240 -0.973 1.00 1.80 H new ATOM 0 HG22 VAL A 44 66.192 -7.387 -2.078 1.00 1.80 H new ATOM 0 HG23 VAL A 44 66.150 -7.719 -0.330 1.00 1.80 H new ATOM 661 N MET A 45 70.612 -6.450 0.264 1.00 0.86 N ATOM 662 CA MET A 45 71.911 -5.753 0.485 1.00 1.06 C ATOM 663 C MET A 45 73.084 -6.616 0.005 1.00 1.08 C ATOM 664 O MET A 45 73.901 -6.185 -0.784 1.00 1.14 O ATOM 665 CB MET A 45 71.988 -5.543 1.998 1.00 1.34 C ATOM 666 CG MET A 45 71.562 -4.114 2.337 1.00 1.88 C ATOM 667 SD MET A 45 73.034 -3.090 2.584 1.00 2.45 S ATOM 668 CE MET A 45 72.834 -2.049 1.118 1.00 3.35 C ATOM 0 H MET A 45 70.224 -6.913 1.086 1.00 0.86 H new ATOM 0 HA MET A 45 71.970 -4.816 -0.069 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.342 -6.257 2.508 1.00 1.34 H new ATOM 0 HB3 MET A 45 73.004 -5.724 2.350 1.00 1.34 H new ATOM 0 HG2 MET A 45 70.951 -3.704 1.532 1.00 1.88 H new ATOM 0 HG3 MET A 45 70.947 -4.110 3.237 1.00 1.88 H new ATOM 0 HE1 MET A 45 73.075 -1.016 1.369 1.00 3.35 H new ATOM 0 HE2 MET A 45 73.503 -2.397 0.331 1.00 3.35 H new ATOM 0 HE3 MET A 45 71.803 -2.106 0.769 1.00 3.35 H new ATOM 678 N ARG A 46 73.184 -7.822 0.491 1.00 1.20 N ATOM 679 CA ARG A 46 74.317 -8.706 0.079 1.00 1.46 C ATOM 680 C ARG A 46 74.225 -9.070 -1.407 1.00 1.52 C ATOM 681 O ARG A 46 75.221 -9.358 -2.042 1.00 1.73 O ATOM 682 CB ARG A 46 74.172 -9.958 0.944 1.00 1.74 C ATOM 683 CG ARG A 46 75.495 -10.725 0.953 1.00 1.93 C ATOM 684 CD ARG A 46 75.374 -11.947 1.865 1.00 2.48 C ATOM 685 NE ARG A 46 74.929 -13.050 0.969 1.00 2.64 N ATOM 686 CZ ARG A 46 75.130 -14.293 1.314 1.00 3.08 C ATOM 687 NH1 ARG A 46 76.265 -14.872 1.033 1.00 3.41 N ATOM 688 NH2 ARG A 46 74.194 -14.957 1.936 1.00 3.64 N ATOM 0 H ARG A 46 72.531 -8.236 1.156 1.00 1.20 H new ATOM 0 HA ARG A 46 75.281 -8.215 0.214 1.00 1.46 H new ATOM 0 HB2 ARG A 46 73.893 -9.681 1.960 1.00 1.74 H new ATOM 0 HB3 ARG A 46 73.374 -10.591 0.556 1.00 1.74 H new ATOM 0 HG2 ARG A 46 75.752 -11.038 -0.059 1.00 1.93 H new ATOM 0 HG3 ARG A 46 76.300 -10.077 1.301 1.00 1.93 H new ATOM 0 HD2 ARG A 46 76.327 -12.183 2.339 1.00 2.48 H new ATOM 0 HD3 ARG A 46 74.655 -11.773 2.665 1.00 2.48 H new ATOM 0 HE ARG A 46 74.467 -12.834 0.086 1.00 2.64 H new ATOM 0 HH11 ARG A 46 76.995 -14.354 0.544 1.00 3.41 H new ATOM 0 HH12 ARG A 46 76.423 -15.843 1.302 1.00 3.41 H new ATOM 0 HH21 ARG A 46 73.306 -14.505 2.152 1.00 3.64 H new ATOM 0 HH22 ARG A 46 74.351 -15.928 2.206 1.00 3.64 H new ATOM 702 N MET A 47 73.048 -9.073 -1.967 1.00 1.46 N ATOM 703 CA MET A 47 72.917 -9.435 -3.410 1.00 1.73 C ATOM 704 C MET A 47 73.315 -8.254 -4.302 1.00 1.75 C ATOM 705 O MET A 47 73.274 -8.340 -5.513 1.00 2.01 O ATOM 706 CB MET A 47 71.439 -9.787 -3.601 1.00 1.70 C ATOM 707 CG MET A 47 70.605 -8.507 -3.683 1.00 1.96 C ATOM 708 SD MET A 47 70.355 -8.062 -5.418 1.00 1.94 S ATOM 709 CE MET A 47 69.302 -9.465 -5.860 1.00 1.52 C ATOM 0 H MET A 47 72.175 -8.842 -1.493 1.00 1.46 H new ATOM 0 HA MET A 47 73.570 -10.263 -3.684 1.00 1.73 H new ATOM 0 HB2 MET A 47 71.311 -10.374 -4.510 1.00 1.70 H new ATOM 0 HB3 MET A 47 71.093 -10.404 -2.772 1.00 1.70 H new ATOM 0 HG2 MET A 47 69.643 -8.655 -3.192 1.00 1.96 H new ATOM 0 HG3 MET A 47 71.110 -7.697 -3.158 1.00 1.96 H new ATOM 0 HE1 MET A 47 69.769 -10.030 -6.667 1.00 1.52 H new ATOM 0 HE2 MET A 47 69.173 -10.111 -4.992 1.00 1.52 H new ATOM 0 HE3 MET A 47 68.329 -9.100 -6.189 1.00 1.52 H new ATOM 719 N LEU A 48 73.701 -7.154 -3.716 1.00 1.60 N ATOM 720 CA LEU A 48 74.100 -5.977 -4.540 1.00 1.69 C ATOM 721 C LEU A 48 75.620 -5.807 -4.523 1.00 1.68 C ATOM 722 O LEU A 48 76.315 -6.256 -5.412 1.00 1.99 O ATOM 723 CB LEU A 48 73.416 -4.781 -3.878 1.00 1.73 C ATOM 724 CG LEU A 48 71.910 -4.847 -4.136 1.00 1.75 C ATOM 725 CD1 LEU A 48 71.227 -3.653 -3.466 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.648 -4.802 -5.643 1.00 2.15 C ATOM 0 H LEU A 48 73.757 -7.019 -2.707 1.00 1.60 H new ATOM 0 HA LEU A 48 73.808 -6.086 -5.584 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.612 -4.784 -2.806 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.823 -3.851 -4.274 1.00 1.73 H new ATOM 0 HG LEU A 48 71.511 -5.774 -3.725 1.00 1.75 H new ATOM 0 HD11 LEU A 48 70.153 -3.698 -3.649 1.00 1.86 H new ATOM 0 HD12 LEU A 48 71.414 -3.682 -2.393 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.627 -2.727 -3.879 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.575 -4.849 -5.827 1.00 2.15 H new ATOM 