USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 591 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 24 SER OG : rot 180:sc= 1.02 USER MOD Set 1.2: A 27 THR OG1 : rot -78:sc= 1.13 USER MOD Set 1.3: A 28 LYS NZ :NH3+ 158:sc= 2.2 (180deg=1.06) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -145:sc= 1.2 (180deg=0.963) USER MOD Single : A 13 MET CE :methyl 153:sc= -0.0757 (180deg=-0.734) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.0454 X(o=-0.045,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= 0.221 (180deg=0.0936) USER MOD Single : A 25 SER OG : rot 130:sc= 0 USER MOD Single : A 29 HIS : no HE2:sc= -0.564 X(o=-0.56,f=-0.28) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.188 USER MOD Single : A 36 SER OG : rot 114:sc= 1.17 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 42 ASN : amide:sc= -0.023 X(o=-0.023,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.14) USER MOD Single : A 45 HIS : no HE2:sc= 0.478 K(o=0.48,f=-6!) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= 1.15 (180deg=1.02) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -1.65 K(o=-1.7,f=-5.3!) USER MOD Single : A 61 THR OG1 : rot 72:sc= 1.08 USER MOD Single : A 64 SER OG : rot -21:sc= 0.127 USER MOD Single : A 70 SER OG : rot 0:sc= 2.51 USER MOD Single : A 73 LYS NZ :NH3+ -161:sc= 0.948 (180deg=-0.518!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.758 -16.397 -3.159 1.00 5.84 N ATOM 2 CA MET A 1 -7.866 -17.560 -3.281 1.00 4.74 C ATOM 3 C MET A 1 -6.472 -17.085 -3.689 1.00 3.53 C ATOM 4 O MET A 1 -5.593 -16.978 -2.840 1.00 4.08 O ATOM 5 CB MET A 1 -8.458 -18.615 -4.229 1.00 5.10 C ATOM 6 CG MET A 1 -7.600 -19.884 -4.289 1.00 5.53 C ATOM 7 SD MET A 1 -8.322 -21.216 -5.278 1.00 6.44 S ATOM 8 CE MET A 1 -7.046 -22.480 -5.085 1.00 7.19 C ATOM 0 H1 MET A 1 -9.433 -16.557 -2.384 1.00 5.84 H new ATOM 0 H2 MET A 1 -8.194 -15.547 -2.957 1.00 5.84 H new ATOM 0 H3 MET A 1 -9.278 -16.264 -4.050 1.00 5.84 H new ATOM 0 HA MET A 1 -7.770 -18.060 -2.317 1.00 4.74 H new ATOM 0 HB2 MET A 1 -9.464 -18.874 -3.899 1.00 5.10 H new ATOM 0 HB3 MET A 1 -8.549 -18.192 -5.229 1.00 5.10 H new ATOM 0 HG2 MET A 1 -6.623 -19.630 -4.699 1.00 5.53 H new ATOM 0 HG3 MET A 1 -7.436 -20.247 -3.274 1.00 5.53 H new ATOM 0 HE1 MET A 1 -7.334 -23.375 -5.636 1.00 7.19 H new ATOM 0 HE2 MET A 1 -6.100 -22.104 -5.473 1.00 7.19 H new ATOM 0 HE3 MET A 1 -6.933 -22.725 -4.029 1.00 7.19 H new ATOM 20 N GLY A 2 -6.281 -16.746 -4.967 1.00 3.06 N ATOM 21 CA GLY A 2 -5.066 -16.087 -5.425 1.00 3.15 C ATOM 22 C GLY A 2 -5.082 -14.627 -4.978 1.00 2.91 C ATOM 23 O GLY A 2 -5.213 -13.728 -5.802 1.00 3.85 O ATOM 0 H GLY A 2 -6.963 -16.921 -5.705 1.00 3.06 H new ATOM 0 HA2 GLY A 2 -4.190 -16.593 -5.020 1.00 3.15 H new ATOM 0 HA3 GLY A 2 -4.995 -16.146 -6.511 1.00 3.15 H new ATOM 27 N ASP A 3 -4.997 -14.396 -3.666 1.00 2.27 N ATOM 28 CA ASP A 3 -5.003 -13.073 -3.065 1.00 2.06 C ATOM 29 C ASP A 3 -4.182 -13.108 -1.778 1.00 1.29 C ATOM 30 O ASP A 3 -3.994 -14.174 -1.192 1.00 2.04 O ATOM 31 CB ASP A 3 -6.435 -12.584 -2.810 1.00 2.97 C ATOM 32 CG ASP A 3 -7.112 -13.306 -1.658 1.00 3.20 C ATOM 33 OD1 ASP A 3 -7.777 -14.329 -1.928 1.00 4.10 O ATOM 34 OD2 ASP A 3 -6.999 -12.793 -0.523 1.00 3.64 O ATOM 0 H ASP A 3 -4.920 -15.147 -2.980 1.00 2.27 H new ATOM 0 HA ASP A 3 -4.550 -12.361 -3.755 1.00 2.06 H new ATOM 0 HB2 ASP A 3 -6.416 -11.515 -2.600 1.00 2.97 H new ATOM 0 HB3 ASP A 3 -7.026 -12.721 -3.715 1.00 2.97 H new ATOM 39 N GLY A 4 -3.679 -11.948 -1.354 1.00 1.04 N ATOM 40 CA GLY A 4 -2.907 -11.781 -0.136 1.00 1.42 C ATOM 41 C GLY A 4 -3.241 -10.439 0.508 1.00 1.20 C ATOM 42 O GLY A 4 -3.825 -9.568 -0.141 1.00 1.33 O ATOM 0 H GLY A 4 -3.805 -11.076 -1.869 1.00 1.04 H new ATOM 0 HA2 GLY A 4 -3.126 -12.592 0.558 1.00 1.42 H new ATOM 0 HA3 GLY A 4 -1.842 -11.832 -0.360 1.00 1.42 H new ATOM 46 N VAL A 5 -2.880 -10.295 1.789 1.00 1.24 N ATOM 47 CA VAL A 5 -3.069 -9.097 2.601 1.00 1.15 C ATOM 48 C VAL A 5 -1.704 -8.453 2.864 1.00 1.20 C ATOM 49 O VAL A 5 -0.940 -8.916 3.712 1.00 1.71 O ATOM 50 CB VAL A 5 -3.827 -9.431 3.906 1.00 1.33 C ATOM 51 CG1 VAL A 5 -5.300 -9.729 3.608 1.00 1.94 C ATOM 52 CG2 VAL A 5 -3.274 -10.624 4.700 1.00 2.32 C ATOM 0 H VAL A 5 -2.428 -11.048 2.307 1.00 1.24 H new ATOM 0 HA VAL A 5 -3.688 -8.377 2.065 1.00 1.15 H new ATOM 0 HB VAL A 5 -3.696 -8.541 4.521 1.00 1.33 H new ATOM 0 HG11 VAL A 5 -5.819 -9.962 4.538 1.00 1.94 H new ATOM 0 HG12 VAL A 5 -5.761 -8.857 3.144 1.00 1.94 H new ATOM 0 HG13 VAL A 5 -5.369 -10.580 2.930 1.00 1.94 H new ATOM 0 HG21 VAL A 5 -3.875 -10.775 5.596 1.00 2.32 H new ATOM 0 HG22 VAL A 5 -3.312 -11.521 4.082 1.00 2.32 H new ATOM 0 HG23 VAL A 5 -2.241 -10.424 4.985 1.00 2.32 H new ATOM 62 N LEU A 6 -1.377 -7.392 2.124 1.00 0.97 N ATOM 63 CA LEU A 6 -0.161 -6.629 2.347 1.00 1.15 C ATOM 64 C LEU A 6 -0.475 -5.548 3.374 1.00 0.97 C ATOM 65 O LEU A 6 -1.166 -4.583 3.058 1.00 1.08 O ATOM 66 CB LEU A 6 0.363 -6.037 1.029 1.00 1.43 C ATOM 67 CG LEU A 6 1.807 -6.486 0.770 1.00 1.38 C ATOM 68 CD1 LEU A 6 2.186 -6.137 -0.665 1.00 3.19 C ATOM 69 CD2 LEU A 6 2.790 -5.796 1.718 1.00 2.49 C ATOM 0 H LEU A 6 -1.951 -7.043 1.356 1.00 0.97 H new ATOM 0 HA LEU A 6 0.632 -7.272 2.728 1.00 1.15 H new ATOM 0 HB2 LEU A 6 -0.275 -6.353 0.204 1.00 1.43 H new ATOM 0 HB3 LEU A 6 0.317 -4.949 1.069 1.00 1.43 H new ATOM 0 HG LEU A 6 1.862 -7.561 0.939 1.00 1.38 H new ATOM 0 HD11 LEU A 6 3.211 -6.453 -0.858 1.00 3.19 H new ATOM 0 HD12 LEU A 6 1.513 -6.648 -1.354 1.00 3.19 H new ATOM 0 HD13 LEU A 6 2.105 -5.060 -0.811 1.00 3.19 H new ATOM 0 HD21 LEU A 6 3.803 -6.139 1.505 1.00 2.49 H new ATOM 0 HD22 LEU A 6 2.735 -4.717 1.577 1.00 2.49 H new ATOM 0 HD23 LEU A 6 2.534 -6.040 2.749 1.00 2.49 H new ATOM 81 N GLU A 7 0.010 -5.732 4.602 1.00 0.96 N ATOM 82 CA GLU A 7 -0.135 -4.771 5.680 1.00 0.83 C ATOM 83 C GLU A 7 1.215 -4.120 5.922 1.00 0.90 C ATOM 84 O GLU A 7 2.108 -4.730 6.512 1.00 1.24 O ATOM 85 CB GLU A 7 -0.696 -5.453 6.925 1.00 1.01 C ATOM 86 CG GLU A 7 -2.157 -5.798 6.627 1.00 1.49 C ATOM 87 CD GLU A 7 -2.804 -6.628 7.718 1.00 2.48 C ATOM 88 OE1 GLU A 7 -2.122 -7.551 8.214 1.00 3.61 O ATOM 89 OE2 GLU A 7 -3.983 -6.322 8.003 1.00 3.22 O ATOM 0 H GLU A 7 0.523 -6.571 4.874 1.00 0.96 H new ATOM 0 HA GLU A 7 -0.848 -3.991 5.413 1.00 0.83 H new ATOM 0 HB2 GLU A 7 -0.128 -6.353 7.161 1.00 1.01 H new ATOM 0 HB3 GLU A 7 -0.624 -4.795 7.791 1.00 1.01 H new ATOM 0 HG2 GLU A 7 -2.723 -4.876 6.496 1.00 1.49 H new ATOM 0 HG3 GLU A 7 -2.211 -6.342 5.684 1.00 1.49 H new ATOM 96 N LEU A 8 1.354 -2.887 5.440 1.00 0.86 N ATOM 97 CA LEU A 8 2.550 -2.083 5.598 1.00 1.03 C ATOM 98 C LEU A 8 2.269 -0.998 6.630 1.00 0.92 C ATOM 99 O LEU A 8 1.164 -0.467 6.638 1.00 0.96 O ATOM 100 CB LEU A 8 2.903 -1.427 4.256 1.00 1.59 C ATOM 101 CG LEU A 8 3.172 -2.429 3.125 1.00 0.78 C ATOM 102 CD1 LEU A 8 3.299 -1.677 1.798 1.00 1.70 C ATOM 103 CD2 LEU A 8 4.447 -3.239 3.385 1.00 2.35 C ATOM 0 H LEU A 8 0.617 -2.414 4.917 1.00 0.86 H new ATOM 0 HA LEU A 8 3.382 -2.707 5.924 1.00 1.03 H new ATOM 0 HB2 LEU A 8 2.086 -0.769 3.959 1.00 1.59 H new ATOM 0 HB3 LEU A 8 3.785 -0.800 4.390 1.00 1.59 H new ATOM 0 HG LEU A 8 2.335 -3.126 3.080 1.00 0.78 H new ATOM 0 HD11 LEU A 8 3.490 -2.388 0.994 1.00 1.70 H new ATOM 0 HD12 LEU A 8 2.373 -1.139 1.595 1.00 1.70 H new ATOM 0 HD13 LEU A 8 4.124 -0.968 1.859 1.00 1.70 H new ATOM 0 HD21 LEU A 8 4.607 -3.939 2.565 1.00 2.35 H new ATOM 0 HD22 LEU A 8 5.299 -2.563 3.457 1.00 2.35 H new ATOM 0 HD23 LEU A 8 4.343 -3.792 4.318 1.00 2.35 H new ATOM 115 N VAL A 9 3.257 -0.628 7.450 1.00 0.93 N ATOM 116 CA VAL A 9 3.342 0.710 8.007 1.00 0.93 C ATOM 117 C VAL A 9 3.905 1.568 6.873 1.00 0.90 C ATOM 118 O VAL A 9 4.910 1.189 6.269 1.00 1.01 O ATOM 119 CB VAL A 9 4.204 0.737 9.289 1.00 1.00 C ATOM 120 CG1 VAL A 9 5.105 1.977 9.391 1.00 1.03 C ATOM 121 CG2 VAL A 9 3.293 0.735 10.525 1.00 1.09 C ATOM 0 H VAL A 9 4.012 -1.249 7.740 1.00 0.93 H new ATOM 0 HA VAL A 9 2.376 1.092 8.336 1.00 0.93 H new ATOM 0 HB VAL A 9 4.838 -0.148 9.242 1.00 1.00 H new ATOM 0 HG11 VAL A 9 5.683 1.932 10.314 1.00 1.03 H new ATOM 0 HG12 VAL A 9 5.784 2.004 8.539 1.00 