USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 593 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 25 SER OG : rot 180:sc= 0.831 USER MOD Set 1.2: A 28 LYS NZ :NH3+ 158:sc= 2.25 (180deg=-0.27) USER MOD Set 2.1: A 17 SER OG : rot 180:sc= 0.386 USER MOD Set 2.2: A 21 LYS NZ :NH3+ -154:sc= 1.71 (180deg=1.07) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 1.73 (180deg=0.983!) USER MOD Single : A 13 MET CE :methyl 171:sc= -0.245 (180deg=-0.428) USER MOD Single : A 14 THR OG1 : rot -35:sc= 0.895 USER MOD Single : A 20 HIS : no HD1:sc= -0.776 X(o=-0.78,f=-0.95) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -73:sc= 1.21 USER MOD Single : A 29 HIS : no HE2:sc= 0.936 K(o=0.94,f=-5.3!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 50:sc= -1.11 USER MOD Single : A 36 SER OG : rot 41:sc= 1.23 USER MOD Single : A 41 THR OG1 : rot 150:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.128 X(o=0.13,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -159:sc= 0.703 (180deg=-1.84!) USER MOD Single : A 45 HIS : no HD1:sc= -2.05! K(o=-2!,f=-3.5) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4.7!) USER MOD Single : A 61 THR OG1 : rot 80:sc= 1.19 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -3:sc= 0.672 USER MOD Single : A 73 LYS NZ :NH3+ -174:sc= 0.862 (180deg=0.573) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.273 -12.101 -8.132 1.00 4.64 N ATOM 2 CA MET A 1 -14.680 -11.667 -8.125 1.00 3.71 C ATOM 3 C MET A 1 -14.850 -10.535 -7.108 1.00 3.34 C ATOM 4 O MET A 1 -15.559 -10.670 -6.113 1.00 4.46 O ATOM 5 CB MET A 1 -15.644 -12.835 -7.866 1.00 4.69 C ATOM 6 CG MET A 1 -15.685 -13.825 -9.036 1.00 5.25 C ATOM 7 SD MET A 1 -16.962 -15.098 -8.880 1.00 6.54 S ATOM 8 CE MET A 1 -16.745 -15.956 -10.455 1.00 7.30 C ATOM 0 H1 MET A 1 -13.104 -12.719 -8.951 1.00 4.64 H new ATOM 0 H2 MET A 1 -12.653 -11.268 -8.193 1.00 4.64 H new ATOM 0 H3 MET A 1 -13.066 -12.623 -7.257 1.00 4.64 H new ATOM 0 HA MET A 1 -14.939 -11.290 -9.114 1.00 3.71 H new ATOM 0 HB2 MET A 1 -15.341 -13.359 -6.960 1.00 4.69 H new ATOM 0 HB3 MET A 1 -16.646 -12.444 -7.688 1.00 4.69 H new ATOM 0 HG2 MET A 1 -15.849 -13.272 -9.961 1.00 5.25 H new ATOM 0 HG3 MET A 1 -14.712 -14.309 -9.123 1.00 5.25 H new ATOM 0 HE1 MET A 1 -17.459 -16.776 -10.524 1.00 7.30 H new ATOM 0 HE2 MET A 1 -16.913 -15.258 -11.276 1.00 7.30 H new ATOM 0 HE3 MET A 1 -15.731 -16.352 -10.517 1.00 7.30 H new ATOM 20 N GLY A 2 -14.180 -9.417 -7.375 1.00 2.77 N ATOM 21 CA GLY A 2 -13.955 -8.351 -6.417 1.00 3.54 C ATOM 22 C GLY A 2 -12.834 -7.473 -6.965 1.00 2.69 C ATOM 23 O GLY A 2 -13.026 -6.268 -7.104 1.00 3.52 O ATOM 0 H GLY A 2 -13.770 -9.228 -8.289 1.00 2.77 H new ATOM 0 HA2 GLY A 2 -14.864 -7.767 -6.272 1.00 3.54 H new ATOM 0 HA3 GLY A 2 -13.681 -8.760 -5.445 1.00 3.54 H new ATOM 27 N ASP A 3 -11.710 -8.112 -7.320 1.00 2.21 N ATOM 28 CA ASP A 3 -10.710 -7.646 -8.291 1.00 1.73 C ATOM 29 C ASP A 3 -10.532 -6.117 -8.268 1.00 1.44 C ATOM 30 O ASP A 3 -11.034 -5.424 -9.155 1.00 2.38 O ATOM 31 CB ASP A 3 -11.117 -8.109 -9.708 1.00 2.81 C ATOM 32 CG ASP A 3 -11.413 -9.597 -9.827 1.00 4.68 C ATOM 33 OD1 ASP A 3 -12.527 -9.988 -9.408 1.00 6.21 O ATOM 34 OD2 ASP A 3 -10.555 -10.330 -10.355 1.00 5.29 O ATOM 0 H ASP A 3 -11.461 -9.015 -6.916 1.00 2.21 H new ATOM 0 HA ASP A 3 -9.751 -8.082 -8.011 1.00 1.73 H new ATOM 0 HB2 ASP A 3 -12.000 -7.550 -10.019 1.00 2.81 H new ATOM 0 HB3 ASP A 3 -10.317 -7.854 -10.403 1.00 2.81 H new ATOM 39 N GLY A 4 -9.853 -5.567 -7.256 1.00 1.31 N ATOM 40 CA GLY A 4 -10.005 -4.162 -6.896 1.00 1.56 C ATOM 41 C GLY A 4 -8.676 -3.420 -6.846 1.00 1.41 C ATOM 42 O GLY A 4 -7.608 -4.027 -6.903 1.00 1.81 O ATOM 0 H GLY A 4 -9.192 -6.079 -6.673 1.00 1.31 H new ATOM 0 HA2 GLY A 4 -10.661 -3.675 -7.618 1.00 1.56 H new ATOM 0 HA3 GLY A 4 -10.493 -4.091 -5.924 1.00 1.56 H new ATOM 46 N VAL A 5 -8.753 -2.094 -6.702 1.00 1.17 N ATOM 47 CA VAL A 5 -7.626 -1.240 -6.363 1.00 1.07 C ATOM 48 C VAL A 5 -8.017 -0.448 -5.120 1.00 1.04 C ATOM 49 O VAL A 5 -8.995 0.296 -5.159 1.00 1.29 O ATOM 50 CB VAL A 5 -7.254 -0.312 -7.534 1.00 1.38 C ATOM 51 CG1 VAL A 5 -6.015 0.519 -7.170 1.00 2.89 C ATOM 52 CG2 VAL A 5 -6.973 -1.109 -8.816 1.00 2.88 C ATOM 0 H VAL A 5 -9.625 -1.578 -6.822 1.00 1.17 H new ATOM 0 HA VAL A 5 -6.739 -1.841 -6.163 1.00 1.07 H new ATOM 0 HB VAL A 5 -8.103 0.347 -7.718 1.00 1.38 H new ATOM 0 HG11 VAL A 5 -5.758 1.173 -8.003 1.00 2.89 H new ATOM 0 HG12 VAL A 5 -6.228 1.122 -6.287 1.00 2.89 H new ATOM 0 HG13 VAL A 5 -5.178 -0.148 -6.961 1.00 2.89 H new ATOM 0 HG21 VAL A 5 -6.714 -0.422 -9.622 1.00 2.88 H new ATOM 0 HG22 VAL A 5 -6.144 -1.795 -8.643 1.00 2.88 H new ATOM 0 HG23 VAL A 5 -7.862 -1.676 -9.094 1.00 2.88 H new ATOM 62 N LEU A 6 -7.269 -0.601 -4.027 1.00 1.07 N ATOM 63 CA LEU A 6 -7.342 0.279 -2.879 1.00 1.18 C ATOM 64 C LEU A 6 -6.228 1.312 -3.051 1.00 0.92 C ATOM 65 O LEU A 6 -5.188 0.995 -3.627 1.00 0.83 O ATOM 66 CB LEU A 6 -7.163 -0.560 -1.606 1.00 1.53 C ATOM 67 CG LEU A 6 -7.156 0.272 -0.319 1.00 1.95 C ATOM 68 CD1 LEU A 6 -8.505 0.963 -0.079 1.00 2.33 C ATOM 69 CD2 LEU A 6 -6.836 -0.634 0.873 1.00 2.85 C ATOM 0 H LEU A 6 -6.588 -1.353 -3.921 1.00 1.07 H new ATOM 0 HA LEU A 6 -8.301 0.791 -2.798 1.00 1.18 H new ATOM 0 HB2 LEU A 6 -7.966 -1.295 -1.549 1.00 1.53 H new ATOM 0 HB3 LEU A 6 -6.227 -1.115 -1.675 1.00 1.53 H new ATOM 0 HG LEU A 6 -6.395 1.044 -0.426 1.00 1.95 H new ATOM 0 HD11 LEU A 6 -8.458 1.542 0.843 1.00 2.33 H new ATOM 0 HD12 LEU A 6 -8.727 1.627 -0.914 1.00 2.33 H new ATOM 0 HD13 LEU A 6 -9.289 0.211 0.005 1.00 2.33 H new ATOM 0 HD21 LEU A 6 -6.831 -0.043 1.789 1.00 2.85 H new ATOM 0 HD22 LEU A 6 -7.592 -1.415 0.950 1.00 2.85 H new ATOM 0 HD23 LEU A 6 -5.856 -1.090 0.730 1.00 2.85 H new ATOM 81 N GLU A 7 -6.437 2.534 -2.558 1.00 1.03 N ATOM 82 CA GLU A 7 -5.447 3.595 -2.579 1.00 0.90 C ATOM 83 C GLU A 7 -5.454 4.307 -1.224 1.00 0.76 C ATOM 84 O GLU A 7 -6.512 4.743 -0.756 1.00 1.12 O ATOM 85 CB GLU A 7 -5.758 4.569 -3.721 1.00 1.16 C ATOM 86 CG GLU A 7 -4.988 4.309 -5.021 1.00 1.15 C ATOM 87 CD GLU A 7 -5.033 5.534 -5.923 1.00 1.33 C ATOM 88 OE1 GLU A 7 -5.959 6.360 -5.759 1.00 2.01 O ATOM 89 OE2 GLU A 7 -4.022 5.805 -6.609 1.00 2.31 O ATOM 0 H GLU A 7 -7.318 2.812 -2.126 1.00 1.03 H new ATOM 0 HA GLU A 7 -4.453 3.182 -2.752 1.00 0.90 H new ATOM 0 HB2 GLU A 7 -6.826 4.526 -3.934 1.00 1.16 H new ATOM 0 HB3 GLU A 7 -5.540 5.582 -3.384 1.00 1.16 H new ATOM 0 HG2 GLU A 7 -3.953 4.056 -4.793 1.00 1.15 H new ATOM 0 HG3 GLU A 7 -5.418 3.452 -5.540 1.00 1.15 H new ATOM 96 N LEU A 8 -4.283 4.428 -0.593 1.00 0.46 N ATOM 97 CA LEU A 8 -4.134 5.059 0.709 1.00 0.60 C ATOM 98 C LEU A 8 -2.910 5.974 0.718 1.00 0.54 C ATOM 99 O LEU A 8 -1.955 5.760 -0.028 1.00 0.59 O ATOM 100 CB LEU A 8 -4.169 4.011 1.840 1.00 0.90 C ATOM 101 CG LEU A 8 -3.050 2.970 1.944 1.00 1.08 C ATOM 102 CD1 LEU A 8 -2.973 1.990 0.780 1.00 1.65 C ATOM 103 CD2 LEU A 8 -1.666 3.547 2.236 1.00 3.43 C ATOM 0 H LEU A 8 -3.405 4.084 -0.982 1.00 0.46 H new ATOM 0 HA LEU A 8 -4.987 5.708 0.906 1.00 0.60 H new ATOM 0 HB2 LEU A 8 -4.199 4.553 2.785 1.00 0.90 H new ATOM 0 HB3 LEU A 8 -5.111 3.469 1.753 1.00 0.90 H new ATOM 0 HG LEU A 8 -3.360 2.403 2.822 1.00 1.08 H new ATOM 0 HD11 LEU A 8 -2.151 1.294 0.945 1.00 1.65 H new ATOM 0 HD12 LEU A 8 -3.909 1.436 0.708 1.00 1.65 H new ATOM 0 HD13 LEU A 8 -2.804 2.538 -0.147 1.00 1.65 H new ATOM 0 HD21 LEU A 8 -0.939 2.737 2.292 1.00 3.43 H new ATOM 0 HD22 LEU A 8 -1.383 4.235 1.439 1.00 3.43 H new ATOM 0 HD23 LEU A 8 -1.688 4.082 3.186 1.00 3.43 H new ATOM 115 N VAL A 9 -2.964 7.022 1.537 1.00 0.54 N ATOM 116 CA VAL A 9 -1.894 7.989 1.717 1.00 0.58 C ATOM 117 C VAL A 9 -0.938 7.418 2.757 1.00 0.51 C ATOM 118 O VAL A 9 -1.378 7.071 3.854 1.00 0.72 O ATOM 119 CB VAL A 9 -2.471 9.359 2.114 1.00 0.77 C ATOM 120 CG1 VAL A 9 -1.381 10.348 2.550 1.00 1.14 C ATOM 121 CG2 VAL A 9 -3.192 9.965 0.904 1.00 1.04 C ATOM 0 H VAL A 9 -3.783 7.224 2.111 1.00 0.54 H new ATOM 0 HA VAL A 9 -1.345 8.159 0.791 1.00 0.58 H new ATOM 0 HB VAL A 9 -3.147 9.195 2.953 1.00 0.77 H new ATOM 0 HG11 VAL A 9 -1.840 11.299 2.820 1.00 1.14 H new ATOM 0 HG12 VAL A 9 -0.847 9.945 3.411 