USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 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 35 CYS SG : rot 115:sc= 0.34 USER MOD Set 1.2: A 69 SER OG : rot -134:sc= 1.17 USER MOD Set 1.3: A 71 THR OG1 : rot 123:sc= 0.0923 USER MOD Set 2.1: A 45 MET CE :methyl 180:sc= -0.0222 (180deg=0) USER MOD Set 2.2: A 50 GLN : amide:sc= -3.61! C(o=-7.1!,f=-17!) USER MOD Set 2.3: A 81 MET CE :methyl 151:sc= -3.51! (180deg=-2.83!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00204) USER MOD Single : A 11 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.4!) USER MOD Single : A 13 THR OG1 : rot -98:sc= -0.0843 USER MOD Single : A 16 GLN : amide:sc= -0.407 K(o=-0.41,f=-3.8!) USER MOD Single : A 17 LYS NZ :NH3+ -106:sc= 0.327 (180deg=-0.0479) USER MOD Single : A 18 ASN : amide:sc= -2.19! C(o=-2.2!,f=-3.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 170:sc= -0.0954 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.194 K(o=-0.19,f=-2.9!) USER MOD Single : A 53 THR OG1 : rot -85:sc= -1.09 USER MOD Single : A 58 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.11) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -111:sc= -5.6! (180deg=-7.21!) USER MOD Single : A 84 CYS SG : rot -15:sc= 0.189 USER MOD Single : A 85 MET CE :methyl -132:sc= -0.0274 (180deg=-1.24) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR A 5 78.341 -3.119 9.440 1.00 1.29 N ATOM 64 CA TYR A 5 77.539 -3.040 8.187 1.00 1.15 C ATOM 65 C TYR A 5 77.974 -1.827 7.361 1.00 1.04 C ATOM 66 O TYR A 5 78.157 -1.915 6.162 1.00 1.02 O ATOM 67 CB TYR A 5 76.092 -2.882 8.653 1.00 1.16 C ATOM 68 CG TYR A 5 75.512 -4.243 8.957 1.00 1.39 C ATOM 69 CD1 TYR A 5 75.735 -4.833 10.207 1.00 1.89 C ATOM 70 CD2 TYR A 5 74.753 -4.913 7.990 1.00 1.97 C ATOM 71 CE1 TYR A 5 75.199 -6.096 10.489 1.00 2.12 C ATOM 72 CE2 TYR A 5 74.216 -6.174 8.273 1.00 2.21 C ATOM 73 CZ TYR A 5 74.440 -6.766 9.523 1.00 1.97 C ATOM 74 OH TYR A 5 73.910 -8.009 9.803 1.00 2.28 O ATOM 0 HA TYR A 5 77.668 -3.919 7.555 1.00 1.15 H new ATOM 0 HB2 TYR A 5 76.051 -2.250 9.540 1.00 1.16 H new ATOM 0 HB3 TYR A 5 75.502 -2.387 7.882 1.00 1.16 H new ATOM 0 HD1 TYR A 5 76.320 -4.315 10.953 1.00 1.89 H new ATOM 0 HD2 TYR A 5 74.582 -4.457 7.026 1.00 1.97 H new ATOM 0 HE1 TYR A 5 75.372 -6.553 11.452 1.00 2.12 H new ATOM 0 HE2 TYR A 5 73.629 -6.691 7.528 1.00 2.21 H new ATOM 0 HH TYR A 5 73.410 -8.334 9.026 1.00 2.28 H new ATOM 84 N LYS A 6 78.144 -0.697 7.990 1.00 1.08 N ATOM 85 CA LYS A 6 78.570 0.516 7.238 1.00 1.15 C ATOM 86 C LYS A 6 79.789 0.191 6.370 1.00 1.34 C ATOM 87 O LYS A 6 79.922 0.676 5.264 1.00 1.48 O ATOM 88 CB LYS A 6 78.930 1.544 8.311 1.00 1.28 C ATOM 89 CG LYS A 6 77.820 2.595 8.401 1.00 1.93 C ATOM 90 CD LYS A 6 78.432 3.957 8.731 1.00 2.17 C ATOM 91 CE LYS A 6 77.695 5.050 7.952 1.00 3.13 C ATOM 92 NZ LYS A 6 78.315 5.041 6.597 1.00 3.45 N ATOM 0 H LYS A 6 78.006 -0.561 8.992 1.00 1.08 H new ATOM 0 HA LYS A 6 77.792 0.886 6.570 1.00 1.15 H new ATOM 0 HB2 LYS A 6 79.058 1.051 9.275 1.00 1.28 H new ATOM 0 HB3 LYS A 6 79.879 2.022 8.069 1.00 1.28 H new ATOM 0 HG2 LYS A 6 77.277 2.648 7.457 1.00 1.93 H new ATOM 0 HG3 LYS A 6 77.099 2.313 9.168 1.00 1.93 H new ATOM 0 HD2 LYS A 6 78.363 4.149 9.802 1.00 2.17 H new ATOM 0 HD3 LYS A 6 79.491 3.964 8.474 1.00 2.17 H new ATOM 0 HE2 LYS A 6 76.626 4.844 7.898 1.00 3.13 H new ATOM 0 HE3 LYS A 6 77.809 6.022 8.432 1.00 3.13 H new ATOM 0 HZ1 LYS A 6 77.910 5.809 6.025 1.00 3.45 H new ATOM 0 HZ2 LYS A 6 79.342 5.179 6.684 1.00 3.45 H new ATOM 0 HZ3 LYS A 6 78.126 4.129 6.135 1.00 3.45 H new ATOM 106 N ALA A 7 80.675 -0.632 6.861 1.00 1.45 N ATOM 107 CA ALA A 7 81.880 -0.991 6.060 1.00 1.74 C ATOM 108 C ALA A 7 81.475 -1.860 4.868 1.00 1.74 C ATOM 109 O ALA A 7 82.237 -2.060 3.942 1.00 1.92 O ATOM 110 CB ALA A 7 82.775 -1.778 7.018 1.00 1.95 C ATOM 0 H ALA A 7 80.617 -1.071 7.780 1.00 1.45 H new ATOM 0 HA ALA A 7 82.388 -0.114 5.659 1.00 1.74 H new ATOM 0 HB1 ALA A 7 83.686 -2.079 6.501 1.00 1.95 H new ATOM 0 HB2 ALA A 7 83.033 -1.152 7.872 1.00 1.95 H new ATOM 0 HB3 ALA A 7 82.245 -2.665 7.365 1.00 1.95 H new ATOM 116 N ALA A 8 80.277 -2.379 4.882 1.00 1.60 N ATOM 117 CA ALA A 8 79.820 -3.233 3.749 1.00 1.68 C ATOM 118 C ALA A 8 79.319 -2.357 2.598 1.00 1.49 C ATOM 119 O ALA A 8 79.800 -2.440 1.485 1.00 1.62 O ATOM 120 CB ALA A 8 78.677 -4.073 4.322 1.00 1.71 C ATOM 0 H ALA A 8 79.595 -2.248 5.629 1.00 1.60 H new ATOM 0 HA ALA A 8 80.621 -3.855 3.350 1.00 1.68 H new ATOM 0 HB1 ALA A 8 78.285 -4.731 3.547 1.00 1.71 H new ATOM 0 HB2 ALA A 8 79.047 -4.673 5.153 1.00 1.71 H new ATOM 0 HB3 ALA A 8 77.883 -3.415 4.675 1.00 1.71 H new ATOM 126 N VAL A 9 78.356 -1.516 2.859 1.00 1.25 N ATOM 127 CA VAL A 9 77.823 -0.632 1.782 1.00 1.20 C ATOM 128 C VAL A 9 78.973 0.071 1.056 1.00 1.40 C ATOM 129 O VAL A 9 78.853 0.458 -0.089 1.00 1.41 O ATOM 130 CB VAL A 9 76.950 0.391 2.508 1.00 1.13 C ATOM 131 CG1 VAL A 9 76.533 1.492 1.531 1.00 1.83 C ATOM 132 CG2 VAL A 9 75.704 -0.304 3.058 1.00 1.52 C ATOM 0 H VAL A 9 77.915 -1.402 3.771 1.00 1.25 H new ATOM 0 HA VAL A 9 77.264 -1.189 1.030 1.00 1.20 H new ATOM 0 HB VAL A 9 77.513 0.832 3.330 1.00 1.13 H new ATOM 0 HG11 VAL A 9 75.910 2.221 2.049 1.00 1.83 H new ATOM 0 HG12 VAL A 9 77.422 1.987 1.139 1.00 1.83 H new ATOM 0 HG13 VAL A 9 75.969 1.053 0.708 1.00 1.83 H new ATOM 0 HG21 VAL A 9 75.080 0.424 3.576 1.00 1.52 H new ATOM 0 HG22 VAL A 9 75.140 -0.745 2.236 1.00 1.52 H new ATOM 0 HG23 VAL A 9 76.002 -1.087 3.755 1.00 1.52 H new ATOM 142 N GLU A 10 80.086 0.241 1.715 1.00 1.64 N ATOM 143 CA GLU A 10 81.242 0.924 1.065 1.00 1.94 C ATOM 144 C GLU A 10 81.960 -0.039 0.116 1.00 1.97 C ATOM 145 O GLU A 10 82.545 0.367 -0.869 1.00 2.19 O ATOM 146 CB GLU A 10 82.161 1.327 2.218 1.00 2.23 C ATOM 147 CG GLU A 10 81.665 2.638 2.832 1.00 2.75 C ATOM 148 CD GLU A 10 82.780 3.261 3.674 1.00 3.11 C ATOM 149 OE1 GLU A 10 83.934 3.054 3.340 1.00 3.61 O ATOM 150 OE2 GLU A 10 82.458 3.935 4.640 1.00 3.35 O ATOM 0 H GLU A 10 80.246 -0.063 2.675 1.00 1.64 H new ATOM 0 HA GLU A 10 80.934 1.783 0.470 1.00 1.94 H new ATOM 0 HB2 GLU A 10 82.178 0.542 2.974 1.00 2.23 H new ATOM 0 HB3 GLU A 10 83.183 1.445 1.858 1.00 2.23 H new ATOM 0 HG2 GLU A 10 81.360 3.328 2.045 1.00 2.75 H new ATOM 0 HG3 GLU A 10 80.787 2.453 3.451 1.00 2.75 H new ATOM 157 N GLN A 11 81.923 -1.310 0.403 1.00 1.87 N ATOM 158 CA GLN A 11 82.606 -2.294 -0.485 1.00 2.00 C ATOM 159 C GLN A 11 82.050 -2.197 -1.909 1.00 1.46 C ATOM 160 O GLN A 11 82.739 -2.463 -2.874 1.00 1.69 O ATOM 161 CB GLN A 11 82.289 -3.662 0.122 1.00 2.54 C ATOM 162 CG GLN A 11 82.941 -3.771 1.502 1.00 3.27 C ATOM 163 CD GLN A 11 84.453 -3.936 1.340 1.00 3.83 C ATOM 164 OE1 GLN A 11 84.911 -4.559 0.403 1.00 4.41 O ATOM 165 NE2 GLN A 11 85.253 -3.400 2.220 1.00 3.95 N ATOM 0 H GLN A 11 81.450 -1.711 1.213 1.00 1.87 H new ATOM 0 HA GLN A 11 83.679 -2.116 -0.550 1.00 2.00 H new ATOM 0 HB2 GLN A 11 81.210 -3.793 0.206 1.00 2.54 H new ATOM 0 HB3 GLN A 11 82.657 -4.455 -0.529 1.00 2.54 H new ATOM 0 HG2 GLN A 11 82.723 -2.880 2.091 1.00 3.27 H new ATOM 0 HG3 GLN A 11 82.528 -4.621 2.045 1.00 3.27 H new ATOM 0 HE21 GLN A 11 84.869 -2.877 3.007 1.00 3.95 H new ATOM 0 HE22 GLN A 11 86.263 -3.504 2.121 1.00 3.95 H new ATOM 174 N LEU A 12 80.808 -1.818 -2.045 1.00 1.14 N ATOM 175 CA LEU A 12 80.207 -1.704 -3.405 1.00 1.23 C ATOM 176 C LEU A 12 81.129 -0.902 -4.329 1.00 1.75 C ATOM 177 O LEU A 12 81.879 -0.054 -3.891 1.00 2.52 O ATOM 178 CB LEU A 12 78.884 -0.966 -3.192 1.00 1.10 C ATOM 179 CG LEU A 12 77.942 -1.836 -2.359 1.00 1.16 C ATOM 180 CD1 LEU A 12 76.717 -1.017 -1.950 1.00 1.74 C ATOM 181 CD2 LEU A 12 77.496 -3.042 -3.188 1.00 1.62 C ATOM 0 H LEU A 12 80.184 -1.582 -1.274 1.00 1.14 H new ATOM 0 HA LEU A 12 80.060 -2.677 -3.874 1.00 1.23 H new ATOM 0 HB2 LEU A 12 79.062 -0.017 -2.686 1.00 1.10 H new ATOM 0 HB3 LEU A 12 78.426 -0.734 -4.154 1.00 1.10 H new ATOM 0 HG LEU A 12 78.462 -2.181 -1.465 1.00 1.16 H new ATOM 0 HD11 LEU A 12 76.046 -1.638 -1.356 1.00 1.74 H new ATOM 0 HD12 LEU A 12 77.034 -0.158 -1.359 1.00 1.74 H new ATOM 0 HD13 LEU A 12 76.196 -0.671 -2.843 1.00 1.74 H new ATOM 0 HD21 LEU A 12 76.824 -3.663 -2.595 1.00 1.62 H new ATOM 0 HD22 LEU A 12 76.977 -2.697 -4.082 1.00 1.62 H new ATOM 0 HD23 LEU A 12 78.369 -3.627 -3.478 1.00 1.62 H new ATOM 193 N THR A 13 81.078 -1.166 -5.607 1.00 1.74 N ATOM 194 CA THR A 13 81.952 -0.420 -6.560 1.00 2.37 C ATOM 195 C THR A 13 81.239 0.845 -7.051 1.00 2.28 C ATOM 196 O THR A 13 80.046 0.999 -6.884 1.00 1.84 O ATOM 197 CB THR A 13 82.186 -1.387 -7.721 1.00 2.87 C ATOM 198 OG1 THR A 13 80.988 -2.101 -7.990 1.00 2.80 O ATOM 199 CG2 THR A 13 83.296 -2.373 -7.349 1.00 3.47 C ATOM 0 H THR