USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 555 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 20 ASN : amide:sc= 2.44 K(o=2.1,f=-0.72) USER MOD Set 1.2: A 24 ASN : amide:sc= -0.35 K(o=2.1,f=1.3) USER MOD Set 2.1: A 14 CYS SG : rot -73:sc= 1 USER MOD Set 2.2: A 17 CYS SG : rot -27:sc= 0.676 USER MOD Set 3.1: A 12 MET CE :methyl 167:sc= 0 (180deg=-0.177) USER MOD Set 3.2: A 13 THR OG1 : rot 180:sc=-0.00398 USER MOD Single : A 2 SER OG : rot -22:sc= 0.721 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0781 USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= 1.86 (180deg=1.65) USER MOD Single : A 5 CYS SG : rot -57:sc= -0.0104 USER MOD Single : A 6 TYR OH : rot 28:sc= 1.22 USER MOD Single : A 8 GLN : amide:sc= 1.84 K(o=1.8,f=-1.5) USER MOD Single : A 10 THR OG1 : rot 44:sc= 0.276 USER MOD Single : A 16 SER OG : rot 34:sc= 0.603 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -171:sc=-0.00928 (180deg=-0.162) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 150:sc=-0.00728 USER MOD Single : A 48 ASN : amide:sc= 0.394 K(o=0.39,f=-0.68) USER MOD Single : A 53 GLN : amide:sc= -0.586 K(o=-0.59,f=-3.8!) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -29:sc= 0.388 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -0.614 13.823 -8.994 1.00 1.97 N ATOM 18 CA SER A 2 -0.820 12.848 -7.941 1.00 1.52 C ATOM 19 C SER A 2 -2.273 12.362 -7.925 1.00 1.59 C ATOM 20 O SER A 2 -3.157 12.985 -8.515 1.00 2.55 O ATOM 21 CB SER A 2 -0.391 13.489 -6.615 1.00 1.61 C ATOM 22 OG SER A 2 -0.675 14.880 -6.650 1.00 2.41 O ATOM 0 HA SER A 2 -0.214 11.958 -8.112 1.00 1.52 H new ATOM 0 HB2 SER A 2 -0.918 13.020 -5.784 1.00 1.61 H new ATOM 0 HB3 SER A 2 0.674 13.328 -6.448 1.00 1.61 H new ATOM 0 HG SER A 2 -0.745 15.176 -7.582 1.00 2.41 H new ATOM 28 N SER A 3 -2.530 11.226 -7.273 1.00 0.74 N ATOM 29 CA SER A 3 -3.854 10.632 -7.144 1.00 0.72 C ATOM 30 C SER A 3 -3.887 9.760 -5.886 1.00 0.52 C ATOM 31 O SER A 3 -2.830 9.455 -5.333 1.00 0.53 O ATOM 32 CB SER A 3 -4.170 9.801 -8.396 1.00 0.94 C ATOM 33 OG SER A 3 -4.101 10.598 -9.563 1.00 1.85 O ATOM 0 H SER A 3 -1.801 10.683 -6.810 1.00 0.74 H new ATOM 0 HA SER A 3 -4.610 11.412 -7.053 1.00 0.72 H new ATOM 0 HB2 SER A 3 -3.466 8.973 -8.475 1.00 0.94 H new ATOM 0 HB3 SER A 3 -5.165 9.366 -8.307 1.00 0.94 H new ATOM 0 HG SER A 3 -4.304 10.047 -10.348 1.00 1.85 H new ATOM 39 N LYS A 4 -5.088 9.370 -5.443 1.00 0.63 N ATOM 40 CA LYS A 4 -5.312 8.455 -4.333 1.00 0.62 C ATOM 41 C LYS A 4 -6.023 7.224 -4.875 1.00 0.63 C ATOM 42 O LYS A 4 -7.052 7.393 -5.526 1.00 0.98 O ATOM 43 CB LYS A 4 -6.194 9.141 -3.282 1.00 0.93 C ATOM 44 CG LYS A 4 -6.436 8.260 -2.041 1.00 1.18 C ATOM 45 CD LYS A 4 -7.926 8.094 -1.692 1.00 2.13 C ATOM 46 CE LYS A 4 -8.646 6.913 -2.369 1.00 3.41 C ATOM 47 NZ LYS A 4 -9.096 7.178 -3.755 1.00 4.70 N ATOM 0 H LYS A 4 -5.956 9.698 -5.866 1.00 0.63 H new ATOM 0 HA LYS A 4 -4.366 8.171 -3.871 1.00 0.62 H new ATOM 0 HB2 LYS A 4 -5.724 10.075 -2.973 1.00 0.93 H new ATOM 0 HB3 LYS A 4 -7.153 9.400 -3.731 1.00 0.93 H new ATOM 0 HG2 LYS A 4 -5.998 7.276 -2.212 1.00 1.18 H new ATOM 0 HG3 LYS A 4 -5.917 8.696 -1.188 1.00 1.18 H new ATOM 0 HD2 LYS A 4 -8.016 7.979 -0.612 1.00 2.13 H new ATOM 0 HD3 LYS A 4 -8.447 9.014 -1.959 1.00 2.13 H new ATOM 0 HE2 LYS A 4 -7.977 6.053 -2.376 1.00 3.41 H new ATOM 0 HE3 LYS A 4 -9.512 6.638 -1.766 1.00 3.41 H new ATOM 0 HZ1 LYS A 4 -9.351 6.281 -4.215 1.00 4.70 H new ATOM 0 HZ2 LYS A 4 -9.925 7.805 -3.737 1.00 4.70 H new ATOM 0 HZ3 LYS A 4 -8.328 7.635 -4.288 1.00 4.70 H new ATOM 61 N CYS A 5 -5.551 6.016 -4.564 1.00 0.64 N ATOM 62 CA CYS A 5 -6.239 4.772 -4.911 1.00 0.66 C ATOM 63 C CYS A 5 -6.500 3.966 -3.643 1.00 0.68 C ATOM 64 O CYS A 5 -5.710 4.021 -2.702 1.00 0.69 O ATOM 65 CB CYS A 5 -5.395 3.959 -5.890 1.00 0.68 C ATOM 66 SG CYS A 5 -6.252 2.445 -6.370 1.00 1.33 S ATOM 0 H CYS A 5 -4.675 5.872 -4.061 1.00 0.64 H new ATOM 0 HA CYS A 5 -7.190 5.007 -5.388 1.00 0.66 H new ATOM 0 HB2 CYS A 5 -5.180 4.557 -6.776 1.00 0.68 H new ATOM 0 HB3 CYS A 5 -4.437 3.711 -5.433 1.00 0.68 H new ATOM 0 HG CYS A 5 -6.540 1.754 -5.307 1.00 1.33 H new ATOM 72 N TYR A 6 -7.619 3.244 -3.619 1.00 0.82 N ATOM 73 CA TYR A 6 -7.966 2.298 -2.570 1.00 0.89 C ATOM 74 C TYR A 6 -7.469 0.911 -2.969 1.00 0.88 C ATOM 75 O TYR A 6 -7.666 0.440 -4.089 1.00 0.99 O ATOM 76 CB TYR A 6 -9.476 2.273 -2.289 1.00 0.98 C ATOM 77 CG TYR A 6 -9.927 3.156 -1.147 1.00 0.79 C ATOM 78 CD1 TYR A 6 -9.533 2.839 0.166 1.00 2.10 C ATOM 79 CD2 TYR A 6 -10.808 4.230 -1.373 1.00 1.86 C ATOM 80 CE1 TYR A 6 -9.912 3.670 1.232 1.00 2.53 C ATOM 81 CE2 TYR A 6 -11.203 5.049 -0.300 1.00 1.83 C ATOM 82 CZ TYR A 6 -10.702 4.806 0.991 1.00 1.57 C ATOM 83 OH TYR A 6 -10.985 5.673 2.002 1.00 2.11 O ATOM 0 H TYR A 6 -8.326 3.306 -4.351 1.00 0.82 H new ATOM 0 HA TYR A 6 -7.482 2.615 -1.646 1.00 0.89 H new ATOM 0 HB2 TYR A 6 -10.004 2.576 -3.193 1.00 0.98 H new ATOM 0 HB3 TYR A 6 -9.774 1.247 -2.075 1.00 0.98 H new ATOM 0 HD1 TYR A 6 -8.939 1.957 0.354 1.00 2.10 H new ATOM 0 HD2 TYR A 6 -11.180 4.425 -2.368 1.00 1.86 H new ATOM 0 HE1 TYR A 6 -9.596 3.436 2.238 1.00 2.53 H new ATOM 0 HE2 TYR A 6 -11.891 5.864 -0.468 1.00 1.83 H new ATOM 0 HH TYR A 6 -10.267 5.644 2.668 1.00 2.11 H new ATOM 93 N ILE A 7 -6.822 0.263 -2.012 1.00 0.84 N ATOM 94 CA ILE A 7 -6.262 -1.067 -2.085 1.00 0.80 C ATOM 95 C ILE A 7 -6.916 -1.805 -0.910 1.00 1.02 C ATOM 96 O ILE A 7 -7.297 -1.185 0.084 1.00 1.60 O ATOM 97 CB ILE A 7 -4.714 -1.001 -1.969 1.00 0.75 C ATOM 98 CG1 ILE A 7 -4.071 0.289 -2.525 1.00 1.14 C ATOM 99 CG2 ILE A 7 -4.033 -2.211 -2.634 1.00 0.70 C ATOM 100 CD1 ILE A 7 -4.140 0.400 -4.051 1.00 2.31 C ATOM 0 H ILE A 7 -6.666 0.690 -1.099 1.00 0.84 H new ATOM 0 HA ILE A 7 -6.455 -1.577 -3.029 1.00 0.80 H new ATOM 0 HB ILE A 7 -4.543 -1.009 -0.893 1.00 0.75 H new ATOM 0 HG12 ILE A 7 -4.569 1.152 -2.083 1.00 1.14 H new ATOM 0 HG13 ILE A 7 -3.027 0.328 -2.213 1.00 1.14 H new ATOM 0 HG21 ILE A 7 -2.952 -2.123 -2.529 1.00 0.70 H new ATOM 0 HG22 ILE A 7 -4.371 -3.129 -2.153 1.00 0.70 H new ATOM 0 HG23 ILE A 7 -4.294 -2.239 -3.692 1.00 0.70 H new ATOM 0 HD11 ILE A 7 -3.670 1.330 -4.370 1.00 2.31 H new ATOM 0 HD12 ILE A 7 -3.617 -0.444 -4.501 1.00 2.31 H new ATOM 0 HD13 ILE A 7 -5.182 0.393 -4.370 1.00 2.31 H new ATOM 112 N GLN A 8 -7.084 -3.118 -0.991 1.00 0.71 N ATOM 113 CA GLN A 8 -7.465 -3.934 0.121 1.00 0.81 C ATOM 114 C GLN A 8 -6.276 -4.870 0.301 1.00 0.80 C ATOM 115 O GLN A 8 -5.857 -5.526 -0.656 1.00 0.90 O ATOM 116 CB GLN A 8 -8.778 -4.618 -0.245 1.00 1.04 C ATOM 117 CG GLN A 8 -9.068 -5.722 0.753 1.00 1.47 C ATOM 118 CD GLN A 8 -9.278 -5.152 2.158 1.00 2.27 C ATOM 119 OE1 GLN A 8 -10.230 -4.407 2.373 1.00 2.73 O ATOM 120 NE2 GLN A 8 -8.394 -5.439 3.109 1.00 3.27 N ATOM 0 H GLN A 8 -6.953 -3.643 -1.856 1.00 0.71 H new ATOM 0 HA GLN A 8 -7.659 -3.419 1.062 1.00 0.81 H new ATOM 0 HB2 GLN A 8 -9.591 -3.892 -0.246 1.00 1.04 H new ATOM 0 HB3 GLN A 8 -8.717 -5.030 -1.252 1.00 1.04 H new ATOM 0 HG2 GLN A 8 -9.957 -6.272 0.444 1.00 1.47 H new ATOM 0 HG3 GLN A 8 -8.241 -6.432 0.765 1.00 1.47 H new ATOM 0 HE21 GLN A 8 -7.611 -6.061 2.907 1.00 3.27 H new ATOM 0 HE22 GLN A 8 -8.499 -5.037 4.041 1.00 3.27 H new ATOM 129 N VAL A 9 -5.716 -4.895 1.509 1.00 0.85 N ATOM 130 CA VAL A 9 -4.594 -5.761 1.823 1.00 0.84 C ATOM 131 C VAL A 9 -5.132 -7.110 2.282 1.00 0.93 C ATOM 132 O VAL A 9 -6.138 -7.166 2.992 1.00 1.23 O ATOM 133 CB VAL A 9 -3.656 -5.119 2.861 1.00 0.93 C ATOM 134 CG1 VAL A 9 -2.818 -4.024 2.191 1.00 1.80 C ATOM 135 CG2 VAL A 9 -4.393 -4.545 4.078 1.00 2.41 C ATOM 0 H VAL A 9 -6.029 -4.317 2.289 1.00 0.85 H new ATOM 0 