1.00 1.14 H new ATOM 0 HG13 VAL A 9 -0.681 10.503 1.729 1.00 1.14 H new ATOM 0 HG21 VAL A 9 -3.605 10.937 1.175 1.00 1.04 H new ATOM 0 HG22 VAL A 9 -2.485 10.087 0.083 1.00 1.04 H new ATOM 0 HG23 VAL A 9 -3.999 9.302 0.592 1.00 1.04 H new ATOM 131 N VAL A 10 0.340 7.305 2.382 1.00 0.53 N ATOM 132 CA VAL A 10 1.437 6.761 3.166 1.00 0.51 C ATOM 133 C VAL A 10 2.388 7.900 3.517 1.00 0.53 C ATOM 134 O VAL A 10 3.168 8.328 2.667 1.00 0.86 O ATOM 135 CB VAL A 10 2.181 5.632 2.418 1.00 0.53 C ATOM 136 CG1 VAL A 10 1.924 4.290 3.102 1.00 1.26 C ATOM 137 CG2 VAL A 10 1.812 5.521 0.937 1.00 0.92 C ATOM 0 H VAL A 10 0.649 7.614 1.460 1.00 0.53 H new ATOM 0 HA VAL A 10 1.035 6.313 4.075 1.00 0.51 H new ATOM 0 HB VAL A 10 3.238 5.893 2.461 1.00 0.53 H new ATOM 0 HG11 VAL A 10 2.453 3.502 2.567 1.00 1.26 H new ATOM 0 HG12 VAL A 10 2.281 4.332 4.131 1.00 1.26 H new ATOM 0 HG13 VAL A 10 0.855 4.078 3.097 1.00 1.26 H new ATOM 0 HG21 VAL A 10 2.375 4.706 0.482 1.00 0.92 H new ATOM 0 HG22 VAL A 10 0.745 5.322 0.842 1.00 0.92 H new ATOM 0 HG23 VAL A 10 2.053 6.456 0.431 1.00 0.92 H new ATOM 147 N ARG A 11 2.336 8.391 4.758 1.00 0.58 N ATOM 148 CA ARG A 11 3.290 9.399 5.215 1.00 0.70 C ATOM 149 C ARG A 11 4.531 8.699 5.762 1.00 0.69 C ATOM 150 O ARG A 11 4.429 7.594 6.299 1.00 0.87 O ATOM 151 CB ARG A 11 2.682 10.322 6.278 1.00 1.04 C ATOM 152 CG ARG A 11 1.334 10.886 5.823 1.00 1.10 C ATOM 153 CD ARG A 11 0.707 11.750 6.925 1.00 1.74 C ATOM 154 NE ARG A 11 -0.741 11.887 6.716 1.00 2.43 N ATOM 155 CZ ARG A 11 -1.582 10.840 6.750 1.00 3.44 C ATOM 156 NH1 ARG A 11 -1.281 9.732 7.431 1.00 3.76 N ATOM 157 NH2 ARG A 11 -2.711 10.877 6.038 1.00 5.14 N ATOM 0 H ARG A 11 1.649 8.109 5.457 1.00 0.58 H new ATOM 0 HA ARG A 11 3.561 10.027 4.366 1.00 0.70 H new ATOM 0 HB2 ARG A 11 2.552 9.771 7.209 1.00 1.04 H new ATOM 0 HB3 ARG A 11 3.369 11.142 6.486 1.00 1.04 H new ATOM 0 HG2 ARG A 11 1.470 11.482 4.920 1.00 1.10 H new ATOM 0 HG3 ARG A 11 0.660 10.068 5.567 1.00 1.10 H new ATOM 0 HD2 ARG A 11 0.898 11.300 7.899 1.00 1.74 H new ATOM 0 HD3 ARG A 11 1.173 12.735 6.931 1.00 1.74 H new ATOM 0 HE ARG A 11 -1.123 12.816 6.538 1.00 2.43 H new ATOM 0 HH11 ARG A 11 -0.398 9.669 7.938 1.00 3.76 H new ATOM 0 HH12 ARG A 11 -1.934 8.948 7.444 1.00 3.76 H new ATOM 0 HH21 ARG A 11 -2.931 11.697 5.473 1.00 5.14 H new ATOM 0 HH22 ARG A 11 -3.354 10.085 6.060 1.00 5.14 H new ATOM 171 N GLY A 12 5.689 9.348 5.626 1.00 0.72 N ATOM 172 CA GLY A 12 6.969 8.859 6.115 1.00 0.74 C ATOM 173 C GLY A 12 7.874 8.487 4.944 1.00 0.66 C ATOM 174 O GLY A 12 9.007 8.955 4.865 1.00 0.77 O ATOM 0 H GLY A 12 5.759 10.252 5.159 1.00 0.72 H new ATOM 0 HA2 GLY A 12 7.449 9.623 6.726 1.00 0.74 H new ATOM 0 HA3 GLY A 12 6.814 7.990 6.755 1.00 0.74 H new ATOM 178 N MET A 13 7.375 7.656 4.024 1.00 0.73 N ATOM 179 CA MET A 13 8.142 7.258 2.854 1.00 0.73 C ATOM 180 C MET A 13 8.426 8.484 1.985 1.00 0.78 C ATOM 181 O MET A 13 7.539 9.313 1.792 1.00 1.07 O ATOM 182 CB MET A 13 7.414 6.131 2.108 1.00 1.09 C ATOM 183 CG MET A 13 6.095 6.534 1.443 1.00 0.76 C ATOM 184 SD MET A 13 6.241 7.077 -0.278 1.00 1.24 S ATOM 185 CE MET A 13 4.487 7.142 -0.664 1.00 1.79 C ATOM 0 H MET A 13 6.441 7.249 4.073 1.00 0.73 H new ATOM 0 HA MET A 13 9.110 6.853 3.150 1.00 0.73 H new ATOM 0 HB2 MET A 13 8.081 5.733 1.343 1.00 1.09 H new ATOM 0 HB3 MET A 13 7.216 5.321 2.810 1.00 1.09 H new ATOM 0 HG2 MET A 13 5.411 5.686 1.484 1.00 0.76 H new ATOM 0 HG3 MET A 13 5.643 7.337 2.025 1.00 0.76 H new ATOM 0 HE1 MET A 13 4.346 7.611 -1.638 1.00 1.79 H new ATOM 0 HE2 MET A 13 4.082 6.130 -0.686 1.00 1.79 H new ATOM 0 HE3 MET A 13 3.968 7.724 0.097 1.00 1.79 H new ATOM 195 N THR A 14 9.665 8.636 1.508 1.00 0.77 N ATOM 196 CA THR A 14 10.077 9.877 0.862 1.00 0.98 C ATOM 197 C THR A 14 11.240 9.708 -0.123 1.00 0.76 C ATOM 198 O THR A 14 11.782 10.719 -0.573 1.00 0.88 O ATOM 199 CB THR A 14 10.366 10.939 1.943 1.00 1.41 C ATOM 200 OG1 THR A 14 10.629 12.200 1.359 1.00 2.17 O ATOM 201 CG2 THR A 14 11.543 10.548 2.844 1.00 1.67 C ATOM 0 H THR A 14 10.391 7.921 1.558 1.00 0.77 H new ATOM 0 HA THR A 14 9.251 10.217 0.238 1.00 0.98 H new ATOM 0 HB THR A 14 9.469 11.000 2.559 1.00 1.41 H new ATOM 0 HG1 THR A 14 11.109 12.075 0.514 1.00 2.17 H new ATOM 0 HG21 THR A 14 11.706 11.328 3.588 1.00 1.67 H new ATOM 0 HG22 THR A 14 11.319 9.607 3.347 1.00 1.67 H new ATOM 0 HG23 THR A 14 12.442 10.431 2.238 1.00 1.67 H new ATOM 209 N CYS A 15 11.623 8.481 -0.496 1.00 0.74 N ATOM 210 CA CYS A 15 12.583 8.258 -1.568 1.00 0.74 C ATOM 211 C CYS A 15 12.457 6.821 -2.060 1.00 0.64 C ATOM 212 O CYS A 15 11.769 6.007 -1.435 1.00 0.55 O ATOM 213 CB CYS A 15 14.016 8.570 -1.107 1.00 0.88 C ATOM 214 SG CYS A 15 14.770 7.335 -0.018 1.00 1.43 S ATOM 0 H CYS A 15 11.276 7.625 -0.063 1.00 0.74 H new ATOM 0 HA CYS A 15 12.363 8.936 -2.392 1.00 0.74 H new ATOM 0 HB2 CYS A 15 14.646 8.684 -1.989 1.00 0.88 H new ATOM 0 HB3 CYS A 15 14.012 9.530 -0.591 1.00 0.88 H new ATOM 219 N ALA A 16 13.157 6.520 -3.159 1.00 0.69 N ATOM 220 CA ALA A 16 13.232 5.202 -3.777 1.00 0.68 C ATOM 221 C ALA A 16 13.432 4.102 -2.734 1.00 0.58 C ATOM 222 O ALA A 16 12.773 3.065 -2.790 1.00 0.59 O ATOM 223 CB ALA A 16 14.370 5.187 -4.801 1.00 0.78 C ATOM 0 H ALA A 16 13.707 7.219 -3.658 1.00 0.69 H new ATOM 0 HA ALA A 16 12.286 5.001 -4.280 1.00 0.68 H new ATOM 0 HB1 ALA A 16 14.429 4.203 -5.265 1.00 0.78 H new ATOM 0 HB2 ALA A 16 14.180 5.939 -5.567 1.00 0.78 H new ATOM 0 HB3 ALA A 16 15.313 5.409 -4.301 1.00 0.78 H new ATOM 229 N SER A 17 14.337 4.342 -1.775 1.00 0.57 N ATOM 230 CA SER A 17 14.595 3.413 -0.687 1.00 0.60 C ATOM 231 C SER A 17 13.289 3.052 0.014 1.00 0.54 C ATOM 232 O SER A 17 13.049 1.884 0.301 1.00 0.66 O ATOM 233 CB SER A 17 15.617 3.981 0.312 1.00 0.75 C ATOM 234 OG SER A 17 16.040 3.002 1.255 1.00 2.05 O ATOM 0 H SER A 17 14.906 5.188 -1.739 1.00 0.57 H new ATOM 0 HA SER A 17 15.028 2.507 -1.110 1.00 0.60 H new ATOM 0 HB2 SER A 17 16.483 4.360 -0.231 1.00 0.75 H new ATOM 0 HB3 SER A 17 15.177 4.827 0.840 1.00 0.75 H new ATOM 0 HG SER A 17 16.690 3.400 1.871 1.00 2.05 H new ATOM 240 N CYS A 18 12.469 4.038 0.371 1.00 0.47 N ATOM 241 CA CYS A 18 11.233 3.760 1.076 1.00 0.54 C ATOM 242 C CYS A 18 10.243 3.083 0.129 1.00 0.54 C ATOM 243 O CYS A 18 9.743 1.998 0.426 1.00 0.70 O ATOM 244 CB CYS A 18 10.678 5.052 1.668 1.00 0.60 C ATOM 245 SG CYS A 18 11.825 5.952 2.744 1.00 0.79 S ATOM 0 H CYS A 18 12.641 5.026 0.183 1.00 0.47 H new ATOM 0 HA CYS A 18 11.416 3.074 1.903 1.00 0.54 H new ATOM 0 HB2 CYS A 18 10.377 5.709 0.852 1.00 0.60 H new ATOM 0 HB3 CYS A 18 9.778 4.817 2.236 1.00 0.60 H new ATOM 250 N VAL A 19 10.005 3.723 -1.021 1.00 0.54 N ATOM 251 CA VAL A 19 9.094 3.283 -2.067 1.00 0.59 C ATOM 252 C VAL A 19 9.238 1.782 -2.254 1.00 0.57 C ATOM 253 O VAL A 19 8.293 1.021 -2.041 1.00 0.63 O ATOM 254 CB VAL A 19 9.420 4.057 -3.360 1.00 0.65 C ATOM 255 CG1 VAL A 19 8.758 3.501 -4.627 1.00 0.62 C ATOM 256 CG2 VAL A 19 9.037 5.533 -3.211 1.00 0.73 C ATOM 0 H VAL A 19 10.467 4.602 -1.252 1.00 0.54 H new ATOM 0 HA VAL A 19 8.058 3.487 -1.797 1.00 0.59 H new ATOM 0 HB VAL A 19 10.495 3.938 -3.492 1.00 0.65 H new ATOM 0 HG11 VAL A 19 9.045 4.109 -5.485 1.00 0.62 H new ATOM 0 HG12 VAL A 19 9.083 2.473 -4.786 1.00 0.62 H new ATOM 0 HG13 VAL A 19 7.674 3.525 -4.512 1.00 0.62 H new ATOM 0 HG21 VAL A 19 9.274 6.065 -4.132 1.00 0.73 H new ATOM 0 HG22 VAL A 19 7.969 5.613 -3.010 1.00 0.73 H new ATOM 0 HG23 VAL A 19 9.596 5.972 -2.385 1.00 0.73 H new ATOM 266 N HIS A 20 10.449 1.349 -2.611 1.00 0.55 N ATOM 267 CA HIS A 20 10.655 -0.022 -2.997 1.00 0.57 C ATOM 268 C HIS A 20 10.488 -1.000 -1.828 1.00 0.51 C ATOM 269 O HIS A 20 10.191 -2.169 -2.067 1.00 0.52 O ATOM 270 CB HIS A 20 11.932 -0.139 -3.838 1.00 0.65 C ATOM 271 CG HIS A 20 13.286 0.045 -3.195 1.00 0.65 C ATOM 272 ND1 HIS A 20 14.454 0.271 -3.890 1.00 0.83 N ATOM 273 CD2 HIS A 20 13.627 -0.097 -1.877 1.00 0.65 C ATOM 274 CE1 HIS A 20 15.466 0.263 -3.007 1.00 0.92 C ATOM 275 NE2 HIS A 20 15.013 0.034 -1.766 1.00 0.78 N ATOM 0 H HIS A 20 11.286 1.932 -2.636 1.00 0.55 H new ATOM 0 HA HIS A 20 9.855 -0.350 -3.661 1.00 0.57 H new ATOM 0 HB2 HIS A 20 