USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 461 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 50 TYR OH : rot 180:sc= -0.699 USER MOD Set 1.2: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 21 THR OG1 : rot -164:sc= 0.14 USER MOD Set 2.2: A 38 TYR OH : rot 30:sc= 0.133 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.284 K(o=0.11,f=-1.4) USER MOD Set 3.2: A 18 LYS NZ :NH3+ 137:sc= 0.39 (180deg=-0.28) USER MOD Set 3.3: A 60 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 2 THR OG1 : rot 55:sc= 0.35 USER MOD Set 4.2: A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 158:sc= -0.0968 (180deg=-0.612) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 134:sc= 1.93 USER MOD Single : A 24 LYS NZ :NH3+ -111:sc= -0.458 (180deg=-0.578) USER MOD Single : A 30 THR OG1 : rot -140:sc= 0.0342 USER MOD Single : A 33 LYS NZ :NH3+ -110:sc= -0.404 (180deg=-3.54!) USER MOD Single : A 36 LYS NZ :NH3+ -139:sc= -2.07 (180deg=-2.86!) USER MOD Single : A 37 GLN : amide:sc= -0.572 K(o=-0.57,f=-2.2) USER MOD Single : A 40 ASN : amide:sc= -1.17 X(o=-1.2,f=-1.2) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.0459 F(o=-0.99,f=-0.046) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0886 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 41:sc= 0.288 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -0.851 -1.588 -4.179 1.00 1.79 N ATOM 2 CA LEU A 1 -0.189 -2.923 -4.196 1.00 1.17 C ATOM 3 C LEU A 1 1.329 -2.654 -4.196 1.00 0.88 C ATOM 4 O LEU A 1 1.997 -2.875 -5.189 1.00 0.66 O ATOM 5 CB LEU A 1 -0.648 -3.698 -5.478 1.00 0.89 C ATOM 6 CG LEU A 1 -0.101 -5.158 -5.517 1.00 0.50 C ATOM 7 CD1 LEU A 1 -0.629 -5.984 -4.323 1.00 0.82 C ATOM 8 CD2 LEU A 1 -0.557 -5.843 -6.826 1.00 0.68 C ATOM 0 H1 LEU A 1 -1.884 -1.712 -4.178 1.00 1.79 H new ATOM 0 H2 LEU A 1 -0.564 -1.069 -3.324 1.00 1.79 H new ATOM 0 H3 LEU A 1 -0.568 -1.049 -5.022 1.00 1.79 H new ATOM 0 HA LEU A 1 -0.453 -3.537 -3.335 1.00 1.17 H new ATOM 0 HB2 LEU A 1 -1.737 -3.720 -5.516 1.00 0.89 H new ATOM 0 HB3 LEU A 1 -0.309 -3.162 -6.364 1.00 0.89 H new ATOM 0 HG LEU A 1 0.987 -5.112 -5.463 1.00 0.50 H new ATOM 0 HD11 LEU A 1 -0.231 -6.997 -4.377 1.00 0.82 H new ATOM 0 HD12 LEU A 1 -0.311 -5.519 -3.390 1.00 0.82 H new ATOM 0 HD13 LEU A 1 -1.718 -6.020 -4.358 1.00 0.82 H new ATOM 0 HD21 LEU A 1 -0.175 -6.864 -6.855 1.00 0.68 H new ATOM 0 HD22 LEU A 1 -1.646 -5.862 -6.867 1.00 0.68 H new ATOM 0 HD23 LEU A 1 -0.171 -5.287 -7.681 1.00 0.68 H new ATOM 22 N THR A 2 1.795 -2.180 -3.063 1.00 1.09 N ATOM 23 CA THR A 2 3.241 -1.831 -2.813 1.00 0.93 C ATOM 24 C THR A 2 4.131 -1.732 -4.092 1.00 0.57 C ATOM 25 O THR A 2 4.972 -2.575 -4.339 1.00 0.43 O ATOM 26 CB THR A 2 3.811 -2.894 -1.832 1.00 1.11 C ATOM 27 OG1 THR A 2 3.679 -4.152 -2.480 1.00 1.00 O ATOM 28 CG2 THR A 2 2.957 -3.045 -0.559 1.00 1.64 C ATOM 0 H THR A 2 1.198 -2.011 -2.254 1.00 1.09 H new ATOM 0 HA THR A 2 3.267 -0.825 -2.395 1.00 0.93 H new ATOM 0 HB THR A 2 4.826 -2.594 -1.571 1.00 1.11 H new ATOM 0 HG1 THR A 2 4.114 -4.115 -3.357 1.00 1.00 H new ATOM 0 HG21 THR A 2 3.401 -3.800 0.090 1.00 1.64 H new ATOM 0 HG22 THR A 2 2.917 -2.092 -0.032 1.00 1.64 H new ATOM 0 HG23 THR A 2 1.947 -3.351 -0.833 1.00 1.64 H new ATOM 36 N PRO A 3 3.909 -0.690 -4.871 1.00 0.86 N ATOM 37 CA PRO A 3 4.643 -0.407 -6.143 1.00 1.04 C ATOM 38 C PRO A 3 6.175 -0.477 -6.057 1.00 1.12 C ATOM 39 O PRO A 3 6.800 -1.206 -6.802 1.00 1.33 O ATOM 40 CB PRO A 3 4.121 0.983 -6.563 1.00 1.56 C ATOM 41 CG PRO A 3 2.687 0.991 -5.986 1.00 1.72 C ATOM 42 CD PRO A 3 2.894 0.371 -4.598 1.00 1.35 C ATOM 0 HA PRO A 3 4.447 -1.183 -6.882 1.00 1.04 H new ATOM 0 HB2 PRO A 3 4.729 1.787 -6.149 1.00 1.56 H new ATOM 0 HB3 PRO A 3 4.123 1.107 -7.646 1.00 1.56 H new ATOM 0 HG2 PRO A 3 2.278 2.000 -5.925 1.00 1.72 H new ATOM 0 HG3 PRO A 3 1.999 0.405 -6.596 1.00 1.72 H new ATOM 0 HD2 PRO A 3 3.255 1.103 -3.876 1.00 1.35 H new ATOM 0 HD3 PRO A 3 1.970 -0.044 -4.196 1.00 1.35 H new ATOM 50 N ALA A 4 6.719 0.289 -5.146 1.00 1.24 N ATOM 51 CA ALA A 4 8.200 0.339 -4.937 1.00 1.54 C ATOM 52 C ALA A 4 8.614 -0.064 -3.512 1.00 1.00 C ATOM 53 O ALA A 4 9.641 -0.687 -3.331 1.00 1.04 O ATOM 54 CB ALA A 4 8.679 1.769 -5.242 1.00 2.25 C ATOM 0 H ALA A 4 6.187 0.896 -4.523 1.00 1.24 H new ATOM 0 HA ALA A 4 8.666 -0.383 -5.608 1.00 1.54 H new ATOM 0 HB1 ALA A 4 9.757 1.830 -5.096 1.00 2.25 H new ATOM 0 HB2 ALA A 4 8.437 2.021 -6.275 1.00 2.25 H new ATOM 0 HB3 ALA A 4 8.182 2.470 -4.571 1.00 2.25 H new ATOM 60 N VAL A 5 7.806 0.298 -2.546 1.00 0.81 N ATOM 61 CA VAL A 5 8.113 -0.034 -1.115 1.00 0.42 C ATOM 62 C VAL A 5 7.258 -1.233 -0.686 1.00 0.40 C ATOM 63 O VAL A 5 6.085 -1.102 -0.392 1.00 0.53 O ATOM 64 CB VAL A 5 7.803 1.213 -0.237 1.00 0.78 C ATOM 65 CG1 VAL A 5 8.305 0.983 1.212 1.00 1.07 C ATOM 66 CG2 VAL A 5 8.555 2.430 -0.810 1.00 1.00 C ATOM 0 H VAL A 5 6.938 0.814 -2.687 1.00 0.81 H new ATOM 0 HA VAL A 5 9.164 -0.297 -0.995 1.00 0.42 H new ATOM 0 HB VAL A 5 6.726 1.383 -0.235 1.00 0.78 H new ATOM 0 HG11 VAL A 5 8.083 1.862 1.818 1.00 1.07 H new ATOM 0 HG12 VAL A 5 7.804 0.113 1.637 1.00 1.07 H new ATOM 0 HG13 VAL A 5 9.381 0.812 1.201 1.00 1.07 H new ATOM 0 HG21 VAL A 5 8.343 3.309 -0.201 1.00 1.00 H new ATOM 0 HG22 VAL A 5 9.627 2.232 -0.802 1.00 1.00 H new ATOM 0 HG23 VAL A 5 8.227 2.611 -1.834 1.00 1.00 H new ATOM 76 N THR A 6 7.908 -2.370 -0.670 1.00 0.49 N ATOM 77 CA THR A 6 7.253 -3.662 -0.287 1.00 0.54 C ATOM 78 C THR A 6 7.975 -4.247 0.931 1.00 0.44 C ATOM 79 O THR A 6 9.066 -3.825 1.264 1.00 0.46 O ATOM 80 CB THR A 6 7.350 -4.639 -1.488 1.00 0.80 C ATOM 81 OG1 THR A 6 6.797 -3.936 -2.595 1.00 0.81 O ATOM 82 CG2 THR A 6 6.454 -5.889 -1.337 1.00 1.01 C ATOM 0 H THR A 6 8.894 -2.460 -0.914 1.00 0.49 H new ATOM 0 HA THR A 6 6.205 -3.501 -0.034 1.00 0.54 H new ATOM 0 HB THR A 6 8.388 -4.956 -1.583 1.00 0.80 H new ATOM 0 HG1 THR A 6 6.830 -4.504 -3.393 1.00 0.81 H new ATOM 0 HG21 THR A 6 6.571 -6.528 -2.212 1.00 1.01 H new ATOM 0 HG22 THR A 6 6.746 -6.440 -0.443 1.00 1.01 H new ATOM 0 HG23 THR A 6 5.412 -5.581 -1.249 1.00 1.01 H new ATOM 90 N THR A 7 7.341 -5.209 1.551 1.00 0.44 N ATOM 91 CA THR A 7 7.931 -5.873 2.754 1.00 0.40 C ATOM 92 C THR A 7 8.241 -7.319 2.368 1.00 0.35 C ATOM 93 O THR A 7 7.507 -7.935 1.618 1.00 0.41 O ATOM 94 CB THR A 7 6.914 -5.822 3.910 1.00 0.46 C ATOM 95 OG1 THR A 7 6.682 -4.433 4.096 1.00 0.51 O ATOM 96 CG2 THR A 7 7.539 -6.274 5.246 1.00 0.50 C ATOM 0 H THR A 7 6.428 -5.568 1.272 1.00 0.44 H new ATOM 0 HA THR A 7 8.842 -5.372 3.082 1.00 0.40 H new ATOM 0 HB THR A 7 6.051 -6.445 3.674 1.00 0.46 H new ATOM 0 HG1 THR A 7 6.036 -4.303 4.822 1.00 0.51 H new ATOM 0 HG21 THR A 7 6.788 -6.223 6.035 1.00 0.50 H new ATOM 0 HG22 THR A 7 7.897 -7.299 5.152 1.00 0.50 H new ATOM 0 HG23 THR A 7 8.374 -5.620 5.497 1.00 0.50 H new ATOM 104 N TYR A 8 9.325 -7.811 2.906 1.00 0.29 N ATOM 105 CA TYR A 8 9.767 -9.204 2.627 1.00 0.28 C ATOM 106 C TYR A 8 9.997 -9.919 3.950 1.00 0.24 C ATOM 107 O TYR A 8 10.037 -9.293 4.992 1.00 0.34 O ATOM 108 CB TYR A 8 11.037 -9.137 1.807 1.00 0.34 C ATOM 109 CG TYR A 8 11.199 -10.380 0.928 1.00 0.38 C ATOM 110 CD1 TYR A 8 10.531 -10.430 -0.281 1.00 0.70 C ATOM 111 CD2 TYR A 8 11.982 -11.446 1.305 1.00 0.34 C ATOM 112 CE1 TYR A 8 10.643 -11.531 -1.103 1.00 0.81 C ATOM 113 CE2 TYR A 8 12.094 -12.545 0.481 1.00 0.34 C ATOM 114 CZ TYR A 8 11.428 -12.600 -0.727 1.00 0.56 C ATOM 115 OH TYR A 8 11.532 -13.702 -1.553 1.00 0.68 O ATOM 0 H TYR A 8 9.934 -7.293 3.540 1.00 0.29 H new ATOM 0 HA TYR A 8 9.014 -9.759 2.067 1.00 0.28 H new ATOM 0 HB2 TYR A 8 11.021 -8.245 1.180 1.00 0.34 H new ATOM 0 HB3 TYR A 8 11.896 -9.044 2.471 1.00 0.34 H new ATOM 0 HD1 TYR A 8 9.914 -9.597 -0.585 1.00 0.70 H new ATOM 0 HD2 TYR A 8 12.509 -11.422 2.247 1.00 0.34 H new ATOM 0 HE1 TYR A 8 10.114 -11.556 -2.044 1.00 0.81 H new ATOM 0 HE2 TYR A 8 12.713 -13.376 0.785 1.00 0.34 H new ATOM 0 HH TYR A 8 12.124 -14.365 -1.141 1.00 0.68 H new ATOM 125 N LYS A 9 10.162 -11.209 3.858 1.00 0.21 N ATOM 126 CA LYS A 9 10.387 -12.021 5.097 1.00 0.21 C ATOM 127 C LYS A 9 11.698 -12.795 5.045 1.00 0.21 C ATOM 128 O LYS A 9 12.211 -13.069 3.982 1.00 0.27 O ATOM 129 CB LYS A 9 9.209 -13.015 5.280 1.00 0.29 C ATOM 130 CG LYS A 9 7.849 -12.268 5.365 1.00 0.45 C ATOM 131 CD LYS A 9 7.272 -11.971 3.949 1.00 0.64 C ATOM 132 CE LYS A 9 6.022 -11.086 4.066 1.00 0.89 C ATOM 133 NZ LYS A 9 6.371 -9.768 4.677 1.00 1.08 N ATOM 0 H LYS A 9 10.152 -11.738 2.986 1.00 0.21 H new ATOM 0 HA LYS A 9 10.442 -11.333 5.940 1.00 0.21 H new ATOM 0 HB2 LYS A 9 9.190 -13.717 4.446 1.00 0.29 H new ATOM 0 HB3 LYS A 9 9.362 -13.601 6.186 1.00 0.29 H new ATOM 0 HG2 LYS A 9 7.137 -12.869 5.930 1.00 0.45 H new ATOM 0 HG3 LYS A 9 7.980 -11.333 5.909 1.00 0.45 H new ATOM 0 HD2 LYS A 9 8.025 -11.473 3.338 1.00 0.64 H new ATOM 0 HD3 LYS A 9 7.021 -12.905 3.446 1.00 0.64 H new ATOM 0 HE2 LYS A 9 5.584 -10.932 3.080 1.00 0.89 H new ATOM 0 HE3 LYS A 9 5.269 -11.588 4.674 1.00 0.89 H new ATOM 0 HZ1 LYS A 9 5.650 -9.064 4.420 1.00 1.08 H new ATOM 0 HZ2 LYS A 9 6.408 -9.864 5.712 1.00 1.08 H new ATOM 0 HZ3 LYS A 9 7.299 -9.457 4.325 1.00 1.08 H new ATOM 147 N LEU A 10 12.191 -13.110 6.215 1.00 0.28 N ATOM 148 CA LEU A 10 13.467 -13.873 6.374 1.00 0.29 C ATOM 149 C LEU A 10 13.361 -14.964 7.435 1.00 0.34 C ATOM 150 O LEU A 10 12.926 -14.701 8.536 1.00 0.41 O ATOM 151 CB LEU A 10 14.587 -12.890 6.778 1.00 0.31 C ATOM 152 CG LEU A 10 15.813 -13.580 7.468 1.00 0.36 C ATOM 153 CD1 LEU A 10 16.526 -14.531 6.494 1.00 0.39 C ATOM 154 CD2 LEU A 10 16.778 -12.509 8.010 1.00 0.38 C ATOM 0 H LEU A 10 11.745 -12.861 7.098 1.00 0.28 H new ATOM 0 HA LEU A 10 13.688 -14.356 5.422 1.00 0.29 H new ATOM 0 HB2 LEU A 10 14.932 -12.361 5.889 1.00 0.31 H new ATOM 0 HB3 LEU A 10 14.175 -12.141 7.455 1.00 0.31 H new ATOM 0 HG LEU A 10 15.456 -14.179 8.305 1.00 0.36 H new ATOM 0 HD11 LEU A 10 17.373 -14.998 6.996 1.00 0.39 H new ATOM 0 HD12 LEU A 10 15.830 -15.302 6.164 1.00 0.39 H new ATOM 0 HD13 LEU A 10 16.881 -13.968 5.630 1.00 0.39 H new ATOM 0 HD21 LEU A 10 17.629 -12.994 8.489 1.00 0.38 H new ATOM 0 HD22 LEU A 10 17.131 -11.887 7.187 1.00 0.38 H new ATOM 0 HD23 LEU A 10 16.259 -11.886 8.738 1.00 0.38 H new ATOM 166 N VAL A 11 13.772 -16.146 7.069 1.00 0.35 N ATOM 167 CA VAL A 11 13.737 -17.281 8.024 1.00 0.42 C ATOM 168 C VAL A 11 15.202 -17.656 8.189 1.00 0.39 C ATOM 169 O VAL A 11 16.007 -17.635 7.277 1.00 0.52 O ATOM 170 CB VAL A 11 12.935 -18.472 7.455 1.00 0.48 C ATOM 171 CG1 VAL A 11 13.392 -18.889 6.035 1.00 0.53 C ATOM 172 CG2 VAL A 11 13.010 -19.684 8.415 1.00 0.64 C ATOM 0 H VAL A 11 14.133 -16.373 6.142 1.00 0.35 H new ATOM 0 HA VAL A 11 13.251 -17.018 8.964 1.00 0.42 H new ATOM 0 HB VAL A 11 11.902 -18.135 7.369 1.00 0.48 H new ATOM 0 HG11 VAL A 11 12.790 -19.730 5.692 1.00 0.53 H new ATOM 0 HG12 VAL A 11 13.266 -18.050 5.351 1.00 0.53 H new ATOM 0 HG13 VAL A 11 14.442 -19.181 6.062 1.00 0.53 H new ATOM 0 HG21 VAL A 11 12.439 -20.514 7.998 1.00 0.64 H new ATOM 0 HG22 VAL A 11 14.050 -19.985 8.540 1.00 0.64 H new ATOM 0 HG23 VAL A 11 12.593 -19.407 9.384 1.00 0.64 H new ATOM 182 N ILE A 12 15.485 -18.001 9.402 1.00 0.33 N ATOM 183 CA ILE A 12 16.870 -18.399 9.778 1.00 0.32 C ATOM 184 C ILE A 12 16.849 -19.860 10.181 1.00 0.30 C ATOM 185 O ILE A 12 16.034 -20.258 10.988 1.00 0.39 O ATOM 186 CB ILE A 12 17.358 -17.514 10.970 1.00 0.34 C ATOM 187 CG1 ILE A 12 17.395 -16.036 10.496 1.00 0.38 C ATOM 188 CG2 ILE A 12 18.713 -18.016 11.539 1.00 0.39 C ATOM 189 CD1 ILE A 12 18.392 -15.149 11.276 1.00 0.43 C ATOM 0 H ILE A 12 14.810 -18.027 10.166 1.00 0.33 H new ATOM 0 HA ILE A 12 17.552 -18.258 8.940 1.00 0.32 H new ATOM 0 HB ILE A 12 16.662 -17.588 11.806 1.00 0.34 H new ATOM 0 HG12 ILE A 12 17.654 -16.011 9.438 1.00 0.38 H new ATOM 0 HG13 ILE A 12 16.396 -15.610 10.590 1.00 0.38 H new ATOM 0 HG21 ILE A 12 19.020 -17.376 12.366 1.00 0.39 H new ATOM 0 HG22 ILE A 12 18.601 -19.040 11.895 1.00 0.39 H new ATOM 0 HG23 ILE A 12 19.470 -17.985 10.756 1.00 0.39 H new ATOM 0 HD11 ILE A 12 18.358 -14.132 10.885 1.00 0.43 H new ATOM 0 HD12 ILE A 12 18.122 -15.141 12.332 1.00 0.43 H new ATOM 0 HD13 ILE A 12 19.400 -15.548 11.162 1.00 0.43 H new ATOM 201 N ASN A 13 17.752 -20.592 9.593 1.00 0.32 N ATOM 202 CA ASN A 13 17.891 -22.048 9.866 1.00 0.33 C ATOM 203 C ASN A 13 19.330 -22.216 10.364 1.00 0.40 C ATOM 204 O ASN A 13 20.032 -23.148 10.020 1.00 0.55 O ATOM 205 CB ASN A 13 17.609 -22.789 8.539 1.00 0.46 C ATOM 206 CG ASN A 13 17.936 -24.282 8.649 1.00 0.54 C ATOM 207 OD1 ASN A 13 17.391 -25.006 9.455 1.00 0.65 O ATOM 208 ND2 ASN A 13 18.837 -24.764 7.840 1.00 0.69 N ATOM 0 H ASN A 13 18.420 -20.229 8.913 1.00 0.32 H new ATOM 0 HA ASN A 13 17.203 -22.452 10.609 1.00 0.33 H new ATOM 0 HB2 ASN A 13 16.561 -22.664 8.267 1.00 0.46 H new ATOM 0 HB3 ASN A 13 18.201 -22.344 7.739 1.00 0.46 H new ATOM 0 HD21 ASN A 13 19.085 -25.752 7.884 1.00 0.69 H new ATOM 0 HD22 ASN A 13 19.294 -24.153 7.163 1.00 0.69 H new ATOM 215 N GLY A 14 19.682 -21.248 11.176 1.00 0.46 N ATOM 216 CA GLY A 14 21.031 -21.136 11.827 1.00 0.63 C ATOM 217 C GLY A 14 21.880 -22.410 11.745 1.00 0.62 C ATOM 218 O GLY A 14 22.754 -22.524 10.909 1.00 1.00 O ATOM 0 H GLY A 14 19.051 -20.487 