USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=18 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 -101:sc= 1.96 USER MOD Set 1.2: A 71 THR OG1 : rot -35:sc= -0.162 USER MOD Set 2.1: A 60 MET CE :methyl -126:sc= -1.39 (180deg=-1.92) USER MOD Set 2.2: A 84 CYS SG : rot -33:sc= 0.171 USER MOD Set 3.1: A 45 MET CE :methyl 180:sc= -1.38 (180deg=-0.62) USER MOD Set 3.2: A 81 MET CE :methyl -125:sc= -8.24! (180deg=-18.4!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -5.32! K(o=-5.3!,f=-1.4) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.215 USER MOD Single : A 16 GLN : amide:sc= -0.0359 X(o=-0.036,f=-0.027) USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= -2.59! (180deg=-4.2!) USER MOD Single : A 18 ASN : amide:sc= 0.525 K(o=0.53,f=-0.21) USER MOD Single : A 21 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.236) USER MOD Single : A 35 CYS SG : rot 18:sc= 0.392 USER MOD Single : A 37 SER OG : rot 180:sc= -0.05 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -119:sc=-0.000125 (180deg=-0.255) USER MOD Single : A 47 MET CE :methyl 138:sc= -2.95 (180deg=-3.84!) USER MOD Single : A 50 GLN : amide:sc= -0.108 K(o=-0.11,f=-3!) USER MOD Single : A 51 ASN : amide:sc= 0.437 X(o=0.44,f=0) USER MOD Single : A 53 THR OG1 : rot -160:sc= -0.571 USER MOD Single : A 58 GLN : amide:sc= -2.15! K(o=-2.2!,f=-1) USER MOD Single : A 80 MET CE :methyl -125:sc= -0.496 (180deg=-2.94!) USER MOD Single : A 85 MET CE :methyl -162:sc= 0 (180deg=-0.2) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR A 5 79.308 -3.090 9.079 1.00 1.29 N ATOM 64 CA TYR A 5 78.404 -2.909 7.908 1.00 1.15 C ATOM 65 C TYR A 5 78.836 -1.690 7.092 1.00 1.04 C ATOM 66 O TYR A 5 78.588 -1.606 5.905 1.00 1.02 O ATOM 67 CB TYR A 5 77.016 -2.685 8.507 1.00 1.16 C ATOM 68 CG TYR A 5 76.419 -4.014 8.902 1.00 1.39 C ATOM 69 CD1 TYR A 5 76.864 -4.664 10.058 1.00 1.97 C ATOM 70 CD2 TYR A 5 75.423 -4.596 8.109 1.00 1.89 C ATOM 71 CE1 TYR A 5 76.312 -5.897 10.424 1.00 2.21 C ATOM 72 CE2 TYR A 5 74.871 -5.829 8.476 1.00 2.12 C ATOM 73 CZ TYR A 5 75.316 -6.480 9.632 1.00 1.97 C ATOM 74 OH TYR A 5 74.772 -7.697 9.993 1.00 2.28 O ATOM 0 HA TYR A 5 78.424 -3.767 7.236 1.00 1.15 H new ATOM 0 HB2 TYR A 5 77.085 -2.032 9.377 1.00 1.16 H new ATOM 0 HB3 TYR A 5 76.372 -2.185 7.783 1.00 1.16 H new ATOM 0 HD1 TYR A 5 77.633 -4.214 10.668 1.00 1.97 H new ATOM 0 HD2 TYR A 5 75.081 -4.095 7.216 1.00 1.89 H new ATOM 0 HE1 TYR A 5 76.654 -6.398 11.317 1.00 2.21 H new ATOM 0 HE2 TYR A 5 74.101 -6.278 7.866 1.00 2.12 H new ATOM 0 HH TYR A 5 74.093 -7.960 9.337 1.00 2.28 H new ATOM 84 N LYS A 6 79.477 -0.743 7.719 1.00 1.08 N ATOM 85 CA LYS A 6 79.922 0.470 6.977 1.00 1.15 C ATOM 86 C LYS A 6 80.984 0.094 5.941 1.00 1.34 C ATOM 87 O LYS A 6 81.276 0.849 5.034 1.00 1.48 O ATOM 88 CB LYS A 6 80.509 1.394 8.043 1.00 1.28 C ATOM 89 CG LYS A 6 79.679 2.677 8.117 1.00 1.93 C ATOM 90 CD LYS A 6 79.722 3.236 9.540 1.00 2.17 C ATOM 91 CE LYS A 6 78.995 4.582 9.579 1.00 3.13 C ATOM 92 NZ LYS A 6 77.692 4.297 10.245 1.00 3.45 N ATOM 0 H LYS A 6 79.712 -0.756 8.712 1.00 1.08 H new ATOM 0 HA LYS A 6 79.106 0.946 6.434 1.00 1.15 H new ATOM 0 HB2 LYS A 6 80.513 0.894 9.011 1.00 1.28 H new ATOM 0 HB3 LYS A 6 81.545 1.632 7.803 1.00 1.28 H new ATOM 0 HG2 LYS A 6 80.067 3.414 7.414 1.00 1.93 H new ATOM 0 HG3 LYS A 6 78.648 2.472 7.827 1.00 1.93 H new ATOM 0 HD2 LYS A 6 79.253 2.536 10.232 1.00 2.17 H new ATOM 0 HD3 LYS A 6 80.756 3.359 9.863 1.00 2.17 H new ATOM 0 HE2 LYS A 6 79.568 5.324 10.134 1.00 3.13 H new ATOM 0 HE3 LYS A 6 78.847 4.980 8.575 1.00 3.13 H new ATOM 0 HZ1 LYS A 6 77.136 5.173 10.309 1.00 3.45 H new ATOM 0 HZ2 LYS A 6 77.165 3.592 9.690 1.00 3.45 H new ATOM 0 HZ3 LYS A 6 77.865 3.926 11.201 1.00 3.45 H new ATOM 106 N ALA A 7 81.560 -1.070 6.066 1.00 1.45 N ATOM 107 CA ALA A 7 82.597 -1.495 5.085 1.00 1.74 C ATOM 108 C ALA A 7 81.932 -2.185 3.892 1.00 1.74 C ATOM 109 O ALA A 7 82.313 -1.991 2.755 1.00 1.92 O ATOM 110 CB ALA A 7 83.486 -2.477 5.847 1.00 1.95 C ATOM 0 H ALA A 7 81.357 -1.744 6.804 1.00 1.45 H new ATOM 0 HA ALA A 7 83.168 -0.654 4.692 1.00 1.74 H new ATOM 0 HB1 ALA A 7 84.278 -2.837 5.190 1.00 1.95 H new ATOM 0 HB2 ALA A 7 83.929 -1.975 6.707 1.00 1.95 H new ATOM 0 HB3 ALA A 7 82.887 -3.321 6.188 1.00 1.95 H new ATOM 116 N ALA A 8 80.934 -2.987 4.145 1.00 1.60 N ATOM 117 CA ALA A 8 80.237 -3.688 3.030 1.00 1.68 C ATOM 118 C ALA A 8 79.661 -2.666 2.045 1.00 1.49 C ATOM 119 O ALA A 8 79.818 -2.788 0.846 1.00 1.62 O ATOM 120 CB ALA A 8 79.114 -4.478 3.703 1.00 1.71 C ATOM 0 H ALA A 8 80.571 -3.187 5.077 1.00 1.60 H new ATOM 0 HA ALA A 8 80.906 -4.335 2.462 1.00 1.68 H new ATOM 0 HB1 ALA A 8 78.550 -5.025 2.947 1.00 1.71 H new ATOM 0 HB2 ALA A 8 79.542 -5.182 4.417 1.00 1.71 H new ATOM 0 HB3 ALA A 8 78.448 -3.791 4.226 1.00 1.71 H new ATOM 126 N VAL A 9 78.996 -1.658 2.541 1.00 1.25 N ATOM 127 CA VAL A 9 78.413 -0.629 1.632 1.00 1.20 C ATOM 128 C VAL A 9 79.493 -0.072 0.703 1.00 1.40 C ATOM 129 O VAL A 9 79.386 -0.148 -0.505 1.00 1.41 O ATOM 130 CB VAL A 9 77.887 0.468 2.559 1.00 1.13 C ATOM 131 CG1 VAL A 9 77.296 1.603 1.721 1.00 1.83 C ATOM 132 CG2 VAL A 9 76.803 -0.109 3.470 1.00 1.52 C ATOM 0 H VAL A 9 78.831 -1.502 3.535 1.00 1.25 H new ATOM 0 HA VAL A 9 77.627 -1.038 0.997 1.00 1.20 H new ATOM 0 HB VAL A 9 78.706 0.852 3.167 1.00 1.13 H new ATOM 0 HG11 VAL A 9 76.921 2.385 2.381 1.00 1.83 H new ATOM 0 HG12 VAL A 9 78.068 2.016 1.071 1.00 1.83 H new ATOM 0 HG13 VAL A 9 76.477 1.218 1.113 1.00 1.83 H new ATOM 0 HG21 VAL A 9 76.428 0.673 4.130 1.00 1.52 H new ATOM 0 HG22 VAL A 9 75.984 -0.494 2.862 1.00 1.52 H new ATOM 0 HG23 VAL A 9 77.223 -0.918 4.068 1.00 1.52 H new ATOM 142 N GLU A 10 80.533 0.489 1.255 1.00 1.64 N ATOM 143 CA GLU A 10 81.619 1.050 0.400 1.00 1.94 C ATOM 144 C GLU A 10 82.265 -0.063 -0.429 1.00 1.97 C ATOM 145 O GLU A 10 82.688 0.149 -1.548 1.00 2.19 O ATOM 146 CB GLU A 10 82.630 1.646 1.380 1.00 2.23 C ATOM 147 CG GLU A 10 83.051 3.036 0.896 1.00 2.75 C ATOM 148 CD GLU A 10 84.080 2.895 -0.227 1.00 3.11 C ATOM 149 OE1 GLU A 10 83.803 2.174 -1.172 1.00 3.35 O ATOM 150 OE2 GLU A 10 85.128 3.511 -0.123 1.00 3.61 O ATOM 0 H GLU A 10 80.679 0.584 2.260 1.00 1.64 H new ATOM 0 HA GLU A 10 81.248 1.796 -0.303 1.00 1.94 H new ATOM 0 HB2 GLU A 10 82.191 1.713 2.376 1.00 2.23 H new ATOM 0 HB3 GLU A 10 83.502 0.997 1.459 1.00 2.23 H new ATOM 0 HG2 GLU A 10 82.181 3.588 0.539 1.00 2.75 H new ATOM 0 HG3 GLU A 10 83.474 3.608 1.722 1.00 2.75 H new ATOM 157 N GLN A 11 82.344 -1.248 0.112 1.00 1.87 N ATOM 158 CA GLN A 11 82.963 -2.374 -0.644 1.00 2.00 C ATOM 159 C GLN A 11 82.278 -2.540 -2.003 1.00 1.46 C ATOM 160 O GLN A 11 82.912 -2.827 -2.999 1.00 1.69 O ATOM 161 CB GLN A 11 82.734 -3.609 0.228 1.00 2.54 C ATOM 162 CG GLN A 11 84.080 -4.158 0.705 1.00 3.27 C ATOM 163 CD GLN A 11 84.177 -4.025 2.226 1.00 3.83 C ATOM 164 OE1 GLN A 11 83.796 -4.923 2.951 1.00 4.41 O ATOM 165 NE2 GLN A 11 84.676 -2.937 2.744 1.00 3.95 N ATOM 0 H GLN A 11 82.007 -1.485 1.045 1.00 1.87 H new ATOM 0 HA GLN A 11 84.022 -2.206 -0.842 1.00 2.00 H new ATOM 0 HB2 GLN A 11 82.111 -3.351 1.084 1.00 2.54 H new ATOM 0 HB3 GLN A 11 82.199 -4.372 -0.338 1.00 2.54 H new ATOM 0 HG2 GLN A 11 84.182 -5.203 0.414 1.00 3.27 H new ATOM 0 HG3 GLN A 11 84.896 -3.614 0.229 1.00 3.27 H new ATOM 0 HE21 GLN A 11 84.996 -2.183 2.136 1.00 3.95 H new ATOM 0 HE22 GLN A 11 84.746 -2.840 3.757 1.00 3.95 H new ATOM 174 N LEU A 12 80.986 -2.360 -2.052 1.00 1.14 N ATOM 175 CA LEU A 12 80.258 -2.507 -3.347 1.00 1.23 C ATOM 176 C LEU A 12 81.036 -1.823 -4.475 1.00 1.75 C ATOM 177 O LEU A 12 81.754 -0.867 -4.256 1.00 2.52 O ATOM 178 CB LEU A 12 78.915 -1.814 -3.122 1.00 1.10 C ATOM 179 CG LEU A 12 78.050 -2.671 -2.196 1.00 1.16 C ATOM 180 CD1 LEU A 12 76.858 -1.849 -1.700 1.00 1.74 C ATOM 181 CD2 LEU A 12 77.541 -3.892 -2.963 1.00 1.62 C ATOM 0 H LEU A 12 80.402 -2.117 -1.252 1.00 1.14 H new ATOM 0 HA LEU A 12 80.136 -3.550 -3.638 1.00 1.23 H new ATOM 0 HB2 LEU A 12 79.071 -0.828 -2.683 1.00 1.10 H new ATOM 0 HB3 LEU A 12 78.407 -1.662 -4.075 1.00 1.10 H new ATOM 0 HG LEU A 12 78.645 -2.997 -1.343 1.00 1.16 H new ATOM 0 HD11 LEU A 12 76.243 -2.461 -1.040 1.00 1.74 H new ATOM 0 HD12 LEU A 12 77.219 -0.977 -1.154 1.00 1.74 H new ATOM 0 HD13 LEU A 12 76.262 -1.522 -2.552 1.00 1.74 H new ATOM 0 HD21 LEU A 12 76.924 -4.504 -2.305 1.00 1.62 H new ATOM 0 HD22 LEU A 12 76.947 -3.564 -3.816 1.00 1.62 H new ATOM 0 HD23 LEU A 12 78.389 -4.479 -3.316 1.00 1.62 H new ATOM 193 N THR A 13 80.899 -2.306 -5.680 1.00 1.74 N ATOM 194 CA THR A 13 81.630 -1.684 -6.822 1.00 2.37 C ATOM 195 C THR A 13 81.072 -0.286 -7.108 1.00 2.28 C ATOM 196 O THR A 13 79.965 0.040 -6.729 1.00 1.84 O ATOM 197 