11.925 -1.126 -4.300 1.00 0.65 H new ATOM 0 HB3 HIS A 20 11.856 0.590 -4.644 1.00 0.65 H new ATOM 0 HD2 HIS A 20 12.942 -0.279 -1.062 1.00 0.65 H new ATOM 0 HE1 HIS A 20 16.504 0.420 -3.262 1.00 0.92 H new ATOM 0 HE2 HIS A 20 15.569 -0.031 -0.913 1.00 0.78 H new ATOM 283 N LYS A 21 10.611 -0.548 -0.569 1.00 0.52 N ATOM 284 CA LYS A 21 10.325 -1.409 0.571 1.00 0.57 C ATOM 285 C LYS A 21 8.824 -1.649 0.613 1.00 0.51 C ATOM 286 O LYS A 21 8.398 -2.794 0.757 1.00 0.57 O ATOM 287 CB LYS A 21 10.816 -0.822 1.905 1.00 0.79 C ATOM 288 CG LYS A 21 12.342 -0.868 2.029 1.00 1.27 C ATOM 289 CD LYS A 21 12.793 -0.296 3.385 1.00 1.85 C ATOM 290 CE LYS A 21 14.236 0.229 3.336 1.00 3.17 C ATOM 291 NZ LYS A 21 14.311 1.499 2.587 1.00 4.40 N ATOM 0 H LYS A 21 10.903 0.398 -0.325 1.00 0.52 H new ATOM 0 HA LYS A 21 10.867 -2.346 0.442 1.00 0.57 H new ATOM 0 HB2 LYS A 21 10.477 0.210 1.993 1.00 0.79 H new ATOM 0 HB3 LYS A 21 10.369 -1.376 2.731 1.00 0.79 H new ATOM 0 HG2 LYS A 21 12.690 -1.896 1.928 1.00 1.27 H new ATOM 0 HG3 LYS A 21 12.795 -0.297 1.219 1.00 1.27 H new ATOM 0 HD2 LYS A 21 12.123 0.512 3.679 1.00 1.85 H new ATOM 0 HD3 LYS A 21 12.714 -1.069 4.149 1.00 1.85 H new ATOM 0 HE2 LYS A 21 14.607 0.378 4.350 1.00 3.17 H new ATOM 0 HE3 LYS A 21 14.881 -0.513 2.866 1.00 3.17 H new ATOM 0 HZ1 LYS A 21 15.265 1.611 2.188 1.00 4.40 H new ATOM 0 HZ2 LYS A 21 13.613 1.489 1.817 1.00 4.40 H new ATOM 0 HZ3 LYS A 21 14.108 2.293 3.228 1.00 4.40 H new ATOM 305 N ILE A 22 8.023 -0.588 0.474 1.00 0.46 N ATOM 306 CA ILE A 22 6.577 -0.754 0.439 1.00 0.45 C ATOM 307 C ILE A 22 6.213 -1.681 -0.721 1.00 0.44 C ATOM 308 O ILE A 22 5.616 -2.733 -0.505 1.00 0.48 O ATOM 309 CB ILE A 22 5.826 0.590 0.377 1.00 0.53 C ATOM 310 CG1 ILE A 22 6.377 1.562 1.427 1.00 0.57 C ATOM 311 CG2 ILE A 22 4.333 0.318 0.606 1.00 0.88 C ATOM 312 CD1 ILE A 22 5.488 2.778 1.684 1.00 0.69 C ATOM 0 H ILE A 22 8.348 0.375 0.386 1.00 0.46 H new ATOM 0 HA ILE A 22 6.254 -1.212 1.374 1.00 0.45 H new ATOM 0 HB ILE A 22 5.967 1.054 -0.599 1.00 0.53 H new ATOM 0 HG12 ILE A 22 6.518 1.024 2.365 1.00 0.57 H new ATOM 0 HG13 ILE A 22 7.360 1.906 1.106 1.00 0.57 H new ATOM 0 HG21 ILE A 22 3.782 1.257 0.566 1.00 0.88 H new ATOM 0 HG22 ILE A 22 3.962 -0.353 -0.169 1.00 0.88 H new ATOM 0 HG23 ILE A 22 4.193 -0.144 1.583 1.00 0.88 H new ATOM 0 HD11 ILE A 22 5.950 3.414 2.439 1.00 0.69 H new ATOM 0 HD12 ILE A 22 5.367 3.342 0.759 1.00 0.69 H new ATOM 0 HD13 ILE A 22 4.512 2.447 2.037 1.00 0.69 H new ATOM 324 N GLU A 23 6.606 -1.314 -1.943 1.00 0.47 N ATOM 325 CA GLU A 23 6.255 -2.072 -3.135 1.00 0.50 C ATOM 326 C GLU A 23 6.680 -3.535 -2.995 1.00 0.48 C ATOM 327 O GLU A 23 5.842 -4.433 -3.092 1.00 0.51 O ATOM 328 CB GLU A 23 6.852 -1.406 -4.383 1.00 0.64 C ATOM 329 CG GLU A 23 6.292 0.012 -4.558 1.00 1.42 C ATOM 330 CD GLU A 23 6.843 0.732 -5.782 1.00 1.65 C ATOM 331 OE1 GLU A 23 7.945 0.350 -6.226 1.00 2.21 O ATOM 332 OE2 GLU A 23 6.144 1.663 -6.244 1.00 2.81 O ATOM 0 H GLU A 23 7.173 -0.487 -2.128 1.00 0.47 H new ATOM 0 HA GLU A 23 5.171 -2.070 -3.252 1.00 0.50 H new ATOM 0 HB2 GLU A 23 7.938 -1.366 -4.296 1.00 0.64 H new ATOM 0 HB3 GLU A 23 6.624 -2.004 -5.265 1.00 0.64 H new ATOM 0 HG2 GLU A 23 5.206 -0.041 -4.635 1.00 1.42 H new ATOM 0 HG3 GLU A 23 6.520 0.598 -3.667 1.00 1.42 H new ATOM 339 N SER A 24 7.968 -3.786 -2.739 1.00 0.51 N ATOM 340 CA SER A 24 8.492 -5.140 -2.606 1.00 0.55 C ATOM 341 C SER A 24 7.768 -5.893 -1.488 1.00 0.56 C ATOM 342 O SER A 24 7.304 -7.015 -1.678 1.00 0.71 O ATOM 343 CB SER A 24 10.007 -5.099 -2.364 1.00 0.64 C ATOM 344 OG SER A 24 10.551 -6.403 -2.349 1.00 1.53 O ATOM 0 H SER A 24 8.670 -3.056 -2.619 1.00 0.51 H new ATOM 0 HA SER A 24 8.312 -5.680 -3.535 1.00 0.55 H new ATOM 0 HB2 SER A 24 10.488 -4.509 -3.144 1.00 0.64 H new ATOM 0 HB3 SER A 24 10.215 -4.603 -1.416 1.00 0.64 H new ATOM 0 HG SER A 24 11.517 -6.353 -2.195 1.00 1.53 H new ATOM 350 N SER A 25 7.664 -5.285 -0.303 1.00 0.49 N ATOM 351 CA SER A 25 7.115 -5.983 0.846 1.00 0.55 C ATOM 352 C SER A 25 5.614 -6.241 0.680 1.00 0.53 C ATOM 353 O SER A 25 5.097 -7.210 1.238 1.00 0.70 O ATOM 354 CB SER A 25 7.452 -5.244 2.140 1.00 0.69 C ATOM 355 OG SER A 25 7.350 -6.133 3.244 1.00 1.02 O ATOM 0 H SER A 25 7.951 -4.323 -0.122 1.00 0.49 H new ATOM 0 HA SER A 25 7.585 -6.964 0.911 1.00 0.55 H new ATOM 0 HB2 SER A 25 8.461 -4.835 2.083 1.00 0.69 H new ATOM 0 HB3 SER A 25 6.773 -4.402 2.276 1.00 0.69 H new ATOM 0 HG SER A 25 7.569 -5.654 4.071 1.00 1.02 H new ATOM 361 N LEU A 26 4.910 -5.410 -0.085 1.00 0.45 N ATOM 362 CA LEU A 26 3.546 -5.722 -0.481 1.00 0.50 C ATOM 363 C LEU A 26 3.526 -6.878 -1.481 1.00 0.53 C ATOM 364 O LEU A 26 2.811 -7.855 -1.256 1.00 0.62 O ATOM 365 CB LEU A 26 2.838 -4.478 -1.020 1.00 0.53 C ATOM 366 CG LEU A 26 2.528 -3.460 0.089 1.00 0.66 C ATOM 367 CD1 LEU A 26 1.997 -2.195 -0.579 1.00 2.25 C ATOM 368 CD2 LEU A 26 1.485 -3.934 1.106 1.00 1.73 C ATOM 0 H LEU A 26 5.262 -4.521 -0.440 1.00 0.45 H new ATOM 0 HA LEU A 26 2.992 -6.048 0.399 1.00 0.50 H new ATOM 0 HB2 LEU A 26 3.462 -4.007 -1.779 1.00 0.53 H new ATOM 0 HB3 LEU A 26 1.910 -4.774 -1.509 1.00 0.53 H new ATOM 0 HG LEU A 26 3.453 -3.300 0.643 1.00 0.66 H new ATOM 0 HD11 LEU A 26 1.767 -1.450 0.183 1.00 2.25 H new ATOM 0 HD12 LEU A 26 2.752 -1.798 -1.258 1.00 2.25 H new ATOM 0 HD13 LEU A 26 1.093 -2.432 -1.140 1.00 2.25 H new ATOM 0 HD21 LEU A 26 1.326 -3.156 1.853 1.00 1.73 H new ATOM 0 HD22 LEU A 26 0.546 -4.143 0.594 1.00 1.73 H new ATOM 0 HD23 LEU A 26 1.840 -4.841 1.596 1.00 1.73 H new ATOM 380 N THR A 27 4.303 -6.780 -2.570 1.00 0.54 N ATOM 381 CA THR A 27 4.355 -7.779 -3.641 1.00 0.70 C ATOM 382 C THR A 27 5.029 -9.083 -3.190 1.00 0.98 C ATOM 383 O THR A 27 6.087 -9.479 -3.674 1.00 1.73 O ATOM 384 CB THR A 27 4.935 -7.190 -4.939 1.00 0.95 C ATOM 385 OG1 THR A 27 6.200 -6.598 -4.744 1.00 1.59 O ATOM 386 CG2 THR A 27 3.992 -6.132 -5.525 1.00 1.45 C ATOM 0 H THR A 27 4.924 -5.987 -2.731 1.00 0.54 H new ATOM 0 HA THR A 27 3.330 -8.062 -3.879 1.00 0.70 H new ATOM 0 HB THR A 27 5.044 -8.027 -5.629 1.00 0.95 H new ATOM 0 HG1 THR A 27 6.094 -5.749 -4.266 1.00 1.59 H new ATOM 0 HG21 THR A 27 4.422 -5.729 -6.442 1.00 1.45 H new ATOM 0 HG22 THR A 27 3.027 -6.587 -5.746 1.00 1.45 H new ATOM 0 HG23 THR A 27 3.856 -5.326 -4.804 1.00 1.45 H new ATOM 394 N LYS A 28 4.342 -9.774 -2.283 1.00 0.98 N ATOM 395 CA LYS A 28 4.663 -11.073 -1.718 1.00 1.16 C ATOM 396 C LYS A 28 3.468 -11.591 -0.904 1.00 0.88 C ATOM 397 O LYS A 28 3.197 -12.790 -0.926 1.00 0.97 O ATOM 398 CB LYS A 28 5.963 -11.044 -0.890 1.00 1.56 C ATOM 399 CG LYS A 28 5.921 -10.084 0.306 1.00 1.69 C ATOM 400 CD LYS A 28 7.254 -10.089 1.076 1.00 2.43 C ATOM 401 CE LYS A 28 7.073 -9.902 2.594 1.00 2.99 C ATOM 402 NZ LYS A 28 6.438 -8.618 2.966 1.00 3.73 N ATOM 0 H LYS A 28 3.474 -9.404 -1.895 1.00 0.98 H new ATOM 0 HA LYS A 28 4.851 -11.768 -2.536 1.00 1.16 H new ATOM 0 HB2 LYS A 28 6.173 -12.050 -0.528 1.00 1.56 H new ATOM 0 HB3 LYS A 28 6.790 -10.761 -1.541 1.00 1.56 H new ATOM 0 HG2 LYS A 28 5.704 -9.074 -0.043 1.00 1.69 H new ATOM 0 HG3 LYS A 28 5.111 -10.370 0.976 1.00 1.69 H new ATOM 0 HD2 LYS A 28 7.771 -11.031 0.891 1.00 2.43 H new ATOM 0 HD3 LYS A 28 7.893 -9.294 0.691 1.00 2.43 H new ATOM 0 HE2 LYS A 28 6.468 -10.722 2.982 1.00 2.99 H new ATOM 0 HE3 LYS A 28 8.048 -9.968 3.078 1.00 2.99 H new ATOM 0 HZ1 LYS A 28 6.013 -8.702 3.912 1.00 3.73 H new ATOM 0 HZ2 LYS A 28 7.156 -7.865 2.974 1.00 3.73 H new ATOM 0 HZ3 LYS A 28 5.698 -8.383 2.274 1.00 3.73 H new ATOM 416 N HIS A 29 2.752 -10.720 -0.175 1.00 0.75 N ATOM 417 CA HIS A 29 1.606 -11.172 0.601 1.00 0.88 C ATOM 418 C HIS A 29 0.463 -11.575 -0.331 1.00 0.82 C ATOM 419 O HIS A 29 0.169 -10.877 -1.303 1.00 1.20 O ATOM 420 CB HIS A 29 1.184 -10.134 1.655 1.00 1.26 C ATOM 421 CG HIS A 29 0.444 -8.913 1.160 1.00 0.71 C ATOM 422 ND1 HIS A 29 -0.848 -8.889 0.683 1.00 1.51 N ATOM 423 CD2 HIS A 29 0.811 -7.614 1.386 1.00 0.70 C ATOM 424 CE1 HIS A 29 -1.226 -7.604 0.585 1.00 2.17 C ATOM 425 NE2 HIS A 29 -0.249 -6.788 1.006 1.00 1.67 N ATOM 0 H HIS A 29 2.947 -9.721 -0.112 1.00 0.75 H new ATOM 0 HA HIS A 29 1.895 -12.060 1.164 1.00 0.88 H new ATOM 