HA VAL A 9 -3.987 -5.911 0.930 1.00 0.84 H new ATOM 0 HB VAL A 9 -3.013 -5.914 3.238 1.00 0.93 H new ATOM 0 HG11 VAL A 9 -2.155 -3.571 2.928 1.00 1.80 H new ATOM 0 HG12 VAL A 9 -2.224 -4.461 1.388 1.00 1.80 H new ATOM 0 HG13 VAL A 9 -3.479 -3.261 1.780 1.00 1.80 H new ATOM 0 HG21 VAL A 9 -3.671 -4.109 4.768 1.00 2.41 H new ATOM 0 HG22 VAL A 9 -5.092 -3.776 3.750 1.00 2.41 H new ATOM 0 HG23 VAL A 9 -4.940 -5.342 4.581 1.00 2.41 H new ATOM 145 N THR A 10 -4.463 -8.185 1.876 1.00 1.06 N ATOM 146 CA THR A 10 -4.634 -9.510 2.435 1.00 1.20 C ATOM 147 C THR A 10 -3.408 -9.735 3.318 1.00 1.41 C ATOM 148 O THR A 10 -2.387 -10.262 2.866 1.00 2.14 O ATOM 149 CB THR A 10 -4.786 -10.543 1.312 1.00 1.56 C ATOM 150 OG1 THR A 10 -3.678 -10.465 0.449 1.00 2.64 O ATOM 151 CG2 THR A 10 -6.059 -10.295 0.497 1.00 2.98 C ATOM 0 H THR A 10 -3.770 -8.151 1.129 1.00 1.06 H new ATOM 0 HA THR A 10 -5.541 -9.614 3.031 1.00 1.20 H new ATOM 0 HB THR A 10 -4.848 -11.530 1.770 1.00 1.56 H new ATOM 0 HG1 THR A 10 -2.857 -10.384 0.978 1.00 2.64 H new ATOM 0 HG21 THR A 10 -6.138 -11.044 -0.291 1.00 2.98 H new ATOM 0 HG22 THR A 10 -6.929 -10.363 1.151 1.00 2.98 H new ATOM 0 HG23 THR A 10 -6.018 -9.301 0.051 1.00 2.98 H new ATOM 159 N GLY A 11 -3.525 -9.245 4.551 1.00 1.28 N ATOM 160 CA GLY A 11 -2.531 -9.277 5.610 1.00 1.63 C ATOM 161 C GLY A 11 -3.161 -8.532 6.778 1.00 1.40 C ATOM 162 O GLY A 11 -3.570 -9.155 7.755 1.00 2.36 O ATOM 0 H GLY A 11 -4.382 -8.782 4.853 1.00 1.28 H new ATOM 0 HA2 GLY A 11 -2.283 -10.302 5.886 1.00 1.63 H new ATOM 0 HA3 GLY A 11 -1.604 -8.799 5.293 1.00 1.63 H new ATOM 166 N MET A 12 -3.347 -7.217 6.606 1.00 1.52 N ATOM 167 CA MET A 12 -4.173 -6.337 7.426 1.00 1.57 C ATOM 168 C MET A 12 -3.568 -6.090 8.810 1.00 1.92 C ATOM 169 O MET A 12 -3.259 -4.955 9.166 1.00 2.50 O ATOM 170 CB MET A 12 -5.606 -6.884 7.496 1.00 1.90 C ATOM 171 CG MET A 12 -6.623 -5.753 7.650 1.00 1.81 C ATOM 172 SD MET A 12 -8.307 -6.303 8.026 1.00 2.59 S ATOM 173 CE MET A 12 -8.106 -6.881 9.727 1.00 3.85 C ATOM 0 H MET A 12 -2.895 -6.714 5.843 1.00 1.52 H new ATOM 0 HA MET A 12 -4.208 -5.357 6.950 1.00 1.57 H new ATOM 0 HB2 MET A 12 -5.825 -7.453 6.593 1.00 1.90 H new ATOM 0 HB3 MET A 12 -5.694 -7.573 8.336 1.00 1.90 H new ATOM 0 HG2 MET A 12 -6.287 -5.085 8.443 1.00 1.81 H new ATOM 0 HG3 MET A 12 -6.642 -5.170 6.729 1.00 1.81 H new ATOM 0 HE1 MET A 12 -9.087 -7.034 10.178 1.00 3.85 H new ATOM 0 HE2 MET A 12 -7.555 -7.822 9.729 1.00 3.85 H new ATOM 0 HE3 MET A 12 -7.555 -6.136 10.302 1.00 3.85 H new ATOM 183 N THR A 13 -3.416 -7.168 9.577 1.00 2.15 N ATOM 184 CA THR A 13 -2.758 -7.208 10.866 1.00 2.68 C ATOM 185 C THR A 13 -2.002 -8.537 10.938 1.00 2.24 C ATOM 186 O THR A 13 -2.148 -9.269 11.915 1.00 2.72 O ATOM 187 CB THR A 13 -3.803 -7.073 11.993 1.00 3.52 C ATOM 188 OG1 THR A 13 -4.773 -6.099 11.665 1.00 4.14 O ATOM 189 CG2 THR A 13 -3.149 -6.658 13.317 1.00 4.80 C ATOM 0 H THR A 13 -3.770 -8.082 9.294 1.00 2.15 H new ATOM 0 HA THR A 13 -2.058 -6.382 10.990 1.00 2.68 H new ATOM 0 HB THR A 13 -4.271 -8.051 12.104 1.00 3.52 H new ATOM 0 HG1 THR A 13 -5.427 -6.030 12.392 1.00 4.14 H new ATOM 0 HG21 THR A 13 -3.913 -6.572 14.089 1.00 4.80 H new ATOM 0 HG22 THR A 13 -2.417 -7.410 13.613 1.00 4.80 H new ATOM 0 HG23 THR A 13 -2.651 -5.697 13.191 1.00 4.80 H new ATOM 197 N CYS A 14 -1.218 -8.864 9.900 1.00 1.92 N ATOM 198 CA CYS A 14 -0.406 -10.075 9.889 1.00 2.12 C ATOM 199 C CYS A 14 0.473 -10.102 11.146 1.00 2.53 C ATOM 200 O CYS A 14 0.423 -11.055 11.921 1.00 3.47 O ATOM 201 CB CYS A 14 0.376 -10.208 8.571 1.00 2.38 C ATOM 202 SG CYS A 14 1.265 -8.694 8.107 1.00 2.78 S ATOM 0 H CYS A 14 -1.134 -8.298 9.056 1.00 1.92 H new ATOM 0 HA CYS A 14 -1.044 -10.958 9.925 1.00 2.12 H new ATOM 0 HB2 CYS A 14 1.090 -11.027 8.661 1.00 2.38 H new ATOM 0 HB3 CYS A 14 -0.315 -10.474 7.772 1.00 2.38 H new ATOM 0 HG CYS A 14 0.414 -7.798 7.703 1.00 2.78 H new ATOM 207 N ALA A 15 1.196 -9.001 11.373 1.00 2.67 N ATOM 208 CA ALA A 15 1.734 -8.549 12.646 1.00 2.76 C ATOM 209 C ALA A 15 2.549 -7.293 12.374 1.00 2.36 C ATOM 210 O ALA A 15 3.486 -7.321 11.579 1.00 3.27 O ATOM 211 CB ALA A 15 2.602 -9.611 13.334 1.00 3.54 C ATOM 0 H ALA A 15 1.434 -8.362 10.614 1.00 2.67 H new ATOM 0 HA ALA A 15 0.909 -8.349 13.330 1.00 2.76 H new ATOM 0 HB1 ALA A 15 2.976 -9.218 14.279 1.00 3.54 H new ATOM 0 HB2 ALA A 15 2.004 -10.503 13.523 1.00 3.54 H new ATOM 0 HB3 ALA A 15 3.443 -9.867 12.689 1.00 3.54 H new ATOM 217 N SER A 16 2.169 -6.172 12.997 1.00 1.52 N ATOM 218 CA SER A 16 2.726 -4.856 12.696 1.00 1.35 C ATOM 219 C SER A 16 2.727 -4.590 11.181 1.00 1.34 C ATOM 220 O SER A 16 3.640 -3.964 10.651 1.00 1.75 O ATOM 221 CB SER A 16 4.099 -4.676 13.370 1.00 1.92 C ATOM 222 OG SER A 16 4.922 -5.824 13.289 1.00 3.07 O ATOM 0 H SER A 16 1.460 -6.157 13.730 1.00 1.52 H new ATOM 0 HA SER A 16 2.084 -4.087 13.125 1.00 1.35 H new ATOM 0 HB2 SER A 16 4.615 -3.835 12.906 1.00 1.92 H new ATOM 0 HB3 SER A 16 3.949 -4.419 14.419 1.00 1.92 H new ATOM 0 HG SER A 16 4.761 -6.283 12.438 1.00 3.07 H new ATOM 228 N CYS A 17 1.656 -5.034 10.514 1.00 1.38 N ATOM 229 CA CYS A 17 1.424 -4.936 9.075 1.00 1.74 C ATOM 230 C CYS A 17 1.543 -3.471 8.674 1.00 1.41 C ATOM 231 O CYS A 17 2.185 -3.094 7.694 1.00 1.52 O ATOM 232 CB CYS A 17 0.005 -5.467 8.804 1.00 2.24 C ATOM 233 SG CYS A 17 -0.356 -5.691 7.040 1.00 4.01 S ATOM 0 H CYS A 17 0.885 -5.498 10.995 1.00 1.38 H new ATOM 0 HA CYS A 17 2.146 -5.515 8.500 1.00 1.74 H new ATOM 0 HB2 CYS A 17 -0.122 -6.420 9.317 1.00 2.24 H new ATOM 0 HB3 CYS A 17 -0.721 -4.776 9.231 1.00 2.24 H new ATOM 0 HG CYS A 17 0.370 -4.870 6.341 1.00 4.01 H new ATOM 238 N VAL A 18 0.915 -2.635 9.493 1.00 1.13 N ATOM 239 CA VAL A 18 0.745 -1.235 9.216 1.00 1.05 C ATOM 240 C VAL A 18 2.072 -0.491 9.327 1.00 0.83 C ATOM 241 O VAL A 18 2.485 0.211 8.411 1.00 0.78 O ATOM 242 CB VAL A 18 -0.377 -0.694 10.105 1.00 1.17 C ATOM 243 CG1 VAL A 18 -1.621 -1.584 9.984 1.00 2.12 C ATOM 244 CG2 VAL A 18 -0.076 -0.525 11.592 1.00 2.23 C ATOM 0 H VAL A 18 0.507 -2.928 10.381 1.00 1.13 H new ATOM 0 HA VAL A 18 0.434 -1.073 8.184 1.00 1.05 H new ATOM 0 HB VAL A 18 -0.524 0.315 9.720 1.00 1.17 H new ATOM 0 HG11 VAL A 18 -2.413 -1.190 10.621 1.00 2.12 H new ATOM 0 HG12 VAL A 18 -1.960 -1.596 8.948 1.00 2.12 H new ATOM 0 HG13 VAL A 18 -1.374 -2.598 10.297 1.00 2.12 H new ATOM 0 HG21 VAL A 18 -0.958 -0.135 12.100 1.00 2.23 H new ATOM 0 HG22 VAL A 18 0.192 -1.491 12.021 1.00 2.23 H new ATOM 0 HG23 VAL A 18 0.753 0.171 11.719 1.00 2.23 H new ATOM 254 N ALA A 19 2.772 -0.717 10.433 1.00 0.79 N ATOM 255 CA ALA A 19 4.137 -0.253 10.641 1.00 0.71 C ATOM 256 C ALA A 19 5.058 -0.746 9.517 1.00 0.75 C ATOM 257 O ALA A 19 5.900 0.004 9.019 1.00 0.75 O ATOM 258 CB ALA A 19 4.623 -0.746 12.002 1.00 0.86 C ATOM 0 H ALA A 19 2.398 -1.239 11.226 1.00 0.79 H new ATOM 0 HA ALA A 19 4.158 0.837 10.623 1.00 0.71 H new ATOM 0 HB1 ALA A 19 5.645 -0.405 12.169 1.00 0.86 H new ATOM 0 HB2 ALA A 19 3.976 -0.350 12.785 1.00 0.86 H new ATOM 0 HB3 ALA A 19 4.596 -1.835 12.025 1.00 0.86 H new ATOM 264 N ASN A 20 4.892 -2.011 9.105 1.00 0.96 N ATOM 265 CA ASN A 20 5.580 -2.563 7.942 1.00 1.16 C ATOM 266 C ASN A 20 5.287 -1.676 6.739 1.00 0.99 C ATOM 267 O ASN A 20 6.208 -1.215 6.074 1.00 0.98 O ATOM 268 CB ASN A 20 5.202 -4.042 7.714 1.00 1.50 C ATOM 269 CG ASN A 20 4.989 -4.428 6.248 1.00 1.89 C ATOM 270 OD1 ASN A 20 5.893 -4.917 5.577 1.00 2.19 O ATOM 271 ND2 ASN A 20 3.794 -4.212 5.712 1.00 2.03 N ATOM 0 H ASN A 20 4.276 -2.676 9.573 1.00 0.96 H new ATOM 0 HA ASN A 20 6.657 -2.566 8.109 1.00 1.16 H new ATOM 0 HB2 ASN A 20 5.987 -4.672 8.131 1.00 1.50 H new