CB THR A 13 81.387 -2.614 -8.015 1.00 2.87 C ATOM 198 OG1 THR A 13 80.481 -3.644 -7.641 1.00 2.80 O ATOM 199 CG2 THR A 13 82.713 -3.235 -8.458 1.00 3.47 C ATOM 0 H THR A 13 80.313 -3.104 -5.923 1.00 1.74 H new ATOM 0 HA THR A 13 82.693 -1.567 -6.612 1.00 2.37 H new ATOM 0 HB THR A 13 80.962 -2.041 -8.839 1.00 2.87 H new ATOM 0 HG1 THR A 13 80.326 -4.237 -8.406 1.00 2.80 H new ATOM 0 HG21 THR A 13 82.539 -3.897 -9.307 1.00 3.47 H new ATOM 0 HG22 THR A 13 83.405 -2.445 -8.749 1.00 3.47 H new ATOM 0 HG23 THR A 13 83.140 -3.806 -7.634 1.00 3.47 H new ATOM 207 N GLU A 14 81.832 0.543 -7.771 1.00 2.79 N ATOM 208 CA GLU A 14 81.347 1.920 -8.077 1.00 2.85 C ATOM 209 C GLU A 14 80.018 1.861 -8.835 1.00 2.54 C ATOM 210 O GLU A 14 79.070 2.542 -8.498 1.00 2.21 O ATOM 211 CB GLU A 14 82.438 2.537 -8.951 1.00 3.57 C ATOM 212 CG GLU A 14 83.113 3.682 -8.193 1.00 3.91 C ATOM 213 CD GLU A 14 84.405 3.176 -7.550 1.00 4.24 C ATOM 214 OE1 GLU A 14 85.226 2.629 -8.268 1.00 4.66 O ATOM 215 OE2 GLU A 14 84.551 3.342 -6.351 1.00 4.48 O ATOM 0 H GLU A 14 82.768 0.327 -8.114 1.00 2.79 H new ATOM 0 HA GLU A 14 81.168 2.504 -7.174 1.00 2.85 H new ATOM 0 HB2 GLU A 14 83.175 1.780 -9.219 1.00 3.57 H new ATOM 0 HB3 GLU A 14 82.007 2.907 -9.882 1.00 3.57 H new ATOM 0 HG2 GLU A 14 83.331 4.505 -8.874 1.00 3.91 H new ATOM 0 HG3 GLU A 14 82.442 4.071 -7.428 1.00 3.91 H new ATOM 222 N GLU A 15 79.941 1.054 -9.858 1.00 2.73 N ATOM 223 CA GLU A 15 78.673 0.957 -10.636 1.00 2.59 C ATOM 224 C GLU A 15 77.520 0.522 -9.725 1.00 2.19 C ATOM 225 O GLU A 15 76.398 0.961 -9.877 1.00 2.08 O ATOM 226 CB GLU A 15 78.943 -0.106 -11.701 1.00 3.01 C ATOM 227 CG GLU A 15 79.308 -1.427 -11.024 1.00 3.67 C ATOM 228 CD GLU A 15 80.115 -2.291 -11.993 1.00 4.32 C ATOM 229 OE1 GLU A 15 81.257 -1.949 -12.251 1.00 4.98 O ATOM 230 OE2 GLU A 15 79.579 -3.281 -12.463 1.00 4.51 O ATOM 0 H GLU A 15 80.700 0.458 -10.188 1.00 2.73 H new ATOM 0 HA GLU A 15 78.386 1.913 -11.075 1.00 2.59 H new ATOM 0 HB2 GLU A 15 78.062 -0.239 -12.329 1.00 3.01 H new ATOM 0 HB3 GLU A 15 79.754 0.216 -12.354 1.00 3.01 H new ATOM 0 HG2 GLU A 15 79.888 -1.237 -10.121 1.00 3.67 H new ATOM 0 HG3 GLU A 15 78.404 -1.953 -10.718 1.00 3.67 H new ATOM 237 N GLN A 16 77.788 -0.340 -8.780 1.00 2.04 N ATOM 238 CA GLN A 16 76.705 -0.802 -7.863 1.00 1.73 C ATOM 239 C GLN A 16 76.021 0.396 -7.200 1.00 1.35 C ATOM 240 O GLN A 16 74.888 0.721 -7.498 1.00 1.17 O ATOM 241 CB GLN A 16 77.414 -1.662 -6.817 1.00 1.74 C ATOM 242 CG GLN A 16 76.376 -2.327 -5.912 1.00 2.16 C ATOM 243 CD GLN A 16 76.047 -3.720 -6.454 1.00 2.30 C ATOM 244 OE1 GLN A 16 75.016 -3.919 -7.064 1.00 3.06 O ATOM 245 NE2 GLN A 16 76.890 -4.696 -6.258 1.00 2.19 N ATOM 0 H GLN A 16 78.708 -0.743 -8.604 1.00 2.04 H new ATOM 0 HA GLN A 16 75.928 -1.356 -8.389 1.00 1.73 H new ATOM 0 HB2 GLN A 16 78.023 -2.421 -7.308 1.00 1.74 H new ATOM 0 HB3 GLN A 16 78.089 -1.047 -6.222 1.00 1.74 H new ATOM 0 HG2 GLN A 16 76.759 -2.402 -4.894 1.00 2.16 H new ATOM 0 HG3 GLN A 16 75.472 -1.719 -5.868 1.00 2.16 H new ATOM 0 HE21 GLN A 16 77.756 -4.527 -5.745 1.00 2.19 H new ATOM 0 HE22 GLN A 16 76.684 -5.628 -6.617 1.00 2.19 H new ATOM 254 N LYS A 17 76.697 1.055 -6.298 1.00 1.41 N ATOM 255 CA LYS A 17 76.081 2.228 -5.614 1.00 1.21 C ATOM 256 C LYS A 17 75.622 3.266 -6.644 1.00 1.08 C ATOM 257 O LYS A 17 74.649 3.964 -6.441 1.00 0.97 O ATOM 258 CB LYS A 17 77.192 2.802 -4.731 1.00 1.52 C ATOM 259 CG LYS A 17 78.487 2.910 -5.538 1.00 2.28 C ATOM 260 CD LYS A 17 79.596 2.130 -4.830 1.00 2.64 C ATOM 261 CE LYS A 17 80.173 2.978 -3.696 1.00 2.74 C ATOM 262 NZ LYS A 17 79.124 2.968 -2.638 1.00 2.91 N ATOM 0 H LYS A 17 77.648 0.832 -6.005 1.00 1.41 H new ATOM 0 HA LYS A 17 75.201 1.950 -5.033 1.00 1.21 H new ATOM 0 HB2 LYS A 17 76.902 3.784 -4.357 1.00 1.52 H new ATOM 0 HB3 LYS A 17 77.346 2.163 -3.862 1.00 1.52 H new ATOM 0 HG2 LYS A 17 78.336 2.516 -6.543 1.00 2.28 H new ATOM 0 HG3 LYS A 17 78.775 3.956 -5.645 1.00 2.28 H new ATOM 0 HD2 LYS A 17 79.201 1.194 -4.434 1.00 2.64 H new ATOM 0 HD3 LYS A 17 80.382 1.869 -5.539 1.00 2.64 H new ATOM 0 HE2 LYS A 17 81.110 2.560 -3.327 1.00 2.74 H new ATOM 0 HE3 LYS A 17 80.387 3.993 -4.031 1.00 2.74 H new ATOM 0 HZ1 LYS A 17 79.543 3.255 -1.731 1.00 2.91 H new ATOM 0 HZ2 LYS A 17 78.366 3.632 -2.894 1.00 2.91 H new ATOM 0 HZ3 LYS A 17 78.729 2.010 -2.550 1.00 2.91 H new ATOM 276 N ASN A 18 76.312 3.372 -7.747 1.00 1.19 N ATOM 277 CA ASN A 18 75.909 4.365 -8.785 1.00 1.13 C ATOM 278 C ASN A 18 74.581 3.954 -9.426 1.00 0.92 C ATOM 279 O ASN A 18 73.794 4.785 -9.836 1.00 0.77 O ATOM 280 CB ASN A 18 77.033 4.334 -9.822 1.00 1.38 C ATOM 281 CG ASN A 18 78.043 5.441 -9.518 1.00 1.81 C ATOM 282 OD1 ASN A 18 77.720 6.611 -9.578 1.00 1.98 O ATOM 283 ND2 ASN A 18 79.266 5.119 -9.192 1.00 2.51 N ATOM 0 H ASN A 18 77.136 2.815 -7.975 1.00 1.19 H new ATOM 0 HA ASN A 18 75.766 5.361 -8.366 1.00 1.13 H new ATOM 0 HB2 ASN A 18 77.528 3.363 -9.808 1.00 1.38 H new ATOM 0 HB3 ASN A 18 76.622 4.468 -10.823 1.00 1.38 H new ATOM 0 HD21 ASN A 18 79.949 5.849 -8.988 1.00 2.51 H new ATOM 0 HD22 ASN A 18 79.539 4.137 -9.141 1.00 2.51 H new ATOM 290 N GLU A 19 74.327 2.677 -9.520 1.00 1.02 N ATOM 291 CA GLU A 19 73.053 2.210 -10.139 1.00 0.98 C ATOM 292 C GLU A 19 71.865 2.524 -9.225 1.00 0.83 C ATOM 293 O GLU A 19 70.830 2.979 -9.672 1.00 0.82 O ATOM 294 CB GLU A 19 73.222 0.700 -10.292 1.00 1.25 C ATOM 295 CG GLU A 19 73.214 0.332 -11.778 1.00 1.54 C ATOM 296 CD GLU A 19 71.813 0.558 -12.351 1.00 2.01 C ATOM 297 OE1 GLU A 19 71.524 1.680 -12.732 1.00 2.48 O ATOM 298 OE2 GLU A 19 71.053 -0.396 -12.399 1.00 2.60 O ATOM 0 H GLU A 19 74.947 1.936 -9.194 1.00 1.02 H new ATOM 0 HA GLU A 19 72.855 2.702 -11.092 1.00 0.98 H new ATOM 0 HB2 GLU A 19 74.157 0.380 -9.832 1.00 1.25 H new ATOM 0 HB3 GLU A 19 72.417 0.179 -9.773 1.00 1.25 H new ATOM 0 HG2 GLU A 19 73.942 0.938 -12.318 1.00 1.54 H new ATOM 0 HG3 GLU A 19 73.508 -0.710 -11.907 1.00 1.54 H new ATOM 305 N PHE A 20 72.000 2.277 -7.951 1.00 0.83 N ATOM 306 CA PHE A 20 70.874 2.555 -7.013 1.00 0.78 C ATOM 307 C PHE A 20 70.580 4.057 -6.952 1.00 0.69 C ATOM 308 O PHE A 20 69.504 4.471 -6.570 1.00 0.74 O ATOM 309 CB PHE A 20 71.359 2.053 -5.653 1.00 0.94 C ATOM 310 CG PHE A 20 71.491 0.549 -5.688 1.00 1.20 C ATOM 311 CD1 PHE A 20 70.460 -0.232 -6.225 1.00 1.96 C ATOM 312 CD2 PHE A 20 72.643 -0.064 -5.183 1.00 2.07 C ATOM 313 CE1 PHE A 20 70.584 -1.627 -6.256 1.00 2.88 C ATOM 314 CE2 PHE A 20 72.766 -1.457 -5.214 1.00 2.93 C ATOM 315 CZ PHE A 20 71.737 -2.239 -5.751 1.00 3.19 C ATOM 0 H PHE A 20 72.841 1.895 -7.518 1.00 0.83 H new ATOM 0 HA PHE A 20 69.952 2.067 -7.328 1.00 0.78 H new ATOM 0 HB2 PHE A 20 72.319 2.507 -5.407 1.00 0.94 H new ATOM 0 HB3 PHE A 20 70.657 2.349 -4.873 1.00 0.94 H new ATOM 0 HD1 PHE A 20 69.571 0.241 -6.615 1.00 1.96 H new ATOM 0 HD2 PHE A 20 73.438 0.539 -4.769 1.00 2.07 H new ATOM 0 HE1 PHE A 20 69.790 -2.230 -6.670 1.00 2.88 H new ATOM 0 HE2 PHE A 20 73.655 -1.929 -4.823 1.00 2.93 H new ATOM 0 HZ PHE A 20 71.833 -3.314 -5.776 1.00 3.19 H new ATOM 325 N LYS A 21 71.526 4.876 -7.320 1.00 0.73 N ATOM 326 CA LYS A 21 71.292 6.348 -7.274 1.00 0.83 C ATOM 327 C LYS A 21 70.217 6.753 -8.287 1.00 0.81 C ATOM 328 O LYS A 21 69.273 7.445 -7.959 1.00 0.97 O ATOM 329 CB LYS A 21 72.637 6.976 -7.639 1.00 1.00 C ATOM 330 CG LYS A 21 72.737 8.366 -7.009 1.00 1.37 C ATOM 331 CD LYS A 21 74.203 8.691 -6.719 1.00 1.81 C ATOM 332 CE LYS A 21 74.535 10.085 -7.257 1.00 2.52 C ATOM 333 NZ LYS A 21 73.743 11.022 -6.412 1.00 3.32 N ATOM 0 H LYS A 21 72.448 4.592 -7.650 1.00 0.73 H new ATOM 0 HA LYS A 21 70.940 6.676 -6.296 1.00 0.83 H new ATOM 0 HB2 LYS A 21 73.453 6.345 -7.286 1.00 1.00 H new ATOM 0 HB3 LYS A 21 72.735 7.048 -8.722 1.00 1.00 H new ATOM 0 HG2 LYS A 21 72.314 9.113 -7.681 1.00 1.37 H new ATOM 0 HG3 LYS A 21 72.156 8.402 -6.087 1.00 1.37 H new ATOM 0 HD2 LYS A 21 74.390 8.650 -5.646 1.00 1.81 H new ATOM 0 HD3 LYS A 21 74.850 7.947 -7.184 1.00 1.81 H new ATOM 0 HE2 LYS A 21 75.602 10.293 -7.183 1.00 2.52 H new ATOM 0 HE3 LYS A 21 74.264 10.177 -8.309 1.00 2.52 H new ATOM 0 HZ1 LYS A 21 74.142 11.979 -6.488 1.00 3.32 H new ATOM 0 HZ2 LYS A 21 72.755 11.032 -6.737 1.00 3.32 H new ATOM 0 HZ3 LYS A 21 73.778 10.710 -5.421 1.00 3.32 H new ATOM 347 N ALA A 22 70.352 6.332 -9.515 1.00 0.78 N ATOM 348 CA ALA A 22 69.336 6.700 -10.544 1.00 0.87 C ATOM 349 C ALA A 22 67.940 6.268 -10.090 1.00 0.81 C ATOM 350 O ALA A 22 67.042 7.076 -9.960 1.00 0.83 O ATOM 351 CB ALA A 22 69.753 5.941 -11.804 1.00 0.97 C ATOM 0 H ALA A 22 71.120 5.750 -9.851 1.00 0.78 H new ATOM 0 HA ALA A 22 69.293 7.776 -10.714 1.00 0.87 H new ATOM 0 HB1 ALA A 22 69.052 6.160 -12.610 1.00 0.97 H new ATOM 0 HB2 ALA