USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 523 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 59 SER OG : rot 150:sc= 0.0745 USER MOD Set 1.2: A 78 MET CE :methyl -176:sc= 0 (180deg=-0.0324) USER MOD Set 2.1: A 22 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 25 CYS SG : rot 180:sc= -0.238 USER MOD Set 3.1: A 13 THR OG1 : rot -58:sc= 0.0112 USER MOD Set 3.2: A 54 HIS : no HD1:sc= -0.247 X(o=-0.24,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.0865 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl 144:sc= -0.619 (180deg=-3.11!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.01) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -122:sc= 1.21 USER MOD Single : A 34 GLN : amide:sc= -0.0789 K(o=-0.079,f=-2!) USER MOD Single : A 40 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.26) USER MOD Single : A 45 HIS : no HE2:sc= -0.314 X(o=-0.31,f=-0.5) USER MOD Single : A 49 GLN : amide:sc= 0.924 K(o=0.92,f=-0.009) USER MOD Single : A 50 MET CE :methyl -112:sc= 0 (180deg=-0.0797) USER MOD Single : A 55 THR OG1 : rot 45:sc= 1.55 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.364 K(o=0.36,f=-4.7!) USER MOD Single : A 63 GLN : amide:sc= 0.777 K(o=0.78,f=-0.0039) USER MOD Single : A 69 THR OG1 : rot -68:sc= 1.23 USER MOD Single : A 72 GLN : amide:sc= 0.872 K(o=0.87,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 8 N THR A 10 -7.290 5.641 13.800 1.00 0.80 N ATOM 9 CA THR A 10 -6.156 6.535 14.076 1.00 0.65 C ATOM 10 C THR A 10 -4.885 6.142 13.324 1.00 0.51 C ATOM 11 O THR A 10 -4.641 4.971 13.031 1.00 0.50 O ATOM 12 CB THR A 10 -5.931 6.701 15.587 1.00 0.77 C ATOM 13 OG1 THR A 10 -4.908 7.636 15.837 1.00 0.69 O ATOM 14 CG2 THR A 10 -5.577 5.411 16.318 1.00 0.88 C ATOM 0 HA THR A 10 -6.424 7.516 13.683 1.00 0.65 H new ATOM 0 HB THR A 10 -6.891 7.044 15.973 1.00 0.77 H new ATOM 0 HG1 THR A 10 -4.780 7.730 16.804 1.00 0.69 H new ATOM 0 HG21 THR A 10 -5.436 5.621 17.378 1.00 0.88 H new ATOM 0 HG22 THR A 10 -6.385 4.690 16.195 1.00 0.88 H new ATOM 0 HG23 THR A 10 -4.657 4.999 15.904 1.00 0.88 H new ATOM 22 N LEU A 11 -4.107 7.158 12.951 1.00 0.50 N ATOM 23 CA LEU A 11 -3.044 7.083 11.944 1.00 0.46 C ATOM 24 C LEU A 11 -1.880 6.212 12.434 1.00 0.46 C ATOM 25 O LEU A 11 -1.397 6.370 13.559 1.00 0.53 O ATOM 26 CB LEU A 11 -2.564 8.513 11.610 1.00 0.49 C ATOM 27 CG LEU A 11 -2.073 8.861 10.190 1.00 0.83 C ATOM 28 CD1 LEU A 11 -0.890 8.051 9.689 1.00 2.03 C ATOM 29 CD2 LEU A 11 -3.182 8.736 9.150 1.00 1.15 C ATOM 0 H LEU A 11 -4.202 8.090 13.355 1.00 0.50 H new ATOM 0 HA LEU A 11 -3.438 6.616 11.041 1.00 0.46 H new ATOM 0 HB2 LEU A 11 -3.386 9.191 11.842 1.00 0.49 H new ATOM 0 HB3 LEU A 11 -1.752 8.749 12.298 1.00 0.49 H new ATOM 0 HG LEU A 11 -1.746 9.895 10.302 1.00 0.83 H new ATOM 0 HD11 LEU A 11 -0.627 8.376 8.682 1.00 2.03 H new ATOM 0 HD12 LEU A 11 -0.039 8.201 10.353 1.00 2.03 H new ATOM 0 HD13 LEU A 11 -1.154 6.994 9.671 1.00 2.03 H new ATOM 0 HD21 LEU A 11 -2.788 8.991 8.166 1.00 1.15 H new ATOM 0 HD22 LEU A 11 -3.555 7.712 9.137 1.00 1.15 H new ATOM 0 HD23 LEU A 11 -3.996 9.416 9.402 1.00 1.15 H new ATOM 41 N CYS A 12 -1.413 5.333 11.558 1.00 0.42 N ATOM 42 CA CYS A 12 -0.227 4.494 11.724 1.00 0.54 C ATOM 43 C CYS A 12 0.376 4.114 10.364 1.00 0.39 C ATOM 44 O CYS A 12 -0.295 4.176 9.333 1.00 0.35 O ATOM 45 CB CYS A 12 -0.575 3.235 12.522 1.00 0.78 C ATOM 46 SG CYS A 12 0.919 2.618 13.351 1.00 2.43 S ATOM 0 H CYS A 12 -1.875 5.175 10.662 1.00 0.42 H new ATOM 0 HA CYS A 12 0.518 5.067 12.276 1.00 0.54 H new ATOM 0 HB2 CYS A 12 -1.347 3.459 13.258 1.00 0.78 H new ATOM 0 HB3 CYS A 12 -0.979 2.470 11.859 1.00 0.78 H new ATOM 0 HG CYS A 12 0.628 1.550 14.032 1.00 2.43 H new ATOM 52 N THR A 13 1.642 3.705 10.363 1.00 0.42 N ATOM 53 CA THR A 13 2.293 3.054 9.216 1.00 0.30 C ATOM 54 C THR A 13 1.917 1.576 9.147 1.00 0.33 C ATOM 55 O THR A 13 2.047 0.843 10.127 1.00 0.59 O ATOM 56 CB THR A 13 3.817 3.124 9.343 1.00 0.41 C ATOM 57 OG1 THR A 13 4.256 4.447 9.542 1.00 0.62 O ATOM 58 CG2 THR A 13 4.536 2.569 8.109 1.00 0.55 C ATOM 0 H THR A 13 2.259 3.815 11.168 1.00 0.42 H new ATOM 0 HA THR A 13 1.958 3.579 8.322 1.00 0.30 H new ATOM 0 HB THR A 13 4.065 2.509 10.208 1.00 0.41 H new ATOM 0 HG1 THR A 13 3.957 5.007 8.795 1.00 0.62 H new ATOM 0 HG21 THR A 13 5.614 2.643 8.252 1.00 0.55 H new ATOM 0 HG22 THR A 13 4.260 1.524 7.966 1.00 0.55 H new ATOM 0 HG23 THR A 13 4.247 3.145 7.230 1.00 0.55 H new ATOM 66 N LEU A 14 1.574 1.110 7.952 1.00 0.32 N ATOM 67 CA LEU A 14 1.468 -0.305 7.597 1.00 0.33 C ATOM 68 C LEU A 14 2.499 -0.693 6.543 1.00 0.35 C ATOM 69 O LEU A 14 2.794 0.080 5.636 1.00 0.53 O ATOM 70 CB LEU A 14 0.021 -0.591 7.223 1.00 0.41 C ATOM 71 CG LEU A 14 -0.667 -1.088 8.505 1.00 0.69 C ATOM 72 CD1 LEU A 14 -2.141 -0.811 8.466 1.00 1.23 C ATOM 73 CD2 LEU A 14 -0.490 -2.594 8.629 1.00 2.60 C ATOM 0 H LEU A 14 1.353 1.729 7.172 1.00 0.32 H new ATOM 0 HA LEU A 14 1.715 -0.945 8.444 1.00 0.33 H new ATOM 0 HB2 LEU A 14 -0.467 0.307 6.843 1.00 0.41 H new ATOM 0 HB3 LEU A 14 -0.036 -1.342 6.435 1.00 0.41 H new ATOM 0 HG LEU A 14 -0.214 -0.566 9.348 1.00 0.69 H new ATOM 0 HD11 LEU A 14 -2.604 -1.172 9.384 1.00 1.23 H new ATOM 0 HD12 LEU A 14 -2.307 0.262 8.374 1.00 1.23 H new ATOM 0 HD13 LEU A 14 -2.585 -1.321 7.611 1.00 1.23 H new ATOM 0 HD21 LEU A 14 -0.978 -2.944 9.538 1.00 2.60 H new ATOM 0 HD22 LEU A 14 -0.937 -3.085 7.765 1.00 2.60 H new ATOM 0 HD23 LEU A 14 0.573 -2.833 8.673 1.00 2.60 H new ATOM 85 N GLU A 15 3.058 -1.886 6.724 1.00 0.36 N ATOM 86 CA GLU A 15 4.252 -2.386 6.012 1.00 0.48 C ATOM 87 C GLU A 15 3.935 -3.632 5.175 1.00 0.38 C ATOM 88 O GLU A 15 4.121 -4.776 5.596 1.00 0.40 O ATOM 89 CB GLU A 15 5.450 -2.627 6.959 1.00 0.66 C ATOM 90 CG GLU A 15 5.821 -1.389 7.786 1.00 1.17 C ATOM 91 CD GLU A 15 7.238 -1.454 8.382 1.00 1.17 C ATOM 92 OE1 GLU A 15 7.668 -2.526 8.868 1.00 2.00 O ATOM 93 OE2 GLU A 15 7.931 -0.408 8.456 1.00 1.84 O ATOM 0 H GLU A 15 2.687 -2.562 7.391 1.00 0.36 H new ATOM 0 HA GLU A 15 4.553 -1.596 5.324 1.00 0.48 H new ATOM 0 HB2 GLU A 15 5.213 -3.450 7.634 1.00 0.66 H new ATOM 0 HB3 GLU A 15 6.314 -2.936 6.371 1.00 0.66 H new ATOM 0 HG2 GLU A 15 5.740 -0.503 7.156 1.00 1.17 H new ATOM 0 HG3 GLU A 15 5.100 -1.272 8.595 1.00 1.17 H new ATOM 100 N PHE A 16 3.445 -3.403 3.961 1.00 0.34 N ATOM 101 CA PHE A 16 2.970 -4.453 3.055 1.00 0.26 C ATOM 102 C PHE A 16 4.025 -4.820 1.991 1.00 0.27 C ATOM 103 O PHE A 16 4.925 -4.044 1.668 1.00 0.65 O ATOM 104 CB PHE A 16 1.650 -4.002 2.394 1.00 0.35 C ATOM 105 CG PHE A 16 0.378 -4.067 3.197 1.00 0.31 C ATOM 106 CD1 PHE A 16 -0.441 -5.209 3.125 1.00 1.45 C ATOM 107 CD2 PHE A 16 -0.053 -2.925 3.897 1.00 1.58 C ATOM 108 CE1 PHE A 16 -1.719 -5.185 3.711 1.00 1.49 C ATOM 109 CE2 PHE A 16 -1.317 -2.913 4.508 1.00 1.55 C ATOM 110 CZ PHE A 16 -2.161 -4.032 4.386 1.00 0.34 C ATOM 0 H PHE A 16 3.364 -2.465 3.568 1.00 0.34 H new ATOM 0 HA PHE A 16 2.791 -5.355 3.640 1.00 0.26 H new ATOM 0 HB2 PHE A 16 1.781 -2.971 2.066 1.00 0.35 H new ATOM 0 HB3 PHE A 16 1.506 -4.606 1.498 1.00 0.35 H new ATOM 0 HD1 PHE A 16 -0.090 -6.098 2.623 1.00 1.45 H new ATOM 0 HD2 PHE A 16 0.588 -2.058 3.964 1.00 1.58 