USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 466 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 Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 170:sc= -0.0164 USER MOD Single : A 6 TYR OH : rot 180:sc= -0.64 USER MOD Single : A 7 ASN : amide:sc= -0.0195 K(o=-0.02,f=-1.8) USER MOD Single : A 12 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.66) USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0012) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -112:sc=-0.00269 (180deg=-0.239) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.0528 K(o=-0.053,f=-1.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 38:sc= -0.0921 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -1 USER MOD Single : A 49 GLN : amide:sc= -0.813 X(o=-0.81,f=-0.44) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.923 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.96 K(o=-2,f=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 17.428 3.620 0.542 1.00 2.80 N ATOM 2 CA ASP A 1 18.077 3.393 -0.782 1.00 2.11 C ATOM 3 C ASP A 1 17.054 2.853 -1.787 1.00 1.49 C ATOM 4 O ASP A 1 16.936 3.355 -2.888 1.00 1.53 O ATOM 5 CB ASP A 1 19.175 2.360 -0.514 1.00 2.62 C ATOM 6 CG ASP A 1 20.069 2.218 -1.750 1.00 3.43 C ATOM 7 OD1 ASP A 1 19.584 2.454 -2.845 1.00 3.98 O ATOM 8 OD2 ASP A 1 21.228 1.877 -1.579 1.00 3.88 O ATOM 0 H1 ASP A 1 18.131 3.986 1.215 1.00 2.80 H new ATOM 0 H2 ASP A 1 16.657 4.310 0.437 1.00 2.80 H new ATOM 0 H3 ASP A 1 17.043 2.722 0.898 1.00 2.80 H new ATOM 0 HA ASP A 1 18.481 4.311 -1.209 1.00 2.11 H new ATOM 0 HB2 ASP A 1 19.773 2.666 0.345 1.00 2.62 H new ATOM 0 HB3 ASP A 1 18.728 1.398 -0.265 1.00 2.62 H new ATOM 14 N SER A 2 16.310 1.842 -1.413 1.00 1.24 N ATOM 15 CA SER A 2 15.278 1.267 -2.338 1.00 1.03 C ATOM 16 C SER A 2 14.099 2.238 -2.492 1.00 0.84 C ATOM 17 O SER A 2 12.973 1.924 -2.156 1.00 0.76 O ATOM 18 CB SER A 2 14.821 -0.031 -1.669 1.00 1.50 C ATOM 19 OG SER A 2 15.794 -1.042 -1.895 1.00 1.95 O ATOM 0 H SER A 2 16.372 1.386 -0.503 1.00 1.24 H new ATOM 0 HA SER A 2 15.675 1.091 -3.338 1.00 1.03 H new ATOM 0 HB2 SER A 2 14.684 0.126 -0.599 1.00 1.50 H new ATOM 0 HB3 SER A 2 13.857 -0.341 -2.071 1.00 1.50 H new ATOM 0 HG SER A 2 15.590 -1.823 -1.339 1.00 1.95 H new ATOM 25 N LEU A 3 14.360 3.416 -2.989 1.00 0.82 N ATOM 26 CA LEU A 3 13.274 4.431 -3.164 1.00 0.75 C ATOM 27 C LEU A 3 12.270 3.962 -4.224 1.00 0.60 C ATOM 28 O LEU A 3 11.075 4.143 -4.086 1.00 0.55 O ATOM 29 CB LEU A 3 14.003 5.690 -3.639 1.00 0.85 C ATOM 30 CG LEU A 3 13.138 6.924 -3.387 1.00 1.06 C ATOM 31 CD1 LEU A 3 13.390 7.439 -1.968 1.00 1.23 C ATOM 32 CD2 LEU A 3 13.511 8.013 -4.395 1.00 1.69 C ATOM 0 H LEU A 3 15.286 3.724 -3.285 1.00 0.82 H new ATOM 0 HA LEU A 3 12.707 4.598 -2.248 1.00 0.75 H new ATOM 0 HB2 LEU A 3 14.953 5.789 -3.114 1.00 0.85 H new ATOM 0 HB3 LEU A 3 14.232 5.608 -4.701 1.00 0.85 H new ATOM 0 HG LEU A 3 12.085 6.664 -3.499 1.00 1.06 H new ATOM 0 HD11 LEU A 3 12.774 8.320 -1.786 1.00 1.23 H new ATOM 0 HD12 LEU A 3 13.134 6.662 -1.248 1.00 1.23 H new ATOM 0 HD13 LEU A 3 14.442 7.703 -1.858 1.00 1.23 H new ATOM 0 HD21 LEU A 3 12.897 8.896 -4.220 1.00 1.69 H new ATOM 0 HD22 LEU A 3 14.563 8.273 -4.277 1.00 1.69 H new ATOM 0 HD23 LEU A 3 13.339 7.646 -5.407 1.00 1.69 H new ATOM 44 N VAL A 4 12.757 3.373 -5.284 1.00 0.64 N ATOM 45 CA VAL A 4 11.849 2.894 -6.379 1.00 0.67 C ATOM 46 C VAL A 4 10.849 1.858 -5.840 1.00 0.58 C ATOM 47 O VAL A 4 9.665 1.917 -6.126 1.00 0.52 O ATOM 48 CB VAL A 4 12.789 2.262 -7.415 1.00 0.91 C ATOM 49 CG1 VAL A 4 11.979 1.665 -8.571 1.00 1.52 C ATOM 50 CG2 VAL A 4 13.737 3.334 -7.957 1.00 1.37 C ATOM 0 H VAL A 4 13.750 3.200 -5.443 1.00 0.64 H new ATOM 0 HA VAL A 4 11.252 3.701 -6.805 1.00 0.67 H new ATOM 0 HB VAL A 4 13.362 1.467 -6.938 1.00 0.91 H new ATOM 0 HG11 VAL A 4 12.657 1.220 -9.299 1.00 1.52 H new ATOM 0 HG12 VAL A 4 11.306 0.899 -8.186 1.00 1.52 H new ATOM 0 HG13 VAL A 4 11.397 2.451 -9.051 1.00 1.52 H new ATOM 0 HG21 VAL A 4 14.406 2.889 -8.693 1.00 1.37 H new ATOM 0 HG22 VAL A 4 13.157 4.128 -8.427 1.00 1.37 H new ATOM 0 HG23 VAL A 4 14.324 3.749 -7.137 1.00 1.37 H new ATOM 60 N LEU A 5 11.316 0.914 -5.064 1.00 0.62 N ATOM 61 CA LEU A 5 10.396 -0.128 -4.503 1.00 0.61 C ATOM 62 C LEU A 5 9.317 0.537 -3.650 1.00 0.46 C ATOM 63 O LEU A 5 8.160 0.158 -3.681 1.00 0.41 O ATOM 64 CB LEU A 5 11.278 -1.034 -3.642 1.00 0.77 C ATOM 65 CG LEU A 5 12.221 -1.837 -4.540 1.00 1.13 C ATOM 66 CD1 LEU A 5 13.175 -2.654 -3.668 1.00 1.92 C ATOM 67 CD2 LEU A 5 11.406 -2.782 -5.426 1.00 1.49 C ATOM 0 H LEU A 5 12.295 0.817 -4.793 1.00 0.62 H new ATOM 0 HA LEU A 5 9.889 -0.692 -5.286 1.00 0.61 H new ATOM 0 HB2 LEU A 5 11.854 -0.434 -2.937 1.00 0.77 H new ATOM 0 HB3 LEU A 5 10.657 -1.709 -3.053 1.00 0.77 H new ATOM 0 HG LEU A 5 12.792 -1.155 -5.169 1.00 1.13 H new ATOM 0 HD11 LEU A 5 13.849 -3.228 -4.305 1.00 1.92 H new ATOM 0 HD12 LEU A 5 13.757 -1.982 -3.037 1.00 1.92 H new ATOM 0 HD13 LEU A 5 12.601 -3.335 -3.040 1.00 1.92 H new ATOM 0 HD21 LEU A 5 12.080 -3.353 -6.065 1.00 1.49 H new ATOM 0 HD22 LEU A 5 10.834 -3.466 -4.799 1.00 1.49 H new ATOM 0 HD23 LEU A 5 10.723 -2.201 -6.046 1.00 1.49 H new ATOM 79 N TYR A 6 9.693 1.533 -2.892 1.00 0.44 N ATOM 80 CA TYR A 6 8.704 2.251 -2.029 1.00 0.41 C ATOM 81 C TYR A 6 7.572 2.814 -2.890 1.00 0.32 C ATOM 82 O TYR A 6 6.420 2.810 -2.501 1.00 0.35 O ATOM 83 CB TYR A 6 9.492 3.392 -1.382 1.00 0.54 C ATOM 84 CG TYR A 6 9.911 3.002 0.016 1.00 1.20 C ATOM 85 CD1 TYR A 6 10.723 1.880 0.226 1.00 1.81 C ATOM 86 CD2 TYR A 6 9.486 3.771 1.105 1.00 2.14 C ATOM 87 CE1 TYR A 6 11.109 1.529 1.525 1.00 2.57 C ATOM 88 CE2 TYR A 6 9.873 3.420 2.404 1.00 2.94 C ATOM 89 CZ TYR A 6 10.684 2.298 2.614 1.00 2.97 C ATOM 90 OH TYR A 6 11.066 1.952 3.894 1.00 3.87 O ATOM 0 H TYR A 6 10.649 1.884 -2.832 1.00 0.44 H new ATOM 0 HA TYR A 6 8.252 1.594 -1.286 1.00 0.41 H new ATOM 0 HB2 TYR A 6 10.371 3.624 -1.983 1.00 0.54 H new ATOM 0 HB3 TYR A 6 8.881 4.294 -1.349 1.00 0.54 H new ATOM 0 HD1 TYR A 6 11.051 1.286 -0.614 1.00 1.81 H new ATOM 0 HD2 TYR A 6 8.859 4.636 0.943 1.00 2.14 H new ATOM 0 HE1 TYR A 6 11.735 0.664 1.687 1.00 2.57 H new ATOM 0 HE2 TYR A 6 9.546 4.015 3.244 1.00 2.94 H new ATOM 0 HH TYR A 6 10.686 2.591 4.533 1.00 3.87 H new ATOM 100 N ASN A 7 7.899 3.306 -4.055 1.00 0.33 N ATOM 101 CA ASN A 7 6.849 3.879 -4.948 1.00 0.39 C ATOM 102 C ASN A 7 5.804 2.810 -5.296 1.00 0.35 C ATOM 103 O ASN A 7 4.624 3.089 -5.343 1.00 0.39 O ATOM 104 CB ASN A 7 7.591 4.326 -6.209 1.00 0.53 C ATOM 105 CG ASN A 7 8.520 5.497 -5.871 1.00 0.61 C ATOM 106 OD1 ASN A 7 8.317 6.187 -4.891 1.00 1.12 O ATOM 107 ND2 ASN A 7 9.541 5.751 -6.645 1.00 1.35 N ATOM 0 H ASN A 7 8.848 3.336 -4.427 1.00 0.33 H new ATOM 0 HA ASN A 7 6.318 4.704 -4.474 1.00 0.39 H new ATOM 0 HB2 ASN A 7 8.169 3.496 -6.617 1.00 0.53 H new ATOM 0 HB3 ASN A 7 6.877 4.625 -6.977 1.00 0.53 H new ATOM 0 HD21 ASN A 7 10.166 6.527 -6.427 1.00 1.35 H new ATOM 0 HD22 ASN A 7 9.713 5.173 -7.468 1.00 1.35 H new ATOM 114 N ARG A 8 6.229 1.591 -5.541 1.00 0.35 N ATOM 115 CA ARG A 8 5.246 0.512 -5.893 1.00 0.40 C ATOM 116 C ARG A 8 4.231 0.307 -4.762 1.00 0.33 C ATOM 117 O ARG A 8 3.030 0.324 -4.987 1.00 0.37 O ATOM 118 CB ARG A 8 6.092 -0.748 -6.094 1.00 0.48 C ATOM 119 CG ARG A 8 6.921 -0.607 -7.373 1.00 1.09 C ATOM 120 CD ARG A 8 7.772 -1.865 -7.579 1.00 1.30 C ATOM 121 NE ARG A 8 6.803 -2.944 -7.917 1.00 1.95 N ATOM 122 CZ ARG A 8 6.821 -3.489 -9.103 1.00 2.36 C ATOM 123 NH1 ARG A 8 6.214 -2.903 -10.099 1.00 2.93 N ATOM 124 NH2 ARG A 8 7.445 -4.620 -9.294 1.00 2.85 N ATOM 0 H ARG A 8 7.205 1.298 -5.513 1.00 0.35 H new ATOM 0 HA ARG A 8 4.669 0.764 -6.783 1.00 0.40 H new ATOM 0 HB2 ARG A 8 6.749 -0.899 -5.237 1.00 0.48 H new ATOM 0 HB3 ARG A 8 5.448 -1.625 -6.160 1.00 0.48 H new ATOM 0 HG2 ARG A 8 6.263 -0.457 -8.229 1.00 1.09 H new ATOM 0 HG3 ARG A 8 7.563 0.271 -7.307 1.00 1.09 H new ATOM 0 HD2 ARG A 8 8.497 -1.722 -8.380 1.00 1.30 H new ATOM 0 HD3 ARG A 8 8.336 -2.110 -6.679 1.00 1.30 H new ATOM 0 HE ARG A 8 6.125 -3.257 -7.222 1.00 1.95 H new ATOM 0 HH11 ARG A 8 5.726 -2.020 -9.950 1.00 2.93 H new ATOM 0 HH12 ARG A 8 6.228 -3.328 -11.026 1.00 2.93 H new ATOM 0 HH21 ARG A 8 7.919 -5.079 -8.516 1.00 2.85 H new ATOM 0 HH22 ARG A 8 7.458 -5.045 -10.221 1.00 2.85 H new ATOM 138 N VAL A 9 4.695 0.134 -3.547 1.00 0.29 N ATOM 139 CA VAL A 9 3.745 -0.050 -2.410 1.00 0.32 C ATOM 140 C VAL A 9 3.027 1.279 -2.166 1.00 0.29 C ATOM 141 O VAL A 9 1.847 1.326 -1.879 1.00 0.32 O ATOM 142 CB VAL A 9 4.599 -0.475 -1.201 1.00 0.41 C ATOM 143 CG1 VAL A 9 5.368 -1.753 -1.548 1.00 0.79 C ATOM 144 CG2 VAL A 9 5.598 0.624 -0.817 1.00 1.07 C ATOM 0 H VAL A 9 5.684 0.113 -3.297 1.00 0.29 H new ATOM 0 HA VAL A 9 2.983 -0.805 -2.603 1.00 0.32 H new ATOM 0 HB VAL A 9 3.934 -0.650 -0.355 1.00 0.41 H new ATOM 0 HG11 VAL A 9 5.974 -2.056 -0.694 1.00 0.79 H new ATOM 0 HG12 VAL A 9 4.663 -2.547 -1.793 1.00 0.79 H new ATOM 0 HG13 VAL A 9 6.016 -1.567 -2.404 1.00 0.79 H new ATOM 0 HG21 VAL A 9 6.187 0.297 0.039 1.00 1.07 H new ATOM 0 HG22 VAL A 9 6.261 0.823 -1.659 1.00 1.07 H new ATOM 0 HG23 VAL A 9 5.056 1.534 -0.558 1.00 1.07 H new ATOM 154 N ALA A 10 3.752 2.357 -2.301 1.00 0.28 N ATOM 155 CA ALA A 10 3.159 3.713 -2.105 1.00 0.34 C ATOM 156 C ALA A 10 2.018 3.949 -3.098 1.00 0.33 C ATOM 157 O ALA A 10 1.010 4.544 -2.764 1.00 0.36 O ATOM 158 CB ALA A 10 4.306 4.689 -2.371 1.00 0.42 C ATOM 0 H ALA A 10 4.743 2.356 -2.542 1.00 0.28 H new ATOM 0 HA ALA A 10 2.738 3.834 -1.107 1.00 0.34 H new ATOM 0 HB1 ALA A 10 3.950 5.712 -2.247 1.00 0.42 H new ATOM 0 HB2 ALA A 10 5.116 4.499 -1.667 1.00 0.42 H new ATOM 0 HB3 ALA A 10 4.671 4.553 -3.389 1.00 0.42 H new ATOM 164 N VAL A 11 2.174 3.502 -4.323 1.00 0.35 N ATOM 165 CA VAL A 11 1.100 3.720 -5.344 1.00 0.42 C ATOM 166 C VAL A 11 -0.206 3.057 -4.881 1.00 0.41 C ATOM 167 O VAL A 11 -1.248 3.687 -4.876 1.00 0.41 O ATOM 168 CB VAL A 11 1.636 3.075 -6.638 1.00 0.52 C ATOM 169 CG1 VAL A 11 0.537 3.004 -7.706 1.00 0.93 C ATOM 170 CG2 VAL A 11 2.795 3.916 -7.181 1.00 0.95 C ATOM 0 H VAL A 11 2.995 2.998 -4.658 1.00 0.35 H new ATOM 0 HA VAL A 11 0.873 4.775 -5.497 1.00 0.42 H new ATOM 0 HB VAL A 11 1.973 2.065 -6.406 1.00 0.52 H new ATOM 0 HG11 VAL A 11 0.937 2.546 -8.610 1.00 0.93 H new ATOM 0 HG12 VAL A 11 -0.294 2.406 -7.333 1.00 0.93 H new ATOM 0 HG13 VAL A 11 0.186 4.010 -7.934 1.00 0.93 H new ATOM 0 HG21 VAL A 11 3.176 3.462 -8.096 1.00 0.95 H new ATOM 0 HG22 VAL A 11 2.443 4.925 -7.395 1.00 0.95 H new ATOM 0 HG23 VAL A 11 3.592 3.960 -6.439 1.00 0.95 H new ATOM 180 N GLN A 12 -0.166 1.804 -4.480 1.00 0.41 N ATOM 181 CA GLN A 12 -1.427 1.143 -4.006 1.00 0.43 C ATOM 182 C GLN A 12 -1.976 1.904 -2.795 1.00 0.39 C ATOM 183 O GLN A 12 -3.144 2.227 -2.731 1.00 0.41 O ATOM 184 CB GLN A 12 -1.027 -0.281 -3.610 1.00 0.49 C ATOM 185 CG GLN A 12 -2.262 -1.041 -3.114 1.00 0.95 C ATOM 186 CD GLN A 12 -3.202 -1.319 -4.290 1.00 1.11 C ATOM 187 OE1 GLN A 12 -2.889 -2.107 -5.160 1.00 1.61 O ATOM 188 NE2 GLN A 12 -4.352 -0.705 -4.349 1.00 1.84 N ATOM 0 H GLN A 12 0.670 1.220 -4.461 1.00 0.41 H new ATOM 0 HA GLN A 12 -2.203 1.135 -4.771 1.00 0.43 H new ATOM 0 HB2 GLN A 12 -0.588 -0.797 -4.464 1.00 0.49 H new ATOM 0 HB3 GLN A 12 -0.267 -0.253 -2.829 1.00 0.49 H new ATOM 0 HG2 GLN A 12 -1.961 -1.979 -2.647 1.00 0.95 H new ATOM 0 HG3 GLN A 12 -2.779 -0.457 -2.353 1.00 0.95 H new ATOM 0 HE21 GLN A 12 -4.615 -0.043 -3.619 1.00 1.84 H new ATOM 0 HE22 GLN A 12 -4.988 -0.887 -5.126 1.00 1.84 H new ATOM 197 N GLY A 13 -1.126 2.152 -1.819 1.00 0.36 N ATOM 198 CA GLY A 13 -1.535 2.863 -0.555 1.00 0.36 C ATOM 199 C GLY A 13 -2.490 4.023 -0.885 1.00 0.34 C ATOM 200 O GLY A 13 -3.590 4.113 -0.374 1.00 0.34 O ATOM 0 H GLY A 13 -0.142 1.885 -1.846 1.00 0.36 H new ATOM 0 HA2 GLY A 13 -2.022 2.163 0.124 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -0.652 3.244 -0.041 1.00 0.36 H new ATOM 204 N ASP A 14 -2.053 4.905 -1.746 1.00 0.35 N ATOM 205 CA ASP A 14 -2.894 6.074 -2.144 1.00 0.36 C ATOM 206 C ASP A 14 -4.153 5.612 -2.894 1.00 0.33 C ATOM 207 O ASP A 14 -5.207 6.204 -2.762 1.00 0.34 O ATOM 208 CB ASP A 14 -1.998 6.925 -3.050 1.00 0.42 C ATOM 209 CG ASP A 14 -0.888 7.572 -2.213 1.00 0.48 C ATOM 210 OD1 ASP A 14 -1.131 7.845 -1.048 1.00 1.00 O ATOM 211 OD2 ASP A 14 0.186 7.781 -2.751 1.00 1.12 O ATOM 0 H ASP A 14 -1.138 4.865 -2.196 1.00 0.35 H new ATOM 0 HA ASP A 14 -3.244 6.636 -1.278 1.00 0.36 H new ATOM 0 HB2 ASP A 14 -1.562 6.305 -3.834 1.00 0.42 H new ATOM 0 HB3 ASP A 14 -2.590 7.695 -3.545 1.00 0.42 H new ATOM 216 N VAL A 15 -4.051 4.569 -3.688 1.00 0.34 N ATOM 217 CA VAL A 15 -5.250 4.085 -4.454 1.00 0.35 C ATOM 218 C VAL A 15 -6.364 3.692 -3.475 1.00 0.33 C ATOM 