A 13 80.470 -1.865 -6.033 1.00 1.74 H new ATOM 0 HA THR A 13 82.887 -0.100 -6.100 1.00 2.37 H new ATOM 0 HB THR A 13 82.482 -0.826 -8.608 1.00 2.87 H new ATOM 0 HG1 THR A 13 81.026 -2.979 -7.556 1.00 2.80 H new ATOM 0 HG21 THR A 13 83.463 -3.062 -8.177 1.00 3.47 H new ATOM 0 HG22 THR A 13 84.215 -1.825 -7.142 1.00 3.47 H new ATOM 0 HG23 THR A 13 83.002 -2.935 -6.463 1.00 3.47 H new ATOM 207 N GLU A 14 81.961 1.751 -7.654 1.00 2.79 N ATOM 208 CA GLU A 14 81.316 3.002 -8.151 1.00 2.85 C ATOM 209 C GLU A 14 80.314 2.670 -9.261 1.00 2.54 C ATOM 210 O GLU A 14 79.300 3.322 -9.411 1.00 2.21 O ATOM 211 CB GLU A 14 82.468 3.862 -8.686 1.00 3.57 C ATOM 212 CG GLU A 14 82.867 3.392 -10.088 1.00 3.91 C ATOM 213 CD GLU A 14 84.108 4.161 -10.549 1.00 4.24 C ATOM 214 OE1 GLU A 14 84.052 5.379 -10.569 1.00 4.48 O ATOM 215 OE2 GLU A 14 85.093 3.517 -10.875 1.00 4.66 O ATOM 0 H GLU A 14 82.964 1.680 -7.824 1.00 2.79 H new ATOM 0 HA GLU A 14 80.759 3.522 -7.372 1.00 2.85 H new ATOM 0 HB2 GLU A 14 82.167 4.909 -8.717 1.00 3.57 H new ATOM 0 HB3 GLU A 14 83.324 3.796 -8.014 1.00 3.57 H new ATOM 0 HG2 GLU A 14 83.071 2.321 -10.080 1.00 3.91 H new ATOM 0 HG3 GLU A 14 82.045 3.554 -10.785 1.00 3.91 H new ATOM 222 N GLU A 15 80.590 1.657 -10.037 1.00 2.73 N ATOM 223 CA GLU A 15 79.652 1.279 -11.132 1.00 2.59 C ATOM 224 C GLU A 15 78.324 0.798 -10.542 1.00 2.19 C ATOM 225 O GLU A 15 77.276 0.960 -11.132 1.00 2.08 O ATOM 226 CB GLU A 15 80.352 0.143 -11.879 1.00 3.01 C ATOM 227 CG GLU A 15 80.609 -1.019 -10.917 1.00 3.67 C ATOM 228 CD GLU A 15 79.406 -1.963 -10.922 1.00 4.32 C ATOM 229 OE1 GLU A 15 78.545 -1.789 -11.768 1.00 4.98 O ATOM 230 OE2 GLU A 15 79.366 -2.844 -10.079 1.00 4.51 O ATOM 0 H GLU A 15 81.424 1.075 -9.960 1.00 2.73 H new ATOM 0 HA GLU A 15 79.423 2.117 -11.791 1.00 2.59 H new ATOM 0 HB2 GLU A 15 79.736 -0.192 -12.714 1.00 3.01 H new ATOM 0 HB3 GLU A 15 81.294 0.496 -12.299 1.00 3.01 H new ATOM 0 HG2 GLU A 15 81.509 -1.558 -11.214 1.00 3.67 H new ATOM 0 HG3 GLU A 15 80.782 -0.639 -9.910 1.00 3.67 H new ATOM 237 N GLN A 16 78.364 0.208 -9.378 1.00 2.04 N ATOM 238 CA GLN A 16 77.106 -0.282 -8.746 1.00 1.73 C ATOM 239 C GLN A 16 76.438 0.848 -7.959 1.00 1.35 C ATOM 240 O GLN A 16 75.346 1.276 -8.276 1.00 1.17 O ATOM 241 CB GLN A 16 77.546 -1.404 -7.804 1.00 1.74 C ATOM 242 CG GLN A 16 76.315 -2.149 -7.283 1.00 2.16 C ATOM 243 CD GLN A 16 76.555 -3.657 -7.378 1.00 2.30 C ATOM 244 OE1 GLN A 16 77.599 -4.091 -7.819 1.00 3.06 O ATOM 245 NE2 GLN A 16 75.623 -4.479 -6.981 1.00 2.19 N ATOM 0 H GLN A 16 79.213 0.044 -8.838 1.00 2.04 H new ATOM 0 HA GLN A 16 76.381 -0.630 -9.482 1.00 1.73 H new ATOM 0 HB2 GLN A 16 78.207 -2.095 -8.328 1.00 1.74 H new ATOM 0 HB3 GLN A 16 78.114 -0.991 -6.970 1.00 1.74 H new ATOM 0 HG2 GLN A 16 76.115 -1.866 -6.249 1.00 2.16 H new ATOM 0 HG3 GLN A 16 75.436 -1.872 -7.865 1.00 2.16 H new ATOM 0 HE21 GLN A 16 74.745 -4.114 -6.610 1.00 2.19 H new ATOM 0 HE22 GLN A 16 75.772 -5.486 -7.041 1.00 2.19 H new ATOM 254 N LYS A 17 77.086 1.336 -6.937 1.00 1.41 N ATOM 255 CA LYS A 17 76.486 2.441 -6.134 1.00 1.21 C ATOM 256 C LYS A 17 75.889 3.499 -7.065 1.00 1.08 C ATOM 257 O LYS A 17 74.842 4.054 -6.798 1.00 0.97 O ATOM 258 CB LYS A 17 77.648 3.026 -5.331 1.00 1.52 C ATOM 259 CG LYS A 17 78.000 2.083 -4.180 1.00 2.28 C ATOM 260 CD LYS A 17 79.490 2.202 -3.856 1.00 2.64 C ATOM 261 CE LYS A 17 79.668 2.463 -2.359 1.00 2.74 C ATOM 262 NZ LYS A 17 81.108 2.806 -2.196 1.00 2.91 N ATOM 0 H LYS A 17 78.003 1.019 -6.623 1.00 1.41 H new ATOM 0 HA LYS A 17 75.681 2.094 -5.486 1.00 1.21 H new ATOM 0 HB2 LYS A 17 78.515 3.168 -5.977 1.00 1.52 H new ATOM 0 HB3 LYS A 17 77.377 4.007 -4.941 1.00 1.52 H new ATOM 0 HG2 LYS A 17 77.406 2.329 -3.300 1.00 2.28 H new ATOM 0 HG3 LYS A 17 77.758 1.056 -4.451 1.00 2.28 H new ATOM 0 HD2 LYS A 17 80.009 1.287 -4.141 1.00 2.64 H new ATOM 0 HD3 LYS A 17 79.935 3.013 -4.433 1.00 2.64 H new ATOM 0 HE2 LYS A 17 79.028 3.278 -2.022 1.00 2.74 H new ATOM 0 HE3 LYS A 17 79.403 1.585 -1.771 1.00 2.74 H new ATOM 0 HZ1 LYS A 17 81.608 2.006 -1.757 1.00 2.91 H new ATOM 0 HZ2 LYS A 17 81.525 3.006 -3.128 1.00 2.91 H new ATOM 0 HZ3 LYS A 17 81.198 3.646 -1.589 1.00 2.91 H new ATOM 276 N ASN A 18 76.545 3.778 -8.156 1.00 1.19 N ATOM 277 CA ASN A 18 76.015 4.797 -9.106 1.00 1.13 C ATOM 278 C ASN A 18 74.634 4.374 -9.613 1.00 0.92 C ATOM 279 O ASN A 18 73.745 5.186 -9.778 1.00 0.77 O ATOM 280 CB ASN A 18 77.021 4.830 -10.255 1.00 1.38 C ATOM 281 CG ASN A 18 78.227 5.684 -9.854 1.00 1.81 C ATOM 282 OD1 ASN A 18 78.348 6.087 -8.715 1.00 1.98 O ATOM 283 ND2 ASN A 18 79.129 5.975 -10.749 1.00 2.51 N ATOM 0 H ASN A 18 77.426 3.345 -8.432 1.00 1.19 H new ATOM 0 HA ASN A 18 75.898 5.776 -8.641 1.00 1.13 H new ATOM 0 HB2 ASN A 18 77.344 3.818 -10.499 1.00 1.38 H new ATOM 0 HB3 ASN A 18 76.553 5.240 -11.150 1.00 1.38 H new ATOM 0 HD21 ASN A 18 79.937 6.542 -10.493 1.00 2.51 H new ATOM 0 HD22 ASN A 18 79.026 5.636 -11.705 1.00 2.51 H new ATOM 290 N GLU A 19 74.445 3.106 -9.857 1.00 1.02 N ATOM 291 CA GLU A 19 73.121 2.632 -10.350 1.00 0.98 C ATOM 292 C GLU A 19 72.048 2.876 -9.285 1.00 0.83 C ATOM 293 O GLU A 19 70.909 3.167 -9.592 1.00 0.82 O ATOM 294 CB GLU A 19 73.302 1.134 -10.598 1.00 1.25 C ATOM 295 CG GLU A 19 73.344 0.868 -12.104 1.00 1.54 C ATOM 296 CD GLU A 19 74.796 0.706 -12.554 1.00 2.01 C ATOM 297 OE1 GLU A 19 75.446 -0.208 -12.072 1.00 2.48 O ATOM 298 OE2 GLU A 19 75.234 1.496 -13.374 1.00 2.60 O ATOM 0 H GLU A 19 75.150 2.378 -9.736 1.00 1.02 H new ATOM 0 HA GLU A 19 72.802 3.156 -11.251 1.00 0.98 H new ATOM 0 HB2 GLU A 19 74.223 0.786 -10.131 1.00 1.25 H new ATOM 0 HB3 GLU A 19 72.483 0.577 -10.142 1.00 1.25 H new ATOM 0 HG2 GLU A 19 72.776 -0.032 -12.341 1.00 1.54 H new ATOM 0 HG3 GLU A 19 72.875 1.692 -12.643 1.00 1.54 H new ATOM 305 N PHE A 20 72.406 2.762 -8.034 1.00 0.83 N ATOM 306 CA PHE A 20 71.408 2.992 -6.949 1.00 0.78 C ATOM 307 C PHE A 20 70.978 4.462 -6.934 1.00 0.69 C ATOM 308 O PHE A 20 69.881 4.796 -6.529 1.00 0.74 O ATOM 309 CB PHE A 20 72.140 2.634 -5.655 1.00 0.94 C ATOM 310 CG PHE A 20 72.138 1.135 -5.473 1.00 1.20 C ATOM 311 CD1 PHE A 20 72.847 0.321 -6.363 1.00 2.07 C ATOM 312 CD2 PHE A 20 71.427 0.560 -4.412 1.00 1.96 C ATOM 313 CE1 PHE A 20 72.844 -1.069 -6.195 1.00 2.93 C ATOM 314 CE2 PHE A 20 71.424 -0.830 -4.243 1.00 2.88 C ATOM 315 CZ PHE A 20 72.133 -1.644 -5.135 1.00 3.19 C ATOM 0 H PHE A 20 73.345 2.520 -7.717 1.00 0.83 H new ATOM 0 HA PHE A 20 70.505 2.397 -7.083 1.00 0.78 H new ATOM 0 HB2 PHE A 20 73.164 3.005 -5.689 1.00 0.94 H new ATOM 0 HB3 PHE A 20 71.655 3.115 -4.805 1.00 0.94 H new ATOM 0 HD1 PHE A 20 73.397 0.765 -7.180 1.00 2.07 H new ATOM 0 HD2 PHE A 20 70.881 1.189 -3.724 1.00 1.96 H new ATOM 0 HE1 PHE A 20 73.390 -1.697 -6.883 1.00 2.93 H new ATOM 0 HE2 PHE A 20 70.875 -1.274 -3.425 1.00 2.88 H new ATOM 0 HZ PHE A 20 72.131 -2.716 -5.005 1.00 3.19 H new ATOM 325 N LYS A 21 71.834 5.344 -7.374 1.00 0.73 N ATOM 326 CA LYS A 21 71.479 6.792 -7.388 1.00 0.83 C ATOM 327 C LYS A 21 70.335 7.046 -8.374 1.00 0.81 C ATOM 328 O LYS A 21 69.353 7.683 -8.051 1.00 0.97 O ATOM 329 CB LYS A 21 72.755 7.504 -7.844 1.00 1.00 C ATOM 330 CG LYS A 21 72.416 8.918 -8.324 1.00 1.37 C ATOM 331 CD LYS A 21 73.539 9.878 -7.924 1.00 1.81 C ATOM 332 CE LYS A 21 74.690 9.764 -8.925 1.00 2.52 C ATOM 333 NZ LYS A 21 74.357 10.735 -10.005 1.00 3.32 N ATOM 0 H LYS A 21 72.766 5.124 -7.725 1.00 0.73 H new ATOM 0 HA LYS A 21 71.140 7.147 -6.415 1.00 0.83 H new ATOM 0 HB2 LYS A 21 73.470 7.550 -7.023 1.00 1.00 H new ATOM 0 HB3 LYS A 21 73.229 6.941 -8.648 1.00 1.00 H new ATOM 0 HG2 LYS A 21 72.286 8.924 -9.406 1.00 1.37 H new ATOM 0 HG3 LYS A 21 71.472 9.245 -7.888 1.00 1.37 H new ATOM 0 HD2 LYS A 21 73.165 10.902 -7.899 1.00 1.81 H new ATOM 0 HD3 LYS A 21 73.892 9.643 -6.920 1.00 1.81 H new ATOM 0 HE2 LYS A 21 75.645 10.005 -8.458 1.00 2.52 H new ATOM 0 HE3 LYS A 21 74.774 8.750 -9.317 1.00 2.52 H new ATOM 0 HZ1 LYS A 21 75.101 10.715 -10.731 1.00 3.32 H new ATOM 0 HZ2 LYS A 21 73.446 10.477 -10.436 1.00 3.32 H new ATOM 0 HZ3 LYS A 21 74.291 11.692 -9.603 1.00 3.32 H new ATOM 347 N ALA A 22 70.457 6.553 -9.577 1.00 0.78 N ATOM 348 CA ALA A 22 69.376 6.767 -10.582 1.00 0.87 C ATOM 349 C ALA A 22 68.028 6.313 -10.015 1.00 0.81 C ATOM 350 O ALA A 22 67.089 7.080 -9.935 1.00 0.83 O ATOM 351 CB ALA A 22 69.775 5.902 -11.778 1.00 0.97 C ATOM 0 H ALA A 22 71.257 6.012 -9.907 1.00 0.78 H new ATOM 0 HA ALA A 22 69.266 7.816 -10.855 1.00 0.87 H new ATOM 0 HB1 ALA A 22 69.028 6.003 -12.565 1.00 0.97 H new ATOM 0 HB2 ALA A 22 70.745 6.227 -12.154 1.00 0.97 H new ATOM 0 HB3 ALA A 22 69.837 4.859 -11.468 1.00 0.97 H new ATOM 357 N ALA A 23 67.926 5.074 -9.620 