H new ATOM 0 HE1 PHE A 16 -2.361 -6.051 3.643 1.00 1.49 H new ATOM 0 HE2 PHE A 16 -1.640 -2.049 5.069 1.00 1.55 H new ATOM 0 HZ PHE A 16 -3.153 -4.006 4.812 1.00 0.34 H new ATOM 120 N ALA A 17 3.873 -6.008 1.413 1.00 0.36 N ATOM 121 CA ALA A 17 4.652 -6.542 0.288 1.00 0.39 C ATOM 122 C ALA A 17 3.752 -6.888 -0.917 1.00 0.35 C ATOM 123 O ALA A 17 2.739 -7.569 -0.761 1.00 0.44 O ATOM 124 CB ALA A 17 5.426 -7.768 0.785 1.00 0.46 C ATOM 0 H ALA A 17 3.162 -6.666 1.732 1.00 0.36 H new ATOM 0 HA ALA A 17 5.350 -5.784 -0.067 1.00 0.39 H new ATOM 0 HB1 ALA A 17 6.014 -8.184 -0.034 1.00 0.46 H new ATOM 0 HB2 ALA A 17 6.092 -7.474 1.597 1.00 0.46 H new ATOM 0 HB3 ALA A 17 4.724 -8.520 1.146 1.00 0.46 H new ATOM 130 N VAL A 18 4.099 -6.457 -2.134 1.00 0.42 N ATOM 131 CA VAL A 18 3.227 -6.529 -3.335 1.00 0.40 C ATOM 132 C VAL A 18 3.948 -7.088 -4.566 1.00 0.44 C ATOM 133 O VAL A 18 5.170 -6.995 -4.673 1.00 0.63 O ATOM 134 CB VAL A 18 2.596 -5.159 -3.663 1.00 0.46 C ATOM 135 CG1 VAL A 18 1.544 -4.735 -2.625 1.00 0.46 C ATOM 136 CG2 VAL A 18 3.661 -4.082 -3.787 1.00 0.58 C ATOM 0 H VAL A 18 5.009 -6.039 -2.327 1.00 0.42 H new ATOM 0 HA VAL A 18 2.432 -7.229 -3.080 1.00 0.40 H new ATOM 0 HB VAL A 18 2.090 -5.274 -4.622 1.00 0.46 H new ATOM 0 HG11 VAL A 18 1.130 -3.765 -2.901 1.00 0.46 H new ATOM 0 HG12 VAL A 18 0.744 -5.475 -2.594 1.00 0.46 H new ATOM 0 HG13 VAL A 18 2.010 -4.664 -1.642 1.00 0.46 H new ATOM 0 HG21 VAL A 18 3.188 -3.128 -4.018 1.00 0.58 H new ATOM 0 HG22 VAL A 18 4.205 -3.999 -2.846 1.00 0.58 H new ATOM 0 HG23 VAL A 18 4.354 -4.346 -4.585 1.00 0.58 H new ATOM 146 N GLN A 19 3.202 -7.671 -5.507 1.00 0.36 N ATOM 147 CA GLN A 19 3.770 -8.346 -6.684 1.00 0.38 C ATOM 148 C GLN A 19 3.874 -7.384 -7.891 1.00 0.43 C ATOM 149 O GLN A 19 2.919 -7.231 -8.651 1.00 0.48 O ATOM 150 CB GLN A 19 2.906 -9.600 -6.940 1.00 0.58 C ATOM 151 CG GLN A 19 3.480 -10.570 -7.985 1.00 1.49 C ATOM 152 CD GLN A 19 2.691 -11.881 -8.027 1.00 1.97 C ATOM 153 OE1 GLN A 19 3.098 -12.912 -7.504 1.00 2.85 O ATOM 154 NE2 GLN A 19 1.515 -11.902 -8.611 1.00 3.26 N ATOM 0 H GLN A 19 2.183 -7.690 -5.477 1.00 0.36 H new ATOM 0 HA GLN A 19 4.799 -8.661 -6.513 1.00 0.38 H new ATOM 0 HB2 GLN A 19 2.777 -10.135 -5.999 1.00 0.58 H new ATOM 0 HB3 GLN A 19 1.915 -9.282 -7.264 1.00 0.58 H new ATOM 0 HG2 GLN A 19 3.460 -10.100 -8.968 1.00 1.49 H new ATOM 0 HG3 GLN A 19 4.524 -10.780 -7.753 1.00 1.49 H new ATOM 0 HE21 GLN A 19 1.151 -11.059 -9.054 1.00 3.26 H new ATOM 0 HE22 GLN A 19 0.966 -12.762 -8.621 1.00 3.26 H new ATOM 163 N MET A 20 5.030 -6.728 -8.076 1.00 0.50 N ATOM 164 CA MET A 20 5.363 -5.867 -9.237 1.00 0.56 C ATOM 165 C MET A 20 6.862 -5.896 -9.615 1.00 0.80 C ATOM 166 O MET A 20 7.700 -6.319 -8.809 1.00 1.09 O ATOM 167 CB MET A 20 4.899 -4.422 -8.983 1.00 0.48 C ATOM 168 CG MET A 20 5.355 -3.878 -7.624 1.00 0.56 C ATOM 169 SD MET A 20 5.384 -2.070 -7.520 1.00 0.93 S ATOM 170 CE MET A 20 5.322 -1.888 -5.722 1.00 0.62 C ATOM 0 H MET A 20 5.792 -6.780 -7.399 1.00 0.50 H new ATOM 0 HA MET A 20 4.825 -6.279 -10.090 1.00 0.56 H new ATOM 0 HB2 MET A 20 5.284 -3.778 -9.774 1.00 0.48 H new ATOM 0 HB3 MET A 20 3.811 -4.380 -9.039 1.00 0.48 H new ATOM 0 HG2 MET A 20 4.693 -4.265 -6.850 1.00 0.56 H new ATOM 0 HG3 MET A 20 6.353 -4.259 -7.409 1.00 0.56 H new ATOM 0 HE1 MET A 20 5.931 -1.035 -5.421 1.00 0.62 H new ATOM 0 HE2 MET A 20 4.291 -1.726 -5.408 1.00 0.62 H new ATOM 0 HE3 MET A 20 5.707 -2.793 -5.251 1.00 0.62 H new ATOM 180 N THR A 21 7.204 -5.461 -10.836 1.00 0.81 N ATOM 181 CA THR A 21 8.551 -5.615 -11.436 1.00 1.12 C ATOM 182 C THR A 21 9.096 -4.438 -12.266 1.00 0.87 C ATOM 183 O THR A 21 10.310 -4.413 -12.471 1.00 0.99 O ATOM 184 CB THR A 21 8.634 -6.899 -12.291 1.00 1.72 C ATOM 185 OG1 THR A 21 7.494 -7.047 -13.111 1.00 3.41 O ATOM 186 CG2 THR A 21 8.732 -8.161 -11.439 1.00 1.12 C ATOM 0 H THR A 21 6.546 -4.983 -11.451 1.00 0.81 H new ATOM 0 HA THR A 21 9.192 -5.662 -10.556 1.00 1.12 H new ATOM 0 HB THR A 21 9.536 -6.785 -12.892 1.00 1.72 H new ATOM 0 HG1 THR A 21 7.577 -7.867 -13.641 1.00 3.41 H new ATOM 0 HG21 THR A 21 8.788 -9.035 -12.088 1.00 1.12 H new ATOM 0 HG22 THR A 21 9.627 -8.112 -10.818 1.00 1.12 H new ATOM 0 HG23 THR A 21 7.852 -8.239 -10.801 1.00 1.12 H new ATOM 194 N CYS A 22 8.294 -3.462 -12.722 1.00 0.67 N ATOM 195 CA CYS A 22 8.803 -2.256 -13.399 1.00 0.57 C ATOM 196 C CYS A 22 8.098 -0.922 -13.003 1.00 0.53 C ATOM 197 O CYS A 22 7.062 -0.905 -12.335 1.00 0.53 O ATOM 198 CB CYS A 22 8.916 -2.547 -14.912 1.00 0.83 C ATOM 199 SG CYS A 22 7.399 -2.798 -15.880 1.00 1.01 S ATOM 0 H CYS A 22 7.278 -3.485 -12.633 1.00 0.67 H new ATOM 0 HA CYS A 22 9.807 -2.046 -13.030 1.00 0.57 H new ATOM 0 HB2 CYS A 22 9.462 -1.720 -15.366 1.00 0.83 H new ATOM 0 HB3 CYS A 22 9.532 -3.438 -15.030 1.00 0.83 H new ATOM 0 HG CYS A 22 7.709 -3.026 -17.122 1.00 1.01 H new ATOM 204 N GLN A 23 8.721 0.206 -13.380 1.00 0.57 N ATOM 205 CA GLN A 23 8.610 1.511 -12.699 1.00 0.68 C ATOM 206 C GLN A 23 7.264 2.252 -12.834 1.00 0.87 C ATOM 207 O GLN A 23 6.925 3.065 -11.966 1.00 1.02 O ATOM 208 CB GLN A 23 9.755 2.433 -13.148 1.00 0.91 C ATOM 209 CG GLN A 23 11.169 1.837 -13.034 1.00 1.55 C ATOM 210 CD GLN A 23 11.467 1.046 -11.759 1.00 2.29 C ATOM 211 OE1 GLN A 23 11.948 -0.079 -11.816 1.00 4.24 O ATOM 212 NE2 GLN A 23 11.236 1.560 -10.571 1.00 1.54 N ATOM 0 H GLN A 23 9.336 0.238 -14.193 1.00 0.57 H new ATOM 0 HA GLN A 23 8.676 1.264 -11.639 1.00 0.68 H new ATOM 0 HB2 GLN A 23 9.583 2.719 -14.186 1.00 0.91 H new ATOM 0 HB3 GLN A 23 9.716 3.347 -12.555 1.00 0.91 H new ATOM 0 HG2 GLN A 23 11.335 1.183 -13.890 1.00 1.55 H new ATOM 0 HG3 GLN A 23 11.891 2.650 -13.109 1.00 1.55 H new ATOM 0 HE21 GLN A 23 10.836 2.495 -10.489 1.00 1.54 H new ATOM 0 HE22 GLN A 23 11.457 1.024 -9.732 1.00 1.54 H new ATOM 221 N SER A 24 6.459 1.971 -13.861 1.00 1.02 N ATOM 222 CA SER A 24 5.099 2.529 -13.963 1.00 1.30 C ATOM 223 C SER A 24 4.106 1.828 -13.029 1.00 1.09 C ATOM 224 O SER A 24 3.199 2.483 -12.516 1.00 1.33 O ATOM 225 CB SER A 24 4.592 2.475 -15.408 1.00 1.71 C ATOM 226 OG SER A 24 5.465 3.141 -16.311 1.00 2.23 O ATOM 0 H SER A 24 6.721 1.361 -14.636 1.00 1.02 H new ATOM 0 HA SER A 24 5.166 3.570 -13.647 1.00 1.30 H new ATOM 0 HB2 SER A 24 4.482 1.434 -15.713 1.00 1.71 H new ATOM 0 HB3 SER A 24 3.603 2.929 -15.461 1.00 1.71 H new ATOM 0 HG SER A 24 5.104 3.080 -17.220 1.00 2.23 H new ATOM 232 N CYS A 25 4.289 0.538 -12.731 1.00 0.80 N ATOM 233 CA CYS A 25 3.368 -0.231 -11.903 1.00 0.68 C ATOM 234 C CYS A 25 3.449 0.193 -10.415 1.00 0.33 C ATOM 235 O CYS A 25 2.448 0.241 -9.715 1.00 0.31 O ATOM 236 CB CYS A 25 3.679 -1.710 -12.158 1.00 0.92 C ATOM 237 SG CYS A 25 3.510 -2.225 -13.890 1.00 1.46 S ATOM 0 H CYS A 25 5.088 -0.002 -13.063 1.00 0.80 H new ATOM 0 HA CYS A 25 2.328 -0.039 -12.168 1.00 0.68 H new ATOM 0 HB2 CYS A 25 4.697 -1.917 -11.828 1.00 0.92 H new ATOM 0 HB3 CYS A 25 3.015 -2.319 -11.544 1.00 0.92 H new ATOM 0 HG CYS A 25 3.797 -3.488 -13.997 1.00 1.46 H new ATOM 242 N VAL A 26 4.631 0.609 -9.970 1.00 0.32 N ATOM 243 CA VAL A 26 4.917 1.335 -8.722 1.00 0.37 C ATOM 244 C VAL A 26 3.955 2.501 -8.559 1.00 0.47 C ATOM 245 O VAL A 26 3.232 