1.03 H new ATOM 0 HG13 VAL A 9 4.488 2.876 9.392 1.00 1.03 H new ATOM 0 HG21 VAL A 9 3.904 0.754 11.427 1.00 1.09 H new ATOM 0 HG22 VAL A 9 2.649 1.614 10.504 1.00 1.09 H new ATOM 0 HG23 VAL A 9 2.678 -0.165 10.522 1.00 1.09 H new ATOM 131 N VAL A 10 3.240 2.682 6.555 1.00 0.83 N ATOM 132 CA VAL A 10 3.610 3.597 5.494 1.00 0.73 C ATOM 133 C VAL A 10 4.309 4.796 6.141 1.00 0.70 C ATOM 134 O VAL A 10 3.706 5.817 6.472 1.00 1.30 O ATOM 135 CB VAL A 10 2.373 3.918 4.640 1.00 0.92 C ATOM 136 CG1 VAL A 10 1.140 4.382 5.427 1.00 2.57 C ATOM 137 CG2 VAL A 10 2.748 4.939 3.573 1.00 2.47 C ATOM 0 H VAL A 10 2.399 2.974 7.053 1.00 0.83 H new ATOM 0 HA VAL A 10 4.322 3.172 4.787 1.00 0.73 H new ATOM 0 HB VAL A 10 2.068 2.975 4.186 1.00 0.92 H new ATOM 0 HG11 VAL A 10 0.322 4.583 4.736 1.00 2.57 H new ATOM 0 HG12 VAL A 10 0.840 3.602 6.127 1.00 2.57 H new ATOM 0 HG13 VAL A 10 1.381 5.291 5.978 1.00 2.57 H new ATOM 0 HG21 VAL A 10 1.873 5.169 2.966 1.00 2.47 H new ATOM 0 HG22 VAL A 10 3.107 5.850 4.052 1.00 2.47 H new ATOM 0 HG23 VAL A 10 3.533 4.529 2.938 1.00 2.47 H new ATOM 147 N ARG A 11 5.611 4.646 6.359 1.00 0.86 N ATOM 148 CA ARG A 11 6.419 5.555 7.158 1.00 1.23 C ATOM 149 C ARG A 11 6.854 6.748 6.299 1.00 1.37 C ATOM 150 O ARG A 11 8.045 6.983 6.118 1.00 2.61 O ATOM 151 CB ARG A 11 7.620 4.780 7.739 1.00 1.46 C ATOM 152 CG ARG A 11 8.342 3.968 6.651 1.00 2.41 C ATOM 153 CD ARG A 11 9.803 3.652 6.976 1.00 3.39 C ATOM 154 NE ARG A 11 9.910 2.440 7.794 1.00 4.23 N ATOM 155 CZ ARG A 11 10.280 2.335 9.074 1.00 4.67 C ATOM 156 NH1 ARG A 11 10.521 3.423 9.814 1.00 4.32 N ATOM 157 NH2 ARG A 11 10.398 1.108 9.587 1.00 6.21 N ATOM 0 H ARG A 11 6.146 3.868 5.974 1.00 0.86 H new ATOM 0 HA ARG A 11 5.842 5.952 7.993 1.00 1.23 H new ATOM 0 HB2 ARG A 11 8.319 5.479 8.197 1.00 1.46 H new ATOM 0 HB3 ARG A 11 7.276 4.110 8.527 1.00 1.46 H new ATOM 0 HG2 ARG A 11 7.805 3.033 6.494 1.00 2.41 H new ATOM 0 HG3 ARG A 11 8.301 4.521 5.712 1.00 2.41 H new ATOM 0 HD2 ARG A 11 10.365 3.521 6.051 1.00 3.39 H new ATOM 0 HD3 ARG A 11 10.251 4.493 7.505 1.00 3.39 H new ATOM 0 HE ARG A 11 9.672 1.565 7.327 1.00 4.23 H new ATOM 0 HH11 ARG A 11 10.423 4.351 9.403 1.00 4.32 H new ATOM 0 HH12 ARG A 11 10.802 3.324 10.789 1.00 4.32 H new ATOM 0 HH21 ARG A 11 10.208 0.292 9.006 1.00 6.21 H new ATOM 0 HH22 ARG A 11 10.678 0.987 10.560 1.00 6.21 H new ATOM 171 N GLY A 12 5.897 7.500 5.754 1.00 1.11 N ATOM 172 CA GLY A 12 6.229 8.584 4.838 1.00 1.27 C ATOM 173 C GLY A 12 5.039 9.478 4.520 1.00 1.14 C ATOM 174 O GLY A 12 5.175 10.698 4.492 1.00 1.35 O ATOM 0 H GLY A 12 4.900 7.379 5.930 1.00 1.11 H new ATOM 0 HA2 GLY A 12 7.025 9.189 5.272 1.00 1.27 H new ATOM 0 HA3 GLY A 12 6.618 8.163 3.911 1.00 1.27 H new ATOM 178 N MET A 13 3.873 8.881 4.258 1.00 1.21 N ATOM 179 CA MET A 13 2.664 9.642 4.001 1.00 1.19 C ATOM 180 C MET A 13 2.368 10.519 5.221 1.00 1.16 C ATOM 181 O MET A 13 2.454 10.052 6.357 1.00 1.90 O ATOM 182 CB MET A 13 1.527 8.685 3.603 1.00 1.55 C ATOM 183 CG MET A 13 0.935 7.904 4.775 1.00 0.83 C ATOM 184 SD MET A 13 -0.346 8.803 5.685 1.00 2.73 S ATOM 185 CE MET A 13 -0.145 8.031 7.297 1.00 2.66 C ATOM 0 H MET A 13 3.749 7.869 4.220 1.00 1.21 H new ATOM 0 HA MET A 13 2.781 10.320 3.156 1.00 1.19 H new ATOM 0 HB2 MET A 13 0.734 9.259 3.124 1.00 1.55 H new ATOM 0 HB3 MET A 13 1.902 7.979 2.862 1.00 1.55 H new ATOM 0 HG2 MET A 13 0.514 6.971 4.401 1.00 0.83 H new ATOM 0 HG3 MET A 13 1.737 7.638 5.464 1.00 0.83 H new ATOM 0 HE1 MET A 13 -0.465 8.724 8.075 1.00 2.66 H new ATOM 0 HE2 MET A 13 -0.752 7.127 7.345 1.00 2.66 H new ATOM 0 HE3 MET A 13 0.903 7.773 7.449 1.00 2.66 H new ATOM 195 N THR A 14 2.093 11.801 4.987 1.00 0.86 N ATOM 196 CA THR A 14 1.892 12.774 6.046 1.00 0.90 C ATOM 197 C THR A 14 0.404 12.904 6.372 1.00 1.08 C ATOM 198 O THR A 14 0.007 12.755 7.526 1.00 1.79 O ATOM 199 CB THR A 14 2.477 14.114 5.588 1.00 1.15 C ATOM 200 OG1 THR A 14 1.955 14.413 4.310 1.00 3.27 O ATOM 201 CG2 THR A 14 4.004 14.042 5.488 1.00 1.63 C ATOM 0 H THR A 14 2.004 12.191 4.049 1.00 0.86 H new ATOM 0 HA THR A 14 2.398 12.451 6.956 1.00 0.90 H new ATOM 0 HB THR A 14 2.211 14.882 6.314 1.00 1.15 H new ATOM 0 HG1 THR A 14 2.318 15.269 4.001 1.00 3.27 H new ATOM 0 HG21 THR A 14 4.393 15.006 5.161 1.00 1.63 H new ATOM 0 HG22 THR A 14 4.421 13.794 6.464 1.00 1.63 H new ATOM 0 HG23 THR A 14 4.286 13.274 4.768 1.00 1.63 H new ATOM 209 N CYS A 15 -0.399 13.244 5.359 1.00 0.69 N ATOM 210 CA CYS A 15 -1.734 13.803 5.543 1.00 0.63 C ATOM 211 C CYS A 15 -2.768 13.143 4.629 1.00 0.56 C ATOM 212 O CYS A 15 -2.436 12.316 3.780 1.00 0.59 O ATOM 213 CB CYS A 15 -1.661 15.315 5.292 1.00 0.62 C ATOM 214 SG CYS A 15 -1.417 15.787 3.560 1.00 0.67 S ATOM 0 H CYS A 15 -0.134 13.136 4.380 1.00 0.69 H new ATOM 0 HA CYS A 15 -2.064 13.607 6.563 1.00 0.63 H new ATOM 0 HB2 CYS A 15 -2.582 15.774 5.653 1.00 0.62 H new ATOM 0 HB3 CYS A 15 -0.845 15.729 5.885 1.00 0.62 H new ATOM 219 N ALA A 16 -4.032 13.559 4.784 1.00 0.54 N ATOM 220 CA ALA A 16 -5.159 13.112 3.971 1.00 0.56 C ATOM 221 C ALA A 16 -4.820 13.106 2.481 1.00 0.54 C ATOM 222 O ALA A 16 -5.168 12.163 1.772 1.00 0.59 O ATOM 223 CB ALA A 16 -6.372 14.013 4.223 1.00 0.63 C ATOM 0 H ALA A 16 -4.301 14.234 5.500 1.00 0.54 H new ATOM 0 HA ALA A 16 -5.391 12.088 4.263 1.00 0.56 H new ATOM 0 HB1 ALA A 16 -7.210 13.674 3.613 1.00 0.63 H new ATOM 0 HB2 ALA A 16 -6.648 13.966 5.277 1.00 0.63 H new ATOM 0 HB3 ALA A 16 -6.123 15.041 3.959 1.00 0.63 H new ATOM 229 N SER A 17 -4.141 14.162 2.016 1.00 0.52 N ATOM 230 CA SER A 17 -3.693 14.270 0.636 1.00 0.56 C ATOM 231 C SER A 17 -2.865 13.038 0.264 1.00 0.61 C ATOM 232 O SER A 17 -3.108 12.406 -0.760 1.00 0.89 O ATOM 233 CB SER A 17 -2.903 15.567 0.415 1.00 0.68 C ATOM 234 OG SER A 17 -2.769 15.832 -0.968 1.00 2.44 O ATOM 0 H SER A 17 -3.890 14.964 2.594 1.00 0.52 H new ATOM 0 HA SER A 17 -4.564 14.310 -0.018 1.00 0.56 H new ATOM 0 HB2 SER A 17 -3.412 16.398 0.904 1.00 0.68 H new ATOM 0 HB3 SER A 17 -1.917 15.483 0.873 1.00 0.68 H new ATOM 0 HG SER A 17 -2.265 16.663 -1.095 1.00 2.44 H new ATOM 240 N CYS A 18 -1.902 12.671 1.112 1.00 0.50 N ATOM 241 CA CYS A 18 -1.071 11.511 0.868 1.00 0.48 C ATOM 242 C CYS A 18 -1.887 10.223 0.957 1.00 0.42 C ATOM 243 O CYS A 18 -1.715 9.332 0.130 1.00 0.53 O ATOM 244 CB CYS A 18 0.131 11.516 1.804 1.00 0.57 C ATOM 245 SG CYS A 18 1.188 12.972 1.617 1.00 0.82 S ATOM 0 H CYS A 18 -1.685 13.169 1.975 1.00 0.50 H new ATOM 0 HA CYS A 18 -0.685 11.558 -0.150 1.00 0.48 H new ATOM 0 HB2 CYS A 18 -0.221 11.463 2.834 1.00 0.57 H new ATOM 0 HB3 CYS A 18 0.725 10.620 1.624 1.00 0.57 H new ATOM 250 N VAL A 19 -2.786 10.129 1.938 1.00 0.45 N ATOM 251 CA VAL A 19 -3.675 8.981 2.082 1.00 0.51 C ATOM 252 C VAL A 19 -4.437 8.724 0.769 1.00 0.49 C ATOM 253 O VAL A 19 -4.263 7.674 0.147 1.00 0.50 O ATOM 254 CB VAL A 19 -4.599 9.178 3.302 1.00 0.60 C ATOM 255 CG1 VAL A 19 -5.643 8.071 3.474 1.00 0.73 C ATOM 256 CG2 VAL A 19 -3.776 9.219 4.596 1.00 0.67 C ATOM 0 H VAL A 19 -2.916 10.846 2.652 1.00 0.45 H new ATOM 0 HA VAL A 19 -3.092 8.081 2.276 1.00 0.51 H new ATOM 0 HB VAL A 19 -5.117 10.118 3.113 1.00 0.60 H new ATOM 0 HG11 VAL A 19 -6.254 8.280 4.352 1.00 0.73 H new ATOM 0 HG12 VAL A 19 -6.280 8.031 2.590 1.00 0.73 H new ATOM 0 HG13 VAL A 19 -5.140 7.113 3.602 1.00 0.73 H new ATOM 0 HG21 VAL A 19 -4.443 9.359 5.447 1.00 0.67 H new ATOM 0 HG22 VAL A 19 -3.232 8.281 4.711 1.00 0.67 H new ATOM 0 HG23 VAL A 19 -3.068 10.046 4.551 1.00 0.67 H new ATOM 266 N HIS A 20 -5.290 9.656 0.324 1.00 0.52 N ATOM 267 CA HIS A 20 -6.091 9.383 -0.870 1.00 0.57 C ATOM 268 C HIS A 20 -5.244 9.369 -2.151 1.00 0.54 C ATOM 269 O HIS A 20 -5.602 8.682 -3.107 1.00 0.59 O ATOM 270 CB HIS A 20 -7.377 10.222 -0.946 1.00 0.68 C ATOM 271 CG HIS A 20 -7.259 11.580 -1.583 1.00 0.69 C ATOM 272 ND1 HIS A 20 -8.159 12.147 -2.458 1.00 0.81 N ATOM 273 CD2 HIS A 20 -6.306 12.518 -1.317 1.00 0.76 C ATOM 274 CE1 HIS A 20 -7.738 13.397 -2.714 1.00 0.84 C ATOM 275 NE2 HIS A 20 -6.609 13.672 -2.042 1.00 0.89 N ATOM 0 H HIS A 20 -5.439 10.569 0.754 1.00 0.52 H new ATOM 0 HA HIS A 20 -6.461 8.362 -0.774 1.00 0.57 