1.00 0.80 N ATOM 358 CA ALA A 23 66.639 4.573 -9.058 1.00 0.81 C ATOM 359 C ALA A 23 66.221 5.422 -7.853 1.00 0.74 C ATOM 360 O ALA A 23 65.072 5.787 -7.707 1.00 0.77 O ATOM 361 CB ALA A 23 66.930 3.135 -8.624 1.00 0.89 C ATOM 0 H ALA A 23 68.678 4.386 -9.662 1.00 0.80 H new ATOM 0 HA ALA A 23 65.825 4.625 -9.781 1.00 0.81 H new ATOM 0 HB1 ALA A 23 66.029 2.694 -8.198 1.00 0.89 H new ATOM 0 HB2 ALA A 23 67.246 2.551 -9.488 1.00 0.89 H new ATOM 0 HB3 ALA A 23 67.723 3.134 -7.876 1.00 0.89 H new ATOM 367 N PHE A 24 67.145 5.741 -6.991 1.00 0.71 N ATOM 368 CA PHE A 24 66.797 6.566 -5.800 1.00 0.72 C ATOM 369 C PHE A 24 65.939 7.761 -6.219 1.00 0.71 C ATOM 370 O PHE A 24 64.945 8.075 -5.594 1.00 0.73 O ATOM 371 CB PHE A 24 68.137 7.041 -5.239 1.00 0.82 C ATOM 372 CG PHE A 24 67.897 8.124 -4.215 1.00 1.04 C ATOM 373 CD1 PHE A 24 67.794 9.460 -4.621 1.00 1.51 C ATOM 374 CD2 PHE A 24 67.777 7.794 -2.860 1.00 1.81 C ATOM 375 CE1 PHE A 24 67.571 10.466 -3.673 1.00 1.88 C ATOM 376 CE2 PHE A 24 67.554 8.798 -1.911 1.00 2.09 C ATOM 377 CZ PHE A 24 67.450 10.134 -2.318 1.00 1.85 C ATOM 0 H PHE A 24 68.125 5.467 -7.059 1.00 0.71 H new ATOM 0 HA PHE A 24 66.224 6.004 -5.063 1.00 0.72 H new ATOM 0 HB2 PHE A 24 68.669 6.206 -4.783 1.00 0.82 H new ATOM 0 HB3 PHE A 24 68.767 7.420 -6.044 1.00 0.82 H new ATOM 0 HD1 PHE A 24 67.887 9.715 -5.666 1.00 1.51 H new ATOM 0 HD2 PHE A 24 67.857 6.764 -2.547 1.00 1.81 H new ATOM 0 HE1 PHE A 24 67.492 11.497 -3.986 1.00 1.88 H new ATOM 0 HE2 PHE A 24 67.462 8.543 -0.866 1.00 2.09 H new ATOM 0 HZ PHE A 24 67.276 10.909 -1.586 1.00 1.85 H new ATOM 387 N ASP A 25 66.315 8.432 -7.273 1.00 0.81 N ATOM 388 CA ASP A 25 65.522 9.608 -7.730 1.00 0.97 C ATOM 389 C ASP A 25 64.188 9.152 -8.329 1.00 1.04 C ATOM 390 O ASP A 25 63.331 9.957 -8.639 1.00 1.23 O ATOM 391 CB ASP A 25 66.387 10.277 -8.800 1.00 1.18 C ATOM 392 CG ASP A 25 67.640 10.866 -8.149 1.00 1.57 C ATOM 393 OD1 ASP A 25 68.524 10.096 -7.808 1.00 2.18 O ATOM 394 OD2 ASP A 25 67.695 12.076 -8.004 1.00 1.98 O ATOM 0 H ASP A 25 67.137 8.217 -7.837 1.00 0.81 H new ATOM 0 HA ASP A 25 65.285 10.287 -6.911 1.00 0.97 H new ATOM 0 HB2 ASP A 25 66.668 9.550 -9.562 1.00 1.18 H new ATOM 0 HB3 ASP A 25 65.821 11.062 -9.301 1.00 1.18 H new ATOM 399 N ILE A 26 64.005 7.871 -8.500 1.00 0.99 N ATOM 400 CA ILE A 26 62.727 7.376 -9.083 1.00 1.18 C ATOM 401 C ILE A 26 61.690 7.133 -7.982 1.00 1.09 C ATOM 402 O ILE A 26 60.508 7.340 -8.177 1.00 1.23 O ATOM 403 CB ILE A 26 63.092 6.072 -9.782 1.00 1.38 C ATOM 404 CG1 ILE A 26 64.090 6.375 -10.907 1.00 1.55 C ATOM 405 CG2 ILE A 26 61.825 5.441 -10.361 1.00 1.60 C ATOM 406 CD1 ILE A 26 64.108 5.225 -11.913 1.00 1.61 C ATOM 0 H ILE A 26 64.684 7.148 -8.262 1.00 0.99 H new ATOM 0 HA ILE A 26 62.283 8.096 -9.771 1.00 1.18 H new ATOM 0 HB ILE A 26 63.544 5.378 -9.074 1.00 1.38 H new ATOM 0 HG12 ILE A 26 63.815 7.303 -11.408 1.00 1.55 H new ATOM 0 HG13 ILE A 26 65.087 6.521 -10.491 1.00 1.55 H new ATOM 0 HG21 ILE A 26 62.080 4.507 -10.863 1.00 1.60 H new ATOM 0 HG22 ILE A 26 61.118 5.239 -9.556 1.00 1.60 H new ATOM 0 HG23 ILE A 26 61.372 6.126 -11.078 1.00 1.60 H new ATOM 0 HD11 ILE A 26 64.819 5.448 -12.708 1.00 1.61 H new ATOM 0 HD12 ILE A 26 64.405 4.305 -11.409 1.00 1.61 H new ATOM 0 HD13 ILE A 26 63.113 5.100 -12.340 1.00 1.61 H new ATOM 418 N PHE A 27 62.115 6.695 -6.825 1.00 0.94 N ATOM 419 CA PHE A 27 61.140 6.446 -5.725 1.00 0.95 C ATOM 420 C PHE A 27 60.771 7.767 -5.046 1.00 0.79 C ATOM 421 O PHE A 27 59.725 7.896 -4.442 1.00 0.87 O ATOM 422 CB PHE A 27 61.866 5.529 -4.737 1.00 1.05 C ATOM 423 CG PHE A 27 62.691 4.505 -5.485 1.00 1.28 C ATOM 424 CD1 PHE A 27 62.064 3.572 -6.319 1.00 1.67 C ATOM 425 CD2 PHE A 27 64.083 4.491 -5.342 1.00 1.97 C ATOM 426 CE1 PHE A 27 62.829 2.624 -7.009 1.00 1.91 C ATOM 427 CE2 PHE A 27 64.849 3.544 -6.032 1.00 2.24 C ATOM 428 CZ PHE A 27 64.221 2.611 -6.866 1.00 1.91 C ATOM 0 H PHE A 27 63.090 6.500 -6.596 1.00 0.94 H new ATOM 0 HA PHE A 27 60.216 5.997 -6.091 1.00 0.95 H new ATOM 0 HB2 PHE A 27 62.510 6.121 -4.086 1.00 1.05 H new ATOM 0 HB3 PHE A 27 61.142 5.026 -4.097 1.00 1.05 H new ATOM 0 HD1 PHE A 27 60.990 3.583 -6.430 1.00 1.67 H new ATOM 0 HD2 PHE A 27 64.567 5.211 -4.699 1.00 1.97 H new ATOM 0 HE1 PHE A 27 62.345 1.903 -7.651 1.00 1.91 H new ATOM 0 HE2 PHE A 27 65.923 3.533 -5.921 1.00 2.24 H new ATOM 0 HZ PHE A 27 64.811 1.881 -7.399 1.00 1.91 H new ATOM 438 N VAL A 28 61.630 8.745 -5.133 1.00 0.76 N ATOM 439 CA VAL A 28 61.343 10.055 -4.489 1.00 0.78 C ATOM 440 C VAL A 28 60.570 10.970 -5.444 1.00 0.97 C ATOM 441 O VAL A 28 60.604 12.178 -5.322 1.00 1.39 O ATOM 442 CB VAL A 28 62.720 10.640 -4.187 1.00 0.77 C ATOM 443 CG1 VAL A 28 63.588 9.582 -3.503 1.00 1.33 C ATOM 444 CG2 VAL A 28 63.385 11.076 -5.495 1.00 1.34 C ATOM 0 H VAL A 28 62.522 8.692 -5.625 1.00 0.76 H new ATOM 0 HA VAL A 28 60.728 9.951 -3.595 1.00 0.78 H new ATOM 0 HB VAL A 28 62.611 11.501 -3.527 1.00 0.77 H new ATOM 0 HG11 VAL A 28 64.571 10.001 -3.288 1.00 1.33 H new ATOM 0 HG12 VAL A 28 63.115 9.270 -2.572 1.00 1.33 H new ATOM 0 HG13 VAL A 28 63.697 8.720 -4.161 1.00 1.33 H new ATOM 0 HG21 VAL A 28 64.369 11.494 -5.281 1.00 1.34 H new ATOM 0 HG22 VAL A 28 63.492 10.214 -6.154 1.00 1.34 H new ATOM 0 HG23 VAL A 28 62.768 11.831 -5.983 1.00 1.34 H new ATOM 454 N LEU A 29 59.871 10.408 -6.392 1.00 1.11 N ATOM 455 CA LEU A 29 59.098 11.256 -7.345 1.00 1.39 C ATOM 456 C LEU A 29 58.181 12.210 -6.574 1.00 1.56 C ATOM 457 O LEU A 29 57.042 11.897 -6.292 1.00 1.98 O ATOM 458 CB LEU A 29 58.273 10.273 -8.177 1.00 1.45 C ATOM 459 CG LEU A 29 59.124 9.740 -9.331 1.00 1.71 C ATOM 460 CD1 LEU A 29 58.599 8.369 -9.762 1.00 2.28 C ATOM 461 CD2 LEU A 29 59.046 10.711 -10.512 1.00 2.41 C ATOM 0 H LEU A 29 59.801 9.402 -6.548 1.00 1.11 H new ATOM 0 HA LEU A 29 59.746 11.871 -7.970 1.00 1.39 H new ATOM 0 HB2 LEU A 29 57.932 9.448 -7.552 1.00 1.45 H new ATOM 0 HB3 LEU A 29 57.383 10.767 -8.566 1.00 1.45 H new ATOM 0 HG LEU A 29 60.160 9.646 -9.005 1.00 1.71 H new ATOM 0 HD11 LEU A 29 59.205 7.989 -10.584 1.00 2.28 H new ATOM 0 HD12 LEU A 29 58.654 7.678 -8.921 1.00 2.28 H new ATOM 0 HD13 LEU A 29 57.563 8.462 -10.088 1.00 2.28 H new ATOM 0 HD21 LEU A 29 59.652 10.332 -11.335 1.00 2.41 H new ATOM 0 HD22 LEU A 29 58.010 10.805 -10.838 1.00 2.41 H new ATOM 0 HD23 LEU A 29 59.420 11.688 -10.205 1.00 2.41 H new ATOM 473 N GLY A 30 58.670 13.368 -6.227 1.00 1.92 N ATOM 474 CA GLY A 30 57.826 14.336 -5.470 1.00 2.16 C ATOM 475 C GLY A 30 57.777 13.923 -3.998 1.00 1.95 C ATOM 476 O GLY A 30 56.878 14.291 -3.268 1.00 2.01 O ATOM 0 H GLY A 30 59.617 13.686 -6.434 1.00 1.92 H new ATOM 0 HA2 GLY A 30 58.234 15.342 -5.564 1.00 2.16 H new ATOM 0 HA3 GLY A 30 56.819 14.361 -5.886 1.00 2.16 H new ATOM 480 N ALA A 31 58.739 13.158 -3.559 1.00 1.94 N ATOM 481 CA ALA A 31 58.752 12.717 -2.135 1.00 1.87 C ATOM 482 C ALA A 31 58.570 13.918 -1.206 1.00 2.03 C ATOM 483 O ALA A 31 58.405 15.038 -1.646 1.00 2.28 O ATOM 484 CB ALA A 31 60.130 12.087 -1.931 1.00 1.50 C ATOM 0 H ALA A 31 59.517 12.819 -4.125 1.00 1.94 H new ATOM 0 HA ALA A 31 57.945 12.019 -1.911 1.00 1.87 H new ATOM 0 HB1 ALA A 31 60.221 11.735 -0.903 1.00 1.50 H new ATOM 0 HB2 ALA A 31 60.250 11.246 -2.614 1.00 1.50 H new ATOM 0 HB3 ALA A 31 60.903 12.830 -2.130 1.00 1.50 H new ATOM 490 N GLU A 32 58.598 13.692 0.079 1.00 2.22 N ATOM 491 CA GLU A 32 58.428 14.821 1.039 1.00 2.52 C ATOM 492 C GLU A 32 59.667 15.719 1.025 1.00 2.19 C ATOM 493 O GLU A 32 59.571 16.927 1.095 1.00 2.44 O ATOM 494 CB GLU A 32 58.261 14.156 2.405 1.00 3.02 C ATOM 495 CG GLU A 32 57.111 13.147 2.347 1.00 3.65 C ATOM 496 CD GLU A 32 56.787 12.658 3.759 1.00 4.03 C ATOM 497 OE1 GLU A 32 57.665 12.726 4.604 1.00 4.34 O ATOM 498 OE2 GLU A 32 55.667 12.227 3.973 1.00 4.40 O ATOM 0 H GLU A 32 58.731 12.775 0.506 1.00 2.22 H new ATOM 0 HA GLU A 32 57.577 15.454 0.787 1.00 2.52 H new ATOM 0 HB2 GLU A 32 59.185 13.654 2.692 1.00 3.02 H new ATOM 0 HB3 GLU A 32 58.059 14.910 3.166 1.00 3.02 H new ATOM 0 HG2 GLU A 32 56.231 13.609 1.900 1.00 3.65 H new ATOM 0 HG3 GLU A 32 57.385 12.304 1.713 1.00 3.65 H new ATOM 505 N ASP A 33 60.832 15.136 0.934 1.00 1.88 N ATOM 506 CA ASP A 33 62.077 15.958 0.914 1.00 1.82 C ATOM 507 C ASP A 33 63.137 15.292 0.033 1.00 1.49 C ATOM 508 O ASP A 33 64.323 15.437 0.254 1.00 1.70 O ATOM 509 CB ASP A 33 62.544 16.004 2.370 1.00 2.02 C ATOM 510 CG ASP A 33 62.685 14.578 2.908 1.00 2.43 C ATOM 511 OD1 ASP A 33 63.740 13.997 2.720 1.00 2.79 O ATOM 512 OD2 ASP A 33 61.734 14.093 3.500 1.00 2.98 O ATOM 0 H ASP A 33 60.976 14.128 0.873 1.00 1.88 H new ATOM 0 HA ASP A 33 61.907 16.955 0.508 1.00 1.82 H new ATOM 0 HB2 ASP A 33 63.498 16.526 2.440 