ATOM 0 HB3 ASN A 20 4.290 -4.260 8.269 1.00 1.50 H new ATOM 0 HD21 ASN A 20 3.622 -4.453 4.736 1.00 2.03 H new ATOM 0 HD22 ASN A 20 3.048 -3.805 6.276 1.00 2.03 H new ATOM 278 N ILE A 21 4.011 -1.387 6.489 1.00 0.99 N ATOM 279 CA ILE A 21 3.607 -0.524 5.399 1.00 1.06 C ATOM 280 C ILE A 21 4.301 0.831 5.520 1.00 0.79 C ATOM 281 O ILE A 21 4.899 1.270 4.546 1.00 0.81 O ATOM 282 CB ILE A 21 2.072 -0.463 5.284 1.00 1.41 C ATOM 283 CG1 ILE A 21 1.611 -1.602 4.358 1.00 1.87 C ATOM 284 CG2 ILE A 21 1.576 0.916 4.826 1.00 1.85 C ATOM 285 CD1 ILE A 21 0.114 -1.886 4.470 1.00 2.46 C ATOM 0 H ILE A 21 3.234 -1.749 7.041 1.00 0.99 H new ATOM 0 HA ILE A 21 3.937 -0.940 4.447 1.00 1.06 H new ATOM 0 HB ILE A 21 1.626 -0.604 6.269 1.00 1.41 H new ATOM 0 HG12 ILE A 21 1.851 -1.345 3.326 1.00 1.87 H new ATOM 0 HG13 ILE A 21 2.167 -2.508 4.599 1.00 1.87 H new ATOM 0 HG21 ILE A 21 0.488 0.908 4.760 1.00 1.85 H new ATOM 0 HG22 ILE A 21 1.891 1.673 5.544 1.00 1.85 H new ATOM 0 HG23 ILE A 21 1.997 1.147 3.848 1.00 1.85 H new ATOM 0 HD11 ILE A 21 -0.154 -2.698 3.794 1.00 2.46 H new ATOM 0 HD12 ILE A 21 -0.127 -2.172 5.494 1.00 2.46 H new ATOM 0 HD13 ILE A 21 -0.447 -0.991 4.202 1.00 2.46 H new ATOM 297 N GLU A 22 4.245 1.493 6.677 1.00 0.73 N ATOM 298 CA GLU A 22 4.936 2.758 6.867 1.00 0.83 C ATOM 299 C GLU A 22 6.393 2.632 6.421 1.00 0.77 C ATOM 300 O GLU A 22 6.826 3.364 5.534 1.00 0.90 O ATOM 301 CB GLU A 22 4.825 3.219 8.321 1.00 1.05 C ATOM 302 CG GLU A 22 3.395 3.638 8.672 1.00 1.30 C ATOM 303 CD GLU A 22 3.313 3.961 10.156 1.00 2.20 C ATOM 304 OE1 GLU A 22 3.958 4.960 10.539 1.00 3.42 O ATOM 305 OE2 GLU A 22 2.653 3.182 10.875 1.00 2.97 O ATOM 0 H GLU A 22 3.727 1.169 7.494 1.00 0.73 H new ATOM 0 HA GLU A 22 4.462 3.520 6.249 1.00 0.83 H new ATOM 0 HB2 GLU A 22 5.142 2.414 8.984 1.00 1.05 H new ATOM 0 HB3 GLU A 22 5.502 4.056 8.490 1.00 1.05 H new ATOM 0 HG2 GLU A 22 3.104 4.508 8.083 1.00 1.30 H new ATOM 0 HG3 GLU A 22 2.698 2.837 8.424 1.00 1.30 H new ATOM 312 N ARG A 23 7.132 1.684 7.005 1.00 0.80 N ATOM 313 CA ARG A 23 8.520 1.428 6.638 1.00 1.11 C ATOM 314 C ARG A 23 8.683 1.235 5.127 1.00 1.07 C ATOM 315 O ARG A 23 9.599 1.800 4.533 1.00 1.26 O ATOM 316 CB ARG A 23 9.051 0.203 7.398 1.00 1.36 C ATOM 317 CG ARG A 23 9.363 0.499 8.869 1.00 1.68 C ATOM 318 CD ARG A 23 10.704 1.233 9.017 1.00 2.31 C ATOM 319 NE ARG A 23 11.045 1.448 10.432 1.00 2.90 N ATOM 320 CZ ARG A 23 12.203 1.974 10.864 1.00 3.73 C ATOM 321 NH1 ARG A 23 13.130 2.359 9.979 1.00 4.54 N ATOM 322 NH2 ARG A 23 12.429 2.113 12.176 1.00 4.48 N ATOM 0 H ARG A 23 6.781 1.075 7.744 1.00 0.80 H new ATOM 0 HA ARG A 23 9.105 2.304 6.919 1.00 1.11 H new ATOM 0 HB2 ARG A 23 8.315 -0.599 7.343 1.00 1.36 H new ATOM 0 HB3 ARG A 23 9.954 -0.159 6.907 1.00 1.36 H new ATOM 0 HG2 ARG A 23 8.565 1.105 9.298 1.00 1.68 H new ATOM 0 HG3 ARG A 23 9.392 -0.434 9.432 1.00 1.68 H new ATOM 0 HD2 ARG A 23 11.492 0.655 8.535 1.00 2.31 H new ATOM 0 HD3 ARG A 23 10.654 2.193 8.503 1.00 2.31 H new ATOM 0 HE ARG A 23 10.355 1.179 11.133 1.00 2.90 H new ATOM 0 HH11 ARG A 23 12.956 2.253 8.980 1.00 4.54 H new ATOM 0 HH12 ARG A 23 14.010 2.759 10.304 1.00 4.54 H new ATOM 0 HH21 ARG A 23 11.721 1.819 12.849 1.00 4.48 H new ATOM 0 HH22 ARG A 23 13.309 2.513 12.502 1.00 4.48 H new ATOM 336 N ASN A 24 7.821 0.426 4.510 1.00 0.99 N ATOM 337 CA ASN A 24 7.929 0.101 3.096 1.00 1.17 C ATOM 338 C ASN A 24 7.658 1.350 2.261 1.00 1.03 C ATOM 339 O ASN A 24 8.513 1.838 1.533 1.00 1.24 O ATOM 340 CB ASN A 24 6.892 -0.959 2.694 1.00 1.46 C ATOM 341 CG ASN A 24 6.929 -2.271 3.457 1.00 2.07 C ATOM 342 OD1 ASN A 24 7.967 -2.703 3.946 1.00 3.10 O ATOM 343 ND2 ASN A 24 5.760 -2.905 3.535 1.00 2.40 N ATOM 0 H ASN A 24 7.032 -0.019 4.979 1.00 0.99 H new ATOM 0 HA ASN A 24 8.935 -0.281 2.919 1.00 1.17 H new ATOM 0 HB2 ASN A 24 5.899 -0.525 2.811 1.00 1.46 H new ATOM 0 HB3 ASN A 24 7.022 -1.178 1.634 1.00 1.46 H new ATOM 0 HD21 ASN A 24 5.696 -3.799 4.022 1.00 2.40 H new ATOM 0 HD22 ASN A 24 4.929 -2.496 3.108 1.00 2.40 H new ATOM 350 N LEU A 25 6.437 1.872 2.349 1.00 0.81 N ATOM 351 CA LEU A 25 5.905 2.850 1.438 1.00 0.76 C ATOM 352 C LEU A 25 6.592 4.206 1.651 1.00 0.85 C ATOM 353 O LEU A 25 6.797 4.946 0.690 1.00 1.12 O ATOM 354 CB LEU A 25 4.365 2.799 1.562 1.00 0.78 C ATOM 355 CG LEU A 25 3.702 1.600 0.825 1.00 1.13 C ATOM 356 CD1 LEU A 25 4.594 0.577 0.107 1.00 1.47 C ATOM 357 CD2 LEU A 25 2.898 0.725 1.784 1.00 2.34 C ATOM 0 H LEU A 25 5.780 1.610 3.084 1.00 0.81 H new ATOM 0 HA LEU A 25 6.125 2.640 0.391 1.00 0.76 H new ATOM 0 HB2 LEU A 25 4.099 2.753 2.618 1.00 0.78 H new ATOM 0 HB3 LEU A 25 3.950 3.727 1.168 1.00 0.78 H new ATOM 0 HG LEU A 25 3.135 2.153 0.076 1.00 1.13 H new ATOM 0 HD11 LEU A 25 3.971 -0.190 -0.352 1.00 1.47 H new ATOM 0 HD12 LEU A 25 5.177 1.081 -0.664 1.00 1.47 H new ATOM 0 HD13 LEU A 25 5.268 0.113 0.827 1.00 1.47 H new ATOM 0 HD21 LEU A 25 2.450 -0.102 1.233 1.00 2.34 H new ATOM 0 HD22 LEU A 25 3.558 0.331 2.557 1.00 2.34 H new ATOM 0 HD23 LEU A 25 2.112 1.321 2.248 1.00 2.34 H new ATOM 369 N ARG A 26 7.061 4.487 2.872 1.00 0.91 N ATOM 370 CA ARG A 26 7.949 5.602 3.192 1.00 1.37 C ATOM 371 C ARG A 26 9.383 5.494 2.671 1.00 2.09 C ATOM 372 O ARG A 26 10.201 6.369 2.944 1.00 2.94 O ATOM 373 CB ARG A 26 7.747 6.192 4.584 1.00 1.33 C ATOM 374 CG ARG A 26 6.331 6.785 4.582 1.00 2.27 C ATOM 375 CD ARG A 26 5.875 7.248 5.965 1.00 3.41 C ATOM 376 NE ARG A 26 6.799 8.269 6.484 1.00 4.11 N ATOM 377 CZ ARG A 26 7.780 8.077 7.381 1.00 4.67 C ATOM 378 NH1 ARG A 26 7.954 6.882 7.958 1.00 4.79 N ATOM 379 NH2 ARG A 26 8.595 9.091 7.691 1.00 5.77 N ATOM 0 H ARG A 26 6.823 3.924 3.689 1.00 0.91 H new ATOM 0 HA ARG A 26 7.592 6.410 2.554 1.00 1.37 H new ATOM 0 HB2 ARG A 26 7.850 5.426 5.353 1.00 1.33 H new ATOM 0 HB3 ARG A 26 8.492 6.959 4.796 1.00 1.33 H new ATOM 0 HG2 ARG A 26 6.298 7.629 3.893 1.00 2.27 H new ATOM 0 HG3 ARG A 26 5.631 6.039 4.206 1.00 2.27 H new ATOM 0 HD2 ARG A 26 4.866 7.655 5.907 1.00 3.41 H new ATOM 0 HD3 ARG A 26 5.837 6.399 6.648 1.00 3.41 H new ATOM 0 HE ARG A 26 6.683 9.217 6.127 1.00 4.11 H new ATOM 0 HH11 ARG A 26 7.338 6.105 7.718 1.00 4.79 H new ATOM 0 HH12 ARG A 26 8.703 6.748 8.638 1.00 4.79 H new ATOM 0 HH21 ARG A 26 8.469 10.001 7.247 1.00 5.77 H new ATOM 0 HH22 ARG A 26 9.343 8.955 8.371 1.00 5.77 H new ATOM 393 N ARG A 27 9.734 4.419 1.961 1.00 2.15 N ATOM 394 CA ARG A 27 10.679 4.609 0.854 1.00 2.55 C ATOM 395 C ARG A 27 10.433 5.924 0.092 1.00 2.11 C ATOM 396 O ARG A 27 11.380 6.546 -0.382 1.00 2.69 O ATOM 397 CB ARG A 27 10.571 3.453 -0.139 1.00 3.24 C ATOM 398 CG ARG A 27 11.160 2.163 0.437 1.00 3.66 C ATOM 399 CD ARG A 27 12.527 1.852 -0.174 1.00 4.41 C ATOM 400 NE ARG A 27 12.995 0.530 0.274 1.00 5.47 N ATOM 401 CZ ARG A 27 13.640 -0.378 -0.477 1.00 6.65 C ATOM 402 NH1 ARG A 27 13.973 -0.105 -1.743 1.00 6.89 N ATOM 403 NH2 ARG A 27 13.952 -1.566 0.055 1.00 7.92 N ATOM 0 H ARG A 27 9.405 3.466 2.115 1.00 2.15 H new ATOM 0 HA ARG A 27 11.674 4.645 1.299 1.00 2.55 H new ATOM 0 HB2 ARG A 27 9.525 3.292 -0.400 1.00 3.24 H new ATOM 0 HB3 ARG A 27 11.093 3.713 -1.060 1.00 3.24 H new ATOM 0 HG2 ARG A 27 11.256 2.256 1.519 1.00 3.66 H new ATOM 0 HG3 ARG A 27 10.478 1.334 0.248 1.00 3.66 H new ATOM 0 HD2 ARG A 27 12.461 1.873 -1.262 1.00 4.41 H new ATOM 0 HD3 ARG A 27 13.246 2.618 0.116 1.00 4.41 H new ATOM 0 HE ARG A 27 12.812 0.280 1.246 1.00 5.47 H new ATOM 0 HH11 ARG A 27 13.737 0.801 -2.148 1.00 6.89 H new ATOM 0 HH12 ARG A 27 14.463 -0.803 -2.303 1.00 6.89 H new ATOM 0 HH21 ARG A 27 13.700 -1.774 1.021 1.00 7.92 H new ATOM 0 HH22 ARG A 27 14.442 -2.263 -0.506 1.00 7.92 H new ATOM 417 