2.566 -7.568 1.00 0.57 O ATOM 246 CB VAL A 26 6.374 1.852 -8.757 1.00 0.48 C ATOM 247 CG1 VAL A 26 6.994 1.982 -7.374 1.00 0.61 C ATOM 248 CG2 VAL A 26 7.285 0.881 -9.480 1.00 0.67 C ATOM 0 H VAL A 26 5.481 0.438 -10.507 1.00 0.32 H new ATOM 0 HA VAL A 26 4.789 0.661 -7.875 1.00 0.37 H new ATOM 0 HB VAL A 26 6.301 2.820 -9.252 1.00 0.48 H new ATOM 0 HG11 VAL A 26 8.016 2.349 -7.467 1.00 0.61 H new ATOM 0 HG12 VAL A 26 6.409 2.683 -6.778 1.00 0.61 H new ATOM 0 HG13 VAL A 26 7.001 1.008 -6.885 1.00 0.61 H new ATOM 0 HG21 VAL A 26 8.302 1.273 -9.488 1.00 0.67 H new ATOM 0 HG22 VAL A 26 7.271 -0.081 -8.968 1.00 0.67 H new ATOM 0 HG23 VAL A 26 6.938 0.752 -10.505 1.00 0.67 H new ATOM 258 N ASP A 27 3.859 3.374 -9.565 1.00 0.55 N ATOM 259 CA ASP A 27 2.905 4.484 -9.569 1.00 0.75 C ATOM 260 C ASP A 27 1.453 4.012 -9.698 1.00 0.53 C ATOM 261 O ASP A 27 0.574 4.643 -9.117 1.00 0.63 O ATOM 262 CB ASP A 27 3.289 5.529 -10.627 1.00 1.20 C ATOM 263 CG ASP A 27 4.124 6.648 -9.998 1.00 2.27 C ATOM 264 OD1 ASP A 27 5.238 6.363 -9.497 1.00 3.71 O ATOM 265 OD2 ASP A 27 3.659 7.815 -9.984 1.00 2.67 O ATOM 0 H ASP A 27 4.442 3.330 -10.401 1.00 0.55 H new ATOM 0 HA ASP A 27 2.963 4.972 -8.596 1.00 0.75 H new ATOM 0 HB2 ASP A 27 3.854 5.053 -11.429 1.00 1.20 H new ATOM 0 HB3 ASP A 27 2.389 5.948 -11.076 1.00 1.20 H new ATOM 270 N ALA A 28 1.188 2.868 -10.331 1.00 0.38 N ATOM 271 CA ALA A 28 -0.174 2.320 -10.386 1.00 0.36 C ATOM 272 C ALA A 28 -0.658 1.848 -9.004 1.00 0.39 C ATOM 273 O ALA A 28 -1.805 2.092 -8.615 1.00 0.53 O ATOM 274 CB ALA A 28 -0.250 1.182 -11.407 1.00 0.34 C ATOM 0 H ALA A 28 1.890 2.305 -10.810 1.00 0.38 H new ATOM 0 HA ALA A 28 -0.840 3.122 -10.704 1.00 0.36 H new ATOM 0 HB1 ALA A 28 -1.265 0.786 -11.436 1.00 0.34 H new ATOM 0 HB2 ALA A 28 0.021 1.559 -12.393 1.00 0.34 H new ATOM 0 HB3 ALA A 28 0.440 0.389 -11.120 1.00 0.34 H new ATOM 280 N VAL A 29 0.231 1.219 -8.225 1.00 0.34 N ATOM 281 CA VAL A 29 -0.052 0.761 -6.876 1.00 0.45 C ATOM 282 C VAL A 29 -0.064 1.938 -5.894 1.00 0.55 C ATOM 283 O VAL A 29 -0.937 1.976 -5.032 1.00 0.74 O ATOM 284 CB VAL A 29 0.927 -0.375 -6.506 1.00 0.53 C ATOM 285 CG1 VAL A 29 0.566 -1.011 -5.172 1.00 0.72 C ATOM 286 CG2 VAL A 29 0.904 -1.564 -7.489 1.00 0.52 C ATOM 0 H VAL A 29 1.183 1.014 -8.529 1.00 0.34 H new ATOM 0 HA VAL A 29 -1.054 0.336 -6.817 1.00 0.45 H new ATOM 0 HB VAL A 29 1.897 0.121 -6.506 1.00 0.53 H new ATOM 0 HG11 VAL A 29 1.276 -1.806 -4.944 1.00 0.72 H new ATOM 0 HG12 VAL A 29 0.603 -0.256 -4.387 1.00 0.72 H new ATOM 0 HG13 VAL A 29 -0.440 -1.428 -5.228 1.00 0.72 H new ATOM 0 HG21 VAL A 29 1.618 -2.320 -7.162 1.00 0.52 H new ATOM 0 HG22 VAL A 29 -0.096 -1.996 -7.514 1.00 0.52 H new ATOM 0 HG23 VAL A 29 1.175 -1.217 -8.486 1.00 0.52 H new ATOM 296 N ARG A 30 0.773 2.973 -6.086 1.00 0.47 N ATOM 297 CA ARG A 30 0.682 4.250 -5.348 1.00 0.57 C ATOM 298 C ARG A 30 -0.658 4.950 -5.612 1.00 0.63 C ATOM 299 O ARG A 30 -1.239 5.535 -4.700 1.00 0.71 O ATOM 300 CB ARG A 30 1.835 5.189 -5.780 1.00 0.60 C ATOM 301 CG ARG A 30 3.254 4.771 -5.339 1.00 0.53 C ATOM 302 CD ARG A 30 4.359 5.311 -6.274 1.00 0.54 C ATOM 303 NE ARG A 30 5.665 5.396 -5.606 1.00 1.17 N ATOM 304 CZ ARG A 30 6.843 5.588 -6.171 1.00 2.17 C ATOM 305 NH1 ARG A 30 7.010 5.699 -7.457 1.00 3.29 N ATOM 306 NH2 ARG A 30 7.913 5.685 -5.439 1.00 2.71 N ATOM 0 H ARG A 30 1.537 2.949 -6.761 1.00 0.47 H new ATOM 0 HA ARG A 30 0.757 4.028 -4.284 1.00 0.57 H new ATOM 0 HB2 ARG A 30 1.823 5.269 -6.867 1.00 0.60 H new ATOM 0 HB3 ARG A 30 1.633 6.185 -5.385 1.00 0.60 H new ATOM 0 HG2 ARG A 30 3.435 5.131 -4.326 1.00 0.53 H new ATOM 0 HG3 ARG A 30 3.313 3.683 -5.306 1.00 0.53 H new ATOM 0 HD2 ARG A 30 4.442 4.663 -7.147 1.00 0.54 H new ATOM 0 HD3 ARG A 30 4.074 6.299 -6.636 1.00 0.54 H new ATOM 0 HE ARG A 30 5.661 5.295 -4.591 1.00 1.17 H new ATOM 0 HH11 ARG A 30 6.207 5.638 -8.083 1.00 3.29 H new ATOM 0 HH12 ARG A 30 7.944 5.847 -7.839 1.00 3.29 H new ATOM 0 HH21 ARG A 30 7.845 5.613 -4.424 1.00 2.71 H new ATOM 0 HH22 ARG A 30 8.821 5.833 -5.880 1.00 2.71 H new ATOM 320 N LYS A 31 -1.194 4.874 -6.835 1.00 0.62 N ATOM 321 CA LYS A 31 -2.414 5.597 -7.239 1.00 0.68 C ATOM 322 C LYS A 31 -3.718 4.946 -6.783 1.00 0.73 C ATOM 323 O LYS A 31 -4.689 5.669 -6.572 1.00 0.78 O ATOM 324 CB LYS A 31 -2.352 5.961 -8.729 1.00 0.76 C ATOM 325 CG LYS A 31 -1.354 7.125 -8.797 1.00 0.72 C ATOM 326 CD LYS A 31 -1.008 7.650 -10.182 1.00 0.83 C ATOM 327 CE LYS A 31 0.029 8.740 -9.903 1.00 0.85 C ATOM 328 NZ LYS A 31 0.369 9.524 -11.110 1.00 1.07 N ATOM 0 H LYS A 31 -0.793 4.306 -7.581 1.00 0.62 H new ATOM 0 HA LYS A 31 -2.433 6.537 -6.688 1.00 0.68 H new ATOM 0 HB2 LYS A 31 -2.018 5.116 -9.331 1.00 0.76 H new ATOM 0 HB3 LYS A 31 -3.331 6.255 -9.107 1.00 0.76 H new ATOM 0 HG2 LYS A 31 -1.755 7.952 -8.211 1.00 0.72 H new ATOM 0 HG3 LYS A 31 -0.430 6.809 -8.312 1.00 0.72 H new ATOM 0 HD2 LYS A 31 -0.603 6.864 -10.819 1.00 0.83 H new ATOM 0 HD3 LYS A 31 -1.885 8.051 -10.690 1.00 0.83 H new ATOM 0 HE2 LYS A 31 -0.353 9.411 -9.134 1.00 0.85 H new ATOM 0 HE3 LYS A 31 0.934 8.282 -9.505 1.00 0.85 H new ATOM 0 HZ1 LYS A 31 1.075 10.248 -10.866 1.00 1.07 H new ATOM 0 HZ2 LYS A 31 0.759 8.891 -11.837 1.00 1.07 H new ATOM 0 HZ3 LYS A 31 -0.488 9.985 -11.477 1.00 1.07 H new ATOM 342 N SER A 32 -3.707 3.650 -6.458 1.00 0.73 N ATOM 343 CA SER A 32 -4.786 3.006 -5.680 1.00 0.77 C ATOM 344 C SER A 32 -4.812 3.427 -4.191 1.00 0.84 C ATOM 345 O SER A 32 -5.774 3.127 -3.487 1.00 1.29 O ATOM 346 CB SER A 32 -4.721 1.483 -5.849 1.00 0.77 C ATOM 347 OG SER A 32 -5.947 0.865 -5.490 1.00 1.06 O ATOM 0 H SER A 32 -2.955 3.014 -6.723 1.00 0.73 H new ATOM 0 HA SER A 32 -5.732 3.363 -6.087 1.00 0.77 H new ATOM 0 HB2 SER A 32 -4.480 1.241 -6.884 1.00 0.77 H new ATOM 0 HB3 SER A 32 -3.916 1.082 -5.233 1.00 0.77 H new ATOM 0 HG SER A 32 -5.788 0.215 -4.774 1.00 1.06 H new ATOM 353 N LEU A 33 -3.794 4.166 -3.718 1.00 0.56 N ATOM 354 CA LEU A 33 -3.693 4.756 -2.367 1.00 0.55 C ATOM 355 C LEU A 33 -3.877 6.287 -2.370 1.00 0.46 C ATOM 356 O LEU A 33 -4.202 6.892 -1.346 1.00 0.52 O ATOM 357 CB LEU A 33 -2.307 4.422 -1.773 1.00 0.65 C ATOM 358 CG LEU A 33 -1.816 2.966 -1.890 1.00 0.52 C ATOM 359 CD1 LEU A 33 -0.320 2.854 -1.592 1.00 0.70 C ATOM 360 CD2 LEU A 33 -2.541 2.062 -0.909 1.00 0.63 C ATOM 0 H LEU A 33 -2.979 4.380 -4.293 1.00 0.56 H new ATOM 0 HA LEU A 33 -4.496 4.329 -1.766 1.00 0.55 H new ATOM 0 HB2 LEU A 33 -1.571 5.065 -2.255 1.00 0.65 H new ATOM 0 HB3 LEU A 33 -2.321 4.689 -0.716 1.00 0.65 H new ATOM 0 HG LEU A 33 -2.019 2.657 -2.915 1.00 0.52 H new ATOM 0 HD11 LEU A 33 -0.008 1.814 -1.684 1.00 0.70 H new ATOM 0 HD12 LEU A 33 0.239 3.465 -2.301 1.00 0.70 H new ATOM 0 HD13 LEU A 33 -0.124 3.204 -0.578 1.00 0.70 H new ATOM 0 HD21 LEU A 33 -2.174 1.041 -1.015 1.00 0.63 H new ATOM 0 HD22 LEU A 33 -2.360 2.409 0.108 1.00 0.63 H new ATOM 0 HD23 LEU A 33 -3.611 2.086 -1.115 1.00 0.63 H new ATOM 372 N GLN A 34 -3.653 6.932 -3.516 1.00 0.50 N ATOM 373 CA GLN A 34 -3.841 8.368 -3.707 1.00 0.62 C ATOM 374 C GLN A 34 -5.321 8.718 -3.871 1.00 0.74 C ATOM 375 O GLN A 34 -6.068 8.067 -4.606 1.00 0.88 O ATOM 376 CB GLN A 34 -2.994 8.849 -4.890 1.00 