219 O VAL A 15 -7.525 3.981 -3.697 1.00 0.32 O ATOM 220 CB VAL A 15 -4.761 2.865 -5.247 1.00 0.40 C ATOM 221 CG1 VAL A 15 -5.924 2.241 -6.024 1.00 0.45 C ATOM 222 CG2 VAL A 15 -3.669 3.301 -6.227 1.00 0.46 C ATOM 0 H VAL A 15 -3.195 4.034 -3.839 1.00 0.34 H new ATOM 0 HA VAL A 15 -5.659 4.849 -5.115 1.00 0.35 H new ATOM 0 HB VAL A 15 -4.360 2.126 -4.553 1.00 0.40 H new ATOM 0 HG11 VAL A 15 -5.566 1.376 -6.583 1.00 0.45 H new ATOM 0 HG12 VAL A 15 -6.700 1.926 -5.327 1.00 0.45 H new ATOM 0 HG13 VAL A 15 -6.335 2.976 -6.716 1.00 0.45 H new ATOM 0 HG21 VAL A 15 -3.320 2.436 -6.791 1.00 0.46 H new ATOM 0 HG22 VAL A 15 -4.073 4.044 -6.915 1.00 0.46 H new ATOM 0 HG23 VAL A 15 -2.835 3.734 -5.674 1.00 0.46 H new ATOM 232 N VAL A 16 -6.012 3.063 -2.382 1.00 0.34 N ATOM 233 CA VAL A 16 -7.042 2.679 -1.363 1.00 0.35 C ATOM 234 C VAL A 16 -7.738 3.950 -0.856 1.00 0.33 C ATOM 235 O VAL A 16 -8.951 4.032 -0.805 1.00 0.33 O ATOM 236 CB VAL A 16 -6.243 1.985 -0.242 1.00 0.41 C ATOM 237 CG1 VAL A 16 -7.122 1.764 0.998 1.00 0.70 C ATOM 238 CG2 VAL A 16 -5.745 0.624 -0.750 1.00 0.60 C ATOM 0 H VAL A 16 -5.055 2.798 -2.149 1.00 0.34 H new ATOM 0 HA VAL A 16 -7.820 2.023 -1.754 1.00 0.35 H new ATOM 0 HB VAL A 16 -5.402 2.622 0.033 1.00 0.41 H new ATOM 0 HG11 VAL A 16 -6.537 1.273 1.776 1.00 0.70 H new ATOM 0 HG12 VAL A 16 -7.480 2.725 1.366 1.00 0.70 H new ATOM 0 HG13 VAL A 16 -7.973 1.137 0.734 1.00 0.70 H new ATOM 0 HG21 VAL A 16 -5.179 0.127 0.037 1.00 0.60 H new ATOM 0 HG22 VAL A 16 -6.598 0.006 -1.029 1.00 0.60 H new ATOM 0 HG23 VAL A 16 -5.104 0.772 -1.619 1.00 0.60 H new ATOM 248 N ARG A 17 -6.964 4.936 -0.488 1.00 0.34 N ATOM 249 CA ARG A 17 -7.551 6.215 0.013 1.00 0.36 C ATOM 250 C ARG A 17 -8.436 6.860 -1.068 1.00 0.32 C ATOM 251 O ARG A 17 -9.514 7.348 -0.785 1.00 0.33 O ATOM 252 CB ARG A 17 -6.346 7.105 0.334 1.00 0.41 C ATOM 253 CG ARG A 17 -6.812 8.348 1.093 1.00 1.01 C ATOM 254 CD ARG A 17 -5.594 9.108 1.628 1.00 1.36 C ATOM 255 NE ARG A 17 -4.928 9.671 0.421 1.00 1.99 N ATOM 256 CZ ARG A 17 -5.205 10.886 0.031 1.00 2.51 C ATOM 257 NH1 ARG A 17 -4.562 11.900 0.541 1.00 2.93 N ATOM 258 NH2 ARG A 17 -6.126 11.087 -0.870 1.00 3.15 N ATOM 0 H ARG A 17 -5.945 4.911 -0.513 1.00 0.34 H new ATOM 0 HA ARG A 17 -8.187 6.064 0.885 1.00 0.36 H new ATOM 0 HB2 ARG A 17 -5.622 6.552 0.932 1.00 0.41 H new ATOM 0 HB3 ARG A 17 -5.842 7.397 -0.587 1.00 0.41 H new ATOM 0 HG2 ARG A 17 -7.395 8.992 0.434 1.00 1.01 H new ATOM 0 HG3 ARG A 17 -7.465 8.060 1.917 1.00 1.01 H new ATOM 0 HD2 ARG A 17 -5.893 9.897 2.317 1.00 1.36 H new ATOM 0 HD3 ARG A 17 -4.924 8.444 2.175 1.00 1.36 H new ATOM 0 HE ARG A 17 -4.256 9.108 -0.101 1.00 1.99 H new ATOM 0 HH11 ARG A 17 -3.841 11.745 1.246 1.00 2.93 H new ATOM 0 HH12 ARG A 17 -4.780 12.848 0.235 1.00 2.93 H new ATOM 0 HH21 ARG A 17 -6.630 10.295 -1.270 1.00 3.15 H new ATOM 0 HH22 ARG A 17 -6.343 12.036 -1.175 1.00 3.15 H new ATOM 272 N GLU A 18 -7.982 6.870 -2.302 1.00 0.32 N ATOM 273 CA GLU A 18 -8.791 7.491 -3.403 1.00 0.33 C ATOM 274 C GLU A 18 -10.108 6.741 -3.620 1.00 0.30 C ATOM 275 O GLU A 18 -11.145 7.346 -3.818 1.00 0.35 O ATOM 276 CB GLU A 18 -7.918 7.393 -4.649 1.00 0.39 C ATOM 277 CG GLU A 18 -6.727 8.349 -4.523 1.00 1.06 C ATOM 278 CD GLU A 18 -5.830 8.253 -5.767 1.00 1.56 C ATOM 279 OE1 GLU A 18 -6.037 7.353 -6.569 1.00 2.23 O ATOM 280 OE2 GLU A 18 -4.948 9.085 -5.896 1.00 2.12 O ATOM 0 H GLU A 18 -7.088 6.476 -2.594 1.00 0.32 H new ATOM 0 HA GLU A 18 -9.058 8.520 -3.163 1.00 0.33 H new ATOM 0 HB2 GLU A 18 -7.563 6.370 -4.777 1.00 0.39 H new ATOM 0 HB3 GLU A 18 -8.503 7.640 -5.535 1.00 0.39 H new ATOM 0 HG2 GLU A 18 -7.084 9.372 -4.402 1.00 1.06 H new ATOM 0 HG3 GLU A 18 -6.150 8.106 -3.631 1.00 1.06 H new ATOM 287 N LEU A 19 -10.077 5.433 -3.586 1.00 0.28 N ATOM 288 CA LEU A 19 -11.335 4.647 -3.791 1.00 0.32 C ATOM 289 C LEU A 19 -12.359 4.989 -2.711 1.00 0.36 C ATOM 290 O LEU A 19 -13.540 5.118 -2.978 1.00 0.42 O ATOM 291 CB LEU A 19 -10.915 3.185 -3.684 1.00 0.34 C ATOM 292 CG LEU A 19 -10.088 2.793 -4.911 1.00 0.43 C ATOM 293 CD1 LEU A 19 -9.404 1.449 -4.658 1.00 1.02 C ATOM 294 CD2 LEU A 19 -11.012 2.663 -6.126 1.00 0.69 C ATOM 0 H LEU A 19 -9.238 4.875 -3.426 1.00 0.28 H new ATOM 0 HA LEU A 19 -11.802 4.867 -4.751 1.00 0.32 H new ATOM 0 HB2 LEU A 19 -10.332 3.030 -2.776 1.00 0.34 H new ATOM 0 HB3 LEU A 19 -11.796 2.548 -3.609 1.00 0.34 H new ATOM 0 HG LEU A 19 -9.335 3.558 -5.099 1.00 0.43 H new ATOM 0 HD11 LEU A 19 -8.815 1.170 -5.532 1.00 1.02 H new ATOM 0 HD12 LEU A 19 -8.749 1.532 -3.791 1.00 1.02 H new ATOM 0 HD13 LEU A 19 -10.159 0.686 -4.471 1.00 1.02 H new ATOM 0 HD21 LEU A 19 -10.425 2.384 -7.001 1.00 0.69 H new ATOM 0 HD22 LEU A 19 -11.762 1.896 -5.932 1.00 0.69 H new ATOM 0 HD23 LEU A 19 -11.507 3.616 -6.310 1.00 0.69 H new ATOM 306 N LYS A 20 -11.908 5.137 -1.497 1.00 0.39 N ATOM 307 CA LYS A 20 -12.835 5.474 -0.384 1.00 0.51 C ATOM 308 C LYS A 20 -13.380 6.879 -0.597 1.00 0.57 C ATOM 309 O LYS A 20 -14.551 7.141 -0.398 1.00 0.67 O ATOM 310 CB LYS A 20 -11.991 5.398 0.886 1.00 0.59 C ATOM 311 CG LYS A 20 -12.912 5.210 2.088 1.00 0.84 C ATOM 312 CD LYS A 20 -13.455 3.779 2.076 1.00 1.09 C ATOM 313 CE LYS A 20 -14.155 3.488 3.404 1.00 1.44 C ATOM 314 NZ LYS A 20 -14.730 2.123 3.245 1.00 2.08 N ATOM 0 H LYS A 20 -10.929 5.038 -1.227 1.00 0.39 H new ATOM 0 HA LYS A 20 -13.689 4.799 -0.325 1.00 0.51 H new ATOM 0 HB2 LYS A 20 -11.286 4.570 0.820 1.00 0.59 H new ATOM 0 HB3 LYS A 20 -11.403 6.309 1.002 1.00 0.59 H new ATOM 0 HG2 LYS A 20 -12.368 5.399 3.013 1.00 0.84 H new ATOM 0 HG3 LYS A 20 -13.733 5.925 2.049 1.00 0.84 H new ATOM 0 HD2 LYS A 20 -14.153 3.651 1.249 1.00 1.09 H new ATOM 0 HD3 LYS A 20 -12.641 3.071 1.919 1.00 1.09 H new ATOM 0 HE2 LYS A 20 -13.453 3.526 4.237 1.00 1.44 H new ATOM 0 HE3 LYS A 20 -14.933 4.223 3.609 1.00 1.44 H new ATOM 0 HZ1 LYS A 20 -15.270 1.872 4.098 1.00 2.08 H new ATOM 0 HZ2 LYS A 20 -15.361 2.106 2.418 1.00 2.08 H new ATOM 0 HZ3 LYS A 20 -13.961 1.436 3.108 1.00 2.08 H new ATOM 328 N ALA A 21 -12.535 7.779 -1.038 1.00 0.55 N ATOM 329 CA ALA A 21 -12.998 9.172 -1.312 1.00 0.67 C ATOM 330 C ALA A 21 -14.085 9.126 -2.387 1.00 0.69 C ATOM 331 O ALA A 21 -14.950 9.980 -2.450 1.00 0.81 O ATOM 332 CB ALA A 21 -11.767 9.928 -1.818 1.00 0.67 C ATOM 0 H ALA A 21 -11.546 7.608 -1.219 1.00 0.55 H new ATOM 0 HA ALA A 21 -13.416 