N GLU A 28 9.159 6.310 -0.049 1.00 1.84 N ATOM 418 CA GLU A 28 8.695 7.491 -0.763 1.00 2.81 C ATOM 419 C GLU A 28 8.915 7.267 -2.257 1.00 1.94 C ATOM 420 O GLU A 28 9.331 8.158 -2.996 1.00 2.92 O ATOM 421 CB GLU A 28 9.294 8.803 -0.218 1.00 4.78 C ATOM 422 CG GLU A 28 9.299 8.872 1.324 1.00 6.01 C ATOM 423 CD GLU A 28 8.573 10.069 1.931 1.00 7.86 C ATOM 424 OE1 GLU A 28 8.688 11.172 1.354 1.00 8.69 O ATOM 425 OE2 GLU A 28 7.928 9.858 2.987 1.00 8.67 O ATOM 0 H GLU A 28 8.390 5.775 0.355 1.00 1.84 H new ATOM 0 HA GLU A 28 7.627 7.625 -0.594 1.00 2.81 H new ATOM 0 HB2 GLU A 28 10.315 8.909 -0.584 1.00 4.78 H new ATOM 0 HB3 GLU A 28 8.726 9.646 -0.612 1.00 4.78 H new ATOM 0 HG2 GLU A 28 8.846 7.960 1.712 1.00 6.01 H new ATOM 0 HG3 GLU A 28 10.334 8.885 1.666 1.00 6.01 H new ATOM 432 N GLU A 29 8.567 6.052 -2.690 1.00 1.90 N ATOM 433 CA GLU A 29 8.643 5.558 -4.057 1.00 2.25 C ATOM 434 C GLU A 29 7.515 6.207 -4.883 1.00 1.72 C ATOM 435 O GLU A 29 6.633 5.540 -5.418 1.00 2.20 O ATOM 436 CB GLU A 29 8.565 4.016 -3.998 1.00 3.66 C ATOM 437 CG GLU A 29 9.590 3.319 -4.902 1.00 4.21 C ATOM 438 CD GLU A 29 10.975 3.251 -4.260 1.00 4.55 C ATOM 439 OE1 GLU A 29 11.164 2.368 -3.392 1.00 5.20 O ATOM 440 OE2 GLU A 29 11.822 4.085 -4.643 1.00 4.74 O ATOM 0 H GLU A 29 8.202 5.347 -2.050 1.00 1.90 H new ATOM 0 HA GLU A 29 9.577 5.824 -4.551 1.00 2.25 H new ATOM 0 HB2 GLU A 29 8.719 3.691 -2.969 1.00 3.66 H new ATOM 0 HB3 GLU A 29 7.563 3.699 -4.286 1.00 3.66 H new ATOM 0 HG2 GLU A 29 9.246 2.310 -5.127 1.00 4.21 H new ATOM 0 HG3 GLU A 29 9.657 3.852 -5.850 1.00 4.21 H new ATOM 447 N GLY A 30 7.508 7.540 -4.941 1.00 1.10 N ATOM 448 CA GLY A 30 6.435 8.323 -5.531 1.00 0.77 C ATOM 449 C GLY A 30 5.124 8.199 -4.748 1.00 0.62 C ATOM 450 O GLY A 30 4.051 8.221 -5.354 1.00 0.78 O ATOM 0 H GLY A 30 8.267 8.112 -4.570 1.00 1.10 H new ATOM 0 HA2 GLY A 30 6.733 9.371 -5.572 1.00 0.77 H new ATOM 0 HA3 GLY A 30 6.274 7.997 -6.559 1.00 0.77 H new ATOM 454 N ILE A 31 5.217 8.069 -3.417 1.00 0.64 N ATOM 455 CA ILE A 31 4.100 7.918 -2.484 1.00 0.59 C ATOM 456 C ILE A 31 4.074 9.172 -1.612 1.00 0.70 C ATOM 457 O ILE A 31 5.129 9.564 -1.120 1.00 1.04 O ATOM 458 CB ILE A 31 4.305 6.675 -1.577 1.00 0.78 C ATOM 459 CG1 ILE A 31 5.055 5.552 -2.300 1.00 1.04 C ATOM 460 CG2 ILE A 31 3.010 6.179 -0.929 1.00 1.53 C ATOM 461 CD1 ILE A 31 4.694 4.112 -1.947 1.00 1.93 C ATOM 0 H ILE A 31 6.120 8.067 -2.942 1.00 0.64 H new ATOM 0 HA ILE A 31 3.168 7.787 -3.033 1.00 0.59 H new ATOM 0 HB ILE A 31 4.939 7.008 -0.755 1.00 0.78 H new ATOM 0 HG12 ILE A 31 4.902 5.683 -3.371 1.00 1.04 H new ATOM 0 HG13 ILE A 31 6.120 5.686 -2.112 1.00 1.04 H new ATOM 0 HG21 ILE A 31 3.224 5.309 -0.309 1.00 1.53 H new ATOM 0 HG22 ILE A 31 2.586 6.970 -0.311 1.00 1.53 H new ATOM 0 HG23 ILE A 31 2.296 5.904 -1.706 1.00 1.53 H new ATOM 0 HD11 ILE A 31 5.305 3.429 -2.537 1.00 1.93 H new ATOM 0 HD12 ILE A 31 4.878 3.940 -0.886 1.00 1.93 H new ATOM 0 HD13 ILE A 31 3.641 3.937 -2.165 1.00 1.93 H new ATOM 473 N TYR A 32 2.900 9.766 -1.365 1.00 0.61 N ATOM 474 CA TYR A 32 2.735 10.663 -0.224 1.00 0.87 C ATOM 475 C TYR A 32 1.373 10.476 0.447 1.00 0.83 C ATOM 476 O TYR A 32 0.669 11.419 0.805 1.00 0.96 O ATOM 477 CB TYR A 32 2.840 12.106 -0.687 1.00 1.17 C ATOM 478 CG TYR A 32 4.086 12.475 -1.468 1.00 1.30 C ATOM 479 CD1 TYR A 32 5.308 12.684 -0.803 1.00 2.41 C ATOM 480 CD2 TYR A 32 4.025 12.579 -2.871 1.00 1.75 C ATOM 481 CE1 TYR A 32 6.459 13.017 -1.536 1.00 2.85 C ATOM 482 CE2 TYR A 32 5.173 12.928 -3.600 1.00 2.27 C ATOM 483 CZ TYR A 32 6.392 13.136 -2.935 1.00 2.48 C ATOM 484 OH TYR A 32 7.498 13.487 -3.649 1.00 3.18 O ATOM 0 H TYR A 32 2.063 9.642 -1.934 1.00 0.61 H new ATOM 0 HA TYR A 32 3.520 10.426 0.494 1.00 0.87 H new ATOM 0 HB2 TYR A 32 1.971 12.331 -1.305 1.00 1.17 H new ATOM 0 HB3 TYR A 32 2.783 12.751 0.190 1.00 1.17 H new ATOM 0 HD1 TYR A 32 5.361 12.588 0.271 1.00 2.41 H new ATOM 0 HD2 TYR A 32 3.095 12.390 -3.386 1.00 1.75 H new ATOM 0 HE1 TYR A 32 7.396 13.182 -1.025 1.00 2.85 H new ATOM 0 HE2 TYR A 32 5.118 13.037 -4.673 1.00 2.27 H new ATOM 0 HH TYR A 32 7.274 13.522 -4.603 1.00 3.18 H new ATOM 494 N SER A 33 1.049 9.216 0.672 1.00 0.79 N ATOM 495 CA SER A 33 0.305 8.673 1.802 1.00 1.05 C ATOM 496 C SER A 33 0.466 7.167 1.709 1.00 1.14 C ATOM 497 O SER A 33 0.258 6.621 0.622 1.00 1.37 O ATOM 498 CB SER A 33 -1.183 9.046 1.818 1.00 1.15 C ATOM 499 OG SER A 33 -1.758 8.691 3.061 1.00 2.03 O ATOM 0 H SER A 33 1.320 8.483 0.017 1.00 0.79 H new ATOM 0 HA SER A 33 0.700 9.095 2.726 1.00 1.05 H new ATOM 0 HB2 SER A 33 -1.300 10.116 1.646 1.00 1.15 H new ATOM 0 HB3 SER A 33 -1.703 8.535 1.008 1.00 1.15 H new ATOM 0 HG SER A 33 -2.707 8.934 3.064 1.00 2.03 H new ATOM 505 N ILE A 34 0.778 6.488 2.810 1.00 1.11 N ATOM 506 CA ILE A 34 0.895 5.047 2.761 1.00 1.06 C ATOM 507 C ILE A 34 -0.494 4.424 2.840 1.00 1.59 C ATOM 508 O ILE A 34 -1.413 4.965 3.452 1.00 2.08 O ATOM 509 CB ILE A 34 1.826 4.518 3.860 1.00 1.12 C ATOM 510 CG1 ILE A 34 1.202 4.370 5.259 1.00 1.64 C ATOM 511 CG2 ILE A 34 3.136 5.311 3.897 1.00 1.03 C ATOM 512 CD1 ILE A 34 0.620 5.655 5.849 1.00 2.03 C ATOM 0 H ILE A 34 0.950 6.907 3.724 1.00 1.11 H new ATOM 0 HA ILE A 34 1.350 4.760 1.813 1.00 1.06 H new ATOM 0 HB ILE A 34 2.037 3.489 3.569 1.00 1.12 H new ATOM 0 HG12 ILE A 34 0.412 3.621 5.210 1.00 1.64 H new ATOM 0 HG13 ILE A 34 1.962 3.988 5.940 1.00 1.64 H new ATOM 0 HG21 ILE A 34 3.778 4.916 4.684 1.00 1.03 H new ATOM 0 HG22 ILE A 34 3.643 5.221 2.936 1.00 1.03 H new ATOM 0 HG23 ILE A 34 2.920 6.361 4.097 1.00 1.03 H new ATOM 0 HD11 ILE A 34 0.205 5.447 6.835 1.00 2.03 H new ATOM 0 HD12 ILE A 34 1.407 6.404 5.937 1.00 2.03 H new ATOM 0 HD13 ILE A 34 -0.167 6.031 5.196 1.00 2.03 H new ATOM 524 N LEU A 35 -0.639 3.252 2.237 1.00 1.70 N ATOM 525 CA LEU A 35 -1.880 2.535 2.157 1.00 2.26 C ATOM 526 C LEU A 35 -2.149 1.769 3.436 1.00 1.56 C ATOM 527 O LEU A 35 -2.235 0.547 3.440 1.00 1.70 O ATOM 528 CB LEU A 35 -1.872 1.612 0.942 1.00 3.24 C ATOM 529 CG LEU A 35 -0.643 0.693 0.986 1.00 3.95 C ATOM 530 CD1 LEU A 35 -0.882 -0.817 0.870 1.00 4.45 C ATOM 531 CD2 LEU A 35 0.259 1.163 -0.153 1.00 4.72 C ATOM 0 H LEU A 35 0.134 2.769 1.780 1.00 1.70 H new ATOM 0 HA LEU A 35 -2.692 3.252 2.035 1.00 2.26 H new ATOM 0 HB2 LEU A 35 -2.783 1.014 0.924 1.00 3.24 H new ATOM 0 HB3 LEU A 35 -1.861 2.203 0.026 1.00 3.24 H new ATOM 0 HG LEU A 35 -0.214 0.785 1.984 1.00 3.95 H new ATOM 0 HD11 LEU A 35 0.073 -1.341 0.916 1.00 4.45 H new ATOM 0 HD12 LEU A 35 -1.518 -1.149 1.691 1.00 4.45 H new ATOM 0 HD13 LEU A 35 -1.371 -1.036 -0.079 1.00 4.45 H new ATOM 0 HD21 LEU A 35 1.159 0.549 -0.181 1.00 4.72 H new ATOM 0 HD22 LEU A 35 -0.273 1.071 -1.100 1.00 4.72 H new ATOM 0 HD23 LEU A 35 0.535 2.205 0.008 1.00 4.72 H new ATOM 543 N VAL A 36 -2.349 2.513 4.513 1.00 1.14 N ATOM 544 CA VAL A 36 -2.982 1.990 5.706 1.00 0.63 C ATOM 545 C VAL A 36 -4.288 2.712 6.001 1.00 0.82 C ATOM 546 O VAL A 36 -4.396 3.929 5.892 1.00 1.66 O ATOM 547 CB VAL A 36 -2.016 2.007 6.892 1.00 0.77 C ATOM 548 CG1 VAL A 36 -2.761 1.922 8.226 1.00 1.21 C ATOM 549 CG2 VAL A 36 -1.154 0.754 6.758 1.00 0.87 C ATOM 0 H VAL A 36 -2.077 3.494 4.581 1.00 1.14 H new ATOM 0 HA VAL A 36 -3.241 0.946 5.527 1.00 0.63 H new ATOM 0 HB VAL A 36 -1.439 2.932 6.883 1.00 0.77 H new ATOM 0 HG11 VAL A 36 -2.043 1.937 9.046 1.00 1.21 H new ATOM 0 HG12 VAL A 36 -3.436 2.772 8.320 1.00 1.21 H new ATOM 0 HG13 VAL A 36 -3.335 0.996 8.264 1.00 1.21 H new ATOM 0 HG21 VAL A 36 -0.442 0.713 7.582 1.00 0.87 H new ATOM 0 HG22 VAL A 36 -1.791 -0.130 6.784 1.00 0.87 H new ATOM 0 HG23 VAL A 36 -0.613 0.784 5.812 1.00 0.87 H new