H new ATOM 0 HB2 HIS A 20 -8.124 9.651 -1.497 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -7.759 10.353 0.067 1.00 0.68 H new ATOM 0 HD2 HIS A 20 -5.460 12.390 -0.658 1.00 0.76 H new ATOM 0 HE1 HIS A 20 -8.241 14.089 -3.373 1.00 0.84 H new ATOM 0 HE2 HIS A 20 -6.081 14.545 -2.058 1.00 0.89 H new ATOM 283 N LYS A 21 -4.106 10.076 -2.176 1.00 0.50 N ATOM 284 CA LYS A 21 -3.097 9.918 -3.222 1.00 0.47 C ATOM 285 C LYS A 21 -2.674 8.448 -3.314 1.00 0.39 C ATOM 286 O LYS A 21 -2.717 7.880 -4.407 1.00 0.46 O ATOM 287 CB LYS A 21 -1.921 10.863 -2.932 1.00 0.52 C ATOM 288 CG LYS A 21 -0.628 10.679 -3.738 1.00 0.83 C ATOM 289 CD LYS A 21 0.399 11.697 -3.204 1.00 1.34 C ATOM 290 CE LYS A 21 1.838 11.358 -3.619 1.00 2.37 C ATOM 291 NZ LYS A 21 2.844 12.036 -2.770 1.00 3.52 N ATOM 0 H LYS A 21 -3.863 10.772 -1.471 1.00 0.50 H new ATOM 0 HA LYS A 21 -3.502 10.190 -4.196 1.00 0.47 H new ATOM 0 HB2 LYS A 21 -2.268 11.884 -3.088 1.00 0.52 H new ATOM 0 HB3 LYS A 21 -1.671 10.769 -1.875 1.00 0.52 H new ATOM 0 HG2 LYS A 21 -0.251 9.662 -3.631 1.00 0.83 H new ATOM 0 HG3 LYS A 21 -0.812 10.841 -4.800 1.00 0.83 H new ATOM 0 HD2 LYS A 21 0.144 12.691 -3.571 1.00 1.34 H new ATOM 0 HD3 LYS A 21 0.337 11.733 -2.116 1.00 1.34 H new ATOM 0 HE2 LYS A 21 1.985 10.280 -3.562 1.00 2.37 H new ATOM 0 HE3 LYS A 21 1.991 11.646 -4.659 1.00 2.37 H new ATOM 0 HZ1 LYS A 21 3.752 12.078 -3.275 1.00 3.52 H new ATOM 0 HZ2 LYS A 21 2.523 13.001 -2.555 1.00 3.52 H new ATOM 0 HZ3 LYS A 21 2.964 11.506 -1.884 1.00 3.52 H new ATOM 305 N ILE A 22 -2.278 7.825 -2.194 1.00 0.35 N ATOM 306 CA ILE A 22 -1.954 6.400 -2.175 1.00 0.40 C ATOM 307 C ILE A 22 -3.119 5.621 -2.777 1.00 0.44 C ATOM 308 O ILE A 22 -2.948 4.992 -3.821 1.00 0.47 O ATOM 309 CB ILE A 22 -1.577 5.892 -0.762 1.00 0.53 C ATOM 310 CG1 ILE A 22 -0.200 6.448 -0.375 1.00 0.61 C ATOM 311 CG2 ILE A 22 -1.527 4.353 -0.716 1.00 0.82 C ATOM 312 CD1 ILE A 22 0.142 6.287 1.107 1.00 0.78 C ATOM 0 H ILE A 22 -2.176 8.290 -1.292 1.00 0.35 H new ATOM 0 HA ILE A 22 -1.063 6.237 -2.781 1.00 0.40 H new ATOM 0 HB ILE A 22 -2.339 6.235 -0.062 1.00 0.53 H new ATOM 0 HG12 ILE A 22 0.563 5.946 -0.970 1.00 0.61 H new ATOM 0 HG13 ILE A 22 -0.161 7.506 -0.633 1.00 0.61 H new ATOM 0 HG21 ILE A 22 -1.260 4.028 0.289 1.00 0.82 H new ATOM 0 HG22 ILE A 22 -2.504 3.949 -0.980 1.00 0.82 H new ATOM 0 HG23 ILE A 22 -0.782 3.992 -1.425 1.00 0.82 H new ATOM 0 HD11 ILE A 22 1.130 6.704 1.300 1.00 0.78 H new ATOM 0 HD12 ILE A 22 -0.598 6.813 1.710 1.00 0.78 H new ATOM 0 HD13 ILE A 22 0.138 5.229 1.369 1.00 0.78 H new ATOM 324 N GLU A 23 -4.294 5.659 -2.142 1.00 0.52 N ATOM 325 CA GLU A 23 -5.393 4.797 -2.562 1.00 0.61 C ATOM 326 C GLU A 23 -5.735 5.010 -4.029 1.00 0.58 C ATOM 327 O GLU A 23 -5.775 4.047 -4.795 1.00 0.66 O ATOM 328 CB GLU A 23 -6.620 4.955 -1.662 1.00 0.76 C ATOM 329 CG GLU A 23 -6.214 4.649 -0.220 1.00 1.40 C ATOM 330 CD GLU A 23 -7.376 4.232 0.670 1.00 2.17 C ATOM 331 OE1 GLU A 23 -8.515 4.631 0.350 1.00 2.52 O ATOM 332 OE2 GLU A 23 -7.087 3.517 1.655 1.00 3.58 O ATOM 0 H GLU A 23 -4.503 6.267 -1.350 1.00 0.52 H new ATOM 0 HA GLU A 23 -5.055 3.766 -2.453 1.00 0.61 H new ATOM 0 HB2 GLU A 23 -7.015 5.968 -1.736 1.00 0.76 H new ATOM 0 HB3 GLU A 23 -7.413 4.279 -1.983 1.00 0.76 H new ATOM 0 HG2 GLU A 23 -5.468 3.855 -0.223 1.00 1.40 H new ATOM 0 HG3 GLU A 23 -5.739 5.531 0.209 1.00 1.40 H new ATOM 339 N SER A 24 -5.949 6.258 -4.449 1.00 0.54 N ATOM 340 CA SER A 24 -6.252 6.520 -5.843 1.00 0.58 C ATOM 341 C SER A 24 -5.129 6.003 -6.738 1.00 0.53 C ATOM 342 O SER A 24 -5.428 5.391 -7.757 1.00 0.64 O ATOM 343 CB SER A 24 -6.565 7.994 -6.118 1.00 0.72 C ATOM 344 OG SER A 24 -7.065 8.128 -7.449 1.00 0.98 O ATOM 0 H SER A 24 -5.918 7.084 -3.851 1.00 0.54 H new ATOM 0 HA SER A 24 -7.164 5.974 -6.084 1.00 0.58 H new ATOM 0 HB2 SER A 24 -7.300 8.362 -5.402 1.00 0.72 H new ATOM 0 HB3 SER A 24 -5.667 8.599 -5.992 1.00 0.72 H new ATOM 0 HG SER A 24 -7.268 9.070 -7.629 1.00 0.98 H new ATOM 350 N SER A 25 -3.856 6.213 -6.400 1.00 0.46 N ATOM 351 CA SER A 25 -2.779 5.802 -7.288 1.00 0.48 C ATOM 352 C SER A 25 -2.831 4.281 -7.425 1.00 0.52 C ATOM 353 O SER A 25 -2.998 3.738 -8.516 1.00 0.71 O ATOM 354 CB SER A 25 -1.435 6.306 -6.744 1.00 0.48 C ATOM 355 OG SER A 25 -0.385 5.997 -7.638 1.00 1.25 O ATOM 0 H SER A 25 -3.553 6.657 -5.533 1.00 0.46 H new ATOM 0 HA SER A 25 -2.894 6.238 -8.280 1.00 0.48 H new ATOM 0 HB2 SER A 25 -1.481 7.384 -6.589 1.00 0.48 H new ATOM 0 HB3 SER A 25 -1.237 5.852 -5.773 1.00 0.48 H new ATOM 0 HG SER A 25 0.147 6.802 -7.808 1.00 1.25 H new ATOM 361 N LEU A 26 -2.767 3.605 -6.282 1.00 0.49 N ATOM 362 CA LEU A 26 -2.710 2.163 -6.218 1.00 0.58 C ATOM 363 C LEU A 26 -3.914 1.506 -6.892 1.00 0.55 C ATOM 364 O LEU A 26 -3.741 0.553 -7.646 1.00 0.57 O ATOM 365 CB LEU A 26 -2.596 1.731 -4.761 1.00 0.70 C ATOM 366 CG LEU A 26 -1.156 1.525 -4.275 1.00 0.84 C ATOM 367 CD1 LEU A 26 -0.396 0.410 -5.001 1.00 2.42 C ATOM 368 CD2 LEU A 26 -0.328 2.814 -4.295 1.00 2.39 C ATOM 0 H LEU A 26 -2.754 4.056 -5.367 1.00 0.49 H new ATOM 0 HA LEU A 26 -1.830 1.830 -6.768 1.00 0.58 H new ATOM 0 HB2 LEU A 26 -3.075 2.482 -4.133 1.00 0.70 H new ATOM 0 HB3 LEU A 26 -3.149 0.802 -4.625 1.00 0.70 H new ATOM 0 HG LEU A 26 -1.282 1.206 -3.240 1.00 0.84 H new ATOM 0 HD11 LEU A 26 0.613 0.333 -4.595 1.00 2.42 H new ATOM 0 HD12 LEU A 26 -0.917 -0.537 -4.860 1.00 2.42 H new ATOM 0 HD13 LEU A 26 -0.342 0.640 -6.065 1.00 2.42 H new ATOM 0 HD21 LEU A 26 0.681 2.604 -3.940 1.00 2.39 H new ATOM 0 HD22 LEU A 26 -0.282 3.201 -5.313 1.00 2.39 H new ATOM 0 HD23 LEU A 26 -0.794 3.556 -3.646 1.00 2.39 H new ATOM 380 N THR A 27 -5.131 1.998 -6.639 1.00 0.56 N ATOM 381 CA THR A 27 -6.342 1.405 -7.205 1.00 0.59 C ATOM 382 C THR A 27 -6.335 1.380 -8.736 1.00 0.61 C ATOM 383 O THR A 27 -7.116 0.638 -9.327 1.00 1.00 O ATOM 384 CB THR A 27 -7.610 2.095 -6.679 1.00 0.75 C ATOM 385 OG1 THR A 27 -7.517 3.495 -6.848 1.00 2.11 O ATOM 386 CG2 THR A 27 -7.879 1.750 -5.210 1.00 1.50 C ATOM 0 H THR A 27 -5.301 2.808 -6.043 1.00 0.56 H new ATOM 0 HA THR A 27 -6.351 0.368 -6.870 1.00 0.59 H new ATOM 0 HB THR A 27 -8.452 1.723 -7.263 1.00 0.75 H new ATOM 0 HG1 THR A 27 -6.939 3.871 -6.152 1.00 2.11 H new ATOM 0 HG21 THR A 27 -8.784 2.258 -4.877 1.00 1.50 H new ATOM 0 HG22 THR A 27 -8.009 0.673 -5.107 1.00 1.50 H new ATOM 0 HG23 THR A 27 -7.036 2.074 -4.600 1.00 1.50 H new ATOM 394 N LYS A 28 -5.476 2.164 -9.399 1.00 0.66 N ATOM 395 CA LYS A 28 -5.352 2.056 -10.844 1.00 0.67 C ATOM 396 C LYS A 28 -4.774 0.694 -11.248 1.00 0.65 C ATOM 397 O LYS A 28 -5.074 0.210 -12.339 1.00 0.83 O ATOM 398 CB LYS A 28 -4.541 3.224 -11.424 1.00 0.86 C ATOM 399 CG LYS A 28 -5.039 4.613 -10.983 1.00 2.09 C ATOM 400 CD LYS A 28 -6.503 4.933 -11.346 1.00 3.68 C ATOM 401 CE LYS A 28 -6.978 6.259 -10.714 1.00 5.46 C ATOM 402 NZ LYS A 28 -7.391 6.097 -9.301 1.00 6.85 N ATOM 0 H LYS A 28 -4.873 2.862 -8.964 1.00 0.66 H new ATOM 0 HA LYS A 28 -6.352 2.121 -11.274 1.00 0.67 H new ATOM 0 HB2 LYS A 28 -3.498 3.112 -11.126 1.00 0.86 H new ATOM 0 HB3 LYS A 28 -4.570 3.168 -12.512 1.00 0.86 H new ATOM 0 HG2 LYS A 28 -4.923 4.696 -9.902 1.00 2.09 H new ATOM 0 HG3 LYS A 28 -4.397 5.371 -11.432 1.00 2.09 H new ATOM 0 HD2 LYS A 28 -6.604 4.991 -12.430 1.00 3.68 H new ATOM 0 HD3 LYS A 28 -7.146 4.120 -11.009 1.00 3.68 H new ATOM 0 HE2 LYS A 28 -6.175 6.994 -10.773 1.00 5.46 H new ATOM 0 HE3 LYS A 28 -7.814 6.654 -11.291 1.00 5.46 H new ATOM 0 HZ1 LYS A 28 -7.342 7.016 -8.817 1.00 6.85 H new ATOM 0 HZ2 LYS A 28 -8.366 5.737 -9.263 1.00 6.85 H new ATOM 0 HZ3 LYS A 28 -6.755 5.423 -8.829 1.00 6.85 H new ATOM 416 N HIS A 29 -3.959 0.055 -10.399 1.00 0.55 N ATOM 417 CA HIS A 29 -3.417 -1.254 -10.732 1.00 0.67 C ATOM 418 C HIS A 29 -4.449 -2.317 -10.359 1.00 0.91 C ATOM 419 O HIS A 29 -4.600 -2.634 -9.186 1.00 1.76 O ATOM 420 CB HIS A 29 -2.087 -1.482 -10.004 1.00 0.70 C ATOM 421 CG HIS A 29 -1.203 -0.264 -9.978 1.00 0.85 C ATOM 422 ND1 HIS A 29 -0.895 0.559 -11.039 1.00 2.01 N ATOM 423 CD2 HIS A 29 -0.825 0.383 -8.838 1.00 0.89 C ATOM 424 CE1 HIS A 29 -0.327 1.669 -10.532 1.00 2.09 C ATOM 425 NE2 HIS A 29 -0.265 1.610 -9.195 1.00 1.17 N ATOM 0 H HIS A 29 -3.668 0.421 -9.493 1.00 0.55 H new ATOM 0 HA HIS A 29 -3.213 -1.316 -11.801 1.00 0.67 H new ATOM 0 HB2 HIS A 29 -2.291 -1.796 -8.980 1.00 0.70 H new ATOM 0 HB3 HIS A 29 -1.552 -2.300 -10.487 1.00 0.70 H new ATOM 0 HD1 HIS A 29 -1.066 0.364 -12.025 1.00 2.01 H new ATOM 0 HD2 HIS A 29 -0.940 0.009 -7.831 1.00 0.89 H new ATOM 0 HE1 HIS A 29 0.031 2.498 -11.125 1.00 2.09 H new ATOM 433 N ARG A 30 -5.140 -2.904 -11.339 1.00 0.85 N ATOM 434 CA ARG A 30 -6.155 -3.927 -11.078 1.00 1.05 C ATOM 435 C ARG A 30 -5.620 -5.136 -10.298 1.00 1.03 C ATOM 436 O ARG A 30 -6.404 -5.906 -9.753 1.00 1.87 O ATOM 437 CB ARG A 30 -6.779 -4.411 -12.392 1.00 1.47 C ATOM 438 CG ARG A 30 -7.563 -3.318 -13.126 1.00 2.03 C ATOM 439 CD ARG A 30 -8.242 -3.935 -14.354 1.00 2.73 C ATOM 440 NE ARG A 30 -9.047 -2.943 -15.085 1.00 3.69 N ATOM 441 CZ ARG A 30 -9.793 -3.219 -16.167 1.00 4.74 C ATOM 442 NH1 ARG A 30 -9.822 -4.465 -16.654 1.00 5.16 N ATOM 443 NH2 ARG A 30 -10.507 -2.253 -16.755 1.00 5.96 N ATOM 0 H ARG A 30 -5.013 -2.686 -12.327 1.00 0.85 H new ATOM 0 HA ARG A 30 -6.908 -3.447 -10.453 1.00 1.05 H new ATOM 0 HB2 ARG A 30 -5.991 -4.785 -13.045 1.00 1.47 H new ATOM 0 HB3 ARG A 30 -7.444 -5.249 -12.184 1.00 1.47 H new ATOM 0 HG2 ARG A 30 -8.309 -2.879 -12.463 1.00 2.03 H new ATOM 0 HG3 ARG A 30 -6.894 -2.513 -13.430 1.00 2.03 H new ATOM 0 HD2 ARG A 30 -7.485 -4.351 -15.019 1.00 2.73 H new ATOM 0 HD3 ARG A 30 -8.879 -4.762 -14.041 1.00 2.73 H new ATOM 0 HE ARG A 30 -9.038 -1.981 -14.747 1.00 3.69 H new ATOM 0 HH11 ARG A 30 -9.279 -5.201 -16.204 1.00 5.16 H new ATOM 0 HH12 ARG A 30 -10.387 -4.678 -17.476 1.00 5.16 H new ATOM 0 HH21 ARG A 30 -10.486 -1.304 -16.382 1.00 5.96 H new ATOM 0 HH22 ARG A 30 -11.073 -2.465 -17.577 1.00 5.96 H new ATOM 457 N GLY A 31 -4.298 -5.327 -10.260 1.00 0.68 N ATOM 458 CA GLY A 31 -3.689 -6.347 -9.426 1.00 0.69 C ATOM 459 C GLY A 31 -3.941 -6.100 -7.937 1.00 0.65 C ATOM 460 O GLY A 31 -3.963 -7.057 -7.166 1.00 0.89 O ATOM 0 H GLY A 31 -3.631 -4.780 -10.805 1.00 0.68 H new ATOM 0 HA2 GLY A 31 -4.084 -7.324 -9.703 1.00 0.69 H new ATOM 0 HA3 GLY A 31 -2.615 -6.373 -9.612 1.00 0.69 H new ATOM 464 N ILE A 32 -4.130 -4.844 -7.505 1.00 0.76 N ATOM 465 CA ILE A 32 -4.599 -4.585 -6.154 1.00 0.73 C ATOM 466 C ILE A 32 -6.121 -4.684 -6.146 1.00 0.75 C ATOM 467 O ILE A 32 -6.779 -4.356 -7.131 1.00 0.95 O ATOM 468 CB ILE A 32 -4.010 -3.304 -5.536 1.00 0.93 C ATOM 469 CG1 ILE A 32 -4.704 -1.969 -5.843 1.00 1.59 C ATOM 470 CG2 ILE A 32 -2.514 -3.213 -5.856 1.00 1.56 C ATOM 471 CD1 ILE A 32 -6.054 -1.816 -5.136 1.00 2.47 C ATOM 0 H ILE A 32 -3.966 -4.010 -8.069 1.00 0.76 H new ATOM 0 HA ILE A 32 -4.219 -5.349 -5.476 1.00 0.73 H new ATOM 0 HB ILE A 32 -4.196 -3.431 -4.470 1.00 0.93 H new ATOM 0 HG12 ILE A 32 -4.050 -1.150 -5.545 1.00 1.59 H new ATOM 0 HG13 ILE A 32 -4.853 -1.883 -6.919 1.00 1.59 H new ATOM 0 HG21 ILE A 32 -2.102 -2.305 -5.416 1.00 1.56 H new ATOM 0 HG22 ILE A 32 -2.000 -4.081 -5.443 1.00 1.56 H new ATOM 0 HG23 ILE A 32 -2.374 -3.189 -6.937 1.00 1.56 H new ATOM 0 HD11 ILE A 32 -6.493 -0.852 -5.394 1.00 2.47 H new ATOM 0 HD12 ILE A 32 -6.723 -2.616 -5.453 1.00 2.47 H new ATOM 0 HD13 ILE A 32 -5.908 -1.871 -4.057 1.00 2.47 H new ATOM 483 N LEU A 33 -6.666 -5.180 -5.039 1.00 0.74 N ATOM 484 CA LEU A 33 -8.058 -5.574 -4.908 1.00 0.68 C ATOM 485 C LEU A 33 -8.788 -4.589 -3.999 1.00 0.62 C ATOM 486 O LEU A 33 -9.937 -4.240 -4.260 1.00 0.69 O ATOM 487 CB LEU A 33 -8.129 -7.002 -4.348 1.00 0.74 C ATOM 488 CG LEU A 33 -7.305 -8.026 -5.153 1.00 1.22 C ATOM 489 CD1 LEU A 33 -7.352 -9.384 -4.447 1.00 2.01 C ATOM 490 CD2 LEU A 33 -7.810 -8.172 -6.593 1.00 1.52 C ATOM 0 H LEU A 33 -6.130 -5.322 -4.183 1.00 0.74 H new ATOM 0 HA LEU A 33 -8.544 -5.559 -5.883 1.00 0.68 H new ATOM 0 HB2 LEU A 33 -7.777 -6.996 -3.317 1.00 0.74 H new ATOM 0 HB3 LEU A 33 -9.170 -7.323 -4.327 1.00 0.74 H new ATOM 0 HG LEU A 33 -6.279 -7.662 -5.203 1.00 1.22 H new ATOM 0 HD11 LEU A 33 -6.770 -10.110 -5.015 1.00 2.01 H new ATOM 0 HD12 LEU A 33 -6.934 -9.288 -3.445 1.00 2.01 H new ATOM 0 HD13 LEU A 33 -8.386 -9.723 -4.378 1.00 2.01 H new ATOM 0 HD21 LEU A 33 -7.198 -8.904 -7.121 1.00 1.52 H new ATOM 0 HD22 LEU A 33 -8.848 -8.506 -6.583 1.00 1.52 H new ATOM 0 HD23 LEU A 33 -7.744 -7.210 -7.101 1.00 1.52 H new ATOM 502 N TYR A 34 -8.128 -4.140 -2.927 1.00 0.60 N ATOM 503 CA TYR A 34 -8.678 -3.161 -2.007 1.00 0.63 C ATOM 504 C TYR A 34 -7.513 -2.453 -1.334 1.00 0.67 C ATOM 505 O TYR A 34 -6.468 -3.073 -1.142 1.00 0.71 O ATOM 506 CB TYR A 34 -9.550 -3.864 -0.959 1.00 0.64 C ATOM 507 CG TYR A 34 -10.280 -2.947 0.002 1.00 0.72 C ATOM 508 CD1 TYR A 34 -11.147 -1.952 -0.484 1.00 1.79 C ATOM 509 CD2 TYR A 34 -10.149 -3.143 1.390 1.00 1.73 C ATOM 510 CE1 TYR A 34 -11.855 -1.134 0.414 1.00 1.95 C ATOM 511 CE2 TYR A 34 -10.903 -2.366 2.282 1.00 1.83 C ATOM 512 CZ TYR A 34 -11.734 -1.342 1.798 1.00 1.23 C ATOM 513 OH TYR A 34 -12.459 -0.587 2.670 1.00 1.62 O ATOM 0 H TYR A 34 -7.190 -4.453 -2.678 1.00 0.60 H new ATOM 0 HA TYR A 34 -9.300 -2.441 -2.538 1.00 0.63 H new ATOM 0 HB2 TYR A 34 -10.286 -4.479 -1.477 1.00 0.64 H new ATOM 0 HB3 TYR A 34 -8.920 -4.540 -0.381 1.00 0.64 H new ATOM 0 HD1 TYR A 34 -11.269 -1.816 -1.548 1.00 1.79 H new ATOM 0 HD2 TYR A 34 -9.468 -3.891 1.768 1.00 1.73 H new ATOM 0 HE1 TYR A 34 -12.492 -0.346 0.040 1.00 1.95 H new ATOM 0 HE2 TYR A 34 -10.844 -2.556 3.344 1.00 1.83 H new ATOM 0 HH TYR A 34 -12.256 -0.862 3.588 1.00 1.62 H new ATOM 523 N CYS A 35 -7.705 -1.186 -0.968 1.00 0.72 N ATOM 524 CA CYS A 35 -6.753 -0.396 -0.202 1.00 0.77 C ATOM 525 C CYS A 35 -7.478 0.135 1.032 1.00 0.82 C ATOM 526 O CYS A 35 -8.687 0.361 0.987 1.00 1.31 O ATOM 527 CB CYS A 35 -6.215 0.767 -1.043 1.00 1.03 C ATOM 528 SG CYS A 35 -5.058 0.185 -2.303 1.00 2.01 S ATOM 0 H CYS A 35 -8.552 -0.670 -1.205 1.00 0.72 H new ATOM 0 HA CYS A 35 -5.902 -1.012 0.090 1.00 0.77 H new ATOM 0 HB2 CYS A 35 -7.045 1.288 -1.521 1.00 1.03 H new ATOM 0 HB3 CYS A 35 -5.717 1.488 -0.394 1.00 1.03 H new ATOM 0 HG CYS A 35 -4.626 1.197 -2.996 1.00 2.01 H new ATOM 534 N SER A 36 -6.757 0.282 2.143 1.00 0.64 N ATOM 535 CA SER A 36 -7.225 0.922 3.362 1.00 0.71 C ATOM 536 C SER A 36 -6.020 1.463 4.132 1.00 0.69 C ATOM 537 O SER A 36 -5.509 0.790 5.041 1.00 0.97 O ATOM 538 CB SER A 36 -8.030 -0.073 4.200 1.00 0.81 C ATOM 539 OG SER A 36 -9.300 -0.271 3.627 1.00 2.02 O ATOM 0 H SER A 36 -5.797 -0.055 2.217 1.00 0.64 H new ATOM 0 HA SER A 36 -7.885 1.755 3.121 1.00 0.71 H new ATOM 0 HB2 SER A 36 -7.498 -1.022 4.262 1.00 0.81 H new ATOM 0 HB3 SER A 36 -8.136 0.300 5.219 1.00 0.81 H new ATOM 0 HG SER A 36 -9.373 -1.193 3.304 1.00 2.02 H new ATOM 545 N VAL A 37 -5.580 2.674 3.780 1.00 0.54 N ATOM 546 CA VAL A 37 -4.551 3.401 4.522 1.00 0.63 C ATOM 547 C VAL A 37 -5.145 4.056 5.766 1.00 0.70 C ATOM 548 O VAL A 37 -6.354 4.263 5.858 1.00 0.88 O ATOM 549 CB VAL A 37 -3.762 4.415 3.660 1.00 0.90 C ATOM 550 CG1 VAL A 37 -2.473 3.815 3.099 1.00 1.63 C ATOM 551 CG2 VAL A 37 -4.553 4.933 2.469 1.00 1.75 C ATOM 0 H VAL A 37 -5.931 3.179 2.967 1.00 0.54 H new ATOM 0 HA VAL A 37 -3.816 2.660 4.837 1.00 0.63 H new ATOM 0 HB VAL A 37 -3.546 5.234 4.346 1.00 0.90 H new ATOM 0 HG11 VAL A 37 -1.953 4.564 2.501 1.00 1.63 H new ATOM 0 HG12 VAL A 37 -1.831 3.498 3.921 1.00 1.63 H new ATOM 0 HG13 VAL A 37 -2.714 2.955 2.474 1.00 1.63 H new ATOM 0 HG21 VAL A 37 -3.943 5.640 1.906 1.00 1.75 H new ATOM 0 HG22 VAL A 37 -4.829 4.098 1.825 1.00 1.75 H new ATOM 0 HG23 VAL A 37 -5.455 5.433 2.821 1.00 1.75 H new ATOM 561 N ALA A 38 -4.291 4.347 6.751 1.00 0.69 N ATOM 562 CA ALA A 38 -4.688 5.037 7.966 1.00 0.83 C ATOM 563 C ALA A 38 -3.500 5.767 8.571 1.00 0.90 C ATOM 564 O ALA A 38 -2.387 5.246 8.560 1.00 0.77 O ATOM 565 CB ALA A 38 -5.208 4.038 8.995 1.00 0.80 C ATOM 0 H ALA A 38 -3.300 4.106 6.721 1.00 0.69 H new ATOM 0 HA ALA A 38 -5.471 5.750 7.707 1.00 0.83 H new ATOM 0 HB1 ALA A 38 -5.502 4.568 9.901 1.00 0.80 H new ATOM 0 HB2 ALA A 38 -6.070 3.511 8.587 1.00 0.80 H new ATOM 0 HB3 ALA A 38 -4.424 3.320 9.234 1.00 0.80 H new ATOM 571 N LEU A 39 -3.776 6.930 9.164 