1.00 2.02 H new ATOM 0 HB3 ASP A 33 61.829 16.563 2.974 1.00 2.02 H new ATOM 517 N GLY A 34 62.720 14.562 -0.966 1.00 1.25 N ATOM 518 CA GLY A 34 63.706 13.889 -1.858 1.00 1.06 C ATOM 519 C GLY A 34 64.199 12.602 -1.196 1.00 0.97 C ATOM 520 O GLY A 34 65.364 12.264 -1.262 1.00 1.19 O ATOM 0 H GLY A 34 61.741 14.403 -1.202 1.00 1.25 H new ATOM 0 HA2 GLY A 34 63.246 13.662 -2.820 1.00 1.06 H new ATOM 0 HA3 GLY A 34 64.547 14.554 -2.055 1.00 1.06 H new ATOM 524 N CYS A 35 63.320 11.881 -0.555 1.00 0.83 N ATOM 525 CA CYS A 35 63.737 10.616 0.114 1.00 0.79 C ATOM 526 C CYS A 35 62.855 9.456 -0.356 1.00 0.72 C ATOM 527 O CYS A 35 61.881 9.646 -1.056 1.00 0.75 O ATOM 528 CB CYS A 35 63.534 10.873 1.607 1.00 0.83 C ATOM 529 SG CYS A 35 65.134 11.207 2.383 1.00 1.87 S ATOM 0 H CYS A 35 62.331 12.113 -0.466 1.00 0.83 H new ATOM 0 HA CYS A 35 64.768 10.346 -0.116 1.00 0.79 H new ATOM 0 HB2 CYS A 35 62.863 11.719 1.753 1.00 0.83 H new ATOM 0 HB3 CYS A 35 63.064 10.008 2.075 1.00 0.83 H new ATOM 0 HG CYS A 35 65.158 12.432 2.818 1.00 1.87 H new ATOM 535 N ILE A 36 63.191 8.253 0.023 1.00 0.68 N ATOM 536 CA ILE A 36 62.371 7.081 -0.404 1.00 0.69 C ATOM 537 C ILE A 36 61.628 6.501 0.805 1.00 0.78 C ATOM 538 O ILE A 36 62.185 5.761 1.592 1.00 0.91 O ATOM 539 CB ILE A 36 63.372 6.064 -0.969 1.00 0.66 C ATOM 540 CG1 ILE A 36 64.505 6.793 -1.701 1.00 0.65 C ATOM 541 CG2 ILE A 36 62.656 5.140 -1.957 1.00 0.65 C ATOM 542 CD1 ILE A 36 65.483 5.769 -2.280 1.00 0.76 C ATOM 0 H ILE A 36 63.996 8.030 0.609 1.00 0.68 H new ATOM 0 HA ILE A 36 61.619 7.350 -1.146 1.00 0.69 H new ATOM 0 HB ILE A 36 63.787 5.482 -0.146 1.00 0.66 H new ATOM 0 HG12 ILE A 36 64.097 7.413 -2.499 1.00 0.65 H new ATOM 0 HG13 ILE A 36 65.025 7.460 -1.014 1.00 0.65 H new ATOM 0 HG21 ILE A 36 63.366 4.417 -2.359 1.00 0.65 H new ATOM 0 HG22 ILE A 36 61.852 4.612 -1.444 1.00 0.65 H new ATOM 0 HG23 ILE A 36 62.240 5.732 -2.772 1.00 0.65 H new ATOM 0 HD11 ILE A 36 66.288 6.288 -2.800 1.00 0.76 H new ATOM 0 HD12 ILE A 36 65.901 5.168 -1.472 1.00 0.76 H new ATOM 0 HD13 ILE A 36 64.958 5.120 -2.981 1.00 0.76 H new ATOM 554 N SER A 37 60.376 6.839 0.961 1.00 0.79 N ATOM 555 CA SER A 37 59.597 6.316 2.122 1.00 0.91 C ATOM 556 C SER A 37 59.430 4.798 2.017 1.00 0.85 C ATOM 557 O SER A 37 59.431 4.237 0.939 1.00 0.92 O ATOM 558 CB SER A 37 58.238 7.007 2.030 1.00 1.09 C ATOM 559 OG SER A 37 57.883 7.514 3.310 1.00 1.94 O ATOM 0 H SER A 37 59.858 7.455 0.334 1.00 0.79 H new ATOM 0 HA SER A 37 60.096 6.514 3.071 1.00 0.91 H new ATOM 0 HB2 SER A 37 58.278 7.818 1.303 1.00 1.09 H new ATOM 0 HB3 SER A 37 57.482 6.303 1.682 1.00 1.09 H new ATOM 0 HG SER A 37 57.012 7.960 3.255 1.00 1.94 H new ATOM 565 N THR A 38 59.279 4.130 3.129 1.00 0.88 N ATOM 566 CA THR A 38 59.106 2.650 3.090 1.00 1.02 C ATOM 567 C THR A 38 57.969 2.283 2.134 1.00 1.13 C ATOM 568 O THR A 38 58.072 1.353 1.359 1.00 1.48 O ATOM 569 CB THR A 38 58.753 2.250 4.524 1.00 1.12 C ATOM 570 OG1 THR A 38 57.587 2.949 4.937 1.00 1.47 O ATOM 571 CG2 THR A 38 59.916 2.599 5.454 1.00 1.25 C ATOM 0 H THR A 38 59.268 4.545 4.061 1.00 0.88 H new ATOM 0 HA THR A 38 60.001 2.137 2.737 1.00 1.02 H new ATOM 0 HB THR A 38 58.567 1.177 4.566 1.00 1.12 H new ATOM 0 HG1 THR A 38 57.267 2.579 5.786 1.00 1.47 H new ATOM 0 HG21 THR A 38 59.663 2.314 6.475 1.00 1.25 H new ATOM 0 HG22 THR A 38 60.809 2.061 5.137 1.00 1.25 H new ATOM 0 HG23 THR A 38 60.105 3.672 5.413 1.00 1.25 H new ATOM 579 N LYS A 39 56.886 3.013 2.177 1.00 1.09 N ATOM 580 CA LYS A 39 55.747 2.709 1.265 1.00 1.33 C ATOM 581 C LYS A 39 56.259 2.551 -0.169 1.00 1.20 C ATOM 582 O LYS A 39 55.706 1.815 -0.961 1.00 1.45 O ATOM 583 CB LYS A 39 54.815 3.917 1.376 1.00 1.57 C ATOM 584 CG LYS A 39 54.280 4.018 2.806 1.00 2.27 C ATOM 585 CD LYS A 39 53.475 5.309 2.962 1.00 2.86 C ATOM 586 CE LYS A 39 54.107 6.176 4.053 1.00 3.52 C ATOM 587 NZ LYS A 39 52.965 6.626 4.897 1.00 4.37 N ATOM 0 H LYS A 39 56.742 3.805 2.803 1.00 1.09 H new ATOM 0 HA LYS A 39 55.237 1.782 1.528 1.00 1.33 H new ATOM 0 HB2 LYS A 39 55.351 4.829 1.111 1.00 1.57 H new ATOM 0 HB3 LYS A 39 53.988 3.818 0.673 1.00 1.57 H new ATOM 0 HG2 LYS A 39 53.652 3.156 3.032 1.00 2.27 H new ATOM 0 HG3 LYS A 39 55.107 4.005 3.516 1.00 2.27 H new ATOM 0 HD2 LYS A 39 53.453 5.853 2.018 1.00 2.86 H new ATOM 0 HD3 LYS A 39 52.442 5.077 3.220 1.00 2.86 H new ATOM 0 HE2 LYS A 39 54.831 5.609 4.638 1.00 3.52 H new ATOM 0 HE3 LYS A 39 54.639 7.025 3.624 1.00 3.52 H new ATOM 0 HZ1 LYS A 39 53.319 7.227 5.669 1.00 4.37 H new ATOM 0 HZ2 LYS A 39 52.296 7.169 4.315 1.00 4.37 H new ATOM 0 HZ3 LYS A 39 52.482 5.797 5.298 1.00 4.37 H new ATOM 601 N GLU A 40 57.321 3.233 -0.502 1.00 0.96 N ATOM 602 CA GLU A 40 57.880 3.121 -1.879 1.00 0.95 C ATOM 603 C GLU A 40 58.934 2.012 -1.921 1.00 0.84 C ATOM 604 O GLU A 40 59.144 1.377 -2.934 1.00 0.95 O ATOM 605 CB GLU A 40 58.524 4.480 -2.158 1.00 1.08 C ATOM 606 CG GLU A 40 57.627 5.289 -3.097 1.00 1.33 C ATOM 607 CD GLU A 40 56.740 6.226 -2.274 1.00 1.85 C ATOM 608 OE1 GLU A 40 57.271 6.910 -1.415 1.00 1.99 O ATOM 609 OE2 GLU A 40 55.545 6.243 -2.518 1.00 2.70 O ATOM 0 H GLU A 40 57.826 3.863 0.121 1.00 0.96 H new ATOM 0 HA GLU A 40 57.119 2.873 -2.619 1.00 0.95 H new ATOM 0 HB2 GLU A 40 58.673 5.022 -1.224 1.00 1.08 H new ATOM 0 HB3 GLU A 40 59.508 4.342 -2.607 1.00 1.08 H new ATOM 0 HG2 GLU A 40 58.237 5.866 -3.792 1.00 1.33 H new ATOM 0 HG3 GLU A 40 57.010 4.618 -3.695 1.00 1.33 H new ATOM 616 N LEU A 41 59.595 1.776 -0.821 1.00 0.81 N ATOM 617 CA LEU A 41 60.635 0.707 -0.786 1.00 0.75 C ATOM 618 C LEU A 41 60.078 -0.589 -1.381 1.00 0.77 C ATOM 619 O LEU A 41 60.763 -1.306 -2.082 1.00 0.77 O ATOM 620 CB LEU A 41 60.962 0.524 0.697 1.00 0.82 C ATOM 621 CG LEU A 41 62.130 -0.454 0.856 1.00 0.89 C ATOM 622 CD1 LEU A 41 61.641 -1.882 0.604 1.00 1.10 C ATOM 623 CD2 LEU A 41 63.232 -0.107 -0.148 1.00 1.20 C ATOM 0 H LEU A 41 59.460 2.278 0.057 1.00 0.81 H new ATOM 0 HA LEU A 41 61.519 0.967 -1.368 1.00 0.75 H new ATOM 0 HB2 LEU A 41 61.218 1.485 1.143 1.00 0.82 H new ATOM 0 HB3 LEU A 41 60.087 0.149 1.228 1.00 0.82 H new ATOM 0 HG LEU A 41 62.527 -0.380 1.869 1.00 0.89 H new ATOM 0 HD11 LEU A 41 62.473 -2.577 0.717 1.00 1.10 H new ATOM 0 HD12 LEU A 41 60.860 -2.131 1.322 1.00 1.10 H new ATOM 0 HD13 LEU A 41 61.241 -1.957 -0.407 1.00 1.10 H new ATOM 0 HD21 LEU A 41 64.062 -0.804 -0.033 1.00 1.20 H new ATOM 0 HD22 LEU A 41 62.837 -0.178 -1.161 1.00 1.20 H new ATOM 0 HD23 LEU A 41 63.583 0.909 0.034 1.00 1.20 H new ATOM 635 N GLY A 42 58.838 -0.892 -1.107 1.00 0.88 N ATOM 636 CA GLY A 42 58.237 -2.139 -1.659 1.00 1.02 C ATOM 637 C GLY A 42 58.286 -2.094 -3.186 1.00 0.99 C ATOM 638 O GLY A 42 58.760 -3.009 -3.830 1.00 1.11 O ATOM 0 H GLY A 42 58.216 -0.330 -0.525 1.00 0.88 H new ATOM 0 HA2 GLY A 42 58.780 -3.010 -1.292 1.00 1.02 H new ATOM 0 HA3 GLY A 42 57.206 -2.240 -1.320 1.00 1.02 H new ATOM 642 N LYS A 43 57.802 -1.033 -3.773 1.00 0.91 N ATOM 643 CA LYS A 43 57.826 -0.929 -5.260 1.00 1.00 C ATOM 644 C LYS A 43 59.272 -0.942 -5.761 1.00 0.84 C ATOM 645 O LYS A 43 59.567 -1.442 -6.828 1.00 0.89 O ATOM 646 CB LYS A 43 57.162 0.412 -5.577 1.00 1.12 C ATOM 647 CG LYS A 43 55.744 0.170 -6.098 1.00 1.32 C ATOM 648 CD LYS A 43 55.718 0.366 -7.616 1.00 1.85 C ATOM 649 CE LYS A 43 55.359 -0.956 -8.297 1.00 2.24 C ATOM 650 NZ LYS A 43 54.108 -0.671 -9.053 1.00 2.80 N ATOM 0 H LYS A 43 57.392 -0.235 -3.288 1.00 0.91 H new ATOM 0 HA LYS A 43 57.311 -1.760 -5.742 1.00 1.00 H new ATOM 0 HB2 LYS A 43 57.131 1.035 -4.683 1.00 1.12 H new ATOM 0 HB3 LYS A 43 57.747 0.952 -6.321 1.00 1.12 H new ATOM 0 HG2 LYS A 43 55.420 -0.839 -5.845 1.00 1.32 H new ATOM 0 HG3 LYS A 43 55.047 0.858 -5.620 1.00 1.32 H new ATOM 0 HD2 LYS A 43 54.991 1.133 -7.882 1.00 1.85 H new ATOM 0 HD3 LYS A 43 56.690 0.714 -7.965 1.00 1.85 H new ATOM 0 HE2 LYS A 43 56.156 -1.287 -8.963 1.00 2.24 H new ATOM 0 HE3 LYS A 43 55.206 -1.749 -7.565 1.00 2.24 H new ATOM 0 HZ1 LYS A 43 53.798 -1.531 -9.548 1.00 2.80 H new ATOM 0 HZ2 LYS A 43 53.365 -0.365 -8.392 1.00 2.80 H new ATOM 0 HZ3 LYS A 43 54.286 0.083 -9.747 1.00 2.80 H new ATOM 664 N VAL A 44 60.176 -0.396 -4.993 1.00 0.75 N ATOM 665 CA VAL A 44 61.604 -0.379 -5.419 1.00 0.68 C ATOM 666 C VAL A 44 62.144 -1.810 -5.504 1.00 0.68 C ATOM 667 O VAL A 44 62.911 -2.143 -6.384 1.00 0.76 O ATOM 668 CB VAL A 44 62.331 0.407 -4.327 1.00 0.72 C ATOM 669 CG1 VAL A 44 63.797 0.599 -4.722 1.00 1.10 C ATOM 670 CG2 VAL A 44 61.667 1.775 -4.159 1.00 1.70 C ATOM 0 H VAL A 44 59.987 0.039 -4.090 1.00 0.75 H new ATOM 0 HA VAL A 44 61.740 0.071 -6.403 1.00 0.68 H new ATOM 0 HB VAL A 44 62.278 -0.144 -3.388 1.00 0.72 H new ATOM 0 HG11 VAL A 44 64.313 1.159 -3.943 1.00 1.10 H