A 22 70.755 6.251 -12.101 1.00 0.97 H new ATOM 0 HB3 ALA A 22 69.749 4.870 -11.602 1.00 0.97 H new ATOM 357 N ALA A 23 67.750 5.000 -9.844 1.00 0.80 N ATOM 358 CA ALA A 23 66.410 4.522 -9.396 1.00 0.81 C ATOM 359 C ALA A 23 66.045 5.174 -8.061 1.00 0.74 C ATOM 360 O ALA A 23 64.913 5.549 -7.830 1.00 0.77 O ATOM 361 CB ALA A 23 66.564 3.010 -9.232 1.00 0.89 C ATOM 0 H ALA A 23 68.463 4.276 -9.933 1.00 0.80 H new ATOM 0 HA ALA A 23 65.619 4.774 -10.103 1.00 0.81 H new ATOM 0 HB1 ALA A 23 65.617 2.581 -8.903 1.00 0.89 H new ATOM 0 HB2 ALA A 23 66.850 2.568 -10.186 1.00 0.89 H new ATOM 0 HB3 ALA A 23 67.334 2.801 -8.490 1.00 0.89 H new ATOM 367 N PHE A 24 66.998 5.314 -7.183 1.00 0.71 N ATOM 368 CA PHE A 24 66.711 5.946 -5.864 1.00 0.72 C ATOM 369 C PHE A 24 65.950 7.259 -6.067 1.00 0.71 C ATOM 370 O PHE A 24 65.043 7.584 -5.328 1.00 0.73 O ATOM 371 CB PHE A 24 68.088 6.208 -5.249 1.00 0.82 C ATOM 372 CG PHE A 24 67.956 7.165 -4.089 1.00 1.04 C ATOM 373 CD1 PHE A 24 67.752 8.529 -4.326 1.00 1.51 C ATOM 374 CD2 PHE A 24 68.043 6.687 -2.777 1.00 1.81 C ATOM 375 CE1 PHE A 24 67.634 9.416 -3.248 1.00 1.88 C ATOM 376 CE2 PHE A 24 67.923 7.572 -1.700 1.00 2.09 C ATOM 377 CZ PHE A 24 67.720 8.937 -1.935 1.00 1.85 C ATOM 0 H PHE A 24 67.964 5.018 -7.321 1.00 0.71 H new ATOM 0 HA PHE A 24 66.092 5.317 -5.224 1.00 0.72 H new ATOM 0 HB2 PHE A 24 68.530 5.271 -4.911 1.00 0.82 H new ATOM 0 HB3 PHE A 24 68.759 6.624 -6.001 1.00 0.82 H new ATOM 0 HD1 PHE A 24 67.686 8.898 -5.339 1.00 1.51 H new ATOM 0 HD2 PHE A 24 68.203 5.634 -2.595 1.00 1.81 H new ATOM 0 HE1 PHE A 24 67.477 10.469 -3.430 1.00 1.88 H new ATOM 0 HE2 PHE A 24 67.987 7.202 -0.687 1.00 2.09 H new ATOM 0 HZ PHE A 24 67.630 9.621 -1.104 1.00 1.85 H new ATOM 387 N ASP A 25 66.316 8.015 -7.066 1.00 0.81 N ATOM 388 CA ASP A 25 65.620 9.309 -7.323 1.00 0.97 C ATOM 389 C ASP A 25 64.209 9.066 -7.873 1.00 1.04 C ATOM 390 O ASP A 25 63.378 9.953 -7.882 1.00 1.23 O ATOM 391 CB ASP A 25 66.485 10.020 -8.365 1.00 1.18 C ATOM 392 CG ASP A 25 67.536 10.877 -7.659 1.00 1.57 C ATOM 393 OD1 ASP A 25 68.251 10.339 -6.828 1.00 1.98 O ATOM 394 OD2 ASP A 25 67.611 12.057 -7.960 1.00 2.18 O ATOM 0 H ASP A 25 67.069 7.792 -7.717 1.00 0.81 H new ATOM 0 HA ASP A 25 65.502 9.898 -6.413 1.00 0.97 H new ATOM 0 HB2 ASP A 25 66.971 9.288 -9.010 1.00 1.18 H new ATOM 0 HB3 ASP A 25 65.862 10.644 -9.005 1.00 1.18 H new ATOM 399 N ILE A 26 63.932 7.879 -8.341 1.00 0.99 N ATOM 400 CA ILE A 26 62.577 7.599 -8.898 1.00 1.18 C ATOM 401 C ILE A 26 61.559 7.377 -7.773 1.00 1.09 C ATOM 402 O ILE A 26 60.422 7.794 -7.865 1.00 1.23 O ATOM 403 CB ILE A 26 62.743 6.328 -9.724 1.00 1.38 C ATOM 404 CG1 ILE A 26 63.727 6.604 -10.871 1.00 1.55 C ATOM 405 CG2 ILE A 26 61.380 5.919 -10.287 1.00 1.60 C ATOM 406 CD1 ILE A 26 63.509 5.601 -12.008 1.00 1.61 C ATOM 0 H ILE A 26 64.582 7.094 -8.362 1.00 0.99 H new ATOM 0 HA ILE A 26 62.205 8.432 -9.494 1.00 1.18 H new ATOM 0 HB ILE A 26 63.132 5.520 -9.104 1.00 1.38 H new ATOM 0 HG12 ILE A 26 63.590 7.620 -11.241 1.00 1.55 H new ATOM 0 HG13 ILE A 26 64.752 6.534 -10.506 1.00 1.55 H new ATOM 0 HG21 ILE A 26 61.489 5.011 -10.879 1.00 1.60 H new ATOM 0 HG22 ILE A 26 60.687 5.736 -9.466 1.00 1.60 H new ATOM 0 HG23 ILE A 26 60.992 6.719 -10.917 1.00 1.60 H new ATOM 0 HD11 ILE A 26 64.212 5.807 -12.815 1.00 1.61 H new ATOM 0 HD12 ILE A 26 63.670 4.589 -11.636 1.00 1.61 H new ATOM 0 HD13 ILE A 26 62.490 5.692 -12.383 1.00 1.61 H new ATOM 418 N PHE A 27 61.952 6.722 -6.715 1.00 0.94 N ATOM 419 CA PHE A 27 60.998 6.475 -5.596 1.00 0.95 C ATOM 420 C PHE A 27 60.691 7.786 -4.866 1.00 0.79 C ATOM 421 O PHE A 27 59.589 8.006 -4.403 1.00 0.87 O ATOM 422 CB PHE A 27 61.720 5.499 -4.666 1.00 1.05 C ATOM 423 CG PHE A 27 62.387 4.419 -5.486 1.00 1.28 C ATOM 424 CD1 PHE A 27 61.617 3.585 -6.305 1.00 1.97 C ATOM 425 CD2 PHE A 27 63.777 4.258 -5.432 1.00 1.67 C ATOM 426 CE1 PHE A 27 62.236 2.589 -7.069 1.00 2.24 C ATOM 427 CE2 PHE A 27 64.396 3.261 -6.196 1.00 1.91 C ATOM 428 CZ PHE A 27 63.626 2.426 -7.015 1.00 1.91 C ATOM 0 H PHE A 27 62.891 6.348 -6.577 1.00 0.94 H new ATOM 0 HA PHE A 27 60.046 6.075 -5.945 1.00 0.95 H new ATOM 0 HB2 PHE A 27 62.463 6.030 -4.071 1.00 1.05 H new ATOM 0 HB3 PHE A 27 61.011 5.054 -3.968 1.00 1.05 H new ATOM 0 HD1 PHE A 27 60.545 3.710 -6.347 1.00 1.97 H new ATOM 0 HD2 PHE A 27 64.371 4.903 -4.801 1.00 1.67 H new ATOM 0 HE1 PHE A 27 61.641 1.946 -7.701 1.00 2.24 H new ATOM 0 HE2 PHE A 27 65.468 3.136 -6.154 1.00 1.91 H new ATOM 0 HZ PHE A 27 64.103 1.657 -7.604 1.00 1.91 H new ATOM 438 N VAL A 28 61.657 8.657 -4.760 1.00 0.76 N ATOM 439 CA VAL A 28 61.424 9.950 -4.062 1.00 0.78 C ATOM 440 C VAL A 28 60.764 10.954 -5.012 1.00 0.97 C ATOM 441 O VAL A 28 60.537 12.095 -4.664 1.00 1.39 O ATOM 442 CB VAL A 28 62.818 10.425 -3.660 1.00 0.77 C ATOM 443 CG1 VAL A 28 63.496 9.352 -2.808 1.00 1.33 C ATOM 444 CG2 VAL A 28 63.652 10.677 -4.918 1.00 1.34 C ATOM 0 H VAL A 28 62.599 8.527 -5.128 1.00 0.76 H new ATOM 0 HA VAL A 28 60.760 9.849 -3.204 1.00 0.78 H new ATOM 0 HB VAL A 28 62.736 11.348 -3.086 1.00 0.77 H new ATOM 0 HG11 VAL A 28 64.491 9.691 -2.521 1.00 1.33 H new ATOM 0 HG12 VAL A 28 62.902 9.170 -1.912 1.00 1.33 H new ATOM 0 HG13 VAL A 28 63.578 8.429 -3.383 1.00 1.33 H new ATOM 0 HG21 VAL A 28 64.648 11.016 -4.632 1.00 1.34 H new ATOM 0 HG22 VAL A 28 63.734 9.754 -5.491 1.00 1.34 H new ATOM 0 HG23 VAL A 28 63.169 11.441 -5.528 1.00 1.34 H new ATOM 454 N LEU A 29 60.452 10.537 -6.210 1.00 1.11 N ATOM 455 CA LEU A 29 59.806 11.469 -7.179 1.00 1.39 C ATOM 456 C LEU A 29 58.636 12.198 -6.514 1.00 1.56 C ATOM 457 O LEU A 29 58.383 13.357 -6.778 1.00 1.98 O ATOM 458 CB LEU A 29 59.303 10.574 -8.314 1.00 1.45 C ATOM 459 CG LEU A 29 60.325 10.568 -9.450 1.00 1.71 C ATOM 460 CD1 LEU A 29 60.042 9.388 -10.383 1.00 2.28 C ATOM 461 CD2 LEU A 29 60.218 11.876 -10.238 1.00 2.41 C ATOM 0 H LEU A 29 60.616 9.593 -6.559 1.00 1.11 H new ATOM 0 HA LEU A 29 60.495 12.234 -7.536 1.00 1.39 H new ATOM 0 HB2 LEU A 29 59.144 9.560 -7.948 1.00 1.45 H new ATOM 0 HB3 LEU A 29 58.341 10.936 -8.678 1.00 1.45 H new ATOM 0 HG LEU A 29 61.329 10.473 -9.036 1.00 1.71 H new ATOM 0 HD11 LEU A 29 60.770 9.383 -11.194 1.00 2.28 H new ATOM 0 HD12 LEU A 29 60.115 8.456 -9.823 1.00 2.28 H new ATOM 0 HD13 LEU A 29 59.038 9.484 -10.797 1.00 2.28 H new ATOM 0 HD21 LEU A 29 60.947 11.873 -11.049 1.00 2.41 H new ATOM 0 HD22 LEU A 29 59.214 11.970 -10.653 1.00 2.41 H new ATOM 0 HD23 LEU A 29 60.417 12.718 -9.575 1.00 2.41 H new ATOM 473 N GLY A 30 57.923 11.529 -5.651 1.00 1.92 N ATOM 474 CA GLY A 30 56.772 12.184 -4.969 1.00 2.16 C ATOM 475 C GLY A 30 57.083 12.338 -3.480 1.00 1.95 C ATOM 476 O GLY A 30 56.200 12.517 -2.665 1.00 2.01 O ATOM 0 H GLY A 30 58.088 10.557 -5.389 1.00 1.92 H new ATOM 0 HA2 GLY A 30 56.579 13.160 -5.414 1.00 2.16 H new ATOM 0 HA3 GLY A 30 55.869 11.588 -5.103 1.00 2.16 H new ATOM 480 N ALA A 31 58.335 12.269 -3.116 1.00 1.94 N ATOM 481 CA ALA A 31 58.705 12.411 -1.679 1.00 1.87 C ATOM 482 C ALA A 31 58.461 13.847 -1.207 1.00 2.03 C ATOM 483 O ALA A 31 57.896 14.655 -1.915 1.00 2.28 O ATOM 484 CB ALA A 31 60.194 12.070 -1.617 1.00 1.50 C ATOM 0 H ALA A 31 59.118 12.120 -3.752 1.00 1.94 H new ATOM 0 HA ALA A 31 58.112 11.762 -1.035 1.00 1.87 H new ATOM 0 HB1 ALA A 31 60.543 12.152 -0.588 1.00 1.50 H new ATOM 0 HB2 ALA A 31 60.349 11.052 -1.973 1.00 1.50 H new ATOM 0 HB3 ALA A 31 60.753 12.763 -2.246 1.00 1.50 H new ATOM 490 N GLU A 32 58.885 14.170 -0.016 1.00 2.22 N ATOM 491 CA GLU A 32 58.677 15.554 0.499 1.00 2.52 C ATOM 492 C GLU A 32 60.022 16.269 0.650 1.00 2.19 C ATOM 493 O GLU A 32 60.118 17.471 0.494 1.00 2.44 O ATOM 494 CB GLU A 32 58.009 15.371 1.862 1.00 3.02 C ATOM 495 CG GLU A 32 56.753 14.512 1.703 1.00 3.65 C ATOM 496 CD GLU A 32 56.196 14.159 3.084 1.00 4.03 C ATOM 497 OE1 GLU A 32 56.848 13.407 3.789 1.00 4.34 O ATOM 498 OE2 GLU A 32 55.127 14.646 3.412 1.00 4.40 O ATOM 0 H GLU A 32 59.366 13.537 0.623 1.00 2.22 H new ATOM 0 HA GLU A 32 58.070 16.160 -0.174 1.00 2.52 H new ATOM 0 HB2 GLU A 32 58.701 14.897 2.558 1.00 3.02 H new ATOM 0 HB3 GLU A 32 57.748 16.341 2.284 1.00 3.02 H new ATOM 0 HG2 GLU A 32 56.003 15.050 1.124 1.00 3.65 H new ATOM 0 HG3 GLU A 32 56.990 13.602 1.151 1.00 3.65 H new ATOM 505 N ASP A 33 61.061 15.540 0.953 1.00 1.88 N ATOM 506 CA ASP A 33 62.400 16.179 1.114 1.00 1.82 C ATOM 507 C ASP A 33 63.451 15.421 0.298 1.00 1.49 C ATOM 508 O ASP A 33 64.629 15.703 0.372 1.00 1.70 O ATOM 509 CB ASP A 33 62.717 16.091 2.611 1.00 2.02 C ATOM 510 CG ASP A 33 62.264 14.736 3.162 1.00 2.43 C ATOM 511 OD1 ASP A 33 62.973 13.766 2.955 1.00 2.79 O ATOM 512 OD2 ASP A 33 61.212 14.693 3.781 1.00 2.98 O ATOM 0 H ASP A 33 61.042 14.530 