11.428 1.00 0.46 H new ATOM 0 HA2 GLY A 14 21.579 -20.318 11.361 1.00 0.63 H new ATOM 0 HA3 GLY A 14 20.894 -20.872 12.876 1.00 0.63 H new ATOM 222 N LYS A 15 21.561 -23.326 12.622 1.00 0.64 N ATOM 223 CA LYS A 15 22.279 -24.640 12.696 1.00 0.73 C ATOM 224 C LYS A 15 21.585 -25.512 13.751 1.00 0.76 C ATOM 225 O LYS A 15 21.283 -26.666 13.517 1.00 1.04 O ATOM 226 CB LYS A 15 23.762 -24.414 13.101 1.00 0.65 C ATOM 227 CG LYS A 15 24.502 -25.774 13.157 1.00 0.84 C ATOM 228 CD LYS A 15 25.978 -25.549 13.515 1.00 0.80 C ATOM 229 CE LYS A 15 26.697 -26.910 13.569 1.00 1.00 C ATOM 230 NZ LYS A 15 28.131 -26.719 13.920 1.00 1.15 N ATOM 0 H LYS A 15 20.814 -23.218 13.308 1.00 0.64 H new ATOM 0 HA LYS A 15 22.254 -25.131 11.723 1.00 0.73 H new ATOM 0 HB2 LYS A 15 24.248 -23.754 12.383 1.00 0.65 H new ATOM 0 HB3 LYS A 15 23.813 -23.921 14.072 1.00 0.65 H new ATOM 0 HG2 LYS A 15 24.034 -26.423 13.897 1.00 0.84 H new ATOM 0 HG3 LYS A 15 24.425 -26.280 12.195 1.00 0.84 H new ATOM 0 HD2 LYS A 15 26.450 -24.903 12.775 1.00 0.80 H new ATOM 0 HD3 LYS A 15 26.059 -25.043 14.477 1.00 0.80 H new ATOM 0 HE2 LYS A 15 26.217 -27.554 14.306 1.00 1.00 H new ATOM 0 HE3 LYS A 15 26.615 -27.412 12.605 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 28.606 -27.643 13.954 1.00 1.15 H new ATOM 0 HZ2 LYS A 15 28.587 -26.121 13.202 1.00 1.15 H new ATOM 0 HZ3 LYS A 15 28.202 -26.259 14.850 1.00 1.15 H new ATOM 244 N THR A 16 21.361 -24.899 14.883 1.00 0.67 N ATOM 245 CA THR A 16 20.698 -25.575 16.043 1.00 0.81 C ATOM 246 C THR A 16 19.289 -25.017 16.252 1.00 0.71 C ATOM 247 O THR A 16 18.355 -25.761 16.480 1.00 0.83 O ATOM 248 CB THR A 16 21.557 -25.345 17.310 1.00 1.07 C ATOM 249 OG1 THR A 16 21.705 -23.932 17.408 1.00 1.10 O ATOM 250 CG2 THR A 16 22.987 -25.892 17.133 1.00 1.28 C ATOM 0 H THR A 16 21.617 -23.928 15.059 1.00 0.67 H new ATOM 0 HA THR A 16 20.613 -26.643 15.843 1.00 0.81 H new ATOM 0 HB THR A 16 21.085 -25.829 18.165 1.00 1.07 H new ATOM 0 HG1 THR A 16 22.243 -23.713 18.198 1.00 1.10 H new ATOM 0 HG21 THR A 16 23.560 -25.713 18.042 1.00 1.28 H new ATOM 0 HG22 THR A 16 22.945 -26.963 16.936 1.00 1.28 H new ATOM 0 HG23 THR A 16 23.468 -25.388 16.295 1.00 1.28 H new ATOM 258 N LEU A 17 19.194 -23.716 16.166 1.00 0.70 N ATOM 259 CA LEU A 17 17.884 -23.016 16.347 1.00 0.71 C ATOM 260 C LEU A 17 17.442 -22.344 15.046 1.00 0.56 C ATOM 261 O LEU A 17 18.215 -22.195 14.118 1.00 0.64 O ATOM 262 CB LEU A 17 18.030 -21.946 17.444 1.00 0.97 C ATOM 263 CG LEU A 17 18.433 -22.574 18.799 1.00 1.16 C ATOM 264 CD1 LEU A 17 18.761 -21.439 19.788 1.00 1.45 C ATOM 265 CD2 LEU A 17 17.258 -23.403 19.369 1.00 1.31 C ATOM 0 H LEU A 17 19.982 -23.097 15.975 1.00 0.70 H new ATOM 0 HA LEU A 17 17.132 -23.752 16.633 1.00 0.71 H new ATOM 0 HB2 LEU A 17 18.781 -21.215 17.143 1.00 0.97 H new ATOM 0 HB3 LEU A 17 17.089 -21.408 17.557 1.00 0.97 H new ATOM 0 HG LEU A 17 19.297 -23.223 18.655 1.00 1.16 H new ATOM 0 HD11 LEU A 17 19.047 -21.866 20.749 1.00 1.45 H new ATOM 0 HD12 LEU A 17 19.584 -20.842 19.396 1.00 1.45 H new ATOM 0 HD13 LEU A 17 17.884 -20.806 19.919 1.00 1.45 H new ATOM 0 HD21 LEU A 17 17.551 -23.841 20.323 1.00 1.31 H new ATOM 0 HD22 LEU A 17 16.394 -22.755 19.517 1.00 1.31 H new ATOM 0 HD23 LEU A 17 17.000 -24.197 18.669 1.00 1.31 H new ATOM 277 N LYS A 18 16.189 -21.967 15.054 1.00 0.59 N ATOM 278 CA LYS A 18 15.541 -21.285 13.891 1.00 0.60 C ATOM 279 C LYS A 18 14.855 -20.004 14.392 1.00 0.87 C ATOM 280 O LYS A 18 14.466 -19.913 15.541 1.00 1.37 O ATOM 281 CB LYS A 18 14.498 -22.231 13.268 1.00 0.72 C ATOM 282 CG LYS A 18 15.201 -23.395 12.532 1.00 0.65 C ATOM 283 CD LYS A 18 14.424 -24.713 12.753 1.00 1.22 C ATOM 284 CE LYS A 18 15.035 -25.834 11.892 1.00 1.66 C ATOM 285 NZ LYS A 18 16.496 -25.979 12.154 1.00 1.68 N ATOM 0 H LYS A 18 15.566 -22.109 15.849 1.00 0.59 H new ATOM 0 HA LYS A 18 16.286 -21.029 13.137 1.00 0.60 H new ATOM 0 HB2 LYS A 18 13.844 -22.626 14.046 1.00 0.72 H new ATOM 0 HB3 LYS A 18 13.867 -21.679 12.571 1.00 0.72 H new ATOM 0 HG2 LYS A 18 15.264 -23.176 11.466 1.00 0.65 H new ATOM 0 HG3 LYS A 18 16.223 -23.501 12.896 1.00 0.65 H new ATOM 0 HD2 LYS A 18 14.457 -24.993 13.806 1.00 1.22 H new ATOM 0 HD3 LYS A 18 13.375 -24.574 12.493 1.00 1.22 H new ATOM 0 HE2 LYS A 18 14.529 -26.776 12.104 1.00 1.66 H new ATOM 0 HE3 LYS A 18 14.872 -25.616 10.837 1.00 1.66 H new ATOM 0 HZ1 LYS A 18 16.738 -26.988 12.220 1.00 1.68 H new ATOM 0 HZ2 LYS A 18 17.033 -25.544 11.377 1.00 1.68 H new ATOM 0 HZ3 LYS A 18 16.737 -25.506 13.048 1.00 1.68 H new ATOM 299 N GLY A 19 14.737 -19.055 13.501 1.00 0.60 N ATOM 300 CA GLY A 19 14.087 -17.747 13.830 1.00 0.84 C ATOM 301 C GLY A 19 13.326 -17.224 12.613 1.00 0.66 C ATOM 302 O GLY A 19 13.568 -17.664 11.508 1.00 0.57 O ATOM 0 H GLY A 19 15.070 -19.131 12.540 1.00 0.60 H new ATOM 0 HA2 GLY A 19 13.404 -17.871 14.671 1.00 0.84 H new ATOM 0 HA3 GLY A 19 14.842 -17.023 14.137 1.00 0.84 H new ATOM 306 N GLU A 20 12.430 -16.305 12.853 1.00 0.78 N ATOM 307 CA GLU A 20 11.621 -15.704 11.752 1.00 0.67 C ATOM 308 C GLU A 20 11.585 -14.194 11.993 1.00 0.59 C ATOM 309 O GLU A 20 11.093 -13.737 13.008 1.00 0.75 O ATOM 310 CB GLU A 20 10.198 -16.314 11.781 1.00 0.79 C ATOM 311 CG GLU A 20 9.279 -15.605 10.746 1.00 0.80 C ATOM 312 CD GLU A 20 9.903 -15.629 9.331 1.00 0.82 C ATOM 313 OE1 GLU A 20 10.116 -16.725 8.836 1.00 1.24 O ATOM 314 OE2 GLU A 20 10.135 -14.546 8.822 1.00 0.78 O ATOM 0 H GLU A 20 12.221 -15.939 13.782 1.00 0.78 H new ATOM 0 HA GLU A 20 12.051 -15.909 10.771 1.00 0.67 H new ATOM 0 HB2 GLU A 20 10.249 -17.380 11.560 1.00 0.79 H new ATOM 0 HB3 GLU A 20 9.774 -16.215 12.780 1.00 0.79 H new ATOM 0 HG2 GLU A 20 8.306 -16.095 10.725 1.00 0.80 H new ATOM 0 HG3 GLU A 20 9.110 -14.573 11.054 1.00 0.80 H new ATOM 321 N THR A 21 12.113 -13.470 11.046 1.00 0.46 N ATOM 322 CA THR A 21 12.158 -11.977 11.132 1.00 0.44 C ATOM 323 C THR A 21 11.742 -11.463 9.757 1.00 0.39 C ATOM 324 O THR A 21 11.584 -12.224 8.826 1.00 0.42 O ATOM 325 CB THR A 21 13.591 -11.497 11.439 1.00 0.56 C ATOM 326 OG1 THR A 21 14.096 -12.402 12.412 1.00 0.70 O ATOM 327 CG2 THR A 21 13.592 -10.141 12.179 1.00 0.65 C ATOM 0 H THR A 21 12.525 -13.856 10.196 1.00 0.46 H new ATOM 0 HA THR A 21 11.504 -11.612 11.924 1.00 0.44 H new ATOM 0 HB THR A 21 14.147 -11.429 10.504 1.00 0.56 H new ATOM 0 HG1 THR A 21 14.894 -12.018 12.833 1.00 0.70 H new ATOM 0 HG21 THR A 21 14.619 -9.836 12.378 1.00 0.65 H new ATOM 0 HG22 THR A 21 13.103 -9.388 11.560 1.00 0.65 H new ATOM 0 HG23 THR A 21 13.054 -10.241 13.122 1.00 0.65 H new ATOM 335 N THR A 22 11.573 -10.178 9.659 