new ATOM 0 HG12 VAL A 44 64.272 -0.375 -4.844 1.00 1.10 H new ATOM 0 HG13 VAL A 44 63.852 1.149 -5.661 1.00 1.10 H new ATOM 0 HG21 VAL A 44 62.184 2.337 -3.381 1.00 1.70 H new ATOM 0 HG22 VAL A 44 61.721 2.323 -5.099 1.00 1.70 H new ATOM 0 HG23 VAL A 44 60.623 1.640 -3.877 1.00 1.70 H new ATOM 680 N MET A 45 61.743 -2.657 -4.595 1.00 0.79 N ATOM 681 CA MET A 45 62.227 -4.067 -4.622 1.00 0.99 C ATOM 682 C MET A 45 61.601 -4.818 -5.800 1.00 1.03 C ATOM 683 O MET A 45 62.270 -5.533 -6.519 1.00 1.16 O ATOM 684 CB MET A 45 61.763 -4.671 -3.296 1.00 1.26 C ATOM 685 CG MET A 45 62.558 -4.054 -2.144 1.00 1.54 C ATOM 686 SD MET A 45 63.814 -5.229 -1.581 1.00 2.11 S ATOM 687 CE MET A 45 65.250 -4.153 -1.817 1.00 1.74 C ATOM 0 H MET A 45 61.101 -2.433 -3.835 1.00 0.79 H new ATOM 0 HA MET A 45 63.308 -4.130 -4.743 1.00 0.99 H new ATOM 0 HB2 MET A 45 60.698 -4.488 -3.155 1.00 1.26 H new ATOM 0 HB3 MET A 45 61.902 -5.752 -3.309 1.00 1.26 H new ATOM 0 HG2 MET A 45 63.031 -3.128 -2.470 1.00 1.54 H new ATOM 0 HG3 MET A 45 61.889 -3.799 -1.322 1.00 1.54 H new ATOM 0 HE1 MET A 45 66.155 -4.685 -1.526 1.00 1.74 H new ATOM 0 HE2 MET A 45 65.320 -3.865 -2.866 1.00 1.74 H new ATOM 0 HE3 MET A 45 65.140 -3.260 -1.202 1.00 1.74 H new ATOM 697 N ARG A 46 60.322 -4.661 -6.002 1.00 1.05 N ATOM 698 CA ARG A 46 59.653 -5.367 -7.132 1.00 1.22 C ATOM 699 C ARG A 46 60.449 -5.171 -8.424 1.00 1.26 C ATOM 700 O ARG A 46 60.806 -6.120 -9.094 1.00 1.51 O ATOM 701 CB ARG A 46 58.274 -4.717 -7.243 1.00 1.28 C ATOM 702 CG ARG A 46 57.291 -5.447 -6.326 1.00 1.46 C ATOM 703 CD ARG A 46 55.861 -5.199 -6.811 1.00 1.98 C ATOM 704 NE ARG A 46 54.997 -5.928 -5.842 1.00 2.34 N ATOM 705 CZ ARG A 46 53.899 -5.376 -5.403 1.00 2.82 C ATOM 706 NH1 ARG A 46 52.921 -5.124 -6.230 1.00 3.26 N ATOM 707 NH2 ARG A 46 53.780 -5.078 -4.139 1.00 3.34 N ATOM 0 H ARG A 46 59.711 -4.075 -5.434 1.00 1.05 H new ATOM 0 HA ARG A 46 59.583 -6.442 -6.965 1.00 1.22 H new ATOM 0 HB2 ARG A 46 58.333 -3.664 -6.966 1.00 1.28 H new ATOM 0 HB3 ARG A 46 57.924 -4.756 -8.274 1.00 1.28 H new ATOM 0 HG2 ARG A 46 57.505 -6.516 -6.323 1.00 1.46 H new ATOM 0 HG3 ARG A 46 57.405 -5.096 -5.300 1.00 1.46 H new ATOM 0 HD2 ARG A 46 55.628 -4.134 -6.825 1.00 1.98 H new ATOM 0 HD3 ARG A 46 55.718 -5.571 -7.826 1.00 1.98 H new ATOM 0 HE ARG A 46 55.263 -6.859 -5.521 1.00 2.34 H new ATOM 0 HH11 ARG A 46 53.015 -5.359 -7.218 1.00 3.26 H new ATOM 0 HH12 ARG A 46 52.062 -4.693 -5.888 1.00 3.26 H new ATOM 0 HH21 ARG A 46 54.545 -5.276 -3.494 1.00 3.34 H new ATOM 0 HH22 ARG A 46 52.922 -4.647 -3.795 1.00 3.34 H new ATOM 721 N MET A 47 60.734 -3.947 -8.781 1.00 1.11 N ATOM 722 CA MET A 47 61.509 -3.699 -10.030 1.00 1.26 C ATOM 723 C MET A 47 62.989 -4.024 -9.805 1.00 1.19 C ATOM 724 O MET A 47 63.625 -4.658 -10.624 1.00 1.31 O ATOM 725 CB MET A 47 61.319 -2.211 -10.333 1.00 1.28 C ATOM 726 CG MET A 47 62.008 -1.373 -9.256 1.00 1.46 C ATOM 727 SD MET A 47 61.559 0.367 -9.472 1.00 1.99 S ATOM 728 CE MET A 47 62.964 0.839 -10.512 1.00 2.19 C ATOM 0 H MET A 47 60.464 -3.111 -8.263 1.00 1.11 H new ATOM 0 HA MET A 47 61.170 -4.323 -10.857 1.00 1.26 H new ATOM 0 HB2 MET A 47 61.734 -1.974 -11.313 1.00 1.28 H new ATOM 0 HB3 MET A 47 60.257 -1.970 -10.370 1.00 1.28 H new ATOM 0 HG2 MET A 47 61.710 -1.717 -8.266 1.00 1.46 H new ATOM 0 HG3 MET A 47 63.089 -1.492 -9.323 1.00 1.46 H new ATOM 0 HE1 MET A 47 62.888 1.895 -10.769 1.00 2.19 H new ATOM 0 HE2 MET A 47 63.893 0.664 -9.970 1.00 2.19 H new ATOM 0 HE3 MET A 47 62.958 0.242 -11.424 1.00 2.19 H new ATOM 738 N LEU A 48 63.543 -3.602 -8.699 1.00 1.09 N ATOM 739 CA LEU A 48 64.980 -3.897 -8.427 1.00 1.18 C ATOM 740 C LEU A 48 65.287 -5.360 -8.752 1.00 1.51 C ATOM 741 O LEU A 48 66.192 -5.664 -9.503 1.00 1.89 O ATOM 742 CB LEU A 48 65.162 -3.641 -6.930 1.00 1.18 C ATOM 743 CG LEU A 48 65.546 -2.178 -6.701 1.00 1.35 C ATOM 744 CD1 LEU A 48 65.451 -1.853 -5.209 1.00 2.05 C ATOM 745 CD2 LEU A 48 66.981 -1.946 -7.182 1.00 1.70 C ATOM 0 H LEU A 48 63.064 -3.067 -7.974 1.00 1.09 H new ATOM 0 HA LEU A 48 65.647 -3.284 -9.033 1.00 1.18 H new ATOM 0 HB2 LEU A 48 64.240 -3.873 -6.397 1.00 1.18 H new ATOM 0 HB3 LEU A 48 65.935 -4.297 -6.530 1.00 1.18 H new ATOM 0 HG LEU A 48 64.866 -1.533 -7.258 1.00 1.35 H new ATOM 0 HD11 LEU A 48 65.725 -0.811 -5.046 1.00 2.05 H new ATOM 0 HD12 LEU A 48 64.430 -2.018 -4.865 1.00 2.05 H new ATOM 0 HD13 LEU A 48 66.131 -2.498 -4.652 1.00 2.05 H new ATOM 0 HD21 LEU A 48 67.255 -0.904 -7.019 1.00 1.70 H new ATOM 0 HD22 LEU A 48 67.660 -2.591 -6.625 1.00 1.70 H new ATOM 0 HD23 LEU A 48 67.050 -2.178 -8.245 1.00 1.70 H new ATOM 757 N GLY A 49 64.538 -6.265 -8.187 1.00 1.56 N ATOM 758 CA GLY A 49 64.781 -7.712 -8.455 1.00 1.97 C ATOM 759 C GLY A 49 64.613 -8.513 -7.161 1.00 1.69 C ATOM 760 O GLY A 49 65.303 -9.486 -6.931 1.00 1.87 O ATOM 0 H GLY A 49 63.767 -6.066 -7.550 1.00 1.56 H new ATOM 0 HA2 GLY A 49 64.084 -8.074 -9.211 1.00 1.97 H new ATOM 0 HA3 GLY A 49 65.785 -7.854 -8.854 1.00 1.97 H new ATOM 764 N GLN A 50 63.703 -8.113 -6.313 1.00 1.38 N ATOM 765 CA GLN A 50 63.497 -8.856 -5.035 1.00 1.26 C ATOM 766 C GLN A 50 62.005 -8.947 -4.708 1.00 1.19 C ATOM 767 O GLN A 50 61.189 -8.249 -5.275 1.00 1.25 O ATOM 768 CB GLN A 50 64.228 -8.033 -3.974 1.00 1.39 C ATOM 769 CG GLN A 50 65.735 -8.078 -4.237 1.00 1.69 C ATOM 770 CD GLN A 50 66.143 -6.865 -5.073 1.00 2.12 C ATOM 771 OE1 GLN A 50 65.359 -5.959 -5.275 1.00 2.58 O ATOM 772 NE2 GLN A 50 67.347 -6.808 -5.574 1.00 2.76 N ATOM 0 H GLN A 50 63.095 -7.306 -6.449 1.00 1.38 H new ATOM 0 HA GLN A 50 63.873 -9.878 -5.089 1.00 1.26 H new ATOM 0 HB2 GLN A 50 63.876 -7.002 -3.993 1.00 1.39 H new ATOM 0 HB3 GLN A 50 64.010 -8.426 -2.981 1.00 1.39 H new ATOM 0 HG2 GLN A 50 66.280 -8.082 -3.293 1.00 1.69 H new ATOM 0 HG3 GLN A 50 65.996 -8.998 -4.760 1.00 1.69 H new ATOM 0 HE21 GLN A 50 68.006 -7.568 -5.405 1.00 2.76 H new ATOM 0 HE22 GLN A 50 67.629 -6.004 -6.134 1.00 2.76 H new ATOM 781 N ASN A 51 61.645 -9.804 -3.793 1.00 1.22 N ATOM 782 CA ASN A 51 60.208 -9.940 -3.424 1.00 1.29 C ATOM 783 C ASN A 51 60.060 -9.958 -1.901 1.00 1.25 C ATOM 784 O ASN A 51 59.765 -10.979 -1.314 1.00 1.41 O ATOM 785 CB ASN A 51 59.765 -11.275 -4.022 1.00 1.54 C ATOM 786 CG ASN A 51 58.259 -11.235 -4.290 1.00 1.88 C ATOM 787 OD1 ASN A 51 57.671 -10.175 -4.358 1.00 2.25 O ATOM 788 ND2 ASN A 51 57.606 -12.354 -4.447 1.00 2.57 N ATOM 0 H ASN A 51 62.284 -10.416 -3.285 1.00 1.22 H new ATOM 0 HA ASN A 51 59.605 -9.112 -3.796 1.00 1.29 H new ATOM 0 HB2 ASN A 51 60.306 -11.469 -4.948 1.00 1.54 H new ATOM 0 HB3 ASN A 51 60.003 -12.090 -3.338 1.00 1.54 H new ATOM 0 HD21 ASN A 51 56.602 -12.338 -4.627 1.00 2.57 H new ATOM 0 HD22 ASN A 51 58.100 -13.245 -4.390 1.00 2.57 H new ATOM 795 N PRO A 52 60.273 -8.812 -1.313 1.00 1.15 N ATOM 796 CA PRO A 52 60.167 -8.672 0.161 1.00 1.20 C ATOM 797 C PRO A 52 58.705 -8.772 0.609 1.00 1.33 C ATOM 798 O PRO A 52 57.795 -8.453 -0.130 1.00 1.45 O ATOM 799 CB PRO A 52 60.729 -7.278 0.428 1.00 1.19 C ATOM 800 CG PRO A 52 60.539 -6.533 -0.854 1.00 1.20 C ATOM 801 CD PRO A 52 60.630 -7.547 -1.965 1.00 1.14 C ATOM 0 HA PRO A 52 60.700 -9.452 0.705 1.00 1.20 H new ATOM 0 HB2 PRO A 52 60.203 -6.791 1.249 1.00 1.19 H new ATOM 0 HB3 PRO A 52 61.782 -7.323 0.706 1.00 1.19 H new ATOM 0 HG2 PRO A 52 59.572 -6.029 -0.869 1.00 1.20 H new ATOM 0 HG3 PRO A 52 61.302 -5.763 -0.970 1.00 1.20 H new ATOM 0 HD2 PRO A 52 59.946 -7.310 -2.780 1.00 1.14 H new ATOM 0 HD3 PRO A 52 61.633 -7.585 -2.391 1.00 1.14 H new ATOM 809 N THR A 53 58.474 -9.216 1.815 1.00 1.39 N ATOM 810 CA THR A 53 57.073 -9.342 2.312 1.00 1.58 C ATOM 811 C THR A 53 56.525 -7.971 2.714 1.00 1.47 C ATOM 812 O THR A 53 57.250 -6.995 2.743 1.00 1.27 O ATOM 813 CB THR A 53 57.162 -10.260 3.534 1.00 1.77 C ATOM 814 OG1 THR A 53 58.523 -10.424 3.908 1.00 1.69 O ATOM 815 CG2 THR A 53 56.556 -11.622 3.196 1.00 1.97 C ATOM 0 H THR A 53 59.196 -9.497 2.479 1.00 1.39 H new ATOM 0 HA THR A 53 56.404 -9.741 1.550 1.00 1.58 H new ATOM 0 HB THR A 53 56.611 -9.814 4.362 1.00 1.77 H new ATOM 0 HG1 THR A 53 58.922 -11.147 3.380 1.00 1.69 H new ATOM 0 HG21 THR A 53 56.620 -12.275 4.067 1.00 1.97 H new ATOM 0 HG22 THR A 53 55.511 -11.495 2.913 1.00 1.97 H new ATOM 0 HG23 THR A 53 57.105 -12.069 2.367 1.00 1.97 H new ATOM 823 N PRO A 54 55.255 -7.946 3.012 1.00 1.64 N ATOM 824 CA PRO A 54 54.590 -6.684 3.418 1.00 1.63 C ATOM 825 C PRO A 54 54.996 -6.303 4.845 1.00 1.55 C ATOM 826 O PRO A 54 55.323 -5.167 5.125 1.00 1.47 O ATOM 827 CB PRO A 54 53.105 -7.021 3.345 1.00 1.92 C ATOM 828 CG PRO A 54 53.032 -8.506 3.516 1.00 2.08 C ATOM 829 CD PRO A 54 54.325 -9.081 2.997 1.00 1.93 C ATOM 0 HA PRO A 54 54.859 -5.835 2.789 1.00 1.63 H new ATOM 0 