1.096 1.00 1.88 H new ATOM 0 HA ASP A 33 62.404 17.210 0.761 1.00 1.82 H new ATOM 0 HB2 ASP A 33 63.787 16.220 2.773 1.00 2.02 H new ATOM 0 HB3 ASP A 33 62.215 16.897 3.146 1.00 2.02 H new ATOM 517 N GLY A 34 63.032 14.462 -0.481 1.00 1.25 N ATOM 518 CA GLY A 34 64.009 13.692 -1.302 1.00 1.06 C ATOM 519 C GLY A 34 64.394 12.403 -0.572 1.00 0.97 C ATOM 520 O GLY A 34 65.546 12.174 -0.262 1.00 1.19 O ATOM 0 H GLY A 34 62.058 14.179 -0.585 1.00 1.25 H new ATOM 0 HA2 GLY A 34 63.575 13.455 -2.274 1.00 1.06 H new ATOM 0 HA3 GLY A 34 64.898 14.295 -1.488 1.00 1.06 H new ATOM 524 N CYS A 35 63.439 11.556 -0.296 1.00 0.83 N ATOM 525 CA CYS A 35 63.755 10.281 0.412 1.00 0.79 C ATOM 526 C CYS A 35 62.805 9.171 -0.049 1.00 0.72 C ATOM 527 O CYS A 35 61.702 9.428 -0.490 1.00 0.75 O ATOM 528 CB CYS A 35 63.542 10.584 1.896 1.00 0.83 C ATOM 529 SG CYS A 35 64.976 11.478 2.543 1.00 1.87 S ATOM 0 H CYS A 35 62.455 11.691 -0.530 1.00 0.83 H new ATOM 0 HA CYS A 35 64.770 9.938 0.208 1.00 0.79 H new ATOM 0 HB2 CYS A 35 62.639 11.179 2.030 1.00 0.83 H new ATOM 0 HB3 CYS A 35 63.398 9.656 2.450 1.00 0.83 H new ATOM 0 HG CYS A 35 65.662 11.970 1.555 1.00 1.87 H new ATOM 535 N ILE A 36 63.222 7.938 0.057 1.00 0.68 N ATOM 536 CA ILE A 36 62.338 6.814 -0.370 1.00 0.69 C ATOM 537 C ILE A 36 61.630 6.227 0.856 1.00 0.78 C ATOM 538 O ILE A 36 62.161 5.377 1.544 1.00 0.91 O ATOM 539 CB ILE A 36 63.265 5.773 -1.012 1.00 0.66 C ATOM 540 CG1 ILE A 36 64.388 6.469 -1.790 1.00 0.65 C ATOM 541 CG2 ILE A 36 62.459 4.903 -1.979 1.00 0.65 C ATOM 542 CD1 ILE A 36 65.393 5.423 -2.275 1.00 0.76 C ATOM 0 H ILE A 36 64.134 7.660 0.420 1.00 0.68 H new ATOM 0 HA ILE A 36 61.568 7.137 -1.070 1.00 0.69 H new ATOM 0 HB ILE A 36 63.700 5.157 -0.225 1.00 0.66 H new ATOM 0 HG12 ILE A 36 63.974 7.013 -2.639 1.00 0.65 H new ATOM 0 HG13 ILE A 36 64.886 7.201 -1.154 1.00 0.65 H new ATOM 0 HG21 ILE A 36 63.116 4.163 -2.436 1.00 0.65 H new ATOM 0 HG22 ILE A 36 61.663 4.395 -1.434 1.00 0.65 H new ATOM 0 HG23 ILE A 36 62.023 5.531 -2.756 1.00 0.65 H new ATOM 0 HD11 ILE A 36 66.192 5.916 -2.828 1.00 0.76 H new ATOM 0 HD12 ILE A 36 65.815 4.899 -1.418 1.00 0.76 H new ATOM 0 HD13 ILE A 36 64.889 4.708 -2.925 1.00 0.76 H new ATOM 554 N SER A 37 60.441 6.684 1.138 1.00 0.79 N ATOM 555 CA SER A 37 59.700 6.167 2.325 1.00 0.91 C ATOM 556 C SER A 37 59.446 4.663 2.190 1.00 0.85 C ATOM 557 O SER A 37 59.604 4.088 1.131 1.00 0.92 O ATOM 558 CB SER A 37 58.380 6.941 2.329 1.00 1.09 C ATOM 559 OG SER A 37 57.295 6.030 2.455 1.00 1.94 O ATOM 0 H SER A 37 59.949 7.395 0.597 1.00 0.79 H new ATOM 0 HA SER A 37 60.259 6.303 3.251 1.00 0.91 H new ATOM 0 HB2 SER A 37 58.367 7.654 3.153 1.00 1.09 H new ATOM 0 HB3 SER A 37 58.281 7.516 1.408 1.00 1.09 H new ATOM 0 HG SER A 37 56.450 6.526 2.459 1.00 1.94 H new ATOM 565 N THR A 38 59.054 4.023 3.259 1.00 0.88 N ATOM 566 CA THR A 38 58.790 2.557 3.199 1.00 1.02 C ATOM 567 C THR A 38 57.592 2.271 2.291 1.00 1.13 C ATOM 568 O THR A 38 57.588 1.320 1.534 1.00 1.48 O ATOM 569 CB THR A 38 58.481 2.148 4.639 1.00 1.12 C ATOM 570 OG1 THR A 38 58.297 0.740 4.701 1.00 1.47 O ATOM 571 CG2 THR A 38 57.208 2.852 5.104 1.00 1.25 C ATOM 0 H THR A 38 58.905 4.453 4.172 1.00 0.88 H new ATOM 0 HA THR A 38 59.636 2.003 2.792 1.00 1.02 H new ATOM 0 HB THR A 38 59.310 2.434 5.286 1.00 1.12 H new ATOM 0 HG1 THR A 38 58.100 0.476 5.624 1.00 1.47 H new ATOM 0 HG21 THR A 38 56.986 2.562 6.131 1.00 1.25 H new ATOM 0 HG22 THR A 38 57.351 3.932 5.055 1.00 1.25 H new ATOM 0 HG23 THR A 38 56.378 2.566 4.458 1.00 1.25 H new ATOM 579 N LYS A 39 56.576 3.086 2.358 1.00 1.09 N ATOM 580 CA LYS A 39 55.380 2.860 1.497 1.00 1.33 C ATOM 581 C LYS A 39 55.814 2.563 0.058 1.00 1.20 C ATOM 582 O LYS A 39 55.158 1.834 -0.660 1.00 1.45 O ATOM 583 CB LYS A 39 54.594 4.169 1.557 1.00 1.57 C ATOM 584 CG LYS A 39 53.963 4.325 2.942 1.00 2.27 C ATOM 585 CD LYS A 39 52.717 3.443 3.037 1.00 2.86 C ATOM 586 CE LYS A 39 52.713 2.706 4.378 1.00 3.52 C ATOM 587 NZ LYS A 39 51.543 1.788 4.310 1.00 4.37 N ATOM 0 H LYS A 39 56.522 3.899 2.972 1.00 1.09 H new ATOM 0 HA LYS A 39 54.785 2.011 1.833 1.00 1.33 H new ATOM 0 HB2 LYS A 39 55.254 5.011 1.350 1.00 1.57 H new ATOM 0 HB3 LYS A 39 53.819 4.175 0.790 1.00 1.57 H new ATOM 0 HG2 LYS A 39 54.680 4.044 3.714 1.00 2.27 H new ATOM 0 HG3 LYS A 39 53.698 5.368 3.117 1.00 2.27 H new ATOM 0 HD2 LYS A 39 51.819 4.053 2.943 1.00 2.86 H new ATOM 0 HD3 LYS A 39 52.703 2.726 2.216 1.00 2.86 H new ATOM 0 HE2 LYS A 39 53.640 2.153 4.527 1.00 3.52 H new ATOM 0 HE3 LYS A 39 52.620 3.403 5.211 1.00 3.52 H new ATOM 0 HZ1 LYS A 39 51.474 1.247 5.196 1.00 4.37 H new ATOM 0 HZ2 LYS A 39 50.674 2.343 4.175 1.00 4.37 H new ATOM 0 HZ3 LYS A 39 51.663 1.132 3.512 1.00 4.37 H new ATOM 601 N GLU A 40 56.912 3.125 -0.368 1.00 0.96 N ATOM 602 CA GLU A 40 57.384 2.877 -1.760 1.00 0.95 C ATOM 603 C GLU A 40 58.465 1.794 -1.771 1.00 0.84 C ATOM 604 O GLU A 40 58.787 1.237 -2.802 1.00 0.95 O ATOM 605 CB GLU A 40 57.959 4.214 -2.226 1.00 1.08 C ATOM 606 CG GLU A 40 57.373 4.577 -3.591 1.00 1.33 C ATOM 607 CD GLU A 40 56.933 6.042 -3.585 1.00 1.85 C ATOM 608 OE1 GLU A 40 56.527 6.513 -2.535 1.00 1.99 O ATOM 609 OE2 GLU A 40 57.008 6.668 -4.629 1.00 2.70 O ATOM 0 H GLU A 40 57.502 3.745 0.187 1.00 0.96 H new ATOM 0 HA GLU A 40 56.582 2.528 -2.411 1.00 0.95 H new ATOM 0 HB2 GLU A 40 57.727 4.994 -1.500 1.00 1.08 H new ATOM 0 HB3 GLU A 40 59.045 4.151 -2.290 1.00 1.08 H new ATOM 0 HG2 GLU A 40 58.115 4.412 -4.372 1.00 1.33 H new ATOM 0 HG3 GLU A 40 56.524 3.932 -3.817 1.00 1.33 H new ATOM 616 N LEU A 41 59.029 1.490 -0.635 1.00 0.81 N ATOM 617 CA LEU A 41 60.088 0.442 -0.591 1.00 0.75 C ATOM 618 C LEU A 41 59.645 -0.781 -1.397 1.00 0.77 C ATOM 619 O LEU A 41 60.277 -1.161 -2.364 1.00 0.77 O ATOM 620 CB LEU A 41 60.239 0.086 0.889 1.00 0.82 C ATOM 621 CG LEU A 41 61.469 -0.803 1.075 1.00 0.89 C ATOM 622 CD1 LEU A 41 61.196 -2.187 0.483 1.00 1.10 C ATOM 623 CD2 LEU A 41 62.665 -0.171 0.357 1.00 1.20 C ATOM 0 H LEU A 41 58.804 1.920 0.262 1.00 0.81 H new ATOM 0 HA LEU A 41 61.029 0.785 -1.020 1.00 0.75 H new ATOM 0 HB2 LEU A 41 60.339 0.994 1.484 1.00 0.82 H new ATOM 0 HB3 LEU A 41 59.347 -0.430 1.243 1.00 0.82 H new ATOM 0 HG LEU A 41 61.689 -0.900 2.138 1.00 0.89 H new ATOM 0 HD11 LEU A 41 62.074 -2.819 0.616 1.00 1.10 H new ATOM 0 HD12 LEU A 41 60.343 -2.638 0.990 1.00 1.10 H new ATOM 0 HD13 LEU A 41 60.976 -2.091 -0.580 1.00 1.10 H new ATOM 0 HD21 LEU A 41 63.543 -0.803 0.488 1.00 1.20 H new ATOM 0 HD22 LEU A 41 62.442 -0.075 -0.706 1.00 1.20 H new ATOM 0 HD23 LEU A 41 62.862 0.815 0.777 1.00 1.20 H new ATOM 635 N GLY A 42 58.560 -1.397 -1.013 1.00 0.88 N ATOM 636 CA GLY A 42 58.078 -2.589 -1.765 1.00 1.02 C ATOM 637 C GLY A 42 58.100 -2.278 -3.261 1.00 0.99 C ATOM 638 O GLY A 42 58.626 -3.033 -4.055 1.00 1.11 O ATOM 0 H GLY A 42 57.988 -1.127 -0.213 1.00 0.88 H new ATOM 0 HA2 GLY A 42 58.711 -3.450 -1.551 1.00 1.02 H new ATOM 0 HA3 GLY A 42 57.068 -2.849 -1.450 1.00 1.02 H new ATOM 642 N LYS A 43 57.540 -1.166 -3.653 1.00 0.91 N ATOM 643 CA LYS A 43 57.540 -0.803 -5.098 1.00 1.00 C ATOM 644 C LYS A 43 58.980 -0.636 -5.584 1.00 0.84 C ATOM 645 O LYS A 43 59.314 -0.972 -6.702 1.00 0.89 O ATOM 646 CB LYS A 43 56.787 0.525 -5.175 1.00 1.12 C ATOM 647 CG LYS A 43 55.345 0.269 -5.618 1.00 1.32 C ATOM 648 CD LYS A 43 55.160 0.749 -7.059 1.00 1.85 C ATOM 649 CE LYS A 43 53.736 0.432 -7.523 1.00 2.24 C ATOM 650 NZ LYS A 43 53.756 -1.018 -7.857 1.00 2.80 N ATOM 0 H LYS A 43 57.083 -0.494 -3.036 1.00 0.91 H new ATOM 0 HA LYS A 43 57.074 -1.565 -5.722 1.00 1.00 H new ATOM 0 HB2 LYS A 43 56.798 1.018 -4.203 1.00 1.12 H new ATOM 0 HB3 LYS A 43 57.281 1.195 -5.878 1.00 1.12 H new ATOM 0 HG2 LYS A 43 55.114 -0.794 -5.545 1.00 1.32 H new ATOM 0 HG3 LYS A 43 54.653 0.791 -4.958 1.00 1.32 H new ATOM 0 HD2 LYS A 43 55.345 1.821 -7.123 1.00 1.85 H new ATOM 0 HD3 LYS A 43 55.884 0.261 -7.712 1.00 1.85 H new ATOM 0 HE2 LYS A 43 53.008 0.647 -6.740 1.00 2.24 H new ATOM 0 HE3 LYS A 43 53.460 1.033 -8.389 1.00 2.24 H new ATOM 0 HZ1 LYS A 43 53.522 -1.146 -8.862 1.00 2.80 H new ATOM 0 HZ2 LYS A 43 54.703 -1.404 -7.670 1.00 2.80 H new ATOM 0 HZ3 LYS A 43 53.056 -1.519 -7.273 1.00 2.80 H new ATOM 664 N VAL A 44 59.839 -0.125 -4.743 1.00 0.75 N ATOM 665 CA VAL A 44 61.260 0.058 -5.146 1.00 0.68 C ATOM 666 C VAL A 44 61.893 -1.306 -5.432 1.00 0.68 C ATOM 667 O VAL A 44 62.429 -1.543 -6.496 1.00 0.76 O ATOM 668 CB VAL A 44 61.928 0.722 -3.944 1.00 0.72 C ATOM 669 CG1 VAL A 44 63.409 0.956 -4.246 1.00 1.10 C ATOM 670 CG2 VAL A 44 61.248 2.064 -3.663 1.00 1.70 C ATOM 0 H VAL A 44 59.616 0.173 -3.793 1.00 0.75 H new ATOM 0 HA VAL A 44 61.368 0.659 -6.049 1.00 0.68 H new ATOM 0 HB VAL A 44 