0.74 C ATOM 377 CG GLN A 34 -1.553 9.119 -4.434 1.00 0.99 C ATOM 378 CD GLN A 34 -0.577 9.239 -5.601 1.00 1.11 C ATOM 379 OE1 GLN A 34 -0.913 9.710 -6.678 1.00 1.48 O ATOM 380 NE2 GLN A 34 0.662 8.835 -5.432 1.00 1.41 N ATOM 0 H GLN A 34 -3.327 6.456 -4.358 1.00 0.50 H new ATOM 0 HA GLN A 34 -3.500 8.893 -2.815 1.00 0.62 H new ATOM 0 HB2 GLN A 34 -2.999 8.098 -5.680 1.00 0.74 H new ATOM 0 HB3 GLN A 34 -3.426 9.757 -5.311 1.00 0.74 H new ATOM 0 HG2 GLN A 34 -1.528 10.038 -3.849 1.00 0.99 H new ATOM 0 HG3 GLN A 34 -1.228 8.313 -3.776 1.00 0.99 H new ATOM 0 HE21 GLN A 34 0.952 8.441 -4.537 1.00 1.41 H new ATOM 0 HE22 GLN A 34 1.333 8.916 -6.196 1.00 1.41 H new ATOM 389 N GLY A 35 -5.743 9.757 -3.164 1.00 0.83 N ATOM 390 CA GLY A 35 -7.144 10.186 -3.091 1.00 0.99 C ATOM 391 C GLY A 35 -8.071 9.218 -2.336 1.00 0.95 C ATOM 392 O GLY A 35 -9.273 9.195 -2.612 1.00 1.31 O ATOM 0 H GLY A 35 -5.114 10.340 -2.612 1.00 0.83 H new ATOM 0 HA2 GLY A 35 -7.187 11.162 -2.607 1.00 0.99 H new ATOM 0 HA3 GLY A 35 -7.524 10.316 -4.104 1.00 0.99 H new ATOM 396 N VAL A 36 -7.542 8.391 -1.424 1.00 0.66 N ATOM 397 CA VAL A 36 -8.314 7.510 -0.532 1.00 0.63 C ATOM 398 C VAL A 36 -8.521 8.176 0.835 1.00 0.51 C ATOM 399 O VAL A 36 -7.561 8.446 1.561 1.00 0.55 O ATOM 400 CB VAL A 36 -7.619 6.142 -0.380 1.00 0.66 C ATOM 401 CG1 VAL A 36 -8.393 5.204 0.553 1.00 0.87 C ATOM 402 CG2 VAL A 36 -7.489 5.431 -1.733 1.00 0.81 C ATOM 0 H VAL A 36 -6.535 8.313 -1.281 1.00 0.66 H new ATOM 0 HA VAL A 36 -9.294 7.341 -0.979 1.00 0.63 H new ATOM 0 HB VAL A 36 -6.636 6.355 0.040 1.00 0.66 H new ATOM 0 HG11 VAL A 36 -7.867 4.252 0.630 1.00 0.87 H new ATOM 0 HG12 VAL A 36 -8.471 5.657 1.541 1.00 0.87 H new ATOM 0 HG13 VAL A 36 -9.392 5.035 0.152 1.00 0.87 H new ATOM 0 HG21 VAL A 36 -6.995 4.469 -1.593 1.00 0.81 H new ATOM 0 HG22 VAL A 36 -8.480 5.271 -2.157 1.00 0.81 H new ATOM 0 HG23 VAL A 36 -6.899 6.046 -2.412 1.00 0.81 H new ATOM 412 N ALA A 37 -9.780 8.400 1.220 1.00 0.62 N ATOM 413 CA ALA A 37 -10.122 8.946 2.533 1.00 0.67 C ATOM 414 C ALA A 37 -9.710 7.987 3.664 1.00 0.56 C ATOM 415 O ALA A 37 -10.163 6.837 3.718 1.00 0.68 O ATOM 416 CB ALA A 37 -11.618 9.265 2.581 1.00 1.01 C ATOM 0 H ALA A 37 -10.589 8.208 0.630 1.00 0.62 H new ATOM 0 HA ALA A 37 -9.564 9.870 2.687 1.00 0.67 H new ATOM 0 HB1 ALA A 37 -11.872 9.672 3.560 1.00 1.01 H new ATOM 0 HB2 ALA A 37 -11.859 9.997 1.810 1.00 1.01 H new ATOM 0 HB3 ALA A 37 -12.190 8.354 2.407 1.00 1.01 H new ATOM 422 N GLY A 38 -8.869 8.487 4.573 1.00 0.51 N ATOM 423 CA GLY A 38 -8.195 7.735 5.633 1.00 0.50 C ATOM 424 C GLY A 38 -6.718 7.430 5.345 1.00 0.44 C ATOM 425 O GLY A 38 -6.028 6.885 6.204 1.00 0.41 O ATOM 0 H GLY A 38 -8.628 9.478 4.590 1.00 0.51 H new ATOM 0 HA2 GLY A 38 -8.263 8.299 6.563 1.00 0.50 H new ATOM 0 HA3 GLY A 38 -8.725 6.795 5.790 1.00 0.50 H new ATOM 429 N VAL A 39 -6.188 7.795 4.174 1.00 0.47 N ATOM 430 CA VAL A 39 -4.752 7.737 3.845 1.00 0.52 C ATOM 431 C VAL A 39 -4.165 9.150 3.861 1.00 0.68 C ATOM 432 O VAL A 39 -4.711 10.067 3.243 1.00 0.99 O ATOM 433 CB VAL A 39 -4.527 7.048 2.487 1.00 0.71 C ATOM 434 CG1 VAL A 39 -3.032 6.941 2.150 1.00 1.97 C ATOM 435 CG2 VAL A 39 -5.094 5.621 2.475 1.00 2.07 C ATOM 0 H VAL A 39 -6.757 8.149 3.405 1.00 0.47 H new ATOM 0 HA VAL A 39 -4.237 7.140 4.597 1.00 0.52 H new ATOM 0 HB VAL A 39 -5.041 7.667 1.752 1.00 0.71 H new ATOM 0 HG11 VAL A 39 -2.911 6.449 1.185 1.00 1.97 H new ATOM 0 HG12 VAL A 39 -2.597 7.939 2.106 1.00 1.97 H new ATOM 0 HG13 VAL A 39 -2.526 6.358 2.920 1.00 1.97 H new ATOM 0 HG21 VAL A 39 -4.916 5.167 1.500 1.00 2.07 H new ATOM 0 HG22 VAL A 39 -4.603 5.028 3.246 1.00 2.07 H new ATOM 0 HG23 VAL A 39 -6.166 5.654 2.670 1.00 2.07 H new ATOM 445 N GLN A 40 -3.049 9.328 4.570 1.00 0.54 N ATOM 446 CA GLN A 40 -2.333 10.604 4.694 1.00 0.58 C ATOM 447 C GLN A 40 -1.126 10.682 3.758 1.00 0.56 C ATOM 448 O GLN A 40 -0.986 11.644 2.998 1.00 0.75 O ATOM 449 CB GLN A 40 -1.905 10.792 6.164 1.00 0.60 C ATOM 450 CG GLN A 40 -3.027 11.402 7.019 1.00 0.78 C ATOM 451 CD GLN A 40 -3.363 12.808 6.565 1.00 2.14 C ATOM 452 OE1 GLN A 40 -4.361 13.067 5.904 1.00 3.76 O ATOM 453 NE2 GLN A 40 -2.503 13.752 6.839 1.00 2.61 N ATOM 0 H GLN A 40 -2.605 8.570 5.088 1.00 0.54 H new ATOM 0 HA GLN A 40 -3.004 11.410 4.397 1.00 0.58 H new ATOM 0 HB2 GLN A 40 -1.614 9.829 6.582 1.00 0.60 H new ATOM 0 HB3 GLN A 40 -1.027 11.436 6.206 1.00 0.60 H new ATOM 0 HG2 GLN A 40 -3.916 10.775 6.956 1.00 0.78 H new ATOM 0 HG3 GLN A 40 -2.722 11.419 8.065 1.00 0.78 H new ATOM 0 HE21 GLN A 40 -1.671 13.540 7.389 1.00 2.61 H new ATOM 0 HE22 GLN A 40 -2.664 14.701 6.503 1.00 2.61 H new ATOM 462 N ASP A 41 -0.277 9.659 3.786 1.00 0.41 N ATOM 463 CA ASP A 41 0.957 9.554 3.011 1.00 0.41 C ATOM 464 C ASP A 41 1.239 8.086 2.676 1.00 0.30 C ATOM 465 O ASP A 41 0.692 7.157 3.271 1.00 0.25 O ATOM 466 CB ASP A 41 2.151 10.136 3.794 1.00 0.47 C ATOM 467 CG ASP A 41 2.264 11.665 3.744 1.00 0.80 C ATOM 468 OD1 ASP A 41 2.298 12.244 2.629 1.00 2.26 O ATOM 469 OD2 ASP A 41 2.406 12.289 4.822 1.00 1.65 O ATOM 0 H ASP A 41 -0.437 8.843 4.376 1.00 0.41 H new ATOM 0 HA ASP A 41 0.829 10.125 2.091 1.00 0.41 H new ATOM 0 HB2 ASP A 41 2.072 9.825 4.836 1.00 0.47 H new ATOM 0 HB3 ASP A 41 3.071 9.704 3.401 1.00 0.47 H new ATOM 474 N VAL A 42 2.141 7.886 1.725 1.00 0.31 N ATOM 475 CA VAL A 42 2.604 6.584 1.245 1.00 0.31 C ATOM 476 C VAL A 42 4.093 6.635 0.914 1.00 0.33 C ATOM 477 O VAL A 42 4.636 7.709 0.635 1.00 0.38 O ATOM 478 CB VAL A 42 1.794 6.111 0.024 1.00 0.44 C ATOM 479 CG1 VAL A 42 0.312 5.939 0.360 1.00 0.80 C ATOM 480 CG2 VAL A 42 1.895 7.018 -1.210 1.00 0.62 C ATOM 0 H VAL A 42 2.594 8.662 1.242 1.00 0.31 H new ATOM 0 HA VAL A 42 2.448 5.861 2.045 1.00 0.31 H new ATOM 0 HB VAL A 42 2.253 5.155 -0.230 1.00 0.44 H new ATOM 0 HG11 VAL A 42 -0.226 5.604 -0.527 1.00 0.80 H new ATOM 0 HG12 VAL A 42 0.202 5.198 1.152 1.00 0.80 H new ATOM 0 HG13 VAL A 42 -0.098 6.892 0.695 1.00 0.80 H new ATOM 0 HG21 VAL A 42 1.291 6.603 -2.017 1.00 0.62 H new ATOM 0 HG22 VAL A 42 1.531 8.014 -0.960 1.00 0.62 H new ATOM 0 HG23 VAL A 42 2.935 7.082 -1.530 1.00 0.62 H new ATOM 490 N GLU A 43 4.760 5.485 0.913 1.00 0.34 N ATOM 491 CA GLU A 43 6.127 5.336 0.407 1.00 0.42 C ATOM 492 C GLU A 43 6.303 3.940 -0.221 1.00 0.46 C ATOM 493 O GLU A 43 5.929 2.936 0.372 1.00 0.56 O ATOM 494 CB GLU A 43 7.139 5.659 1.528 1.00 0.45 C ATOM 495 CG GLU A 43 8.577 5.595 1.013 1.00 0.60 C ATOM 496 CD GLU A 43 9.577 6.403 1.849 1.00 1.49 C ATOM 497 OE1 GLU A 43 9.874 6.052 3.017 1.00 2.64 O ATOM 498 OE2 GLU A 43 10.126 7.392 1.309 1.00 2.17 O ATOM 0 H GLU A 43 4.363 4.615 1.268 1.00 0.34 H new ATOM 0 HA GLU A 43 6.324 6.052 -0.391 1.00 0.42 H new ATOM 0 HB2 GLU A 43 6.937 6.653 1.928 1.00 0.45 H new ATOM 0 HB3 GLU A 43 7.013 4.954 2.349 1.00 0.45 H new ATOM 0 HG2 GLU A 43 8.897 4.553 0.989 1.00 0.60 H new ATOM 0 HG3 GLU A 43 8.600 5.959 -0.014 1.00 0.60 H new ATOM 505 N VAL A 44 6.823 3.852 -1.446 1.00 0.44 N ATOM 506 CA VAL A 44 6.863 2.608 -2.239 1.00 0.30 C ATOM 507 C VAL A 44 8.283 2.346 -2.719 1.00 0.38 C ATOM 508 O VAL A 44 8.943 3.210 -3.298 1.00 0.55 O ATOM 509 CB VAL A 44 5.820 2.632 -3.361 1.00 0.43 C