ATOM 559 N ALA A 37 -5.251 1.905 6.436 1.00 0.59 N ATOM 560 CA ALA A 37 -6.502 2.287 7.065 1.00 0.67 C ATOM 561 C ALA A 37 -6.961 1.091 7.906 1.00 0.75 C ATOM 562 O ALA A 37 -8.036 0.516 7.700 1.00 0.80 O ATOM 563 CB ALA A 37 -7.527 2.719 6.011 1.00 0.67 C ATOM 0 H ALA A 37 -5.167 0.892 6.349 1.00 0.59 H new ATOM 0 HA ALA A 37 -6.381 3.153 7.716 1.00 0.67 H new ATOM 0 HB1 ALA A 37 -8.458 3.001 6.503 1.00 0.67 H new ATOM 0 HB2 ALA A 37 -7.138 3.571 5.453 1.00 0.67 H new ATOM 0 HB3 ALA A 37 -7.715 1.892 5.326 1.00 0.67 H new ATOM 569 N LEU A 38 -6.125 0.694 8.871 1.00 0.87 N ATOM 570 CA LEU A 38 -6.384 -0.412 9.781 1.00 1.11 C ATOM 571 C LEU A 38 -7.314 0.059 10.895 1.00 1.74 C ATOM 572 O LEU A 38 -6.993 0.015 12.079 1.00 3.34 O ATOM 573 CB LEU A 38 -5.050 -0.942 10.307 1.00 1.06 C ATOM 574 CG LEU A 38 -5.056 -2.318 11.002 1.00 1.84 C ATOM 575 CD1 LEU A 38 -4.537 -2.222 12.443 1.00 2.46 C ATOM 576 CD2 LEU A 38 -6.389 -3.078 10.998 1.00 3.28 C ATOM 0 H LEU A 38 -5.228 1.149 9.040 1.00 0.87 H new ATOM 0 HA LEU A 38 -6.886 -1.234 9.270 1.00 1.11 H new ATOM 0 HB2 LEU A 38 -4.354 -0.991 9.470 1.00 1.06 H new ATOM 0 HB3 LEU A 38 -4.652 -0.211 11.011 1.00 1.06 H new ATOM 0 HG LEU A 38 -4.382 -2.907 10.380 1.00 1.84 H new ATOM 0 HD11 LEU A 38 -4.555 -3.210 12.903 1.00 2.46 H new ATOM 0 HD12 LEU A 38 -3.515 -1.843 12.437 1.00 2.46 H new ATOM 0 HD13 LEU A 38 -5.172 -1.545 13.014 1.00 2.46 H new ATOM 0 HD21 LEU A 38 -6.267 -4.030 11.515 1.00 3.28 H new ATOM 0 HD22 LEU A 38 -7.148 -2.484 11.506 1.00 3.28 H new ATOM 0 HD23 LEU A 38 -6.700 -3.262 9.970 1.00 3.28 H new ATOM 588 N MET A 39 -8.493 0.499 10.473 1.00 1.14 N ATOM 589 CA MET A 39 -9.661 0.686 11.305 1.00 1.29 C ATOM 590 C MET A 39 -10.803 0.017 10.544 1.00 1.17 C ATOM 591 O MET A 39 -11.472 -0.875 11.056 1.00 1.28 O ATOM 592 CB MET A 39 -9.883 2.184 11.546 1.00 1.49 C ATOM 593 CG MET A 39 -11.014 2.434 12.552 1.00 2.44 C ATOM 594 SD MET A 39 -11.410 4.173 12.872 1.00 2.89 S ATOM 595 CE MET A 39 -9.851 4.770 13.565 1.00 3.31 C ATOM 0 H MET A 39 -8.662 0.744 9.497 1.00 1.14 H new ATOM 0 HA MET A 39 -9.569 0.243 12.297 1.00 1.29 H new ATOM 0 HB2 MET A 39 -8.961 2.634 11.915 1.00 1.49 H new ATOM 0 HB3 MET A 39 -10.121 2.673 10.602 1.00 1.49 H new ATOM 0 HG2 MET A 39 -11.914 1.936 12.191 1.00 2.44 H new ATOM 0 HG3 MET A 39 -10.746 1.962 13.497 1.00 2.44 H new ATOM 0 HE1 MET A 39 -9.989 5.778 13.957 1.00 3.31 H new ATOM 0 HE2 MET A 39 -9.534 4.108 14.370 1.00 3.31 H new ATOM 0 HE3 MET A 39 -9.089 4.785 12.786 1.00 3.31 H new ATOM 605 N ALA A 40 -10.951 0.400 9.271 1.00 1.27 N ATOM 606 CA ALA A 40 -11.754 -0.328 8.303 1.00 1.12 C ATOM 607 C ALA A 40 -11.108 -1.676 7.948 1.00 1.07 C ATOM 608 O ALA A 40 -11.821 -2.612 7.600 1.00 1.31 O ATOM 609 CB ALA A 40 -11.946 0.541 7.059 1.00 1.08 C ATOM 0 H ALA A 40 -10.508 1.235 8.887 1.00 1.27 H new ATOM 0 HA ALA A 40 -12.729 -0.548 8.738 1.00 1.12 H new ATOM 0 HB1 ALA A 40 -12.548 0.001 6.328 1.00 1.08 H new ATOM 0 HB2 ALA A 40 -12.453 1.465 7.336 1.00 1.08 H new ATOM 0 HB3 ALA A 40 -10.974 0.776 6.626 1.00 1.08 H new ATOM 615 N GLY A 41 -9.771 -1.771 7.990 1.00 1.00 N ATOM 616 CA GLY A 41 -9.036 -2.983 7.646 1.00 1.03 C ATOM 617 C GLY A 41 -8.571 -2.903 6.202 1.00 0.92 C ATOM 618 O GLY A 41 -8.761 -3.837 5.422 1.00 0.98 O ATOM 0 H GLY A 41 -9.169 -0.996 8.268 1.00 1.00 H new ATOM 0 HA2 GLY A 41 -8.179 -3.101 8.309 1.00 1.03 H new ATOM 0 HA3 GLY A 41 -9.671 -3.858 7.787 1.00 1.03 H new ATOM 622 N LYS A 42 -8.024 -1.745 5.833 1.00 0.88 N ATOM 623 CA LYS A 42 -7.951 -1.266 4.472 1.00 1.06 C ATOM 624 C LYS A 42 -6.681 -0.449 4.322 1.00 0.85 C ATOM 625 O LYS A 42 -5.861 -0.388 5.241 1.00 0.50 O ATOM 626 CB LYS A 42 -9.214 -0.464 4.118 1.00 1.47 C ATOM 627 CG LYS A 42 -10.445 -1.371 4.174 1.00 1.56 C ATOM 628 CD LYS A 42 -11.488 -0.961 3.129 1.00 1.90 C ATOM 629 CE LYS A 42 -12.674 -1.933 3.174 1.00 3.33 C ATOM 630 NZ LYS A 42 -13.630 -1.686 2.075 1.00 4.21 N ATOM 0 H LYS A 42 -7.608 -1.100 6.504 1.00 0.88 H new ATOM 0 HA LYS A 42 -7.911 -2.099 3.771 1.00 1.06 H new ATOM 0 HB2 LYS A 42 -9.333 0.367 4.813 1.00 1.47 H new ATOM 0 HB3 LYS A 42 -9.114 -0.034 3.121 1.00 1.47 H new ATOM 0 HG2 LYS A 42 -10.145 -2.405 4.005 1.00 1.56 H new ATOM 0 HG3 LYS A 42 -10.887 -1.326 5.169 1.00 1.56 H new ATOM 0 HD2 LYS A 42 -11.831 0.055 3.322 1.00 1.90 H new ATOM 0 HD3 LYS A 42 -11.041 -0.963 2.135 1.00 1.90 H new ATOM 0 HE2 LYS A 42 -12.307 -2.957 3.112 1.00 3.33 H new ATOM 0 HE3 LYS A 42 -13.187 -1.836 4.131 1.00 3.33 H new ATOM 0 HZ1 LYS A 42 -14.417 -2.363 2.140 1.00 4.21 H new ATOM 0 HZ2 LYS A 42 -14.000 -0.717 2.148 1.00 4.21 H new ATOM 0 HZ3 LYS A 42 -13.147 -1.804 1.162 1.00 4.21 H new ATOM 644 N ALA A 43 -6.487 0.075 3.118 1.00 1.33 N ATOM 645 CA ALA A 43 -5.215 0.517 2.622 1.00 0.99 C ATOM 646 C ALA A 43 -5.468 1.535 1.504 1.00 0.86 C ATOM 647 O ALA A 43 -6.099 1.190 0.512 1.00 0.85 O ATOM 648 CB ALA A 43 -4.522 -0.770 2.153 1.00 1.26 C ATOM 0 H ALA A 43 -7.244 0.203 2.447 1.00 1.33 H new ATOM 0 HA ALA A 43 -4.582 1.026 3.349 1.00 0.99 H new ATOM 0 HB1 ALA A 43 -3.536 -0.528 1.755 1.00 1.26 H new ATOM 0 HB2 ALA A 43 -4.416 -1.454 2.995 1.00 1.26 H new ATOM 0 HB3 ALA A 43 -5.121 -1.243 1.375 1.00 1.26 H new ATOM 654 N GLU A 44 -5.018 2.789 1.642 1.00 0.90 N ATOM 655 CA GLU A 44 -5.208 3.800 0.600 1.00 0.93 C ATOM 656 C GLU A 44 -3.934 4.580 0.293 1.00 0.93 C ATOM 657 O GLU A 44 -3.501 5.432 1.067 1.00 1.54 O ATOM 658 CB GLU A 44 -6.375 4.734 0.909 1.00 1.28 C ATOM 659 CG GLU A 44 -6.587 5.105 2.382 1.00 1.18 C ATOM 660 CD GLU A 44 -7.787 6.037 2.504 1.00 1.68 C ATOM 661 OE1 GLU A 44 -7.813 7.032 1.749 1.00 2.60 O ATOM 662 OE2 GLU A 44 -8.701 5.704 3.291 1.00 2.38 O ATOM 0 H GLU A 44 -4.520 3.125 2.466 1.00 0.90 H new ATOM 0 HA GLU A 44 -5.463 3.250 -0.306 1.00 0.93 H new ATOM 0 HB2 GLU A 44 -6.233 5.655 0.343 1.00 1.28 H new ATOM 0 HB3 GLU A 44 -7.290 4.270 0.540 1.00 1.28 H new ATOM 0 HG2 GLU A 44 -6.750 4.205 2.975 1.00 1.18 H new ATOM 0 HG3 GLU A 44 -5.695 5.590 2.778 1.00 1.18 H new ATOM 669 N VAL A 45 -3.325 4.283 -0.851 1.00 0.62 N ATOM 670 CA VAL A 45 -2.098 4.876 -1.293 1.00 0.59 C ATOM 671 C VAL A 45 -2.419 6.219 -1.945 1.00 0.61 C ATOM 672 O VAL A 45 -3.331 6.298 -2.771 1.00 0.83 O ATOM 673 CB VAL A 45 -1.467 3.876 -2.272 1.00 0.66 C ATOM 674 CG1 VAL A 45 -2.241 3.678 -3.574 1.00 1.26 C ATOM 675 CG2 VAL A 45 -0.036 4.276 -2.543 1.00 1.50 C ATOM 0 H VAL A 45 -3.697 3.597 -1.508 1.00 0.62 H new ATOM 0 HA VAL A 45 -1.396 5.075 -0.483 1.00 0.59 H new ATOM 0 HB VAL A 45 -1.504 2.902 -1.784 1.00 0.66 H new ATOM 0 HG11 VAL A 45 -1.719 2.955 -4.201 1.00 1.26 H new ATOM 0 HG12 VAL A 45 -3.242 3.309 -3.350 1.00 1.26 H new ATOM 0 HG13 VAL A 45 -2.315 4.629 -4.101 1.00 1.26 H new ATOM 0 HG21 VAL A 45 0.414 3.567 -3.238 1.00 1.50 H new ATOM 0 HG22 VAL A 45 -0.014 5.275 -2.978 1.00 1.50 H new ATOM 0 HG23 VAL A 45 0.525 4.275 -1.609 1.00 1.50 H new ATOM 685 N ARG A 46 -1.670 7.266 -1.587 1.00 0.51 N ATOM 686 CA ARG A 46 -1.662 8.527 -2.318 1.00 0.47 C ATOM 687 C ARG A 46 -0.299 8.608 -2.987 1.00 0.45 C ATOM 688 O ARG A 46 0.708 8.377 -2.322 1.00 0.49 O ATOM 689 CB ARG A 46 -1.930 9.695 -1.369 1.00 0.52 C ATOM 690 CG ARG A 46 -2.219 11.022 -2.077 1.00 0.81 C ATOM 691 CD ARG A 46 -2.358 12.098 -0.992 1.00 1.09 C ATOM 692 NE ARG A 46 -2.778 13.395 -1.538 1.00 2.27 N ATOM 693 CZ ARG A 46 -2.925 14.507 -0.796 1.00 3.12 C ATOM 694 NH1 ARG A 46 -2.627 14.477 0.509 1.00 3.15 N ATOM 695 NH2 ARG A 46 -3.371 15.636 -1.357 1.00 4.57 N ATOM 0 H ARG A 46 -1.050 7.258 -0.777 1.00 0.51 H new ATOM 0 HA ARG A 46 -2.450 8.580 -3.069 1.00 0.47 H new ATOM 0 HB2 ARG A 46 -2.777 9.444 -0.731 