61.834 0.074 -3.072 1.00 0.72 H new ATOM 0 HG11 VAL A 44 63.885 1.430 -3.388 1.00 1.10 H new ATOM 0 HG12 VAL A 44 63.894 0.001 -4.449 1.00 1.10 H new ATOM 0 HG13 VAL A 44 63.505 1.604 -5.117 1.00 1.10 H new ATOM 0 HG21 VAL A 44 61.723 2.540 -2.805 1.00 1.70 H new ATOM 0 HG22 VAL A 44 61.344 2.710 -4.536 1.00 1.70 H new ATOM 0 HG23 VAL A 44 60.192 1.899 -3.448 1.00 1.70 H new ATOM 680 N MET A 45 61.823 -2.209 -4.492 1.00 0.79 N ATOM 681 CA MET A 45 62.407 -3.561 -4.716 1.00 0.99 C ATOM 682 C MET A 45 61.576 -4.310 -5.760 1.00 1.03 C ATOM 683 O MET A 45 61.985 -5.326 -6.286 1.00 1.16 O ATOM 684 CB MET A 45 62.326 -4.259 -3.358 1.00 1.26 C ATOM 685 CG MET A 45 63.368 -3.657 -2.412 1.00 1.54 C ATOM 686 SD MET A 45 64.566 -4.931 -1.940 1.00 2.11 S ATOM 687 CE MET A 45 65.949 -4.320 -2.933 1.00 1.74 C ATOM 0 H MET A 45 61.387 -2.069 -3.580 1.00 0.79 H new ATOM 0 HA MET A 45 63.432 -3.521 -5.085 1.00 0.99 H new ATOM 0 HB2 MET A 45 61.327 -4.144 -2.937 1.00 1.26 H new ATOM 0 HB3 MET A 45 62.501 -5.328 -3.476 1.00 1.26 H new ATOM 0 HG2 MET A 45 63.878 -2.826 -2.898 1.00 1.54 H new ATOM 0 HG3 MET A 45 62.879 -3.256 -1.524 1.00 1.54 H new ATOM 0 HE1 MET A 45 66.813 -4.969 -2.792 1.00 1.74 H new ATOM 0 HE2 MET A 45 65.667 -4.315 -3.986 1.00 1.74 H new ATOM 0 HE3 MET A 45 66.202 -3.307 -2.621 1.00 1.74 H new ATOM 697 N ARG A 46 60.410 -3.807 -6.066 1.00 1.05 N ATOM 698 CA ARG A 46 59.546 -4.476 -7.079 1.00 1.22 C ATOM 699 C ARG A 46 60.066 -4.176 -8.487 1.00 1.26 C ATOM 700 O ARG A 46 60.174 -5.054 -9.320 1.00 1.51 O ATOM 701 CB ARG A 46 58.156 -3.868 -6.880 1.00 1.28 C ATOM 702 CG ARG A 46 57.402 -4.655 -5.806 1.00 1.46 C ATOM 703 CD ARG A 46 56.885 -5.967 -6.402 1.00 1.98 C ATOM 704 NE ARG A 46 55.568 -6.195 -5.744 1.00 2.34 N ATOM 705 CZ ARG A 46 54.775 -7.136 -6.181 1.00 2.82 C ATOM 706 NH1 ARG A 46 55.003 -7.698 -7.336 1.00 3.34 N ATOM 707 NH2 ARG A 46 53.753 -7.513 -5.463 1.00 3.26 N ATOM 0 H ARG A 46 60.018 -2.959 -5.656 1.00 1.05 H new ATOM 0 HA ARG A 46 59.534 -5.560 -6.965 1.00 1.22 H new ATOM 0 HB2 ARG A 46 58.244 -2.822 -6.585 1.00 1.28 H new ATOM 0 HB3 ARG A 46 57.601 -3.889 -7.818 1.00 1.28 H new ATOM 0 HG2 ARG A 46 58.060 -4.861 -4.962 1.00 1.46 H new ATOM 0 HG3 ARG A 46 56.570 -4.064 -5.424 1.00 1.46 H new ATOM 0 HD2 ARG A 46 56.778 -5.894 -7.484 1.00 1.98 H new ATOM 0 HD3 ARG A 46 57.573 -6.789 -6.204 1.00 1.98 H new ATOM 0 HE ARG A 46 55.286 -5.617 -4.953 1.00 2.34 H new ATOM 0 HH11 ARG A 46 55.801 -7.402 -7.898 1.00 3.34 H new ATOM 0 HH12 ARG A 46 54.383 -8.433 -7.677 1.00 3.34 H new ATOM 0 HH21 ARG A 46 53.574 -7.073 -4.561 1.00 3.26 H new ATOM 0 HH22 ARG A 46 53.133 -8.248 -5.804 1.00 3.26 H new ATOM 721 N MET A 47 60.392 -2.942 -8.758 1.00 1.11 N ATOM 722 CA MET A 47 60.908 -2.587 -10.109 1.00 1.26 C ATOM 723 C MET A 47 62.402 -2.913 -10.201 1.00 1.19 C ATOM 724 O MET A 47 62.948 -3.081 -11.273 1.00 1.31 O ATOM 725 CB MET A 47 60.676 -1.081 -10.242 1.00 1.28 C ATOM 726 CG MET A 47 61.480 -0.341 -9.173 1.00 1.46 C ATOM 727 SD MET A 47 62.362 1.044 -9.933 1.00 1.99 S ATOM 728 CE MET A 47 63.994 0.267 -9.993 1.00 2.19 C ATOM 0 H MET A 47 60.323 -2.164 -8.102 1.00 1.11 H new ATOM 0 HA MET A 47 60.410 -3.144 -10.903 1.00 1.26 H new ATOM 0 HB2 MET A 47 60.975 -0.743 -11.234 1.00 1.28 H new ATOM 0 HB3 MET A 47 59.615 -0.856 -10.134 1.00 1.28 H new ATOM 0 HG2 MET A 47 60.815 0.023 -8.390 1.00 1.46 H new ATOM 0 HG3 MET A 47 62.188 -1.021 -8.699 1.00 1.46 H new ATOM 0 HE1 MET A 47 64.468 0.490 -10.949 1.00 2.19 H new ATOM 0 HE2 MET A 47 64.612 0.655 -9.183 1.00 2.19 H new ATOM 0 HE3 MET A 47 63.887 -0.812 -9.884 1.00 2.19 H new ATOM 738 N LEU A 48 63.065 -3.006 -9.079 1.00 1.09 N ATOM 739 CA LEU A 48 64.522 -3.325 -9.094 1.00 1.18 C ATOM 740 C LEU A 48 64.737 -4.780 -9.523 1.00 1.51 C ATOM 741 O LEU A 48 65.805 -5.158 -9.963 1.00 1.89 O ATOM 742 CB LEU A 48 64.988 -3.117 -7.651 1.00 1.18 C ATOM 743 CG LEU A 48 65.650 -1.745 -7.516 1.00 1.35 C ATOM 744 CD1 LEU A 48 65.984 -1.483 -6.046 1.00 2.05 C ATOM 745 CD2 LEU A 48 66.939 -1.718 -8.340 1.00 1.70 C ATOM 0 H LEU A 48 62.660 -2.875 -8.152 1.00 1.09 H new ATOM 0 HA LEU A 48 65.076 -2.700 -9.795 1.00 1.18 H new ATOM 0 HB2 LEU A 48 64.140 -3.191 -6.970 1.00 1.18 H new ATOM 0 HB3 LEU A 48 65.692 -3.900 -7.369 1.00 1.18 H new ATOM 0 HG LEU A 48 64.968 -0.976 -7.879 1.00 1.35 H new ATOM 0 HD11 LEU A 48 66.456 -0.505 -5.949 1.00 2.05 H new ATOM 0 HD12 LEU A 48 65.068 -1.504 -5.455 1.00 2.05 H new ATOM 0 HD13 LEU A 48 66.666 -2.253 -5.685 1.00 2.05 H new ATOM 0 HD21 LEU A 48 67.412 -0.740 -8.244 1.00 1.70 H new ATOM 0 HD22 LEU A 48 67.620 -2.487 -7.976 1.00 1.70 H new ATOM 0 HD23 LEU A 48 66.705 -1.907 -9.388 1.00 1.70 H new ATOM 757 N GLY A 49 63.728 -5.598 -9.397 1.00 1.56 N ATOM 758 CA GLY A 49 63.871 -7.027 -9.792 1.00 1.97 C ATOM 759 C GLY A 49 63.820 -7.906 -8.542 1.00 1.69 C ATOM 760 O GLY A 49 64.137 -9.078 -8.581 1.00 1.87 O ATOM 0 H GLY A 49 62.810 -5.338 -9.037 1.00 1.56 H new ATOM 0 HA2 GLY A 49 63.073 -7.307 -10.480 1.00 1.97 H new ATOM 0 HA3 GLY A 49 64.814 -7.178 -10.318 1.00 1.97 H new ATOM 764 N GLN A 50 63.425 -7.346 -7.430 1.00 1.38 N ATOM 765 CA GLN A 50 63.356 -8.146 -6.174 1.00 1.26 C ATOM 766 C GLN A 50 61.900 -8.449 -5.812 1.00 1.19 C ATOM 767 O GLN A 50 60.979 -7.948 -6.426 1.00 1.25 O ATOM 768 CB GLN A 50 63.997 -7.260 -5.106 1.00 1.39 C ATOM 769 CG GLN A 50 65.478 -7.057 -5.430 1.00 1.69 C ATOM 770 CD GLN A 50 66.288 -8.230 -4.876 1.00 2.12 C ATOM 771 OE1 GLN A 50 65.774 -9.321 -4.725 1.00 2.58 O ATOM 772 NE2 GLN A 50 67.542 -8.051 -4.565 1.00 2.76 N ATOM 0 H GLN A 50 63.147 -6.369 -7.338 1.00 1.38 H new ATOM 0 HA GLN A 50 63.864 -9.106 -6.271 1.00 1.26 H new ATOM 0 HB2 GLN A 50 63.488 -6.297 -5.064 1.00 1.39 H new ATOM 0 HB3 GLN A 50 63.889 -7.720 -4.124 1.00 1.39 H new ATOM 0 HG2 GLN A 50 65.618 -6.982 -6.508 1.00 1.69 H new ATOM 0 HG3 GLN A 50 65.831 -6.121 -4.997 1.00 1.69 H new ATOM 0 HE21 GLN A 50 67.973 -7.135 -4.692 1.00 2.76 H new ATOM 0 HE22 GLN A 50 68.091 -8.827 -4.195 1.00 2.76 H new ATOM 781 N ASN A 51 61.689 -9.265 -4.817 1.00 1.22 N ATOM 782 CA ASN A 51 60.297 -9.605 -4.407 1.00 1.29 C ATOM 783 C ASN A 51 60.220 -9.740 -2.884 1.00 1.25 C ATOM 784 O ASN A 51 60.003 -10.816 -2.365 1.00 1.41 O ATOM 785 CB ASN A 51 60.002 -10.945 -5.082 1.00 1.54 C ATOM 786 CG ASN A 51 58.844 -10.779 -6.066 1.00 1.88 C ATOM 787 OD1 ASN A 51 57.808 -11.394 -5.912 1.00 2.25 O ATOM 788 ND2 ASN A 51 58.976 -9.966 -7.080 1.00 2.57 N ATOM 0 H ASN A 51 62.423 -9.713 -4.268 1.00 1.22 H new ATOM 0 HA ASN A 51 59.578 -8.839 -4.697 1.00 1.29 H new ATOM 0 HB2 ASN A 51 60.889 -11.303 -5.605 1.00 1.54 H new ATOM 0 HB3 ASN A 51 59.750 -11.694 -4.331 1.00 1.54 H new ATOM 0 HD21 ASN A 51 58.209 -9.848 -7.742 1.00 2.57 H new ATOM 0 HD22 ASN A 51 59.846 -9.449 -7.210 1.00 2.57 H new ATOM 795 N PRO A 52 60.408 -8.632 -2.219 1.00 1.15 N ATOM 796 CA PRO A 52 60.368 -8.614 -0.736 1.00 1.20 C ATOM 797 C PRO A 52 58.933 -8.791 -0.230 1.00 1.33 C ATOM 798 O PRO A 52 57.984 -8.716 -0.984 1.00 1.45 O ATOM 799 CB PRO A 52 60.903 -7.229 -0.382 1.00 1.19 C ATOM 800 CG PRO A 52 60.628 -6.387 -1.588 1.00 1.20 C ATOM 801 CD PRO A 52 60.670 -7.304 -2.783 1.00 1.14 C ATOM 0 HA PRO A 52 60.946 -9.420 -0.284 1.00 1.20 H new ATOM 0 HB2 PRO A 52 60.406 -6.828 0.501 1.00 1.19 H new ATOM 0 HB3 PRO A 52 61.969 -7.263 -0.159 1.00 1.19 H new ATOM 0 HG2 PRO A 52 59.655 -5.903 -1.507 1.00 1.20 H new ATOM 0 HG3 PRO A 52 61.371 -5.595 -1.683 1.00 1.20 H new ATOM 0 HD2 PRO A 52 59.919 -7.029 -3.524 1.00 1.14 H new ATOM 0 HD3 PRO A 52 61.638 -7.266 -3.282 1.00 1.14 H new ATOM 809 N THR A 53 58.771 -9.025 1.044 1.00 1.39 N ATOM 810 CA THR A 53 57.398 -9.205 1.601 1.00 1.58 C ATOM 811 C THR A 53 56.885 -7.880 2.169 1.00 1.47 C ATOM 812 O THR A 53 57.651 -6.965 2.395 1.00 1.27 O ATOM 813 CB THR A 53 57.555 -10.241 2.716 1.00 1.77 C ATOM 814 OG1 THR A 53 58.922 -10.324 3.094 1.00 1.69 O ATOM 815 CG2 THR A 53 57.079 -11.607 2.220 1.00 1.97 C ATOM 0 H THR A 53 59.528 -9.099 1.723 1.00 1.39 H new ATOM 0 HA THR A 53 56.683 -9.527 0.844 1.00 1.58 H new ATOM 0 HB THR A 53 56.956 -9.941 3.576 1.00 1.77 H new ATOM 0 HG1 THR A 53 59.083 -11.173 3.556 1.00 1.69 H new ATOM 0 HG21 THR A 53 57.192 -12.343 3.016 1.00 1.97 H new ATOM 0 HG22 THR A 53 56.030 -11.544 1.931 1.00 1.97 H new ATOM 0 HG23 THR A 53 57.675 -11.910 1.359 1.00 1.97 H new ATOM 823 N PRO A 54 55.597 -7.824 2.383 1.00 1.64 N ATOM 824 CA PRO A 54 54.973 -6.597 2.934 1.00 1.63 C ATOM 825 C PRO A 54 55.328 -6.444 4.414 1.00 1.55 C ATOM 826 O PRO A 54 55.339 -5.354 4.953 1.00 1.47 O ATOM 827 CB PRO A 54 53.477 -6.841 2.751 1.00 1.92 C ATOM 828 CG PRO A 54 53.331 -8.330 2.705 1.00 2.08 C ATOM 829 CD PRO A 54 54.614 -8.884 2.137 1.00 