9.658 -0.431 1.00 0.67 H new ATOM 0 HB1 ALA A 21 -12.039 10.960 -2.038 1.00 0.67 H new ATOM 0 HB2 ALA A 21 -10.991 9.913 -1.053 1.00 0.67 H new ATOM 0 HB3 ALA A 21 -11.393 9.450 -2.724 1.00 0.67 H new ATOM 338 N LYS A 22 -14.055 8.110 -3.220 1.00 0.62 N ATOM 339 CA LYS A 22 -15.095 7.977 -4.278 1.00 0.71 C ATOM 340 C LYS A 22 -16.333 7.244 -3.725 1.00 0.74 C ATOM 341 O LYS A 22 -17.222 6.882 -4.469 1.00 0.81 O ATOM 342 CB LYS A 22 -14.426 7.171 -5.393 1.00 0.73 C ATOM 343 CG LYS A 22 -13.349 8.033 -6.058 1.00 1.07 C ATOM 344 CD LYS A 22 -12.669 7.240 -7.178 1.00 1.07 C ATOM 345 CE LYS A 22 -11.604 8.112 -7.851 1.00 1.91 C ATOM 346 NZ LYS A 22 -11.761 7.851 -9.311 1.00 2.11 N ATOM 0 H LYS A 22 -13.353 7.370 -3.208 1.00 0.62 H new ATOM 0 HA LYS A 22 -15.447 8.944 -4.638 1.00 0.71 H new ATOM 0 HB2 LYS A 22 -13.982 6.263 -4.986 1.00 0.73 H new ATOM 0 HB3 LYS A 22 -15.167 6.861 -6.130 1.00 0.73 H new ATOM 0 HG2 LYS A 22 -13.796 8.941 -6.462 1.00 1.07 H new ATOM 0 HG3 LYS A 22 -12.610 8.343 -5.319 1.00 1.07 H new ATOM 0 HD2 LYS A 22 -12.212 6.338 -6.772 1.00 1.07 H new ATOM 0 HD3 LYS A 22 -13.409 6.920 -7.912 1.00 1.07 H new ATOM 0 HE2 LYS A 22 -11.753 9.167 -7.620 1.00 1.91 H new ATOM 0 HE3 LYS A 22 -10.603 7.849 -7.508 1.00 1.91 H new ATOM 0 HZ1 LYS A 22 -11.065 8.413 -9.841 1.00 2.11 H new ATOM 0 HZ2 LYS A 22 -11.607 6.840 -9.502 1.00 2.11 H new ATOM 0 HZ3 LYS A 22 -12.721 8.117 -9.610 1.00 2.11 H new ATOM 360 N LYS A 23 -16.392 7.017 -2.422 1.00 0.72 N ATOM 361 CA LYS A 23 -17.566 6.311 -1.806 1.00 0.79 C ATOM 362 C LYS A 23 -17.779 4.941 -2.444 1.00 0.77 C ATOM 363 O LYS A 23 -18.857 4.381 -2.379 1.00 0.85 O ATOM 364 CB LYS A 23 -18.775 7.204 -2.064 1.00 0.91 C ATOM 365 CG LYS A 23 -18.605 8.525 -1.313 1.00 0.97 C ATOM 366 CD LYS A 23 -19.816 9.426 -1.568 1.00 1.26 C ATOM 367 CE LYS A 23 -19.631 10.744 -0.811 1.00 1.53 C ATOM 368 NZ LYS A 23 -20.901 11.494 -1.016 1.00 2.28 N ATOM 0 H LYS A 23 -15.668 7.295 -1.759 1.00 0.72 H new ATOM 0 HA LYS A 23 -17.405 6.142 -0.741 1.00 0.79 H new ATOM 0 HB2 LYS A 23 -18.880 7.392 -3.133 1.00 0.91 H new ATOM 0 HB3 LYS A 23 -19.686 6.703 -1.738 1.00 0.91 H new ATOM 0 HG2 LYS A 23 -18.500 8.336 -0.245 1.00 0.97 H new ATOM 0 HG3 LYS A 23 -17.693 9.025 -1.640 1.00 0.97 H new ATOM 0 HD2 LYS A 23 -19.923 9.618 -2.636 1.00 1.26 H new ATOM 0 HD3 LYS A 23 -20.729 8.929 -1.240 1.00 1.26 H new ATOM 0 HE2 LYS A 23 -19.445 10.567 0.248 1.00 1.53 H new ATOM 0 HE3 LYS A 23 -18.778 11.302 -1.195 1.00 1.53 H new ATOM 0 HZ1 LYS A 23 -20.847 12.409 -0.525 1.00 2.28 H new ATOM 0 HZ2 LYS A 23 -21.049 11.655 -2.033 1.00 2.28 H new ATOM 0 HZ3 LYS A 23 -21.695 10.942 -0.634 1.00 2.28 H new ATOM 382 N ALA A 24 -16.763 4.398 -3.055 1.00 0.68 N ATOM 383 CA ALA A 24 -16.903 3.057 -3.701 1.00 0.70 C ATOM 384 C ALA A 24 -17.314 2.009 -2.651 1.00 0.71 C ATOM 385 O ALA A 24 -17.204 2.255 -1.466 1.00 0.71 O ATOM 386 CB ALA A 24 -15.525 2.736 -4.283 1.00 0.62 C ATOM 0 H ALA A 24 -15.839 4.823 -3.136 1.00 0.68 H new ATOM 0 HA ALA A 24 -17.670 3.050 -4.475 1.00 0.70 H new ATOM 0 HB1 ALA A 24 -15.555 1.763 -4.773 1.00 0.62 H new ATOM 0 HB2 ALA A 24 -15.250 3.500 -5.010 1.00 0.62 H new ATOM 0 HB3 ALA A 24 -14.787 2.716 -3.481 1.00 0.62 H new ATOM 392 N PRO A 25 -17.794 0.877 -3.115 1.00 0.77 N ATOM 393 CA PRO A 25 -18.242 -0.190 -2.183 1.00 0.82 C ATOM 394 C PRO A 25 -17.062 -0.792 -1.420 1.00 0.71 C ATOM 395 O PRO A 25 -15.917 -0.649 -1.805 1.00 0.60 O ATOM 396 CB PRO A 25 -18.886 -1.225 -3.104 1.00 0.93 C ATOM 397 CG PRO A 25 -18.252 -0.998 -4.436 1.00 0.91 C ATOM 398 CD PRO A 25 -17.957 0.474 -4.521 1.00 0.84 C ATOM 0 HA PRO A 25 -18.924 0.180 -1.418 1.00 0.82 H new ATOM 0 HB2 PRO A 25 -18.705 -2.239 -2.747 1.00 0.93 H new ATOM 0 HB3 PRO A 25 -19.967 -1.093 -3.153 1.00 0.93 H new ATOM 0 HG2 PRO A 25 -17.338 -1.584 -4.536 1.00 0.91 H new ATOM 0 HG3 PRO A 25 -18.918 -1.308 -5.241 1.00 0.91 H new ATOM 0 HD2 PRO A 25 -17.055 0.669 -5.101 1.00 0.84 H new ATOM 0 HD3 PRO A 25 -18.769 1.018 -5.002 1.00 0.84 H new ATOM 406 N LYS A 26 -17.345 -1.470 -0.336 1.00 0.76 N ATOM 407 CA LYS A 26 -16.259 -2.103 0.478 1.00 0.68 C ATOM 408 C LYS A 26 -15.408 -3.028 -0.400 1.00 0.60 C ATOM 409 O LYS A 26 -14.242 -3.253 -0.136 1.00 0.52 O ATOM 410 CB LYS A 26 -16.989 -2.907 1.557 1.00 0.82 C ATOM 411 CG LYS A 26 -17.679 -1.947 2.530 1.00 0.93 C ATOM 412 CD LYS A 26 -18.362 -2.741 3.649 1.00 1.22 C ATOM 413 CE LYS A 26 -19.580 -3.486 3.094 1.00 1.61 C ATOM 414 NZ LYS A 26 -20.651 -2.456 3.001 1.00 2.00 N ATOM 0 H LYS A 26 -18.289 -1.614 0.024 1.00 0.76 H new ATOM 0 HA LYS A 26 -15.582 -1.365 0.908 1.00 0.68 H new ATOM 0 HB2 LYS A 26 -17.725 -3.568 1.098 1.00 0.82 H new ATOM 0 HB3 LYS A 26 -16.283 -3.540 2.094 1.00 0.82 H new ATOM 0 HG2 LYS A 26 -16.949 -1.258 2.954 1.00 0.93 H new ATOM 0 HG3 LYS A 26 -18.415 -1.344 1.999 1.00 0.93 H new ATOM 0 HD2 LYS A 26 -17.658 -3.451 4.084 1.00 1.22 H new ATOM 0 HD3 LYS A 26 -18.671 -2.067 4.448 1.00 1.22 H new ATOM 0 HE2 LYS A 26 -19.365 -3.922 2.118 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -19.875 -4.304 3.751 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -21.397 -2.667 3.694 1.00 2.00 H new ATOM 0 HZ2 LYS A 26 -20.249 -1.518 3.200 1.00 2.00 H new ATOM 0 HZ3 LYS A 26 -21.057 -2.463 2.043 1.00 2.00 H new ATOM 428 N GLU A 27 -15.991 -3.562 -1.444 1.00 0.66 N ATOM 429 CA GLU A 27 -15.234 -4.477 -2.354 1.00 0.65 C ATOM 430 C GLU A 27 -14.011 -3.760 -2.939 1.00 0.56 C ATOM 431 O GLU A 27 -12.948 -4.340 -3.062 1.00 0.55 O ATOM 432 CB GLU A 27 -16.228 -4.840 -3.460 1.00 0.78 C ATOM 433 CG GLU A 27 -17.317 -5.748 -2.879 1.00 1.25 C ATOM 434 CD GLU A 27 -18.461 -5.931 -3.888 1.00 1.61 C ATOM 435 OE1 GLU A 27 -18.365 -5.398 -4.985 1.00 2.22 O ATOM 436 OE2 GLU A 27 -19.419 -6.604 -3.544 1.00 2.08 O ATOM 0 H GLU A 27 -16.964 -3.403 -1.707 1.00 0.66 H new ATOM 0 HA GLU A 27 -14.859 -5.359 -1.835 1.00 0.65 H new ATOM 0 HB2 GLU A 27 -16.674 -3.937 -3.876 1.00 0.78 H new ATOM 0 HB3 GLU A 27 -15.713 -5.346 -4.277 1.00 0.78 H new ATOM 0 HG2 GLU A 27 -16.891 -6.718 -2.623 1.00 1.25 H new ATOM 0 HG3 GLU A 27 -17.704 -5.316 -1.956 1.00 1.25 H new ATOM 443 N ASP A 28 -14.151 -2.507 -3.298 1.00 0.53 N ATOM 444 CA ASP A 28 -12.990 -1.756 -3.872 1.00 0.49 C ATOM 445 C ASP A 28 -11.943 -1.462 -2.793 1.00 0.39 C ATOM 446 O ASP A 28 -10.758 -1.641 -3.004 1.00 0.36 O ATOM 