1.00 0.52 H new ATOM 0 HB3 ARG A 46 -1.067 9.824 -0.716 1.00 0.52 H new ATOM 0 HG2 ARG A 46 -1.413 11.273 -2.766 1.00 0.81 H new ATOM 0 HG3 ARG A 46 -3.133 10.951 -2.667 1.00 0.81 H new ATOM 0 HD2 ARG A 46 -3.083 11.768 -0.248 1.00 1.09 H new ATOM 0 HD3 ARG A 46 -1.405 12.216 -0.477 1.00 1.09 H new ATOM 0 HE ARG A 46 -2.969 13.456 -2.538 1.00 2.27 H new ATOM 0 HH11 ARG A 46 -2.290 13.614 0.936 1.00 3.15 H new ATOM 0 HH12 ARG A 46 -2.737 15.317 1.077 1.00 3.15 H new ATOM 0 HH21 ARG A 46 -3.601 15.656 -2.351 1.00 4.57 H new ATOM 0 HH22 ARG A 46 -3.481 16.478 -0.791 1.00 4.57 H new ATOM 709 N TYR A 47 -0.259 8.832 -4.300 1.00 0.45 N ATOM 710 CA TYR A 47 0.916 8.535 -5.103 1.00 0.46 C ATOM 711 C TYR A 47 0.929 9.359 -6.383 1.00 0.44 C ATOM 712 O TYR A 47 -0.079 9.976 -6.728 1.00 0.46 O ATOM 713 CB TYR A 47 0.949 7.035 -5.431 1.00 0.52 C ATOM 714 CG TYR A 47 -0.182 6.545 -6.325 1.00 0.55 C ATOM 715 CD1 TYR A 47 -1.519 6.573 -5.882 1.00 1.85 C ATOM 716 CD2 TYR A 47 0.101 6.079 -7.621 1.00 1.93 C ATOM 717 CE1 TYR A 47 -2.565 6.225 -6.751 1.00 1.95 C ATOM 718 CE2 TYR A 47 -0.939 5.630 -8.452 1.00 2.01 C ATOM 719 CZ TYR A 47 -2.273 5.740 -8.035 1.00 1.03 C ATOM 720 OH TYR A 47 -3.278 5.392 -8.886 1.00 1.42 O ATOM 0 H TYR A 47 -1.038 9.222 -4.830 1.00 0.45 H new ATOM 0 HA TYR A 47 1.805 8.799 -4.530 1.00 0.46 H new ATOM 0 HB2 TYR A 47 1.899 6.805 -5.914 1.00 0.52 H new ATOM 0 HB3 TYR A 47 0.922 6.474 -4.497 1.00 0.52 H new ATOM 0 HD1 TYR A 47 -1.741 6.864 -4.866 1.00 1.85 H new ATOM 0 HD2 TYR A 47 1.120 6.066 -7.978 1.00 1.93 H new ATOM 0 HE1 TYR A 47 -3.592 6.330 -6.432 1.00 1.95 H new ATOM 0 HE2 TYR A 47 -0.710 5.199 -9.415 1.00 2.01 H new ATOM 0 HH TYR A 47 -2.990 5.540 -9.811 1.00 1.42 H new ATOM 730 N ASN A 48 2.063 9.338 -7.090 1.00 0.48 N ATOM 731 CA ASN A 48 2.238 9.972 -8.390 1.00 0.56 C ATOM 732 C ASN A 48 2.480 8.928 -9.494 1.00 0.62 C ATOM 733 O ASN A 48 3.614 8.472 -9.666 1.00 0.78 O ATOM 734 CB ASN A 48 3.313 11.068 -8.324 1.00 0.75 C ATOM 735 CG ASN A 48 4.622 10.691 -7.633 1.00 2.07 C ATOM 736 OD1 ASN A 48 4.916 11.178 -6.548 1.00 3.75 O ATOM 737 ND2 ASN A 48 5.439 9.857 -8.261 1.00 2.63 N ATOM 0 H ASN A 48 2.905 8.865 -6.760 1.00 0.48 H new ATOM 0 HA ASN A 48 1.311 10.476 -8.664 1.00 0.56 H new ATOM 0 HB2 ASN A 48 3.542 11.384 -9.342 1.00 0.75 H new ATOM 0 HB3 ASN A 48 2.891 11.931 -7.809 1.00 0.75 H new ATOM 0 HD21 ASN A 48 6.335 9.608 -7.841 1.00 2.63 H new ATOM 0 HD22 ASN A 48 5.172 9.464 -9.164 1.00 2.63 H new ATOM 744 N PRO A 49 1.447 8.536 -10.268 1.00 0.67 N ATOM 745 CA PRO A 49 1.601 7.604 -11.377 1.00 0.86 C ATOM 746 C PRO A 49 2.382 8.234 -12.534 1.00 1.07 C ATOM 747 O PRO A 49 1.818 8.663 -13.538 1.00 1.63 O ATOM 748 CB PRO A 49 0.190 7.175 -11.780 1.00 0.92 C ATOM 749 CG PRO A 49 -0.686 8.342 -11.330 1.00 0.87 C ATOM 750 CD PRO A 49 0.046 8.910 -10.113 1.00 0.77 C ATOM 0 HA PRO A 49 2.188 6.733 -11.085 1.00 0.86 H new ATOM 0 HB2 PRO A 49 0.114 7.008 -12.854 1.00 0.92 H new ATOM 0 HB3 PRO A 49 -0.100 6.245 -11.292 1.00 0.92 H new ATOM 0 HG2 PRO A 49 -0.790 9.089 -12.117 1.00 0.87 H new ATOM 0 HG3 PRO A 49 -1.691 8.009 -11.071 1.00 0.87 H new ATOM 0 HD2 PRO A 49 -0.064 9.993 -10.063 1.00 0.77 H new ATOM 0 HD3 PRO A 49 -0.365 8.505 -9.188 1.00 0.77 H new ATOM 758 N ALA A 50 3.700 8.255 -12.368 1.00 0.96 N ATOM 759 CA ALA A 50 4.690 8.397 -13.421 1.00 1.13 C ATOM 760 C ALA A 50 5.864 7.512 -13.012 1.00 1.08 C ATOM 761 O ALA A 50 6.237 6.570 -13.706 1.00 1.22 O ATOM 762 CB ALA A 50 5.091 9.867 -13.575 1.00 1.40 C ATOM 0 H ALA A 50 4.125 8.169 -11.445 1.00 0.96 H new ATOM 0 HA ALA A 50 4.309 8.089 -14.395 1.00 1.13 H new ATOM 0 HB1 ALA A 50 5.834 9.960 -14.367 1.00 1.40 H new ATOM 0 HB2 ALA A 50 4.212 10.459 -13.830 1.00 1.40 H new ATOM 0 HB3 ALA A 50 5.513 10.229 -12.638 1.00 1.40 H new ATOM 768 N VAL A 51 6.395 7.780 -11.817 1.00 1.03 N ATOM 769 CA VAL A 51 7.394 6.970 -11.163 1.00 1.07 C ATOM 770 C VAL A 51 6.873 5.539 -11.013 1.00 0.97 C ATOM 771 O VAL A 51 7.466 4.599 -11.535 1.00 1.20 O ATOM 772 CB VAL A 51 7.675 7.614 -9.794 1.00 1.08 C ATOM 773 CG1 VAL A 51 8.689 6.792 -9.007 1.00 1.25 C ATOM 774 CG2 VAL A 51 8.223 9.043 -9.945 1.00 1.33 C ATOM 0 H VAL A 51 6.124 8.597 -11.270 1.00 1.03 H new ATOM 0 HA VAL A 51 8.316 6.921 -11.742 1.00 1.07 H new ATOM 0 HB VAL A 51 6.725 7.646 -9.260 1.00 1.08 H new ATOM 0 HG11 VAL A 51 8.872 7.266 -8.043 1.00 1.25 H new ATOM 0 HG12 VAL A 51 8.298 5.787 -8.849 1.00 1.25 H new ATOM 0 HG13 VAL A 51 9.623 6.734 -9.566 1.00 1.25 H new ATOM 0 HG21 VAL A 51 8.410 9.467 -8.958 1.00 1.33 H new ATOM 0 HG22 VAL A 51 9.154 9.018 -10.512 1.00 1.33 H new ATOM 0 HG23 VAL A 51 7.494 9.658 -10.472 1.00 1.33 H new ATOM 784 N ILE A 52 5.782 5.384 -10.259 1.00 0.79 N ATOM 785 CA ILE A 52 5.416 4.100 -9.684 1.00 0.87 C ATOM 786 C ILE A 52 4.526 3.276 -10.619 1.00 0.85 C ATOM 787 O ILE A 52 5.041 2.387 -11.290 1.00 1.21 O ATOM 788 CB ILE A 52 4.951 4.301 -8.240 1.00 0.95 C ATOM 789 CG1 ILE A 52 4.831 2.960 -7.520 1.00 1.19 C ATOM 790 CG2 ILE A 52 3.660 5.108 -8.053 1.00 0.96 C ATOM 791 CD1 ILE A 52 6.164 2.272 -7.207 1.00 1.62 C ATOM 0 H ILE A 52 5.137 6.141 -10.035 1.00 0.79 H new ATOM 0 HA ILE A 52 6.284 3.447 -9.598 1.00 0.87 H new ATOM 0 HB ILE A 52 5.734 4.915 -7.795 1.00 0.95 H new ATOM 0 HG12 ILE A 52 4.290 3.113 -6.586 1.00 1.19 H new ATOM 0 HG13 ILE A 52 4.228 2.289 -8.131 1.00 1.19 H new ATOM 0 HG21 ILE A 52 3.430 5.185 -6.990 1.00 0.96 H new ATOM 0 HG22 ILE A 52 3.792 6.107 -8.469 1.00 0.96 H new ATOM 0 HG23 ILE A 52 2.840 4.606 -8.567 1.00 0.96 H new ATOM 0 HD11 ILE A 52 5.975 1.328 -6.696 1.00 1.62 H new ATOM 0 HD12 ILE A 52 6.702 2.081 -8.136 1.00 1.62 H new ATOM 0 HD13 ILE A 52 6.765 2.917 -6.566 1.00 1.62 H new ATOM 803 N GLN A 53 3.230 3.605 -10.705 1.00 0.81 N ATOM 804 CA GLN A 53 2.159 2.998 -11.499 1.00 0.85 C ATOM 805 C GLN A 53 1.302 2.041 -10.649 1.00 0.77 C ATOM 806 O GLN A 53 1.832 1.342 -9.790 1.00 0.74 O ATOM 807 CB GLN A 53 2.565 2.335 -12.835 1.00 1.08 C ATOM 808 CG GLN A 53 2.671 3.310 -14.011 1.00 1.39 C ATOM 809 CD GLN A 53 3.676 4.426 -13.793 1.00 1.95 C ATOM 810 OE1 GLN A 53 3.347 5.594 -13.955 1.00 3.42 O ATOM 811 NE2 GLN A 53 4.895 4.074 -13.415 1.00 2.88 N ATOM 0 H GLN A 53 2.870 4.388 -10.160 1.00 0.81 H new ATOM 0 HA GLN A 53 1.567 3.859 -11.810 1.00 0.85 H new ATOM 0 HB2 GLN A 53 3.525 1.836 -12.703 1.00 1.08 H new ATOM 0 HB3 GLN A 53 1.836 1.563 -13.082 1.00 1.08 H new ATOM 0 HG2 GLN A 53 2.947 2.755 -14.907 1.00 1.39 H new ATOM 0 HG3 GLN A 53 1.690 3.748 -14.197 1.00 1.39 H new ATOM 0 HE21 GLN A 53 5.126 3.088 -13.292 1.00 2.88 H new ATOM 0 HE22 GLN A 53 5.603 4.789 -13.247 1.00 2.88 H new ATOM 820 N PRO A 54 -0.021 2.002 -10.883 1.00 0.85 N ATOM 821 CA PRO A 54 -0.988 1.084 -10.274 1.00 0.95 C ATOM 822 C PRO A 54 -0.618 -0.407 -10.260 1.00 0.85 C ATOM 823 O PRO A 54 -0.738 -1.027 -9.204 1.00 0.94 O ATOM 824 CB PRO A 54 -2.334 1.389 -10.934 1.00 1.11 C ATOM 825 CG PRO A 54 -2.165 2.894 -11.108 1.00 1.14 C ATOM 826 CD PRO A 54 -0.752 3.000 -11.639 1.00 0.96 C ATOM 0 HA PRO A 54 -1.015 1.270 -9.200 1.00 0.95 H new ATOM 0 HB2 PRO A 54 -2.469 0.866 -11.881 1.00 1.11 H new ATOM 0 HB3 PRO A 54 -3.183 1.129 -10.302 1.00 1.11 H new ATOM 0 HG2 PRO A 54 -2.894 3.307 -11.805 1.00 1.14 H new ATOM 0 HG3 PRO A 54 -2.287 3.429 -10.166 1.00 1.14 H new ATOM 0 HD2 PRO A 54 -0.711 2.800 -12.710 1.00 0.96 H new ATOM 0 HD3 PRO A 54 -0.341 3.998 -11.486 1.00 0.96 H new ATOM 834 N PRO A 55 -0.165 -1.016 -11.370 1.00 0.76 N ATOM 835 CA PRO A 55 0.512 -2.292 -11.302 1.00 0.78 C ATOM 836 C PRO A 55 1.603 -2.242 -10.234 1.00 0.67 C ATOM 837 O PRO A 55 1.537 -2.975 -9.249 1.00 0.72 O