1.93 C ATOM 0 HA PRO A 54 55.310 -5.683 2.444 1.00 1.63 H new ATOM 0 HB2 PRO A 54 52.904 -6.413 3.573 1.00 1.92 H new ATOM 0 HB3 PRO A 54 53.111 -6.380 1.834 1.00 1.92 H new ATOM 0 HG2 PRO A 54 53.147 -8.730 3.702 1.00 2.08 H new ATOM 0 HG3 PRO A 54 52.481 -8.615 2.085 1.00 2.08 H new ATOM 0 HD2 PRO A 54 54.899 -9.815 2.628 1.00 1.93 H new ATOM 0 HD3 PRO A 54 54.519 -9.101 1.073 1.00 1.93 H new ATOM 837 N GLU A 55 55.626 -7.530 5.074 1.00 1.61 N ATOM 838 CA GLU A 55 55.989 -7.454 6.518 1.00 1.58 C ATOM 839 C GLU A 55 57.469 -7.097 6.665 1.00 1.42 C ATOM 840 O GLU A 55 57.920 -6.690 7.717 1.00 1.36 O ATOM 841 CB GLU A 55 55.717 -8.855 7.067 1.00 1.74 C ATOM 842 CG GLU A 55 54.959 -8.749 8.392 1.00 2.16 C ATOM 843 CD GLU A 55 55.405 -9.877 9.325 1.00 2.56 C ATOM 844 OE1 GLU A 55 56.121 -10.750 8.866 1.00 3.10 O ATOM 845 OE2 GLU A 55 55.022 -9.846 10.484 1.00 2.83 O ATOM 0 H GLU A 55 55.634 -8.469 4.675 1.00 1.61 H new ATOM 0 HA GLU A 55 55.421 -6.692 7.051 1.00 1.58 H new ATOM 0 HB2 GLU A 55 55.134 -9.431 6.348 1.00 1.74 H new ATOM 0 HB3 GLU A 55 56.657 -9.387 7.216 1.00 1.74 H new ATOM 0 HG2 GLU A 55 55.150 -7.781 8.856 1.00 2.16 H new ATOM 0 HG3 GLU A 55 53.885 -8.812 8.215 1.00 2.16 H new ATOM 852 N GLU A 56 58.228 -7.247 5.614 1.00 1.38 N ATOM 853 CA GLU A 56 59.681 -6.918 5.687 1.00 1.26 C ATOM 854 C GLU A 56 59.902 -5.429 5.398 1.00 1.14 C ATOM 855 O GLU A 56 60.863 -4.836 5.843 1.00 1.07 O ATOM 856 CB GLU A 56 60.330 -7.777 4.602 1.00 1.32 C ATOM 857 CG GLU A 56 60.742 -9.125 5.196 1.00 2.10 C ATOM 858 CD GLU A 56 61.992 -9.639 4.479 1.00 2.79 C ATOM 859 OE1 GLU A 56 62.177 -9.286 3.326 1.00 3.18 O ATOM 860 OE2 GLU A 56 62.743 -10.376 5.095 1.00 3.40 O ATOM 0 H GLU A 56 57.905 -7.583 4.707 1.00 1.38 H new ATOM 0 HA GLU A 56 60.103 -7.115 6.673 1.00 1.26 H new ATOM 0 HB2 GLU A 56 59.633 -7.929 3.778 1.00 1.32 H new ATOM 0 HB3 GLU A 56 61.202 -7.267 4.192 1.00 1.32 H new ATOM 0 HG2 GLU A 56 60.940 -9.019 6.263 1.00 2.10 H new ATOM 0 HG3 GLU A 56 59.929 -9.844 5.092 1.00 2.10 H new ATOM 867 N LEU A 57 59.019 -4.826 4.650 1.00 1.17 N ATOM 868 CA LEU A 57 59.177 -3.378 4.326 1.00 1.13 C ATOM 869 C LEU A 57 59.631 -2.595 5.563 1.00 1.06 C ATOM 870 O LEU A 57 60.755 -2.138 5.642 1.00 1.02 O ATOM 871 CB LEU A 57 57.788 -2.918 3.884 1.00 1.24 C ATOM 872 CG LEU A 57 57.845 -2.441 2.432 1.00 1.41 C ATOM 873 CD1 LEU A 57 57.863 -3.652 1.497 1.00 1.93 C ATOM 874 CD2 LEU A 57 56.614 -1.582 2.128 1.00 1.87 C ATOM 0 H LEU A 57 58.194 -5.273 4.249 1.00 1.17 H new ATOM 0 HA LEU A 57 59.930 -3.212 3.556 1.00 1.13 H new ATOM 0 HB2 LEU A 57 57.075 -3.736 3.981 1.00 1.24 H new ATOM 0 HB3 LEU A 57 57.438 -2.112 4.529 1.00 1.24 H new ATOM 0 HG LEU A 57 58.748 -1.850 2.280 1.00 1.41 H new ATOM 0 HD11 LEU A 57 57.904 -3.312 0.462 1.00 1.93 H new ATOM 0 HD12 LEU A 57 58.738 -4.265 1.712 1.00 1.93 H new ATOM 0 HD13 LEU A 57 56.960 -4.243 1.650 1.00 1.93 H new ATOM 0 HD21 LEU A 57 56.654 -1.242 1.093 1.00 1.87 H new ATOM 0 HD22 LEU A 57 55.711 -2.173 2.281 1.00 1.87 H new ATOM 0 HD23 LEU A 57 56.599 -0.719 2.793 1.00 1.87 H new ATOM 886 N GLN A 58 58.763 -2.430 6.523 1.00 1.09 N ATOM 887 CA GLN A 58 59.137 -1.668 7.751 1.00 1.08 C ATOM 888 C GLN A 58 60.360 -2.293 8.427 1.00 1.04 C ATOM 889 O GLN A 58 61.192 -1.604 8.983 1.00 1.05 O ATOM 890 CB GLN A 58 57.913 -1.770 8.662 1.00 1.15 C ATOM 891 CG GLN A 58 58.280 -1.298 10.070 1.00 1.39 C ATOM 892 CD GLN A 58 58.494 0.216 10.063 1.00 1.62 C ATOM 893 OE1 GLN A 58 57.639 0.964 10.494 1.00 2.20 O ATOM 894 NE2 GLN A 58 59.608 0.702 9.589 1.00 1.88 N ATOM 0 H GLN A 58 57.809 -2.790 6.511 1.00 1.09 H new ATOM 0 HA GLN A 58 59.401 -0.635 7.526 1.00 1.08 H new ATOM 0 HB2 GLN A 58 57.100 -1.163 8.265 1.00 1.15 H new ATOM 0 HB3 GLN A 58 57.556 -2.799 8.694 1.00 1.15 H new ATOM 0 HG2 GLN A 58 57.487 -1.560 10.771 1.00 1.39 H new ATOM 0 HG3 GLN A 58 59.185 -1.802 10.409 1.00 1.39 H new ATOM 0 HE21 GLN A 58 60.325 0.074 9.227 1.00 1.88 H new ATOM 0 HE22 GLN A 58 59.762 1.710 9.580 1.00 1.88 H new ATOM 903 N GLU A 59 60.475 -3.591 8.393 1.00 1.07 N ATOM 904 CA GLU A 59 61.643 -4.254 9.043 1.00 1.09 C ATOM 905 C GLU A 59 62.940 -3.888 8.314 1.00 1.07 C ATOM 906 O GLU A 59 63.996 -3.810 8.910 1.00 1.08 O ATOM 907 CB GLU A 59 61.364 -5.752 8.920 1.00 1.17 C ATOM 908 CG GLU A 59 62.076 -6.499 10.050 1.00 1.28 C ATOM 909 CD GLU A 59 63.509 -6.822 9.626 1.00 1.84 C ATOM 910 OE1 GLU A 59 63.910 -6.363 8.569 1.00 2.18 O ATOM 911 OE2 GLU A 59 64.182 -7.522 10.365 1.00 2.48 O ATOM 0 H GLU A 59 59.812 -4.223 7.944 1.00 1.07 H new ATOM 0 HA GLU A 59 61.767 -3.944 10.080 1.00 1.09 H new ATOM 0 HB2 GLU A 59 60.291 -5.938 8.967 1.00 1.17 H new ATOM 0 HB3 GLU A 59 61.709 -6.119 7.953 1.00 1.17 H new ATOM 0 HG2 GLU A 59 62.082 -5.891 10.955 1.00 1.28 H new ATOM 0 HG3 GLU A 59 61.540 -7.418 10.287 1.00 1.28 H new ATOM 918 N MET A 60 62.870 -3.668 7.030 1.00 1.08 N ATOM 919 CA MET A 60 64.101 -3.313 6.266 1.00 1.09 C ATOM 920 C MET A 60 64.429 -1.827 6.438 1.00 1.10 C ATOM 921 O MET A 60 65.446 -1.350 5.976 1.00 1.47 O ATOM 922 CB MET A 60 63.760 -3.619 4.806 1.00 1.09 C ATOM 923 CG MET A 60 64.920 -4.373 4.155 1.00 1.42 C ATOM 924 SD MET A 60 65.150 -5.964 4.987 1.00 1.89 S ATOM 925 CE MET A 60 63.998 -6.920 3.971 1.00 1.71 C ATOM 0 H MET A 60 62.015 -3.718 6.476 1.00 1.08 H new ATOM 0 HA MET A 60 64.973 -3.869 6.611 1.00 1.09 H new ATOM 0 HB2 MET A 60 62.849 -4.216 4.752 1.00 1.09 H new ATOM 0 HB3 MET A 60 63.566 -2.693 4.265 1.00 1.09 H new ATOM 0 HG2 MET A 60 64.716 -4.531 3.096 1.00 1.42 H new ATOM 0 HG3 MET A 60 65.833 -3.782 4.219 1.00 1.42 H new ATOM 0 HE1 MET A 60 63.275 -7.421 4.615 1.00 1.71 H new ATOM 0 HE2 MET A 60 63.474 -6.251 3.288 1.00 1.71 H new ATOM 0 HE3 MET A 60 64.550 -7.664 3.397 1.00 1.71 H new ATOM 935 N ILE A 61 63.576 -1.091 7.097 1.00 0.91 N ATOM 936 CA ILE A 61 63.844 0.364 7.293 1.00 0.95 C ATOM 937 C ILE A 61 63.802 0.717 8.781 1.00 0.94 C ATOM 938 O ILE A 61 64.189 1.796 9.184 1.00 1.06 O ATOM 939 CB ILE A 61 62.720 1.077 6.541 1.00 1.03 C ATOM 940 CG1 ILE A 61 62.839 0.777 5.045 1.00 1.35 C ATOM 941 CG2 ILE A 61 62.832 2.586 6.770 1.00 1.55 C ATOM 942 CD1 ILE A 61 61.773 1.564 4.281 1.00 1.56 C ATOM 0 H ILE A 61 62.707 -1.432 7.508 1.00 0.91 H new ATOM 0 HA ILE A 61 64.829 0.654 6.928 1.00 0.95 H new ATOM 0 HB ILE A 61 61.755 0.725 6.907 1.00 1.03 H new ATOM 0 HG12 ILE A 61 63.832 1.047 4.687 1.00 1.35 H new ATOM 0 HG13 ILE A 61 62.716 -0.291 4.866 1.00 1.35 H new ATOM 0 HG21 ILE A 61 62.031 3.096 6.234 1.00 1.55 H new ATOM 0 HG22 ILE A 61 62.749 2.799 7.836 1.00 1.55 H new ATOM 0 HG23 ILE A 61 63.796 2.939 6.403 1.00 1.55 H new ATOM 0 HD11 ILE A 61 61.857 1.351 3.215 1.00 1.56 H new ATOM 0 HD12 ILE A 61 60.783 1.272 4.632 1.00 1.56 H new ATOM 0 HD13 ILE A 61 61.918 2.631 4.450 1.00 1.56 H new ATOM 954 N ASP A 62 63.336 -0.184 9.600 1.00 1.09 N ATOM 955 CA ASP A 62 63.269 0.100 11.062 1.00 1.09 C ATOM 956 C ASP A 62 64.479 -0.509 11.773 1.00 1.11 C ATOM 957 O ASP A 62 64.483 -0.683 12.975 1.00 1.24 O ATOM 958 CB ASP A 62 61.979 -0.569 11.532 1.00 1.22 C ATOM 959 CG ASP A 62 62.171 -2.087 11.571 1.00 1.40 C ATOM 960 OD1 ASP A 62 63.105 -2.563 10.946 1.00 1.91 O ATOM 961 OD2 ASP A 62 61.380 -2.749 12.224 1.00 1.87 O ATOM 0 H ASP A 62 62.998 -1.105 9.321 1.00 1.09 H new ATOM 0 HA ASP A 62 63.278 1.168 11.279 1.00 1.09 H new ATOM 0 HB2 ASP A 62 61.707 -0.201 12.521 1.00 1.22 H new ATOM 0 HB3 ASP A 62 61.160 -0.313 10.860 1.00 1.22 H new ATOM 966 N GLU A 63 65.501 -0.843 11.036 1.00 1.18 N ATOM 967 CA GLU A 63 66.706 -1.451 11.671 1.00 1.31 C ATOM 968 C GLU A 63 67.963 -0.635 11.352 1.00 1.18 C ATOM 969 O GLU A 63 68.908 -0.614 12.118 1.00 1.41 O ATOM 970 CB GLU A 63 66.805 -2.850 11.060 1.00 1.50 C ATOM 971 CG GLU A 63 67.318 -2.749 9.622 1.00 1.93 C ATOM 972 CD GLU A 63 67.561 -4.153 9.067 1.00 1.91 C ATOM 973 OE1 GLU A 63 67.798 -5.049 9.861 1.00 2.24 O ATOM 974 OE2 GLU A 63 67.506 -4.309 7.858 1.00 2.33 O ATOM 0 H GLU A 63 65.555 -0.722 10.025 1.00 1.18 H new ATOM 0 HA GLU A 63 66.625 -1.478 12.758 1.00 1.31 H new ATOM 0 HB2 GLU A 63 67.477 -3.470 11.653 1.00 1.50 H new ATOM 0 HB3 GLU A 63 65.828 -3.334 11.075 1.00 1.50 H new ATOM 0 HG2 GLU A 63 66.593 -2.222 9.002 1.00 1.93 H new ATOM 0 HG3 GLU A 63 68.241 -2.171 9.594 1.00 1.93 H new ATOM 981 N VAL A 64 67.993 0.034 10.232 1.00 0.93 N ATOM 982 CA VAL A 64 69.201 0.838 9.883 1.00 0.92 C ATOM 983 C VAL A 64 68.896 2.336 9.961 1.00 0.95 C ATOM 984 O VAL A 64 69.790 3.156 10.017 1.00 1.37 O ATOM 985 CB VAL A 64 69.552 0.433 8.450 1.00 0.91 C ATOM 986 CG1 VAL A 64 68.457 0.914 7.496 1.00 1.66 C ATOM 987 CG2 VAL A 64 70.885 1.074 8.057 1.00 1.51 C ATOM 0 H VAL A 64 67.238 0.060 9.546 1.00 0.93 H new ATOM 0 HA VAL A 