447 CB ASP A 28 -13.585 -0.447 -4.402 1.00 0.52 C ATOM 448 CG ASP A 28 -14.243 -0.685 -5.768 1.00 0.68 C ATOM 449 OD1 ASP A 28 -13.877 -1.646 -6.429 1.00 1.05 O ATOM 450 OD2 ASP A 28 -15.099 0.104 -6.134 1.00 1.46 O ATOM 0 H ASP A 28 -15.016 -1.973 -3.219 1.00 0.53 H new ATOM 0 HA ASP A 28 -12.486 -2.328 -4.651 1.00 0.49 H new ATOM 0 HB2 ASP A 28 -14.321 -0.061 -3.697 1.00 0.52 H new ATOM 0 HB3 ASP A 28 -12.803 0.307 -4.492 1.00 0.52 H new ATOM 455 N VAL A 29 -12.372 -1.010 -1.642 1.00 0.37 N ATOM 456 CA VAL A 29 -11.402 -0.699 -0.545 1.00 0.32 C ATOM 457 C VAL A 29 -10.770 -1.992 -0.016 1.00 0.29 C ATOM 458 O VAL A 29 -9.565 -2.099 0.114 1.00 0.27 O ATOM 459 CB VAL A 29 -12.241 -0.014 0.544 1.00 0.38 C ATOM 460 CG1 VAL A 29 -11.387 0.242 1.790 1.00 0.57 C ATOM 461 CG2 VAL A 29 -12.766 1.320 0.011 1.00 0.65 C ATOM 0 H VAL A 29 -13.352 -0.842 -1.413 1.00 0.37 H new ATOM 0 HA VAL A 29 -10.582 -0.065 -0.882 1.00 0.32 H new ATOM 0 HB VAL A 29 -13.074 -0.664 0.812 1.00 0.38 H new ATOM 0 HG11 VAL A 29 -11.994 0.728 2.554 1.00 0.57 H new ATOM 0 HG12 VAL A 29 -11.011 -0.706 2.174 1.00 0.57 H new ATOM 0 HG13 VAL A 29 -10.547 0.887 1.530 1.00 0.57 H new ATOM 0 HG21 VAL A 29 -13.362 1.810 0.781 1.00 0.65 H new ATOM 0 HG22 VAL A 29 -11.926 1.960 -0.259 1.00 0.65 H new ATOM 0 HG23 VAL A 29 -13.384 1.142 -0.869 1.00 0.65 H new ATOM 471 N ASP A 30 -11.585 -2.965 0.300 1.00 0.34 N ATOM 472 CA ASP A 30 -11.050 -4.253 0.837 1.00 0.37 C ATOM 473 C ASP A 30 -10.104 -4.912 -0.169 1.00 0.34 C ATOM 474 O ASP A 30 -9.031 -5.361 0.182 1.00 0.34 O ATOM 475 CB ASP A 30 -12.282 -5.130 1.069 1.00 0.45 C ATOM 476 CG ASP A 30 -13.081 -4.579 2.252 1.00 0.51 C ATOM 477 OD1 ASP A 30 -12.461 -4.161 3.217 1.00 1.02 O ATOM 478 OD2 ASP A 30 -14.298 -4.590 2.177 1.00 1.33 O ATOM 0 H ASP A 30 -12.600 -2.923 0.209 1.00 0.34 H new ATOM 0 HA ASP A 30 -10.475 -4.103 1.750 1.00 0.37 H new ATOM 0 HB2 ASP A 30 -12.903 -5.149 0.173 1.00 0.45 H new ATOM 0 HB3 ASP A 30 -11.978 -6.158 1.268 1.00 0.45 H new ATOM 483 N ALA A 31 -10.490 -4.975 -1.415 1.00 0.36 N ATOM 484 CA ALA A 31 -9.604 -5.609 -2.438 1.00 0.38 C ATOM 485 C ALA A 31 -8.277 -4.856 -2.534 1.00 0.33 C ATOM 486 O ALA A 31 -7.215 -5.449 -2.521 1.00 0.36 O ATOM 487 CB ALA A 31 -10.375 -5.520 -3.756 1.00 0.46 C ATOM 0 H ALA A 31 -11.377 -4.617 -1.769 1.00 0.36 H new ATOM 0 HA ALA A 31 -9.362 -6.641 -2.184 1.00 0.38 H new ATOM 0 HB1 ALA A 31 -9.783 -5.968 -4.555 1.00 0.46 H new ATOM 0 HB2 ALA A 31 -11.320 -6.055 -3.661 1.00 0.46 H new ATOM 0 HB3 ALA A 31 -10.572 -4.474 -3.993 1.00 0.46 H new ATOM 493 N ALA A 32 -8.337 -3.555 -2.638 1.00 0.32 N ATOM 494 CA ALA A 32 -7.080 -2.753 -2.745 1.00 0.34 C ATOM 495 C ALA A 32 -6.273 -2.846 -1.448 1.00 0.31 C ATOM 496 O ALA A 32 -5.068 -2.996 -1.479 1.00 0.36 O ATOM 497 CB ALA A 32 -7.535 -1.314 -2.997 1.00 0.39 C ATOM 0 H ALA A 32 -9.200 -3.012 -2.654 1.00 0.32 H new ATOM 0 HA ALA A 32 -6.433 -3.116 -3.544 1.00 0.34 H new ATOM 0 HB1 ALA A 32 -6.662 -0.667 -3.086 1.00 0.39 H new ATOM 0 HB2 ALA A 32 -8.114 -1.272 -3.919 1.00 0.39 H new ATOM 0 HB3 ALA A 32 -8.153 -0.977 -2.165 1.00 0.39 H new ATOM 503 N VAL A 33 -6.923 -2.770 -0.308 1.00 0.26 N ATOM 504 CA VAL A 33 -6.170 -2.872 0.978 1.00 0.29 C ATOM 505 C VAL A 33 -5.585 -4.288 1.085 1.00 0.31 C ATOM 506 O VAL A 33 -4.449 -4.463 1.484 1.00 0.35 O ATOM 507 CB VAL A 33 -7.183 -2.503 2.094 1.00 0.31 C ATOM 508 CG1 VAL A 33 -7.918 -3.722 2.676 1.00 0.55 C ATOM 509 CG2 VAL A 33 -6.435 -1.793 3.225 1.00 0.57 C ATOM 0 H VAL A 33 -7.931 -2.643 -0.216 1.00 0.26 H new ATOM 0 HA VAL A 33 -5.318 -2.196 1.057 1.00 0.29 H new ATOM 0 HB VAL A 33 -7.937 -1.859 1.642 1.00 0.31 H new ATOM 0 HG11 VAL A 33 -8.611 -3.393 3.451 1.00 0.55 H new ATOM 0 HG12 VAL A 33 -8.472 -4.225 1.884 1.00 0.55 H new ATOM 0 HG13 VAL A 33 -7.193 -4.413 3.107 1.00 0.55 H new ATOM 0 HG21 VAL A 33 -7.137 -1.529 4.016 1.00 0.57 H new ATOM 0 HG22 VAL A 33 -5.669 -2.456 3.627 1.00 0.57 H new ATOM 0 HG23 VAL A 33 -5.966 -0.888 2.839 1.00 0.57 H new ATOM 519 N LYS A 34 -6.331 -5.298 0.677 1.00 0.30 N ATOM 520 CA LYS A 34 -5.771 -6.687 0.700 1.00 0.34 C ATOM 521 C LYS A 34 -4.554 -6.720 -0.220 1.00 0.35 C ATOM 522 O LYS A 34 -3.522 -7.273 0.105 1.00 0.38 O ATOM 523 CB LYS A 34 -6.870 -7.597 0.158 1.00 0.35 C ATOM 524 CG LYS A 34 -7.961 -7.784 1.211 1.00 1.04 C ATOM 525 CD LYS A 34 -9.170 -8.450 0.557 1.00 1.51 C ATOM 526 CE LYS A 34 -8.811 -9.892 0.190 1.00 2.23 C ATOM 527 NZ LYS A 34 -10.026 -10.436 -0.474 1.00 2.82 N ATOM 0 H LYS A 34 -7.289 -5.218 0.335 1.00 0.30 H new ATOM 0 HA LYS A 34 -5.467 -7.004 1.698 1.00 0.34 H new ATOM 0 HB2 LYS A 34 -7.297 -7.166 -0.747 1.00 0.35 H new ATOM 0 HB3 LYS A 34 -6.450 -8.564 -0.118 1.00 0.35 H new ATOM 0 HG2 LYS A 34 -7.591 -8.398 2.032 1.00 1.04 H new ATOM 0 HG3 LYS A 34 -8.245 -6.821 1.635 1.00 1.04 H new ATOM 0 HD2 LYS A 34 -10.021 -8.436 1.238 1.00 1.51 H new ATOM 0 HD3 LYS A 34 -9.467 -7.898 -0.335 1.00 1.51 H new ATOM 0 HE2 LYS A 34 -7.949 -9.926 -0.476 1.00 2.23 H new ATOM 0 HE3 LYS A 34 -8.553 -10.472 1.076 1.00 2.23 H new ATOM 0 HZ1 LYS A 34 -9.856 -11.423 -0.755 1.00 2.82 H new ATOM 0 HZ2 LYS A 34 -10.829 -10.397 0.186 1.00 2.82 H new ATOM 0 HZ3 LYS A 34 -10.244 -9.869 -1.318 1.00 2.82 H new ATOM 541 N GLN A 35 -4.675 -6.086 -1.365 1.00 0.36 N ATOM 542 CA GLN A 35 -3.529 -6.025 -2.316 1.00 0.40 C ATOM 543 C GLN A 35 -2.417 -5.217 -1.656 1.00 0.41 C ATOM 544 O GLN A 35 -1.259 -5.567 -1.697 1.00 0.40 O ATOM 545 CB GLN A 35 -4.054 -5.285 -3.552 1.00 0.47 C ATOM 546 CG GLN A 35 -3.087 -5.516 -4.716 1.00 0.56 C ATOM 547 CD GLN A 35 -3.659 -4.915 -6.000 1.00 1.04 C ATOM 548 OE1 GLN A 35 -4.855 -4.738 -6.125 1.00 1.73 O ATOM 549 NE2 GLN A 35 -2.845 -4.591 -6.967 1.00 1.71 N ATOM 0 H GLN A 35 -5.521 -5.609 -1.677 1.00 0.36 H new ATOM 0 HA GLN A 35 -3.142 -7.008 -2.584 1.00 0.40 H new ATOM 0 HB2 GLN A 35 -5.050 -5.645 -3.812 1.00 0.47 H new ATOM 0 HB3 GLN A 35 -4.145 -4.219 -3.343 1.00 0.47 H new ATOM 0 HG2 GLN A 35 -2.121 -5.063 -4.492 1.00 0.56 H new ATOM 0 HG3 GLN A 35 -2.915 -6.584 -4.850 1.00 0.56 H new ATOM 0 HE21 GLN A 35 -1.842 -4.740 -6.861 1.00 1.71 H new ATOM 0 HE22 GLN A 35 -3.212 -4.189 -7.829 1.00 1.71 H new ATOM 558 N LEU A 36 -2.797 -4.142 -1.024 1.00 0.47 N ATOM 559 CA LEU A 36 -1.815 -3.271 -0.310 1.00 0.55 C ATOM 560 C LEU A 36 -1.100 -4.073 0.781 1.00 0.52 C ATOM 561 O LEU A 