0 HD22 LEU A 48 72.046 -3.874 -6.054 1.00 2.15 H new ATOM 0 HD23 LEU A 48 72.136 -5.650 -6.123 1.00 2.15 H new ATOM 738 N GLY A 49 76.144 -5.161 -3.517 1.00 1.63 N ATOM 739 CA GLY A 49 77.620 -4.962 -3.447 1.00 1.87 C ATOM 740 C GLY A 49 78.027 -4.657 -2.004 1.00 1.54 C ATOM 741 O GLY A 49 78.962 -3.923 -1.756 1.00 1.53 O ATOM 0 H GLY A 49 75.615 -4.763 -2.741 1.00 1.63 H new ATOM 0 HA2 GLY A 49 78.135 -5.855 -3.800 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.918 -4.143 -4.101 1.00 1.87 H new ATOM 745 N GLN A 50 77.333 -5.215 -1.051 1.00 1.37 N ATOM 746 CA GLN A 50 77.684 -4.956 0.376 1.00 1.17 C ATOM 747 C GLN A 50 77.672 -6.266 1.168 1.00 1.24 C ATOM 748 O GLN A 50 77.712 -7.343 0.606 1.00 1.75 O ATOM 749 CB GLN A 50 76.597 -4.011 0.886 1.00 1.29 C ATOM 750 CG GLN A 50 76.474 -2.813 -0.058 1.00 1.28 C ATOM 751 CD GLN A 50 76.434 -1.520 0.759 1.00 1.41 C ATOM 752 OE1 GLN A 50 77.337 -1.245 1.525 1.00 1.89 O ATOM 753 NE2 GLN A 50 75.419 -0.710 0.629 1.00 1.85 N ATOM 0 H GLN A 50 76.539 -5.838 -1.197 1.00 1.37 H new ATOM 0 HA GLN A 50 78.680 -4.527 0.486 1.00 1.17 H new ATOM 0 HB2 GLN A 50 75.644 -4.537 0.949 1.00 1.29 H new ATOM 0 HB3 GLN A 50 76.840 -3.670 1.892 1.00 1.29 H new ATOM 0 HG2 GLN A 50 77.317 -2.793 -0.749 1.00 1.28 H new ATOM 0 HG3 GLN A 50 75.570 -2.903 -0.661 1.00 1.28 H new ATOM 0 HE21 GLN A 50 74.661 -0.941 -0.014 1.00 1.85 H new ATOM 0 HE22 GLN A 50 75.383 0.154 1.170 1.00 1.85 H new ATOM 762 N ASN A 51 77.616 -6.184 2.469 1.00 1.18 N ATOM 763 CA ASN A 51 77.600 -7.425 3.295 1.00 1.29 C ATOM 764 C ASN A 51 77.369 -7.077 4.769 1.00 1.07 C ATOM 765 O ASN A 51 78.196 -7.362 5.612 1.00 1.45 O ATOM 766 CB ASN A 51 78.982 -8.048 3.102 1.00 1.96 C ATOM 767 CG ASN A 51 78.996 -9.454 3.702 1.00 2.61 C ATOM 768 OD1 ASN A 51 77.958 -10.004 4.016 1.00 3.07 O ATOM 769 ND2 ASN A 51 80.135 -10.065 3.877 1.00 3.29 N ATOM 0 H ASN A 51 77.581 -5.311 2.996 1.00 1.18 H new ATOM 0 HA ASN A 51 76.801 -8.106 3.001 1.00 1.29 H new ATOM 0 HB2 ASN A 51 79.228 -8.091 2.041 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.741 -7.429 3.580 1.00 1.96 H new ATOM 0 HD21 ASN A 51 80.154 -11.003 4.277 1.00 3.29 H new ATOM 0 HD22 ASN A 51 81.006 -9.605 3.614 1.00 3.29 H new ATOM 776 N PRO A 52 76.244 -6.467 5.024 1.00 1.47 N ATOM 777 CA PRO A 52 75.888 -6.069 6.408 1.00 2.11 C ATOM 778 C PRO A 52 75.518 -7.299 7.243 1.00 1.79 C ATOM 779 O PRO A 52 75.291 -8.370 6.719 1.00 2.07 O ATOM 780 CB PRO A 52 74.679 -5.157 6.217 1.00 2.97 C ATOM 781 CG PRO A 52 74.081 -5.579 4.913 1.00 2.97 C ATOM 782 CD PRO A 52 75.208 -6.094 4.057 1.00 2.03 C ATOM 0 HA PRO A 52 76.706 -5.581 6.937 1.00 2.11 H new ATOM 0 HB2 PRO A 52 73.966 -5.270 7.034 1.00 2.97 H new ATOM 0 HB3 PRO A 52 74.975 -4.108 6.195 1.00 2.97 H new ATOM 0 HG2 PRO A 52 73.329 -6.353 5.066 1.00 2.97 H new ATOM 0 HG3 PRO A 52 73.581 -4.740 4.429 1.00 2.97 H new ATOM 0 HD2 PRO A 52 74.895 -6.949 3.457 1.00 2.03 H new ATOM 0 HD3 PRO A 52 75.564 -5.331 3.364 1.00 2.03 H new ATOM 790 N THR A 53 75.457 -7.151 8.539 1.00 1.42 N ATOM 791 CA THR A 53 75.102 -8.313 9.405 1.00 1.16 C ATOM 792 C THR A 53 73.615 -8.267 9.768 1.00 0.98 C ATOM 793 O THR A 53 72.938 -7.294 9.496 1.00 0.92 O ATOM 794 CB THR A 53 75.964 -8.150 10.658 1.00 1.19 C ATOM 795 OG1 THR A 53 76.364 -6.792 10.782 1.00 1.40 O ATOM 796 CG2 THR A 53 77.203 -9.040 10.546 1.00 1.36 C ATOM 0 H THR A 53 75.637 -6.278 9.035 1.00 1.42 H new ATOM 0 HA THR A 53 75.279 -9.267 8.909 1.00 1.16 H new ATOM 0 HB THR A 53 75.388 -8.441 11.536 1.00 1.19 H new ATOM 0 HG1 THR A 53 76.915 -6.685 11.585 1.00 1.40 H new ATOM 0 HG21 THR A 53 77.817 -8.923 11.439 1.00 1.36 H new ATOM 0 HG22 THR A 53 76.896 -10.081 10.451 1.00 1.36 H new ATOM 0 HG23 THR A 53 77.781 -8.750 9.668 1.00 1.36 H new ATOM 804 N PRO A 54 73.157 -9.327 10.375 1.00 0.99 N ATOM 805 CA PRO A 54 71.735 -9.418 10.786 1.00 1.04 C ATOM 806 C PRO A 54 71.465 -8.497 11.981 1.00 0.93 C ATOM 807 O PRO A 54 70.364 -8.026 12.177 1.00 0.94 O ATOM 808 CB PRO A 54 71.568 -10.883 11.178 1.00 1.19 C ATOM 809 CG PRO A 54 72.943 -11.343 11.550 1.00 1.18 C ATOM 810 CD PRO A 54 73.915 -10.532 10.733 1.00 1.10 C ATOM 0 HA PRO A 54 71.041 -9.111 10.003 1.00 1.04 H new ATOM 0 HB2 PRO A 54 70.876 -10.992 12.013 1.00 1.19 H new ATOM 0 HB3 PRO A 54 71.166 -11.469 10.352 1.00 1.19 H new ATOM 0 HG2 PRO A 54 73.122 -11.200 12.616 1.00 1.18 H new ATOM 0 HG3 PRO A 54 73.062 -12.407 11.346 1.00 1.18 H new ATOM 0 HD2 PRO A 54 74.810 -10.286 11.305 1.00 1.10 H new ATOM 0 HD3 PRO A 54 74.243 -11.076 9.847 1.00 1.10 H new ATOM 818 N GLU A 55 72.466 -8.237 12.778 1.00 0.98 N ATOM 819 CA GLU A 55 72.267 -7.345 13.955 1.00 1.08 C ATOM 820 C GLU A 55 72.382 -5.878 13.530 1.00 0.97 C ATOM 821 O GLU A 55 71.539 -5.062 13.845 1.00 1.01 O ATOM 822 CB GLU A 55 73.390 -7.712 14.925 1.00 1.28 C ATOM 823 CG GLU A 55 72.789 -8.213 16.239 1.00 2.15 C ATOM 824 CD GLU A 55 72.407 -7.019 17.116 1.00 2.57 C ATOM 825 OE1 GLU A 55 72.239 -5.939 16.574 1.00 3.14 O ATOM 826 OE2 GLU A 55 72.288 -7.205 18.317 1.00 2.81 O ATOM 0 H GLU A 55 73.411 -8.603 12.665 1.00 0.98 H new ATOM 0 HA GLU A 55 71.283 -7.469 14.407 1.00 1.08 H new ATOM 0 HB2 GLU A 55 74.025 -8.482 14.487 1.00 1.28 H new ATOM 0 HB3 GLU A 55 74.023 -6.844 15.110 1.00 1.28 H new ATOM 0 HG2 GLU A 55 71.910 -8.826 16.038 1.00 2.15 H new ATOM 0 HG3 GLU A 55 73.507 -8.846 16.761 1.00 2.15 H new ATOM 833 N GLU A 56 73.420 -5.537 12.815 1.00 0.92 N ATOM 834 CA GLU A 56 73.587 -4.123 12.367 1.00 0.94 C ATOM 835 C GLU A 56 72.464 -3.743 11.398 1.00 0.84 C ATOM 836 O GLU A 56 72.135 -2.584 11.238 1.00 0.94 O ATOM 837 CB GLU A 56 74.943 -4.087 11.661 1.00 1.06 C ATOM 838 CG GLU A 56 75.399 -2.635 11.502 1.00 1.60 C ATOM 839 CD GLU A 56 76.744 -2.598 10.772 1.00 1.83 C ATOM 840 OE1 GLU A 56 77.681 -3.201 11.268 1.00 2.08 O ATOM 841 OE2 GLU A 56 76.813 -1.965 9.730 1.00 2.50 O ATOM 0 H GLU A 56 74.159 -6.175 12.522 1.00 0.92 H new ATOM 0 HA GLU A 56 73.544 -3.417 13.197 1.00 0.94 H new ATOM 0 HB2 GLU A 56 75.679 -4.649 12.236 1.00 1.06 H new ATOM 0 HB3 GLU A 56 74.869 -4.565 10.684 1.00 1.06 H new ATOM 0 HG2 GLU A 56 74.654 -2.068 10.943 1.00 1.60 H new ATOM 0 HG3 GLU A 56 75.491 -2.163 12.480 1.00 1.60 H new ATOM 848 N LEU A 57 71.872 -4.710 10.752 1.00 0.73 N ATOM 849 CA LEU A 57 70.770 -4.403 9.795 1.00 0.78 C ATOM 850 C LEU A 57 69.772 -3.436 10.438 1.00 0.80 C ATOM 851 O LEU A 57 69.532 -2.354 9.940 1.00 0.89 O ATOM 852 CB LEU A 57 70.104 -5.749 9.510 1.00 0.85 C ATOM 853 CG LEU A 57 70.393 -6.165 8.067 1.00 0.84 C ATOM 854 CD1 LEU A 57 69.945 -7.611 7.853 1.00 1.30 C ATOM 855 CD2 LEU A 57 69.627 -5.248 7.111 1.00 1.10 C ATOM 0 H LEU A 57 72.103 -5.699 10.845 1.00 0.73 H new ATOM 0 HA LEU A 57 71.133 -3.929 8.883 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.478 -6.505 10.200 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.028 -5.676 9.670 1.00 0.85 H new ATOM 0 HG LEU A 57 71.462 -6.084 7.872 1.00 0.84 H new ATOM 0 HD11 LEU A 57 70.151 -7.907 6.824 1.00 1.30 H new ATOM 0 HD12 LEU A 57 70.489 -8.265 8.535 1.00 1.30 H new ATOM 0 HD13 LEU A 57 68.876 -7.693 8.047 1.00 1.30 H new ATOM 0 HD21 LEU A 57 69.832 -5.543 6.082 1.00 1.10 H new ATOM 0 HD22 LEU A 57 68.558 -5.330 7.306 1.00 1.10 H new ATOM 0 HD23 LEU A 57 69.945 -4.217 7.263 1.00 1.10 H new ATOM 867 N GLN A 58 69.190 -3.819 11.541 1.00 0.81 N ATOM 868 CA GLN A 58 68.209 -2.922 12.217 1.00 0.95 C ATOM 869 C GLN A 58 68.842 -1.554 12.480 1.00 0.99 C ATOM 870 O GLN A 58 68.396 -0.544 11.973 1.00 1.13 O ATOM 871 CB GLN A 58 67.875 -3.621 13.536 1.00 1.09 C ATOM 872 CG GLN A 58 66.488 -3.184 14.009 1.00 1.25 C ATOM 873 CD GLN A 58 66.383 -1.659 13.943 1.00 1.41 C ATOM 874 OE1 GLN A 58 66.685 -0.977 14.902 1.00 1.97 O ATOM 875 NE2 GLN A 58 65.963 -1.093 12.846 1.00 1.74 N ATOM 0 H GLN A 58 69.351 -4.714 12.004 1.00 0.81 H new ATOM 0 HA GLN A 58 67.319 -2.751 11.611 1.00 0.95 H new ATOM 0 HB2 GLN A 58 67.901 -4.703 13.403 1.00 1.09 H new ATOM 0 HB3 GLN A 58 68.622 -3.374 14.290 1.00 1.09 H new ATOM 0 HG2 GLN A 58 65.719 -3.639 13.385 1.00 1.25 H new ATOM 0 HG3 GLN A 58 66.315 -3.527 15.029 1.00 1.25 H new ATOM 0 HE21 GLN A 58 65.710 -1.666 12.041 1.00 1.74 H new ATOM 0 HE22 GLN A 58 65.888 -0.077 12.793 1.00 1.74 H new ATOM 884 N GLU A 59 69.880 -1.513 13.269 1.00 0.97 N ATOM 885 CA GLU A 59 70.543 -0.211 13.564 1.00 1.14 C ATOM 886 C GLU A 59 70.842 0.535 12.261 1.00 1.11 C ATOM 887 O GLU A 59 70.647 1.729 12.159 1.00 1.18 O ATOM 888 CB GLU A 59 71.843 -0.579 14.281 1.00 1.23 C ATOM 889 CG GLU A 59 71.649 -0.440 15.792 1.00 1.60 C ATOM 890 CD GLU A 59 72.912 0.157 16.416 1.00 2.19 C ATOM 891 OE1 GLU A 59 73.326 1.215 15.968 1.00 2.77 O ATOM 892 OE2 GLU A 59 73.443 -0.451 17.330 1.00 2.75 O ATOM 0 H GLU A 59 70.298 -2.325 13.723 1.00 0.97 H new ATOM 0 HA GLU A 59 69.916 0.443 