64 70.025 0.653 10.572 1.00 0.92 H new ATOM 0 HB VAL A 64 69.633 -0.652 8.389 1.00 0.91 H new ATOM 0 HG11 VAL A 64 68.710 0.624 6.476 1.00 1.66 H new ATOM 0 HG12 VAL A 64 67.506 0.462 7.777 1.00 1.66 H new ATOM 0 HG13 VAL A 64 68.374 1.999 7.555 1.00 1.66 H new ATOM 0 HG21 VAL A 64 71.139 0.788 7.036 1.00 1.51 H new ATOM 0 HG22 VAL A 64 70.799 2.159 8.119 1.00 1.51 H new ATOM 0 HG23 VAL A 64 71.667 0.732 8.735 1.00 1.51 H new ATOM 997 N ASP A 65 67.644 2.705 9.968 1.00 0.96 N ATOM 998 CA ASP A 65 67.297 4.153 10.048 1.00 1.02 C ATOM 999 C ASP A 65 67.676 4.708 11.425 1.00 1.06 C ATOM 1000 O ASP A 65 67.113 4.330 12.433 1.00 1.22 O ATOM 1001 CB ASP A 65 65.783 4.213 9.843 1.00 1.24 C ATOM 1002 CG ASP A 65 65.391 5.602 9.336 1.00 1.68 C ATOM 1003 OD1 ASP A 65 66.270 6.313 8.877 1.00 2.50 O ATOM 1004 OD2 ASP A 65 64.219 5.932 9.417 1.00 1.96 O ATOM 0 H ASP A 65 66.848 2.069 9.922 1.00 0.96 H new ATOM 0 HA ASP A 65 67.830 4.748 9.306 1.00 1.02 H new ATOM 0 HB2 ASP A 65 65.472 3.452 9.127 1.00 1.24 H new ATOM 0 HB3 ASP A 65 65.270 3.998 10.780 1.00 1.24 H new ATOM 1009 N GLU A 66 68.629 5.599 11.476 1.00 1.15 N ATOM 1010 CA GLU A 66 69.046 6.170 12.791 1.00 1.37 C ATOM 1011 C GLU A 66 68.691 7.657 12.867 1.00 1.34 C ATOM 1012 O GLU A 66 69.165 8.373 13.726 1.00 1.62 O ATOM 1013 CB GLU A 66 70.562 5.981 12.840 1.00 1.74 C ATOM 1014 CG GLU A 66 70.909 4.533 12.487 1.00 1.95 C ATOM 1015 CD GLU A 66 72.006 4.027 13.425 1.00 2.73 C ATOM 1016 OE1 GLU A 66 71.669 3.529 14.486 1.00 3.39 O ATOM 1017 OE2 GLU A 66 73.167 4.146 13.065 1.00 3.12 O ATOM 0 H GLU A 66 69.136 5.956 10.666 1.00 1.15 H new ATOM 0 HA GLU A 66 68.543 5.683 13.627 1.00 1.37 H new ATOM 0 HB2 GLU A 66 71.047 6.663 12.141 1.00 1.74 H new ATOM 0 HB3 GLU A 66 70.937 6.224 13.834 1.00 1.74 H new ATOM 0 HG2 GLU A 66 70.023 3.904 12.574 1.00 1.95 H new ATOM 0 HG3 GLU A 66 71.244 4.470 11.452 1.00 1.95 H new ATOM 1024 N ASP A 67 67.861 8.129 11.977 1.00 1.42 N ATOM 1025 CA ASP A 67 67.482 9.572 12.007 1.00 1.67 C ATOM 1026 C ASP A 67 66.002 9.723 12.367 1.00 1.70 C ATOM 1027 O ASP A 67 65.529 10.806 12.652 1.00 2.12 O ATOM 1028 CB ASP A 67 67.744 10.082 10.589 1.00 2.50 C ATOM 1029 CG ASP A 67 67.174 9.092 9.572 1.00 3.17 C ATOM 1030 OD1 ASP A 67 65.971 8.888 9.584 1.00 3.83 O ATOM 1031 OD2 ASP A 67 67.951 8.555 8.800 1.00 3.45 O ATOM 0 H ASP A 67 67.430 7.581 11.233 1.00 1.42 H new ATOM 0 HA ASP A 67 68.048 10.131 12.752 1.00 1.67 H new ATOM 0 HB2 ASP A 67 67.285 11.062 10.454 1.00 2.50 H new ATOM 0 HB3 ASP A 67 68.815 10.207 10.429 1.00 2.50 H new ATOM 1036 N GLY A 68 65.267 8.645 12.359 1.00 1.77 N ATOM 1037 CA GLY A 68 63.818 8.727 12.702 1.00 2.43 C ATOM 1038 C GLY A 68 63.047 9.341 11.531 1.00 2.01 C ATOM 1039 O GLY A 68 61.846 9.516 11.590 1.00 2.65 O ATOM 0 H GLY A 68 65.607 7.711 12.130 1.00 1.77 H new ATOM 0 HA2 GLY A 68 63.430 7.733 12.925 1.00 2.43 H new ATOM 0 HA3 GLY A 68 63.680 9.332 13.598 1.00 2.43 H new ATOM 1043 N SER A 69 63.727 9.670 10.466 1.00 1.59 N ATOM 1044 CA SER A 69 63.031 10.272 9.293 1.00 1.99 C ATOM 1045 C SER A 69 61.941 9.326 8.784 1.00 1.42 C ATOM 1046 O SER A 69 61.006 9.737 8.126 1.00 1.97 O ATOM 1047 CB SER A 69 64.121 10.452 8.236 1.00 2.89 C ATOM 1048 OG SER A 69 64.371 9.204 7.603 1.00 3.53 O ATOM 0 H SER A 69 64.734 9.548 10.358 1.00 1.59 H new ATOM 0 HA SER A 69 62.543 11.215 9.540 1.00 1.99 H new ATOM 0 HB2 SER A 69 63.810 11.191 7.498 1.00 2.89 H new ATOM 0 HB3 SER A 69 65.034 10.828 8.698 1.00 2.89 H new ATOM 0 HG SER A 69 65.187 8.807 7.974 1.00 3.53 H new ATOM 1054 N GLY A 70 62.055 8.061 9.083 1.00 1.23 N ATOM 1055 CA GLY A 70 61.025 7.090 8.618 1.00 1.51 C ATOM 1056 C GLY A 70 61.203 6.827 7.121 1.00 1.28 C ATOM 1057 O GLY A 70 60.463 6.070 6.523 1.00 1.42 O ATOM 0 H GLY A 70 62.817 7.658 9.629 1.00 1.23 H new ATOM 0 HA2 GLY A 70 61.114 6.157 9.174 1.00 1.51 H new ATOM 0 HA3 GLY A 70 60.027 7.483 8.812 1.00 1.51 H new ATOM 1061 N THR A 71 62.177 7.444 6.509 1.00 1.12 N ATOM 1062 CA THR A 71 62.397 7.224 5.050 1.00 0.98 C ATOM 1063 C THR A 71 63.823 6.726 4.801 1.00 0.88 C ATOM 1064 O THR A 71 64.719 6.965 5.586 1.00 0.92 O ATOM 1065 CB THR A 71 62.184 8.596 4.408 1.00 1.11 C ATOM 1066 OG1 THR A 71 63.224 9.473 4.816 1.00 1.83 O ATOM 1067 CG2 THR A 71 60.834 9.161 4.847 1.00 1.34 C ATOM 0 H THR A 71 62.829 8.090 6.955 1.00 1.12 H new ATOM 0 HA THR A 71 61.724 6.473 4.637 1.00 0.98 H new ATOM 0 HB THR A 71 62.197 8.497 3.323 1.00 1.11 H new ATOM 0 HG1 THR A 71 63.475 9.274 5.742 1.00 1.83 H new ATOM 0 HG21 THR A 71 60.683 10.139 4.389 1.00 1.34 H new ATOM 0 HG22 THR A 71 60.038 8.486 4.533 1.00 1.34 H new ATOM 0 HG23 THR A 71 60.817 9.262 5.932 1.00 1.34 H new ATOM 1075 N VAL A 72 64.039 6.032 3.718 1.00 0.83 N ATOM 1076 CA VAL A 72 65.409 5.517 3.426 1.00 0.76 C ATOM 1077 C VAL A 72 66.184 6.523 2.573 1.00 0.68 C ATOM 1078 O VAL A 72 65.652 7.115 1.655 1.00 0.72 O ATOM 1079 CB VAL A 72 65.193 4.215 2.648 1.00 0.79 C ATOM 1080 CG1 VAL A 72 66.468 3.371 2.705 1.00 0.87 C ATOM 1081 CG2 VAL A 72 64.038 3.426 3.271 1.00 1.02 C ATOM 0 H VAL A 72 63.329 5.799 3.023 1.00 0.83 H new ATOM 0 HA VAL A 72 65.987 5.357 4.336 1.00 0.76 H new ATOM 0 HB VAL A 72 64.953 4.451 1.611 1.00 0.79 H new ATOM 0 HG11 VAL A 72 66.316 2.444 2.152 1.00 0.87 H new ATOM 0 HG12 VAL A 72 67.293 3.928 2.260 1.00 0.87 H new ATOM 0 HG13 VAL A 72 66.705 3.139 3.743 1.00 0.87 H new ATOM 0 HG21 VAL A 72 63.888 2.501 2.715 1.00 1.02 H new ATOM 0 HG22 VAL A 72 64.276 3.191 4.309 1.00 1.02 H new ATOM 0 HG23 VAL A 72 63.127 4.024 3.234 1.00 1.02 H new ATOM 1091 N ASP A 73 67.440 6.718 2.867 1.00 0.72 N ATOM 1092 CA ASP A 73 68.252 7.684 2.072 1.00 0.76 C ATOM 1093 C ASP A 73 69.392 6.949 1.362 1.00 0.83 C ATOM 1094 O ASP A 73 69.636 5.784 1.603 1.00 1.49 O ATOM 1095 CB ASP A 73 68.807 8.673 3.099 1.00 0.98 C ATOM 1096 CG ASP A 73 69.369 9.898 2.375 1.00 1.30 C ATOM 1097 OD1 ASP A 73 69.289 9.931 1.159 1.00 1.99 O ATOM 1098 OD2 ASP A 73 69.868 10.783 3.051 1.00 1.89 O ATOM 0 H ASP A 73 67.940 6.250 3.623 1.00 0.72 H new ATOM 0 HA ASP A 73 67.666 8.185 1.301 1.00 0.76 H new ATOM 0 HB2 ASP A 73 68.021 8.975 3.791 1.00 0.98 H new ATOM 0 HB3 ASP A 73 69.588 8.198 3.692 1.00 0.98 H new ATOM 1103 N PHE A 74 70.091 7.619 0.487 1.00 0.67 N ATOM 1104 CA PHE A 74 71.213 6.953 -0.236 1.00 0.64 C ATOM 1105 C PHE A 74 72.193 6.333 0.765 1.00 0.73 C ATOM 1106 O PHE A 74 72.884 5.381 0.463 1.00 0.87 O ATOM 1107 CB PHE A 74 71.890 8.069 -1.033 1.00 0.79 C ATOM 1108 CG PHE A 74 72.624 7.473 -2.210 1.00 0.86 C ATOM 1109 CD1 PHE A 74 71.916 6.779 -3.198 1.00 1.33 C ATOM 1110 CD2 PHE A 74 74.013 7.616 -2.315 1.00 1.68 C ATOM 1111 CE1 PHE A 74 72.596 6.226 -4.290 1.00 1.45 C ATOM 1112 CE2 PHE A 74 74.694 7.063 -3.407 1.00 1.78 C ATOM 1113 CZ PHE A 74 73.985 6.368 -4.394 1.00 1.20 C ATOM 0 H PHE A 74 69.935 8.597 0.241 1.00 0.67 H new ATOM 0 HA PHE A 74 70.867 6.146 -0.882 1.00 0.64 H new ATOM 0 HB2 PHE A 74 71.146 8.786 -1.380 1.00 0.79 H new ATOM 0 HB3 PHE A 74 72.585 8.615 -0.396 1.00 0.79 H new ATOM 0 HD1 PHE A 74 70.844 6.670 -3.118 1.00 1.33 H new ATOM 0 HD2 PHE A 74 74.559 8.153 -1.554 1.00 1.68 H new ATOM 0 HE1 PHE A 74 72.049 5.690 -5.052 1.00 1.45 H new ATOM 0 HE2 PHE A 74 75.765 7.173 -3.487 1.00 1.78 H new ATOM 0 HZ PHE A 74 74.510 5.941 -5.236 1.00 1.20 H new ATOM 1123 N ASP A 75 72.256 6.867 1.955 1.00 0.94 N ATOM 1124 CA ASP A 75 73.191 6.308 2.976 1.00 1.11 C ATOM 1125 C ASP A 75 72.595 5.044 3.603 1.00 0.90 C ATOM 1126 O ASP A 75 73.287 4.076 3.846 1.00 0.94 O ATOM 1127 CB ASP A 75 73.335 7.411 4.025 1.00 1.45 C ATOM 1128 CG ASP A 75 74.702 8.082 3.879 1.00 2.16 C ATOM 1129 OD1 ASP A 75 75.685 7.364 3.790 1.00 2.66 O ATOM 1130 OD2 ASP A 75 74.742 9.300 3.856 1.00 2.78 O ATOM 0 H ASP A 75 71.702 7.665 2.265 1.00 0.94 H new ATOM 0 HA ASP A 75 74.152 6.026 2.547 1.00 1.11 H new ATOM 0 HB2 ASP A 75 72.542 8.149 3.903 1.00 1.45 H new ATOM 0 HB3 ASP A 75 73.229 6.991 5.025 1.00 1.45 H new ATOM 1135 N GLU A 76 71.318 5.047 3.868 1.00 0.81 N ATOM 1136 CA GLU A 76 70.678 3.847 4.479 1.00 0.76 C ATOM 1137 C GLU A 76 70.186 2.893 3.388 1.00 0.62 C ATOM 1138 O GLU A 76 70.362 1.693 3.472 1.00 0.61 O ATOM 1139 CB GLU A 76 69.498 4.392 5.283 1.00 0.93 C ATOM 1140 CG GLU A 76 70.007 5.405 6.310 1.00 1.09 C ATOM 1141 CD GLU A 76 68.872 6.355 6.697 1.00 1.59 C ATOM 1142 OE1 GLU A 76 68.320 6.980 5.806 1.00 1.93 O ATOM 1143 OE2 GLU A 76 68.571 6.439 7.876 1.00 2.25 O ATOM 0 H GLU A 76 70.689 5.829 3.688 1.00 0.81 H new ATOM 0 HA GLU A 76 71.373 3.284 5.103 1.00 0.76 H new ATOM 0 HB2 GLU A 76 68.777 4.865 4.616 1.00 0.93 H new ATOM 0 HB3 GLU A 76 68.979 3.576 5.787 1.00 0.93 H new ATOM 0 HG2 GLU A 76 70.379 4.887 7.194 1.00 1.09 H new ATOM 0 HG3 GLU A 76 70.843 