HB2 PRO A 54 52.545 -6.506 4.126 1.00 1.92 H new ATOM 0 HB3 PRO A 54 52.677 -6.713 2.391 1.00 1.92 H new ATOM 0 HG2 PRO A 54 52.890 -8.765 4.565 1.00 2.08 H new ATOM 0 HG3 PRO A 54 52.183 -8.915 2.969 1.00 2.08 H new ATOM 0 HD2 PRO A 54 54.680 -9.896 3.628 1.00 1.93 H new ATOM 0 HD3 PRO A 54 54.206 -9.485 1.992 1.00 1.93 H new ATOM 837 N GLU A 55 54.977 -7.244 5.751 1.00 1.61 N ATOM 838 CA GLU A 55 55.362 -6.931 7.157 1.00 1.58 C ATOM 839 C GLU A 55 56.867 -6.664 7.248 1.00 1.42 C ATOM 840 O GLU A 55 57.331 -5.971 8.130 1.00 1.36 O ATOM 841 CB GLU A 55 54.993 -8.181 7.957 1.00 1.74 C ATOM 842 CG GLU A 55 53.545 -8.073 8.435 1.00 2.16 C ATOM 843 CD GLU A 55 52.894 -9.456 8.403 1.00 2.56 C ATOM 844 OE1 GLU A 55 53.550 -10.388 7.968 1.00 2.83 O ATOM 845 OE2 GLU A 55 51.749 -9.561 8.813 1.00 3.10 O ATOM 0 H GLU A 55 54.712 -8.214 5.578 1.00 1.61 H new ATOM 0 HA GLU A 55 54.858 -6.041 7.533 1.00 1.58 H new ATOM 0 HB2 GLU A 55 55.118 -9.071 7.340 1.00 1.74 H new ATOM 0 HB3 GLU A 55 55.662 -8.289 8.811 1.00 1.74 H new ATOM 0 HG2 GLU A 55 53.514 -7.668 9.446 1.00 2.16 H new ATOM 0 HG3 GLU A 55 52.991 -7.383 7.798 1.00 2.16 H new ATOM 852 N GLU A 56 57.631 -7.215 6.345 1.00 1.38 N ATOM 853 CA GLU A 56 59.106 -6.999 6.383 1.00 1.26 C ATOM 854 C GLU A 56 59.461 -5.620 5.819 1.00 1.14 C ATOM 855 O GLU A 56 60.409 -4.990 6.247 1.00 1.07 O ATOM 856 CB GLU A 56 59.686 -8.103 5.498 1.00 1.32 C ATOM 857 CG GLU A 56 59.813 -9.396 6.307 1.00 2.10 C ATOM 858 CD GLU A 56 60.894 -9.225 7.376 1.00 2.79 C ATOM 859 OE1 GLU A 56 60.598 -8.634 8.401 1.00 3.40 O ATOM 860 OE2 GLU A 56 62.001 -9.687 7.150 1.00 3.18 O ATOM 0 H GLU A 56 57.298 -7.805 5.583 1.00 1.38 H new ATOM 0 HA GLU A 56 59.501 -7.034 7.398 1.00 1.26 H new ATOM 0 HB2 GLU A 56 59.043 -8.265 4.633 1.00 1.32 H new ATOM 0 HB3 GLU A 56 60.662 -7.803 5.118 1.00 1.32 H new ATOM 0 HG2 GLU A 56 58.859 -9.640 6.775 1.00 2.10 H new ATOM 0 HG3 GLU A 56 60.066 -10.226 5.648 1.00 2.10 H new ATOM 867 N LEU A 57 58.713 -5.148 4.861 1.00 1.17 N ATOM 868 CA LEU A 57 59.013 -3.813 4.267 1.00 1.13 C ATOM 869 C LEU A 57 59.354 -2.800 5.363 1.00 1.06 C ATOM 870 O LEU A 57 60.451 -2.280 5.420 1.00 1.02 O ATOM 871 CB LEU A 57 57.731 -3.405 3.540 1.00 1.24 C ATOM 872 CG LEU A 57 58.082 -2.840 2.163 1.00 1.41 C ATOM 873 CD1 LEU A 57 57.953 -3.942 1.112 1.00 1.93 C ATOM 874 CD2 LEU A 57 57.125 -1.696 1.821 1.00 1.87 C ATOM 0 H LEU A 57 57.906 -5.628 4.463 1.00 1.17 H new ATOM 0 HA LEU A 57 59.871 -3.848 3.596 1.00 1.13 H new ATOM 0 HB2 LEU A 57 57.071 -4.266 3.434 1.00 1.24 H new ATOM 0 HB3 LEU A 57 57.191 -2.659 4.124 1.00 1.24 H new ATOM 0 HG LEU A 57 59.106 -2.466 2.175 1.00 1.41 H new ATOM 0 HD11 LEU A 57 58.203 -3.540 0.130 1.00 1.93 H new ATOM 0 HD12 LEU A 57 58.634 -4.757 1.354 1.00 1.93 H new ATOM 0 HD13 LEU A 57 56.929 -4.316 1.101 1.00 1.93 H new ATOM 0 HD21 LEU A 57 57.375 -1.293 0.840 1.00 1.87 H new ATOM 0 HD22 LEU A 57 56.101 -2.069 1.810 1.00 1.87 H new ATOM 0 HD23 LEU A 57 57.216 -0.909 2.570 1.00 1.87 H new ATOM 886 N GLN A 58 58.423 -2.509 6.230 1.00 1.09 N ATOM 887 CA GLN A 58 58.698 -1.522 7.314 1.00 1.08 C ATOM 888 C GLN A 58 59.550 -2.156 8.418 1.00 1.04 C ATOM 889 O GLN A 58 60.139 -1.469 9.229 1.00 1.05 O ATOM 890 CB GLN A 58 57.321 -1.135 7.854 1.00 1.15 C ATOM 891 CG GLN A 58 57.486 -0.286 9.117 1.00 1.39 C ATOM 892 CD GLN A 58 58.112 1.061 8.749 1.00 1.62 C ATOM 893 OE1 GLN A 58 57.472 1.895 8.140 1.00 2.20 O ATOM 894 NE2 GLN A 58 59.345 1.310 9.095 1.00 1.88 N ATOM 0 H GLN A 58 57.485 -2.911 6.235 1.00 1.09 H new ATOM 0 HA GLN A 58 59.254 -0.658 6.949 1.00 1.08 H new ATOM 0 HB2 GLN A 58 56.766 -0.578 7.099 1.00 1.15 H new ATOM 0 HB3 GLN A 58 56.742 -2.031 8.079 1.00 1.15 H new ATOM 0 HG2 GLN A 58 56.518 -0.131 9.593 1.00 1.39 H new ATOM 0 HG3 GLN A 58 58.116 -0.807 9.838 1.00 1.39 H new ATOM 0 HE21 GLN A 58 59.882 0.610 9.606 1.00 1.88 H new ATOM 0 HE22 GLN A 58 59.771 2.205 8.854 1.00 1.88 H new ATOM 903 N GLU A 59 59.622 -3.459 8.458 1.00 1.07 N ATOM 904 CA GLU A 59 60.438 -4.124 9.516 1.00 1.09 C ATOM 905 C GLU A 59 61.930 -3.965 9.214 1.00 1.07 C ATOM 906 O GLU A 59 62.692 -3.494 10.035 1.00 1.08 O ATOM 907 CB GLU A 59 60.035 -5.598 9.465 1.00 1.17 C ATOM 908 CG GLU A 59 60.544 -6.309 10.719 1.00 1.28 C ATOM 909 CD GLU A 59 59.355 -6.793 11.549 1.00 1.84 C ATOM 910 OE1 GLU A 59 58.342 -7.130 10.958 1.00 2.18 O ATOM 911 OE2 GLU A 59 59.476 -6.820 12.763 1.00 2.48 O ATOM 0 H GLU A 59 59.154 -4.090 7.808 1.00 1.07 H new ATOM 0 HA GLU A 59 60.266 -3.689 10.501 1.00 1.09 H new ATOM 0 HB2 GLU A 59 58.951 -5.688 9.398 1.00 1.17 H new ATOM 0 HB3 GLU A 59 60.449 -6.069 8.574 1.00 1.17 H new ATOM 0 HG2 GLU A 59 61.174 -7.153 10.441 1.00 1.28 H new ATOM 0 HG3 GLU A 59 61.161 -5.631 11.309 1.00 1.28 H new ATOM 918 N MET A 60 62.354 -4.357 8.044 1.00 1.08 N ATOM 919 CA MET A 60 63.797 -4.228 7.695 1.00 1.09 C ATOM 920 C MET A 60 64.203 -2.752 7.648 1.00 1.10 C ATOM 921 O MET A 60 65.335 -2.401 7.916 1.00 1.47 O ATOM 922 CB MET A 60 63.928 -4.865 6.310 1.00 1.09 C ATOM 923 CG MET A 60 64.599 -6.232 6.440 1.00 1.42 C ATOM 924 SD MET A 60 66.369 -6.069 6.101 1.00 1.89 S ATOM 925 CE MET A 60 66.824 -7.790 6.425 1.00 1.71 C ATOM 0 H MET A 60 61.765 -4.760 7.316 1.00 1.08 H new ATOM 0 HA MET A 60 64.443 -4.710 8.429 1.00 1.09 H new ATOM 0 HB2 MET A 60 62.944 -4.973 5.853 1.00 1.09 H new ATOM 0 HB3 MET A 60 64.515 -4.221 5.655 1.00 1.09 H new ATOM 0 HG2 MET A 60 64.445 -6.631 7.443 1.00 1.42 H new ATOM 0 HG3 MET A 60 64.148 -6.938 5.743 1.00 1.42 H new ATOM 0 HE1 MET A 60 67.896 -7.918 6.273 1.00 1.71 H new ATOM 0 HE2 MET A 60 66.571 -8.046 7.454 1.00 1.71 H new ATOM 0 HE3 MET A 60 66.280 -8.445 5.744 1.00 1.71 H new ATOM 935 N ILE A 61 63.288 -1.887 7.310 1.00 0.91 N ATOM 936 CA ILE A 61 63.621 -0.435 7.245 1.00 0.95 C ATOM 937 C ILE A 61 63.616 0.174 8.651 1.00 0.94 C ATOM 938 O ILE A 61 64.184 1.221 8.887 1.00 1.06 O ATOM 939 CB ILE A 61 62.515 0.184 6.390 1.00 1.03 C ATOM 940 CG1 ILE A 61 62.743 -0.180 4.921 1.00 1.35 C ATOM 941 CG2 ILE A 61 62.537 1.704 6.547 1.00 1.55 C ATOM 942 CD1 ILE A 61 61.456 0.064 4.131 1.00 1.56 C ATOM 0 H ILE A 61 62.323 -2.122 7.076 1.00 0.91 H new ATOM 0 HA ILE A 61 64.611 -0.256 6.826 1.00 0.95 H new ATOM 0 HB ILE A 61 61.548 -0.200 6.715 1.00 1.03 H new ATOM 0 HG12 ILE A 61 63.555 0.419 4.508 1.00 1.35 H new ATOM 0 HG13 ILE A 61 63.042 -1.225 4.836 1.00 1.35 H new ATOM 0 HG21 ILE A 61 61.748 2.144 5.937 1.00 1.55 H new ATOM 0 HG22 ILE A 61 62.375 1.964 7.593 1.00 1.55 H new ATOM 0 HG23 ILE A 61 63.504 2.089 6.223 1.00 1.55 H new ATOM 0 HD11 ILE A 61 61.617 -0.195 3.084 1.00 1.56 H new ATOM 0 HD12 ILE A 61 60.656 -0.554 4.539 1.00 1.56 H new ATOM 0 HD13 ILE A 61 61.177 1.115 4.206 1.00 1.56 H new ATOM 954 N ASP A 62 62.975 -0.474 9.583 1.00 1.09 N ATOM 955 CA ASP A 62 62.927 0.066 10.972 1.00 1.09 C ATOM 956 C ASP A 62 64.172 -0.358 11.758 1.00 1.11 C ATOM 957 O ASP A 62 64.372 0.048 12.886 1.00 1.24 O ATOM 958 CB ASP A 62 61.669 -0.548 11.587 1.00 1.22 C ATOM 959 CG ASP A 62 61.437 0.042 12.979 1.00 1.40 C ATOM 960 OD1 ASP A 62 61.009 1.182 13.054 1.00 1.87 O ATOM 961 OD2 ASP A 62 61.691 -0.656 13.947 1.00 1.91 O ATOM 0 H ASP A 62 62.481 -1.356 9.443 1.00 1.09 H new ATOM 0 HA ASP A 62 62.904 1.156 10.989 1.00 1.09 H new ATOM 0 HB2 ASP A 62 60.807 -0.351 10.949 1.00 1.22 H new ATOM 0 HB3 ASP A 62 61.776 -1.631 11.653 1.00 1.22 H new ATOM 966 N GLU A 63 65.011 -1.169 11.172 1.00 1.18 N ATOM 967 CA GLU A 63 66.239 -1.615 11.893 1.00 1.31 C ATOM 968 C GLU A 63 67.494 -1.160 11.142 1.00 1.18 C ATOM 969 O GLU A 63 68.604 -1.373 11.586 1.00 1.41 O ATOM 970 CB GLU A 63 66.155 -3.141 11.919 1.00 1.50 C ATOM 971 CG GLU A 63 66.106 -3.676 10.488 1.00 1.93 C ATOM 972 CD GLU A 63 66.550 -5.140 10.475 1.00 1.91 C ATOM 973 OE1 GLU A 63 66.312 -5.820 11.460 1.00 2.24 O ATOM 974 OE2 GLU A 63 67.123 -5.555 9.482 1.00 2.33 O ATOM 0 H GLU A 63 64.900 -1.541 10.229 1.00 1.18 H new ATOM 0 HA GLU A 63 66.300 -1.193 12.896 1.00 1.31 H new ATOM 0 HB2 GLU A 63 67.017 -3.554 12.443 1.00 1.50 H new ATOM 0 HB3 GLU A 63 65.267 -3.457 12.467 1.00 1.50 H new ATOM 0 HG2 GLU A 63 65.095 -3.588 10.090 1.00 1.93 H new ATOM 0 HG3 GLU A 63 66.755 -3.082 9.844 1.00 1.93 H new ATOM 981 N VAL A 64 67.329 -0.534 10.008 1.00 0.93 N ATOM 982 CA VAL A 64 68.518 -0.069 9.237 1.00 0.92 C ATOM 983 C VAL A 64 68.572 1.462 9.213 1.00 0.95 C ATOM 984 O VAL A 64 69.597 2.052 8.935 1.00 1.37 O ATOM 985 CB VAL A 64 68.321 -0.624 7.826 1.00 0.91 C ATOM 986 CG1 VAL A 64 67.178 0.123 7.136 1.00 1.66 C ATOM 987 CG2 VAL A 64 69.611 -0.436 7.023 1.00 1.51 C ATOM 0 H VAL A 64 66.426 -0.325 9.583 1.00 0.93 H new ATOM 0 HA VAL A 64 69.454 -0.410 9.680 1.00 0.92 H new ATOM 