36 0.111 -4.031 0.896 1.00 0.53 O ATOM 562 CB LEU A 36 -2.676 -2.135 0.271 1.00 0.72 C ATOM 563 CG LEU A 36 -1.898 -1.274 1.276 1.00 0.59 C ATOM 564 CD1 LEU A 36 -0.568 -0.802 0.676 1.00 1.53 C ATOM 565 CD2 LEU A 36 -2.740 -0.051 1.644 1.00 1.26 C ATOM 0 H LEU A 36 -3.764 -3.823 -0.970 1.00 0.47 H new ATOM 0 HA LEU A 36 -1.026 -2.883 -0.954 1.00 0.55 H new ATOM 0 HB2 LEU A 36 -3.039 -1.505 -0.541 1.00 0.72 H new ATOM 0 HB3 LEU A 36 -3.552 -2.560 0.761 1.00 0.72 H new ATOM 0 HG LEU A 36 -1.689 -1.875 2.161 1.00 0.59 H new ATOM 0 HD11 LEU A 36 -0.035 -0.194 1.407 1.00 1.53 H new ATOM 0 HD12 LEU A 36 0.039 -1.668 0.412 1.00 1.53 H new ATOM 0 HD13 LEU A 36 -0.762 -0.209 -0.217 1.00 1.53 H new ATOM 0 HD21 LEU A 36 -2.194 0.565 2.358 1.00 1.26 H new ATOM 0 HD22 LEU A 36 -2.948 0.531 0.746 1.00 1.26 H new ATOM 0 HD23 LEU A 36 -3.679 -0.377 2.091 1.00 1.26 H new ATOM 577 N LEU A 37 -1.833 -4.819 1.571 1.00 0.51 N ATOM 578 CA LEU A 37 -1.183 -5.638 2.639 1.00 0.53 C ATOM 579 C LEU A 37 -0.194 -6.616 2.004 1.00 0.47 C ATOM 580 O LEU A 37 0.881 -6.851 2.522 1.00 0.48 O ATOM 581 CB LEU A 37 -2.311 -6.377 3.348 1.00 0.59 C ATOM 582 CG LEU A 37 -3.117 -5.389 4.196 1.00 0.75 C ATOM 583 CD1 LEU A 37 -4.375 -6.076 4.731 1.00 1.36 C ATOM 584 CD2 LEU A 37 -2.261 -4.913 5.372 1.00 1.24 C ATOM 0 H LEU A 37 -2.849 -4.896 1.522 1.00 0.51 H new ATOM 0 HA LEU A 37 -0.622 -5.026 3.345 1.00 0.53 H new ATOM 0 HB2 LEU A 37 -2.960 -6.859 2.617 1.00 0.59 H new ATOM 0 HB3 LEU A 37 -1.902 -7.166 3.980 1.00 0.59 H new ATOM 0 HG LEU A 37 -3.404 -4.536 3.581 1.00 0.75 H new ATOM 0 HD11 LEU A 37 -4.946 -5.370 5.334 1.00 1.36 H new ATOM 0 HD12 LEU A 37 -4.986 -6.418 3.896 1.00 1.36 H new ATOM 0 HD13 LEU A 37 -4.090 -6.930 5.345 1.00 1.36 H new ATOM 0 HD21 LEU A 37 -2.833 -4.209 5.977 1.00 1.24 H new ATOM 0 HD22 LEU A 37 -1.975 -5.769 5.984 1.00 1.24 H new ATOM 0 HD23 LEU A 37 -1.365 -4.421 4.994 1.00 1.24 H new ATOM 596 N SER A 38 -0.546 -7.168 0.870 1.00 0.41 N ATOM 597 CA SER A 38 0.376 -8.118 0.174 1.00 0.39 C ATOM 598 C SER A 38 1.694 -7.408 -0.156 1.00 0.37 C ATOM 599 O SER A 38 2.752 -8.006 -0.123 1.00 0.37 O ATOM 600 CB SER A 38 -0.347 -8.528 -1.112 1.00 0.42 C ATOM 601 OG SER A 38 0.449 -9.472 -1.818 1.00 1.31 O ATOM 0 H SER A 38 -1.433 -7.002 0.395 1.00 0.41 H new ATOM 0 HA SER A 38 0.615 -8.985 0.790 1.00 0.39 H new ATOM 0 HB2 SER A 38 -1.319 -8.960 -0.874 1.00 0.42 H new ATOM 0 HB3 SER A 38 -0.531 -7.652 -1.734 1.00 0.42 H new ATOM 0 HG SER A 38 -0.012 -9.738 -2.641 1.00 1.31 H new ATOM 607 N LEU A 39 1.636 -6.133 -0.469 1.00 0.39 N ATOM 608 CA LEU A 39 2.893 -5.384 -0.795 1.00 0.43 C ATOM 609 C LEU A 39 3.842 -5.427 0.410 1.00 0.44 C ATOM 610 O LEU A 39 5.002 -5.763 0.282 1.00 0.42 O ATOM 611 CB LEU A 39 2.453 -3.943 -1.092 1.00 0.54 C ATOM 612 CG LEU A 39 1.489 -3.924 -2.289 1.00 0.57 C ATOM 613 CD1 LEU A 39 1.014 -2.492 -2.555 1.00 0.72 C ATOM 614 CD2 LEU A 39 2.197 -4.468 -3.536 1.00 0.61 C ATOM 0 H LEU A 39 0.778 -5.582 -0.513 1.00 0.39 H new ATOM 0 HA LEU A 39 3.424 -5.815 -1.644 1.00 0.43 H new ATOM 0 HB2 LEU A 39 1.966 -3.515 -0.216 1.00 0.54 H new ATOM 0 HB3 LEU A 39 3.325 -3.325 -1.307 1.00 0.54 H new ATOM 0 HG LEU A 39 0.628 -4.552 -2.059 1.00 0.57 H new ATOM 0 HD11 LEU A 39 0.331 -2.487 -3.405 1.00 0.72 H new ATOM 0 HD12 LEU A 39 0.499 -2.110 -1.674 1.00 0.72 H new ATOM 0 HD13 LEU A 39 1.873 -1.859 -2.776 1.00 0.72 H new ATOM 0 HD21 LEU A 39 1.509 -4.452 -4.381 1.00 0.61 H new ATOM 0 HD22 LEU A 39 3.064 -3.847 -3.762 1.00 0.61 H new ATOM 0 HD23 LEU A 39 2.522 -5.492 -3.352 1.00 0.61 H new ATOM 626 N LYS A 40 3.343 -5.119 1.583 1.00 0.55 N ATOM 627 CA LYS A 40 4.200 -5.175 2.812 1.00 0.65 C ATOM 628 C LYS A 40 4.701 -6.606 3.008 1.00 0.60 C ATOM 629 O LYS A 40 5.830 -6.842 3.392 1.00 0.64 O ATOM 630 CB LYS A 40 3.282 -4.787 3.970 1.00 0.85 C ATOM 631 CG LYS A 40 2.880 -3.318 3.857 1.00 1.33 C ATOM 632 CD LYS A 40 1.962 -2.967 5.028 1.00 1.42 C ATOM 633 CE LYS A 40 1.431 -1.543 4.861 1.00 2.23 C ATOM 634 NZ LYS A 40 0.509 -1.347 6.013 1.00 2.38 N ATOM 0 H LYS A 40 2.378 -4.831 1.744 1.00 0.55 H new ATOM 0 HA LYS A 40 5.065 -4.515 2.744 1.00 0.65 H new ATOM 0 HB2 LYS A 40 2.392 -5.416 3.964 1.00 0.85 H new ATOM 0 HB3 LYS A 40 3.789 -4.961 4.919 1.00 0.85 H new ATOM 0 HG2 LYS A 40 3.765 -2.682 3.868 1.00 1.33 H new ATOM 0 HG3 LYS A 40 2.370 -3.138 2.911 1.00 1.33 H new ATOM 0 HD2 LYS A 40 1.132 -3.671 5.075 1.00 1.42 H new ATOM 0 HD3 LYS A 40 2.507 -3.054 5.968 1.00 1.42 H new ATOM 0 HE2 LYS A 40 2.241 -0.814 4.874 1.00 2.23 H new ATOM 0 HE3 LYS A 40 0.909 -1.423 3.911 1.00 2.23 H new ATOM 0 HZ1 LYS A 40 0.101 -0.391 5.972 1.00 2.38 H new ATOM 0 HZ2 LYS A 40 -0.255 -2.052 5.970 1.00 2.38 H new ATOM 0 HZ3 LYS A 40 1.036 -1.461 6.902 1.00 2.38 H new ATOM 648 N ALA A 41 3.840 -7.558 2.758 1.00 0.59 N ATOM 649 CA ALA A 41 4.215 -8.991 2.936 1.00 0.64 C ATOM 650 C ALA A 41 5.394 -9.353 2.035 1.00 0.59 C ATOM 651 O ALA A 41 6.318 -10.018 2.462 1.00 0.67 O ATOM 652 CB ALA A 41 2.972 -9.780 2.518 1.00 0.69 C ATOM 0 H ALA A 41 2.885 -7.402 2.435 1.00 0.59 H new ATOM 0 HA ALA A 41 4.519 -9.208 3.960 1.00 0.64 H new ATOM 0 HB1 ALA A 41 3.167 -10.847 2.621 1.00 0.69 H new ATOM 0 HB2 ALA A 41 2.133 -9.502 3.156 1.00 0.69 H new ATOM 0 HB3 ALA A 41 2.729 -9.554 1.480 1.00 0.69 H new ATOM 658 N GLU A 42 5.378 -8.925 0.794 1.00 0.52 N ATOM 659 CA GLU A 42 6.515 -9.259 -0.121 1.00 0.59 C ATOM 660 C GLU A 42 7.821 -8.693 0.451 1.00 0.61 C ATOM 661 O GLU A 42 8.804 -9.395 0.596 1.00 0.73 O ATOM 662 CB GLU A 42 6.171 -8.577 -1.447 1.00 0.61 C ATOM 663 CG GLU A 42 4.951 -9.258 -2.074 1.00 0.68 C ATOM 664 CD GLU A 42 5.330 -10.661 -2.554 1.00 1.22 C ATOM 665 OE1 GLU A 42 6.425 -10.815 -3.069 1.00 1.90 O ATOM 666 OE2 GLU A 42 4.516 -11.557 -2.402 1.00 1.79 O ATOM 0 H GLU A 42 4.634 -8.364 0.379 1.00 0.52 H new ATOM 0 HA GLU A 42 6.653 -10.333 -0.243 1.00 0.59 H new ATOM 0 HB2 GLU A 42 5.964 -7.520 -1.281 1.00 0.61 H new ATOM 0 HB3 GLU A 42 7.021 -8.633 -2.127 1.00 0.61 H new ATOM 0 HG2 GLU A 42 4.143 -9.319 -1.345 1.00 0.68 H new ATOM 0 HG3 GLU A 42 4.582 -8.665 -2.911 1.00 0.68 H new ATOM 673 N TYR A 43 7.819 -7.432 0.800 1.00 0.56 N ATOM 674 CA TYR A 43 9.040 -6.806 1.396 1.00 0.66 C ATOM 675 C TYR A 43 9.351 -7.462 2.746 1.00 0.73 C ATOM 676 O TYR A 43 10.492 -7.667 3.111 1.00 0.86 O ATOM 677 CB TYR A 43 8.693 -5.319 1.578 