ATOM 510 CG1 VAL A 44 5.900 1.387 -4.234 1.00 1.50 C ATOM 511 CG2 VAL A 44 4.421 2.646 -2.746 1.00 1.88 C ATOM 0 H VAL A 44 7.236 4.650 -1.928 1.00 0.44 H new ATOM 0 HA VAL A 44 6.585 1.762 -1.610 1.00 0.30 H new ATOM 0 HB VAL A 44 6.016 3.518 -3.965 1.00 0.43 H new ATOM 0 HG11 VAL A 44 5.144 1.443 -5.017 1.00 1.50 H new ATOM 0 HG12 VAL A 44 6.889 1.324 -4.688 1.00 1.50 H new ATOM 0 HG13 VAL A 44 5.724 0.502 -3.623 1.00 1.50 H new ATOM 0 HG21 VAL A 44 3.675 2.663 -3.540 1.00 1.88 H new ATOM 0 HG22 VAL A 44 4.282 1.753 -2.137 1.00 1.88 H new ATOM 0 HG23 VAL A 44 4.307 3.532 -2.122 1.00 1.88 H new ATOM 521 N HIS A 45 8.750 1.140 -2.415 1.00 0.42 N ATOM 522 CA HIS A 45 10.104 0.653 -2.625 1.00 0.45 C ATOM 523 C HIS A 45 10.078 -0.604 -3.493 1.00 0.38 C ATOM 524 O HIS A 45 9.994 -1.716 -2.973 1.00 0.37 O ATOM 525 CB HIS A 45 10.716 0.367 -1.246 1.00 0.55 C ATOM 526 CG HIS A 45 11.186 1.589 -0.497 1.00 0.73 C ATOM 527 ND1 HIS A 45 12.492 1.991 -0.381 1.00 0.95 N ATOM 528 CD2 HIS A 45 10.436 2.474 0.227 1.00 0.80 C ATOM 529 CE1 HIS A 45 12.544 3.094 0.374 1.00 1.15 C ATOM 530 NE2 HIS A 45 11.305 3.440 0.767 1.00 1.06 N ATOM 0 H HIS A 45 8.152 0.433 -1.988 1.00 0.42 H new ATOM 0 HA HIS A 45 10.709 1.395 -3.147 1.00 0.45 H new ATOM 0 HB2 HIS A 45 9.977 -0.153 -0.637 1.00 0.55 H new ATOM 0 HB3 HIS A 45 11.560 -0.311 -1.372 1.00 0.55 H new ATOM 0 HD1 HIS A 45 13.295 1.524 -0.803 1.00 0.95 H new ATOM 0 HD2 HIS A 45 9.365 2.438 0.361 1.00 0.80 H new ATOM 0 HE1 HIS A 45 13.447 3.628 0.630 1.00 1.15 H new ATOM 538 N LEU A 46 10.199 -0.451 -4.810 1.00 0.44 N ATOM 539 CA LEU A 46 10.400 -1.566 -5.745 1.00 0.52 C ATOM 540 C LEU A 46 11.626 -2.409 -5.368 1.00 0.48 C ATOM 541 O LEU A 46 11.584 -3.636 -5.372 1.00 0.64 O ATOM 542 CB LEU A 46 10.473 -0.966 -7.146 1.00 0.70 C ATOM 543 CG LEU A 46 10.640 -1.941 -8.341 1.00 1.04 C ATOM 544 CD1 LEU A 46 10.167 -3.383 -8.163 1.00 2.03 C ATOM 545 CD2 LEU A 46 9.681 -1.456 -9.413 1.00 1.30 C ATOM 0 H LEU A 46 10.160 0.460 -5.267 1.00 0.44 H new ATOM 0 HA LEU A 46 9.570 -2.271 -5.703 1.00 0.52 H new ATOM 0 HB2 LEU A 46 9.564 -0.387 -7.310 1.00 0.70 H new ATOM 0 HB3 LEU A 46 11.307 -0.264 -7.167 1.00 0.70 H new ATOM 0 HG LEU A 46 11.714 -1.945 -8.526 1.00 1.04 H new ATOM 0 HD11 LEU A 46 10.349 -3.942 -9.081 1.00 2.03 H new ATOM 0 HD12 LEU A 46 10.714 -3.846 -7.342 1.00 2.03 H new ATOM 0 HD13 LEU A 46 9.100 -3.391 -7.939 1.00 2.03 H new ATOM 0 HD21 LEU A 46 9.752 -2.105 -10.286 1.00 1.30 H new ATOM 0 HD22 LEU A 46 8.662 -1.478 -9.026 1.00 1.30 H new ATOM 0 HD23 LEU A 46 9.939 -0.436 -9.698 1.00 1.30 H new ATOM 557 N GLU A 47 12.668 -1.746 -4.883 1.00 0.41 N ATOM 558 CA GLU A 47 13.896 -2.399 -4.386 1.00 0.51 C ATOM 559 C GLU A 47 13.704 -3.234 -3.090 1.00 0.62 C ATOM 560 O GLU A 47 14.618 -3.941 -2.662 1.00 0.99 O ATOM 561 CB GLU A 47 15.029 -1.362 -4.294 1.00 0.57 C ATOM 562 CG GLU A 47 15.532 -0.978 -5.698 1.00 1.00 C ATOM 563 CD GLU A 47 16.170 0.415 -5.729 1.00 1.67 C ATOM 564 OE1 GLU A 47 17.270 0.620 -5.160 1.00 2.92 O ATOM 565 OE2 GLU A 47 15.560 1.334 -6.332 1.00 2.41 O ATOM 0 H GLU A 47 12.695 -0.728 -4.818 1.00 0.41 H new ATOM 0 HA GLU A 47 14.182 -3.156 -5.116 1.00 0.51 H new ATOM 0 HB2 GLU A 47 14.673 -0.473 -3.774 1.00 0.57 H new ATOM 0 HB3 GLU A 47 15.852 -1.767 -3.706 1.00 0.57 H new ATOM 0 HG2 GLU A 47 16.260 -1.716 -6.034 1.00 1.00 H new ATOM 0 HG3 GLU A 47 14.699 -1.009 -6.400 1.00 1.00 H new ATOM 572 N ASP A 48 12.509 -3.242 -2.486 1.00 0.38 N ATOM 573 CA ASP A 48 12.038 -4.248 -1.520 1.00 0.37 C ATOM 574 C ASP A 48 10.733 -4.961 -1.961 1.00 0.32 C ATOM 575 O ASP A 48 10.226 -5.834 -1.251 1.00 0.37 O ATOM 576 CB ASP A 48 11.846 -3.545 -0.166 1.00 0.46 C ATOM 577 CG ASP A 48 12.880 -3.995 0.863 1.00 1.03 C ATOM 578 OD1 ASP A 48 12.771 -5.118 1.406 1.00 1.47 O ATOM 579 OD2 ASP A 48 13.839 -3.232 1.119 1.00 1.99 O ATOM 0 H ASP A 48 11.813 -2.518 -2.663 1.00 0.38 H new ATOM 0 HA ASP A 48 12.787 -5.037 -1.451 1.00 0.37 H new ATOM 0 HB2 ASP A 48 11.918 -2.466 -0.304 1.00 0.46 H new ATOM 0 HB3 ASP A 48 10.845 -3.752 0.211 1.00 0.46 H new ATOM 584 N GLN A 49 10.147 -4.544 -3.092 1.00 0.28 N ATOM 585 CA GLN A 49 8.737 -4.703 -3.469 1.00 0.33 C ATOM 586 C GLN A 49 7.750 -4.331 -2.336 1.00 0.37 C ATOM 587 O GLN A 49 6.679 -4.926 -2.197 1.00 0.55 O ATOM 588 CB GLN A 49 8.472 -6.083 -4.080 1.00 0.36 C ATOM 589 CG GLN A 49 9.345 -6.453 -5.292 1.00 0.39 C ATOM 590 CD GLN A 49 10.644 -7.157 -4.911 1.00 1.31 C ATOM 591 OE1 GLN A 49 10.655 -8.336 -4.564 1.00 1.56 O ATOM 592 NE2 GLN A 49 11.765 -6.471 -4.958 1.00 2.58 N ATOM 0 H GLN A 49 10.679 -4.056 -3.813 1.00 0.28 H new ATOM 0 HA GLN A 49 8.538 -3.971 -4.252 1.00 0.33 H new ATOM 0 HB2 GLN A 49 8.618 -6.837 -3.306 1.00 0.36 H new ATOM 0 HB3 GLN A 49 7.425 -6.133 -4.380 1.00 0.36 H new ATOM 0 HG2 GLN A 49 8.773 -7.098 -5.959 1.00 0.39 H new ATOM 0 HG3 GLN A 49 9.582 -5.547 -5.850 1.00 0.39 H new ATOM 0 HE21 GLN A 49 11.753 -5.493 -5.246 1.00 2.58 H new ATOM 0 HE22 GLN A 49 12.647 -6.917 -4.706 1.00 2.58 H new ATOM 601 N MET A 50 8.126 -3.352 -1.506 1.00 0.37 N ATOM 602 CA MET A 50 7.382 -2.924 -0.319 1.00 0.36 C ATOM 603 C MET A 50 6.520 -1.693 -0.599 1.00 0.26 C ATOM 604 O MET A 50 6.904 -0.782 -1.336 1.00 0.33 O ATOM 605 CB MET A 50 8.349 -2.690 0.854 1.00 0.52 C ATOM 606 CG MET A 50 7.751 -2.091 2.144 1.00 0.65 C ATOM 607 SD MET A 50 8.405 -2.766 3.694 1.00 1.05 S ATOM 608 CE MET A 50 7.695 -4.438 3.648 1.00 0.84 C ATOM 0 H MET A 50 8.984 -2.819 -1.648 1.00 0.37 H new ATOM 0 HA MET A 50 6.694 -3.723 -0.042 1.00 0.36 H new ATOM 0 HB2 MET A 50 8.813 -3.644 1.106 1.00 0.52 H new ATOM 0 HB3 MET A 50 9.145 -2.029 0.511 1.00 0.52 H new ATOM 0 HG2 MET A 50 7.921 -1.014 2.137 1.00 0.65 H new ATOM 0 HG3 MET A 50 6.672 -2.243 2.128 1.00 0.65 H new ATOM 0 HE1 MET A 50 6.950 -4.539 4.438 1.00 0.84 H new ATOM 0 HE2 MET A 50 7.223 -4.606 2.680 1.00 0.84 H new ATOM 0 HE3 MET A 50 8.485 -5.173 3.799 1.00 0.84 H new ATOM 618 N VAL A 51 5.363 -1.659 0.052 1.00 0.26 N ATOM 619 CA VAL A 51 4.355 -0.612 0.043 1.00 0.43 C ATOM 620 C VAL A 51 4.070 -0.166 1.475 1.00 0.40 C ATOM 621 O VAL A 51 3.511 -0.920 2.273 1.00 0.44 O ATOM 622 CB VAL A 51 3.076 -1.127 -0.652 1.00 0.64 C ATOM 623 CG1 VAL A 51 3.093 -0.846 -2.153 1.00 2.03 C ATOM 624 CG2 VAL A 51 2.853 -2.619 -0.476 1.00 1.97 C ATOM 0 H VAL A 51 5.084 -2.435 0.653 1.00 0.26 H new ATOM 0 HA VAL A 51 4.719 0.250 -0.516 1.00 0.43 H new ATOM 0 HB VAL A 51 2.266 -0.584 -0.165 1.00 0.64 H new ATOM 0 HG11 VAL A 51 2.176 -1.224 -2.604 1.00 2.03 H new ATOM 0 HG12 VAL A 51 3.164 0.229 -2.321 1.00 2.03 H new ATOM 0 HG13 VAL A 51 3.951 -1.342 -2.606 1.00 2.03 H new ATOM 0 HG21 VAL A 51 1.937 -2.913 -0.989 1.00 1.97 H new ATOM 0 HG22 VAL A 51 3.697 -3.165 -0.898 1.00 1.97 H new ATOM 0 HG23 VAL A 51 2.764 -2.851 0.585 1.00 1.97 H new ATOM 634 N LEU A 52 4.465 1.066 1.797 1.00 0.39 N ATOM 635 CA LEU A 52 4.146 1.733 3.052 1.00 0.35 C ATOM 636 C LEU A 52 2.932 2.627 2.888 1.00 0.26 C ATOM 637 O LEU A 52 2.814 3.384 1.921 1.00 0.30 O ATOM 638 CB LEU A 52 5.315 2.559 3.609 1.00 0.41 C ATOM 639 CG LEU A 52 6.596 1.787 3.990 1.00 0.54 C ATOM 640 CD1 LEU A 52 6.328 0.391 4.539 1.00 2.25 C ATOM 641 