1.00 1.37 N ATOM 572 CA LEU A 39 -2.839 7.699 9.965 1.00 1.53 C ATOM 573 C LEU A 39 -2.876 7.176 11.395 1.00 1.47 C ATOM 574 O LEU A 39 -1.836 6.971 12.012 1.00 1.50 O ATOM 575 CB LEU A 39 -3.190 9.194 9.930 1.00 2.08 C ATOM 576 CG LEU A 39 -3.499 9.726 8.517 1.00 0.90 C ATOM 577 CD1 LEU A 39 -5.010 9.936 8.333 1.00 2.67 C ATOM 578 CD2 LEU A 39 -2.787 11.060 8.289 1.00 1.06 C ATOM 0 H LEU A 39 -4.692 7.373 9.093 1.00 1.37 H new ATOM 0 HA LEU A 39 -1.835 7.586 9.557 1.00 1.53 H new ATOM 0 HB2 LEU A 39 -4.053 9.370 10.572 1.00 2.08 H new ATOM 0 HB3 LEU A 39 -2.360 9.763 10.349 1.00 2.08 H new ATOM 0 HG LEU A 39 -3.146 8.988 7.797 1.00 0.90 H new ATOM 0 HD11 LEU A 39 -5.205 10.312 7.329 1.00 2.67 H new ATOM 0 HD12 LEU A 39 -5.529 8.988 8.473 1.00 2.67 H new ATOM 0 HD13 LEU A 39 -5.369 10.658 9.067 1.00 2.67 H new ATOM 0 HD21 LEU A 39 -3.013 11.426 7.287 1.00 1.06 H new ATOM 0 HD22 LEU A 39 -3.129 11.786 9.027 1.00 1.06 H new ATOM 0 HD23 LEU A 39 -1.711 10.920 8.390 1.00 1.06 H new ATOM 590 N ALA A 40 -4.086 6.883 11.885 1.00 1.51 N ATOM 591 CA ALA A 40 -4.345 6.363 13.223 1.00 1.64 C ATOM 592 C ALA A 40 -3.568 5.080 13.526 1.00 1.63 C ATOM 593 O ALA A 40 -3.490 4.659 14.678 1.00 2.36 O ATOM 594 CB ALA A 40 -5.847 6.107 13.368 1.00 1.73 C ATOM 0 H ALA A 40 -4.938 7.007 11.338 1.00 1.51 H new ATOM 0 HA ALA A 40 -4.005 7.109 13.941 1.00 1.64 H new ATOM 0 HB1 ALA A 40 -6.055 5.718 14.365 1.00 1.73 H new ATOM 0 HB2 ALA A 40 -6.391 7.040 13.222 1.00 1.73 H new ATOM 0 HB3 ALA A 40 -6.166 5.381 12.621 1.00 1.73 H new ATOM 600 N THR A 41 -3.040 4.407 12.502 1.00 0.98 N ATOM 601 CA THR A 41 -2.151 3.266 12.678 1.00 0.91 C ATOM 602 C THR A 41 -1.020 3.302 11.636 1.00 0.89 C ATOM 603 O THR A 41 -0.389 2.285 11.377 1.00 1.27 O ATOM 604 CB THR A 41 -3.002 1.981 12.662 1.00 1.11 C ATOM 605 OG1 THR A 41 -4.194 2.193 13.395 1.00 2.20 O ATOM 606 CG2 THR A 41 -2.291 0.769 13.267 1.00 1.70 C ATOM 0 H THR A 41 -3.220 4.642 11.526 1.00 0.98 H new ATOM 0 HA THR A 41 -1.642 3.298 13.641 1.00 0.91 H new ATOM 0 HB THR A 41 -3.200 1.764 11.612 1.00 1.11 H new ATOM 0 HG1 THR A 41 -4.735 1.376 13.383 1.00 2.20 H new ATOM 0 HG21 THR A 41 -2.949 -0.099 13.222 1.00 1.70 H new ATOM 0 HG22 THR A 41 -1.380 0.563 12.705 1.00 1.70 H new ATOM 0 HG23 THR A 41 -2.036 0.978 14.306 1.00 1.70 H new ATOM 614 N ASN A 42 -0.761 4.481 11.050 1.00 0.88 N ATOM 615 CA ASN A 42 0.277 4.754 10.050 1.00 1.00 C ATOM 616 C ASN A 42 0.494 3.616 9.062 1.00 0.96 C ATOM 617 O ASN A 42 1.638 3.246 8.804 1.00 1.24 O ATOM 618 CB ASN A 42 1.591 5.118 10.752 1.00 1.14 C ATOM 619 CG ASN A 42 1.392 6.348 11.613 1.00 1.39 C ATOM 620 OD1 ASN A 42 1.498 6.297 12.834 1.00 2.24 O ATOM 621 ND2 ASN A 42 1.039 7.454 10.974 1.00 1.48 N ATOM 0 H ASN A 42 -1.302 5.315 11.276 1.00 0.88 H new ATOM 0 HA ASN A 42 -0.076 5.597 9.456 1.00 1.00 H new ATOM 0 HB2 ASN A 42 1.928 4.284 11.367 1.00 1.14 H new ATOM 0 HB3 ASN A 42 2.370 5.303 10.012 1.00 1.14 H new ATOM 0 HD21 ASN A 42 0.844 8.306 11.499 1.00 1.48 H new ATOM 0 HD22 ASN A 42 0.963 7.453 9.957 1.00 1.48 H new ATOM 628 N LYS A 43 -0.581 3.064 8.497 1.00 0.81 N ATOM 629 CA LYS A 43 -0.526 1.792 7.800 1.00 0.77 C ATOM 630 C LYS A 43 -1.262 1.853 6.486 1.00 0.70 C ATOM 631 O LYS A 43 -1.975 2.819 6.225 1.00 0.72 O ATOM 632 CB LYS A 43 -1.025 0.641 8.692 1.00 0.75 C ATOM 633 CG LYS A 43 -2.490 0.761 9.146 1.00 1.33 C ATOM 634 CD LYS A 43 -3.503 0.426 8.038 1.00 1.01 C ATOM 635 CE LYS A 43 -4.913 0.186 8.586 1.00 1.27 C ATOM 636 NZ LYS A 43 -5.829 -0.254 7.513 1.00 2.18 N ATOM 0 H LYS A 43 -1.508 3.490 8.513 1.00 0.81 H new ATOM 0 HA LYS A 43 0.519 1.584 7.569 1.00 0.77 H new ATOM 0 HB2 LYS A 43 -0.903 -0.297 8.151 1.00 0.75 H new ATOM 0 HB3 LYS A 43 -0.390 0.584 9.576 1.00 0.75 H new ATOM 0 HG2 LYS A 43 -2.656 0.095 9.993 1.00 1.33 H new ATOM 0 HG3 LYS A 43 -2.671 1.776 9.499 1.00 1.33 H new ATOM 0 HD2 LYS A 43 -3.531 1.243 7.317 1.00 1.01 H new ATOM 0 HD3 LYS A 43 -3.169 -0.462 7.501 1.00 1.01 H new ATOM 0 HE2 LYS A 43 -4.878 -0.569 9.372 1.00 1.27 H new ATOM 0 HE3 LYS A 43 -5.292 1.102 9.040 1.00 1.27 H new ATOM 0 HZ1 LYS A 43 -6.801 -0.296 7.881 1.00 2.18 H new ATOM 0 HZ2 LYS A 43 -5.787 0.421 6.723 1.00 2.18 H new ATOM 0 HZ3 LYS A 43 -5.545 -1.197 7.179 1.00 2.18 H new ATOM 650 N ALA A 44 -1.105 0.778 5.718 1.00 0.70 N ATOM 651 CA ALA A 44 -1.773 0.481 4.475 1.00 0.62 C ATOM 652 C ALA A 44 -2.075 -1.007 4.501 1.00 0.64 C ATOM 653 O ALA A 44 -1.153 -1.812 4.404 1.00 0.77 O ATOM 654 CB ALA A 44 -0.859 0.847 3.308 1.00 0.63 C ATOM 0 H ALA A 44 -0.452 0.039 5.979 1.00 0.70 H new ATOM 0 HA ALA A 44 -2.694 1.051 4.353 1.00 0.62 H new ATOM 0 HB1 ALA A 44 -1.362 0.623 2.367 1.00 0.63 H new ATOM 0 HB2 ALA A 44 -0.624 1.911 3.350 1.00 0.63 H new ATOM 0 HB3 ALA A 44 0.063 0.269 3.373 1.00 0.63 H new ATOM 660 N HIS A 45 -3.354 -1.355 4.666 1.00 0.62 N ATOM 661 CA HIS A 45 -3.832 -2.685 4.336 1.00 0.59 C ATOM 662 C HIS A 45 -4.196 -2.610 2.862 1.00 0.62 C ATOM 663 O HIS A 45 -5.085 -1.846 2.491 1.00 0.81 O ATOM 664 CB HIS A 45 -4.999 -3.076 5.249 1.00 0.60 C ATOM 665 CG HIS A 45 -5.504 -4.476 5.005 1.00 0.61 C ATOM 666 ND1 HIS A 45 -5.397 -5.553 5.861 1.00 0.77 N ATOM 667 CD2 HIS A 45 -6.138 -4.914 3.873 1.00 0.69 C ATOM 668 CE1 HIS A 45 -5.969 -6.606 5.257 1.00 0.88 C ATOM 669 NE2 HIS A 45 -6.435 -6.268 4.043 1.00 0.82 N ATOM 0 H HIS A 45 -4.072 -0.727 5.027 1.00 0.62 H new ATOM 0 HA HIS A 45 -3.092 -3.468 4.497 1.00 0.59 H new ATOM 0 HB2 HIS A 45 -4.684 -2.987 6.289 1.00 0.60 H new ATOM 0 HB3 HIS A 45 -5.818 -2.371 5.103 1.00 0.60 H new ATOM 0 HD1 HIS A 45 -4.963 -5.549 6.784 1.00 0.77 H new ATOM 0 HD2 HIS A 45 -6.368 -4.318 3.002 1.00 0.69 H new ATOM 0 HE1 HIS A 45 -6.045 -7.593 5.689 1.00 0.88 H new ATOM 677 N ILE A 46 -3.466 -3.352 2.034 1.00 0.58 N ATOM 678 CA ILE A 46 -3.661 -3.449 0.606 1.00 0.66 C ATOM 679 C ILE A 46 -3.866 -4.930 0.326 1.00 0.66 C ATOM 680 O ILE A 46 -2.955 -5.738 0.496 1.00 1.10 O ATOM 681 CB ILE A 46 -2.470 -2.841 -0.156 1.00 0.97 C ATOM 682 CG1 ILE A 46 -2.366 -1.347 0.204 1.00 1.90 C ATOM 683 CG2 ILE A 46 -2.668 -3.034 -1.668 1.00 1.36 C ATOM 684 CD1 ILE A 46 -1.205 -0.630 -0.483 1.00 1.99 C ATOM 0 H ILE A 46 -2.689 -3.925 2.364 1.00 0.58 H new ATOM 0 HA ILE A 46 -4.524 -2.879 0.261 1.00 0.66 H new ATOM 0 HB ILE A 46 -1.543 -3.340 0.127 1.00 0.97 H new ATOM 0 HG12 ILE A 46 -3.299 -0.851 -0.066 1.00 1.90 H new ATOM 0 HG13 ILE A 46 -2.254 -1.249 1.284 1.00 1.90 H new ATOM 0 HG21 ILE A 46 -1.823 -2.602 -2.204 1.00 1.36 H new ATOM 0 HG22 ILE A 46 -2.735 -4.098 -1.893 1.00 1.36 H new ATOM 0 HG23 ILE A 46 -3.587 -2.539 -1.981 1.00 1.36 H new ATOM 0 HD11 ILE A 46 -1.195 0.418 -0.182 1.00 1.99 H new ATOM 0 HD12 ILE A 46 -0.265 -1.100 -0.194 1.00 1.99 H new ATOM 0 HD13 ILE A 46 -1.326 -0.696 -1.564 1.00 1.99 H new ATOM 696 N LYS A 47 -5.083 -5.290 -0.067 1.00 0.60 N ATOM 697 CA LYS A 47 -5.377 -6.619 -0.557 1.00 0.61 C ATOM 698 C LYS A 47 -4.920 -6.670 -2.007 1.00 0.63 C ATOM 699 O LYS A 47 -5.185 -5.725 -2.751 1.00 0.81 O ATOM 700 CB LYS A 47 -6.879 -6.862 -0.436 1.00 0.67 C ATOM 701 CG LYS A 47 -7.277 -7.159 1.014 1.00 0.58 C ATOM 702 CD LYS A 47 -8.061 -8.473 1.161 1.00 0.99 C ATOM 703 CE LYS A 47 -7.275 -9.688 0.634 1.00 2.32 C ATOM 704 NZ LYS A 47 -7.830 -10.970 1.107 1.00 2.65 N ATOM 0 H LYS A 47 -5.889 -4.664 -0.052 1.00 0.60 H new ATOM 0 HA LYS A 47 -4.865 -7.393 0.014 1.00 0.61 H new ATOM 0 HB2 LYS A 47 -7.422 -5.987 -0.793 1.00 0.67 H new ATOM 0 HB3 LYS A 47 -7.167 -7.698 -1.074 1.00 0.67 H new ATOM 0 HG2 LYS A 47 -6.379 -7.207 1.630 1.00 0.58 H new ATOM 0 HG3 LYS A 47 -7.882 -6.336 1.395 1.00 0.58 H new ATOM 0 HD2 LYS A 47 -8.307 -8.631 2.211 1.00 0.99 H new ATOM 0 HD3 LYS A 47 -9.005 -8.392 0.621 1.00 0.99 H new ATOM 0 HE2 LYS A 47 -7.280 -9.674 -0.456 1.00 2.32 H new ATOM 0 HE3 LYS A 47 -6.235 -9.608 0.949 1.00 2.32 H new ATOM 0 HZ1 LYS A 47 -7.427 -11.750 0.549 1.00 2.65 H new ATOM 0 HZ2 LYS A 47 -7.591 -11.103 2.110 1.00 2.65 H new ATOM 0 HZ3 LYS A 47 -8.864 -10.963 0.996 1.00 2.65 H new ATOM 718 N TYR A 48 -4.219 -7.735 -2.402 1.00 0.69 N ATOM 719 CA TYR A 48 -3.558 -7.791 -3.699 1.00 0.75 C ATOM 720 C TYR A 48 -3.517 -9.212 -4.239 1.00 0.69 C ATOM 721 O TYR A 48 -3.442 -10.161 -3.460 1.00 0.75 O ATOM 722 CB TYR A 48 -2.147 -7.200 -3.589 1.00 0.92 C ATOM 723 CG TYR A 48 -1.139 -8.069 -2.855 1.00 0.92 C ATOM 724 CD1 TYR A 48 -1.238 -8.252 -1.465 1.00 2.60 C ATOM 725 CD2 TYR A 48 -0.117 -8.721 -3.570 1.00 1.79 C ATOM 726 CE1 TYR A 48 -0.340 -9.104 -0.798 1.00 2.69 C ATOM 727 CE2 TYR A 48 0.810 -9.532 -2.895 1.00 1.81 C ATOM 728 CZ TYR A 48 0.674 -9.754 -1.516 1.00 1.19 C ATOM 729 OH TYR A 48 1.525 -10.595 -0.865 1.00 1.39 O ATOM 0 H TYR A 48 -4.097 -8.574 -1.835 1.00 0.69 H new ATOM 0 HA TYR A 48 -4.134 -7.195 -4.407 1.00 0.75 H new ATOM 0 HB2 TYR A 48 -1.772 -7.006 -4.594 1.00 0.92 H new ATOM 0 HB3 TYR A 48 -2.212 -6.238 -3.081 1.00 0.92 H new ATOM 0 HD1 TYR A 48 -2.006 -7.737 -0.908 1.00 2.60 H new ATOM 0 HD2 TYR A 48 -0.045 -8.597 -4.641 1.00 1.79 H new ATOM 0 HE1 TYR A 48 -0.431 -9.258 0.267 1.00 2.69 H new ATOM 0 HE2 TYR A 48 1.627 -9.985 -3.437 1.00 1.81 H new ATOM 0 HH TYR A 48 2.169 -10.967 -1.503 1.00 1.39 H new ATOM 739 N ASP A 49 -3.542 -9.335 -5.567 1.00 0.70 N ATOM 740 CA ASP A 49 -3.250 -10.558 -6.292 1.00 0.72 C ATOM 741 C ASP A 49 -1.721 -10.688 -6.378 1.00 0.75 C ATOM 742 O ASP A 49 -1.081 -9.839 -7.005 1.00 0.84 O ATOM 743 CB ASP A 49 -3.888 -10.471 -7.683 1.00 0.99 C ATOM 744 CG ASP A 49 -3.583 -11.693 -8.539 1.00 1.80 C ATOM 745 OD1 ASP A 49 -2.394 -12.080 -8.587 1.00 3.03 O ATOM 746 OD2 ASP A 49 -4.536 -12.192 -9.172 1.00 2.45 O ATOM 0 H ASP A 49 -3.775 -8.555 -6.182 1.00 0.70 H new ATOM 0 HA ASP A 49 -3.657 -11.437 -5.792 1.00 0.72 H new ATOM 0 HB2 ASP A 49 -4.968 -10.364 -7.578 1.00 0.99 H new ATOM 0 HB3 ASP A 49 -3.527 -9.576 -8.190 1.00 0.99 H new ATOM 751 N PRO A 50 -1.120 -11.712 -5.750 1.00 0.77 N ATOM 752 CA PRO A 50 0.323 -11.864 -5.681 1.00 0.84 C ATOM 753 C PRO A 50 0.947 -12.303 -7.009 1.00 0.99 C ATOM 754 O PRO A 50 2.169 -12.253 -7.134 1.00 1.61 O ATOM 755 CB PRO A 50 0.567 -12.894 -4.576 1.00 0.89 C ATOM 756 CG PRO A 50 -0.676 -13.777 -4.648 1.00 0.90 C ATOM 757 CD PRO A 50 -1.777 -12.789 -5.028 1.00 0.81 C ATOM 0 HA PRO A 50 0.800 -10.908 -5.466 1.00 0.84 H new ATOM 0 HB2 PRO A 50 1.479 -13.465 -4.751 1.00 0.89 H new ATOM 0 HB3 PRO A 50 0.670 -12.421 -3.599 1.00 0.89 H new ATOM 0 HG2 PRO A 50 -0.568 -14.567 -5.392 1.00 0.90 H new ATOM 0 HG3 PRO A 50 -0.882 -14.263 -3.694 1.00 0.90 H new ATOM 0 HD2 PRO A 50 -2.534 -13.269 -5.648 1.00 0.81 H new ATOM 0 HD3 PRO A 50 -2.284 -12.411 -4.141 1.00 0.81 H new ATOM 765 N GLU A 51 0.145 -12.752 -7.979 1.00 0.89 N ATOM 766 CA GLU A 51 0.630 -13.185 -9.278 1.00 0.99 C ATOM 767 C GLU A 51 0.672 -11.972 -10.210 1.00 0.96 C ATOM 768 O GLU A 51 1.655 -11.764 -10.919 1.00 1.44 O ATOM 769 CB GLU A 51 -0.269 -14.309 -9.816 1.00 1.14 C ATOM 770 CG GLU A 51 -0.293 -15.512 -8.857 1.00 2.07 C ATOM 771 CD GLU A 51 -1.114 -16.677 -9.400 1.00 2.16 C ATOM 772 OE1 GLU A 51 -0.945 -16.983 -10.600 1.00 2.58 O ATOM 773 OE2 GLU A 51 -1.878 -17.256 -8.597 1.00 2.82 O ATOM 0 H GLU A 51 -0.867 -12.823 -7.876 1.00 0.89 H new ATOM 0 HA GLU A 51 1.639 -13.591 -9.205 1.00 0.99 H new ATOM 0 HB2 GLU A 51 -1.282 -13.932 -9.956 1.00 1.14 H new ATOM 0 HB3 GLU A 51 0.090 -14.628 -10.794 1.00 1.14 H new ATOM 0 HG2 GLU A 51 0.728 -15.846 -8.673 1.00 2.07 H new ATOM 0 HG3 GLU A 51 -0.704 -15.199 -7.897 1.00 2.07 H new ATOM 780 N ILE A 52 -0.387 -11.159 -10.200 1.00 0.74 N ATOM 781 CA ILE A 52 -0.470 -9.958 -11.023 1.00 0.77 C ATOM 782 C ILE A 52 0.467 -8.870 -10.484 1.00 0.77 C ATOM 783 O ILE A 52 1.108 -8.174 -11.270 1.00 0.96 O ATOM 784 CB ILE A 52 -1.930 -9.470 -11.135 1.00 0.88 C ATOM 785 CG1 ILE A 52 -2.808 -10.567 -11.771 1.00 1.89 C ATOM 786 CG2 ILE A 52 -2.017 -8.189 -11.982 1.00 1.85 C ATOM 787 CD1 ILE A 52 -4.298 -10.212 -11.791 1.00 2.88 C ATOM 0 H ILE A 52 -1.210 -11.318 -9.619 1.00 0.74 H new ATOM 0 HA ILE A 52 -0.137 -10.200 -12.032 1.00 0.77 H new ATOM 0 HB ILE A 52 -2.291 -9.250 -10.130 1.00 0.88 H new ATOM 0 HG12 ILE A 52 -2.470 -10.747 -12.792 1.00 1.89 H new ATOM 0 HG13 ILE A 52 -2.670 -11.498 -11.221 1.00 1.89 H new ATOM 0 HG21 ILE A 52 -3.056 -7.865 -12.046 1.00 1.85 H new ATOM 0 HG22 ILE A 52 -1.420 -7.404 -11.517 1.00 1.85 H new ATOM 0 HG23 ILE A 52 -1.637 -8.389 -12.984 1.00 1.85 H new ATOM 0 HD11 ILE A 52 -4.860 -11.025 -12.251 1.00 2.88 H new ATOM 0 HD12 ILE A 52 -4.650 -10.060 -10.770 1.00 2.88 H new ATOM 0 HD13 ILE A 52 -4.447 -9.298 -12.366 1.00 2.88 H new ATOM 799 N ILE A 53 0.521 -8.683 -9.161 1.00 0.68 N ATOM 800 CA ILE A 53 1.291 -7.645 -8.499 1.00 0.73 C ATOM 801 C ILE A 53 2.185 -8.357 -7.491 1.00 0.78 C ATOM 802 O ILE A 53 1.694 -8.962 -6.540 1.00 1.25 O ATOM 803 CB ILE A 53 0.304 -6.647 -7.852 1.00 0.88 C ATOM 804 CG1 ILE A 53 -0.106 -5.544 -8.844 1.00 1.24 C ATOM 805 CG2 ILE A 53 0.807 -6.010 -6.554 1.00 1.22 C ATOM 806 CD1 ILE A 53 0.933 -4.429 -9.003 1.00 0.87 C ATOM 0 H ILE A 53 0.009 -9.275 -8.506 1.00 0.68 H new ATOM 0 HA ILE A 53 1.921 -7.065 -9.174 1.00 0.73 H new ATOM 0 HB ILE A 53 -0.564 -7.250 -7.585 1.00 0.88 H new ATOM 0 HG12 ILE A 53 -0.290 -5.996 -9.818 1.00 1.24 H new ATOM 0 HG13 ILE A 53 -1.047 -5.105 -8.514 1.00 1.24 H new ATOM 0 HG21 ILE A 53 0.052 -5.324 -6.169 1.00 1.22 H new ATOM 0 HG22 ILE A 53 0.999 -6.790 -5.817 1.00 1.22 H new ATOM 0 HG23 ILE A 53 1.729 -5.462 -6.751 1.00 1.22 H new ATOM 0 HD11 ILE A 53 0.569 -3.692 -9.718 1.00 0.87 H new ATOM 0 HD12 ILE A 53 1.101 -3.948 -8.039 1.00 0.87 H new ATOM 0 HD13 ILE A 53 1.870 -4.853 -9.364 1.00 0.87 H new ATOM 818 N GLY A 54 3.504 -8.297 -7.671 1.00 0.81 N ATOM 819 CA GLY A 54 4.403 -8.789 -6.646 1.00 0.89 C ATOM 820 C GLY A 54 4.231 -7.916 -5.401 1.00 0.84 C ATOM 821 O GLY A 54 3.959 -6.721 -5.522 1.00 0.87 O ATOM 0 H GLY A 54 3.960 -7.919 -8.502 1.00 0.81 H new ATOM 0 HA2 GLY A 54 4.181 -9.831 -6.414 1.00 0.89 H new ATOM 0 HA3 GLY A 54 5.435 -8.753 -6.996 1.00 0.89 H new ATOM 825 N PRO A 55 4.407 -8.456 -4.187 1.00 0.92 N ATOM 826 CA PRO A 55 4.283 -7.657 -2.979 1.00 1.05 C ATOM 827 C PRO A 55 5.259 -6.476 -3.018 1.00 1.05 C ATOM 828 O PRO A 55 4.917 -5.343 -2.676 1.00 1.12 O ATOM 829 CB PRO A 55 4.558 -8.618 -1.818 1.00 1.28 C ATOM 830 CG PRO A 55 5.352 -9.763 -2.452 1.00 1.25 C ATOM 831 CD PRO A 55 4.833 -9.812 -3.891 1.00 1.04 C ATOM 0 HA PRO A 55 3.294 -7.211 -2.871 1.00 1.05 H new ATOM 0 HB2 PRO A 55 5.126 -8.131 -1.025 1.00 1.28 H new ATOM 0 HB3 PRO A 55 3.631 -8.977 -1.371 1.00 1.28 H new ATOM 0 HG2 PRO A 55 6.425 -9.572 -2.420 1.00 1.25 H new ATOM 0 HG3 PRO A 55 5.180 -10.705 -1.932 1.00 1.25 H new ATOM 0 HD2 PRO A 55 5.612 -10.140 -4.580 1.00 1.04 H new ATOM 0 HD3 PRO A 55 4.006 -10.515 -3.988 1.00 1.04 H new ATOM 839 N ARG A 56 6.475 -6.744 -3.497 1.00 1.06 N ATOM 840 CA ARG A 56 7.485 -5.728 -3.716 1.00 1.17 C ATOM 841 C ARG A 56 6.990 -4.610 -4.647 1.00 1.07 C ATOM 842 O ARG A 56 7.466 -3.489 -4.520 1.00 1.09 O ATOM 843 CB ARG A 56 8.784 -6.397 -4.197 1.00 1.41 C ATOM 844 CG ARG A 56 9.902 -5.418 -4.586 1.00 1.72 C ATOM 845 CD ARG A 56 10.365 -4.475 -3.466 1.00 3.11 C ATOM 846 NE ARG A 56 11.199 -3.387 -4.005 1.00 3.72 N ATOM 847 CZ ARG A 56 11.477 -2.242 -3.359 1.00 5.05 C ATOM 848 NH1 ARG A 56 11.114 -2.082 -2.086 1.00 6.12 N ATOM 849 NH2 ARG A 56 12.101 -1.252 -3.998 1.00 5.81 N ATOM 0 H ARG A 56 6.781 -7.685 -3.744 1.00 1.06 H new ATOM 0 HA ARG A 56 7.700 -5.226 -2.773 1.00 1.17 H new ATOM 0 HB2 ARG A 56 9.152 -7.054 -3.409 1.00 1.41 H new ATOM 0 HB3 ARG A 56 8.556 -7.027 -5.056 1.00 1.41 H new ATOM 0 HG2 ARG A 56 10.761 -5.992 -4.934 1.00 1.72 H new ATOM 0 HG3 ARG A 56 9.559 -4.816 -5.427 1.00 1.72 H new ATOM 0 HD2 ARG A 56 9.497 -4.055 -2.957 1.00 3.11 H new ATOM 0 HD3 ARG A 56 10.930 -5.037 -2.722 1.00 3.11 H new ATOM 0 HE ARG A 56 11.594 -3.512 -4.937 1.00 3.72 H new ATOM 0 HH11 ARG A 56 10.623 -2.831 -1.598 1.00 6.12 H new ATOM 0 HH12 ARG A 56 11.328 -1.211 -1.600 1.00 6.12 H new ATOM 0 HH21 ARG A 56 12.367 -1.364 -4.976 1.00 5.81 H new ATOM 0 HH22 ARG A 56 12.312 -0.382 -3.509 1.00 5.81 H new ATOM 863 N ASP A 57 6.064 -4.871 -5.576 1.00 1.00 N ATOM 864 CA ASP A 57 5.601 -3.867 -6.532 1.00 0.94 C ATOM 865 C ASP A 57 4.731 -2.805 -5.870 1.00 0.79 C ATOM 