0 HB2 HIS A 29 0.555 -10.635 2.391 1.00 1.26 H new ATOM 0 HB3 HIS A 29 2.080 -9.798 2.177 1.00 1.26 H new ATOM 0 HD1 HIS A 29 -1.416 -9.702 0.446 1.00 1.51 H new ATOM 0 HD2 HIS A 29 1.757 -7.284 1.789 1.00 0.70 H new ATOM 0 HE1 HIS A 29 -2.186 -7.273 0.217 1.00 2.17 H new ATOM 433 N ARG A 30 -0.202 -12.693 -0.019 1.00 1.00 N ATOM 434 CA ARG A 30 -1.412 -13.095 -0.719 1.00 1.32 C ATOM 435 C ARG A 30 -2.396 -11.926 -0.756 1.00 1.54 C ATOM 436 O ARG A 30 -2.478 -11.149 0.193 1.00 2.88 O ATOM 437 CB ARG A 30 -2.071 -14.289 -0.015 1.00 1.80 C ATOM 438 CG ARG A 30 -1.323 -15.616 -0.206 1.00 2.30 C ATOM 439 CD ARG A 30 -1.310 -16.048 -1.681 1.00 2.49 C ATOM 440 NE ARG A 30 -1.136 -17.504 -1.827 1.00 3.41 N ATOM 441 CZ ARG A 30 -2.121 -18.414 -1.717 1.00 4.15 C ATOM 442 NH1 ARG A 30 -3.351 -18.024 -1.368 1.00 4.17 N ATOM 443 NH2 ARG A 30 -1.869 -19.706 -1.954 1.00 5.49 N ATOM 0 H ARG A 30 0.086 -13.335 0.720 1.00 1.00 H new ATOM 0 HA ARG A 30 -1.144 -13.387 -1.735 1.00 1.32 H new ATOM 0 HB2 ARG A 30 -2.143 -14.075 1.051 1.00 1.80 H new ATOM 0 HB3 ARG A 30 -3.089 -14.401 -0.387 1.00 1.80 H new ATOM 0 HG2 ARG A 30 -0.299 -15.513 0.153 1.00 2.30 H new ATOM 0 HG3 ARG A 30 -1.795 -16.391 0.397 1.00 2.30 H new ATOM 0 HD2 ARG A 30 -2.243 -15.745 -2.156 1.00 2.49 H new ATOM 0 HD3 ARG A 30 -0.504 -15.532 -2.203 1.00 2.49 H new ATOM 0 HE ARG A 30 -0.197 -17.848 -2.027 1.00 3.41 H new ATOM 0 HH11 ARG A 30 -3.541 -17.039 -1.186 1.00 4.17 H new ATOM 0 HH12 ARG A 30 -4.099 -18.712 -1.284 1.00 4.17 H new ATOM 0 HH21 ARG A 30 -0.929 -20.002 -2.218 1.00 5.49 H new ATOM 0 HH22 ARG A 30 -2.616 -20.395 -1.870 1.00 5.49 H new ATOM 457 N GLY A 31 -3.130 -11.795 -1.857 1.00 0.76 N ATOM 458 CA GLY A 31 -4.181 -10.806 -1.973 1.00 0.92 C ATOM 459 C GLY A 31 -3.700 -9.476 -2.532 1.00 0.80 C ATOM 460 O GLY A 31 -4.530 -8.728 -3.033 1.00 0.99 O ATOM 0 H GLY A 31 -3.009 -12.373 -2.689 1.00 0.76 H new ATOM 0 HA2 GLY A 31 -4.969 -11.198 -2.616 1.00 0.92 H new ATOM 0 HA3 GLY A 31 -4.624 -10.640 -0.991 1.00 0.92 H new ATOM 464 N ILE A 32 -2.397 -9.160 -2.480 1.00 0.70 N ATOM 465 CA ILE A 32 -1.875 -8.130 -3.366 1.00 0.59 C ATOM 466 C ILE A 32 -1.710 -8.797 -4.729 1.00 0.66 C ATOM 467 O ILE A 32 -1.161 -9.895 -4.829 1.00 0.93 O ATOM 468 CB ILE A 32 -0.559 -7.515 -2.832 1.00 0.59 C ATOM 469 CG1 ILE A 32 -0.768 -6.065 -2.353 1.00 0.87 C ATOM 470 CG2 ILE A 32 0.579 -7.540 -3.862 1.00 0.89 C ATOM 471 CD1 ILE A 32 -0.648 -5.020 -3.464 1.00 1.53 C ATOM 0 H ILE A 32 -1.714 -9.589 -1.856 1.00 0.70 H new ATOM 0 HA ILE A 32 -2.556 -7.282 -3.435 1.00 0.59 H new ATOM 0 HB ILE A 32 -0.267 -8.144 -1.991 1.00 0.59 H new ATOM 0 HG12 ILE A 32 -1.754 -5.983 -1.896 1.00 0.87 H new ATOM 0 HG13 ILE A 32 -0.037 -5.841 -1.576 1.00 0.87 H new ATOM 0 HG21 ILE A 32 1.474 -7.095 -3.427 1.00 0.89 H new ATOM 0 HG22 ILE A 32 0.789 -8.571 -4.148 1.00 0.89 H new ATOM 0 HG23 ILE A 32 0.284 -6.972 -4.744 1.00 0.89 H new ATOM 0 HD11 ILE A 32 -0.808 -4.026 -3.047 1.00 1.53 H new ATOM 0 HD12 ILE A 32 0.347 -5.072 -3.907 1.00 1.53 H new ATOM 0 HD13 ILE A 32 -1.397 -5.217 -4.231 1.00 1.53 H new ATOM 483 N LEU A 33 -2.166 -8.109 -5.768 1.00 0.64 N ATOM 484 CA LEU A 33 -1.898 -8.440 -7.151 1.00 0.74 C ATOM 485 C LEU A 33 -0.733 -7.573 -7.630 1.00 0.84 C ATOM 486 O LEU A 33 0.217 -8.094 -8.211 1.00 1.09 O ATOM 487 CB LEU A 33 -3.160 -8.220 -7.994 1.00 0.86 C ATOM 488 CG LEU A 33 -4.365 -9.059 -7.544 1.00 1.41 C ATOM 489 CD1 LEU A 33 -5.623 -8.584 -8.278 1.00 2.05 C ATOM 490 CD2 LEU A 33 -4.139 -10.548 -7.827 1.00 2.30 C ATOM 0 H LEU A 33 -2.751 -7.280 -5.662 1.00 0.64 H new ATOM 0 HA LEU A 33 -1.623 -9.490 -7.255 1.00 0.74 H new ATOM 0 HB2 LEU A 33 -3.430 -7.165 -7.956 1.00 0.86 H new ATOM 0 HB3 LEU A 33 -2.935 -8.454 -9.034 1.00 0.86 H new ATOM 0 HG LEU A 33 -4.490 -8.929 -6.469 1.00 1.41 H new ATOM 0 HD11 LEU A 33 -6.478 -9.180 -7.958 1.00 2.05 H new ATOM 0 HD12 LEU A 33 -5.805 -7.535 -8.046 1.00 2.05 H new ATOM 0 HD13 LEU A 33 -5.482 -8.699 -9.353 1.00 2.05 H new ATOM 0 HD21 LEU A 33 -5.009 -11.117 -7.498 1.00 2.30 H new ATOM 0 HD22 LEU A 33 -3.992 -10.697 -8.897 1.00 2.30 H new ATOM 0 HD23 LEU A 33 -3.256 -10.891 -7.288 1.00 2.30 H new ATOM 502 N TYR A 34 -0.777 -6.255 -7.381 1.00 0.73 N ATOM 503 CA TYR A 34 0.311 -5.359 -7.741 1.00 0.84 C ATOM 504 C TYR A 34 0.267 -4.115 -6.852 1.00 0.68 C ATOM 505 O TYR A 34 -0.801 -3.742 -6.378 1.00 0.76 O ATOM 506 CB TYR A 34 0.202 -5.005 -9.229 1.00 1.11 C ATOM 507 CG TYR A 34 1.222 -3.993 -9.702 1.00 1.20 C ATOM 508 CD1 TYR A 34 2.571 -4.367 -9.826 1.00 2.37 C ATOM 509 CD2 TYR A 34 0.839 -2.659 -9.919 1.00 1.55 C ATOM 510 CE1 TYR A 34 3.536 -3.408 -10.178 1.00 2.53 C ATOM 511 CE2 TYR A 34 1.800 -1.705 -10.297 1.00 1.69 C ATOM 512 CZ TYR A 34 3.150 -2.075 -10.406 1.00 1.64 C ATOM 513 OH TYR A 34 4.075 -1.139 -10.759 1.00 1.90 O ATOM 0 H TYR A 34 -1.565 -5.792 -6.928 1.00 0.73 H new ATOM 0 HA TYR A 34 1.273 -5.845 -7.580 1.00 0.84 H new ATOM 0 HB2 TYR A 34 0.311 -5.916 -9.817 1.00 1.11 H new ATOM 0 HB3 TYR A 34 -0.797 -4.617 -9.426 1.00 1.11 H new ATOM 0 HD1 TYR A 34 2.866 -5.391 -9.651 1.00 2.37 H new ATOM 0 HD2 TYR A 34 -0.193 -2.366 -9.796 1.00 1.55 H new ATOM 0 HE1 TYR A 34 4.573 -3.694 -10.273 1.00 2.53 H new ATOM 0 HE2 TYR A 34 1.500 -0.688 -10.503 1.00 1.69 H new ATOM 0 HH TYR A 34 3.634 -0.272 -10.878 1.00 1.90 H new ATOM 523 N CYS A 35 1.410 -3.462 -6.639 1.00 0.63 N ATOM 524 CA CYS A 35 1.508 -2.179 -5.956 1.00 0.55 C ATOM 525 C CYS A 35 2.402 -1.281 -6.798 1.00 0.74 C ATOM 526 O CYS A 35 3.373 -1.774 -7.373 1.00 1.09 O ATOM 527 CB CYS A 35 2.155 -2.360 -4.575 1.00 0.57 C ATOM 528 SG CYS A 35 2.500 -0.751 -3.838 1.00 2.20 S ATOM 0 H CYS A 35 2.314 -3.823 -6.946 1.00 0.63 H new ATOM 0 HA CYS A 35 0.515 -1.748 -5.826 1.00 0.55 H new ATOM 0 HB2 CYS A 35 1.492 -2.931 -3.926 1.00 0.57 H new ATOM 0 HB3 CYS A 35 3.079 -2.931 -4.669 1.00 0.57 H new ATOM 0 HG CYS A 35 1.435 -0.008 -3.899 1.00 2.20 H new ATOM 534 N SER A 36 2.121 0.021 -6.830 1.00 0.71 N ATOM 535 CA SER A 36 3.198 0.991 -6.844 1.00 1.02 C ATOM 536 C SER A 36 2.830 2.100 -5.861 1.00 0.71 C ATOM 537 O SER A 36 1.638 2.311 -5.600 1.00 0.83 O ATOM 538 CB SER A 36 3.488 1.499 -8.258 1.00 1.70 C ATOM 539 OG SER A 36 4.567 2.413 -8.253 1.00 2.80 O ATOM 0 H SER A 36 1.180 0.415 -6.846 1.00 0.71 H new ATOM 0 HA SER A 36 4.134 0.533 -6.525 1.00 1.02 H new ATOM 0 HB2 SER A 36 3.722 0.658 -8.911 1.00 1.70 H new ATOM 0 HB3 SER A 36 2.599 1.981 -8.665 1.00 1.70 H new ATOM 0 HG SER A 36 5.268 2.089 -7.650 1.00 2.80 H new ATOM 545 N VAL A 37 3.837 2.775 -5.299 1.00 0.67 N ATOM 546 CA VAL A 37 3.656 3.920 -4.423 1.00 0.55 C ATOM 547 C VAL A 37 4.455 5.108 -4.955 1.00 0.67 C ATOM 548 O VAL A 37 5.548 4.927 -5.487 1.00 0.93 O ATOM 549 CB VAL A 37 4.013 3.560 -2.966 1.00 0.81 C ATOM 550 CG1 VAL A 37 3.512 2.172 -2.564 1.00 1.89 C ATOM 551 CG2 VAL A 37 5.516 3.502 -2.708 1.00 1.33 C ATOM 0 H VAL A 37 4.816 2.531 -5.447 1.00 0.67 H new ATOM 0 HA VAL A 37 2.606 4.211 -4.415 1.00 0.55 H new ATOM 0 HB VAL A 37 3.537 4.356 -2.393 1.00 0.81 H new ATOM 0 HG11 VAL A 37 3.790 1.970 -1.530 1.00 1.89 H new ATOM 0 HG12 VAL A 37 2.427 2.134 -2.662 1.00 1.89 H new ATOM 0 HG13 VAL A 37 3.961 1.421 -3.214 1.00 1.89 H new ATOM 0 HG21 VAL A 37 5.696 3.244 -1.664 1.00 1.33 H new ATOM 0 HG22 VAL A 37 5.967 2.747 -3.352 1.00 1.33 H new ATOM 0 HG23 VAL A 37 5.960 4.474 -2.923 1.00 1.33 H new ATOM 561 N ALA A 38 3.917 6.325 -4.820 1.00 0.63 N ATOM 562 CA ALA A 38 4.592 7.537 -5.271 1.00 0.72 C ATOM 563 C ALA A 38 4.588 8.619 -4.199 1.00 0.77 C ATOM 564 O ALA A 38 3.548 8.979 -3.643 1.00 0.79 O ATOM 565 CB ALA A 38 3.974 8.071 -6.557 1.00 0.69 C ATOM 0 H ALA A 38 3.005 6.493 -4.396 1.00 0.63 H new ATOM 0 HA ALA A 38 5.628 7.263 -5.472 1.00 0.72 H new ATOM 0 HB1 ALA A 38 4.500 8.974 -6.866 1.00 0.69 H new ATOM 0 HB2 ALA A 38 4.056 7.318 -7.340 1.00 0.69 H new ATOM 0 HB3 ALA A 38 2.923 8.304 -6.386 1.00 0.69 H new ATOM 571 N LEU A 39 5.780 9.164 -3.955 1.00 0.87 N ATOM 572 CA LEU A 39 6.040 10.172 -2.933 1.00 0.96 C ATOM 573 C LEU A 39 5.463 11.530 -3.332 1.00 0.89 C ATOM 574 O LEU A 39 5.084 12.315 -2.472 1.00 0.92 O ATOM 575 CB LEU A 39 7.541 10.229 -2.614 