0 HB VAL A 64 68.077 -1.685 7.883 1.00 0.91 H new ATOM 0 HG11 VAL A 64 67.039 -0.274 6.130 1.00 1.66 H new ATOM 0 HG12 VAL A 64 66.260 -0.008 7.708 1.00 1.66 H new ATOM 0 HG13 VAL A 64 67.420 1.184 7.077 1.00 1.66 H new ATOM 0 HG21 VAL A 64 69.474 -0.831 6.016 1.00 1.51 H new ATOM 0 HG22 VAL A 64 69.853 0.625 6.967 1.00 1.51 H new ATOM 0 HG23 VAL A 64 70.426 -0.968 7.514 1.00 1.51 H new ATOM 997 N ASP A 65 67.478 2.109 9.506 1.00 0.96 N ATOM 998 CA ASP A 65 67.471 3.600 9.504 1.00 1.02 C ATOM 999 C ASP A 65 68.475 4.132 10.531 1.00 1.06 C ATOM 1000 O ASP A 65 68.203 4.176 11.714 1.00 1.22 O ATOM 1001 CB ASP A 65 66.045 3.991 9.895 1.00 1.24 C ATOM 1002 CG ASP A 65 65.771 5.429 9.454 1.00 1.68 C ATOM 1003 OD1 ASP A 65 66.665 6.032 8.882 1.00 2.50 O ATOM 1004 OD2 ASP A 65 64.674 5.903 9.693 1.00 1.96 O ATOM 0 H ASP A 65 66.589 1.671 9.747 1.00 0.96 H new ATOM 0 HA ASP A 65 67.755 4.014 8.537 1.00 1.02 H new ATOM 0 HB2 ASP A 65 65.330 3.314 9.428 1.00 1.24 H new ATOM 0 HB3 ASP A 65 65.914 3.899 10.973 1.00 1.24 H new ATOM 1009 N GLU A 66 69.636 4.533 10.088 1.00 1.15 N ATOM 1010 CA GLU A 66 70.659 5.058 11.037 1.00 1.37 C ATOM 1011 C GLU A 66 70.207 6.402 11.611 1.00 1.34 C ATOM 1012 O GLU A 66 70.147 6.588 12.810 1.00 1.62 O ATOM 1013 CB GLU A 66 71.925 5.232 10.199 1.00 1.74 C ATOM 1014 CG GLU A 66 73.151 4.889 11.046 1.00 1.95 C ATOM 1015 CD GLU A 66 74.393 4.841 10.154 1.00 2.73 C ATOM 1016 OE1 GLU A 66 75.026 5.872 9.997 1.00 3.39 O ATOM 1017 OE2 GLU A 66 74.691 3.774 9.643 1.00 3.12 O ATOM 0 H GLU A 66 69.920 4.520 9.109 1.00 1.15 H new ATOM 0 HA GLU A 66 70.819 4.389 11.883 1.00 1.37 H new ATOM 0 HB2 GLU A 66 71.884 4.586 9.322 1.00 1.74 H new ATOM 0 HB3 GLU A 66 71.996 6.258 9.837 1.00 1.74 H new ATOM 0 HG2 GLU A 66 73.283 5.633 11.831 1.00 1.95 H new ATOM 0 HG3 GLU A 66 73.008 3.928 11.539 1.00 1.95 H new ATOM 1024 N ASP A 67 69.891 7.343 10.763 1.00 1.42 N ATOM 1025 CA ASP A 67 69.446 8.675 11.261 1.00 1.67 C ATOM 1026 C ASP A 67 68.005 8.595 11.773 1.00 1.70 C ATOM 1027 O ASP A 67 67.481 9.540 12.329 1.00 2.12 O ATOM 1028 CB ASP A 67 69.533 9.600 10.049 1.00 2.50 C ATOM 1029 CG ASP A 67 68.432 9.237 9.050 1.00 3.17 C ATOM 1030 OD1 ASP A 67 67.930 8.128 9.130 1.00 3.45 O ATOM 1031 OD2 ASP A 67 68.111 10.073 8.222 1.00 3.83 O ATOM 0 H ASP A 67 69.922 7.247 9.748 1.00 1.42 H new ATOM 0 HA ASP A 67 70.058 9.031 12.090 1.00 1.67 H new ATOM 0 HB2 ASP A 67 69.426 10.639 10.362 1.00 2.50 H new ATOM 0 HB3 ASP A 67 70.511 9.508 9.577 1.00 2.50 H new ATOM 1036 N GLY A 68 67.362 7.475 11.590 1.00 1.77 N ATOM 1037 CA GLY A 68 65.956 7.338 12.067 1.00 2.43 C ATOM 1038 C GLY A 68 65.150 8.568 11.643 1.00 2.01 C ATOM 1039 O GLY A 68 64.322 9.063 12.381 1.00 2.65 O ATOM 0 H GLY A 68 67.748 6.650 11.132 1.00 1.77 H new ATOM 0 HA2 GLY A 68 65.507 6.435 11.653 1.00 2.43 H new ATOM 0 HA3 GLY A 68 65.937 7.234 13.152 1.00 2.43 H new ATOM 1043 N SER A 69 65.386 9.063 10.459 1.00 1.59 N ATOM 1044 CA SER A 69 64.632 10.261 9.990 1.00 1.99 C ATOM 1045 C SER A 69 63.198 9.871 9.620 1.00 1.42 C ATOM 1046 O SER A 69 62.361 10.714 9.363 1.00 1.97 O ATOM 1047 CB SER A 69 65.390 10.751 8.757 1.00 2.89 C ATOM 1048 OG SER A 69 65.583 9.663 7.862 1.00 3.53 O ATOM 0 H SER A 69 66.067 8.691 9.797 1.00 1.59 H new ATOM 0 HA SER A 69 64.564 11.032 10.757 1.00 1.99 H new ATOM 0 HB2 SER A 69 64.831 11.547 8.265 1.00 2.89 H new ATOM 0 HB3 SER A 69 66.352 11.171 9.050 1.00 2.89 H new ATOM 0 HG SER A 69 66.509 9.664 7.540 1.00 3.53 H new ATOM 1054 N GLY A 70 62.908 8.599 9.590 1.00 1.23 N ATOM 1055 CA GLY A 70 61.530 8.158 9.237 1.00 1.51 C ATOM 1056 C GLY A 70 61.521 7.597 7.814 1.00 1.28 C ATOM 1057 O GLY A 70 60.784 6.683 7.501 1.00 1.42 O ATOM 0 H GLY A 70 63.566 7.847 9.795 1.00 1.23 H new ATOM 0 HA2 GLY A 70 61.189 7.399 9.941 1.00 1.51 H new ATOM 0 HA3 GLY A 70 60.838 8.997 9.313 1.00 1.51 H new ATOM 1061 N THR A 71 62.334 8.138 6.948 1.00 1.12 N ATOM 1062 CA THR A 71 62.372 7.633 5.546 1.00 0.98 C ATOM 1063 C THR A 71 63.747 7.039 5.234 1.00 0.88 C ATOM 1064 O THR A 71 64.683 7.179 5.997 1.00 0.92 O ATOM 1065 CB THR A 71 62.109 8.863 4.675 1.00 1.11 C ATOM 1066 OG1 THR A 71 63.040 9.883 5.007 1.00 1.83 O ATOM 1067 CG2 THR A 71 60.687 9.368 4.918 1.00 1.34 C ATOM 0 H THR A 71 62.973 8.907 7.150 1.00 1.12 H new ATOM 0 HA THR A 71 61.639 6.845 5.371 1.00 0.98 H new ATOM 0 HB THR A 71 62.221 8.596 3.624 1.00 1.11 H new ATOM 0 HG1 THR A 71 63.539 10.145 4.205 1.00 1.83 H new ATOM 0 HG21 THR A 71 60.501 10.244 4.297 1.00 1.34 H new ATOM 0 HG22 THR A 71 59.974 8.584 4.663 1.00 1.34 H new ATOM 0 HG23 THR A 71 60.571 9.636 5.968 1.00 1.34 H new ATOM 1075 N VAL A 72 63.877 6.376 4.117 1.00 0.83 N ATOM 1076 CA VAL A 72 65.192 5.772 3.756 1.00 0.76 C ATOM 1077 C VAL A 72 65.899 6.641 2.713 1.00 0.68 C ATOM 1078 O VAL A 72 65.412 6.831 1.616 1.00 0.72 O ATOM 1079 CB VAL A 72 64.861 4.395 3.171 1.00 0.79 C ATOM 1080 CG1 VAL A 72 66.107 3.510 3.222 1.00 0.87 C ATOM 1081 CG2 VAL A 72 63.742 3.741 3.987 1.00 1.02 C ATOM 0 H VAL A 72 63.130 6.226 3.439 1.00 0.83 H new ATOM 0 HA VAL A 72 65.858 5.694 4.616 1.00 0.76 H new ATOM 0 HB VAL A 72 64.534 4.512 2.138 1.00 0.79 H new ATOM 0 HG11 VAL A 72 65.874 2.530 2.806 1.00 0.87 H new ATOM 0 HG12 VAL A 72 66.905 3.971 2.640 1.00 0.87 H new ATOM 0 HG13 VAL A 72 66.431 3.398 4.257 1.00 0.87 H new ATOM 0 HG21 VAL A 72 63.510 2.762 3.567 1.00 1.02 H new ATOM 0 HG22 VAL A 72 64.066 3.625 5.021 1.00 1.02 H new ATOM 0 HG23 VAL A 72 62.852 4.370 3.954 1.00 1.02 H new ATOM 1091 N ASP A 73 67.044 7.172 3.044 1.00 0.72 N ATOM 1092 CA ASP A 73 67.778 8.027 2.068 1.00 0.76 C ATOM 1093 C ASP A 73 68.766 7.181 1.262 1.00 0.83 C ATOM 1094 O ASP A 73 68.700 5.968 1.259 1.00 1.49 O ATOM 1095 CB ASP A 73 68.522 9.055 2.923 1.00 0.98 C ATOM 1096 CG ASP A 73 68.524 10.408 2.207 1.00 1.30 C ATOM 1097 OD1 ASP A 73 68.413 10.413 0.992 1.00 1.89 O ATOM 1098 OD2 ASP A 73 68.636 11.414 2.887 1.00 1.99 O ATOM 0 H ASP A 73 67.503 7.051 3.947 1.00 0.72 H new ATOM 0 HA ASP A 73 67.109 8.502 1.350 1.00 0.76 H new ATOM 0 HB2 ASP A 73 68.043 9.148 3.898 1.00 0.98 H new ATOM 0 HB3 ASP A 73 69.545 8.724 3.101 1.00 0.98 H new ATOM 1103 N PHE A 74 69.678 7.811 0.574 1.00 0.67 N ATOM 1104 CA PHE A 74 70.667 7.040 -0.234 1.00 0.64 C ATOM 1105 C PHE A 74 71.692 6.364 0.681 1.00 0.73 C ATOM 1106 O PHE A 74 72.398 5.460 0.277 1.00 0.87 O ATOM 1107 CB PHE A 74 71.347 8.078 -1.127 1.00 0.79 C ATOM 1108 CG PHE A 74 72.239 7.376 -2.123 1.00 0.86 C ATOM 1109 CD1 PHE A 74 71.674 6.652 -3.179 1.00 1.68 C ATOM 1110 CD2 PHE A 74 73.630 7.445 -1.987 1.00 1.33 C ATOM 1111 CE1 PHE A 74 72.502 5.998 -4.102 1.00 1.78 C ATOM 1112 CE2 PHE A 74 74.458 6.793 -2.908 1.00 1.45 C ATOM 1113 CZ PHE A 74 73.893 6.068 -3.965 1.00 1.20 C ATOM 0 H PHE A 74 69.782 8.825 0.536 1.00 0.67 H new ATOM 0 HA PHE A 74 70.194 6.249 -0.816 1.00 0.64 H new ATOM 0 HB2 PHE A 74 70.597 8.672 -1.649 1.00 0.79 H new ATOM 0 HB3 PHE A 74 71.933 8.768 -0.520 1.00 0.79 H new ATOM 0 HD1 PHE A 74 70.600 6.597 -3.283 1.00 1.68 H new ATOM 0 HD2 PHE A 74 74.065 8.002 -1.170 1.00 1.33 H new ATOM 0 HE1 PHE A 74 72.067 5.441 -4.918 1.00 1.78 H new ATOM 0 HE2 PHE A 74 75.532 6.849 -2.804 1.00 1.45 H new ATOM 0 HZ PHE A 74 74.531 5.563 -4.675 1.00 1.20 H new ATOM 1123 N ASP A 75 71.780 6.791 1.912 1.00 0.94 N ATOM 1124 CA ASP A 75 72.759 6.168 2.849 1.00 1.11 C ATOM 1125 C ASP A 75 72.131 4.951 3.532 1.00 0.90 C ATOM 1126 O ASP A 75 72.746 3.912 3.660 1.00 0.94 O ATOM 1127 CB ASP A 75 73.075 7.258 3.876 1.00 1.45 C ATOM 1128 CG ASP A 75 74.581 7.527 3.889 1.00 2.16 C ATOM 1129 OD1 ASP A 75 75.105 7.906 2.853 1.00 2.78 O ATOM 1130 OD2 ASP A 75 75.186 7.353 4.933 1.00 2.66 O ATOM 0 H ASP A 75 71.217 7.543 2.309 1.00 0.94 H new ATOM 0 HA ASP A 75 73.657 5.819 2.339 1.00 1.11 H new ATOM 0 HB2 ASP A 75 72.534 8.172 3.630 1.00 1.45 H new ATOM 0 HB3 ASP A 75 72.742 6.947 4.866 1.00 1.45 H new ATOM 1135 N GLU A 76 70.908 5.073 3.971 1.00 0.81 N ATOM 1136 CA GLU A 76 70.236 3.925 4.644 1.00 0.76 C ATOM 1137 C GLU A 76 69.653 2.973 3.598 1.00 0.62 C ATOM 1138 O GLU A 76 69.576 1.778 3.803 1.00 0.61 O ATOM 1139 CB GLU A 76 69.120 4.556 5.476 1.00 0.93 C ATOM 1140 CG GLU A 76 69.720 5.605 6.413 1.00 1.09 C ATOM 1141 CD GLU A 76 69.110 6.977 6.114 1.00 1.59 C ATOM 1142 OE1 GLU A 76 68.151 7.027 5.363 1.00 2.25 O ATOM 1143 OE2 GLU A 76 69.613 7.953 6.643 1.00 1.93 O ATOM 0 H GLU A 76 70.344 5.919 3.893 1.00 0.81 H new ATOM 0 HA GLU A 76 70.923 3.342 5.258 1.00 0.76 H new ATOM 0 HB2 GLU A 76 68.379 5.017 4.822 1.00 0.93 H new ATOM 0 HB3 GLU A 76 68.603 3.789 6.053 1.00 0.93 H new ATOM 0 HG2 GLU A 76 69.530 5.331 7.451 1.00 1.09 H new ATOM 0 HG3 GLU A 76 70.802 5.643 6.287 1.00 1.09 