14.170 1.00 1.14 H new ATOM 0 HB2 GLU A 59 72.131 -1.601 14.033 1.00 1.23 H new ATOM 0 HB3 GLU A 59 72.652 0.070 13.946 1.00 1.23 H new ATOM 0 HG2 GLU A 59 70.790 0.198 16.002 1.00 1.60 H new ATOM 0 HG3 GLU A 59 71.438 -1.414 16.233 1.00 1.60 H new ATOM 899 N MET A 60 71.313 -0.162 11.262 1.00 1.11 N ATOM 900 CA MET A 60 71.621 0.510 9.967 1.00 1.18 C ATOM 901 C MET A 60 70.455 1.412 9.554 1.00 1.13 C ATOM 902 O MET A 60 70.598 2.613 9.436 1.00 1.25 O ATOM 903 CB MET A 60 71.801 -0.627 8.961 1.00 1.22 C ATOM 904 CG MET A 60 72.673 -0.147 7.800 1.00 1.62 C ATOM 905 SD MET A 60 74.404 -0.089 8.330 1.00 1.82 S ATOM 906 CE MET A 60 74.853 1.438 7.471 1.00 2.02 C ATOM 0 H MET A 60 71.497 -1.165 11.286 1.00 1.11 H new ATOM 0 HA MET A 60 72.508 1.141 10.029 1.00 1.18 H new ATOM 0 HB2 MET A 60 72.264 -1.486 9.446 1.00 1.22 H new ATOM 0 HB3 MET A 60 70.830 -0.955 8.589 1.00 1.22 H new ATOM 0 HG2 MET A 60 72.565 -0.818 6.948 1.00 1.62 H new ATOM 0 HG3 MET A 60 72.349 0.840 7.471 1.00 1.62 H new ATOM 0 HE1 MET A 60 75.931 1.462 7.311 1.00 2.02 H new ATOM 0 HE2 MET A 60 74.342 1.478 6.509 1.00 2.02 H new ATOM 0 HE3 MET A 60 74.557 2.296 8.075 1.00 2.02 H new ATOM 916 N ILE A 61 69.301 0.842 9.336 1.00 1.04 N ATOM 917 CA ILE A 61 68.127 1.668 8.932 1.00 1.11 C ATOM 918 C ILE A 61 67.768 2.653 10.050 1.00 1.23 C ATOM 919 O ILE A 61 67.586 3.829 9.816 1.00 1.40 O ATOM 920 CB ILE A 61 66.993 0.663 8.704 1.00 1.13 C ATOM 921 CG1 ILE A 61 67.133 0.060 7.305 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.638 1.369 8.815 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.319 -1.452 7.417 1.00 1.14 C ATOM 0 H ILE A 61 69.120 -0.158 9.420 1.00 1.04 H new ATOM 0 HA ILE A 61 68.323 2.262 8.040 1.00 1.11 H new ATOM 0 HB ILE A 61 67.051 -0.122 9.458 1.00 1.13 H new ATOM 0 HG12 ILE A 61 66.248 0.285 6.710 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.984 0.504 6.790 1.00 1.17 H new ATOM 0 HG21 ILE A 61 64.837 0.648 8.652 1.00 1.36 H new ATOM 0 HG22 ILE A 61 65.536 1.806 9.808 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.575 2.157 8.064 1.00 1.36 H new ATOM 0 HD11 ILE A 61 67.419 -1.881 6.420 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.217 -1.666 7.996 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.454 -1.889 7.915 1.00 1.14 H new ATOM 935 N ASP A 62 67.662 2.178 11.262 1.00 1.23 N ATOM 936 CA ASP A 62 67.311 3.086 12.394 1.00 1.43 C ATOM 937 C ASP A 62 68.061 4.414 12.265 1.00 1.48 C ATOM 938 O ASP A 62 67.609 5.440 12.733 1.00 1.67 O ATOM 939 CB ASP A 62 67.752 2.339 13.654 1.00 1.51 C ATOM 940 CG ASP A 62 66.681 2.488 14.736 1.00 1.54 C ATOM 941 OD1 ASP A 62 65.517 2.571 14.381 1.00 2.13 O ATOM 942 OD2 ASP A 62 67.043 2.517 15.900 1.00 1.79 O ATOM 0 H ASP A 62 67.803 1.201 11.518 1.00 1.23 H new ATOM 0 HA ASP A 62 66.248 3.326 12.414 1.00 1.43 H new ATOM 0 HB2 ASP A 62 67.911 1.285 13.428 1.00 1.51 H new ATOM 0 HB3 ASP A 62 68.702 2.736 14.011 1.00 1.51 H new ATOM 947 N GLU A 63 69.203 4.404 11.634 1.00 1.41 N ATOM 948 CA GLU A 63 69.978 5.669 11.476 1.00 1.52 C ATOM 949 C GLU A 63 69.496 6.437 10.242 1.00 1.47 C ATOM 950 O GLU A 63 69.243 7.623 10.297 1.00 1.80 O ATOM 951 CB GLU A 63 71.429 5.223 11.296 1.00 1.55 C ATOM 952 CG GLU A 63 72.284 5.793 12.432 1.00 2.11 C ATOM 953 CD GLU A 63 73.043 4.657 13.119 1.00 2.26 C ATOM 954 OE1 GLU A 63 73.366 3.692 12.445 1.00 2.32 O ATOM 955 OE2 GLU A 63 73.291 4.771 14.309 1.00 2.93 O ATOM 0 H GLU A 63 69.633 3.576 11.221 1.00 1.41 H new ATOM 0 HA GLU A 63 69.858 6.336 12.330 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.488 4.135 11.293 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.809 5.566 10.334 1.00 1.55 H new ATOM 0 HG2 GLU A 63 72.986 6.528 12.039 1.00 2.11 H new ATOM 0 HG3 GLU A 63 71.651 6.310 13.153 1.00 2.11 H new ATOM 962 N VAL A 64 69.370 5.769 9.127 1.00 1.33 N ATOM 963 CA VAL A 64 68.907 6.463 7.890 1.00 1.29 C ATOM 964 C VAL A 64 67.379 6.556 7.872 1.00 1.21 C ATOM 965 O VAL A 64 66.802 7.307 7.112 1.00 1.50 O ATOM 966 CB VAL A 64 69.408 5.589 6.736 1.00 1.40 C ATOM 967 CG1 VAL A 64 70.860 5.183 6.995 1.00 1.69 C ATOM 968 CG2 VAL A 64 68.541 4.332 6.630 1.00 1.31 C ATOM 0 H VAL A 64 69.567 4.774 9.019 1.00 1.33 H new ATOM 0 HA VAL A 64 69.285 7.483 7.823 1.00 1.29 H new ATOM 0 HB VAL A 64 69.347 6.152 5.805 1.00 1.40 H new ATOM 0 HG11 VAL A 64 71.216 4.561 6.174 1.00 1.69 H new ATOM 0 HG12 VAL A 64 71.480 