5.969 5.896 1.00 1.09 H new ATOM 1150 N PHE A 77 69.567 3.417 2.366 1.00 0.59 N ATOM 1151 CA PHE A 77 69.061 2.541 1.270 1.00 0.57 C ATOM 1152 C PHE A 77 70.108 1.486 0.906 1.00 0.59 C ATOM 1153 O PHE A 77 69.784 0.367 0.562 1.00 0.71 O ATOM 1154 CB PHE A 77 68.814 3.484 0.092 1.00 0.62 C ATOM 1155 CG PHE A 77 68.146 2.725 -1.030 1.00 0.72 C ATOM 1156 CD1 PHE A 77 66.762 2.518 -1.009 1.00 1.51 C ATOM 1157 CD2 PHE A 77 68.913 2.226 -2.091 1.00 1.42 C ATOM 1158 CE1 PHE A 77 66.144 1.814 -2.048 1.00 1.76 C ATOM 1159 CE2 PHE A 77 68.294 1.521 -3.129 1.00 1.60 C ATOM 1160 CZ PHE A 77 66.910 1.315 -3.109 1.00 1.37 C ATOM 0 H PHE A 77 69.389 4.414 2.242 1.00 0.59 H new ATOM 0 HA PHE A 77 68.158 2.002 1.556 1.00 0.57 H new ATOM 0 HB2 PHE A 77 68.186 4.318 0.406 1.00 0.62 H new ATOM 0 HB3 PHE A 77 69.757 3.908 -0.252 1.00 0.62 H new ATOM 0 HD1 PHE A 77 66.171 2.902 -0.191 1.00 1.51 H new ATOM 0 HD2 PHE A 77 69.981 2.385 -2.108 1.00 1.42 H new ATOM 0 HE1 PHE A 77 65.076 1.655 -2.032 1.00 1.76 H new ATOM 0 HE2 PHE A 77 68.885 1.135 -3.947 1.00 1.60 H new ATOM 0 HZ PHE A 77 66.433 0.772 -3.911 1.00 1.37 H new ATOM 1170 N LEU A 78 71.364 1.834 0.980 1.00 0.57 N ATOM 1171 CA LEU A 78 72.431 0.849 0.638 1.00 0.62 C ATOM 1172 C LEU A 78 72.593 -0.173 1.768 1.00 0.61 C ATOM 1173 O LEU A 78 72.472 -1.364 1.563 1.00 0.68 O ATOM 1174 CB LEU A 78 73.702 1.683 0.477 1.00 0.66 C ATOM 1175 CG LEU A 78 73.838 2.125 -0.980 1.00 0.73 C ATOM 1176 CD1 LEU A 78 75.095 2.982 -1.140 1.00 1.10 C ATOM 1177 CD2 LEU A 78 73.946 0.891 -1.879 1.00 1.34 C ATOM 0 H LEU A 78 71.698 2.756 1.262 1.00 0.57 H new ATOM 0 HA LEU A 78 72.198 0.284 -0.265 1.00 0.62 H new ATOM 0 HB2 LEU A 78 73.664 2.554 1.131 1.00 0.66 H new ATOM 0 HB3 LEU A 78 74.573 1.099 0.774 1.00 0.66 H new ATOM 0 HG LEU A 78 72.962 2.708 -1.265 1.00 0.73 H new ATOM 0 HD11 LEU A 78 75.191 3.297 -2.179 1.00 1.10 H new ATOM 0 HD12 LEU A 78 75.020 3.861 -0.500 1.00 1.10 H new ATOM 0 HD13 LEU A 78 75.971 2.400 -0.855 1.00 1.10 H new ATOM 0 HD21 LEU A 78 74.043 1.205 -2.918 1.00 1.34 H new ATOM 0 HD22 LEU A 78 74.821 0.308 -1.593 1.00 1.34 H new ATOM 0 HD23 LEU A 78 73.051 0.280 -1.767 1.00 1.34 H new ATOM 1189 N VAL A 79 72.867 0.284 2.961 1.00 0.64 N ATOM 1190 CA VAL A 79 73.038 -0.661 4.103 1.00 0.68 C ATOM 1191 C VAL A 79 71.841 -1.612 4.192 1.00 0.78 C ATOM 1192 O VAL A 79 71.992 -2.817 4.198 1.00 0.92 O ATOM 1193 CB VAL A 79 73.106 0.228 5.344 1.00 0.73 C ATOM 1194 CG1 VAL A 79 73.220 -0.647 6.592 1.00 1.15 C ATOM 1195 CG2 VAL A 79 74.330 1.143 5.250 1.00 0.91 C ATOM 0 H VAL A 79 72.980 1.271 3.194 1.00 0.64 H new ATOM 0 HA VAL A 79 73.927 -1.281 3.993 1.00 0.68 H new ATOM 0 HB VAL A 79 72.202 0.834 5.406 1.00 0.73 H new ATOM 0 HG11 VAL A 79 73.269 -0.013 7.477 1.00 1.15 H new ATOM 0 HG12 VAL A 79 72.349 -1.299 6.660 1.00 1.15 H new ATOM 0 HG13 VAL A 79 74.124 -1.253 6.530 1.00 1.15 H new ATOM 0 HG21 VAL A 79 74.379 1.777 6.135 1.00 0.91 H new ATOM 0 HG22 VAL A 79 75.234 0.537 5.188 1.00 0.91 H new ATOM 0 HG23 VAL A 79 74.250 1.767 4.360 1.00 0.91 H new ATOM 1205 N MET A 80 70.651 -1.080 4.265 1.00 0.82 N ATOM 1206 CA MET A 80 69.448 -1.955 4.355 1.00 0.93 C ATOM 1207 C MET A 80 69.527 -3.069 3.309 1.00 0.92 C ATOM 1208 O MET A 80 69.130 -4.192 3.551 1.00 0.99 O ATOM 1209 CB MET A 80 68.266 -1.029 4.064 1.00 1.04 C ATOM 1210 CG MET A 80 68.503 -0.302 2.742 1.00 1.05 C ATOM 1211 SD MET A 80 67.687 -1.205 1.402 1.00 1.64 S ATOM 1212 CE MET A 80 66.065 -0.419 1.555 1.00 1.27 C ATOM 0 H MET A 80 70.460 -0.078 4.266 1.00 0.82 H new ATOM 0 HA MET A 80 69.358 -2.439 5.328 1.00 0.93 H new ATOM 0 HB2 MET A 80 67.342 -1.605 4.014 1.00 1.04 H new ATOM 0 HB3 MET A 80 68.148 -0.307 4.872 1.00 1.04 H new ATOM 0 HG2 MET A 80 68.114 0.715 2.799 1.00 1.05 H new ATOM 0 HG3 MET A 80 69.572 -0.224 2.544 1.00 1.05 H new ATOM 0 HE1 MET A 80 65.300 -1.185 1.685 1.00 1.27 H new ATOM 0 HE2 MET A 80 66.063 0.246 2.418 1.00 1.27 H new ATOM 0 HE3 MET A 80 65.853 0.156 0.653 1.00 1.27 H new ATOM 1222 N MET A 81 70.039 -2.768 2.148 1.00 0.86 N ATOM 1223 CA MET A 81 70.146 -3.807 1.085 1.00 0.88 C ATOM 1224 C MET A 81 71.227 -4.827 1.449 1.00 0.90 C ATOM 1225 O MET A 81 70.955 -5.997 1.632 1.00 1.04 O ATOM 1226 CB MET A 81 70.538 -3.038 -0.177 1.00 0.86 C ATOM 1227 CG MET A 81 69.433 -3.183 -1.225 1.00 0.97 C ATOM 1228 SD MET A 81 69.415 -1.720 -2.289 1.00 1.31 S ATOM 1229 CE MET A 81 67.705 -1.227 -1.963 1.00 0.93 C ATOM 0 H MET A 81 70.389 -1.846 1.889 1.00 0.86 H new ATOM 0 HA MET A 81 69.218 -4.363 0.954 1.00 0.88 H new ATOM 0 HB2 MET A 81 70.694 -1.985 0.059 1.00 0.86 H new ATOM 0 HB3 MET A 81 71.480 -3.420 -0.571 1.00 0.86 H new ATOM 0 HG2 MET A 81 69.600 -4.079 -1.823 1.00 0.97 H new ATOM 0 HG3 MET A 81 68.466 -3.302 -0.736 1.00 0.97 H new ATOM 0 HE1 MET A 81 67.165 -1.141 -2.906 1.00 0.93 H new ATOM 0 HE2 MET A 81 67.223 -1.977 -1.336 1.00 0.93 H new ATOM 0 HE3 MET A 81 67.695 -0.265 -1.450 1.00 0.93 H new ATOM 1239 N VAL A 82 72.452 -4.392 1.557 1.00 0.81 N ATOM 1240 CA VAL A 82 73.552 -5.333 1.910 1.00 0.87 C ATOM 1241 C VAL A 82 73.195 -6.119 3.175 1.00 0.93 C ATOM 1242 O VAL A 82 73.680 -7.211 3.395 1.00 1.06 O ATOM 1243 CB VAL A 82 74.767 -4.440 2.158 1.00 0.86 C ATOM 1244 CG1 VAL A 82 74.393 -3.337 3.147 1.00 1.12 C ATOM 1245 CG2 VAL A 82 75.904 -5.277 2.743 1.00 1.38 C ATOM 0 H VAL A 82 72.739 -3.424 1.416 1.00 0.81 H new ATOM 0 HA VAL A 82 73.736 -6.067 1.125 1.00 0.87 H new ATOM 0 HB VAL A 82 75.088 -3.995 1.216 1.00 0.86 H new ATOM 0 HG11 VAL A 82 75.259 -2.699 3.325 1.00 1.12 H new ATOM 0 HG12 VAL A 82 73.580 -2.739 2.735 1.00 1.12 H new ATOM 0 HG13 VAL A 82 74.073 -3.785 4.088 1.00 1.12 H new ATOM 0 HG21 VAL A 82 76.771 -4.640 2.920 1.00 1.38 H new ATOM 0 HG22 VAL A 82 75.582 -5.721 3.685 1.00 1.38 H new ATOM 0 HG23 VAL A 82 76.172 -6.068 2.042 1.00 1.38 H new ATOM 1255 N ARG A 83 72.352 -5.574 4.008 1.00 0.92 N ATOM 1256 CA ARG A 83 71.968 -6.293 5.258 1.00 1.06 C ATOM 1257 C ARG A 83 71.182 -7.561 4.916 1.00 1.17 C ATOM 1258 O ARG A 83 71.405 -8.614 5.480 1.00 1.35 O ATOM 1259 CB ARG A 83 71.088 -5.309 6.029 1.00 1.12 C ATOM 1260 CG ARG A 83 71.957 -4.478 6.974 1.00 1.21 C ATOM 1261 CD ARG A 83 71.061 -3.708 7.947 1.00 1.42 C ATOM 1262 NE ARG A 83 71.477 -4.170 9.300 1.00 1.54 N ATOM 1263 CZ ARG A 83 71.222 -3.434 10.348 1.00 1.90 C ATOM 1264 NH1 ARG A 83 71.424 -2.146 10.306 1.00 1.93 N ATOM 1265 NH2 ARG A 83 70.768 -3.988 11.439 1.00 2.73 N ATOM 0 H ARG A 83 71.912 -4.663 3.878 1.00 0.92 H new ATOM 0 HA ARG A 83 72.836 -6.603 5.839 1.00 1.06 H new ATOM 0 HB2 ARG A 83 70.560 -4.656 5.334 1.00 1.12 H new ATOM 0 HB3 ARG A 83 70.330 -5.850 6.596 1.00 1.12 H new ATOM 0 HG2 ARG A 83 72.637 -5.127 7.525 1.00 1.21 H new ATOM 0 HG3 ARG A 83 72.573 -3.783 6.403 1.00 1.21 H new ATOM 0 HD2 ARG A 83 71.194 -2.632 7.839 1.00 1.42 H new ATOM 0 HD3 ARG A 83 70.007 -3.919 7.764 1.00 1.42 H new ATOM 0 HE ARG A 83 71.961 -5.061 9.408 1.00 1.54 H new ATOM 0 HH11 ARG A 83 71.781 -1.713 9.454 1.00 1.93 H new ATOM 0 HH12 ARG A 83 71.225 -1.572 11.125 1.00 1.93 H new ATOM 0 HH21 ARG A 83 70.613 -4.996 11.473 1.00 2.73 H new ATOM 0 HH22 ARG A 83 70.569 -3.413 12.258 1.00 2.73 H new ATOM 1279 N CYS A 84 70.260 -7.467 3.996 1.00 1.21 N ATOM 1280 CA CYS A 84 69.458 -8.666 3.619 1.00 1.46 C ATOM 1281 C CYS A 84 70.234 -9.529 2.619 1.00 1.52 C ATOM 1282 O CYS A 84 69.847 -10.640 2.314 1.00 1.97 O ATOM 1283 CB CYS A 84 68.192 -8.105 2.972 1.00 1.72 C ATOM 1284 SG CYS A 84 67.039 -9.457 2.629 1.00 2.58 S ATOM 0 H CYS A 84 70.028 -6.613 3.490 1.00 1.21 H new ATOM 0 HA CYS A 84 69.233 -9.300 4.477 1.00 1.46 H new ATOM 0 HB2 CYS A 84 67.726 -7.375 3.633 1.00 1.72 H new ATOM 0 HB3 CYS A 84 68.443 -7.584 2.048 1.00 1.72 H new ATOM 0 HG CYS A 84 67.707 -10.531 2.326 1.00 2.58 H new ATOM 1290 N MET A 85 71.325 -9.029 2.110 1.00 1.31 N ATOM 1291 CA MET A 85 72.123 -9.822 1.132 1.00 1.51 C ATOM 1292 C MET A 85 72.864 -10.953 1.850 1.00 1.66 C ATOM 1293 O MET A 85 73.396 -11.852 1.228 1.00 2.46 O ATOM 1294 CB MET A 85 73.118 -8.829 0.532 1.00 1.47 C ATOM 1295 CG MET A 85 72.384 -7.884 -0.421 1.00 1.57 C ATOM 1296 SD MET A 85 73.486 -7.428 -1.781 1.00 1.89 S ATOM 1297 CE MET A 85 73.074 -5.667 -1.828 1.00 1.57 C ATOM 0 H MET A 85 71.699 -8.106 2.328 1.00 1.31 H new ATOM 0 HA MET A 85 71.498 -10.284 0.368 1.00 1.51 H new ATOM 0 HB2 MET A 85 73.602 -8.259 1.325 1.00 1.47 H new ATOM 0 HB3 MET A 85 73.904 -9.363 -0.002 1.00 1.47 H new ATOM 0 HG2 MET A 85 71.488 -8.367 -0.811 1.00 1.57 H new ATOM 0 HG3 MET A 85 72.059 -6.991 0.113 1.00 1.57 H new ATOM 0 HE1 MET A 85 73.387 -5.245 -2.783 1.00 1.57 H new ATOM 0 HE2 MET A 85 71.997 -5.542 -1.712 1.00 1.57 H new ATOM 0 HE3 MET A 85 73.589 -5.151 -1.017 1.00 1.57 H new