ATOM 838 CB PRO A 55 1.075 -2.553 -12.701 1.00 0.93 C ATOM 839 CG PRO A 55 0.784 -1.331 -13.546 1.00 0.80 C ATOM 840 CD PRO A 55 -0.249 -0.564 -12.745 1.00 0.81 C ATOM 0 HA PRO A 55 -0.157 -3.104 -11.016 1.00 0.78 H new ATOM 0 HB2 PRO A 55 2.148 -2.739 -12.654 1.00 0.93 H new ATOM 0 HB3 PRO A 55 0.617 -3.440 -13.139 1.00 0.93 H new ATOM 0 HG2 PRO A 55 1.683 -0.737 -13.710 1.00 0.80 H new ATOM 0 HG3 PRO A 55 0.401 -1.608 -14.528 1.00 0.80 H new ATOM 0 HD2 PRO A 55 -0.062 0.508 -12.807 1.00 0.81 H new ATOM 0 HD3 PRO A 55 -1.248 -0.737 -13.144 1.00 0.81 H new ATOM 848 N MET A 56 2.603 -1.370 -10.403 1.00 0.64 N ATOM 849 CA MET A 56 3.737 -1.352 -9.535 1.00 0.73 C ATOM 850 C MET A 56 3.394 -1.232 -8.051 1.00 0.70 C ATOM 851 O MET A 56 3.953 -1.985 -7.266 1.00 0.77 O ATOM 852 CB MET A 56 4.695 -0.272 -10.026 1.00 0.94 C ATOM 853 CG MET A 56 6.063 -0.912 -10.016 1.00 2.06 C ATOM 854 SD MET A 56 7.462 0.173 -10.386 1.00 2.56 S ATOM 855 CE MET A 56 8.824 -0.932 -9.954 1.00 3.81 C ATOM 0 H MET A 56 2.629 -0.671 -11.145 1.00 0.64 H new ATOM 0 HA MET A 56 4.227 -2.324 -9.587 1.00 0.73 H new ATOM 0 HB2 MET A 56 4.427 0.065 -11.027 1.00 0.94 H new ATOM 0 HB3 MET A 56 4.666 0.603 -9.377 1.00 0.94 H new ATOM 0 HG2 MET A 56 6.225 -1.356 -9.034 1.00 2.06 H new ATOM 0 HG3 MET A 56 6.063 -1.728 -10.738 1.00 2.06 H new ATOM 0 HE1 MET A 56 9.773 -0.423 -10.122 1.00 3.81 H new ATOM 0 HE2 MET A 56 8.744 -1.214 -8.904 1.00 3.81 H new ATOM 0 HE3 MET A 56 8.778 -1.827 -10.575 1.00 3.81 H new ATOM 865 N ILE A 57 2.493 -0.335 -7.641 1.00 0.69 N ATOM 866 CA ILE A 57 2.079 -0.284 -6.243 1.00 0.83 C ATOM 867 C ILE A 57 1.574 -1.655 -5.765 1.00 0.77 C ATOM 868 O ILE A 57 2.041 -2.151 -4.739 1.00 0.89 O ATOM 869 CB ILE A 57 1.099 0.879 -5.973 1.00 1.11 C ATOM 870 CG1 ILE A 57 -0.155 0.844 -6.841 1.00 2.76 C ATOM 871 CG2 ILE A 57 1.834 2.217 -6.086 1.00 1.56 C ATOM 872 CD1 ILE A 57 -0.954 2.150 -6.824 1.00 3.18 C ATOM 0 H ILE A 57 2.045 0.353 -8.247 1.00 0.69 H new ATOM 0 HA ILE A 57 2.955 -0.060 -5.634 1.00 0.83 H new ATOM 0 HB ILE A 57 0.734 0.757 -4.953 1.00 1.11 H new ATOM 0 HG12 ILE A 57 0.131 0.617 -7.868 1.00 2.76 H new ATOM 0 HG13 ILE A 57 -0.798 0.031 -6.502 1.00 2.76 H new ATOM 0 HG21 ILE A 57 1.137 3.033 -5.894 1.00 1.56 H new ATOM 0 HG22 ILE A 57 2.642 2.251 -5.355 1.00 1.56 H new ATOM 0 HG23 ILE A 57 2.248 2.321 -7.089 1.00 1.56 H new ATOM 0 HD11 ILE A 57 -1.831 2.049 -7.464 1.00 3.18 H new ATOM 0 HD12 ILE A 57 -1.272 2.369 -5.805 1.00 3.18 H new ATOM 0 HD13 ILE A 57 -0.329 2.964 -7.191 1.00 3.18 H new ATOM 884 N ALA A 58 0.660 -2.292 -6.510 1.00 0.75 N ATOM 885 CA ALA A 58 0.155 -3.615 -6.163 1.00 0.87 C ATOM 886 C ALA A 58 1.295 -4.622 -6.005 1.00 0.82 C ATOM 887 O ALA A 58 1.398 -5.313 -4.987 1.00 0.94 O ATOM 888 CB ALA A 58 -0.853 -4.089 -7.215 1.00 1.08 C ATOM 0 H ALA A 58 0.257 -1.903 -7.362 1.00 0.75 H new ATOM 0 HA ALA A 58 -0.353 -3.544 -5.201 1.00 0.87 H new ATOM 0 HB1 ALA A 58 -1.223 -5.078 -6.945 1.00 1.08 H new ATOM 0 HB2 ALA A 58 -1.688 -3.389 -7.260 1.00 1.08 H new ATOM 0 HB3 ALA A 58 -0.367 -4.137 -8.189 1.00 1.08 H new ATOM 894 N GLU A 59 2.155 -4.699 -7.014 1.00 0.78 N ATOM 895 CA GLU A 59 3.259 -5.610 -7.051 1.00 0.89 C ATOM 896 C GLU A 59 4.225 -5.356 -5.895 1.00 0.85 C ATOM 897 O GLU A 59 4.427 -6.246 -5.077 1.00 0.94 O ATOM 898 CB GLU A 59 3.917 -5.433 -8.412 1.00 0.97 C ATOM 899 CG GLU A 59 3.080 -5.917 -9.615 1.00 1.20 C ATOM 900 CD GLU A 59 2.333 -7.218 -9.362 1.00 1.58 C ATOM 901 OE1 GLU A 59 1.201 -7.146 -8.828 1.00 2.48 O ATOM 902 OE2 GLU A 59 2.891 -8.301 -9.653 1.00 2.74 O ATOM 0 H GLU A 59 2.089 -4.108 -7.843 1.00 0.78 H new ATOM 0 HA GLU A 59 2.929 -6.641 -6.926 1.00 0.89 H new ATOM 0 HB2 GLU A 59 4.147 -4.377 -8.552 1.00 0.97 H new ATOM 0 HB3 GLU A 59 4.866 -5.969 -8.411 1.00 0.97 H new ATOM 0 HG2 GLU A 59 2.361 -5.142 -9.880 1.00 1.20 H new ATOM 0 HG3 GLU A 59 3.738 -6.048 -10.474 1.00 1.20 H new ATOM 909 N PHE A 60 4.780 -4.148 -5.791 1.00 0.84 N ATOM 910 CA PHE A 60 5.731 -3.773 -4.758 1.00 0.98 C ATOM 911 C PHE A 60 5.231 -4.139 -3.364 1.00 1.03 C ATOM 912 O PHE A 60 6.022 -4.527 -2.510 1.00 1.29 O ATOM 913 CB PHE A 60 6.060 -2.276 -4.868 1.00 1.08 C ATOM 914 CG PHE A 60 7.516 -1.928 -4.661 1.00 1.56 C ATOM 915 CD1 PHE A 60 8.471 -2.503 -5.518 1.00 2.15 C ATOM 916 CD2 PHE A 60 7.881 -0.855 -3.827 1.00 2.91 C ATOM 917 CE1 PHE A 60 9.776 -1.996 -5.560 1.00 2.73 C ATOM 918 CE2 PHE A 60 9.194 -0.356 -3.860 1.00 3.60 C ATOM 919 CZ PHE A 60 10.139 -0.913 -4.739 1.00 3.13 C ATOM 0 H PHE A 60 4.572 -3.389 -6.440 1.00 0.84 H new ATOM 0 HA PHE A 60 6.648 -4.341 -4.915 1.00 0.98 H new ATOM 0 HB2 PHE A 60 5.753 -1.923 -5.853 1.00 1.08 H new ATOM 0 HB3 PHE A 60 5.464 -1.733 -4.135 1.00 1.08 H new ATOM 0 HD1 PHE A 60 8.197 -3.338 -6.146 1.00 2.15 H new ATOM 0 HD2 PHE A 60 7.152 -0.415 -3.162 1.00 2.91 H new ATOM 0 HE1 PHE A 60 10.505 -2.437 -6.224 1.00 2.73 H new ATOM 0 HE2 PHE A 60 9.478 0.457 -3.209 1.00 3.60 H new ATOM 0 HZ PHE A 60 11.140 -0.511 -4.784 1.00 3.13 H new ATOM 929 N ILE A 61 3.919 -4.041 -3.121 1.00 0.85 N ATOM 930 CA ILE A 61 3.349 -4.585 -1.897 1.00 0.81 C ATOM 931 C ILE A 61 3.514 -6.112 -1.877 1.00 0.89 C ATOM 932 O ILE A 61 4.203 -6.656 -1.012 1.00 1.22 O ATOM 933 CB ILE A 61 1.872 -4.173 -1.774 1.00 0.71 C ATOM 934 CG1 ILE A 61 1.727 -2.655 -1.582 1.00 0.73 C ATOM 935 CG2 ILE A 61 1.231 -4.931 -0.607 1.00 0.83 C ATOM 936 CD1 ILE A 61 0.327 -2.196 -2.007 1.00 1.11 C ATOM 0 H ILE A 61 3.247 -3.597 -3.747 1.00 0.85 H new ATOM 0 HA ILE A 61 3.880 -4.179 -1.036 1.00 0.81 H new ATOM 0 HB ILE A 61 1.358 -4.431 -2.700 1.00 0.71 H new ATOM 0 HG12 ILE A 61 1.901 -2.395 -0.538 1.00 0.73 H new ATOM 0 HG13 ILE A 61 2.482 -2.133 -2.170 1.00 0.73 H new ATOM 0 HG21 ILE A 61 0.184 -4.642 -0.517 1.00 0.83 H new ATOM 0 HG22 ILE A 61 1.297 -6.004 -0.790 1.00 0.83 H new ATOM 0 HG23 ILE A 61 1.756 -4.688 0.317 1.00 0.83 H new ATOM 0 HD11 ILE A 61 0.239 -1.119 -1.866 1.00 1.11 H new ATOM 0 HD12 ILE A 61 0.168 -2.438 -3.058 1.00 1.11 H new ATOM 0 HD13 ILE A 61 -0.422 -2.704 -1.400 1.00 1.11 H new ATOM 948 N ARG A 62 2.891 -6.804 -2.837 1.00 0.73 N ATOM 949 CA ARG A 62 2.853 -8.264 -2.882 1.00 0.76 C ATOM 950 C ARG A 62 4.240 -8.898 -2.747 1.00 0.81 C ATOM 951 O ARG A 62 4.389 -9.876 -2.018 1.00 0.82 O ATOM 952 CB ARG A 62 2.192 -8.733 -4.183 1.00 0.79 C ATOM 953 CG ARG A 62 0.676 -8.491 -4.200 1.00 0.69 C ATOM 954 CD ARG A 62 0.101 -8.787 -5.591 1.00 0.86 C ATOM 955 NE ARG A 62 0.461 -10.152 -6.021 1.00 2.34 N ATOM 956 CZ ARG A 62 1.168 -10.468 -7.120 1.00 3.27 C ATOM 957 NH1 ARG A 62 1.301 -9.599 -8.115 1.00 2.61 N ATOM 958 NH2 ARG A 62 1.754 -11.666 -7.219 1.00 5.34 N ATOM 0 H ARG A 62 2.396 -6.360 -3.610 1.00 0.73 H new ATOM 0 HA ARG A 62 2.265 -8.592 -2.025 1.00 0.76 H new ATOM 0 HB2 ARG A 62 2.648 -8.213 -5.025 1.00 0.79 H new ATOM 0 HB3 ARG A 62 2.387 -9.796 -4.322 1.00 0.79 H new ATOM 0 HG2 ARG A 62 0.192 -9.125 -3.457 1.00 0.69 H new ATOM 0 HG3 ARG A 62 0.463 -7.458 -3.924 1.00 0.69 H new ATOM 0 HD2 ARG A 62 -0.984 -8.680 -5.573 1.00 0.86 H new ATOM 0 HD3 ARG A 62 0.481 -8.061 -6.310 1.00 0.86 H new ATOM 0 HE ARG A 62 0.146 -10.923 -5.433 1.00 2.34 H new ATOM 0 HH11 ARG A 62 0.864 -8.679 -8.051 1.00 2.61 H new ATOM 0 HH12 ARG A 62 1.840 -9.851 -8.943 1.00 2.61 H new ATOM 0 HH21 ARG A 62 1.665 -12.342 -6.460 1.00 5.34 H new ATOM 0 HH22 ARG A 62 2.290 -11.904 -8.053 1.00 5.34 H new ATOM 972 N GLU A 63 5.244 -8.354 -3.441 1.00 0.89 N ATOM 973 CA GLU A 63 6.633 -8.776 -3.408 1.00 1.00 C ATOM 974 C GLU A 63 7.143 -9.000 -1.979 1.00 0.91 C ATOM 975 O GLU A 63 7.975 -9.875 -1.750 1.00 1.09 O ATOM 976 CB GLU A 63 7.453 -7.696 -4.119 