CD2 LEU A 52 7.608 1.682 2.849 1.00 2.68 C ATOM 0 H LEU A 52 5.031 1.640 1.172 1.00 0.39 H new ATOM 0 HA LEU A 52 3.934 0.941 3.770 1.00 0.35 H new ATOM 0 HB2 LEU A 52 5.581 3.313 2.868 1.00 0.41 H new ATOM 0 HB3 LEU A 52 4.964 3.091 4.493 1.00 0.41 H new ATOM 0 HG LEU A 52 7.028 2.395 4.785 1.00 0.54 H new ATOM 0 HD11 LEU A 52 7.274 -0.091 4.785 1.00 2.25 H new ATOM 0 HD12 LEU A 52 5.714 0.465 5.437 1.00 2.25 H new ATOM 0 HD13 LEU A 52 5.804 -0.201 3.789 1.00 2.25 H new ATOM 0 HD21 LEU A 52 8.483 1.127 3.188 1.00 2.68 H new ATOM 0 HD22 LEU A 52 7.153 1.162 2.006 1.00 2.68 H new ATOM 0 HD23 LEU A 52 7.911 2.682 2.538 1.00 2.68 H new ATOM 653 N VAL A 53 2.044 2.537 3.871 1.00 0.21 N ATOM 654 CA VAL A 53 0.768 3.244 3.874 1.00 0.20 C ATOM 655 C VAL A 53 0.571 3.861 5.252 1.00 0.19 C ATOM 656 O VAL A 53 0.347 3.151 6.230 1.00 0.22 O ATOM 657 CB VAL A 53 -0.394 2.317 3.451 1.00 0.23 C ATOM 658 CG1 VAL A 53 -1.635 3.163 3.143 1.00 0.20 C ATOM 659 CG2 VAL A 53 -0.086 1.475 2.204 1.00 0.37 C ATOM 0 H VAL A 53 2.192 1.963 4.701 1.00 0.21 H new ATOM 0 HA VAL A 53 0.776 4.044 3.133 1.00 0.20 H new ATOM 0 HB VAL A 53 -0.556 1.635 4.286 1.00 0.23 H new ATOM 0 HG11 VAL A 53 -2.455 2.510 2.844 1.00 0.20 H new ATOM 0 HG12 VAL A 53 -1.923 3.724 4.032 1.00 0.20 H new ATOM 0 HG13 VAL A 53 -1.410 3.857 2.333 1.00 0.20 H new ATOM 0 HG21 VAL A 53 -0.946 0.849 1.966 1.00 0.37 H new ATOM 0 HG22 VAL A 53 0.126 2.135 1.363 1.00 0.37 H new ATOM 0 HG23 VAL A 53 0.781 0.843 2.397 1.00 0.37 H new ATOM 669 N HIS A 54 0.694 5.182 5.332 1.00 0.21 N ATOM 670 CA HIS A 54 0.405 5.975 6.526 1.00 0.21 C ATOM 671 C HIS A 54 -1.107 6.273 6.567 1.00 0.22 C ATOM 672 O HIS A 54 -1.601 7.146 5.844 1.00 0.25 O ATOM 673 CB HIS A 54 1.275 7.246 6.518 1.00 0.25 C ATOM 674 CG HIS A 54 2.759 6.987 6.386 1.00 0.28 C ATOM 675 ND1 HIS A 54 3.693 7.057 7.393 1.00 0.43 N ATOM 676 CD2 HIS A 54 3.430 6.613 5.253 1.00 0.29 C ATOM 677 CE1 HIS A 54 4.894 6.747 6.881 1.00 0.50 C ATOM 678 NE2 HIS A 54 4.789 6.495 5.564 1.00 0.39 N ATOM 0 H HIS A 54 1.007 5.749 4.544 1.00 0.21 H new ATOM 0 HA HIS A 54 0.655 5.430 7.436 1.00 0.21 H new ATOM 0 HB2 HIS A 54 0.956 7.885 5.695 1.00 0.25 H new ATOM 0 HB3 HIS A 54 1.096 7.800 7.440 1.00 0.25 H new ATOM 0 HD2 HIS A 54 2.986 6.439 4.284 1.00 0.29 H new ATOM 0 HE1 HIS A 54 5.814 6.706 7.446 1.00 0.50 H new ATOM 0 HE2 HIS A 54 5.547 6.264 4.922 1.00 0.39 H new ATOM 686 N THR A 55 -1.871 5.505 7.354 1.00 0.23 N ATOM 687 CA THR A 55 -3.341 5.454 7.267 1.00 0.26 C ATOM 688 C THR A 55 -4.055 5.173 8.596 1.00 0.26 C ATOM 689 O THR A 55 -3.536 4.490 9.480 1.00 0.27 O ATOM 690 CB THR A 55 -3.762 4.423 6.204 1.00 0.32 C ATOM 691 OG1 THR A 55 -5.158 4.390 6.045 1.00 0.38 O ATOM 692 CG2 THR A 55 -3.336 2.985 6.505 1.00 0.36 C ATOM 0 H THR A 55 -1.486 4.896 8.076 1.00 0.23 H new ATOM 0 HA THR A 55 -3.658 6.456 6.980 1.00 0.26 H new ATOM 0 HB THR A 55 -3.249 4.764 5.305 1.00 0.32 H new ATOM 0 HG1 THR A 55 -5.504 5.306 6.004 1.00 0.38 H new ATOM 0 HG21 THR A 55 -3.675 2.330 5.703 1.00 0.36 H new ATOM 0 HG22 THR A 55 -2.250 2.935 6.579 1.00 0.36 H new ATOM 0 HG23 THR A 55 -3.779 2.664 7.448 1.00 0.36 H new ATOM 700 N THR A 56 -5.275 5.702 8.724 1.00 0.31 N ATOM 701 CA THR A 56 -6.226 5.446 9.818 1.00 0.38 C ATOM 702 C THR A 56 -7.100 4.206 9.579 1.00 0.39 C ATOM 703 O THR A 56 -7.820 3.792 10.489 1.00 0.54 O ATOM 704 CB THR A 56 -7.155 6.657 10.010 1.00 0.55 C ATOM 705 OG1 THR A 56 -7.882 6.856 8.823 1.00 0.70 O ATOM 706 CG2 THR A 56 -6.436 7.973 10.276 1.00 0.60 C ATOM 0 H THR A 56 -5.648 6.354 8.034 1.00 0.31 H new ATOM 0 HA THR A 56 -5.621 5.269 10.707 1.00 0.38 H new ATOM 0 HB THR A 56 -7.767 6.418 10.880 1.00 0.55 H new ATOM 0 HG1 THR A 56 -8.480 7.625 8.931 1.00 0.70 H new ATOM 0 HG21 THR A 56 -7.169 8.770 10.398 1.00 0.60 H new ATOM 0 HG22 THR A 56 -5.841 7.885 11.185 1.00 0.60 H new ATOM 0 HG23 THR A 56 -5.783 8.207 9.435 1.00 0.60 H new ATOM 714 N LEU A 57 -7.051 3.613 8.378 1.00 0.33 N ATOM 715 CA LEU A 57 -7.827 2.438 7.957 1.00 0.35 C ATOM 716 C LEU A 57 -7.294 1.138 8.593 1.00 0.38 C ATOM 717 O LEU A 57 -6.113 1.086 8.962 1.00 0.45 O ATOM 718 CB LEU A 57 -7.790 2.345 6.414 1.00 0.33 C ATOM 719 CG LEU A 57 -8.381 3.561 5.669 1.00 0.35 C ATOM 720 CD1 LEU A 57 -8.258 3.354 4.159 1.00 0.41 C ATOM 721 CD2 LEU A 57 -9.853 3.796 6.001 1.00 0.47 C ATOM 0 H LEU A 57 -6.439 3.956 7.638 1.00 0.33 H new ATOM 0 HA LEU A 57 -8.855 2.557 8.300 1.00 0.35 H new ATOM 0 HB2 LEU A 57 -6.755 2.213 6.098 1.00 0.33 H new ATOM 0 HB3 LEU A 57 -8.333 1.451 6.106 1.00 0.33 H new ATOM 0 HG LEU A 57 -7.814 4.433 5.995 1.00 0.35 H new ATOM 0 HD11 LEU A 57 -8.677 4.215 3.638 1.00 0.41 H new ATOM 0 HD12 LEU A 57 -7.207 3.244 3.891 1.00 0.41 H new ATOM 0 HD13 LEU A 57 -8.802 2.455 3.869 1.00 0.41 H new ATOM 0 HD21 LEU A 57 -10.216 4.663 5.449 1.00 0.47 H new ATOM 0 HD22 LEU A 57 -10.434 2.918 5.720 1.00 0.47 H new ATOM 0 HD23 LEU A 57 -9.961 3.975 7.071 1.00 0.47 H new ATOM 733 N PRO A 58 -8.106 0.069 8.699 1.00 0.38 N ATOM 734 CA PRO A 58 -7.664 -1.228 9.209 1.00 0.42 C ATOM 735 C PRO A 58 -6.894 -1.973 8.113 1.00 0.35 C ATOM 736 O PRO A 58 -7.284 -1.906 6.948 1.00 0.33 O ATOM 737 CB PRO A 58 -8.945 -1.985 9.598 1.00 0.50 C ATOM 738 CG PRO A 58 -10.094 -0.993 9.368 1.00 0.48 C ATOM 739 CD PRO A 58 -9.504 -0.068 8.314 1.00 0.39 C ATOM 0 HA PRO A 58 -6.996 -1.132 10.065 1.00 0.42 H new ATOM 0 HB2 PRO A 58 -9.072 -2.880 8.989 1.00 0.50 H new ATOM 0 HB3 PRO A 58 -8.909 -2.309 10.638 1.00 0.50 H new ATOM 0 HG2 PRO A 58 -10.998 -1.490 9.016 1.00 0.48 H new ATOM 0 HG3 PRO A 58 -10.359 -0.457 10.279 1.00 0.48 H new ATOM 0 HD2 PRO A 58 -9.602 -0.490 7.314 1.00 0.39 H new ATOM 0 HD3 PRO A 58 -10.010 0.897 8.303 1.00 0.39 H new ATOM 747 N SER A 59 -5.847 -2.737 8.440 1.00 0.35 N ATOM 748 CA SER A 59 -5.018 -3.420 7.423 1.00 0.35 C ATOM 749 C SER A 59 -5.826 -4.361 6.515 1.00 0.34 C ATOM 750 O SER A 59 -5.513 -4.487 5.334 1.00 0.40 O ATOM 751 CB SER A 59 -3.817 -4.169 8.027 1.00 0.40 C ATOM 752 OG SER A 59 -3.668 -3.974 9.427 1.00 0.73 O ATOM 0 H SER A 59 -5.547 -2.903 9.401 1.00 0.35 H new ATOM 0 HA SER A 59 -4.630 -2.612 6.802 1.00 0.35 H new ATOM 0 HB2 SER A 59 -3.927 -5.235 7.827 1.00 0.40 H new ATOM 0 HB3 SER A 59 -2.906 -3.843 7.525 1.00 0.40 H new ATOM 0 HG SER A 59 -3.259 -4.770 9.826 1.00 0.73 H new ATOM 758 N GLN A 60 -6.915 -4.933 7.032 1.00 0.34 N ATOM 759 CA GLN A 60 -7.911 -5.724 6.301 1.00 0.40 C ATOM 760 C GLN A 60 -8.536 -4.962 5.109 1.00 0.39 C ATOM 761 O GLN A 60 -8.813 -5.558 4.066 1.00 0.48 O ATOM 762 CB GLN A 60 -9.030 -6.131 7.280 1.00 0.53 C ATOM 763 CG GLN A 60 -8.607 -6.970 8.502 1.00 0.72 C ATOM 764 CD GLN A 60 -8.153 -6.183 9.719 1.00 1.53 C ATOM 765 OE1 GLN A 60 -7.100 -5.554 9.756 1.00 2.97 O ATOM 766 NE2 GLN A 60 -8.888 -6.197 10.794 1.00 1.77 N ATOM 0 H GLN A 60 -7.139 -4.854 8.024 1.00 0.34 H new ATOM 0 HA GLN A 60 -7.400 -6.594 5.890 1.00 0.40 H new ATOM 0 HB2 GLN A 60 -9.514 -5.223 7.641 1.00 0.53 H new ATOM 0 HB3 GLN A 60 -9.781 -6.693 6.724 1.00 0.53 H new ATOM 0 HG2 GLN A 60 -9.446 -7.601 8.794 1.00 0.72 H new ATOM 0 HG3 GLN A 60 -7.798 -7.635 8.200 1.00 0.72 H new ATOM 0 HE21 GLN A 60 -9.770 -6.709 10.802 