6.076 7.069 1.00 1.69 H new ATOM 0 HG13 VAL A 64 70.920 4.622 7.927 1.00 1.69 H new ATOM 0 HG21 VAL A 64 68.899 3.711 5.808 1.00 1.31 H new ATOM 0 HG22 VAL A 64 68.600 3.770 7.562 1.00 1.31 H new ATOM 0 HG23 VAL A 64 67.506 4.619 6.444 1.00 1.31 H new ATOM 978 N ASP A 65 66.720 5.793 8.701 1.00 1.27 N ATOM 979 CA ASP A 65 65.230 5.834 8.728 1.00 1.38 C ATOM 980 C ASP A 65 64.741 7.196 9.226 1.00 2.07 C ATOM 981 O ASP A 65 65.162 7.677 10.260 1.00 2.61 O ATOM 982 CB ASP A 65 64.822 4.732 9.704 1.00 1.38 C ATOM 983 CG ASP A 65 63.396 4.273 9.392 1.00 1.66 C ATOM 984 OD1 ASP A 65 62.732 4.950 8.625 1.00 1.47 O ATOM 985 OD2 ASP A 65 62.994 3.252 9.925 1.00 2.59 O ATOM 0 H ASP A 65 67.149 5.143 9.360 1.00 1.27 H new ATOM 0 HA ASP A 65 64.798 5.686 7.738 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.511 3.891 9.627 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.881 5.099 10.729 1.00 1.38 H new ATOM 990 N GLU A 66 63.851 7.816 8.503 1.00 2.65 N ATOM 991 CA GLU A 66 63.332 9.143 8.940 1.00 3.74 C ATOM 992 C GLU A 66 61.990 8.970 9.656 1.00 4.00 C ATOM 993 O GLU A 66 61.387 9.925 10.104 1.00 4.93 O ATOM 994 CB GLU A 66 63.152 9.944 7.650 1.00 4.58 C ATOM 995 CG GLU A 66 62.007 9.344 6.832 1.00 5.25 C ATOM 996 CD GLU A 66 62.540 8.860 5.482 1.00 6.17 C ATOM 997 OE1 GLU A 66 63.630 9.269 5.117 1.00 6.61 O ATOM 998 OE2 GLU A 66 61.849 8.089 4.837 1.00 6.67 O ATOM 0 H GLU A 66 63.461 7.462 7.630 1.00 2.65 H new ATOM 0 HA GLU A 66 64.005 9.642 9.637 1.00 3.74 H new ATOM 0 HB2 GLU A 66 62.938 10.987 7.884 1.00 4.58 H new ATOM 0 HB3 GLU A 66 64.074 9.930 7.069 1.00 4.58 H new ATOM 0 HG2 GLU A 66 61.555 8.514 7.375 1.00 5.25 H new ATOM 0 HG3 GLU A 66 61.226 10.089 6.680 1.00 5.25 H new ATOM 1005 N ASP A 67 61.517 7.757 9.769 1.00 3.32 N ATOM 1006 CA ASP A 67 60.215 7.526 10.458 1.00 3.69 C ATOM 1007 C ASP A 67 60.331 6.345 11.428 1.00 3.25 C ATOM 1008 O ASP A 67 59.373 5.961 12.070 1.00 3.49 O ATOM 1009 CB ASP A 67 59.225 7.208 9.336 1.00 3.68 C ATOM 1010 CG ASP A 67 59.550 5.837 8.740 1.00 3.08 C ATOM 1011 OD1 ASP A 67 60.583 5.720 8.101 1.00 2.33 O ATOM 1012 OD2 ASP A 67 58.760 4.928 8.932 1.00 3.83 O ATOM 0 H ASP A 67 61.976 6.918 9.414 1.00 3.32 H new ATOM 0 HA ASP A 67 59.899 8.387 11.047 1.00 3.69 H new ATOM 0 HB2 ASP A 67 58.206 7.215 9.723 1.00 3.68 H new ATOM 0 HB3 ASP A 67 59.278 7.974 8.562 1.00 3.68 H new ATOM 1017 N GLY A 68 61.498 5.772 11.542 1.00 2.98 N ATOM 1018 CA GLY A 68 61.678 4.622 12.473 1.00 3.17 C ATOM 1019 C GLY A 68 60.663 3.525 12.143 1.00 2.42 C ATOM 1020 O GLY A 68 59.695 3.331 12.850 1.00 3.05 O ATOM 0 H GLY A 68 62.335 6.051 11.030 1.00 2.98 H new ATOM 0 HA2 GLY A 68 62.692 4.230 12.389 1.00 3.17 H new ATOM 0 HA3 GLY A 68 61.548 4.953 13.504 1.00 3.17 H new ATOM 1024 N SER A 69 60.876 2.805 11.075 1.00 1.46 N ATOM 1025 CA SER A 69 59.922 1.721 10.705 1.00 1.52 C ATOM 1026 C SER A 69 60.681 0.496 10.187 1.00 1.64 C ATOM 1027 O SER A 69 60.092 -0.453 9.709 1.00 2.49 O ATOM 1028 CB SER A 69 59.054 2.318 9.599 1.00 2.44 C ATOM 1029 OG SER A 69 59.892 2.886 8.601 1.00 2.71 O ATOM 0 H SER A 69 61.669 2.920 10.443 1.00 1.46 H new ATOM 0 HA SER A 69 59.329 1.388 11.557 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.420 1.547 9.162 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.392 3.079 10.011 1.00 2.44 H new ATOM 0 HG SER A 69 60.122 2.201 7.938 1.00 2.71 H new ATOM 1035 N GLY A 70 61.984 0.509 10.274 1.00 1.28 N ATOM 1036 CA GLY A 70 62.772 -0.655 9.782 1.00 1.43 C ATOM 1037 C GLY A 70 62.294 -1.037 8.382 1.00 1.29 C ATOM 1038 O GLY A 70 62.463 -2.157 7.943 1.00 1.59 O ATOM 0 H GLY A 70 62.535 1.274 10.664 1.00 1.28 H new ATOM 0 HA2 GLY A 70 63.833 -0.407 9.761 1.00 1.43 H new ATOM 0 HA3 GLY A 70 62.656 -1.500 10.461 1.00 1.43 H new ATOM 1042 N THR A 71 61.695 -0.117 7.676 1.00 0.89 N ATOM 1043 CA THR A 71 61.206 -0.431 6.303 1.00 0.79 C ATOM 1044 C THR A 71 61.945 0.425 5.271 1.00 0.76 C ATOM 1045 O THR A 71 62.228 1.584 5.500 1.00 0.83 O ATOM 1046 CB THR A 71 59.715 -0.086 6.323 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.544 1.237 6.810 1.00 1.45 O ATOM 1048 CG2 THR A 71 58.975 -1.068 7.233 1.00 1.08 C ATOM 0 H THR A 71 61.523 0.838 7.990 1.00 0.89 H new ATOM 0 HA THR A 71 61.377 -1.473 6.031 1.00 0.79 H new ATOM 0 HB THR A 71 59.311 -0.156 5.313 1.00 0.84 H new ATOM 0 HG1 THR A 71 58.590 1.460 6.823 1.00 1.45 H new ATOM 0 HG21 THR A 71 57.913 -0.822 