1.00 0.69 C ATOM 678 CG TYR A 43 9.804 -4.450 1.018 1.00 0.83 C ATOM 679 CD1 TYR A 43 11.146 -4.735 1.312 1.00 1.68 C ATOM 680 CD2 TYR A 43 9.486 -3.356 0.205 1.00 1.42 C ATOM 681 CE1 TYR A 43 12.165 -3.928 0.791 1.00 1.98 C ATOM 682 CE2 TYR A 43 10.506 -2.549 -0.315 1.00 1.65 C ATOM 683 CZ TYR A 43 11.845 -2.835 -0.022 1.00 1.59 C ATOM 684 OH TYR A 43 12.849 -2.041 -0.538 1.00 2.03 O ATOM 0 H TYR A 43 7.021 -6.805 0.698 1.00 0.56 H new ATOM 0 HA TYR A 43 9.920 -6.933 0.766 1.00 0.66 H new ATOM 0 HB2 TYR A 43 7.754 -5.092 1.073 1.00 0.69 H new ATOM 0 HB3 TYR A 43 8.547 -5.099 2.635 1.00 0.69 H new ATOM 0 HD1 TYR A 43 11.393 -5.578 1.941 1.00 1.68 H new ATOM 0 HD2 TYR A 43 8.454 -3.134 -0.022 1.00 1.42 H new ATOM 0 HE1 TYR A 43 13.198 -4.149 1.017 1.00 1.98 H new ATOM 0 HE2 TYR A 43 10.259 -1.705 -0.943 1.00 1.65 H new ATOM 0 HH TYR A 43 13.612 -2.602 -0.792 1.00 2.03 H new ATOM 694 N LYS A 44 8.323 -7.767 3.490 1.00 0.73 N ATOM 695 CA LYS A 44 8.497 -8.390 4.842 1.00 0.89 C ATOM 696 C LYS A 44 9.233 -9.735 4.760 1.00 0.98 C ATOM 697 O LYS A 44 10.029 -10.061 5.620 1.00 1.13 O ATOM 698 CB LYS A 44 7.067 -8.599 5.359 1.00 0.95 C ATOM 699 CG LYS A 44 7.094 -9.238 6.752 1.00 1.37 C ATOM 700 CD LYS A 44 5.660 -9.437 7.246 1.00 1.45 C ATOM 701 CE LYS A 44 5.678 -10.035 8.653 1.00 2.00 C ATOM 702 NZ LYS A 44 5.541 -8.865 9.564 1.00 2.12 N ATOM 0 H LYS A 44 7.353 -7.610 3.217 1.00 0.73 H new ATOM 0 HA LYS A 44 9.098 -7.759 5.496 1.00 0.89 H new ATOM 0 HB2 LYS A 44 6.544 -7.643 5.400 1.00 0.95 H new ATOM 0 HB3 LYS A 44 6.513 -9.236 4.670 1.00 0.95 H new ATOM 0 HG2 LYS A 44 7.614 -10.195 6.715 1.00 1.37 H new ATOM 0 HG3 LYS A 44 7.645 -8.602 7.445 1.00 1.37 H new ATOM 0 HD2 LYS A 44 5.132 -8.484 7.252 1.00 1.45 H new ATOM 0 HD3 LYS A 44 5.119 -10.096 6.567 1.00 1.45 H new ATOM 0 HE2 LYS A 44 4.861 -10.743 8.793 1.00 2.00 H new ATOM 0 HE3 LYS A 44 6.605 -10.577 8.841 1.00 2.00 H new ATOM 0 HZ1 LYS A 44 5.545 -9.192 10.551 1.00 2.12 H new ATOM 0 HZ2 LYS A 44 6.336 -8.212 9.412 1.00 2.12 H new ATOM 0 HZ3 LYS A 44 4.646 -8.373 9.365 1.00 2.12 H new ATOM 716 N GLU A 45 8.949 -10.527 3.760 1.00 0.96 N ATOM 717 CA GLU A 45 9.604 -11.870 3.650 1.00 1.12 C ATOM 718 C GLU A 45 11.137 -11.767 3.679 1.00 1.23 C ATOM 719 O GLU A 45 11.797 -12.606 4.266 1.00 1.40 O ATOM 720 CB GLU A 45 9.135 -12.443 2.312 1.00 1.12 C ATOM 721 CG GLU A 45 7.671 -12.880 2.421 1.00 1.13 C ATOM 722 CD GLU A 45 7.566 -14.099 3.339 1.00 1.70 C ATOM 723 OE1 GLU A 45 8.238 -15.081 3.067 1.00 2.41 O ATOM 724 OE2 GLU A 45 6.819 -14.030 4.301 1.00 2.07 O ATOM 0 H GLU A 45 8.292 -10.304 3.013 1.00 0.96 H new ATOM 0 HA GLU A 45 9.331 -12.504 4.493 1.00 1.12 H new ATOM 0 HB2 GLU A 45 9.243 -11.695 1.527 1.00 1.12 H new ATOM 0 HB3 GLU A 45 9.758 -13.292 2.031 1.00 1.12 H new ATOM 0 HG2 GLU A 45 7.066 -12.063 2.814 1.00 1.13 H new ATOM 0 HG3 GLU A 45 7.279 -13.121 1.433 1.00 1.13 H new ATOM 731 N LYS A 46 11.715 -10.773 3.047 1.00 1.19 N ATOM 732 CA LYS A 46 13.211 -10.666 3.045 1.00 1.38 C ATOM 733 C LYS A 46 13.758 -10.473 4.464 1.00 1.48 C ATOM 734 O LYS A 46 14.538 -11.276 4.944 1.00 1.64 O ATOM 735 CB LYS A 46 13.529 -9.438 2.193 1.00 1.36 C ATOM 736 CG LYS A 46 13.221 -9.733 0.726 1.00 1.34 C ATOM 737 CD LYS A 46 13.322 -8.440 -0.084 1.00 1.84 C ATOM 738 CE LYS A 46 14.790 -8.028 -0.211 1.00 1.81 C ATOM 739 NZ LYS A 46 14.767 -6.780 -1.023 1.00 2.31 N ATOM 0 H LYS A 46 11.223 -10.039 2.538 1.00 1.19 H new ATOM 0 HA LYS A 46 13.669 -11.575 2.654 1.00 1.38 H new ATOM 0 HB2 LYS A 46 12.941 -8.586 2.533 1.00 1.36 H new ATOM 0 HB3 LYS A 46 14.579 -9.167 2.307 1.00 1.36 H new ATOM 0 HG2 LYS A 46 13.920 -10.474 0.338 1.00 1.34 H new ATOM 0 HG3 LYS A 46 12.222 -10.158 0.631 1.00 1.34 H new ATOM 0 HD2 LYS A 46 12.887 -8.584 -1.073 1.00 1.84 H new ATOM 0 HD3 LYS A 46 12.752 -7.648 0.403 1.00 1.84 H new ATOM 0 HE2 LYS A 46 15.238 -7.855 0.767 1.00 1.81 H new ATOM 0 HE3 LYS A 46 15.378 -8.806 -0.698 1.00 1.81 H new ATOM 0 HZ1 LYS A 46 15.739 -6.434 -1.155 1.00 2.31 H new ATOM 0 HZ2 LYS A 46 14.341 -6.977 -1.951 1.00 2.31 H new ATOM 0 HZ3 LYS A 46 14.205 -6.056 -0.531 1.00 2.31 H new ATOM 753 N THR A 47 13.368 -9.418 5.136 1.00 1.46 N ATOM 754 CA THR A 47 13.880 -9.180 6.523 1.00 1.61 C ATOM 755 C THR A 47 12.913 -8.294 7.318 1.00 1.64 C ATOM 756 O THR A 47 13.308 -7.630 8.259 1.00 1.83 O ATOM 757 CB THR A 47 15.219 -8.460 6.330 1.00 1.71 C ATOM 758 OG1 THR A 47 15.949 -9.078 5.279 1.00 2.51 O ATOM 759 CG2 THR A 47 16.037 -8.521 7.622 1.00 1.98 C ATOM 0 H THR A 47 12.719 -8.713 4.786 1.00 1.46 H new ATOM 0 HA THR A 47 13.983 -10.110 7.082 1.00 1.61 H new ATOM 0 HB THR A 47 15.026 -7.418 6.076 1.00 1.71 H new ATOM 0 HG1 THR A 47 16.804 -8.614 5.158 1.00 2.51 H new ATOM 0 HG21 THR A 47 16.987 -8.007 7.476 1.00 1.98 H new ATOM 0 HG22 THR A 47 15.483 -8.038 8.427 1.00 1.98 H new ATOM 0 HG23 THR A 47 16.225 -9.562 7.885 1.00 1.98 H new ATOM 767 N GLY A 48 11.658 -8.261 6.941 1.00 1.53 N ATOM 768 CA GLY A 48 10.679 -7.396 7.668 1.00 1.65 C ATOM 769 C GLY A 48 11.000 -5.926 7.395 1.00 1.57 C ATOM 770 O GLY A 48 11.347 -5.184 8.295 1.00 1.86 O ATOM 0 H GLY A 48 11.271 -8.795 6.163 1.00 1.53 H new ATOM 0 HA2 GLY A 48 9.664 -7.624 7.343 1.00 1.65 H new ATOM 0 HA3 GLY A 48 10.724 -7.597 8.738 1.00 1.65 H new ATOM 774 N GLN A 49 10.904 -5.504 6.159 1.00 1.30 N ATOM 775 CA GLN A 49 11.224 -4.085 5.824 1.00 1.38 C ATOM 776 C GLN A 49 10.030 -3.159 6.070 1.00 1.33 C ATOM 777 O GLN A 49 10.202 -2.072 6.581 1.00 1.59 O ATOM 778 CB GLN A 49 11.585 -4.099 4.339 1.00 1.34 C ATOM 779 CG GLN A 49 12.937 -4.790 4.140 1.00 1.56 C ATOM 780 CD GLN A 49 14.037 -3.970 4.821 1.00 2.10 C ATOM 781 OE1 GLN A 49 14.123 -2.773 4.633 1.00 2.70 O ATOM 782 NE2 GLN A 49 14.893 -4.568 5.602 1.00 2.50 N ATOM 0 H GLN A 49 10.618 -6.082 5.369 1.00 1.30 H new ATOM 0 HA GLN A 49 12.032 -3.707 6.450 1.00 1.38 H new ATOM 0 HB2 GLN A 49 10.813 -4.620 3.773 1.00 1.34 H new ATOM 0 HB3 GLN A 49 11.628 -3.079 3.956 1.00 1.34 H new ATOM 0 HG2 GLN A 49 12.908 -5.796 4.558 1.00 1.56 H new ATOM 0 HG3 GLN A 49 13.151 -4.893 3.076 1.00 1.56 H new ATOM 0 HE21 GLN A 49 14.823 -5.573 5.761 1.00 2.50 H new ATOM 0 HE22 GLN A 49 15.633 -4.031 6.054 1.00 2.50 H new ATOM 791 N GLU A 50 8.829 -3.585 5.711 1.00 1.22 N ATOM 792 CA GLU A 50 7.583 -2.742 5.900 1.00 1.34 C ATOM 793 C GLU A 50 7.870 -1.234 5.730 1.00 