1.00 1.20 C ATOM 576 CG LEU A 39 8.428 10.713 -3.776 1.00 1.30 C ATOM 577 CD1 LEU A 39 8.707 12.220 -3.686 1.00 2.33 C ATOM 578 CD2 LEU A 39 9.767 9.973 -3.733 1.00 1.54 C ATOM 0 H LEU A 39 6.615 8.907 -4.481 1.00 0.87 H new ATOM 0 HA LEU A 39 5.526 9.886 -2.015 1.00 0.96 H new ATOM 0 HB2 LEU A 39 7.692 10.889 -1.760 1.00 1.20 H new ATOM 0 HB3 LEU A 39 7.872 9.236 -2.311 1.00 1.20 H new ATOM 0 HG LEU A 39 7.897 10.510 -4.706 1.00 1.30 H new ATOM 0 HD11 LEU A 39 9.336 12.524 -4.523 1.00 2.33 H new ATOM 0 HD12 LEU A 39 7.765 12.767 -3.722 1.00 2.33 H new ATOM 0 HD13 LEU A 39 9.219 12.440 -2.749 1.00 2.33 H new ATOM 0 HD21 LEU A 39 10.397 10.313 -4.554 1.00 1.54 H new ATOM 0 HD22 LEU A 39 10.265 10.177 -2.785 1.00 1.54 H new ATOM 0 HD23 LEU A 39 9.594 8.901 -3.829 1.00 1.54 H new ATOM 590 N ALA A 40 5.368 11.799 -4.639 1.00 0.87 N ATOM 591 CA ALA A 40 4.826 13.051 -5.156 1.00 0.94 C ATOM 592 C ALA A 40 3.425 13.315 -4.600 1.00 0.83 C ATOM 593 O ALA A 40 3.113 14.431 -4.197 1.00 0.99 O ATOM 594 CB ALA A 40 4.811 13.008 -6.686 1.00 1.09 C ATOM 0 H ALA A 40 5.667 11.150 -5.366 1.00 0.87 H new ATOM 0 HA ALA A 40 5.464 13.873 -4.831 1.00 0.94 H new ATOM 0 HB1 ALA A 40 4.406 13.943 -7.072 1.00 1.09 H new ATOM 0 HB2 ALA A 40 5.827 12.872 -7.056 1.00 1.09 H new ATOM 0 HB3 ALA A 40 4.189 12.178 -7.021 1.00 1.09 H new ATOM 600 N THR A 41 2.583 12.276 -4.581 1.00 0.76 N ATOM 601 CA THR A 41 1.276 12.326 -3.943 1.00 0.91 C ATOM 602 C THR A 41 1.407 11.901 -2.475 1.00 0.80 C ATOM 603 O THR A 41 0.686 12.427 -1.629 1.00 1.31 O ATOM 604 CB THR A 41 0.246 11.523 -4.763 1.00 1.24 C ATOM 605 OG1 THR A 41 -0.928 11.270 -4.018 1.00 2.18 O ATOM 606 CG2 THR A 41 0.781 10.194 -5.303 1.00 2.25 C ATOM 0 H THR A 41 2.796 11.376 -5.011 1.00 0.76 H new ATOM 0 HA THR A 41 0.890 13.345 -3.927 1.00 0.91 H new ATOM 0 HB THR A 41 0.020 12.160 -5.618 1.00 1.24 H new ATOM 0 HG1 THR A 41 -1.695 11.216 -4.625 1.00 2.18 H new ATOM 0 HG21 THR A 41 -0.002 9.689 -5.868 1.00 2.25 H new ATOM 0 HG22 THR A 41 1.634 10.383 -5.955 1.00 2.25 H new ATOM 0 HG23 THR A 41 1.093 9.562 -4.471 1.00 2.25 H new ATOM 614 N ASN A 42 2.355 11.007 -2.168 1.00 0.77 N ATOM 615 CA ASN A 42 2.582 10.376 -0.868 1.00 0.82 C ATOM 616 C ASN A 42 1.565 9.256 -0.711 1.00 0.70 C ATOM 617 O ASN A 42 0.969 9.100 0.351 1.00 0.76 O ATOM 618 CB ASN A 42 2.550 11.334 0.341 1.00 1.16 C ATOM 619 CG ASN A 42 3.480 12.533 0.206 1.00 1.67 C ATOM 620 OD1 ASN A 42 4.604 12.518 0.696 1.00 1.59 O ATOM 621 ND2 ASN A 42 2.997 13.598 -0.425 1.00 3.54 N ATOM 0 H ASN A 42 3.025 10.687 -2.867 1.00 0.77 H new ATOM 0 HA ASN A 42 3.603 9.994 -0.866 1.00 0.82 H new ATOM 0 HB2 ASN A 42 1.530 11.692 0.481 1.00 1.16 H new ATOM 0 HB3 ASN A 42 2.819 10.778 1.239 1.00 1.16 H new ATOM 0 HD21 ASN A 42 3.566 14.440 -0.514 1.00 3.54 H new ATOM 0 HD22 ASN A 42 2.057 13.574 -0.820 1.00 3.54 H new ATOM 628 N LYS A 43 1.330 8.490 -1.782 1.00 0.64 N ATOM 629 CA LYS A 43 0.228 7.557 -1.848 1.00 0.61 C ATOM 630 C LYS A 43 0.718 6.220 -2.384 1.00 0.50 C ATOM 631 O LYS A 43 1.548 6.183 -3.292 1.00 0.63 O ATOM 632 CB LYS A 43 -0.869 8.171 -2.722 1.00 0.80 C ATOM 633 CG LYS A 43 -2.174 7.371 -2.695 1.00 2.25 C ATOM 634 CD LYS A 43 -2.757 7.241 -4.095 1.00 1.99 C ATOM 635 CE LYS A 43 -3.393 8.539 -4.616 1.00 1.81 C ATOM 636 NZ LYS A 43 -4.220 8.279 -5.815 1.00 1.82 N ATOM 0 H LYS A 43 1.907 8.509 -2.623 1.00 0.64 H new ATOM 0 HA LYS A 43 -0.187 7.368 -0.858 1.00 0.61 H new ATOM 0 HB2 LYS A 43 -1.066 9.189 -2.386 1.00 0.80 H new ATOM 0 HB3 LYS A 43 -0.512 8.238 -3.750 1.00 0.80 H new ATOM 0 HG2 LYS A 43 -1.990 6.380 -2.279 1.00 2.25 H new ATOM 0 HG3 LYS A 43 -2.894 7.863 -2.041 1.00 2.25 H new ATOM 0 HD2 LYS A 43 -1.969 6.931 -4.781 1.00 1.99 H new ATOM 0 HD3 LYS A 43 -3.509 6.452 -4.095 1.00 1.99 H new ATOM 0 HE2 LYS A 43 -4.008 8.986 -3.835 1.00 1.81 H new ATOM 0 HE3 LYS A 43 -2.612 9.260 -4.858 1.00 1.81 H new ATOM 0 HZ1 LYS A 43 -4.344 9.162 -6.350 1.00 1.82 H new ATOM 0 HZ2 LYS A 43 -3.748 7.574 -6.416 1.00 1.82 H new ATOM 0 HZ3 LYS A 43 -5.151 7.918 -5.523 1.00 1.82 H new ATOM 650 N ALA A 44 0.181 5.137 -1.820 1.00 0.45 N ATOM 651 CA ALA A 44 0.311 3.784 -2.326 1.00 0.45 C ATOM 652 C ALA A 44 -0.997 3.409 -3.001 1.00 0.45 C ATOM 653 O ALA A 44 -2.055 3.677 -2.425 1.00 0.59 O ATOM 654 CB ALA A 44 0.589 2.816 -1.172 1.00 0.51 C ATOM 0 H ALA A 44 -0.376 5.188 -0.967 1.00 0.45 H new ATOM 0 HA ALA A 44 1.138 3.726 -3.033 1.00 0.45 H new ATOM 0 HB1 ALA A 44 0.685 1.803 -1.562 1.00 0.51 H new ATOM 0 HB2 ALA A 44 1.515 3.102 -0.672 1.00 0.51 H new ATOM 0 HB3 ALA A 44 -0.235 2.854 -0.459 1.00 0.51 H new ATOM 660 N HIS A 45 -0.933 2.769 -4.174 1.00 0.48 N ATOM 661 CA HIS A 45 -2.056 2.001 -4.664 1.00 0.59 C ATOM 662 C HIS A 45 -1.738 0.534 -4.413 1.00 0.60 C ATOM 663 O HIS A 45 -0.575 0.135 -4.432 1.00 1.06 O ATOM 664 CB HIS A 45 -2.351 2.321 -6.134 1.00 0.79 C ATOM 665 CG HIS A 45 -1.454 1.645 -7.136 1.00 1.53 C ATOM 666 ND1 HIS A 45 -0.715 2.269 -8.113 1.00 2.47 N ATOM 667 CD2 HIS A 45 -1.417 0.301 -7.383 1.00 2.05 C ATOM 668 CE1 HIS A 45 -0.243 1.309 -8.928 1.00 3.55 C ATOM 669 NE2 HIS A 45 -0.644 0.093 -8.525 1.00 3.33 N ATOM 0 H HIS A 45 -0.119 2.774 -4.788 1.00 0.48 H new ATOM 0 HA HIS A 45 -2.974 2.260 -4.137 1.00 0.59 H new ATOM 0 HB2 HIS A 45 -3.382 2.042 -6.349 1.00 0.79 H new ATOM 0 HB3 HIS A 45 -2.277 3.399 -6.275 1.00 0.79 H new ATOM 0 HD2 HIS A 45 -1.902 -0.466 -6.796 1.00 2.05 H new ATOM 0 HE1 HIS A 45 0.377 1.492 -9.793 1.00 3.55 H new ATOM 0 HE2 HIS A 45 -0.427 -0.801 -8.965 1.00 3.33 H new ATOM 677 N ILE A 46 -2.778 -0.263 -4.202 1.00 0.53 N ATOM 678 CA ILE A 46 -2.711 -1.690 -3.976 1.00 0.51 C ATOM 679 C ILE A 46 -3.800 -2.294 -4.854 1.00 0.60 C ATOM 680 O ILE A 46 -4.982 -2.211 -4.528 1.00 0.88 O ATOM 681 CB ILE A 46 -2.880 -1.945 -2.467 1.00 0.55 C ATOM 682 CG1 ILE A 46 -1.544 -1.686 -1.739 1.00 0.64 C ATOM 683 CG2 ILE A 46 -3.429 -3.328 -2.109 1.00 0.85 C ATOM 684 CD1 ILE A 46 -1.599 -0.363 -0.985 1.00 1.18 C ATOM 0 H ILE A 46 -3.734 0.091 -4.184 1.00 0.53 H new ATOM 0 HA ILE A 46 -1.762 -2.153 -4.246 1.00 0.51 H new ATOM 0 HB ILE A 46 -3.641 -1.242 -2.128 1.00 0.55 H new ATOM 0 HG12 ILE A 46 -1.337 -2.500 -1.044 1.00 0.64 H new ATOM 0 HG13 ILE A 46 -0.727 -1.667 -2.460 1.00 0.64 H new ATOM 0 HG21 ILE A 46 -3.514 -3.417 -1.026 1.00 0.85 H new ATOM 0 HG22 ILE A 46 -4.412 -3.458 -2.562 1.00 0.85 H new ATOM 0 HG23 ILE A 46 -2.753 -4.096 -2.484 1.00 0.85 H new ATOM 0 HD11 ILE A 46 -0.650 -0.194 -0.477 1.00 1.18 H new ATOM 0 HD12 ILE A 46 -1.784 0.449 -1.688 1.00 1.18 H new ATOM 0 HD13 ILE A 46 -2.403 -0.396 -0.250 1.00 1.18 H new ATOM 696 N LYS A 47 -3.388 -2.845 -5.998 1.00 0.72 N ATOM 697 CA LYS A 47 -4.230 -3.638 -6.871 1.00 0.95 C ATOM 698 C LYS A 47 -4.248 -5.021 -6.256 1.00 0.97 C ATOM 699 O LYS A 47 -3.182 -5.563 -5.965 1.00 0.89 O ATOM 700 CB LYS A 47 -3.667 -3.686 -8.292 1.00 1.06 C ATOM 701 CG LYS A 47 -3.332 -2.283 -8.805 1.00 1.11 C ATOM 702 CD LYS A 47 -3.333 -2.294 -10.338 1.00 1.41 C ATOM 703 CE LYS A 47 -3.086 -0.885 -10.889 1.00 2.60 C ATOM 704 NZ LYS A 47 -3.113 -0.856 -12.366 1.00 3.57 N ATOM 0 H LYS A 47 -2.434 -2.744 -6.344 1.00 0.72 H new ATOM 0 HA LYS A 47 -5.230 -3.213 -6.956 1.00 0.95 H new ATOM 0 HB2 LYS A 47 -2.770 -4.306 -8.310 1.00 1.06 H new ATOM 0 HB3 LYS A 47 -4.392 -4.155 -8.957 1.00 1.06 H new ATOM 0 HG2 LYS A 47 -4.062 -1.563 -8.434 1.00 1.11 H new ATOM 0 HG3 LYS A 47 -2.357 -1.970 -8.432 1.00 1.11 H new ATOM 0 HD2 LYS A 47 -2.562 -2.973 -10.702 1.00 1.41 H new ATOM 0 HD3 LYS A 47 -4.288 -2.671 -10.704 1.00 1.41 H new ATOM 0 HE2 LYS A 47 -3.844 -0.205 -10.499 1.00 2.60 H new ATOM 0 HE3 LYS A 47 -2.120 -0.522 -10.537 1.00 2.60 H new ATOM 0 HZ1 LYS A 47 -2.942 0.115 -12.697 1.00 3.57 H new ATOM 0 HZ2 LYS A 47 -2.373 -1.485 -12.739 1.00 3.57 H new ATOM 0 HZ3 LYS A 47 -4.043 -1.178 -12.703 1.00 3.57 H new ATOM 718 N TYR A 48 -5.430 -5.541 -5.953 1.00 1.47 N ATOM 719 CA TYR A 48 -5.572 -6.509 -4.892 1.00 1.18 C ATOM 720 C TYR A 48 -6.907 -7.236 -5.003 1.00 1.03 C ATOM 721 O TYR A 48 -7.781 -6.841 -5.775 1.00 1.49 O ATOM 722 CB TYR A 48 -5.411 -5.773 -3.552 1.00 1.40 C ATOM 723 CG TYR A 48 -6.683 -5.369 -2.839 1.00 