1.00 0.38 N ATOM 336 CA THR A 22 11.170 -9.570 8.354 1.00 0.38 C ATOM 337 C THR A 22 11.914 -8.243 8.154 1.00 0.41 C ATOM 338 O THR A 22 12.524 -7.721 9.066 1.00 0.49 O ATOM 339 CB THR A 22 9.638 -9.324 8.348 1.00 0.39 C ATOM 340 OG1 THR A 22 9.398 -8.469 9.457 1.00 0.49 O ATOM 341 CG2 THR A 22 8.844 -10.605 8.678 1.00 0.45 C ATOM 0 H THR A 22 11.696 -9.516 10.425 1.00 0.38 H new ATOM 0 HA THR A 22 11.426 -10.249 7.541 1.00 0.38 H new ATOM 0 HB THR A 22 9.340 -8.945 7.370 1.00 0.39 H new ATOM 0 HG1 THR A 22 8.440 -8.268 9.514 1.00 0.49 H new ATOM 0 HG21 THR A 22 7.776 -10.386 8.662 1.00 0.45 H new ATOM 0 HG22 THR A 22 9.067 -11.373 7.937 1.00 0.45 H new ATOM 0 HG23 THR A 22 9.126 -10.963 9.668 1.00 0.45 H new ATOM 349 N THR A 23 11.828 -7.751 6.949 1.00 0.40 N ATOM 350 CA THR A 23 12.487 -6.463 6.564 1.00 0.43 C ATOM 351 C THR A 23 11.651 -5.785 5.482 1.00 0.39 C ATOM 352 O THR A 23 10.827 -6.419 4.861 1.00 0.39 O ATOM 353 CB THR A 23 13.909 -6.774 6.041 1.00 0.49 C ATOM 354 OG1 THR A 23 14.699 -7.061 7.189 1.00 0.58 O ATOM 355 CG2 THR A 23 14.613 -5.606 5.350 1.00 0.57 C ATOM 0 H THR A 23 11.314 -8.199 6.191 1.00 0.40 H new ATOM 0 HA THR A 23 12.561 -5.794 7.421 1.00 0.43 H new ATOM 0 HB THR A 23 13.808 -7.578 5.312 1.00 0.49 H new ATOM 0 HG1 THR A 23 15.230 -7.869 7.027 1.00 0.58 H new ATOM 0 HG21 THR A 23 15.602 -5.922 5.019 1.00 0.57 H new ATOM 0 HG22 THR A 23 14.027 -5.286 4.488 1.00 0.57 H new ATOM 0 HG23 THR A 23 14.713 -4.776 6.049 1.00 0.57 H new ATOM 363 N LYS A 24 11.891 -4.517 5.279 1.00 0.45 N ATOM 364 CA LYS A 24 11.141 -3.752 4.241 1.00 0.44 C ATOM 365 C LYS A 24 12.217 -3.247 3.267 1.00 0.44 C ATOM 366 O LYS A 24 13.324 -2.955 3.683 1.00 0.48 O ATOM 367 CB LYS A 24 10.416 -2.593 4.928 1.00 0.53 C ATOM 368 CG LYS A 24 9.558 -1.831 3.899 1.00 0.62 C ATOM 369 CD LYS A 24 8.886 -0.597 4.553 1.00 0.94 C ATOM 370 CE LYS A 24 9.933 0.461 4.970 1.00 1.16 C ATOM 371 NZ LYS A 24 10.731 0.900 3.788 1.00 1.27 N ATOM 0 H LYS A 24 12.583 -3.973 5.794 1.00 0.45 H new ATOM 0 HA LYS A 24 10.391 -4.342 3.715 1.00 0.44 H new ATOM 0 HB2 LYS A 24 9.785 -2.972 5.732 1.00 0.53 H new ATOM 0 HB3 LYS A 24 11.140 -1.917 5.383 1.00 0.53 H new ATOM 0 HG2 LYS A 24 10.181 -1.512 3.064 1.00 0.62 H new ATOM 0 HG3 LYS A 24 8.795 -2.494 3.492 1.00 0.62 H new ATOM 0 HD2 LYS A 24 8.177 -0.154 3.854 1.00 0.94 H new ATOM 0 HD3 LYS A 24 8.316 -0.912 5.427 1.00 0.94 H new ATOM 0 HE2 LYS A 24 9.433 1.320 5.418 1.00 1.16 H new ATOM 0 HE3 LYS A 24 10.595 0.046 5.730 1.00 1.16 H new ATOM 0 HZ1 LYS A 24 11.708 0.555 3.881 1.00 1.27 H new ATOM 0 HZ2 LYS A 24 10.308 0.513 2.920 1.00 1.27 H new ATOM 0 HZ3 LYS A 24 10.734 1.939 3.738 1.00 1.27 H new ATOM 385 N ALA A 25 11.869 -3.152 2.009 1.00 0.44 N ATOM 386 CA ALA A 25 12.856 -2.674 0.991 1.00 0.48 C ATOM 387 C ALA A 25 12.253 -1.643 0.042 1.00 0.45 C ATOM 388 O ALA A 25 11.054 -1.445 0.004 1.00 0.56 O ATOM 389 CB ALA A 25 13.352 -3.887 0.201 1.00 0.70 C ATOM 0 H ALA A 25 10.946 -3.384 1.642 1.00 0.44 H new ATOM 0 HA ALA A 25 13.680 -2.182 1.508 1.00 0.48 H new ATOM 0 HB1 ALA A 25 14.074 -3.563 -0.548 1.00 0.70 H new ATOM 0 HB2 ALA A 25 13.827 -4.594 0.881 1.00 0.70 H new ATOM 0 HB3 ALA A 25 12.508 -4.369 -0.293 1.00 0.70 H new ATOM 395 N VAL A 26 13.139 -1.030 -0.697 1.00 0.42 N ATOM 396 CA VAL A 26 12.771 0.010 -1.695 1.00 0.58 C ATOM 397 C VAL A 26 13.155 -0.627 -3.033 1.00 0.62 C ATOM 398 O VAL A 26 12.336 -0.760 -3.921 1.00 0.83 O ATOM 399 CB VAL A 26 13.590 1.283 -1.390 1.00 0.71 C ATOM 400 CG1 VAL A 26 13.316 2.370 -2.450 1.00 0.97 C ATOM 401 CG2 VAL A 26 13.204 1.819 0.009 1.00 0.80 C ATOM 0 H VAL A 26 14.140 -1.217 -0.645 1.00 0.42 H new ATOM 0 HA VAL A 26 11.722 0.307 -1.689 1.00 0.58 H new ATOM 0 HB VAL A 26 14.650 1.032 -1.412 1.00 0.71 H new ATOM 0 HG11 VAL A 26 13.902 3.260 -2.219 1.00 0.97 H new ATOM 0 HG12 VAL A 26 13.597 1.997 -3.435 1.00 0.97 H new ATOM 0 HG13 VAL A 26 12.256 2.623 -2.446 1.00 0.97 H new ATOM 0 HG21 VAL A 26 13.781 2.718 0.226 1.00 0.80 H new ATOM 0 HG22 VAL A 26 12.141 2.058 0.027 1.00 0.80 H new ATOM 0 HG23 VAL A 26 13.418 1.060 0.761 1.00 0.80 H new ATOM 411 N ASP A 27 14.408 -0.995 -3.115 1.00 0.51 N ATOM 412 CA ASP A 27 14.968 -1.644 -4.339 1.00 0.57 C ATOM 413 C ASP A 27 15.511 -3.026 -3.919 1.00 0.51 C ATOM 414 O ASP A 27 15.708 -3.291 -2.748 1.00 0.53 O ATOM 415 CB ASP A 27 16.082 -0.714 -4.886 1.00 0.73 C ATOM 416 CG ASP A 27 16.722 -1.276 -6.176 1.00 0.78 C ATOM 417 OD1 ASP A 27 17.540 -2.168 -6.034 1.00 0.65 O ATOM 418 OD2 ASP A 27 16.353 -0.781 -7.227 1.00 1.29 O ATOM 0 H ASP A 27 15.085 -0.869 -2.363 1.00 0.51 H new ATOM 0 HA ASP A 27 14.228 -1.791 -5.125 1.00 0.57 H new ATOM 0 HB2 ASP A 27 15.664 0.272 -5.088 1.00 0.73 H new ATOM 0 HB3 ASP A 27 16.852 -0.584 -4.126 1.00 0.73 H new ATOM 423 N ALA A 28 15.739 -3.881 -4.884 1.00 0.59 N ATOM 424 CA ALA A 28 16.272 -5.253 -4.591 1.00 0.73 C ATOM 425 C ALA A 28 17.521 -5.147 -3.705 1.00 0.68 C ATOM 426 O ALA A 28 17.663 -5.848 -2.720 1.00 0.77 O ATOM 427 CB ALA A 28 16.609 -5.937 -5.923 1.00 0.90 C ATOM 0 H ALA A 28 15.578 -3.688 -5.873 1.00 0.59 H new ATOM 0 HA ALA A 28 15.527 -5.843 -4.057 1.00 0.73 H new ATOM 0 HB1 ALA A 28 16.998 -6.937 -5.730 1.00 0.90 H new ATOM 0 HB2 ALA A 28 15.708 -6.010 -6.533 1.00 0.90 H new ATOM 0 HB3 ALA A 28 17.360 -5.351 -6.453 1.00 0.90 H new ATOM 433 N GLU A 29 18.388 -4.253 -4.110 1.00 0.63 N ATOM 434 CA GLU A 29 19.665 -3.991 -3.381 1.00 0.72 C ATOM 435 C GLU A 29 19.336 -3.772 -1.902 1.00 0.61 C ATOM 436 O GLU A 29 19.874 -4.436 -1.040 1.00 0.76 O ATOM 437 CB GLU A 29 20.318 -2.738 -3.979 1.00 0.82 C ATOM 438 CG GLU A 29 20.770 -3.027 -5.423 1.00 1.02 C ATOM 439 CD GLU A 29 21.333 -1.741 -6.049 1.00 1.26 C ATOM 440 OE1 GLU A 29 20.521 -0.860 -6.294 1.00 1.23 O ATOM 441 OE2 GLU A 29 22.539 -1.713 -6.242 1.00 1.60 O ATOM 0 H GLU A 29 18.258 -3.677 -4.942 1.00 0.63 H new ATOM 0 HA GLU A 29 20.354 -4.830 -3.475 1.00 0.72 H new ATOM 0 HB2 GLU A 29 19.612 -1.908 -3.968 1.00 0.82 H new ATOM 0 HB3 GLU A 29 21.173 -2.437 -3.373 1.00 0.82 H new ATOM 0 HG2 GLU A 29 21.529 -3.810 -5.428 1.00 1.02 H new ATOM 0 HG3 GLU A 29 19.930 -3.394 -6.012 1.00 1.02 H new ATOM 448 N THR A 30 18.444 -2.833 -1.683 1.00 0.45 N ATOM 449 CA THR A 30 17.987 -2.468 -0.306 1.00 0.37 C ATOM 450 C THR A 30 17.676 -3.718 0.511 1.00 0.38 C ATOM 451 O THR A 30 18.219 -3.903 1.578 1.00 0.50 O ATOM 452 CB THR A 30 16.708 -1.596 -0.374 1.00 0.34 C ATOM 453 OG1 THR A 30 17.041 -0.500 -1.214 1.00 0.45 O ATOM 454 CG2 THR A 30 16.414 -0.939 0.988 1.00 0.43 C ATOM 0 H THR A 30 18.003 -2.290 -2.425 1.00 0.45 H new ATOM 0 HA THR A 