7.247 1.00 1.08 H new ATOM 0 HG22 THR A 71 59.107 -2.083 6.857 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.376 -1.000 8.244 1.00 1.08 H new ATOM 1056 N VAL A 72 62.262 -0.139 4.138 1.00 0.73 N ATOM 1057 CA VAL A 72 62.984 0.643 3.095 1.00 0.77 C ATOM 1058 C VAL A 72 62.256 0.535 1.753 1.00 0.80 C ATOM 1059 O VAL A 72 62.406 -0.431 1.030 1.00 1.00 O ATOM 1060 CB VAL A 72 64.368 0.001 3.006 1.00 0.85 C ATOM 1061 CG1 VAL A 72 65.204 0.732 1.955 1.00 1.13 C ATOM 1062 CG2 VAL A 72 65.061 0.099 4.368 1.00 1.13 C ATOM 0 H VAL A 72 62.053 -1.106 3.890 1.00 0.73 H new ATOM 0 HA VAL A 72 63.041 1.703 3.341 1.00 0.77 H new ATOM 0 HB VAL A 72 64.266 -1.047 2.723 1.00 0.85 H new ATOM 0 HG11 VAL A 72 66.191 0.274 1.892 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.710 0.664 0.986 1.00 1.13 H new ATOM 0 HG13 VAL A 72 65.308 1.780 2.237 1.00 1.13 H new ATOM 0 HG21 VAL A 72 66.049 -0.358 4.307 1.00 1.13 H new ATOM 0 HG22 VAL A 72 65.163 1.147 4.650 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.465 -0.422 5.118 1.00 1.13 H new ATOM 1072 N ASP A 73 61.470 1.518 1.416 1.00 0.77 N ATOM 1073 CA ASP A 73 60.734 1.473 0.120 1.00 0.83 C ATOM 1074 C ASP A 73 61.532 2.203 -0.963 1.00 0.87 C ATOM 1075 O ASP A 73 62.730 2.372 -0.856 1.00 0.87 O ATOM 1076 CB ASP A 73 59.414 2.194 0.392 1.00 0.85 C ATOM 1077 CG ASP A 73 59.699 3.632 0.831 1.00 1.80 C ATOM 1078 OD1 ASP A 73 60.359 3.802 1.841 1.00 2.57 O ATOM 1079 OD2 ASP A 73 59.251 4.538 0.147 1.00 2.47 O ATOM 0 H ASP A 73 61.304 2.351 1.981 1.00 0.77 H new ATOM 0 HA ASP A 73 60.576 0.454 -0.233 1.00 0.83 H new ATOM 0 HB2 ASP A 73 58.795 2.192 -0.505 1.00 0.85 H new ATOM 0 HB3 ASP A 73 58.854 1.670 1.167 1.00 0.85 H new ATOM 1084 N PHE A 74 60.876 2.640 -2.003 1.00 0.94 N ATOM 1085 CA PHE A 74 61.598 3.363 -3.089 1.00 0.98 C ATOM 1086 C PHE A 74 62.108 4.710 -2.569 1.00 0.86 C ATOM 1087 O PHE A 74 61.749 5.759 -3.065 1.00 0.83 O ATOM 1088 CB PHE A 74 60.555 3.566 -4.189 1.00 1.12 C ATOM 1089 CG PHE A 74 61.082 4.537 -5.217 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.460 4.632 -5.448 1.00 1.97 C ATOM 1091 CD2 PHE A 74 60.195 5.343 -5.939 1.00 2.22 C ATOM 1092 CE1 PHE A 74 62.950 5.535 -6.400 1.00 2.84 C ATOM 1093 CE2 PHE A 74 60.684 6.246 -6.891 1.00 3.01 C ATOM 1094 CZ PHE A 74 62.062 6.341 -7.122 1.00 3.18 C ATOM 0 H PHE A 74 59.873 2.528 -2.148 1.00 0.94 H new ATOM 0 HA PHE A 74 62.466 2.813 -3.452 1.00 0.98 H new ATOM 0 HB2 PHE A 74 60.321 2.612 -4.662 1.00 1.12 H new ATOM 0 HB3 PHE A 74 59.628 3.945 -3.759 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.145 4.009 -4.892 1.00 1.97 H new ATOM 0 HD2 PHE A 74 59.132 5.269 -5.762 1.00 2.22 H new ATOM 0 HE1 PHE A 74 64.013 5.609 -6.577 1.00 2.84 H new ATOM 0 HE2 PHE A 74 59.999 6.869 -7.447 1.00 3.01 H new ATOM 0 HZ PHE A 74 62.440 7.036 -7.857 1.00 3.18 H new ATOM 1104 N ASP A 75 62.942 4.684 -1.568 1.00 0.83 N ATOM 1105 CA ASP A 75 63.482 5.954 -1.006 1.00 0.76 C ATOM 1106 C ASP A 75 64.604 5.642 -0.017 1.00 0.69 C ATOM 1107 O ASP A 75 65.760 5.922 -0.264 1.00 0.65 O ATOM 1108 CB ASP A 75 62.298 6.606 -0.290 1.00 0.81 C ATOM 1109 CG ASP A 75 62.049 7.997 -0.878 1.00 0.99 C ATOM 1110 OD1 ASP A 75 61.806 8.079 -2.072 1.00 1.49 O ATOM 1111 OD2 ASP A 75 62.105 8.955 -0.127 1.00 1.57 O ATOM 0 H ASP A 75 63.275 3.834 -1.112 1.00 0.83 H new ATOM 0 HA ASP A 75 63.899 6.608 -1.772 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.407 5.988 -0.401 1.00 0.81 H new ATOM 0 HB3 ASP A 75 62.502 6.682 0.778 1.00 0.81 H new ATOM 1116 N GLU A 76 64.275 5.052 1.100 1.00 0.77 N ATOM 1117 CA GLU A 76 65.328 4.711 2.095 1.00 0.78 C ATOM 1118 C GLU A 76 66.297 3.697 1.482 1.00 0.70 C ATOM 1119 O GLU A 76 67.394 3.497 1.963 1.00 0.70 O ATOM 1120 CB GLU A 76 64.577 4.093 3.276 1.00 0.95 C ATOM 1121 CG GLU A 76 63.370 4.964 3.626 1.00 1.51 C ATOM 1122 CD GLU A 76 63.173 4.977 5.144 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.968 4.355 5.830 1.00 1.94 O ATOM 1124 OE2 GLU A 76 62.231 5.607 5.595 1.00 1.72 O ATOM 0 H GLU A 76 63.325 4.792 1.365 1.00 0.77 H new ATOM 0 HA GLU A 76 65.913 5.578 2.403 1.00 0.78 H new ATOM 0 HB2 GLU A 76 64.250 3.084 3.025 1.00 0.95 H new ATOM 0 HB3 GLU A 76 65.239 4.008 4.137 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.522 5.979 3.260 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.476 4.579 3.136 1.00 1.51 H new ATOM 1131 N PHE A 77 65.895 3.059 0.416 