1.37 C ATOM 794 O GLU A 50 8.255 -0.551 6.658 1.00 1.68 O ATOM 795 CB GLU A 50 7.068 -3.068 7.311 1.00 1.52 C ATOM 796 CG GLU A 50 8.169 -2.901 8.370 1.00 1.63 C ATOM 797 CD GLU A 50 7.553 -3.024 9.765 1.00 1.95 C ATOM 798 OE1 GLU A 50 7.271 -4.139 10.172 1.00 2.32 O ATOM 799 OE2 GLU A 50 7.371 -2.000 10.403 1.00 2.37 O ATOM 0 H GLU A 50 8.656 -4.497 5.288 1.00 1.22 H new ATOM 0 HA GLU A 50 6.836 -2.973 5.141 1.00 1.34 H new ATOM 0 HB2 GLU A 50 6.229 -2.415 7.552 1.00 1.52 H new ATOM 0 HB3 GLU A 50 6.693 -4.091 7.334 1.00 1.52 H new ATOM 0 HG2 GLU A 50 8.940 -3.659 8.232 1.00 1.63 H new ATOM 0 HG3 GLU A 50 8.653 -1.931 8.258 1.00 1.63 H new ATOM 806 N TYR A 51 7.710 -0.723 4.534 1.00 1.36 N ATOM 807 CA TYR A 51 8.006 0.725 4.278 1.00 1.46 C ATOM 808 C TYR A 51 7.294 1.629 5.300 1.00 1.37 C ATOM 809 O TYR A 51 6.293 1.257 5.883 1.00 1.51 O ATOM 810 CB TYR A 51 7.524 0.986 2.841 1.00 1.76 C ATOM 811 CG TYR A 51 6.023 0.826 2.736 1.00 1.54 C ATOM 812 CD1 TYR A 51 5.463 -0.432 2.473 1.00 2.01 C ATOM 813 CD2 TYR A 51 5.193 1.940 2.895 1.00 1.93 C ATOM 814 CE1 TYR A 51 4.074 -0.572 2.371 1.00 2.28 C ATOM 815 CE2 TYR A 51 3.805 1.800 2.793 1.00 2.22 C ATOM 816 CZ TYR A 51 3.245 0.545 2.531 1.00 2.18 C ATOM 817 OH TYR A 51 1.876 0.409 2.428 1.00 2.77 O ATOM 0 H TYR A 51 7.386 -1.246 3.720 1.00 1.36 H new ATOM 0 HA TYR A 51 9.067 0.952 4.387 1.00 1.46 H new ATOM 0 HB2 TYR A 51 7.808 1.993 2.535 1.00 1.76 H new ATOM 0 HB3 TYR A 51 8.016 0.294 2.157 1.00 1.76 H new ATOM 0 HD1 TYR A 51 6.103 -1.293 2.349 1.00 2.01 H new ATOM 0 HD2 TYR A 51 5.624 2.909 3.097 1.00 1.93 H new ATOM 0 HE1 TYR A 51 3.642 -1.541 2.169 1.00 2.28 H new ATOM 0 HE2 TYR A 51 3.165 2.661 2.917 1.00 2.22 H new ATOM 0 HH TYR A 51 1.449 1.280 2.566 1.00 2.77 H new ATOM 827 N LYS A 52 7.835 2.800 5.541 1.00 1.79 N ATOM 828 CA LYS A 52 7.229 3.724 6.552 1.00 1.97 C ATOM 829 C LYS A 52 5.789 4.082 6.157 1.00 1.79 C ATOM 830 O LYS A 52 5.438 4.021 4.998 1.00 1.93 O ATOM 831 CB LYS A 52 8.124 4.968 6.545 1.00 2.70 C ATOM 832 CG LYS A 52 9.505 4.596 7.093 1.00 3.42 C ATOM 833 CD LYS A 52 10.434 5.810 7.023 1.00 3.91 C ATOM 834 CE LYS A 52 11.727 5.504 7.783 1.00 4.50 C ATOM 835 NZ LYS A 52 12.435 6.810 7.882 1.00 5.01 N ATOM 0 H LYS A 52 8.672 3.156 5.080 1.00 1.79 H new ATOM 0 HA LYS A 52 7.175 3.272 7.542 1.00 1.97 H new ATOM 0 HB2 LYS A 52 8.215 5.360 5.532 1.00 2.70 H new ATOM 0 HB3 LYS A 52 7.678 5.755 7.153 1.00 2.70 H new ATOM 0 HG2 LYS A 52 9.417 4.253 8.124 1.00 3.42 H new ATOM 0 HG3 LYS A 52 9.925 3.771 6.517 1.00 3.42 H new ATOM 0 HD2 LYS A 52 10.658 6.051 5.984 1.00 3.91 H new ATOM 0 HD3 LYS A 52 9.943 6.683 7.454 1.00 3.91 H new ATOM 0 HE2 LYS A 52 11.516 5.094 8.771 1.00 4.50 H new ATOM 0 HE3 LYS A 52 12.331 4.767 7.254 1.00 4.50 H new ATOM 0 HZ1 LYS A 52 13.332 6.681 8.392 1.00 5.01 H new ATOM 0 HZ2 LYS A 52 12.628 7.173 6.927 1.00 5.01 H new ATOM 0 HZ3 LYS A 52 11.839 7.490 8.397 1.00 5.01 H new ATOM 849 N PRO A 53 4.981 4.417 7.143 1.00 2.16 N ATOM 850 CA PRO A 53 3.560 4.742 6.870 1.00 2.66 C ATOM 851 C PRO A 53 3.409 6.119 6.216 1.00 2.84 C ATOM 852 O PRO A 53 2.378 6.419 5.642 1.00 3.45 O ATOM 853 CB PRO A 53 2.912 4.720 8.247 1.00 3.38 C ATOM 854 CG PRO A 53 4.021 5.010 9.209 1.00 3.44 C ATOM 855 CD PRO A 53 5.302 4.530 8.578 1.00 2.72 C ATOM 0 HA PRO A 53 3.103 4.041 6.172 1.00 2.66 H new ATOM 0 HB2 PRO A 53 2.121 5.466 8.322 1.00 3.38 H new ATOM 0 HB3 PRO A 53 2.456 3.751 8.452 1.00 3.38 H new ATOM 0 HG2 PRO A 53 4.075 6.078 9.422 1.00 3.44 H new ATOM 0 HG3 PRO A 53 3.848 4.504 10.159 1.00 3.44 H new ATOM 0 HD2 PRO A 53 6.117 5.233 8.749 1.00 2.72 H new ATOM 0 HD3 PRO A 53 5.615 3.572 8.992 1.00 2.72 H new ATOM 863 N GLY A 54 4.416 6.958 6.288 1.00 2.67 N ATOM 864 CA GLY A 54 4.305 8.310 5.656 1.00 2.91 C ATOM 865 C GLY A 54 4.689 8.285 4.171 1.00 2.78 C ATOM 866 O GLY A 54 5.209 9.255 3.654 1.00 3.07 O ATOM 0 H GLY A 54 5.303 6.766 6.754 1.00 2.67 H new ATOM 0 HA2 GLY A 54 3.283 8.676 5.760 1.00 2.91 H new ATOM 0 HA3 GLY A 54 4.950 9.011 6.185 1.00 2.91 H new ATOM 870 N ASN A 55 4.425 7.205 3.468 1.00 2.55 N ATOM 871 CA ASN A 55 4.762 7.147 2.006 1.00 2.74 C ATOM 872 C ASN A 55 6.253 7.472 1.772 1.00 2.67 C ATOM 873 O ASN A 55 6.968 7.767 2.709 1.00 2.81 O ATOM 874 CB ASN A 55 3.859 8.204 1.347 1.00 3.37 C ATOM 875 CG ASN A 55 2.759 7.516 0.533 1.00 3.63 C ATOM 876 OD1 ASN A 55 3.040 6.717 -0.338 1.00 3.80 O ATOM 877 ND2 ASN A 55 1.509 7.792 0.786 1.00 4.09 N ATOM 0 H ASN A 55 3.991 6.362 3.844 1.00 2.55 H new ATOM 0 HA ASN A 55 4.598 6.154 1.588 1.00 2.74 H new ATOM 0 HB2 ASN A 55 3.413 8.841 2.111 1.00 3.37 H new ATOM 0 HB3 ASN A 55 4.453 8.849 0.700 1.00 3.37 H new ATOM 0 HD21 ASN A 55 0.768 7.337 0.253 1.00 4.09 H new ATOM 0 HD22 ASN A 55 1.273 8.463 1.517 1.00 4.09 H new ATOM 884 N PRO A 56 6.682 7.399 0.524 1.00 2.84 N ATOM 885 CA PRO A 56 8.104 7.683 0.193 1.00 3.03 C ATOM 886 C PRO A 56 8.427 9.177 0.364 1.00 3.34 C ATOM 887 O PRO A 56 7.565 10.015 0.188 1.00 4.10 O ATOM 888 CB PRO A 56 8.232 7.271 -1.271 1.00 3.64 C ATOM 889 CG PRO A 56 6.844 7.339 -1.818 1.00 3.89 C ATOM 890 CD PRO A 56 5.906 7.049 -0.679 1.00 3.29 C ATOM 0 HA PRO A 56 8.795 7.150 0.846 1.00 3.03 H new ATOM 0 HB2 PRO A 56 8.902 7.940 -1.811 1.00 3.64 H new ATOM 0 HB3 PRO A 56 8.643 6.266 -1.363 1.00 3.64 H new ATOM 0 HG2 PRO A 56 6.644 8.324 -2.241 1.00 3.89 H new ATOM 0 HG3 PRO A 56 6.710 6.614 -2.621 1.00 3.89 H new ATOM 0 HD2 PRO A 56 4.995 7.643 -0.752 1.00 3.29 H new ATOM 0 HD3 PRO A 56 5.604 6.002 -0.668 1.00 3.29 H new ATOM 898 N PRO A 57 9.668 9.467 0.703 1.00 3.04 N ATOM 899 CA PRO A 57 10.086 10.876 0.894 1.00 3.64 C ATOM 900 C PRO A 57 10.180 11.590 -0.458 1.00 4.29 C ATOM 901 O PRO A 57 10.065 10.917 -1.469 1.00 4.82 O ATOM 902 CB PRO A 57 11.462 10.763 1.545 1.00 3.43 C ATOM 903 CG PRO A 57 11.978 9.425 1.128 1.00 2.93 C ATOM 904 CD PRO A 57 10.780 8.533 0.939 1.00 2.55 C ATOM 905 OXT PRO A 57 10.368 12.795 -0.458 1.00 4.61 O ATOM 0 HA PRO A 57 9.384 11.452 1.497 1.00 3.64 H new ATOM 0 HB2 PRO A 57 12.123 11.563 1.211 1.00 3.43 H new ATOM 0 HB3 PRO A 57 11.393 10.839 2.630 1.00 3.43 H new ATOM 0 HG2 PRO A 57 12.551 9.503 0.204 1.00 2.93 H new ATOM 0 HG3 PRO A 57 12.648 9.017 1.885 1.00 2.93 H new ATOM 0 HD2 PRO A 57 10.917 7.856 0.096 1.00 2.55 H new ATOM 0 HD3 PRO A 57 10.601 7.915 1.819 1.00 2.55 H new TER 913 PRO A 57