30 18.793 -1.911 0.171 1.00 0.37 H new ATOM 0 HB THR A 30 15.868 -2.210 -0.699 1.00 0.34 H new ATOM 0 HG1 THR A 30 16.648 0.321 -0.851 1.00 0.45 H new ATOM 0 HG21 THR A 30 15.511 -0.333 0.912 1.00 0.43 H new ATOM 0 HG22 THR A 30 16.269 -1.713 1.742 1.00 0.43 H new ATOM 0 HG23 THR A 30 17.253 -0.306 1.275 1.00 0.43 H new ATOM 462 N ALA A 31 16.810 -4.543 -0.023 1.00 0.40 N ATOM 463 CA ALA A 31 16.427 -5.796 0.699 1.00 0.47 C ATOM 464 C ALA A 31 17.606 -6.642 1.144 1.00 0.54 C ATOM 465 O ALA A 31 17.786 -6.880 2.322 1.00 0.60 O ATOM 466 CB ALA A 31 15.532 -6.672 -0.200 1.00 0.54 C ATOM 0 H ALA A 31 16.353 -4.404 -0.924 1.00 0.40 H new ATOM 0 HA ALA A 31 15.903 -5.462 1.594 1.00 0.47 H new ATOM 0 HB1 ALA A 31 15.259 -7.582 0.335 1.00 0.54 H new ATOM 0 HB2 ALA A 31 14.629 -6.120 -0.463 1.00 0.54 H new ATOM 0 HB3 ALA A 31 16.074 -6.934 -1.108 1.00 0.54 H new ATOM 472 N GLU A 32 18.380 -7.064 0.181 1.00 0.59 N ATOM 473 CA GLU A 32 19.563 -7.911 0.510 1.00 0.68 C ATOM 474 C GLU A 32 20.459 -7.230 1.531 1.00 0.57 C ATOM 475 O GLU A 32 20.790 -7.837 2.525 1.00 0.59 O ATOM 476 CB GLU A 32 20.359 -8.203 -0.785 1.00 0.88 C ATOM 477 CG GLU A 32 21.603 -9.076 -0.457 1.00 1.11 C ATOM 478 CD GLU A 32 22.355 -9.429 -1.752 1.00 1.46 C ATOM 479 OE1 GLU A 32 21.789 -10.192 -2.519 1.00 1.63 O ATOM 480 OE2 GLU A 32 23.453 -8.914 -1.904 1.00 1.66 O ATOM 0 H GLU A 32 18.247 -6.862 -0.810 1.00 0.59 H new ATOM 0 HA GLU A 32 19.212 -8.846 0.946 1.00 0.68 H new ATOM 0 HB2 GLU A 32 19.723 -8.718 -1.505 1.00 0.88 H new ATOM 0 HB3 GLU A 32 20.673 -7.267 -1.248 1.00 0.88 H new ATOM 0 HG2 GLU A 32 22.265 -8.539 0.223 1.00 1.11 H new ATOM 0 HG3 GLU A 32 21.293 -9.988 0.053 1.00 1.11 H new ATOM 487 N LYS A 33 20.823 -6.004 1.281 1.00 0.54 N ATOM 488 CA LYS A 33 21.705 -5.281 2.243 1.00 0.46 C ATOM 489 C LYS A 33 21.086 -5.225 3.641 1.00 0.36 C ATOM 490 O LYS A 33 21.758 -5.557 4.597 1.00 0.33 O ATOM 491 CB LYS A 33 21.953 -3.862 1.688 1.00 0.55 C ATOM 492 CG LYS A 33 22.799 -3.996 0.400 1.00 0.64 C ATOM 493 CD LYS A 33 22.995 -2.617 -0.262 1.00 0.78 C ATOM 494 CE LYS A 33 23.881 -2.778 -1.515 1.00 0.90 C ATOM 495 NZ LYS A 33 23.220 -3.668 -2.514 1.00 1.00 N ATOM 0 H LYS A 33 20.550 -5.471 0.455 1.00 0.54 H new ATOM 0 HA LYS A 33 22.650 -5.814 2.345 1.00 0.46 H new ATOM 0 HB2 LYS A 33 21.007 -3.366 1.473 1.00 0.55 H new ATOM 0 HB3 LYS A 33 22.474 -3.250 2.424 1.00 0.55 H new ATOM 0 HG2 LYS A 33 23.769 -4.433 0.638 1.00 0.64 H new ATOM 0 HG3 LYS A 33 22.307 -4.674 -0.297 1.00 0.64 H new ATOM 0 HD2 LYS A 33 22.030 -2.191 -0.536 1.00 0.78 H new ATOM 0 HD3 LYS A 33 23.460 -1.926 0.441 1.00 0.78 H new ATOM 0 HE2 LYS A 33 24.072 -1.801 -1.960 1.00 0.90 H new ATOM 0 HE3 LYS A 33 24.848 -3.194 -1.232 1.00 0.90 H new ATOM 0 HZ1 LYS A 33 23.735 -4.570 -2.570 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 22.238 -3.848 -2.222 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 23.225 -3.207 -3.446 1.00 1.00 H new ATOM 509 N ALA A 34 19.841 -4.827 3.738 1.00 0.37 N ATOM 510 CA ALA A 34 19.177 -4.752 5.072 1.00 0.32 C ATOM 511 C ALA A 34 19.253 -6.111 5.776 1.00 0.32 C ATOM 512 O ALA A 34 19.704 -6.187 6.903 1.00 0.40 O ATOM 513 CB ALA A 34 17.726 -4.318 4.847 1.00 0.38 C ATOM 0 H ALA A 34 19.257 -4.551 2.949 1.00 0.37 H new ATOM 0 HA ALA A 34 19.678 -4.029 5.715 1.00 0.32 H new ATOM 0 HB1 ALA A 34 17.213 -4.254 5.806 1.00 0.38 H new ATOM 0 HB2 ALA A 34 17.709 -3.343 4.360 1.00 0.38 H new ATOM 0 HB3 ALA A 34 17.222 -5.048 4.214 1.00 0.38 H new ATOM 519 N PHE A 35 18.828 -7.151 5.097 1.00 0.38 N ATOM 520 CA PHE A 35 18.875 -8.502 5.727 1.00 0.37 C ATOM 521 C PHE A 35 20.318 -8.894 6.075 1.00 0.38 C ATOM 522 O PHE A 35 20.575 -9.319 7.181 1.00 0.41 O ATOM 523 CB PHE A 35 18.234 -9.525 4.744 1.00 0.42 C ATOM 524 CG PHE A 35 16.705 -9.689 4.972 1.00 0.38 C ATOM 525 CD1 PHE A 35 16.143 -9.675 6.244 1.00 0.45 C ATOM 526 CD2 PHE A 35 15.862 -9.876 3.889 1.00 0.38 C ATOM 527 CE1 PHE A 35 14.786 -9.840 6.423 1.00 0.48 C ATOM 528 CE2 PHE A 35 14.501 -10.041 4.071 1.00 0.40 C ATOM 529 CZ PHE A 35 13.958 -10.025 5.340 1.00 0.44 C ATOM 0 H PHE A 35 18.456 -7.121 4.148 1.00 0.38 H new ATOM 0 HA PHE A 35 18.314 -8.495 6.661 1.00 0.37 H new ATOM 0 HB2 PHE A 35 18.413 -9.201 3.719 1.00 0.42 H new ATOM 0 HB3 PHE A 35 18.722 -10.493 4.862 1.00 0.42 H new ATOM 0 HD1 PHE A 35 16.779 -9.533 7.105 1.00 0.45 H new ATOM 0 HD2 PHE A 35 16.273 -9.893 2.890 1.00 0.38 H new ATOM 0 HE1 PHE A 35 14.370 -9.824 7.420 1.00 0.48 H new ATOM 0 HE2 PHE A 35 13.859 -10.183 3.215 1.00 0.40 H new ATOM 0 HZ PHE A 35 12.895 -10.156 5.481 1.00 0.44 H new ATOM 539 N LYS A 36 21.226 -8.746 5.145 1.00 0.40 N ATOM 540 CA LYS A 36 22.655 -9.099 5.390 1.00 0.41 C ATOM 541 C LYS A 36 23.142 -8.419 6.669 1.00 0.39 C ATOM 542 O LYS A 36 23.612 -9.089 7.562 1.00 0.47 O ATOM 543 CB LYS A 36 23.472 -8.641 4.156 1.00 0.47 C ATOM 544 CG LYS A 36 24.974 -9.008 4.273 1.00 0.46 C ATOM 545 CD LYS A 36 25.243 -10.541 4.300 1.00 0.49 C ATOM 546 CE LYS A 36 24.795 -11.231 2.988 1.00 0.56 C ATOM 547 NZ LYS A 36 23.313 -11.406 2.943 1.00 0.62 N ATOM 0 H LYS A 36 21.033 -8.389 4.209 1.00 0.40 H new ATOM 0 HA LYS A 36 22.778 -10.173 5.526 1.00 0.41 H new ATOM 0 HB2 LYS A 36 23.057 -9.100 3.258 1.00 0.47 H new ATOM 0 HB3 LYS A 36 23.372 -7.562 4.038 1.00 0.47 H new ATOM 0 HG2 LYS A 36 25.513 -8.568 3.434 1.00 0.46 H new ATOM 0 HG3 LYS A 36 25.379 -8.561 5.181 1.00 0.46 H new ATOM 0 HD2 LYS A 36 26.306 -10.720 4.459 1.00 0.49 H new ATOM 0 HD3 LYS A 36 24.715 -10.987 5.143 1.00 0.49 H new ATOM 0 HE2 LYS A 36 25.119 -10.637 2.134 1.00 0.56 H new ATOM 0 HE3 LYS A 36 25.280 -12.203 2.902 1.00 0.56 H new ATOM 0 HZ1 LYS A 36 23.086 -12.342 2.550 1.00 0.62 H new ATOM 0 HZ2 LYS A 36 22.925 -11.331 3.905 1.00 0.62 H new ATOM 0 HZ3 LYS A 36 22.894 -10.667 2.342 1.00 0.62 H new ATOM 561 N GLN A 37 23.013 -7.115 6.722 1.00 0.36 N ATOM 562 CA GLN A 37 23.451 -6.342 7.923 1.00 0.38 C ATOM 563 C GLN A 37 22.846 -6.998 9.168 1.00 0.39 C ATOM 564 O GLN A 37 23.567 -7.370 10.069 1.00 0.49 O ATOM 565 CB GLN A 37 22.963 -4.881 7.774 1.00 0.45 C ATOM 566 CG GLN A 37 23.408 -3.998 8.972 1.00 0.52 C ATOM 567 CD GLN A 37 24.935 -3.827 9.004 1.00 0.77 C ATOM 568 OE1 GLN A 37 25.680 -4.753 9.250 1.00 1.00 O ATOM 569 NE2 GLN A 37 25.440 -2.649 8.756 1.00 1.01 N ATOM 0 H GLN A 37 22.617 -6.548 5.973 1.00 0.36 H new ATOM 0 HA GLN A 37 24.537 -6.340 8.018 1.00 0.38 H new ATOM 0 HB2 GLN A 37 23.354 -4.460 6.848 1.00 0.45 H new ATOM 0 HB3 GLN A 37 21.876 -4.867 7.697 1.00 0.45 H new ATOM 0 HG2 GLN A 37 22.932 -3.020 8.902 1.00 0.52 H new ATOM 0 HG3 GLN A 37 23.071 -4.450 