H new ATOM 1150 N PHE A 77 69.240 3.496 2.478 1.00 0.59 N ATOM 1151 CA PHE A 77 68.661 2.625 1.416 1.00 0.57 C ATOM 1152 C PHE A 77 69.665 1.538 1.018 1.00 0.59 C ATOM 1153 O PHE A 77 69.298 0.427 0.694 1.00 0.71 O ATOM 1154 CB PHE A 77 68.392 3.560 0.237 1.00 0.62 C ATOM 1155 CG PHE A 77 67.877 2.756 -0.932 1.00 0.72 C ATOM 1156 CD1 PHE A 77 66.963 1.718 -0.716 1.00 1.51 C ATOM 1157 CD2 PHE A 77 68.313 3.045 -2.230 1.00 1.42 C ATOM 1158 CE1 PHE A 77 66.485 0.969 -1.798 1.00 1.76 C ATOM 1159 CE2 PHE A 77 67.836 2.297 -3.313 1.00 1.60 C ATOM 1160 CZ PHE A 77 66.922 1.259 -3.096 1.00 1.37 C ATOM 0 H PHE A 77 69.278 4.490 2.251 1.00 0.59 H new ATOM 0 HA PHE A 77 67.756 2.117 1.748 1.00 0.57 H new ATOM 0 HB2 PHE A 77 67.663 4.319 0.520 1.00 0.62 H new ATOM 0 HB3 PHE A 77 69.306 4.084 -0.042 1.00 0.62 H new ATOM 0 HD1 PHE A 77 66.626 1.495 0.286 1.00 1.51 H new ATOM 0 HD2 PHE A 77 69.018 3.846 -2.396 1.00 1.42 H new ATOM 0 HE1 PHE A 77 65.780 0.168 -1.631 1.00 1.76 H new ATOM 0 HE2 PHE A 77 68.173 2.520 -4.315 1.00 1.60 H new ATOM 0 HZ PHE A 77 66.554 0.681 -3.931 1.00 1.37 H new ATOM 1170 N LEU A 78 70.932 1.856 1.039 1.00 0.57 N ATOM 1171 CA LEU A 78 71.962 0.847 0.659 1.00 0.62 C ATOM 1172 C LEU A 78 72.088 -0.224 1.747 1.00 0.61 C ATOM 1173 O LEU A 78 72.060 -1.407 1.472 1.00 0.68 O ATOM 1174 CB LEU A 78 73.263 1.640 0.534 1.00 0.66 C ATOM 1175 CG LEU A 78 73.456 2.078 -0.919 1.00 0.73 C ATOM 1176 CD1 LEU A 78 74.772 2.847 -1.049 1.00 1.10 C ATOM 1177 CD2 LEU A 78 73.497 0.842 -1.821 1.00 1.34 C ATOM 0 H LEU A 78 71.298 2.771 1.303 1.00 0.57 H new ATOM 0 HA LEU A 78 71.708 0.328 -0.265 1.00 0.62 H new ATOM 0 HB2 LEU A 78 73.234 2.512 1.187 1.00 0.66 H new ATOM 0 HB3 LEU A 78 74.106 1.029 0.856 1.00 0.66 H new ATOM 0 HG LEU A 78 72.628 2.721 -1.219 1.00 0.73 H new ATOM 0 HD11 LEU A 78 74.910 3.159 -2.084 1.00 1.10 H new ATOM 0 HD12 LEU A 78 74.745 3.726 -0.405 1.00 1.10 H new ATOM 0 HD13 LEU A 78 75.600 2.204 -0.750 1.00 1.10 H new ATOM 0 HD21 LEU A 78 73.634 1.152 -2.857 1.00 1.34 H new ATOM 0 HD22 LEU A 78 74.325 0.200 -1.521 1.00 1.34 H new ATOM 0 HD23 LEU A 78 72.560 0.292 -1.728 1.00 1.34 H new ATOM 1189 N VAL A 79 72.230 0.181 2.981 1.00 0.64 N ATOM 1190 CA VAL A 79 72.358 -0.818 4.081 1.00 0.68 C ATOM 1191 C VAL A 79 71.275 -1.891 3.948 1.00 0.78 C ATOM 1192 O VAL A 79 71.548 -3.074 4.003 1.00 0.92 O ATOM 1193 CB VAL A 79 72.167 -0.015 5.367 1.00 0.73 C ATOM 1194 CG1 VAL A 79 72.416 -0.919 6.577 1.00 1.15 C ATOM 1195 CG2 VAL A 79 73.160 1.149 5.389 1.00 0.91 C ATOM 0 H VAL A 79 72.263 1.157 3.274 1.00 0.64 H new ATOM 0 HA VAL A 79 73.318 -1.334 4.063 1.00 0.68 H new ATOM 0 HB VAL A 79 71.149 0.371 5.407 1.00 0.73 H new ATOM 0 HG11 VAL A 79 72.280 -0.346 7.494 1.00 1.15 H new ATOM 0 HG12 VAL A 79 71.712 -1.751 6.561 1.00 1.15 H new ATOM 0 HG13 VAL A 79 73.434 -1.305 6.539 1.00 1.15 H new ATOM 0 HG21 VAL A 79 73.026 1.724 6.305 1.00 0.91 H new ATOM 0 HG22 VAL A 79 74.177 0.760 5.350 1.00 0.91 H new ATOM 0 HG23 VAL A 79 72.984 1.793 4.528 1.00 0.91 H new ATOM 1205 N MET A 80 70.047 -1.491 3.766 1.00 0.82 N ATOM 1206 CA MET A 80 68.956 -2.495 3.622 1.00 0.93 C ATOM 1207 C MET A 80 69.335 -3.517 2.548 1.00 0.92 C ATOM 1208 O MET A 80 69.189 -4.709 2.730 1.00 0.99 O ATOM 1209 CB MET A 80 67.729 -1.691 3.193 1.00 1.04 C ATOM 1210 CG MET A 80 66.580 -1.947 4.170 1.00 1.05 C ATOM 1211 SD MET A 80 65.327 -2.979 3.371 1.00 1.64 S ATOM 1212 CE MET A 80 64.656 -1.707 2.272 1.00 1.27 C ATOM 0 H MET A 80 69.753 -0.516 3.711 1.00 0.82 H new ATOM 0 HA MET A 80 68.772 -3.048 4.543 1.00 0.93 H new ATOM 0 HB2 MET A 80 67.969 -0.628 3.168 1.00 1.04 H new ATOM 0 HB3 MET A 80 67.431 -1.974 2.183 1.00 1.04 H new ATOM 0 HG2 MET A 80 66.954 -2.440 5.067 1.00 1.05 H new ATOM 0 HG3 MET A 80 66.140 -1.001 4.486 1.00 1.05 H new ATOM 0 HE1 MET A 80 63.646 -1.447 2.590 1.00 1.27 H new ATOM 0 HE2 MET A 80 65.289 -0.820 2.312 1.00 1.27 H new ATOM 0 HE3 MET A 80 64.628 -2.086 1.251 1.00 1.27 H new ATOM 1222 N MET A 81 69.825 -3.057 1.430 1.00 0.86 N ATOM 1223 CA MET A 81 70.219 -3.997 0.343 1.00 0.88 C ATOM 1224 C MET A 81 71.324 -4.937 0.838 1.00 0.90 C ATOM 1225 O MET A 81 71.155 -6.140 0.884 1.00 1.04 O ATOM 1226 CB MET A 81 70.741 -3.103 -0.782 1.00 0.86 C ATOM 1227 CG MET A 81 69.596 -2.754 -1.733 1.00 0.97 C ATOM 1228 SD MET A 81 69.811 -3.653 -3.290 1.00 1.31 S ATOM 1229 CE MET A 81 68.092 -3.553 -3.843 1.00 0.93 C ATOM 0 H MET A 81 69.970 -2.069 1.222 1.00 0.86 H new ATOM 0 HA MET A 81 69.390 -4.623 0.014 1.00 0.88 H new ATOM 0 HB2 MET A 81 71.172 -2.192 -0.366 1.00 0.86 H new ATOM 0 HB3 MET A 81 71.536 -3.613 -1.326 1.00 0.86 H new ATOM 0 HG2 MET A 81 68.640 -3.014 -1.279 1.00 0.97 H new ATOM 0 HG3 MET A 81 69.578 -1.680 -1.920 1.00 0.97 H new ATOM 0 HE1 MET A 81 68.059 -3.560 -4.932 1.00 0.93 H new ATOM 0 HE2 MET A 81 67.536 -4.407 -3.458 1.00 0.93 H new ATOM 0 HE3 MET A 81 67.644 -2.631 -3.473 1.00 0.93 H new ATOM 1239 N VAL A 82 72.452 -4.397 1.209 1.00 0.81 N ATOM 1240 CA VAL A 82 73.567 -5.257 1.703 1.00 0.87 C ATOM 1241 C VAL A 82 73.073 -6.158 2.838 1.00 0.93 C ATOM 1242 O VAL A 82 73.559 -7.254 3.032 1.00 1.06 O ATOM 1243 CB VAL A 82 74.622 -4.278 2.217 1.00 0.86 C ATOM 1244 CG1 VAL A 82 73.992 -3.348 3.253 1.00 1.12 C ATOM 1245 CG2 VAL A 82 75.766 -5.053 2.871 1.00 1.38 C ATOM 0 H VAL A 82 72.651 -3.397 1.192 1.00 0.81 H new ATOM 0 HA VAL A 82 73.962 -5.911 0.926 1.00 0.87 H new ATOM 0 HB VAL A 82 75.007 -3.693 1.382 1.00 0.86 H new ATOM 0 HG11 VAL A 82 74.744 -2.650 3.620 1.00 1.12 H new ATOM 0 HG12 VAL A 82 73.174 -2.793 2.794 1.00 1.12 H new ATOM 0 HG13 VAL A 82 73.608 -3.938 4.085 1.00 1.12 H new ATOM 0 HG21 VAL A 82 76.517 -4.353 3.237 1.00 1.38 H new ATOM 0 HG22 VAL A 82 75.379 -5.638 3.705 1.00 1.38 H new ATOM 0 HG23 VAL A 82 76.219 -5.721 2.138 1.00 1.38 H new ATOM 1255 N ARG A 83 72.110 -5.700 3.590 1.00 0.92 N ATOM 1256 CA ARG A 83 71.582 -6.524 4.715 1.00 1.06 C ATOM 1257 C ARG A 83 70.698 -7.654 4.179 1.00 1.17 C ATOM 1258 O ARG A 83 70.509 -8.666 4.824 1.00 1.35 O ATOM 1259 CB ARG A 83 70.757 -5.552 5.560 1.00 1.12 C ATOM 1260 CG ARG A 83 71.678 -4.802 6.526 1.00 1.21 C ATOM 1261 CD ARG A 83 70.955 -4.594 7.859 1.00 1.42 C ATOM 1262 NE ARG A 83 71.772 -3.583 8.586 1.00 1.54 N ATOM 1263 CZ ARG A 83 71.699 -3.501 9.886 1.00 1.90 C ATOM 1264 NH1 ARG A 83 70.595 -3.830 10.499 1.00 1.93 N ATOM 1265 NH2 ARG A 83 72.729 -3.090 10.574 1.00 2.73 N ATOM 0 H ARG A 83 71.665 -4.789 3.474 1.00 0.92 H new ATOM 0 HA ARG A 83 72.378 -6.994 5.292 1.00 1.06 H new ATOM 0 HB2 ARG A 83 70.237 -4.844 4.914 1.00 1.12 H new ATOM 0 HB3 ARG A 83 69.994 -6.096 6.117 1.00 1.12 H new ATOM 0 HG2 ARG A 83 72.597 -5.367 6.682 1.00 1.21 H new ATOM 0 HG3 ARG A 83 71.964 -3.840 6.101 1.00 1.21 H new ATOM 0 HD2 ARG A 83 69.936 -4.241 7.704 1.00 1.42 H new ATOM 0 HD3 ARG A 83 70.888 -5.525 8.421 1.00 1.42 H new ATOM 0 HE ARG A 83 72.388 -2.956 8.068 1.00 1.54 H new ATOM 0 HH11 ARG A 83 69.790 -4.151 9.962 1.00 1.93 H new ATOM 0 HH12 ARG A 83 70.537 -3.766 11.515 1.00 1.93 H new ATOM 0 HH21 ARG A 83 73.592 -2.832 10.095 1.00 2.73 H new ATOM 0 HH22 ARG A 83 72.671 -3.026 11.590 1.00 2.73 H new ATOM 1279 N CYS A 84 70.153 -7.490 3.003 1.00 1.21 N ATOM 1280 CA CYS A 84 69.279 -8.556 2.430 1.00 1.46 C ATOM 1281 C CYS A 84 70.100 -9.498 1.545 1.00 1.52 C ATOM 1282 O CYS A 84 69.789 -10.664 1.408 1.00 1.97 O ATOM 1283 CB CYS A 84 68.237 -7.809 1.598 1.00 1.72 C ATOM 1284 SG CYS A 84 67.227 -9.002 0.685 1.00 2.58 S ATOM 0 H CYS A 84 70.275 -6.666 2.415 1.00 1.21 H new ATOM 0 HA CYS A 84 68.819 -9.171 3.203 1.00 1.46 H new ATOM 0 HB2 CYS A 84 67.605 -7.202 2.246 1.00 1.72 H new ATOM 0 HB3 CYS A 84 68.730 -7.127 0.905 1.00 1.72 H new ATOM 0 HG CYS A 84 67.817 -10.160 0.686 1.00 2.58 H new ATOM 1290 N MET A 85 71.145 -9.000 0.943 1.00 1.31 N ATOM 1291 CA MET A 85 71.982 -9.869 0.066 1.00 1.51 C ATOM 1292 C MET A 85 73.129 -10.487 0.871 1.00 1.66 C ATOM 1293 O MET A 85 73.686 -11.498 0.498 1.00 2.46 O ATOM 1294 CB MET A 85 72.527 -8.937 -1.016 1.00 1.47 C ATOM 1295 CG MET A 85 73.461 -7.904 -0.381 1.00 1.57 C ATOM 1296 SD MET A 85 74.391 -7.053 -1.680 1.00 1.89 S ATOM 1297 CE MET A 85 73.129 -5.822 -2.089 1.00 1.57 C ATOM 0 H MET A 85 71.456 -8.031 1.020 1.00 1.31 H new ATOM 0 HA MET A 85 71.412 -10.695 -0.359 1.00 1.51 H new ATOM 0 HB2 MET A 85 73.064 -9.513 -1.770 1.00 1.47 H new ATOM 0 HB3 MET A 85 71.705 -8.434 -1.525 1.00 1.47 H new ATOM 0 HG2 MET A 85 72.884 -7.184 0.199 1.00 1.57 H new ATOM 0 HG3 MET A 85 74.146 -8.394 0.310 1.00 1.57 H new ATOM 0 HE1 MET A 85 72.997 -5.782 -3.170 1.00 1.57 H new ATOM 0 HE2 MET A 85 72.185 -6.098 -1.618 1.00 1.57 H new ATOM 0 HE3 MET A 85 73.443 -4.844 -1.725 1.00 1.57 H new