1.00 1.21 C ATOM 977 CG GLU A 63 7.271 -7.713 -5.635 1.00 1.45 C ATOM 978 CD GLU A 63 7.884 -6.480 -6.293 1.00 2.05 C ATOM 979 OE1 GLU A 63 9.053 -6.184 -5.964 1.00 2.83 O ATOM 980 OE2 GLU A 63 7.172 -5.845 -7.101 1.00 3.00 O ATOM 0 H GLU A 63 5.094 -7.567 -4.072 1.00 0.89 H new ATOM 0 HA GLU A 63 6.733 -9.738 -3.911 1.00 1.00 H new ATOM 0 HB2 GLU A 63 7.166 -6.717 -3.735 1.00 1.21 H new ATOM 0 HB3 GLU A 63 8.508 -7.834 -3.883 1.00 1.21 H new ATOM 0 HG2 GLU A 63 7.731 -8.611 -6.046 1.00 1.45 H new ATOM 0 HG3 GLU A 63 6.208 -7.762 -5.873 1.00 1.45 H new ATOM 987 N LEU A 64 6.648 -8.222 -1.013 1.00 0.84 N ATOM 988 CA LEU A 64 7.096 -8.286 0.368 1.00 0.94 C ATOM 989 C LEU A 64 6.410 -9.416 1.143 1.00 1.07 C ATOM 990 O LEU A 64 6.896 -9.796 2.206 1.00 1.13 O ATOM 991 CB LEU A 64 6.869 -6.928 1.035 1.00 1.38 C ATOM 992 CG LEU A 64 7.539 -5.773 0.271 1.00 1.12 C ATOM 993 CD1 LEU A 64 7.182 -4.448 0.944 1.00 1.49 C ATOM 994 CD2 LEU A 64 9.063 -5.911 0.201 1.00 1.80 C ATOM 0 H LEU A 64 5.920 -7.527 -1.175 1.00 0.84 H new ATOM 0 HA LEU A 64 8.162 -8.515 0.378 1.00 0.94 H new ATOM 0 HB2 LEU A 64 5.798 -6.738 1.107 1.00 1.38 H new ATOM 0 HB3 LEU A 64 7.257 -6.958 2.053 1.00 1.38 H new ATOM 0 HG LEU A 64 7.165 -5.803 -0.752 1.00 1.12 H new ATOM 0 HD11 LEU A 64 7.655 -3.627 0.405 1.00 1.49 H new ATOM 0 HD12 LEU A 64 6.100 -4.314 0.932 1.00 1.49 H new ATOM 0 HD13 LEU A 64 7.536 -4.457 1.975 1.00 1.49 H new ATOM 0 HD21 LEU A 64 9.480 -5.068 -0.350 1.00 1.80 H new ATOM 0 HD22 LEU A 64 9.474 -5.924 1.210 1.00 1.80 H new ATOM 0 HD23 LEU A 64 9.321 -6.840 -0.308 1.00 1.80 H new ATOM 1006 N GLY A 65 5.292 -9.952 0.638 1.00 1.46 N ATOM 1007 CA GLY A 65 4.679 -11.169 1.159 1.00 2.24 C ATOM 1008 C GLY A 65 3.219 -10.970 1.553 1.00 1.32 C ATOM 1009 O GLY A 65 2.410 -11.882 1.388 1.00 1.59 O ATOM 0 H GLY A 65 4.787 -9.546 -0.150 1.00 1.46 H new ATOM 0 HA2 GLY A 65 4.744 -11.955 0.406 1.00 2.24 H new ATOM 0 HA3 GLY A 65 5.242 -11.512 2.027 1.00 2.24 H new ATOM 1013 N PHE A 66 2.873 -9.793 2.080 1.00 1.53 N ATOM 1014 CA PHE A 66 1.498 -9.471 2.438 1.00 1.70 C ATOM 1015 C PHE A 66 0.818 -8.974 1.169 1.00 1.85 C ATOM 1016 O PHE A 66 1.398 -8.200 0.409 1.00 2.66 O ATOM 1017 CB PHE A 66 1.439 -8.478 3.610 1.00 2.28 C ATOM 1018 CG PHE A 66 2.040 -7.112 3.342 1.00 2.22 C ATOM 1019 CD1 PHE A 66 3.437 -6.937 3.345 1.00 3.16 C ATOM 1020 CD2 PHE A 66 1.202 -6.020 3.054 1.00 3.14 C ATOM 1021 CE1 PHE A 66 3.991 -5.725 2.901 1.00 4.29 C ATOM 1022 CE2 PHE A 66 1.760 -4.784 2.688 1.00 4.62 C ATOM 1023 CZ PHE A 66 3.150 -4.659 2.537 1.00 5.01 C ATOM 0 H PHE A 66 3.538 -9.043 2.268 1.00 1.53 H new ATOM 0 HA PHE A 66 0.963 -10.346 2.807 1.00 1.70 H new ATOM 0 HB2 PHE A 66 0.396 -8.346 3.899 1.00 2.28 H new ATOM 0 HB3 PHE A 66 1.953 -8.920 4.464 1.00 2.28 H new ATOM 0 HD1 PHE A 66 4.081 -7.733 3.688 1.00 3.16 H new ATOM 0 HD2 PHE A 66 0.129 -6.132 3.114 1.00 3.14 H new ATOM 0 HE1 PHE A 66 5.063 -5.612 2.839 1.00 4.29 H new ATOM 0 HE2 PHE A 66 1.120 -3.930 2.523 1.00 4.62 H new ATOM 0 HZ PHE A 66 3.572 -3.747 2.142 1.00 5.01 H new ATOM 1033 N GLY A 67 -0.368 -9.504 0.877 1.00 1.42 N ATOM 1034 CA GLY A 67 -0.930 -9.376 -0.454 1.00 1.46 C ATOM 1035 C GLY A 67 -1.745 -8.094 -0.576 1.00 1.45 C ATOM 1036 O GLY A 67 -2.136 -7.504 0.432 1.00 2.18 O ATOM 0 H GLY A 67 -0.948 -10.019 1.539 1.00 1.42 H new ATOM 0 HA2 GLY A 67 -0.129 -9.375 -1.193 1.00 1.46 H new ATOM 0 HA3 GLY A 67 -1.563 -10.237 -0.671 1.00 1.46 H new ATOM 1040 N ALA A 68 -2.005 -7.664 -1.814 1.00 0.85 N ATOM 1041 CA ALA A 68 -2.755 -6.459 -2.126 1.00 0.70 C ATOM 1042 C ALA A 68 -3.709 -6.752 -3.274 1.00 0.68 C ATOM 1043 O ALA A 68 -3.367 -7.507 -4.184 1.00 1.08 O ATOM 1044 CB ALA A 68 -1.797 -5.336 -2.521 1.00 0.84 C ATOM 0 H ALA A 68 -1.688 -8.163 -2.645 1.00 0.85 H new ATOM 0 HA ALA A 68 -3.321 -6.144 -1.249 1.00 0.70 H new ATOM 0 HB1 ALA A 68 -2.367 -4.436 -2.753 1.00 0.84 H new ATOM 0 HB2 ALA A 68 -1.116 -5.131 -1.695 1.00 0.84 H new ATOM 0 HB3 ALA A 68 -1.223 -5.638 -3.397 1.00 0.84 H new ATOM 1050 N THR A 69 -4.892 -6.141 -3.228 1.00 0.61 N ATOM 1051 CA THR A 69 -5.891 -6.156 -4.273 1.00 0.75 C ATOM 1052 C THR A 69 -6.283 -4.696 -4.512 1.00 0.58 C ATOM 1053 O THR A 69 -6.577 -3.988 -3.554 1.00 0.56 O ATOM 1054 CB THR A 69 -7.070 -7.026 -3.811 1.00 1.11 C ATOM 1055 OG1 THR A 69 -7.474 -6.770 -2.480 1.00 2.74 O ATOM 1056 CG2 THR A 69 -6.729 -8.515 -3.926 1.00 1.84 C ATOM 0 H THR A 69 -5.185 -5.597 -2.416 1.00 0.61 H new ATOM 0 HA THR A 69 -5.532 -6.585 -5.208 1.00 0.75 H new ATOM 0 HB THR A 69 -7.895 -6.763 -4.473 1.00 1.11 H new ATOM 0 HG1 THR A 69 -6.706 -6.454 -1.960 1.00 2.74 H new ATOM 0 HG21 THR A 69 -7.580 -9.110 -3.593 1.00 1.84 H new ATOM 0 HG22 THR A 69 -6.501 -8.757 -4.964 1.00 1.84 H new ATOM 0 HG23 THR A 69 -5.863 -8.739 -3.303 1.00 1.84 H new ATOM 1064 N VAL A 70 -6.229 -4.212 -5.755 1.00 0.60 N ATOM 1065 CA VAL A 70 -6.511 -2.834 -6.097 1.00 0.59 C ATOM 1066 C VAL A 70 -8.021 -2.691 -6.268 1.00 0.67 C ATOM 1067 O VAL A 70 -8.607 -3.363 -7.115 1.00 0.70 O ATOM 1068 CB VAL A 70 -5.709 -2.515 -7.367 1.00 0.74 C ATOM 1069 CG1 VAL A 70 -6.185 -1.241 -8.047 1.00 1.27 C ATOM 1070 CG2 VAL A 70 -4.238 -2.330 -6.993 1.00 1.74 C ATOM 0 H VAL A 70 -5.982 -4.786 -6.561 1.00 0.60 H new ATOM 0 HA VAL A 70 -6.213 -2.122 -5.328 1.00 0.59 H new ATOM 0 HB VAL A 70 -5.849 -3.346 -8.058 1.00 0.74 H new ATOM 0 HG11 VAL A 70 -5.586 -1.059 -8.940 1.00 1.27 H new ATOM 0 HG12 VAL A 70 -7.233 -1.348 -8.328 1.00 1.27 H new ATOM 0 HG13 VAL A 70 -6.078 -0.401 -7.361 1.00 1.27 H new ATOM 0 HG21 VAL A 70 -3.661 -2.103 -7.889 1.00 1.74 H new ATOM 0 HG22 VAL A 70 -4.144 -1.509 -6.283 1.00 1.74 H new ATOM 0 HG23 VAL A 70 -3.860 -3.246 -6.540 1.00 1.74 H new ATOM 1080 N ILE A 71 -8.651 -1.858 -5.436 1.00 0.81 N ATOM 1081 CA ILE A 71 -10.097 -1.711 -5.358 1.00 1.00 C ATOM 1082 C ILE A 71 -10.397 -0.230 -5.131 1.00 1.17 C ATOM 1083 O ILE A 71 -10.837 0.175 -4.058 1.00 1.81 O ATOM 1084 CB ILE A 71 -10.654 -2.583 -4.222 1.00 1.23 C ATOM 1085 CG1 ILE A 71 -10.184 -4.045 -4.339 1.00 1.73 C ATOM 1086 CG2 ILE A 71 -12.189 -2.529 -4.184 1.00 1.66 C ATOM 1087 CD1 ILE A 71 -10.796 -4.942 -3.265 1.00 2.21 C ATOM 0 H ILE A 71 -8.152 -1.254 -4.783 1.00 0.81 H new ATOM 0 HA ILE A 71 -10.577 -2.043 -6.279 1.00 1.00 H new ATOM 0 HB ILE A 71 -10.263 -2.174 -3.290 1.00 1.23 H new ATOM 0 HG12 ILE A 71 -10.448 -4.431 -5.324 1.00 1.73 H new ATOM 0 HG13 ILE A 71 -9.097 -4.081 -4.263 1.00 1.73 H new ATOM 0 HG21 ILE A 71 -12.555 -3.155 -3.370 1.00 1.66 H new ATOM 0 HG22 ILE A 71 -12.513 -1.501 -4.024 1.00 1.66 H new ATOM 0 HG23 ILE A 71 -12.589 -2.893 -5.130 1.00 1.66 H new ATOM 0 HD11 ILE A 71 -10.432 -5.962 -3.392 1.00 2.21 H new ATOM 0 HD12 ILE A 71 -10.511 -4.575 -2.279 1.00 2.21 H new ATOM 0 HD13 ILE A 71 -11.882 -4.930 -3.356 1.00 2.21 H new ATOM 1099 N GLU A 72 -10.128 0.577 -6.156 1.00 1.09 N ATOM 1100 CA GLU A 72 -10.380 2.014 -6.125 1.00 1.24 C ATOM 1101 C GLU A 72 -11.825 2.294 -5.676 1.00 1.73 C ATOM 1102 O GLU A 72 -12.066 2.983 -4.687 1.00 3.36 O ATOM 1103 CB GLU A 72 -10.070 2.642 -7.497 1.00 1.51 C ATOM 1104 CG GLU A 72 -9.566 4.089 -7.385 1.00 2.44 C ATOM 1105 CD GLU A 72 -10.428 4.957 -6.480 1.00 3.95 C ATOM 1106 OE1 GLU A 72 -11.612 5.142 -6.836 1.00 4.82 O ATOM 1107 OE2 GLU A 72 -9.894 5.396 -5.435 1.00 4.94 O ATOM 0 H GLU A 72 -9.727 0.249 -7.035 1.00 1.09 H new ATOM 0 HA GLU A 72 -9.716 2.478 -5.396 1.00 1.24 H new ATOM 0 HB2 GLU A 72 -9.319 2.038 -8.007 1.00 1.51 H new ATOM 0 HB3 GLU A 72 -10.969 2.621 -8.113 1.00 1.51 H new ATOM 0 HG2 GLU A 72 -8.544 4.082 -7.005 1.00 2.44 H new ATOM 0 HG3 GLU A 72 -9.533 4.533 -8.380 1.00 2.44 H new