866 O ASP A 57 4.841 -1.615 -6.169 1.00 0.75 O ATOM 867 CB ASP A 57 4.906 -4.518 -7.728 1.00 0.91 C ATOM 868 CG ASP A 57 5.837 -5.478 -8.448 1.00 1.53 C ATOM 869 OD1 ASP A 57 7.026 -5.102 -8.590 1.00 2.50 O ATOM 870 OD2 ASP A 57 5.341 -6.572 -8.803 1.00 2.15 O ATOM 0 H ASP A 57 5.618 -5.782 -5.684 1.00 1.00 H new ATOM 0 HA ASP A 57 6.482 -3.350 -6.913 1.00 0.94 H new ATOM 0 HB2 ASP A 57 4.019 -5.053 -7.389 1.00 0.91 H new ATOM 0 HB3 ASP A 57 4.569 -3.747 -8.420 1.00 0.91 H new ATOM 875 N ILE A 58 3.875 -3.210 -4.936 1.00 0.74 N ATOM 876 CA ILE A 58 3.142 -2.248 -4.122 1.00 0.63 C ATOM 877 C ILE A 58 4.148 -1.334 -3.423 1.00 0.59 C ATOM 878 O ILE A 58 4.023 -0.109 -3.470 1.00 0.56 O ATOM 879 CB ILE A 58 2.215 -2.998 -3.156 1.00 0.64 C ATOM 880 CG1 ILE A 58 1.001 -3.480 -3.962 1.00 0.59 C ATOM 881 CG2 ILE A 58 1.748 -2.125 -1.983 1.00 0.71 C ATOM 882 CD1 ILE A 58 0.343 -4.702 -3.329 1.00 0.83 C ATOM 0 H ILE A 58 3.674 -4.188 -4.726 1.00 0.74 H new ATOM 0 HA ILE A 58 2.499 -1.613 -4.732 1.00 0.63 H new ATOM 0 HB ILE A 58 2.765 -3.831 -2.719 1.00 0.64 H new ATOM 0 HG12 ILE A 58 0.272 -2.673 -4.036 1.00 0.59 H new ATOM 0 HG13 ILE A 58 1.313 -3.722 -4.978 1.00 0.59 H new ATOM 0 HG21 ILE A 58 1.095 -2.708 -1.333 1.00 0.71 H new ATOM 0 HG22 ILE A 58 2.614 -1.784 -1.416 1.00 0.71 H new ATOM 0 HG23 ILE A 58 1.202 -1.263 -2.366 1.00 0.71 H new ATOM 0 HD11 ILE A 58 -0.511 -5.009 -3.932 1.00 0.83 H new ATOM 0 HD12 ILE A 58 1.064 -5.518 -3.279 1.00 0.83 H new ATOM 0 HD13 ILE A 58 0.006 -4.453 -2.323 1.00 0.83 H new ATOM 894 N ILE A 59 5.179 -1.926 -2.818 1.00 0.60 N ATOM 895 CA ILE A 59 6.224 -1.166 -2.168 1.00 0.58 C ATOM 896 C ILE A 59 6.942 -0.266 -3.191 1.00 0.64 C ATOM 897 O ILE A 59 7.114 0.917 -2.920 1.00 0.66 O ATOM 898 CB ILE A 59 7.129 -2.122 -1.376 1.00 0.74 C ATOM 899 CG1 ILE A 59 6.316 -2.850 -0.285 1.00 0.83 C ATOM 900 CG2 ILE A 59 8.255 -1.324 -0.721 1.00 0.85 C ATOM 901 CD1 ILE A 59 7.008 -4.127 0.191 1.00 1.19 C ATOM 0 H ILE A 59 5.304 -2.937 -2.770 1.00 0.60 H new ATOM 0 HA ILE A 59 5.815 -0.473 -1.433 1.00 0.58 H new ATOM 0 HB ILE A 59 7.546 -2.863 -2.059 1.00 0.74 H new ATOM 0 HG12 ILE A 59 6.167 -2.181 0.563 1.00 0.83 H new ATOM 0 HG13 ILE A 59 5.328 -3.097 -0.674 1.00 0.83 H new ATOM 0 HG21 ILE A 59 8.899 -1.999 -0.158 1.00 0.85 H new ATOM 0 HG22 ILE A 59 8.840 -0.821 -1.491 1.00 0.85 H new ATOM 0 HG23 ILE A 59 7.830 -0.581 -0.046 1.00 0.85 H new ATOM 0 HD11 ILE A 59 6.400 -4.606 0.958 1.00 1.19 H new ATOM 0 HD12 ILE A 59 7.133 -4.808 -0.651 1.00 1.19 H new ATOM 0 HD13 ILE A 59 7.985 -3.879 0.605 1.00 1.19 H new ATOM 913 N HIS A 60 7.297 -0.775 -4.380 1.00 0.74 N ATOM 914 CA HIS A 60 7.847 0.032 -5.470 1.00 0.84 C ATOM 915 C HIS A 60 6.957 1.242 -5.730 1.00 0.77 C ATOM 916 O HIS A 60 7.454 2.347 -5.929 1.00 0.82 O ATOM 917 CB HIS A 60 7.983 -0.754 -6.793 1.00 0.99 C ATOM 918 CG HIS A 60 9.077 -1.788 -6.844 1.00 1.77 C ATOM 919 ND1 HIS A 60 9.040 -3.027 -7.461 1.00 3.05 N ATOM 920 CD2 HIS A 60 10.376 -1.541 -6.503 1.00 2.19 C ATOM 921 CE1 HIS A 60 10.293 -3.517 -7.434 1.00 3.72 C ATOM 922 NE2 HIS A 60 11.137 -2.672 -6.812 1.00 3.33 N ATOM 0 H HIS A 60 7.208 -1.765 -4.610 1.00 0.74 H new ATOM 0 HA HIS A 60 8.843 0.336 -5.148 1.00 0.84 H new ATOM 0 HB2 HIS A 60 7.034 -1.250 -6.996 1.00 0.99 H new ATOM 0 HB3 HIS A 60 8.149 -0.040 -7.600 1.00 0.99 H new ATOM 0 HD2 HIS A 60 10.752 -0.627 -6.068 1.00 2.19 H new ATOM 0 HE1 HIS A 60 10.585 -4.467 -7.857 1.00 3.72 H new ATOM 0 HE2 HIS A 60 12.125 -2.825 -6.609 1.00 3.33 H new ATOM 930 N THR A 61 5.639 1.038 -5.746 1.00 0.70 N ATOM 931 CA THR A 61 4.714 2.113 -6.045 1.00 0.69 C ATOM 932 C THR A 61 4.806 3.153 -4.926 1.00 0.65 C ATOM 933 O THR A 61 5.089 4.322 -5.183 1.00 0.79 O ATOM 934 CB THR A 61 3.299 1.552 -6.264 1.00 0.70 C ATOM 935 OG1 THR A 61 3.344 0.493 -7.201 1.00 0.98 O ATOM 936 CG2 THR A 61 2.368 2.627 -6.828 1.00 0.84 C ATOM 0 H THR A 61 5.197 0.139 -5.555 1.00 0.70 H new ATOM 0 HA THR A 61 4.974 2.614 -6.978 1.00 0.69 H new ATOM 0 HB THR A 61 2.926 1.206 -5.300 1.00 0.70 H new ATOM 0 HG1 THR A 61 3.762 -0.291 -6.788 1.00 0.98 H new ATOM 0 HG21 THR A 61 1.373 2.206 -6.974 1.00 0.84 H new ATOM 0 HG22 THR A 61 2.310 3.461 -6.129 1.00 0.84 H new ATOM 0 HG23 THR A 61 2.757 2.980 -7.783 1.00 0.84 H new ATOM 944 N ILE A 62 4.623 2.714 -3.679 1.00 0.54 N ATOM 945 CA ILE A 62 4.724 3.559 -2.492 1.00 0.53 C ATOM 946 C ILE A 62 6.018 4.386 -2.519 1.00 0.59 C ATOM 947 O ILE A 62 5.964 5.612 -2.409 1.00 0.65 O ATOM 948 CB ILE A 62 4.587 2.670 -1.241 1.00 0.48 C ATOM 949 CG1 ILE A 62 3.129 2.192 -1.123 1.00 0.59 C ATOM 950 CG2 ILE A 62 4.973 3.416 0.044 1.00 0.49 C ATOM 951 CD1 ILE A 62 2.952 1.032 -0.141 1.00 1.46 C ATOM 0 H ILE A 62 4.396 1.743 -3.464 1.00 0.54 H new ATOM 0 HA ILE A 62 3.915 4.289 -2.470 1.00 0.53 H new ATOM 0 HB ILE A 62 5.268 1.826 -1.355 1.00 0.48 H new ATOM 0 HG12 ILE A 62 2.504 3.027 -0.805 1.00 0.59 H new ATOM 0 HG13 ILE A 62 2.774 1.884 -2.106 1.00 0.59 H new ATOM 0 HG21 ILE A 62 4.861 2.750 0.899 1.00 0.49 H new ATOM 0 HG22 ILE A 62 6.009 3.747 -0.025 1.00 0.49 H new ATOM 0 HG23 ILE A 62 4.323 4.282 0.171 1.00 0.49 H new ATOM 0 HD11 ILE A 62 1.902 0.743 -0.105 1.00 1.46 H new ATOM 0 HD12 ILE A 62 3.551 0.183 -0.470 1.00 1.46 H new ATOM 0 HD13 ILE A 62 3.277 1.343 0.852 1.00 1.46 H new ATOM 963 N GLU A 63 7.166 3.722 -2.691 1.00 0.62 N ATOM 964 CA GLU A 63 8.461 4.369 -2.856 1.00 0.75 C ATOM 965 C GLU A 63 8.391 5.412 -3.977 1.00 0.76 C ATOM 966 O GLU A 63 8.736 6.576 -3.781 1.00 0.84 O ATOM 967 CB GLU A 63 9.539 3.307 -3.139 1.00 0.88 C ATOM 968 CG GLU A 63 9.841 2.435 -1.908 1.00 0.99 C ATOM 969 CD GLU A 63 10.777 1.270 -2.219 1.00 1.05 C ATOM 970 OE1 GLU A 63 11.243 1.153 -3.373 1.00 1.75 O ATOM 971 OE2 GLU A 63 11.008 0.443 -1.311 1.00 2.18 O ATOM 0 H GLU A 63 7.216 2.704 -2.719 1.00 0.62 H new ATOM 0 HA GLU A 63 8.730 4.889 -1.936 1.00 0.75 H new ATOM 0 HB2 GLU A 63 9.211 2.670 -3.960 1.00 0.88 H new ATOM 0 HB3 GLU A 63 10.455 3.801 -3.465 1.00 0.88 H new ATOM 0 HG2 GLU A 63 10.287 3.055 -1.131 1.00 0.99 H new ATOM 0 HG3 GLU A 63 8.905 2.045 -1.507 1.00 0.99 H new ATOM 978 N SER A 64 7.934 4.987 -5.157 1.00 0.77 N ATOM 979 CA SER A 64 7.911 5.810 -6.356 1.00 0.86 C ATOM 980 C SER A 64 7.014 7.042 -6.221 1.00 0.88 C ATOM 981 O SER A 64 7.245 8.002 -6.953 1.00 1.10 O ATOM 982 CB SER A 64 7.500 4.981 -7.578 1.00 0.95 C ATOM 983 OG SER A 64 7.679 5.739 -8.762 1.00 1.30 O ATOM 0 H SER A 64 7.565 4.047 -5.303 1.00 0.77 H new ATOM 0 HA SER A 64 8.928 6.176 -6.496 1.00 0.86 H new ATOM 0 HB2 SER A 64 8.096 4.070 -7.626 1.00 0.95 H new ATOM 0 HB3 SER A 64 6.458 4.676 -7.486 1.00 0.95 H new ATOM 0 HG SER A 64 7.691 6.694 -8.541 1.00 1.30 H new ATOM 989 N LEU A 65 5.979 7.023 -5.372 1.00 0.75 N ATOM 990 CA LEU A 65 5.210 8.227 -5.105 1.00 0.78 C ATOM 991 C LEU A 65 6.071 9.238 -4.335 1.00 0.86 C ATOM 992 O LEU A 65 6.686 10.112 -4.941 1.00 1.23 O ATOM 993 CB LEU A 65 3.903 7.895 -4.368 1.00 0.75 C ATOM 994 CG LEU A 65 2.703 7.511 -5.250 1.00 0.75 C ATOM 995 CD1 LEU A 65 2.339 8.566 -6.301 1.00 2.20 C ATOM 996 CD2 LEU A 65 2.849 6.147 -5.915 1.00 2.20 C ATOM 0 H LEU A 65 5.664 6.194 -4.868 1.00 0.75 H new ATOM 0 HA LEU A 65 4.926 8.685 -6.052 1.00 0.78 H new ATOM 0 HB2 LEU A 65 4.098 7.073 -3.679 1.00 0.75 H new ATOM 0 HB3 LEU A 65 3.622 8.758 -3.764 1.00 0.75 H new ATOM 0 HG LEU A 65 1.877 7.455 -4.541 1.00 0.75 H new ATOM 0 HD11 LEU A 65 1.484 8.221 -6.882 1.00 2.20 H new ATOM 0 HD12 LEU A 65 2.086 9.503 -5.804 1.00 2.20 H new ATOM 0 HD13 LEU A 65 3.188 8.726 -6.965 1.00 2.20 H new ATOM 0 HD21 LEU A 65 1.967 5.942 -6.521 1.00 2.20 H new ATOM 0 HD22 LEU A 65 3.735 6.145 -6.550 1.00 2.20 H new ATOM 0 HD23 LEU A 65 2.950 5.378 -5.149 1.00 2.20 H new ATOM 1008 N GLY A 66 6.042 9.219 -2.999 1.00 0.69 N ATOM 1009 CA GLY A 66 6.928 10.066 -2.209 1.00 0.82 C ATOM 1010 C GLY A 66 7.058 9.562 -0.777 1.00 0.68 C ATOM 1011 O GLY A 66 6.977 10.367 0.149 1.00 0.97 O ATOM 0 H GLY A 66 5.418 8.629 -2.449 1.00 0.69 H new ATOM 0 HA2 GLY A 66 7.913 10.097 -2.675 1.00 0.82 H new ATOM 0 HA3 GLY A 66 6.546 11.087 -2.203 1.00 0.82 H new ATOM 1015 N PHE A 67 7.161 