9.905 1.00 0.52 H new ATOM 0 HE21 GLN A 37 24.824 -1.863 8.548 1.00 1.01 H new ATOM 0 HE22 GLN A 37 26.451 -2.514 8.770 1.00 1.01 H new ATOM 578 N TYR A 38 21.538 -7.117 9.176 1.00 0.32 N ATOM 579 CA TYR A 38 20.821 -7.745 10.330 1.00 0.36 C ATOM 580 C TYR A 38 21.486 -9.068 10.753 1.00 0.34 C ATOM 581 O TYR A 38 21.863 -9.241 11.895 1.00 0.40 O ATOM 582 CB TYR A 38 19.346 -7.984 9.915 1.00 0.45 C ATOM 583 CG TYR A 38 18.621 -8.848 10.965 1.00 0.49 C ATOM 584 CD1 TYR A 38 18.395 -8.366 12.242 1.00 0.67 C ATOM 585 CD2 TYR A 38 18.192 -10.124 10.642 1.00 0.69 C ATOM 586 CE1 TYR A 38 17.752 -9.148 13.179 1.00 0.82 C ATOM 587 CE2 TYR A 38 17.550 -10.906 11.582 1.00 0.84 C ATOM 588 CZ TYR A 38 17.326 -10.420 12.856 1.00 0.83 C ATOM 589 OH TYR A 38 16.683 -11.192 13.803 1.00 1.06 O ATOM 0 H TYR A 38 20.930 -6.801 8.420 1.00 0.32 H new ATOM 0 HA TYR A 38 20.866 -7.077 11.190 1.00 0.36 H new ATOM 0 HB2 TYR A 38 18.834 -7.028 9.806 1.00 0.45 H new ATOM 0 HB3 TYR A 38 19.311 -8.477 8.943 1.00 0.45 H new ATOM 0 HD1 TYR A 38 18.724 -7.372 12.507 1.00 0.67 H new ATOM 0 HD2 TYR A 38 18.361 -10.511 9.648 1.00 0.69 H new ATOM 0 HE1 TYR A 38 17.581 -8.762 14.173 1.00 0.82 H new ATOM 0 HE2 TYR A 38 17.222 -11.901 11.320 1.00 0.84 H new ATOM 0 HH TYR A 38 16.195 -10.610 14.423 1.00 1.06 H new ATOM 599 N ALA A 39 21.619 -9.966 9.810 1.00 0.33 N ATOM 600 CA ALA A 39 22.247 -11.289 10.115 1.00 0.35 C ATOM 601 C ALA A 39 23.670 -11.137 10.647 1.00 0.33 C ATOM 602 O ALA A 39 24.023 -11.777 11.611 1.00 0.39 O ATOM 603 CB ALA A 39 22.256 -12.129 8.847 1.00 0.46 C ATOM 0 H ALA A 39 21.320 -9.841 8.843 1.00 0.33 H new ATOM 0 HA ALA A 39 21.661 -11.777 10.894 1.00 0.35 H new ATOM 0 HB1 ALA A 39 22.712 -13.097 9.055 1.00 0.46 H new ATOM 0 HB2 ALA A 39 21.233 -12.276 8.501 1.00 0.46 H new ATOM 0 HB3 ALA A 39 22.830 -11.616 8.075 1.00 0.46 H new ATOM 609 N ASN A 40 24.458 -10.314 10.011 1.00 0.46 N ATOM 610 CA ASN A 40 25.867 -10.091 10.461 1.00 0.47 C ATOM 611 C ASN A 40 25.844 -9.660 11.935 1.00 0.43 C ATOM 612 O ASN A 40 26.487 -10.268 12.768 1.00 0.44 O ATOM 613 CB ASN A 40 26.488 -8.995 9.565 1.00 0.58 C ATOM 614 CG ASN A 40 26.512 -9.426 8.088 1.00 0.68 C ATOM 615 OD1 ASN A 40 26.825 -8.635 7.220 1.00 0.82 O ATOM 616 ND2 ASN A 40 26.198 -10.645 7.736 1.00 0.72 N ATOM 0 H ASN A 40 24.184 -9.778 9.187 1.00 0.46 H new ATOM 0 HA ASN A 40 26.466 -10.998 10.376 1.00 0.47 H new ATOM 0 HB2 ASN A 40 25.917 -8.072 9.667 1.00 0.58 H new ATOM 0 HB3 ASN A 40 27.503 -8.781 9.900 1.00 0.58 H new ATOM 0 HD21 ASN A 40 26.219 -10.913 6.752 1.00 0.72 H new ATOM 0 HD22 ASN A 40 25.932 -11.328 8.445 1.00 0.72 H new ATOM 623 N ASP A 41 25.091 -8.617 12.185 1.00 0.43 N ATOM 624 CA ASP A 41 24.925 -8.044 13.557 1.00 0.42 C ATOM 625 C ASP A 41 24.647 -9.191 14.539 1.00 0.34 C ATOM 626 O ASP A 41 25.347 -9.368 15.516 1.00 0.43 O ATOM 627 CB ASP A 41 23.759 -7.049 13.506 1.00 0.47 C ATOM 628 CG ASP A 41 23.575 -6.324 14.852 1.00 0.49 C ATOM 629 OD1 ASP A 41 23.142 -6.988 15.781 1.00 0.62 O ATOM 630 OD2 ASP A 41 23.881 -5.143 14.879 1.00 0.62 O ATOM 0 H ASP A 41 24.565 -8.121 11.466 1.00 0.43 H new ATOM 0 HA ASP A 41 25.822 -7.524 13.893 1.00 0.42 H new ATOM 0 HB2 ASP A 41 23.939 -6.317 12.719 1.00 0.47 H new ATOM 0 HB3 ASP A 41 22.841 -7.576 13.247 1.00 0.47 H new ATOM 635 N ASN A 42 23.609 -9.921 14.214 1.00 0.31 N ATOM 636 CA ASN A 42 23.169 -11.091 15.036 1.00 0.28 C ATOM 637 C ASN A 42 24.343 -12.067 15.280 1.00 0.31 C ATOM 638 O ASN A 42 24.641 -12.407 16.409 1.00 0.44 O ATOM 639 CB ASN A 42 22.014 -11.775 14.277 1.00 0.30 C ATOM 640 CG ASN A 42 21.361 -12.909 15.085 1.00 0.36 C ATOM 641 OD1 ASN A 42 21.720 -13.140 16.317 1.00 0.46 O flip ATOM 642 ND2 ASN A 42 20.499 -13.606 14.589 1.00 0.68 N flip ATOM 0 H ASN A 42 23.033 -9.749 13.390 1.00 0.31 H new ATOM 0 HA ASN A 42 22.830 -10.765 16.019 1.00 0.28 H new ATOM 0 HB2 ASN A 42 21.258 -11.031 14.027 1.00 0.30 H new ATOM 0 HB3 ASN A 42 22.390 -12.175 13.336 1.00 0.30 H new ATOM 0 HD21 ASN A 42 20.203 -13.443 13.627 1.00 0.68 H new ATOM 0 HD22 ASN A 42 20.071 -14.354 15.135 1.00 0.68 H new ATOM 649 N GLY A 43 24.962 -12.480 14.200 1.00 0.32 N ATOM 650 CA GLY A 43 26.120 -13.426 14.238 1.00 0.43 C ATOM 651 C GLY A 43 25.810 -14.689 13.424 1.00 0.38 C ATOM 652 O GLY A 43 26.181 -15.780 13.810 1.00 0.47 O ATOM 0 H GLY A 43 24.700 -12.188 13.259 1.00 0.32 H new ATOM 0 HA2 GLY A 43 27.009 -12.938 13.838 1.00 0.43 H new ATOM 0 HA3 GLY A 43 26.342 -13.697 15.270 1.00 0.43 H new ATOM 656 N VAL A 44 25.135 -14.493 12.316 1.00 0.37 N ATOM 657 CA VAL A 44 24.758 -15.632 11.410 1.00 0.34 C ATOM 658 C VAL A 44 25.290 -15.318 9.999 1.00 0.40 C ATOM 659 O VAL A 44 25.668 -14.192 9.739 1.00 0.60 O ATOM 660 CB VAL A 44 23.208 -15.780 11.344 1.00 0.37 C ATOM 661 CG1 VAL A 44 22.823 -17.207 10.885 1.00 0.43 C ATOM 662 CG2 VAL A 44 22.584 -15.576 12.748 1.00 0.45 C ATOM 0 H VAL A 44 24.823 -13.577 11.994 1.00 0.37 H new ATOM 0 HA VAL A 44 25.185 -16.560 11.791 1.00 0.34 H new ATOM 0 HB VAL A 44 22.839 -15.032 10.643 1.00 0.37 H new ATOM 0 HG11 VAL A 44 21.737 -17.295 10.844 1.00 0.43 H new ATOM 0 HG12 VAL A 44 23.240 -17.396 9.896 1.00 0.43 H new ATOM 0 HG13 VAL A 44 23.220 -17.936 11.592 1.00 0.43 H new ATOM 0 HG21 VAL A 44 21.501 -15.683 12.684 1.00 0.45 H new ATOM 0 HG22 VAL A 44 22.982 -16.323 13.435 1.00 0.45 H new ATOM 0 HG23 VAL A 44 22.829 -14.579 13.114 1.00 0.45 H new ATOM 672 N ASP A 45 25.276 -16.335 9.164 1.00 0.36 N ATOM 673 CA ASP A 45 25.735 -16.298 7.728 1.00 0.35 C ATOM 674 C ASP A 45 26.389 -17.642 7.326 1.00 0.36 C ATOM 675 O ASP A 45 26.755 -18.447 8.160 1.00 0.49 O ATOM 676 CB ASP A 45 26.799 -15.152 7.490 1.00 0.43 C ATOM 677 CG ASP A 45 27.438 -15.214 6.084 1.00 0.38 C ATOM 678 OD1 ASP A 45 26.699 -15.036 5.130 1.00 0.35 O ATOM 679 OD2 ASP A 45 28.636 -15.441 6.044 1.00 0.54 O ATOM 0 H ASP A 45 24.940 -17.257 9.443 1.00 0.36 H new ATOM 0 HA ASP A 45 24.849 -16.109 7.121 1.00 0.35 H new ATOM 0 HB2 ASP A 45 26.319 -14.183 7.624 1.00 0.43 H new ATOM 0 HB3 ASP A 45 27.582 -15.227 8.244 1.00 0.43 H new ATOM 684 N GLY A 46 26.505 -17.811 6.032 1.00 0.34 N ATOM 685 CA GLY A 46 27.111 -19.031 5.401 1.00 0.38 C ATOM 686 C GLY A 46 26.417 -19.260 4.051 1.00 0.35 C ATOM 687 O GLY A 46 27.013 -19.105 3.004 1.00 0.46 O ATOM 0 H GLY A 46 26.189 -17.119 5.353 1.00 0.34 H new ATOM 0 HA2 GLY A 46 28.183 -18.895 5.260 1.00 0.38 H new ATOM 0 HA3 GLY A 46 26.982 -19.899 6.048 1.00 0.38 H new ATOM 691 N VAL A 47 25.168 -19.626 4.139 1.00 0.32 N ATOM 692 CA VAL A 47 24.307 -19.890 2.941 1.00 0.33 C ATOM 693 C VAL A 47 23.227 -18.840 3.206 1.00 0.26 C