1.29 C ATOM 724 CD1 TYR A 48 -7.424 -4.253 -3.265 1.00 2.50 C ATOM 725 CD2 TYR A 48 -7.070 -6.068 -1.686 1.00 1.77 C ATOM 726 CE1 TYR A 48 -8.503 -3.797 -2.489 1.00 2.47 C ATOM 727 CE2 TYR A 48 -8.121 -5.591 -0.889 1.00 1.99 C ATOM 728 CZ TYR A 48 -8.806 -4.425 -1.268 1.00 1.52 C ATOM 729 OH TYR A 48 -9.795 -3.927 -0.474 1.00 1.74 O ATOM 0 H TYR A 48 -6.299 -5.304 -6.431 1.00 1.47 H new ATOM 0 HA TYR A 48 -4.803 -7.278 -4.965 1.00 1.18 H new ATOM 0 HB2 TYR A 48 -4.833 -6.410 -2.882 1.00 1.40 H new ATOM 0 HB3 TYR A 48 -4.819 -4.874 -3.727 1.00 1.40 H new ATOM 0 HD1 TYR A 48 -7.165 -3.749 -4.184 1.00 2.50 H new ATOM 0 HD2 TYR A 48 -6.556 -6.977 -1.411 1.00 1.77 H new ATOM 0 HE1 TYR A 48 -9.100 -2.964 -2.830 1.00 2.47 H new ATOM 0 HE2 TYR A 48 -8.402 -6.117 0.011 1.00 1.99 H new ATOM 0 HH TYR A 48 -9.877 -4.479 0.332 1.00 1.74 H new ATOM 739 N ASP A 49 -7.046 -8.280 -4.193 1.00 0.59 N ATOM 740 CA ASP A 49 -8.207 -9.141 -4.122 1.00 0.59 C ATOM 741 C ASP A 49 -9.043 -8.743 -2.893 1.00 0.68 C ATOM 742 O ASP A 49 -8.776 -9.252 -1.801 1.00 0.63 O ATOM 743 CB ASP A 49 -7.712 -10.591 -4.012 1.00 0.74 C ATOM 744 CG ASP A 49 -6.850 -11.025 -5.190 1.00 1.58 C ATOM 745 OD1 ASP A 49 -7.416 -11.155 -6.294 1.00 2.27 O ATOM 746 OD2 ASP A 49 -5.637 -11.228 -4.962 1.00 2.97 O ATOM 0 H ASP A 49 -6.314 -8.557 -3.539 1.00 0.59 H new ATOM 0 HA ASP A 49 -8.834 -9.044 -5.008 1.00 0.59 H new ATOM 0 HB2 ASP A 49 -7.140 -10.703 -3.091 1.00 0.74 H new ATOM 0 HB3 ASP A 49 -8.572 -11.256 -3.936 1.00 0.74 H new ATOM 751 N PRO A 50 -10.064 -7.870 -3.009 1.00 1.00 N ATOM 752 CA PRO A 50 -10.984 -7.547 -1.917 1.00 1.06 C ATOM 753 C PRO A 50 -11.963 -8.706 -1.667 1.00 1.22 C ATOM 754 O PRO A 50 -13.178 -8.520 -1.656 1.00 1.73 O ATOM 755 CB PRO A 50 -11.711 -6.277 -2.382 1.00 1.41 C ATOM 756 CG PRO A 50 -11.775 -6.475 -3.891 1.00 1.61 C ATOM 757 CD PRO A 50 -10.414 -7.101 -4.190 1.00 1.40 C ATOM 0 HA PRO A 50 -10.469 -7.389 -0.969 1.00 1.06 H new ATOM 0 HB2 PRO A 50 -12.704 -6.192 -1.940 1.00 1.41 H new ATOM 0 HB3 PRO A 50 -11.164 -5.373 -2.113 1.00 1.41 H new ATOM 0 HG2 PRO A 50 -12.597 -7.129 -4.182 1.00 1.61 H new ATOM 0 HG3 PRO A 50 -11.915 -5.532 -4.420 1.00 1.61 H new ATOM 0 HD2 PRO A 50 -10.463 -7.739 -5.072 1.00 1.40 H new ATOM 0 HD3 PRO A 50 -9.667 -6.334 -4.393 1.00 1.40 H new ATOM 765 N GLU A 51 -11.427 -9.910 -1.474 1.00 1.12 N ATOM 766 CA GLU A 51 -12.162 -11.163 -1.430 1.00 1.49 C ATOM 767 C GLU A 51 -11.313 -12.225 -0.711 1.00 1.65 C ATOM 768 O GLU A 51 -11.481 -13.423 -0.925 1.00 3.07 O ATOM 769 CB GLU A 51 -12.583 -11.543 -2.866 1.00 2.22 C ATOM 770 CG GLU A 51 -11.460 -11.422 -3.915 1.00 2.53 C ATOM 771 CD GLU A 51 -11.990 -11.575 -5.334 1.00 3.45 C ATOM 772 OE1 GLU A 51 -12.569 -12.643 -5.633 1.00 3.43 O ATOM 773 OE2 GLU A 51 -11.851 -10.628 -6.139 1.00 4.72 O ATOM 0 H GLU A 51 -10.424 -10.039 -1.339 1.00 1.12 H new ATOM 0 HA GLU A 51 -13.082 -11.076 -0.852 1.00 1.49 H new ATOM 0 HB2 GLU A 51 -12.951 -12.569 -2.864 1.00 2.22 H new ATOM 0 HB3 GLU A 51 -13.415 -10.906 -3.168 1.00 2.22 H new ATOM 0 HG2 GLU A 51 -10.970 -10.453 -3.813 1.00 2.53 H new ATOM 0 HG3 GLU A 51 -10.703 -12.183 -3.726 1.00 2.53 H new ATOM 780 N ILE A 52 -10.406 -11.769 0.164 1.00 1.07 N ATOM 781 CA ILE A 52 -9.468 -12.571 0.936 1.00 1.08 C ATOM 782 C ILE A 52 -8.863 -11.681 2.018 1.00 0.96 C ATOM 783 O ILE A 52 -8.854 -12.048 3.190 1.00 1.24 O ATOM 784 CB ILE A 52 -8.424 -13.242 0.017 1.00 1.43 C ATOM 785 CG1 ILE A 52 -7.381 -14.091 0.767 1.00 1.44 C ATOM 786 CG2 ILE A 52 -7.771 -12.308 -1.008 1.00 3.18 C ATOM 787 CD1 ILE A 52 -6.187 -13.322 1.341 1.00 1.98 C ATOM 0 H ILE A 52 -10.308 -10.772 0.357 1.00 1.07 H new ATOM 0 HA ILE A 52 -9.975 -13.400 1.429 1.00 1.08 H new ATOM 0 HB ILE A 52 -9.027 -13.937 -0.567 1.00 1.43 H new ATOM 0 HG12 ILE A 52 -7.882 -14.610 1.584 1.00 1.44 H new ATOM 0 HG13 ILE A 52 -7.005 -14.855 0.087 1.00 1.44 H new ATOM 0 HG21 ILE A 52 -7.053 -12.869 -1.606 1.00 3.18 H new ATOM 0 HG22 ILE A 52 -8.538 -11.890 -1.660 1.00 3.18 H new ATOM 0 HG23 ILE A 52 -7.256 -11.500 -0.488 1.00 3.18 H new ATOM 0 HD11 ILE A 52 -5.517 -14.016 1.847 1.00 1.98 H new ATOM 0 HD12 ILE A 52 -5.651 -12.825 0.532 1.00 1.98 H new ATOM 0 HD13 ILE A 52 -6.542 -12.577 2.052 1.00 1.98 H new ATOM 799 N ILE A 53 -8.362 -10.512 1.613 1.00 0.81 N ATOM 800 CA ILE A 53 -7.614 -9.595 2.460 1.00 0.78 C ATOM 801 C ILE A 53 -8.356 -8.262 2.549 1.00 0.69 C ATOM 802 O ILE A 53 -9.168 -7.957 1.673 1.00 0.78 O ATOM 803 CB ILE A 53 -6.200 -9.475 1.866 1.00 0.79 C ATOM 804 CG1 ILE A 53 -5.215 -9.001 2.930 1.00 1.12 C ATOM 805 CG2 ILE A 53 -6.164 -8.566 0.631 1.00 0.86 C ATOM 806 CD1 ILE A 53 -3.777 -9.302 2.521 1.00 1.01 C ATOM 0 H ILE A 53 -8.472 -10.172 0.658 1.00 0.81 H new ATOM 0 HA ILE A 53 -7.523 -9.956 3.485 1.00 0.78 H new ATOM 0 HB ILE A 53 -5.899 -10.468 1.531 1.00 0.79 H new ATOM 0 HG12 ILE A 53 -5.334 -7.929 3.089 1.00 1.12 H new ATOM 0 HG13 ILE A 53 -5.436 -9.490 3.879 1.00 1.12 H new ATOM 0 HG21 ILE A 53 -5.145 -8.513 0.248 1.00 0.86 H new ATOM 0 HG22 ILE A 53 -6.820 -8.972 -0.139 1.00 0.86 H new ATOM 0 HG23 ILE A 53 -6.501 -7.566 0.905 1.00 0.86 H new ATOM 0 HD11 ILE A 53 -3.097 -8.953 3.298 1.00 1.01 H new ATOM 0 HD12 ILE A 53 -3.654 -10.377 2.387 1.00 1.01 H new ATOM 0 HD13 ILE A 53 -3.551 -8.792 1.585 1.00 1.01 H new ATOM 818 N GLY A 54 -8.105 -7.475 3.599 1.00 0.62 N ATOM 819 CA GLY A 54 -8.769 -6.205 3.828 1.00 0.62 C ATOM 820 C GLY A 54 -7.764 -5.054 3.854 1.00 0.53 C ATOM 821 O GLY A 54 -6.564 -5.250 3.658 1.00 0.59 O ATOM 0 H GLY A 54 -7.424 -7.713 4.320 1.00 0.62 H new ATOM 0 HA2 GLY A 54 -9.506 -6.030 3.044 1.00 0.62 H new ATOM 0 HA3 GLY A 54 -9.311 -6.240 4.773 1.00 0.62 H new ATOM 825 N PRO A 55 -8.248 -3.829 4.115 1.00 0.56 N ATOM 826 CA PRO A 55 -7.389 -2.675 4.309 1.00 0.55 C ATOM 827 C PRO A 55 -6.492 -2.885 5.531 1.00 0.56 C ATOM 828 O PRO A 55 -5.319 -2.526 5.499 1.00 0.57 O ATOM 829 CB PRO A 55 -8.333 -1.481 4.469 1.00 0.68 C ATOM 830 CG PRO A 55 -9.635 -2.102 4.978 1.00 0.79 C ATOM 831 CD PRO A 55 -9.646 -3.479 4.313 1.00 0.71 C ATOM 0 HA PRO A 55 -6.711 -2.509 3.471 1.00 0.55 H new ATOM 0 HB2 PRO A 55 -7.937 -0.751 5.175 1.00 0.68 H new ATOM 0 HB3 PRO A 55 -8.482 -0.961 3.523 1.00 0.68 H new ATOM 0 HG2 PRO A 55 -9.647 -2.179 6.065 1.00 0.79 H new ATOM 0 HG3 PRO A 55 -10.503 -1.509 4.691 1.00 0.79 H new ATOM 0 HD2 PRO A 55 -10.149 -4.214 4.942 1.00 0.71 H new ATOM 0 HD3 PRO A 55 -10.181 -3.452 3.364 1.00 0.71 H new ATOM 839 N ARG A 56 -7.049 -3.467 6.599 1.00 0.61 N ATOM 840 CA ARG A 56 -6.356 -3.727 7.855 1.00 0.66 C ATOM 841 C ARG A 56 -5.002 -4.397 7.619 1.00 0.62 C ATOM 842 O ARG A 56 -3.982 -3.923 8.115 1.00 0.64 O ATOM 843 CB ARG A 56 -7.225 -4.615 8.756 1.00 0.79 C ATOM 844 CG ARG A 56 -8.515 -3.912 9.197 1.00 1.71 C ATOM 845 CD ARG A 56 -9.353 -4.867 10.053 1.00 2.22 C ATOM 846 NE ARG A 56 -10.606 -4.230 10.488 1.00 3.59 N ATOM 847 CZ ARG A 56 -11.599 -4.860 11.137 1.00 4.59 C ATOM 848 NH1 ARG A 56 -11.472 -6.156 11.448 1.00 4.55 N ATOM 849 NH2 ARG A 56 -12.710 -4.194 11.472 1.00 6.10 N ATOM 0 H ARG A 56 -8.021 -3.777 6.608 1.00 0.61 H new ATOM 0 HA ARG A 56 -6.178 -2.770 8.345 1.00 0.66 H new ATOM 0 HB2 ARG A 56 -7.477 -5.532 8.224 1.00 0.79 H new ATOM 0 HB3 ARG A 56 -6.653 -4.905 9.637 1.00 0.79 H new ATOM 0 HG2 ARG A 56 -8.275 -3.013 9.765 1.00 1.71 H new ATOM 0 HG3 ARG A 56 -9.085 -3.595 8.324 1.00 1.71 H new ATOM 0 HD2 ARG A 56 -9.579 -5.768 9.483 1.00 2.22 H new ATOM 0 HD3 ARG A 56 -8.778 -5.178 10.925 1.00 2.22 H new ATOM 0 HE ARG A 56 -10.729 -3.239 10.282 1.00 3.59 H new ATOM 0 HH11 ARG A 56 -10.624 -6.661 11.192 1.00 4.55 H new ATOM 0 HH12 ARG A 56 -12.224 -6.638 11.941 1.00 4.55 H new ATOM 0 HH21 ARG A 56 -12.804 -3.206 11.235 1.00 6.10 H new ATOM 0 HH22 ARG A 56 -13.463 -4.674 11.965 1.00 6.10 H new ATOM 863 N ASP A 57 -4.993 -5.507 6.878 1.00 0.61 N ATOM 864 CA ASP A 57 -3.800 -6.315 6.689 1.00 0.61 C ATOM 865 C ASP A 57 -2.689 -5.457 6.083 1.00 0.57 C ATOM 866 O ASP A 57 -1.576 -5.387 6.610 1.00 0.58 O ATOM 867 CB ASP A 57 -4.133 -7.504 5.780 1.00 0.67 C ATOM 868 CG ASP A 57 -5.466 -8.159 6.120 1.00 1.34 C ATOM 869 OD1 ASP A 57 -6.495 -7.519 5.796 1.00 