8.245 -0.584 1.00 0.58 N ATOM 1016 CA PHE A 67 6.912 7.614 0.706 1.00 0.51 C ATOM 1017 C PHE A 67 7.952 6.524 0.968 1.00 0.62 C ATOM 1018 O PHE A 67 8.761 6.221 0.098 1.00 0.93 O ATOM 1019 CB PHE A 67 5.506 7.002 0.690 1.00 0.56 C ATOM 1020 CG PHE A 67 4.395 7.908 0.191 1.00 0.67 C ATOM 1021 CD1 PHE A 67 4.205 9.179 0.763 1.00 1.59 C ATOM 1022 CD2 PHE A 67 3.534 7.470 -0.832 1.00 2.50 C ATOM 1023 CE1 PHE A 67 3.135 9.986 0.346 1.00 1.46 C ATOM 1024 CE2 PHE A 67 2.448 8.267 -1.228 1.00 2.71 C ATOM 1025 CZ PHE A 67 2.210 9.495 -0.589 1.00 1.08 C ATOM 0 H PHE A 67 7.420 7.589 -1.321 1.00 0.58 H new ATOM 0 HA PHE A 67 6.984 8.358 1.499 1.00 0.51 H new ATOM 0 HB2 PHE A 67 5.527 6.108 0.067 1.00 0.56 H new ATOM 0 HB3 PHE A 67 5.259 6.680 1.702 1.00 0.56 H new ATOM 0 HD1 PHE A 67 4.884 9.534 1.524 1.00 1.59 H new ATOM 0 HD2 PHE A 67 3.709 6.519 -1.313 1.00 2.50 H new ATOM 0 HE1 PHE A 67 3.023 10.984 0.744 1.00 1.46 H new ATOM 0 HE2 PHE A 67 1.796 7.936 -2.023 1.00 2.71 H new ATOM 0 HZ PHE A 67 1.318 10.060 -0.816 1.00 1.08 H new ATOM 1035 N GLU A 68 7.888 5.910 2.152 1.00 0.52 N ATOM 1036 CA GLU A 68 8.608 4.695 2.498 1.00 0.61 C ATOM 1037 C GLU A 68 7.616 3.754 3.184 1.00 0.56 C ATOM 1038 O GLU A 68 6.552 4.196 3.628 1.00 0.77 O ATOM 1039 CB GLU A 68 9.755 5.015 3.459 1.00 0.92 C ATOM 1040 CG GLU A 68 10.965 5.694 2.819 1.00 2.33 C ATOM 1041 CD GLU A 68 12.076 5.907 3.846 1.00 3.00 C ATOM 1042 OE1 GLU A 68 12.001 5.262 4.918 1.00 3.08 O ATOM 1043 OE2 GLU A 68 12.981 6.710 3.541 1.00 4.22 O ATOM 0 H GLU A 68 7.313 6.261 2.917 1.00 0.52 H new ATOM 0 HA GLU A 68 9.029 4.237 1.603 1.00 0.61 H new ATOM 0 HB2 GLU A 68 9.375 5.658 4.253 1.00 0.92 H new ATOM 0 HB3 GLU A 68 10.084 4.088 3.929 1.00 0.92 H new ATOM 0 HG2 GLU A 68 11.337 5.083 1.996 1.00 2.33 H new ATOM 0 HG3 GLU A 68 10.667 6.653 2.395 1.00 2.33 H new ATOM 1050 N ALA A 69 7.972 2.470 3.303 1.00 0.64 N ATOM 1051 CA ALA A 69 7.160 1.459 3.963 1.00 0.84 C ATOM 1052 C ALA A 69 8.000 0.526 4.837 1.00 1.02 C ATOM 1053 O ALA A 69 9.226 0.480 4.737 1.00 1.27 O ATOM 1054 CB ALA A 69 6.405 0.648 2.907 1.00 1.09 C ATOM 0 H ALA A 69 8.850 2.105 2.934 1.00 0.64 H new ATOM 0 HA ALA A 69 6.455 1.970 4.620 1.00 0.84 H new ATOM 0 HB1 ALA A 69 5.795 -0.111 3.398 1.00 1.09 H new ATOM 0 HB2 ALA A 69 5.762 1.312 2.329 1.00 1.09 H new ATOM 0 HB3 ALA A 69 7.119 0.164 2.241 1.00 1.09 H new ATOM 1060 N SER A 70 7.329 -0.252 5.688 1.00 1.00 N ATOM 1061 CA SER A 70 7.855 -1.463 6.307 1.00 1.03 C ATOM 1062 C SER A 70 6.661 -2.381 6.560 1.00 0.99 C ATOM 1063 O SER A 70 5.548 -1.880 6.656 1.00 0.96 O ATOM 1064 CB SER A 70 8.577 -1.124 7.616 1.00 1.15 C ATOM 1065 OG SER A 70 9.641 -0.221 7.367 1.00 1.78 O ATOM 0 H SER A 70 6.371 -0.046 5.973 1.00 1.00 H new ATOM 0 HA SER A 70 8.584 -1.952 5.661 1.00 1.03 H new ATOM 0 HB2 SER A 70 7.875 -0.684 8.324 1.00 1.15 H new ATOM 0 HB3 SER A 70 8.963 -2.035 8.074 1.00 1.15 H new ATOM 0 HG SER A 70 9.678 -0.015 6.410 1.00 1.78 H new ATOM 1071 N LEU A 71 6.851 -3.697 6.650 1.00 1.33 N ATOM 1072 CA LEU A 71 5.747 -4.618 6.911 1.00 1.32 C ATOM 1073 C LEU A 71 5.291 -4.461 8.368 1.00 1.75 C ATOM 1074 O LEU A 71 6.120 -4.197 9.237 1.00 2.47 O ATOM 1075 CB LEU A 71 6.177 -6.062 6.611 1.00 1.74 C ATOM 1076 CG LEU A 71 6.337 -6.402 5.117 1.00 1.56 C ATOM 1077 CD1 LEU A 71 7.407 -5.580 4.387 1.00 2.68 C ATOM 1078 CD2 LEU A 71 6.701 -7.886 4.996 1.00 2.47 C ATOM 0 H LEU A 71 7.760 -4.149 6.546 1.00 1.33 H new ATOM 0 HA LEU A 71 4.908 -4.382 6.257 1.00 1.32 H new ATOM 0 HB2 LEU A 71 7.125 -6.254 7.114 1.00 1.74 H new ATOM 0 HB3 LEU A 71 5.442 -6.740 7.045 1.00 1.74 H new ATOM 0 HG LEU A 71 5.386 -6.160 4.642 1.00 1.56 H new ATOM 0 HD11 LEU A 71 7.451 -5.886 3.342 1.00 2.68 H new ATOM 0 HD12 LEU A 71 7.155 -4.521 4.445 1.00 2.68 H new ATOM 0 HD13 LEU A 71 8.377 -5.748 4.855 1.00 2.68 H new ATOM 0 HD21 LEU A 71 6.819 -8.147 3.944 1.00 2.47 H new ATOM 0 HD22 LEU A 71 7.636 -8.076 5.524 1.00 2.47 H new ATOM 0 HD23 LEU A 71 5.908 -8.492 5.434 1.00 2.47 H new ATOM 1090 N VAL A 72 3.986 -4.591 8.633 1.00 1.93 N ATOM 1091 CA VAL A 72 3.446 -4.543 9.990 1.00 2.49 C ATOM 1092 C VAL A 72 3.878 -5.806 10.736 1.00 1.78 C ATOM 1093 O VAL A 72 4.630 -5.739 11.705 1.00 2.79 O ATOM 1094 CB VAL A 72 1.909 -4.399 9.960 1.00 3.40 C ATOM 1095 CG1 VAL A 72 1.295 -4.508 11.362 1.00 3.81 C ATOM 1096 CG2 VAL A 72 1.510 -3.041 9.378 1.00 4.41 C ATOM 0 H VAL A 72 3.278 -4.732 7.912 1.00 1.93 H new ATOM 0 HA VAL A 72 3.837 -3.671 10.514 1.00 2.49 H new ATOM 0 HB VAL A 72 1.533 -5.212 9.339 1.00 3.40 H new ATOM 0 HG11 VAL A 72 0.212 -4.401 11.294 1.00 3.81 H new ATOM 0 HG12 VAL A 72 1.538 -5.480 11.791 1.00 3.81 H new ATOM 0 HG13 VAL A 72 1.698 -3.720 11.998 1.00 3.81 H new ATOM 0 HG21 VAL A 72 0.423 -2.956 9.364 1.00 4.41 H new ATOM 0 HG22 VAL A 72 1.928 -2.244 9.993 1.00 4.41 H new ATOM 0 HG23 VAL A 72 1.894 -2.954 8.361 1.00 4.41 H new ATOM 1106 N LYS A 73 3.378 -6.957 10.283 1.00 1.71 N ATOM 1107 CA LYS A 73 3.794 -8.256 10.787 1.00 1.62 C ATOM 1108 C LYS A 73 5.061 -8.696 10.058 1.00 2.55 C ATOM 1109 O LYS A 73 5.398 -8.147 9.010 1.00 3.96 O ATOM 1110 CB LYS A 73 2.654 -9.285 10.672 1.00 2.23 C ATOM 1111 CG LYS A 73 2.236 -9.749 9.260 1.00 1.94 C ATOM 1112 CD LYS A 73 1.412 -8.723 8.464 1.00 2.65 C ATOM 1113 CE LYS A 73 0.527 -9.381 7.393 1.00 3.18 C ATOM 1114 NZ LYS A 73 1.307 -10.097 6.362 1.00 3.89 N ATOM 0 H LYS A 73 2.669 -7.009 9.552 1.00 1.71 H new ATOM 0 HA LYS A 73 4.026 -8.181 11.849 1.00 1.62 H new ATOM 0 HB2 LYS A 73 2.943 -10.168 11.242 1.00 2.23 H new ATOM 0 HB3 LYS A 73 1.774 -8.865 11.159 1.00 2.23 H new ATOM 0 HG2 LYS A 73 3.134 -9.993 8.692 1.00 1.94 H new ATOM 0 HG3 LYS A 73 1.657 -10.668 9.351 1.00 1.94 H new ATOM 0 HD2 LYS A 73 0.784 -8.155 9.151 1.00 2.65 H new ATOM 0 HD3 LYS A 73 2.086 -8.012 7.987 1.00 2.65 H new ATOM 0 HE2 LYS A 73 -0.157 -10.080 7.874 1.00 3.18 H new ATOM 0 HE3 LYS A 73 -0.083 -8.616 6.913 1.00 3.18 H new ATOM 0 HZ1 LYS A 73 0.717 -10.239 5.517 1.00 3.89 H new ATOM 0 HZ2 LYS A 73 2.145 -9.536 6.109 1.00 3.89 H new ATOM 0 HZ3 LYS A 73 1.608 -11.021 6.734 1.00 3.89 H new ATOM 1128 N ILE A 74 5.748 -9.714 10.580 1.00 3.08 N ATOM 1129 CA ILE A 74 6.706 -10.447 9.769 1.00 4.76 C ATOM 1130 C ILE A 74 5.901 -11.191 8.697 1.00 5.89 C ATOM 1131 O ILE A 74 4.947 -11.885 9.041 1.00 6.08 O ATOM 1132 CB ILE A 74 7.599 -11.360 10.638 1.00 5.46 C ATOM 1133 CG1 ILE A 74 6.817 -12.439 11.415 1.00 5.61 C ATOM 1134 CG2 ILE A 74 8.429 -10.485 11.591 1.00 5.99 C ATOM 1135 CD1 ILE A 74 7.717 -13.314 12.293 1.00 6.42 C ATOM 0 H ILE A 74 5.658 -10.041 11.542 1.00 3.08 H new ATOM 0 HA ILE A 74 7.413 -9.779 9.277 1.00 4.76 H new ATOM 0 HB ILE A 74 8.253 -11.913 9.964 1.00 5.46 H new ATOM 0 HG12 ILE A 74 6.067 -11.956 12.041 1.00 5.61 H new ATOM 0 HG13 ILE A 74 6.282 -13.073 10.707 1.00 5.61 H new ATOM 0 HG21 ILE A 74 9.063 -11.121 12.209 1.00 5.99 H new ATOM 0 HG22 ILE A 74 9.053 -9.805 11.011 1.00 5.99 H new ATOM 0 HG23 ILE A 74 7.761 -9.908 12.230 1.00 5.99 H new ATOM 0 HD11 ILE A 74 7.109 -14.054 12.814 1.00 6.42 H new ATOM 0 HD12 ILE A 74 8.451 -13.823 11.668 1.00 6.42 H new ATOM 0 HD13 ILE A 74 8.232 -12.689 13.022 1.00 6.42 H new ATOM 1147 N GLU A 75 6.245 -10.979 7.424 1.00 7.20 N ATOM 1148 CA GLU A 75 5.538 -11.517 6.270 1.00 8.66 C ATOM 1149 C GLU A 75 4.073 -11.055 6.264 1.00 8.95 C ATOM 1150 O GLU A 75 3.833 -9.848 6.030 1.00 9.35 O ATOM 1151 CB GLU A 75 5.713 -13.041 6.189 1.00 9.44 C ATOM 1152 CG GLU A 75 7.201 -13.428 6.162 1.00 9.98 C ATOM 1153 CD GLU A 75 7.386 -14.924 5.946 1.00 11.21 C ATOM 1154 OE1 GLU A 75 7.128 -15.365 4.805 1.00 12.32 O ATOM 1155 OE2 GLU A 75 7.788 -15.596 6.920 1.00 11.38 O ATOM 1156 OXT GLU A 75 3.154 -11.873 6.496 1.00 9.33 O ATOM 0 H GLU A 75 7.050 -10.409 7.165 1.00 7.20 H new ATOM 0 HA GLU A 75 5.978 -11.117 5.356 1.00 8.66 H new ATOM 0 HB2 GLU A 75 5.227 -13.512 7.044 1.00 9.44 H new ATOM 0 HB3 GLU A 75 5.220 -13.420 5.294 1.00 9.44 H new ATOM 0 HG2 GLU A 75 7.706 -12.880 5.367 1.00 9.98 H new ATOM 0 HG3 GLU A 75 7.671 -13.134 7.100 1.00 9.98 H new TER 1163 GLU A 75 HETATM 1164 CU CU1 A 76 0.211 14.672 2.598 1.00 0.61 CU