ATOM 694 O VAL A 47 22.117 -19.106 3.625 1.00 0.32 O ATOM 695 CB VAL A 47 23.737 -21.311 3.002 1.00 0.48 C ATOM 696 CG1 VAL A 47 22.937 -21.607 1.714 1.00 0.65 C ATOM 697 CG2 VAL A 47 24.874 -22.346 3.147 1.00 0.60 C ATOM 0 H VAL A 47 24.686 -19.759 5.028 1.00 0.32 H new ATOM 0 HA VAL A 47 24.792 -19.828 1.967 1.00 0.33 H new ATOM 0 HB VAL A 47 23.080 -21.384 3.869 1.00 0.48 H new ATOM 0 HG11 VAL A 47 22.533 -22.618 1.761 1.00 0.65 H new ATOM 0 HG12 VAL A 47 22.118 -20.893 1.622 1.00 0.65 H new ATOM 0 HG13 VAL A 47 23.594 -21.519 0.849 1.00 0.65 H new ATOM 0 HG21 VAL A 47 24.450 -23.349 3.189 1.00 0.60 H new ATOM 0 HG22 VAL A 47 25.545 -22.271 2.292 1.00 0.60 H new ATOM 0 HG23 VAL A 47 25.431 -22.149 4.063 1.00 0.60 H new ATOM 707 N TRP A 48 23.662 -17.647 2.926 1.00 0.21 N ATOM 708 CA TRP A 48 22.842 -16.416 3.102 1.00 0.18 C ATOM 709 C TRP A 48 22.361 -15.832 1.772 1.00 0.18 C ATOM 710 O TRP A 48 23.014 -15.009 1.158 1.00 0.32 O ATOM 711 CB TRP A 48 23.712 -15.486 3.824 1.00 0.26 C ATOM 712 CG TRP A 48 23.013 -14.364 4.588 1.00 0.26 C ATOM 713 CD1 TRP A 48 23.768 -13.482 5.262 1.00 0.36 C ATOM 714 CD2 TRP A 48 21.699 -14.063 4.759 1.00 0.23 C ATOM 715 NE1 TRP A 48 22.892 -12.681 5.816 1.00 0.36 N ATOM 716 CE2 TRP A 48 21.625 -12.950 5.572 1.00 0.28 C ATOM 717 CE3 TRP A 48 20.515 -14.617 4.316 1.00 0.24 C ATOM 718 CZ2 TRP A 48 20.418 -12.413 5.931 1.00 0.31 C ATOM 719 CZ3 TRP A 48 19.306 -14.082 4.671 1.00 0.30 C ATOM 720 CH2 TRP A 48 19.254 -12.977 5.480 1.00 0.31 C ATOM 0 H TRP A 48 24.599 -17.466 2.565 1.00 0.21 H new ATOM 0 HA TRP A 48 21.923 -16.627 3.649 1.00 0.18 H new ATOM 0 HB2 TRP A 48 24.314 -16.058 4.530 1.00 0.26 H new ATOM 0 HB3 TRP A 48 24.401 -15.036 3.109 1.00 0.26 H new ATOM 0 HD1 TRP A 48 24.845 -13.442 5.331 1.00 0.36 H new ATOM 0 HE1 TRP A 48 23.174 -11.895 6.402 1.00 0.36 H new ATOM 0 HE3 TRP A 48 20.543 -15.488 3.678 1.00 0.24 H new ATOM 0 HZ2 TRP A 48 20.383 -11.543 6.571 1.00 0.31 H new ATOM 0 HZ3 TRP A 48 18.392 -14.531 4.313 1.00 0.30 H new ATOM 0 HH2 TRP A 48 18.301 -12.553 5.760 1.00 0.31 H new ATOM 731 N THR A 49 21.210 -16.298 1.380 1.00 0.19 N ATOM 732 CA THR A 49 20.581 -15.853 0.103 1.00 0.22 C ATOM 733 C THR A 49 19.065 -15.818 0.306 1.00 0.24 C ATOM 734 O THR A 49 18.620 -15.535 1.398 1.00 0.32 O ATOM 735 CB THR A 49 20.950 -16.833 -1.033 1.00 0.27 C ATOM 736 OG1 THR A 49 22.339 -17.120 -0.909 1.00 0.32 O ATOM 737 CG2 THR A 49 20.924 -16.025 -2.336 1.00 0.32 C ATOM 0 H THR A 49 20.665 -16.984 1.902 1.00 0.19 H new ATOM 0 HA THR A 49 20.941 -14.862 -0.173 1.00 0.22 H new ATOM 0 HB THR A 49 20.296 -17.705 -1.008 1.00 0.27 H new ATOM 0 HG1 THR A 49 22.609 -17.743 -1.616 1.00 0.32 H new ATOM 0 HG21 THR A 49 21.179 -16.675 -3.173 1.00 0.32 H new ATOM 0 HG22 THR A 49 19.927 -15.612 -2.488 1.00 0.32 H new ATOM 0 HG23 THR A 49 21.648 -15.212 -2.275 1.00 0.32 H new ATOM 745 N TYR A 50 18.308 -16.099 -0.729 1.00 0.26 N ATOM 746 CA TYR A 50 16.823 -16.090 -0.631 1.00 0.31 C ATOM 747 C TYR A 50 16.136 -17.443 -0.857 1.00 0.31 C ATOM 748 O TYR A 50 16.737 -18.410 -1.282 1.00 0.37 O ATOM 749 CB TYR A 50 16.369 -14.997 -1.633 1.00 0.37 C ATOM 750 CG TYR A 50 15.553 -15.445 -2.856 1.00 0.39 C ATOM 751 CD1 TYR A 50 16.094 -16.269 -3.826 1.00 0.58 C ATOM 752 CD2 TYR A 50 14.256 -14.993 -3.006 1.00 0.57 C ATOM 753 CE1 TYR A 50 15.346 -16.628 -4.931 1.00 0.71 C ATOM 754 CE2 TYR A 50 13.510 -15.352 -4.108 1.00 0.72 C ATOM 755 CZ TYR A 50 14.050 -16.170 -5.078 1.00 0.73 C ATOM 756 OH TYR A 50 13.293 -16.510 -6.183 1.00 0.94 O ATOM 0 H TYR A 50 18.669 -16.338 -1.652 1.00 0.26 H new ATOM 0 HA TYR A 50 16.517 -15.872 0.392 1.00 0.31 H new ATOM 0 HB2 TYR A 50 15.777 -14.264 -1.085 1.00 0.37 H new ATOM 0 HB3 TYR A 50 17.259 -14.482 -1.994 1.00 0.37 H new ATOM 0 HD1 TYR A 50 17.105 -16.633 -3.719 1.00 0.58 H new ATOM 0 HD2 TYR A 50 13.823 -14.352 -2.252 1.00 0.57 H new ATOM 0 HE1 TYR A 50 15.777 -17.271 -5.685 1.00 0.71 H new ATOM 0 HE2 TYR A 50 12.498 -14.991 -4.212 1.00 0.72 H new ATOM 0 HH TYR A 50 12.407 -16.096 -6.113 1.00 0.94 H new ATOM 766 N ASP A 51 14.866 -17.422 -0.544 1.00 0.30 N ATOM 767 CA ASP A 51 13.956 -18.597 -0.661 1.00 0.29 C ATOM 768 C ASP A 51 12.776 -18.232 -1.556 1.00 0.26 C ATOM 769 O ASP A 51 12.200 -17.166 -1.448 1.00 0.33 O ATOM 770 CB ASP A 51 13.548 -18.958 0.782 1.00 0.35 C ATOM 771 CG ASP A 51 12.399 -19.968 0.823 1.00 0.45 C ATOM 772 OD1 ASP A 51 11.283 -19.508 0.653 1.00 0.45 O ATOM 773 OD2 ASP A 51 12.693 -21.135 1.016 1.00 0.66 O ATOM 0 H ASP A 51 14.400 -16.586 -0.192 1.00 0.30 H new ATOM 0 HA ASP A 51 14.423 -19.464 -1.128 1.00 0.29 H new ATOM 0 HB2 ASP A 51 14.409 -19.369 1.309 1.00 0.35 H new ATOM 0 HB3 ASP A 51 13.252 -18.052 1.311 1.00 0.35 H new ATOM 778 N ASP A 52 12.472 -19.167 -2.416 1.00 0.28 N ATOM 779 CA ASP A 52 11.350 -19.012 -3.385 1.00 0.27 C ATOM 780 C ASP A 52 10.322 -20.117 -3.150 1.00 0.27 C ATOM 781 O ASP A 52 9.614 -20.529 -4.049 1.00 0.50 O ATOM 782 CB ASP A 52 11.944 -19.080 -4.809 1.00 0.36 C ATOM 783 CG ASP A 52 12.716 -20.384 -5.126 1.00 0.50 C ATOM 784 OD1 ASP A 52 12.784 -21.266 -4.282 1.00 0.62 O ATOM 785 OD2 ASP A 52 13.212 -20.417 -6.240 1.00 0.70 O ATOM 0 H ASP A 52 12.969 -20.055 -2.488 1.00 0.28 H new ATOM 0 HA ASP A 52 10.841 -18.057 -3.256 1.00 0.27 H new ATOM 0 HB2 ASP A 52 11.135 -18.968 -5.531 1.00 0.36 H new ATOM 0 HB3 ASP A 52 12.616 -18.233 -4.949 1.00 0.36 H new ATOM 790 N ALA A 53 10.289 -20.552 -1.919 1.00 0.24 N ATOM 791 CA ALA A 53 9.333 -21.630 -1.510 1.00 0.29 C ATOM 792 C ALA A 53 8.131 -20.931 -0.861 1.00 0.32 C ATOM 793 O ALA A 53 6.997 -21.195 -1.208 1.00 0.46 O ATOM 794 CB ALA A 53 10.022 -22.564 -0.503 1.00 0.40 C ATOM 0 H ALA A 53 10.888 -20.205 -1.170 1.00 0.24 H new ATOM 0 HA ALA A 53 9.012 -22.230 -2.362 1.00 0.29 H new ATOM 0 HB1 ALA A 53 9.329 -23.350 -0.203 1.00 0.40 H new ATOM 0 HB2 ALA A 53 10.901 -23.012 -0.965 1.00 0.40 H new ATOM 0 HB3 ALA A 53 10.325 -21.993 0.375 1.00 0.40 H new ATOM 800 N THR A 54 8.432 -20.060 0.067 1.00 0.30 N ATOM 801 CA THR A 54 7.388 -19.281 0.801 1.00 0.35 C ATOM 802 C THR A 54 7.794 -17.796 0.684 1.00 0.35 C ATOM 803 O THR A 54 7.566 -17.004 1.577 1.00 0.42 O ATOM 804 CB THR A 54 7.377 -19.751 2.277 1.00 0.41 C ATOM 805 OG1 THR A 54 7.209 -21.163 2.222 1.00 0.49 O ATOM 806 CG2 THR A 54 6.105 -19.279 3.008 1.00 0.56 C ATOM 0 H THR A 54 9.388 -19.850 0.355 1.00 0.30 H new ATOM 0 HA THR A 54 6.386 -19.425 0.396 1.00 0.35 H new ATOM 0 HB THR A 54 8.275 -19.384 2.773 1.00 0.41 H new ATOM 0 HG1 THR A 54 7.195 -21.526 3.132 1.00 0.49 H new ATOM 0 HG21 THR A 54 6.129 -19.626 4.041 1.00 0.56 H new ATOM 0 