2.55 O ATOM 870 OD2 ASP A 57 -5.441 -9.267 6.692 1.00 2.35 O ATOM 0 H ASP A 57 -5.816 -5.866 6.394 1.00 0.61 H new ATOM 0 HA ASP A 57 -3.452 -6.697 7.649 1.00 0.61 H new ATOM 0 HB2 ASP A 57 -4.154 -7.167 4.744 1.00 0.67 H new ATOM 0 HB3 ASP A 57 -3.339 -8.247 5.858 1.00 0.67 H new ATOM 875 N ILE A 58 -3.014 -4.779 4.979 1.00 0.56 N ATOM 876 CA ILE A 58 -2.107 -3.870 4.291 1.00 0.55 C ATOM 877 C ILE A 58 -1.622 -2.815 5.276 1.00 0.53 C ATOM 878 O ILE A 58 -0.422 -2.589 5.407 1.00 0.54 O ATOM 879 CB ILE A 58 -2.814 -3.179 3.115 1.00 0.57 C ATOM 880 CG1 ILE A 58 -3.341 -4.187 2.084 1.00 0.45 C ATOM 881 CG2 ILE A 58 -1.865 -2.178 2.433 1.00 0.76 C ATOM 882 CD1 ILE A 58 -4.468 -3.524 1.298 1.00 1.43 C ATOM 0 H ILE A 58 -3.930 -4.851 4.535 1.00 0.56 H new ATOM 0 HA ILE A 58 -1.265 -4.442 3.901 1.00 0.55 H new ATOM 0 HB ILE A 58 -3.672 -2.646 3.524 1.00 0.57 H new ATOM 0 HG12 ILE A 58 -2.540 -4.496 1.412 1.00 0.45 H new ATOM 0 HG13 ILE A 58 -3.704 -5.086 2.583 1.00 0.45 H new ATOM 0 HG21 ILE A 58 -2.380 -1.697 1.602 1.00 0.76 H new ATOM 0 HG22 ILE A 58 -1.554 -1.422 3.154 1.00 0.76 H new ATOM 0 HG23 ILE A 58 -0.987 -2.705 2.059 1.00 0.76 H new ATOM 0 HD11 ILE A 58 -4.857 -4.224 0.559 1.00 1.43 H new ATOM 0 HD12 ILE A 58 -5.267 -3.236 1.981 1.00 1.43 H new ATOM 0 HD13 ILE A 58 -4.086 -2.637 0.792 1.00 1.43 H new ATOM 894 N ILE A 59 -2.564 -2.150 5.944 1.00 0.53 N ATOM 895 CA ILE A 59 -2.267 -1.087 6.882 1.00 0.52 C ATOM 896 C ILE A 59 -1.218 -1.573 7.877 1.00 0.53 C ATOM 897 O ILE A 59 -0.154 -0.976 7.974 1.00 0.54 O ATOM 898 CB ILE A 59 -3.566 -0.572 7.530 1.00 0.53 C ATOM 899 CG1 ILE A 59 -4.261 0.395 6.563 1.00 0.55 C ATOM 900 CG2 ILE A 59 -3.352 0.069 8.911 1.00 0.54 C ATOM 901 CD1 ILE A 59 -5.736 0.550 6.926 1.00 0.57 C ATOM 0 H ILE A 59 -3.561 -2.341 5.843 1.00 0.53 H new ATOM 0 HA ILE A 59 -1.835 -0.226 6.372 1.00 0.52 H new ATOM 0 HB ILE A 59 -4.206 -1.434 7.715 1.00 0.53 H new ATOM 0 HG12 ILE A 59 -3.769 1.367 6.596 1.00 0.55 H new ATOM 0 HG13 ILE A 59 -4.169 0.025 5.542 1.00 0.55 H new ATOM 0 HG21 ILE A 59 -4.309 0.409 9.307 1.00 0.54 H new ATOM 0 HG22 ILE A 59 -2.919 -0.666 9.590 1.00 0.54 H new ATOM 0 HG23 ILE A 59 -2.676 0.919 8.817 1.00 0.54 H new ATOM 0 HD11 ILE A 59 -6.212 1.240 6.229 1.00 0.57 H new ATOM 0 HD12 ILE A 59 -6.229 -0.421 6.869 1.00 0.57 H new ATOM 0 HD13 ILE A 59 -5.822 0.942 7.939 1.00 0.57 H new ATOM 913 N HIS A 60 -1.472 -2.688 8.559 1.00 0.54 N ATOM 914 CA HIS A 60 -0.576 -3.174 9.598 1.00 0.56 C ATOM 915 C HIS A 60 0.764 -3.596 9.001 1.00 0.54 C ATOM 916 O HIS A 60 1.826 -3.337 9.571 1.00 0.56 O ATOM 917 CB HIS A 60 -1.266 -4.282 10.398 1.00 0.64 C ATOM 918 CG HIS A 60 -2.518 -3.783 11.080 1.00 1.09 C ATOM 919 ND1 HIS A 60 -2.672 -2.553 11.683 1.00 2.60 N ATOM 920 CD2 HIS A 60 -3.735 -4.409 11.103 1.00 1.11 C ATOM 921 CE1 HIS A 60 -3.957 -2.447 12.061 1.00 2.84 C ATOM 922 NE2 HIS A 60 -4.648 -3.554 11.732 1.00 1.85 N ATOM 0 H HIS A 60 -2.295 -3.271 8.408 1.00 0.54 H new ATOM 0 HA HIS A 60 -0.349 -2.371 10.300 1.00 0.56 H new ATOM 0 HB2 HIS A 60 -1.519 -5.108 9.733 1.00 0.64 H new ATOM 0 HB3 HIS A 60 -0.576 -4.674 11.145 1.00 0.64 H new ATOM 0 HD1 HIS A 60 -1.944 -1.852 11.818 1.00 2.60 H new ATOM 0 HD2 HIS A 60 -3.953 -5.390 10.706 1.00 1.11 H new ATOM 0 HE1 HIS A 60 -4.379 -1.588 12.562 1.00 2.84 H new ATOM 930 N THR A 61 0.717 -4.202 7.813 1.00 0.53 N ATOM 931 CA THR A 61 1.924 -4.530 7.070 1.00 0.58 C ATOM 932 C THR A 61 2.776 -3.272 6.854 1.00 0.59 C ATOM 933 O THR A 61 3.980 -3.292 7.098 1.00 0.70 O ATOM 934 CB THR A 61 1.543 -5.233 5.761 1.00 0.62 C ATOM 935 OG1 THR A 61 0.890 -6.448 6.059 1.00 0.70 O ATOM 936 CG2 THR A 61 2.762 -5.554 4.891 1.00 0.72 C ATOM 0 H THR A 61 -0.149 -4.474 7.348 1.00 0.53 H new ATOM 0 HA THR A 61 2.542 -5.223 7.641 1.00 0.58 H new ATOM 0 HB THR A 61 0.896 -4.552 5.209 1.00 0.62 H new ATOM 0 HG1 THR A 61 -0.045 -6.268 6.292 1.00 0.70 H new ATOM 0 HG21 THR A 61 2.436 -6.051 3.977 1.00 0.72 H new ATOM 0 HG22 THR A 61 3.281 -4.630 4.636 1.00 0.72 H new ATOM 0 HG23 THR A 61 3.438 -6.210 5.439 1.00 0.72 H new ATOM 944 N ILE A 62 2.168 -2.171 6.406 1.00 0.53 N ATOM 945 CA ILE A 62 2.880 -0.926 6.156 1.00 0.53 C ATOM 946 C ILE A 62 3.330 -0.276 7.474 1.00 0.55 C ATOM 947 O ILE A 62 4.475 0.162 7.568 1.00 0.62 O ATOM 948 CB ILE A 62 2.033 -0.002 5.266 1.00 0.50 C ATOM 949 CG1 ILE A 62 1.856 -0.637 3.873 1.00 0.54 C ATOM 950 CG2 ILE A 62 2.690 1.377 5.131 1.00 0.52 C ATOM 951 CD1 ILE A 62 0.945 0.187 2.958 1.00 1.02 C ATOM 0 H ILE A 62 1.169 -2.123 6.208 1.00 0.53 H new ATOM 0 HA ILE A 62 3.797 -1.133 5.604 1.00 0.53 H new ATOM 0 HB ILE A 62 1.056 0.127 5.733 1.00 0.50 H new ATOM 0 HG12 ILE A 62 2.833 -0.747 3.402 1.00 0.54 H new ATOM 0 HG13 ILE A 62 1.441 -1.639 3.985 1.00 0.54 H new ATOM 0 HG21 ILE A 62 2.073 2.014 4.497 1.00 0.52 H new ATOM 0 HG22 ILE A 62 2.787 1.832 6.117 1.00 0.52 H new ATOM 0 HG23 ILE A 62 3.678 1.267 4.683 1.00 0.52 H new ATOM 0 HD11 ILE A 62 0.857 -0.308 1.991 1.00 1.02 H new ATOM 0 HD12 ILE A 62 -0.042 0.276 3.412 1.00 1.02 H new ATOM 0 HD13 ILE A 62 1.371 1.181 2.819 1.00 1.02 H new ATOM 963 N GLU A 63 2.469 -0.229 8.495 1.00 0.50 N ATOM 964 CA GLU A 63 2.820 0.254 9.828 1.00 0.50 C ATOM 965 C GLU A 63 4.106 -0.423 10.305 1.00 0.52 C ATOM 966 O GLU A 63 5.015 0.249 10.788 1.00 0.54 O ATOM 967 CB GLU A 63 1.669 0.005 10.815 1.00 0.59 C ATOM 968 CG GLU A 63 0.466 0.924 10.547 1.00 1.08 C ATOM 969 CD GLU A 63 -0.779 0.550 11.349 1.00 1.76 C ATOM 970 OE1 GLU A 63 -0.823 -0.580 11.888 1.00 2.58 O ATOM 971 OE2 GLU A 63 -1.696 1.395 11.391 1.00 2.69 O ATOM 0 H GLU A 63 1.498 -0.530 8.415 1.00 0.50 H new ATOM 0 HA GLU A 63 2.991 1.329 9.780 1.00 0.50 H new ATOM 0 HB2 GLU A 63 1.352 -1.036 10.746 1.00 0.59 H new ATOM 0 HB3 GLU A 63 2.025 0.163 11.833 1.00 0.59 H new ATOM 0 HG2 GLU A 63 0.745 1.951 10.782 1.00 1.08 H new ATOM 0 HG3 GLU A 63 0.226 0.894 9.484 1.00 1.08 H new ATOM 978 N SER A 64 4.213 -1.741 10.112 1.00 0.57 N ATOM 979 CA SER A 64 5.420 -2.500 10.432 1.00 0.62 C ATOM 980 C SER A 64 6.684 -1.899 9.786 1.00 0.68 C ATOM 981 O SER A 64 7.759 -1.932 10.380 1.00 0.79 O ATOM 982 CB SER A 64 5.219 -3.970 10.036 1.00 0.73 C ATOM 983 OG SER A 64 6.158 -4.801 10.689 1.00 2.04 O ATOM 0 H SER A 64 3.460 -2.312 9.728 1.00 0.57 H new ATOM 0 HA SER A 64 5.584 -2.442 11.508 1.00 0.62 H new ATOM 0 HB2 SER A 64 4.208 -4.285 10.293 1.00 0.73 H new ATOM 0 HB3 SER A 64 5.321 -4.077 8.956 1.00 0.73 H new ATOM 0 HG SER A 64 6.011 -5.733 10.423 1.00 2.04 H new ATOM 989 N LEU A 65 6.572 -1.331 8.577 1.00 0.73 N ATOM 990 CA LEU A 65 7.695 -0.693 7.890 1.00 0.83 C ATOM 991 C LEU A 65 8.017 0.693 8.463 1.00 0.81 C ATOM 992 O LEU A 65 9.071 1.244 8.152 1.00 0.95 O ATOM 993 CB LEU A 65 7.414 -0.573 6.383 1.00 0.90 C ATOM 994 CG LEU A 65 7.013 -1.884 5.691 1.00 0.92 C ATOM 995 CD1 LEU A 65 6.708 -1.598 4.217 1.00 1.10 C ATOM 996 CD2 LEU A 65 8.111 -2.947 5.792 1.00 1.01 C ATOM 0 H LEU A 65 5.699 -1.303 8.051 1.00 0.73 H new ATOM 0 HA LEU A 65 8.563 -1.332 8.050 1.00 0.83 H new ATOM 0 HB2 LEU A 65 6.618 0.157 6.234 1.00 0.90 H new ATOM 0 HB3 LEU A 65 8.304 -0.179 5.893 1.00 0.90 H new ATOM 0 HG LEU A 65 6.130 -2.276 6.196 1.00 0.92 H new ATOM 0 HD11 LEU A 65 6.422 -2.524 3.718 1.00 1.10 H new ATOM 0 HD12 LEU A 65 5.890 -0.881 4.147 1.00 1.10 H new ATOM 0 HD13 LEU A 65 7.594 -1.185 3.735 1.00 1.10 H new ATOM 0 HD21 LEU A 65 7.784 -3.857 5.289 1.00 1.01 H new ATOM 0 HD22 LEU A 65 9.020 -2.577 5.318 1.00 1.01 H new ATOM 0 HD23 LEU A 65 8.312 -3.164 6.841 1.00 1.01 H new ATOM 1008 N GLY A 66 7.129 1.268 9.280 1.00 0.81 N ATOM 1009 CA GLY A 66 7.330 2.564 9.907 1.00 0.79 C ATOM 1010 C GLY A 66 6.888 3.709 8.997 1.00 0.73 C ATOM 1011 O GLY A 66 7.585 4.717 8.891 1.00 0.80 O ATOM 0 H GLY A 66 6.239 0.834 9.524 1.00 0.81 H new ATOM 0 HA2 GLY A 66 6.771 2.606 10.842 1.00 0.79 H new ATOM 0 HA3 GLY A 66 8.383 2.686 10.160 1.00 0.79 H new ATOM 1015 N PHE A 67 5.711 3.574 8.379 1.00 0.65 N ATOM 1016 CA PHE A 67 5.050 4.627 7.617 1.00 0.59 C ATOM 1017 C PHE A 67 3.590 4.663 8.069 1.00 0.59 C ATOM 1018 O PHE A 67 3.098 3.649 8.556 1.00 0.66 O ATOM 1019 CB PHE A 67 5.140 4.312 6.115 1.00 0.60 C ATOM 1020 