1.00 0.72 N ATOM 1132 CA PHE A 77 66.785 2.060 -0.241 1.00 0.73 C ATOM 1133 C PHE A 77 67.957 2.770 -0.923 1.00 0.67 C ATOM 1134 O PHE A 77 69.108 2.478 -0.663 1.00 0.69 O ATOM 1135 CB PHE A 77 65.902 1.362 -1.277 1.00 0.84 C ATOM 1136 CG PHE A 77 66.661 0.206 -1.885 1.00 0.97 C ATOM 1137 CD1 PHE A 77 67.419 -0.639 -1.067 1.00 1.83 C ATOM 1138 CD2 PHE A 77 66.604 -0.021 -3.265 1.00 1.32 C ATOM 1139 CE1 PHE A 77 68.123 -1.711 -1.628 1.00 2.03 C ATOM 1140 CE2 PHE A 77 67.307 -1.094 -3.827 1.00 1.48 C ATOM 1141 CZ PHE A 77 68.066 -1.939 -3.009 1.00 1.46 C ATOM 0 H PHE A 77 64.986 3.187 -0.029 1.00 0.72 H new ATOM 0 HA PHE A 77 67.211 1.353 0.471 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.986 1.003 -0.808 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.607 2.067 -2.054 1.00 0.84 H new ATOM 0 HD1 PHE A 77 67.461 -0.464 -0.002 1.00 1.83 H new ATOM 0 HD2 PHE A 77 66.018 0.631 -3.896 1.00 1.32 H new ATOM 0 HE1 PHE A 77 68.710 -2.362 -0.997 1.00 2.03 H new ATOM 0 HE2 PHE A 77 67.263 -1.270 -4.892 1.00 1.48 H new ATOM 0 HZ PHE A 77 68.608 -2.767 -3.443 1.00 1.46 H new ATOM 1151 N LEU A 78 67.675 3.708 -1.785 1.00 0.66 N ATOM 1152 CA LEU A 78 68.778 4.441 -2.472 1.00 0.68 C ATOM 1153 C LEU A 78 69.513 5.320 -1.462 1.00 0.62 C ATOM 1154 O LEU A 78 70.628 5.744 -1.687 1.00 0.64 O ATOM 1155 CB LEU A 78 68.095 5.294 -3.544 1.00 0.77 C ATOM 1156 CG LEU A 78 67.044 4.463 -4.290 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.674 5.169 -5.595 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.610 3.076 -4.608 1.00 1.41 C ATOM 0 H LEU A 78 66.732 3.999 -2.043 1.00 0.66 H new ATOM 0 HA LEU A 78 69.515 3.770 -2.913 1.00 0.68 H new ATOM 0 HB2 LEU A 78 67.623 6.162 -3.083 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.838 5.671 -4.247 1.00 0.77 H new ATOM 0 HG LEU A 78 66.158 4.356 -3.664 1.00 0.96 H new ATOM 0 HD11 LEU A 78 65.927 4.581 -6.128 1.00 1.55 H new ATOM 0 HD12 LEU A 78 66.268 6.156 -5.372 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.563 5.275 -6.216 1.00 1.55 H new ATOM 0 HD21 LEU A 78 66.859 2.490 -5.138 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.497 3.180 -5.233 1.00 1.41 H new ATOM 0 HD23 LEU A 78 67.877 2.570 -3.680 1.00 1.41 H new ATOM 1170 N VAL A 79 68.898 5.582 -0.342 1.00 0.59 N ATOM 1171 CA VAL A 79 69.563 6.419 0.695 1.00 0.61 C ATOM 1172 C VAL A 79 70.443 5.531 1.575 1.00 0.63 C ATOM 1173 O VAL A 79 71.460 5.954 2.089 1.00 0.68 O ATOM 1174 CB VAL A 79 68.421 7.019 1.514 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.994 7.779 2.710 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.617 7.979 0.636 1.00 0.70 C ATOM 0 H VAL A 79 67.963 5.252 -0.100 1.00 0.59 H new ATOM 0 HA VAL A 79 70.201 7.193 0.267 1.00 0.61 H new ATOM 0 HB VAL A 79 67.771 6.221 1.871 1.00 0.63 H new ATOM 0 HG11 VAL A 79 68.179 8.207 3.294 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.568 7.095 3.335 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.645 8.578 2.355 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.802 8.408 1.218 1.00 0.70 H new ATOM 0 HG22 VAL A 79 68.268 8.777 0.279 1.00 0.70 H new ATOM 0 HG23 VAL A 79 67.208 7.436 -0.216 1.00 0.70 H new ATOM 1186 N MET A 80 70.054 4.297 1.747 1.00 0.65 N ATOM 1187 CA MET A 80 70.860 3.368 2.587 1.00 0.72 C ATOM 1188 C MET A 80 72.200 3.074 1.907 1.00 0.71 C ATOM 1189 O MET A 80 73.075 2.455 2.480 1.00 0.76 O ATOM 1190 CB MET A 80 70.019 2.095 2.690 1.00 0.80 C ATOM 1191 CG MET A 80 70.725 1.088 3.601 1.00 1.12 C ATOM 1192 SD MET A 80 70.620 -0.565 2.869 1.00 2.17 S ATOM 1193 CE MET A 80 69.520 -1.295 4.107 1.00 2.77 C ATOM 0 H MET A 80 69.211 3.892 1.341 1.00 0.65 H new ATOM 0 HA MET A 80 71.085 3.786 3.568 1.00 0.72 H new ATOM 0 HB2 MET A 80 69.031 2.330 3.087 1.00 0.80 H new ATOM 0 HB3 MET A 80 69.870 1.664 1.700 1.00 0.80 H new ATOM 0 HG2 MET A 80 71.769 1.372 3.735 1.00 1.12 H new ATOM 0 HG3 MET A 80 70.264 1.090 4.589 1.00 1.12 H new ATOM 0 HE1 MET A 80 69.736 -2.359 4.203 1.00 2.77 H new ATOM 0 HE2 MET A 80 69.677 -0.804 5.068 1.00 2.77 H new ATOM 0 HE3 MET A 80 68.484 -1.162 3.797 1.00 2.77 H new ATOM 1203 N MET A 81 72.371 3.516 0.690 1.00 0.69 N ATOM 1204 CA MET A 81 73.664 3.260 -0.016 1.00 0.74 C ATOM 1205 C MET A 81 74.523 4.525 0.004 1.00 0.75 C ATOM 1206 O MET A 81 75.704 4.477 0.282 1.00 0.82 O ATOM 1207 CB MET A 81 73.330 2.857 -1.471 1.00 0.73 C ATOM 1208 CG MET A 81 71.815 2.837 -1.729 1.00 0.89 C ATOM 1209 SD MET A 81 71.462 1.742 -3.124 1.00 1.41 S ATOM 1210 CE MET A 81 71.877 0.187 -2.295 1.00 1.21 C ATOM 0 H MET A 81 71.678 4.040 0.156 1.00 0.69 H new ATOM 0 HA MET A 81 74.224 2.464 0.476 1.00 0.74 H new ATOM 0 HB2 MET A 81 73.806 3.556 -2.159 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.746 1.871 -1.679 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.287 2.493 -0.839 1.00 0.89 H new ATOM 0 HG3 MET A 81 71.457 3.844 -1.943 1.00 0.89 H new ATOM 0 HE1 MET A 81 71.213 -0.602 -2.648 1.00 1.21 H new ATOM 0 HE2 MET A 81 72.910 -0.080 -2.519 1.00 1.21 H new ATOM 0 HE3 MET A 81 71.759 0.306 -1.218 1.00 1.21 H new ATOM 1220 N VAL A 82 73.943 5.661 -0.275 1.00 0.72 N ATOM 1221 CA VAL A 82 74.739 6.921 -0.255 1.00 0.78 C ATOM 1222 C VAL A 82 75.496 7.023 1.071 1.00 0.81 C ATOM 1223 O VAL A 82 76.503 7.696 1.177 1.00 0.93 O ATOM 1224 CB VAL A 82 73.711 8.045 -0.376 1.00 0.80 C ATOM 1225 CG1 VAL A 82 74.426 9.397 -0.360 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.945 7.892 -1.690 1.00 1.36 C ATOM 0 H VAL A 82 72.958 5.771 -0.515 1.00 0.72 H new ATOM 0 HA VAL A 82 75.476 6.966 -1.056 1.00 0.78 H new ATOM 0 HB VAL A 82 73.016 7.992 0.462 1.00 0.80 H new ATOM 0 HG11 VAL A 82 73.692 10.198 -0.446 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.975 9.507 0.575 1.00 1.08 H new ATOM 0 HG13 VAL A 82 75.122 9.451 -1.197 1.00 1.08 H new ATOM 0 HG21 VAL A 82 72.211 8.693 -1.779 1.00 1.36 H new ATOM 0 HG22 VAL A 82 73.642 7.945 -2.526 1.00 1.36 H new ATOM 0 HG23 VAL A 82 72.435 6.929 -1.704 1.00 1.36 H new ATOM 1236 N ARG A 83 75.017 6.351 2.080 1.00 0.79 N ATOM 1237 CA ARG A 83 75.700 6.390 3.405 1.00 0.85 C ATOM 1238 C ARG A 83 76.597 5.162 3.563 1.00 0.90 C ATOM 1239 O ARG A 83 77.505 5.140 4.371 1.00 1.00 O ATOM 1240 CB ARG A 83 74.563 6.360 4.429 1.00 0.87 C ATOM 1241 CG ARG A 83 74.955 7.181 5.659 1.00 1.07 C ATOM 1242 CD ARG A 83 73.718 7.410 6.531 1.00 0.92 C ATOM 1243 NE ARG A 83 73.891 8.776 7.094 1.00 1.62 N ATOM 1244 CZ ARG A 83 74.267 8.927 8.334 1.00 1.83 C ATOM 1245 NH1 ARG A 83 75.529 8.835 8.649 1.00 2.14 N ATOM 1246 NH2 ARG A 83 73.378 9.169 9.259 1.00 2.49 N ATOM 0 H ARG A 83 74.177 5.773 2.045 1.00 0.79 H new ATOM 0 HA ARG A 83 76.335 7.268 3.525 1.00 0.85 H new ATOM 0 HB2 ARG A 83 73.652 6.762 3.987 1.00 0.87 H new ATOM 0 HB3 ARG A 83 74.349 5.331 4.719 1.00 0.87 H new ATOM 0 HG2 ARG A 83 75.724 6.659 6.229 1.00 1.07 H new ATOM 0 HG3 ARG A 83 75.379 8.137 5.352 1.00 1.07 H new ATOM 0 HD2 ARG A 83 72.802 7.338 5.944 1.00 0.92 H new ATOM 0 HD3 ARG A 83 73.649 6.663 7.322 1.00 0.92 H new ATOM 0 HE ARG A 83 73.716 9.594 6.511 1.00 1.62 H new ATOM 0 HH11 ARG A 83 76.223 8.645 7.926 1.00 2.14 H new ATOM 0 HH12 ARG A 83 75.823 8.953 9.619 1.00 2.14 H new ATOM 0 HH21 ARG A 83 72.391 9.240 9.012 1.00 2.49 H new ATOM 0 HH22 ARG A 83 73.670 9.287 10.229 1.00 2.49 H new ATOM 1260 N SER A 84 76.349 4.137 2.792 1.00 0.92 N ATOM 1261 CA SER A 84 77.183 2.904 2.890 1.00 1.01 C ATOM 1262 C SER A 84 78.031 2.740 1.625 1.00 1.06 C ATOM 1263 O SER A 84 78.747 1.771 1.468 1.00 1.38 O ATOM 1264 CB SER A 84 76.180 1.758 3.015 1.00 1.04 C ATOM 1265 OG SER A 84 75.746 1.658 4.366 1.00 1.52 O ATOM 0 H SER A 84 75.603 4.100 2.097 1.00 0.92 H new ATOM 0 HA SER A 84 77.873 2.936 3.734 1.00 1.01 H new ATOM 0 HB2 SER A 84 75.327 1.933 2.359 1.00 1.04 H new ATOM 0 HB3 SER A 84 76.639 0.822 2.698 1.00 1.04 H new ATOM 0 HG SER A 84 74.785 1.846 4.416 1.00 1.52 H new ATOM 1271 N MET A 85 77.954 3.680 0.723 1.00 0.00 N ATOM 1272 CA MET A 85 78.751 3.577 -0.533 1.00 0.00 C ATOM 1273 C MET A 85 80.238 3.798 -0.236 1.00 0.00 C ATOM 1274 O MET A 85 81.083 3.028 -0.645 1.00 0.00 O ATOM 1275 CB MET A 85 78.213 4.688 -1.435 1.00 0.00 C ATOM 1276 CG MET A 85 77.181 4.105 -2.402 1.00 0.00 C ATOM 1277 SD MET A 85 76.340 5.450 -3.273 1.00 0.00 S ATOM 1278 CE MET A 85 75.166 4.425 -4.192 1.00 0.00 C ATOM 0 H MET A 85 77.374 4.515 0.801 1.00 0.00 H new ATOM 0 HA MET A 85 78.663 2.595 -0.999 1.00 0.00 H new ATOM 0 HB2 MET A 85 77.758 5.473 -0.831 1.00 0.00 H new ATOM 0 HB3 MET A 85 79.030 5.147 -1.992 1.00 0.00 H new ATOM 0 HG2 MET A 85 77.670 3.444 -3.118 1.00 0.00 H new ATOM 0 HG3 MET A 85 76.456 3.502 -1.856 1.00 0.00 H new ATOM 0 HE1 MET A 85 75.427 4.433 -5.250 1.00 0.00 H new ATOM 0 HE2 MET A 85 75.204 3.402 -3.817 1.00 0.00 H new ATOM 0 HE3 MET A 85 74.159 4.821 -4.064 1.00 0.00 H new