HG22 THR A 54 6.059 -18.190 2.992 1.00 0.56 H new ATOM 0 HG23 THR A 54 5.226 -19.687 2.509 1.00 0.56 H new ATOM 814 N LYS A 55 8.380 -17.485 -0.448 1.00 0.35 N ATOM 815 CA LYS A 55 8.874 -16.113 -0.799 1.00 0.37 C ATOM 816 C LYS A 55 9.434 -15.361 0.426 1.00 0.33 C ATOM 817 O LYS A 55 9.060 -14.258 0.776 1.00 0.42 O ATOM 818 CB LYS A 55 7.679 -15.348 -1.454 1.00 0.47 C ATOM 819 CG LYS A 55 8.165 -14.592 -2.716 1.00 0.68 C ATOM 820 CD LYS A 55 8.556 -15.623 -3.817 1.00 0.99 C ATOM 821 CE LYS A 55 9.191 -14.928 -5.031 1.00 1.39 C ATOM 822 NZ LYS A 55 9.615 -15.961 -6.021 1.00 1.77 N ATOM 0 H LYS A 55 8.545 -18.170 -1.186 1.00 0.35 H new ATOM 0 HA LYS A 55 9.710 -16.184 -1.495 1.00 0.37 H new ATOM 0 HB2 LYS A 55 6.889 -16.050 -1.722 1.00 0.47 H new ATOM 0 HB3 LYS A 55 7.251 -14.644 -0.740 1.00 0.47 H new ATOM 0 HG2 LYS A 55 7.379 -13.931 -3.083 1.00 0.68 H new ATOM 0 HG3 LYS A 55 9.021 -13.963 -2.470 1.00 0.68 H new ATOM 0 HD2 LYS A 55 9.255 -16.351 -3.405 1.00 0.99 H new ATOM 0 HD3 LYS A 55 7.671 -16.175 -4.133 1.00 0.99 H new ATOM 0 HE2 LYS A 55 8.477 -14.242 -5.487 1.00 1.39 H new ATOM 0 HE3 LYS A 55 10.049 -14.334 -4.717 1.00 1.39 H new ATOM 0 HZ1 LYS A 55 10.046 -15.496 -6.845 1.00 1.77 H new ATOM 0 HZ2 LYS A 55 10.309 -16.599 -5.582 1.00 1.77 H new ATOM 0 HZ3 LYS A 55 8.786 -16.509 -6.327 1.00 1.77 H new ATOM 836 N THR A 56 10.357 -16.062 1.027 1.00 0.25 N ATOM 837 CA THR A 56 11.090 -15.593 2.250 1.00 0.24 C ATOM 838 C THR A 56 12.557 -15.478 1.824 1.00 0.23 C ATOM 839 O THR A 56 12.898 -15.770 0.695 1.00 0.30 O ATOM 840 CB THR A 56 10.893 -16.663 3.362 1.00 0.26 C ATOM 841 OG1 THR A 56 9.488 -16.843 3.473 1.00 0.36 O ATOM 842 CG2 THR A 56 11.266 -16.175 4.772 1.00 0.28 C ATOM 0 H THR A 56 10.649 -16.985 0.707 1.00 0.25 H new ATOM 0 HA THR A 56 10.737 -14.639 2.640 1.00 0.24 H new ATOM 0 HB THR A 56 11.501 -17.525 3.087 1.00 0.26 H new ATOM 0 HG1 THR A 56 9.088 -16.854 2.578 1.00 0.36 H new ATOM 0 HG21 THR A 56 11.101 -16.978 5.490 1.00 0.28 H new ATOM 0 HG22 THR A 56 12.316 -15.882 4.790 1.00 0.28 H new ATOM 0 HG23 THR A 56 10.646 -15.318 5.036 1.00 0.28 H new ATOM 850 N PHE A 57 13.389 -15.044 2.728 1.00 0.23 N ATOM 851 CA PHE A 57 14.846 -14.900 2.423 1.00 0.22 C ATOM 852 C PHE A 57 15.424 -15.971 3.361 1.00 0.24 C ATOM 853 O PHE A 57 14.765 -16.325 4.321 1.00 0.36 O ATOM 854 CB PHE A 57 15.298 -13.486 2.793 1.00 0.27 C ATOM 855 CG PHE A 57 16.272 -12.921 1.734 1.00 0.27 C ATOM 856 CD1 PHE A 57 15.760 -12.472 0.528 1.00 0.36 C ATOM 857 CD2 PHE A 57 17.635 -12.852 1.930 1.00 0.47 C ATOM 858 CE1 PHE A 57 16.588 -11.969 -0.454 1.00 0.41 C ATOM 859 CE2 PHE A 57 18.471 -12.351 0.951 1.00 0.50 C ATOM 860 CZ PHE A 57 17.946 -11.909 -0.244 1.00 0.38 C ATOM 0 H PHE A 57 13.122 -14.779 3.676 1.00 0.23 H new ATOM 0 HA PHE A 57 15.144 -15.029 1.383 1.00 0.22 H new ATOM 0 HB2 PHE A 57 14.429 -12.833 2.878 1.00 0.27 H new ATOM 0 HB3 PHE A 57 15.784 -13.499 3.769 1.00 0.27 H new ATOM 0 HD1 PHE A 57 14.695 -12.516 0.354 1.00 0.36 H new ATOM 0 HD2 PHE A 57 18.056 -13.195 2.864 1.00 0.47 H new ATOM 0 HE1 PHE A 57 16.170 -11.622 -1.388 1.00 0.41 H new ATOM 0 HE2 PHE A 57 19.536 -12.306 1.122 1.00 0.50 H new ATOM 0 HZ PHE A 57 18.597 -11.518 -1.011 1.00 0.38 H new ATOM 870 N THR A 58 16.606 -16.476 3.124 1.00 0.23 N ATOM 871 CA THR A 58 17.113 -17.529 4.069 1.00 0.23 C ATOM 872 C THR A 58 18.610 -17.548 4.358 1.00 0.18 C ATOM 873 O THR A 58 19.428 -17.423 3.468 1.00 0.22 O ATOM 874 CB THR A 58 16.674 -18.903 3.506 1.00 0.30 C ATOM 875 OG1 THR A 58 17.054 -19.854 4.492 1.00 0.48 O ATOM 876 CG2 THR A 58 17.440 -19.319 2.231 1.00 0.42 C ATOM 0 H THR A 58 17.224 -16.223 2.353 1.00 0.23 H new ATOM 0 HA THR A 58 16.677 -17.288 5.039 1.00 0.23 H new ATOM 0 HB THR A 58 15.611 -18.851 3.271 1.00 0.30 H new ATOM 0 HG1 THR A 58 16.800 -20.753 4.195 1.00 0.48 H new ATOM 0 HG21 THR A 58 17.081 -20.291 1.892 1.00 0.42 H new ATOM 0 HG22 THR A 58 17.274 -18.578 1.449 1.00 0.42 H new ATOM 0 HG23 THR A 58 18.506 -19.382 2.451 1.00 0.42 H new ATOM 884 N VAL A 59 18.889 -17.727 5.624 1.00 0.20 N ATOM 885 CA VAL A 59 20.299 -17.780 6.111 1.00 0.20 C ATOM 886 C VAL A 59 20.544 -19.073 6.904 1.00 0.24 C ATOM 887 O VAL A 59 19.725 -19.493 7.699 1.00 0.30 O ATOM 888 CB VAL A 59 20.525 -16.520 6.980 1.00 0.23 C ATOM 889 CG1 VAL A 59 19.823 -16.626 8.297 1.00 0.33 C ATOM 890 CG2 VAL A 59 22.003 -16.248 7.282 1.00 0.31 C ATOM 0 H VAL A 59 18.185 -17.841 6.353 1.00 0.20 H new ATOM 0 HA VAL A 59 21.005 -17.789 5.281 1.00 0.20 H new ATOM 0 HB VAL A 59 20.122 -15.702 6.384 1.00 0.23 H new ATOM 0 HG11 VAL A 59 20.005 -15.723 8.880 1.00 0.33 H new ATOM 0 HG12 VAL A 59 18.752 -16.741 8.130 1.00 0.33 H new ATOM 0 HG13 VAL A 59 20.200 -17.491 8.842 1.00 0.33 H new ATOM 0 HG21 VAL A 59 22.090 -15.351 7.895 1.00 0.31 H new ATOM 0 HG22 VAL A 59 22.427 -17.097 7.819 1.00 0.31 H new ATOM 0 HG23 VAL A 59 22.545 -16.103 6.347 1.00 0.31 H new ATOM 900 N THR A 60 21.677 -19.657 6.636 1.00 0.29 N ATOM 901 CA THR A 60 22.100 -20.926 7.317 1.00 0.36 C ATOM 902 C THR A 60 23.607 -20.822 7.560 1.00 0.41 C ATOM 903 O THR A 60 24.275 -20.059 6.891 1.00 0.50 O ATOM 904 CB THR A 60 21.779 -22.148 6.406 1.00 0.46 C ATOM 905 OG1 THR A 60 20.362 -22.186 6.295 1.00 0.59 O ATOM 906 CG2 THR A 60 22.133 -23.497 7.070 1.00 0.61 C ATOM 0 H THR A 60 22.350 -19.303 5.956 1.00 0.29 H new ATOM 0 HA THR A 60 21.568 -21.064 8.258 1.00 0.36 H new ATOM 0 HB THR A 60 22.336 -22.033 5.476 1.00 0.46 H new ATOM 0 HG1 THR A 60 20.098 -22.940 5.727 1.00 0.59 H new ATOM 0 HG21 THR A 60 21.888 -24.313 6.390 1.00 0.61 H new ATOM 0 HG22 THR A 60 23.199 -23.522 7.298 1.00 0.61 H new ATOM 0 HG23 THR A 60 21.562 -23.610 7.992 1.00 0.61 H new ATOM 914 N GLU A 61 24.095 -21.592 8.498 1.00 0.46 N ATOM 915 CA GLU A 61 25.550 -21.587 8.836 1.00 0.58 C ATOM 916 C GLU A 61 26.159 -22.945 8.451 1.00 0.78 C ATOM 917 O GLU A 61 27.100 -22.913 7.676 1.00 1.04 O ATOM 918 CB GLU A 61 25.689 -21.332 10.348 1.00 0.54 C ATOM 919 CG GLU A 61 25.045 -19.972 10.705 1.00 0.56 C ATOM 920 CD GLU A 61 25.047 -19.781 12.232 1.00 0.55 C ATOM 921 OE1 GLU A 61 24.339 -20.545 12.873 1.00 0.76 O ATOM 922 OE2 GLU A 61 25.756 -18.888 12.669 1.00 0.69 O ATOM 923 OXT GLU A 61 25.651 -23.938 8.948 1.00 0.88 O ATOM 0 H GLU A 61 23.535 -22.237 9.055 1.00 0.46 H new ATOM 0 HA GLU A 61 26.078 -20.806 8.289 1.00 0.58 H new ATOM 0 HB2 GLU A 61 25.206 -22.133 10.908 1.00 0.54 H new ATOM 0 HB3 GLU A 61 26.741 -21.334 10.632 1.00 0.54 H new ATOM 0 HG2 GLU A 61 25.595 -19.162 10.227 1.00 0.56 H new ATOM 0 HG3 GLU A 61 24.024 -19.931 10.325 1.00 0.56 H new TER 930 GLU A 61