CG PHE A 67 6.526 3.970 5.595 1.00 0.59 C ATOM 1021 CD1 PHE A 67 7.591 4.874 5.762 1.00 1.84 C ATOM 1022 CD2 PHE A 67 6.756 2.743 4.940 1.00 1.73 C ATOM 1023 CE1 PHE A 67 8.862 4.577 5.241 1.00 1.84 C ATOM 1024 CE2 PHE A 67 8.030 2.441 4.429 1.00 1.74 C ATOM 1025 CZ PHE A 67 9.079 3.364 4.566 1.00 0.63 C ATOM 0 H PHE A 67 5.180 2.703 8.398 1.00 0.65 H new ATOM 0 HA PHE A 67 5.524 5.594 7.787 1.00 0.59 H new ATOM 0 HB2 PHE A 67 4.474 3.477 5.897 1.00 0.60 H new ATOM 0 HB3 PHE A 67 4.765 5.172 5.559 1.00 0.60 H new ATOM 0 HD1 PHE A 67 7.431 5.801 6.293 1.00 1.84 H new ATOM 0 HD2 PHE A 67 5.950 2.032 4.830 1.00 1.73 H new ATOM 0 HE1 PHE A 67 9.672 5.281 5.360 1.00 1.84 H new ATOM 0 HE2 PHE A 67 8.202 1.498 3.931 1.00 1.74 H new ATOM 0 HZ PHE A 67 10.052 3.142 4.153 1.00 0.63 H new ATOM 1035 N GLU A 68 2.890 5.792 7.905 1.00 0.59 N ATOM 1036 CA GLU A 68 1.482 5.915 8.258 1.00 0.57 C ATOM 1037 C GLU A 68 0.602 5.695 7.026 1.00 0.55 C ATOM 1038 O GLU A 68 0.427 6.655 6.271 1.00 0.55 O ATOM 1039 CB GLU A 68 1.189 7.349 8.701 1.00 0.63 C ATOM 1040 CG GLU A 68 1.839 7.897 9.969 1.00 1.09 C ATOM 1041 CD GLU A 68 1.389 9.344 10.164 1.00 1.71 C ATOM 1042 OE1 GLU A 68 0.357 9.706 9.546 1.00 2.63 O ATOM 1043 OE2 GLU A 68 2.099 10.076 10.881 1.00 2.63 O ATOM 0 H GLU A 68 3.292 6.647 7.521 1.00 0.59 H new ATOM 0 HA GLU A 68 1.276 5.183 9.039 1.00 0.57 H new ATOM 0 HB2 GLU A 68 1.471 8.008 7.880 1.00 0.63 H new ATOM 0 HB3 GLU A 68 0.110 7.438 8.824 1.00 0.63 H new ATOM 0 HG2 GLU A 68 1.554 7.293 10.831 1.00 1.09 H new ATOM 0 HG3 GLU A 68 2.925 7.846 9.889 1.00 1.09 H new ATOM 1050 N PRO A 69 0.002 4.517 6.796 1.00 0.57 N ATOM 1051 CA PRO A 69 -0.999 4.384 5.758 1.00 0.55 C ATOM 1052 C PRO A 69 -2.335 4.936 6.266 1.00 0.78 C ATOM 1053 O PRO A 69 -2.667 4.791 7.441 1.00 1.69 O ATOM 1054 CB PRO A 69 -1.079 2.886 5.479 1.00 0.52 C ATOM 1055 CG PRO A 69 -0.843 2.294 6.863 1.00 0.58 C ATOM 1056 CD PRO A 69 0.154 3.260 7.512 1.00 0.63 C ATOM 0 HA PRO A 69 -0.755 4.939 4.852 1.00 0.55 H new ATOM 0 HB2 PRO A 69 -2.048 2.598 5.072 1.00 0.52 H new ATOM 0 HB3 PRO A 69 -0.323 2.563 4.763 1.00 0.52 H new ATOM 0 HG2 PRO A 69 -1.769 2.232 7.434 1.00 0.58 H new ATOM 0 HG3 PRO A 69 -0.438 1.284 6.802 1.00 0.58 H new ATOM 0 HD2 PRO A 69 -0.056 3.386 8.574 1.00 0.63 H new ATOM 0 HD3 PRO A 69 1.174 2.884 7.432 1.00 0.63 H new ATOM 1064 N SER A 70 -3.110 5.581 5.397 1.00 0.74 N ATOM 1065 CA SER A 70 -4.387 6.172 5.771 1.00 0.92 C ATOM 1066 C SER A 70 -5.281 6.279 4.535 1.00 0.70 C ATOM 1067 O SER A 70 -4.870 6.861 3.536 1.00 0.63 O ATOM 1068 CB SER A 70 -4.130 7.516 6.468 1.00 1.29 C ATOM 1069 OG SER A 70 -3.105 8.274 5.834 1.00 1.64 O ATOM 0 H SER A 70 -2.868 5.707 4.414 1.00 0.74 H new ATOM 0 HA SER A 70 -4.923 5.544 6.483 1.00 0.92 H new ATOM 0 HB2 SER A 70 -5.052 8.097 6.480 1.00 1.29 H new ATOM 0 HB3 SER A 70 -3.854 7.335 7.507 1.00 1.29 H new ATOM 0 HG SER A 70 -2.730 7.759 5.090 1.00 1.64 H new ATOM 1075 N LEU A 71 -6.460 5.651 4.557 1.00 0.74 N ATOM 1076 CA LEU A 71 -7.309 5.484 3.394 1.00 0.71 C ATOM 1077 C LEU A 71 -7.750 6.832 2.821 1.00 0.75 C ATOM 1078 O LEU A 71 -8.187 7.695 3.580 1.00 1.46 O ATOM 1079 CB LEU A 71 -8.537 4.664 3.800 1.00 1.07 C ATOM 1080 CG LEU A 71 -8.246 3.309 4.472 1.00 1.36 C ATOM 1081 CD1 LEU A 71 -7.209 2.481 3.706 1.00 2.90 C ATOM 1082 CD2 LEU A 71 -7.919 3.355 5.973 1.00 2.31 C ATOM 0 H LEU A 71 -6.851 5.240 5.405 1.00 0.74 H new ATOM 0 HA LEU A 71 -6.744 4.968 2.618 1.00 0.71 H new ATOM 0 HB2 LEU A 71 -9.142 5.263 4.481 1.00 1.07 H new ATOM 0 HB3 LEU A 71 -9.141 4.485 2.911 1.00 1.07 H new ATOM 0 HG LEU A 71 -9.209 2.801 4.416 1.00 1.36 H new ATOM 0 HD11 LEU A 71 -7.043 1.537 4.224 1.00 2.90 H new ATOM 0 HD12 LEU A 71 -7.574 2.283 2.698 1.00 2.90 H new ATOM 0 HD13 LEU A 71 -6.271 3.034 3.650 1.00 2.90 H new ATOM 0 HD21 LEU A 71 -7.733 2.344 6.336 1.00 2.31 H new ATOM 0 HD22 LEU A 71 -7.032 3.968 6.133 1.00 2.31 H new ATOM 0 HD23 LEU A 71 -8.760 3.786 6.516 1.00 2.31 H new ATOM 1094 N VAL A 72 -7.659 6.997 1.496 1.00 1.30 N ATOM 1095 CA VAL A 72 -8.134 8.197 0.802 1.00 1.47 C ATOM 1096 C VAL A 72 -8.780 7.852 -0.543 1.00 1.65 C ATOM 1097 O VAL A 72 -9.833 8.397 -0.859 1.00 2.31 O ATOM 1098 CB VAL A 72 -7.009 9.239 0.637 1.00 1.80 C ATOM 1099 CG1 VAL A 72 -7.502 10.480 -0.122 1.00 2.45 C ATOM 1100 CG2 VAL A 72 -6.486 9.716 1.999 1.00 2.18 C ATOM 0 H VAL A 72 -7.252 6.299 0.874 1.00 1.30 H new ATOM 0 HA VAL A 72 -8.905 8.647 1.427 1.00 1.47 H new ATOM 0 HB VAL A 72 -6.215 8.744 0.078 1.00 1.80 H new ATOM 0 HG11 VAL A 72 -6.685 11.194 -0.221 1.00 2.45 H new ATOM 0 HG12 VAL A 72 -7.849 10.186 -1.113 1.00 2.45 H new ATOM 0 HG13 VAL A 72 -8.322 10.941 0.428 1.00 2.45 H new ATOM 0 HG21 VAL A 72 -5.694 10.450 1.848 1.00 2.18 H new ATOM 0 HG22 VAL A 72 -7.300 10.172 2.562 1.00 2.18 H new ATOM 0 HG23 VAL A 72 -6.092 8.866 2.555 1.00 2.18 H new ATOM 1110 N LYS A 73 -8.181 6.953 -1.333 1.00 1.71 N ATOM 1111 CA LYS A 73 -8.533 6.772 -2.736 1.00 2.13 C ATOM 1112 C LYS A 73 -8.729 8.115 -3.449 1.00 2.61 C ATOM 1113 O LYS A 73 -7.810 8.933 -3.437 1.00 3.71 O ATOM 1114 CB LYS A 73 -9.593 5.669 -2.953 1.00 2.60 C ATOM 1115 CG LYS A 73 -10.931 5.784 -2.199 1.00 2.75 C ATOM 1116 CD LYS A 73 -10.891 5.198 -0.774 1.00 3.82 C ATOM 1117 CE LYS A 73 -12.285 4.828 -0.242 1.00 5.17 C ATOM 1118 NZ LYS A 73 -13.240 5.952 -0.284 1.00 5.59 N ATOM 0 H LYS A 73 -7.438 6.332 -1.012 1.00 1.71 H new ATOM 0 HA LYS A 73 -7.682 6.346 -3.267 1.00 2.13 H new ATOM 0 HB2 LYS A 73 -9.815 5.626 -4.019 1.00 2.60 H new ATOM 0 HB3 LYS A 73 -9.140 4.715 -2.683 1.00 2.60 H new ATOM 0 HG2 LYS A 73 -11.217 6.834 -2.143 1.00 2.75 H new ATOM 0 HG3 LYS A 73 -11.705 5.273 -2.771 1.00 2.75 H new ATOM 0 HD2 LYS A 73 -10.258 4.311 -0.769 1.00 3.82 H new ATOM 0 HD3 LYS A 73 -10.431 5.922 -0.101 1.00 3.82 H new ATOM 0 HE2 LYS A 73 -12.683 4.000 -0.828 1.00 5.17 H new ATOM 0 HE3 LYS A 73 -12.193 4.476 0.785 1.00 5.17 H new ATOM 0 HZ1 LYS A 73 -14.128 5.671 0.180 1.00 5.59 H new ATOM 0 HZ2 LYS A 73 -12.834 6.771 0.212 1.00 5.59 H new ATOM 0 HZ3 LYS A 73 -13.432 6.207 -1.274 1.00 5.59 H new ATOM 1132 N ILE A 74 -9.892 8.340 -4.061 1.00 2.96 N ATOM 1133 CA ILE A 74 -10.292 9.657 -4.540 1.00 3.94 C ATOM 1134 C ILE A 74 -11.073 10.319 -3.400 1.00 4.00 C ATOM 1135 O ILE A 74 -10.550 11.211 -2.733 1.00 4.59 O ATOM 1136 CB ILE A 74 -11.072 9.570 -5.870 1.00 5.14 C ATOM 1137 CG1 ILE A 74 -10.370 8.686 -6.920 1.00 6.10 C ATOM 1138 CG2 ILE A 74 -11.203 10.985 -6.453 1.00 6.23 C ATOM 1139 CD1 ILE A 74 -10.865 7.235 -6.907 1.00 6.68 C ATOM 0 H ILE A 74 -10.583 7.610 -4.237 1.00 2.96 H new ATOM 0 HA ILE A 74 -9.428 10.273 -4.787 1.00 3.94 H new ATOM 0 HB ILE A 74 -12.041 9.122 -5.649 1.00 5.14 H new ATOM 0 HG12 ILE A 74 -10.531 9.110 -7.911 1.00 6.10 H new ATOM 0 HG13 ILE A 74 -9.295 8.699 -6.739 1.00 6.10 H new ATOM 0 HG21 ILE A 74 -11.752 10.942 -7.394 1.00 6.23 H new ATOM 0 HG22 ILE A 74 -11.740 11.620 -5.749 1.00 6.23 H new ATOM 0 HG23 ILE A 74 -10.210 11.398 -6.631 1.00 6.23 H new ATOM 0 HD11 ILE A 74 -10.334 6.663 -7.668 1.00 6.68 H new ATOM 0 HD12 ILE A 74 -10.679 6.796 -5.927 1.00 6.68 H new ATOM 0 HD13 ILE A 74 -11.934 7.213 -7.117 1.00 6.68 H new ATOM 1151 N GLU A 75 -12.286 9.824 -3.143 1.00 4.55 N ATOM 1152 CA GLU A 75 -13.061 10.045 -1.939 1.00 5.45 C ATOM 1153 C GLU A 75 -13.269 8.661 -1.328 1.00 6.02 C ATOM 1154 O GLU A 75 -13.141 8.494 -0.094 1.00 6.81 O ATOM 1155 CB GLU A 75 -14.420 10.672 -2.282 1.00 6.34 C ATOM 1156 CG GLU A 75 -14.321 11.952 -3.130 1.00 7.27 C ATOM 1157 CD GLU A 75 -14.192 11.714 -4.636 1.00 8.02 C ATOM 1158 OE1 GLU A 75 -14.311 10.547 -5.070 1.00 8.26 O ATOM 1159 OE2 GLU A 75 -13.990 12.727 -5.338 1.00 8.89 O ATOM 1160 OXT GLU A 75 -13.532 7.715 -2.110 1.00 6.58 O ATOM 0 H GLU A 75 -12.773 9.227 -3.812 1.00 4.55 H new ATOM 0 HA GLU A 75 -12.553 10.725 -1.255 1.00 5.45 H new ATOM 0 HB2 GLU A 75 -15.022 9.939 -2.818 1.00 6.34 H new ATOM 0 HB3 GLU A 75 -14.947 10.902 -1.356 1.00 6.34 H new ATOM 0 HG2 GLU A 75 -15.206 12.562 -2.947 1.00 7.27 H new ATOM 0 HG3 GLU A 75 -13.460 12.529 -2.792 1.00 7.27 H new TER 1167 GLU A 75 HETATM 1168 CU CU1 A 76 13.460 6.883 1.652 1.00 0.74 CU