1.00 1.77 H new ATOM 0 HE22 GLN A 60 -8.581 -5.696 11.628 1.00 1.77 H new ATOM 775 N GLU A 61 -8.730 -3.646 5.248 1.00 0.34 N ATOM 776 CA GLU A 61 -9.302 -2.740 4.243 1.00 0.38 C ATOM 777 C GLU A 61 -8.239 -2.292 3.229 1.00 0.38 C ATOM 778 O GLU A 61 -8.480 -2.305 2.018 1.00 0.46 O ATOM 779 CB GLU A 61 -9.933 -1.546 4.993 1.00 0.48 C ATOM 780 CG GLU A 61 -10.878 -0.701 4.138 1.00 0.76 C ATOM 781 CD GLU A 61 -11.731 0.333 4.899 1.00 1.39 C ATOM 782 OE1 GLU A 61 -12.218 0.068 6.028 1.00 2.19 O ATOM 783 OE2 GLU A 61 -12.055 1.394 4.305 1.00 2.38 O ATOM 0 H GLU A 61 -8.480 -3.158 6.108 1.00 0.34 H new ATOM 0 HA GLU A 61 -10.070 -3.251 3.662 1.00 0.38 H new ATOM 0 HB2 GLU A 61 -10.480 -1.922 5.857 1.00 0.48 H new ATOM 0 HB3 GLU A 61 -9.136 -0.908 5.374 1.00 0.48 H new ATOM 0 HG2 GLU A 61 -10.286 -0.175 3.389 1.00 0.76 H new ATOM 0 HG3 GLU A 61 -11.549 -1.372 3.601 1.00 0.76 H new ATOM 790 N VAL A 62 -7.029 -1.972 3.708 1.00 0.32 N ATOM 791 CA VAL A 62 -5.885 -1.573 2.888 1.00 0.29 C ATOM 792 C VAL A 62 -5.397 -2.734 2.028 1.00 0.28 C ATOM 793 O VAL A 62 -5.050 -2.515 0.874 1.00 0.28 O ATOM 794 CB VAL A 62 -4.703 -1.071 3.746 1.00 0.24 C ATOM 795 CG1 VAL A 62 -3.763 -0.217 2.897 1.00 0.28 C ATOM 796 CG2 VAL A 62 -5.091 -0.212 4.949 1.00 0.32 C ATOM 0 H VAL A 62 -6.817 -1.985 4.706 1.00 0.32 H new ATOM 0 HA VAL A 62 -6.234 -0.758 2.253 1.00 0.29 H new ATOM 0 HB VAL A 62 -4.239 -1.985 4.118 1.00 0.24 H new ATOM 0 HG11 VAL A 62 -2.933 0.132 3.512 1.00 0.28 H new ATOM 0 HG12 VAL A 62 -3.377 -0.813 2.070 1.00 0.28 H new ATOM 0 HG13 VAL A 62 -4.308 0.641 2.502 1.00 0.28 H new ATOM 0 HG21 VAL A 62 -4.192 0.090 5.486 1.00 0.32 H new ATOM 0 HG22 VAL A 62 -5.624 0.675 4.606 1.00 0.32 H new ATOM 0 HG23 VAL A 62 -5.735 -0.787 5.614 1.00 0.32 H new ATOM 806 N GLN A 63 -5.418 -3.973 2.532 1.00 0.28 N ATOM 807 CA GLN A 63 -5.051 -5.151 1.743 1.00 0.29 C ATOM 808 C GLN A 63 -5.909 -5.266 0.481 1.00 0.31 C ATOM 809 O GLN A 63 -5.363 -5.541 -0.583 1.00 0.33 O ATOM 810 CB GLN A 63 -5.153 -6.431 2.591 1.00 0.30 C ATOM 811 CG GLN A 63 -4.755 -7.652 1.740 1.00 0.41 C ATOM 812 CD GLN A 63 -4.740 -8.977 2.494 1.00 0.64 C ATOM 813 OE1 GLN A 63 -5.575 -9.279 3.342 1.00 1.01 O ATOM 814 NE2 GLN A 63 -3.795 -9.828 2.172 1.00 1.94 N ATOM 0 H GLN A 63 -5.688 -4.185 3.492 1.00 0.28 H new ATOM 0 HA GLN A 63 -4.014 -5.030 1.430 1.00 0.29 H new ATOM 0 HB2 GLN A 63 -4.502 -6.355 3.462 1.00 0.30 H new ATOM 0 HB3 GLN A 63 -6.170 -6.552 2.964 1.00 0.30 H new ATOM 0 HG2 GLN A 63 -5.447 -7.734 0.902 1.00 0.41 H new ATOM 0 HG3 GLN A 63 -3.764 -7.478 1.320 1.00 0.41 H new ATOM 0 HE21 GLN A 63 -3.101 -9.577 1.468 1.00 1.94 H new ATOM 0 HE22 GLN A 63 -3.754 -10.740 2.626 1.00 1.94 H new ATOM 823 N ALA A 64 -7.218 -5.014 0.562 1.00 0.34 N ATOM 824 CA ALA A 64 -8.097 -5.103 -0.597 1.00 0.40 C ATOM 825 C ALA A 64 -7.954 -3.864 -1.508 1.00 0.41 C ATOM 826 O ALA A 64 -8.122 -3.973 -2.724 1.00 0.49 O ATOM 827 CB ALA A 64 -9.533 -5.276 -0.087 1.00 0.47 C ATOM 0 H ALA A 64 -7.690 -4.746 1.425 1.00 0.34 H new ATOM 0 HA ALA A 64 -7.822 -5.960 -1.212 1.00 0.40 H new ATOM 0 HB1 ALA A 64 -10.214 -5.346 -0.935 1.00 0.47 H new ATOM 0 HB2 ALA A 64 -9.600 -6.187 0.508 1.00 0.47 H new ATOM 0 HB3 ALA A 64 -9.806 -4.419 0.529 1.00 0.47 H new ATOM 833 N LEU A 65 -7.578 -2.707 -0.940 1.00 0.36 N ATOM 834 CA LEU A 65 -7.235 -1.492 -1.687 1.00 0.40 C ATOM 835 C LEU A 65 -5.942 -1.649 -2.514 1.00 0.41 C ATOM 836 O LEU A 65 -5.835 -1.170 -3.646 1.00 0.56 O ATOM 837 CB LEU A 65 -7.112 -0.310 -0.719 1.00 0.41 C ATOM 838 CG LEU A 65 -8.460 0.253 -0.230 1.00 0.50 C ATOM 839 CD1 LEU A 65 -8.205 1.244 0.901 1.00 0.55 C ATOM 840 CD2 LEU A 65 -9.219 0.991 -1.336 1.00 0.59 C ATOM 0 H LEU A 65 -7.503 -2.590 0.071 1.00 0.36 H new ATOM 0 HA LEU A 65 -8.040 -1.305 -2.398 1.00 0.40 H new ATOM 0 HB2 LEU A 65 -6.527 -0.623 0.146 1.00 0.41 H new ATOM 0 HB3 LEU A 65 -6.554 0.489 -1.208 1.00 0.41 H new ATOM 0 HG LEU A 65 -9.063 -0.593 0.099 1.00 0.50 H new ATOM 0 HD11 LEU A 65 -9.155 1.647 1.253 1.00 0.55 H new ATOM 0 HD12 LEU A 65 -7.700 0.736 1.723 1.00 0.55 H new ATOM 0 HD13 LEU A 65 -7.578 2.058 0.537 1.00 0.55 H new ATOM 0 HD21 LEU A 65 -10.162 1.369 -0.941 1.00 0.59 H new ATOM 0 HD22 LEU A 65 -8.617 1.825 -1.696 1.00 0.59 H new ATOM 0 HD23 LEU A 65 -9.419 0.306 -2.160 1.00 0.59 H new ATOM 852 N LEU A 66 -4.966 -2.348 -1.936 1.00 0.31 N ATOM 853 CA LEU A 66 -3.717 -2.781 -2.561 1.00 0.34 C ATOM 854 C LEU A 66 -3.960 -3.897 -3.588 1.00 0.37 C ATOM 855 O LEU A 66 -3.455 -3.815 -4.701 1.00 0.44 O ATOM 856 CB LEU A 66 -2.750 -3.244 -1.454 1.00 0.33 C ATOM 857 CG LEU A 66 -2.181 -2.102 -0.590 1.00 0.33 C ATOM 858 CD1 LEU A 66 -1.709 -2.636 0.765 1.00 0.32 C ATOM 859 CD2 LEU A 66 -0.993 -1.439 -1.293 1.00 0.36 C ATOM 0 H LEU A 66 -5.030 -2.644 -0.962 1.00 0.31 H new ATOM 0 HA LEU A 66 -3.277 -1.946 -3.106 1.00 0.34 H new ATOM 0 HB2 LEU A 66 -3.270 -3.950 -0.806 1.00 0.33 H new ATOM 0 HB3 LEU A 66 -1.922 -3.783 -1.914 1.00 0.33 H new ATOM 0 HG LEU A 66 -2.976 -1.371 -0.440 1.00 0.33 H new ATOM 0 HD11 LEU A 66 -1.310 -1.815 1.361 1.00 0.32 H new ATOM 0 HD12 LEU A 66 -2.549 -3.091 1.290 1.00 0.32 H new ATOM 0 HD13 LEU A 66 -0.931 -3.383 0.610 1.00 0.32 H new ATOM 0 HD21 LEU A 66 -0.603 -0.635 -0.669 1.00 0.36 H new ATOM 0 HD22 LEU A 66 -0.211 -2.179 -1.461 1.00 0.36 H new ATOM 0 HD23 LEU A 66 -1.318 -1.031 -2.250 1.00 0.36 H new ATOM 871 N GLU A 67 -4.767 -4.910 -3.267 1.00 0.35 N ATOM 872 CA GLU A 67 -5.117 -6.008 -4.183 1.00 0.45 C ATOM 873 C GLU A 67 -5.891 -5.530 -5.425 1.00 0.46 C ATOM 874 O GLU A 67 -5.660 -6.049 -6.519 1.00 0.60 O ATOM 875 CB GLU A 67 -5.891 -7.100 -3.412 1.00 0.58 C ATOM 876 CG GLU A 67 -4.988 -8.195 -2.803 1.00 0.52 C ATOM 877 CD GLU A 67 -5.499 -9.616 -3.091 1.00 1.09 C ATOM 878 OE1 GLU A 67 -6.621 -9.973 -2.654 1.00 1.76 O ATOM 879 OE2 GLU A 67 -4.784 -10.417 -3.743 1.00 2.22 O ATOM 0 H GLU A 67 -5.205 -4.996 -2.350 1.00 0.35 H new ATOM 0 HA GLU A 67 -4.188 -6.432 -4.565 1.00 0.45 H new ATOM 0 HB2 GLU A 67 -6.464 -6.630 -2.613 1.00 0.58 H new ATOM 0 HB3 GLU A 67 -6.608 -7.568 -4.086 1.00 0.58 H new ATOM 0 HG2 GLU A 67 -3.978 -8.089 -3.200 1.00 0.52 H new ATOM 0 HG3 GLU A 67 -4.924 -8.048 -1.725 1.00 0.52 H new ATOM 886 N GLY A 68 -6.714 -4.478 -5.300 1.00 0.38 N ATOM 887 CA GLY A 68 -7.444 -3.831 -6.404 1.00 0.44 C ATOM 888 C GLY A 68 -6.582 -3.320 -7.563 1.00 0.43 C ATOM 889 O GLY A 68 -7.075 -3.135 -8.675 1.00 0.68 O ATOM 0 H GLY A 68 -6.897 -4.038 -4.398 1.00 0.38 H new ATOM 0 HA2 GLY A 68 -8.169 -4.541 -6.801 1.00 0.44 H new ATOM 0 HA3 GLY A 68 -8.009 -2.992 -5.999 1.00 0.44 H new ATOM 893 N THR A 69 -5.270 -3.199 -7.346 1.00 0.32 N ATOM 894 CA THR A 69 -4.258 -2.858 -8.363 1.00 0.37 C ATOM 895 C THR A 69 -4.074 -3.975 -9.405 1.00 0.42 C ATOM 896 O THR A 69 -3.383 -3.775 -10.406 1.00 0.60 O ATOM 897 CB THR A 69 -2.925 -2.498 -7.672 1.00 0.48 C ATOM 898 OG1 THR A 69 -2.360 -3.620 -7.043 1.00 0.77 O ATOM 899 CG2 THR A 69 -3.131 -1.361 -6.671 1.00 0.72 C ATOM 0 H THR A 69 -4.862 -3.340 -6.422 1.00 0.32 H new ATOM 0 HA THR A 69 -4.614 -1.988 -8.915 1.00 0.37 H new ATOM 0 HB THR A 69 -2.227 -2.161 -8.439 1.00 0.48 H new ATOM 0 HG1 THR A 69 -2.922 -3.889 -6.287 1.00 0.77 H new ATOM 0 HG21 THR A 69 -2.181 -1.120 -6.193 1.00 0.72 H new ATOM 0 HG22 THR A 69 -3.508 -0.481 -7.192 1.00 0.72 H new ATOM 0 HG23 THR A 69 -3.851 -1.670 -5.913 1.00 0.72 H new ATOM 907 N GLY A 70 -4.716 -5.136 -9.205 1.00 0.39 N ATOM 908 CA GLY A 70 -4.682 -6.312 -10.083 1.00 0.48 C ATOM 909 C GLY A 70 -3.551 -7.286 -9.744 1.00 0.45 C ATOM 910 O GLY A 70 -3.127 -8.079 -10.589 1.00 0.60 O ATOM 0 H GLY A 70 -5.302 -5.286 -8.384 1.00 0.39 H new ATOM 0 HA2 GLY A 70 -5.636 -6.835 -10.015 1.00 0.48 H new ATOM 0 HA3 GLY A 70 -4.572 -5.983 -11.116 1.00 0.48 H new ATOM 914 N ARG A 71 -3.003 -7.168 -8.531 1.00 0.35 N ATOM 915 CA ARG A 71 -1.782 -7.804 -8.041 1.00 0.38 C ATOM 916 C ARG A 71 -2.030 -8.375 -6.647 1.00 0.37 C ATOM 917 O ARG A 71 -2.995 -8.005 -5.980 1.00 0.52 O ATOM 918 CB ARG A 71 -0.663 -6.744 -8.000 1.00 0.62 C ATOM 919 CG ARG A 71 -0.403 -6.103 -9.373 1.00 1.47 C ATOM 920 CD ARG A 71 0.612 -4.962 -9.275 1.00 1.18 C ATOM 921 NE ARG A 71 1.021 -4.502 -10.614 1.00 1.27 N ATOM 922 CZ ARG A 71 1.759 -5.154 -11.493 1.00 1.79 C ATOM 923 NH1 ARG A 71 2.416 -6.241 -11.224 1.00 3.06 N ATOM 924 NH2 ARG A 71 1.843 -4.696 -12.699 1.00 1.83 N ATOM 0 H ARG A 71 -3.434 -6.582 -7.816 1.00 0.35 H new ATOM 0 HA ARG A 71 -1.485 -8.620 -8.700 1.00 0.38 H new ATOM 0 HB2 ARG A 71 -0.931 -5.966 -7.285 1.00 0.62 H new ATOM 0 HB3 ARG A 71 0.256 -7.206 -7.639 1.00 0.62 H new ATOM 0 HG2 ARG A 71 -0.035 -6.860 -10.066 1.00 1.47 H new ATOM 0 HG3 ARG A 71 -1.340 -5.724 -9.782 1.00 1.47 H new ATOM 0 HD2 ARG A 71 0.178 -4.131 -8.718 1.00 1.18 H new ATOM 0 HD3 ARG A 71 1.487 -5.296 -8.718 1.00 1.18 H new ATOM 0 HE ARG A 71 0.697 -3.576 -10.893 1.00 1.27 H new ATOM 0 HH11 ARG A 71 2.380 -6.640 -10.286 1.00 3.06 H new ATOM 0 HH12 ARG A 71 2.968 -6.696 -11.951 1.00 3.06 H new ATOM 0 HH21 ARG A 71 1.344 -3.845 -12.957 1.00 1.83 H new ATOM 0 HH22 ARG A 71 2.408 -5.186 -13.392 1.00 1.83 H new ATOM 938 N GLN A 72 -1.134 -9.240 -6.189 1.00 0.32 N ATOM 939 CA GLN A 72 -1.104 -9.679 -4.795 1.00 0.36 C ATOM 940 C GLN A 72 -0.492 -8.619 -3.873 1.00 0.33 C ATOM 941 O GLN A 72 0.337 -7.797 -4.274 1.00 0.39 O ATOM 942 CB GLN A 72 -0.395 -11.036 -4.659 1.00 0.44 C ATOM 943 CG GLN A 72 -1.365 -12.186 -4.342 1.00 1.39 C ATOM 944 CD GLN A 72 -1.655 -12.284 -2.851 1.00 1.97 C ATOM 945 OE1 GLN A 72 -0.946 -12.964 -2.119 1.00 2.92 O ATOM 946 NE2 GLN A 72 -2.655 -11.598 -2.343 1.00 2.75 N ATOM 0 H GLN A 72 -0.408 -9.658 -6.770 1.00 0.32 H new ATOM 0 HA GLN A 72 -2.136 -9.813 -4.471 1.00 0.36 H new ATOM 0 HB2 GLN A 72 0.135 -11.258 -5.585 1.00 0.44 H new ATOM 0 HB3 GLN A 72 0.355 -10.972 -3.871 1.00 0.44 H new ATOM 0 HG2 GLN A 72 -2.298 -12.035 -4.885 1.00 1.39 H new ATOM 0 HG3 GLN A 72 -0.941 -13.127 -4.693 1.00 1.39 H new ATOM 0 HE21 GLN A 72 -3.246 -11.031 -2.951 1.00 2.75 H new ATOM 0 HE22 GLN A 72 -2.840 -11.632 -1.340 1.00 2.75 H new ATOM 955 N ALA A 73 -0.929 -8.701 -2.624 1.00 0.34 N ATOM 956 CA ALA A 73 -0.622 -7.812 -1.505 1.00 0.34 C ATOM 957 C ALA A 73 -0.664 -8.635 -0.202 1.00 0.38 C ATOM 958 O ALA A 73 -1.725 -9.087 0.236 1.00 0.60 O ATOM 959 CB ALA A 73 -1.656 -6.677 -1.482 1.00 0.41 C ATOM 0 H ALA A 73 -1.559 -9.452 -2.341 1.00 0.34 H new ATOM 0 HA ALA A 73 0.370 -7.373 -1.608 1.00 0.34 H new ATOM 0 HB1 ALA A 73 -1.440 -6.005 -0.652 1.00 0.41 H new ATOM 0 HB2 ALA A 73 -1.609 -6.123 -2.419 1.00 0.41 H new ATOM 0 HB3 ALA A 73 -2.654 -7.097 -1.359 1.00 0.41 H new ATOM 965 N VAL A 74 0.502 -8.824 0.406 1.00 0.38 N ATOM 966 CA VAL A 74 0.736 -9.603 1.626 1.00 0.48 C ATOM 967 C VAL A 74 1.282 -8.670 2.688 1.00 0.41 C ATOM 968 O VAL A 74 2.269 -7.973 2.471 1.00 0.39 O ATOM 969 CB VAL A 74 1.743 -10.735 1.360 1.00 0.61 C ATOM 970 CG1 VAL A 74 2.226 -11.428 2.643 1.00 0.73 C ATOM 971 CG2 VAL A 74 1.127 -11.788 0.435 1.00 0.73 C ATOM 0 H VAL A 74 1.363 -8.415 0.042 1.00 0.38 H new ATOM 0 HA VAL A 74 -0.200 -10.053 1.959 1.00 0.48 H new ATOM 0 HB VAL A 74 2.607 -10.266 0.890 1.00 0.61 H new ATOM 0 HG11 VAL A 74 2.934 -12.216 2.386 1.00 0.73 H new ATOM 0 HG12 VAL A 74 2.714 -10.698 3.289 1.00 0.73 H new ATOM 0 HG13 VAL A 74 1.373 -11.862 3.165 1.00 0.73 H new ATOM 0 HG21 VAL A 74 1.851 -12.583 0.256 1.00 0.73 H new ATOM 0 HG22 VAL A 74 0.236 -12.207 0.903 1.00 0.73 H new ATOM 0 HG23 VAL A 74 0.854 -11.325 -0.513 1.00 0.73 H new ATOM 981 N LEU A 75 0.665 -8.645 3.857 1.00 0.46 N ATOM 982 CA LEU A 75 1.156 -7.863 4.978 1.00 0.45 C ATOM 983 C LEU A 75 2.310 -8.544 5.718 1.00 0.49 C ATOM 984 O LEU A 75 2.290 -9.751 5.980 1.00 0.61 O ATOM 985 CB LEU A 75 -0.024 -7.518 5.862 1.00 0.53 C ATOM 986 CG LEU A 75 0.317 -6.524 6.984 1.00 0.58 C ATOM 987 CD1 LEU A 75 1.221 -5.354 6.593 1.00 1.09 C ATOM 988 CD2 LEU A 75 -0.957 -5.801 7.271 1.00 0.98 C ATOM 0 H LEU A 75 -0.189 -9.166 4.055 1.00 0.46 H new ATOM 0 HA LEU A 75 1.602 -6.937 4.616 1.00 0.45 H new ATOM 0 HB2 LEU A 75 -0.819 -7.098 5.245 1.00 0.53 H new ATOM 0 HB3 LEU A 75 -0.415 -8.434 6.306 1.00 0.53 H new ATOM 0 HG LEU A 75 0.793 -7.117 7.765 1.00 0.58 H new ATOM 0 HD11 LEU A 75 1.393 -4.720 7.463 1.00 1.09 H new ATOM 0 HD12 LEU A 75 2.174 -5.737 6.229 1.00 1.09 H new ATOM 0 HD13 LEU A 75 0.741 -4.770 5.808 1.00 1.09 H new ATOM 0 HD21 LEU A 75 -0.791 -5.072 8.064 1.00 0.98 H new ATOM 0 HD22 LEU A 75 -1.294 -5.287 6.371 1.00 0.98 H new ATOM 0 HD23 LEU A 75 -1.717 -6.515 7.588 1.00 0.98 H new ATOM 1000 N LYS A 76 3.301 -7.728 6.084 1.00 0.42 N ATOM 1001 CA LYS A 76 4.487 -8.125 6.856 1.00 0.42 C ATOM 1002 C LYS A 76 4.408 -7.700 8.332 1.00 0.50 C ATOM 1003 O LYS A 76 4.785 -8.471 9.216 1.00 0.62 O ATOM 1004 CB LYS A 76 5.764 -7.616 6.162 1.00 0.37 C ATOM 1005 CG LYS A 76 5.917 -7.957 4.662 1.00 0.38 C ATOM 1006 CD LYS A 76 5.979 -9.455 4.303 1.00 0.58 C ATOM 1007 CE LYS A 76 7.198 -10.223 4.841 1.00 1.14 C ATOM 1008 NZ LYS A 76 8.483 -9.793 4.236 1.00 2.39 N ATOM 0 H LYS A 76 3.302 -6.737 5.844 1.00 0.42 H new ATOM 0 HA LYS A 76 4.523 -9.214 6.876 1.00 0.42 H new ATOM 0 HB2 LYS A 76 5.803 -6.532 6.271 1.00 0.37 H new ATOM 0 HB3 LYS A 76 6.625 -8.021 6.693 1.00 0.37 H new ATOM 0 HG2 LYS A 76 5.081 -7.511 4.123 1.00 0.38 H new ATOM 0 HG3 LYS A 76 6.825 -7.479 4.294 1.00 0.38 H new ATOM 0 HD2 LYS A 76 5.076 -9.937 4.678 1.00 0.58 H new ATOM 0 HD3 LYS A 76 5.964 -9.550 3.217 1.00 0.58 H new ATOM 0 HE2 LYS A 76 7.252 -10.091 5.922 1.00 1.14 H new ATOM 0 HE3 LYS A 76 7.057 -11.288 4.656 1.00 1.14 H new ATOM 0 HZ1 LYS A 76 9.262 -10.350 4.642 1.00 2.39 H new ATOM 0 HZ2 LYS A 76 8.450 -9.943 3.207 1.00 2.39 H new ATOM 0 HZ3 LYS A 76 8.639 -8.784 4.434 1.00 2.39 H new ATOM 1022 N GLY A 77 3.849 -6.520 8.603 1.00 0.46 N ATOM 1023 CA GLY A 77 3.418 -6.039 9.914 1.00 0.48 C ATOM 1024 C GLY A 77 3.047 -4.552 9.904 1.00 0.55 C ATOM 1025 O GLY A 77 2.987 -3.907 8.856 1.00 0.53 O ATOM 0 H GLY A 77 3.675 -5.834 7.868 1.00 0.46 H new ATOM 0 HA2 GLY A 77 2.559 -6.622 10.246 1.00 0.48 H new ATOM 0 HA3 GLY A 77 4.215 -6.206 10.638 1.00 0.48 H new ATOM 1029 N MET A 78 2.807 -3.994 11.085 1.00 0.79 N ATOM 1030 CA MET A 78 2.676 -2.564 11.324 1.00 0.77 C ATOM 1031 C MET A 78 4.065 -1.938 11.517 1.00 0.86 C ATOM 1032 O MET A 78 5.043 -2.624 11.830 1.00 1.22 O ATOM 1033 CB MET A 78 1.745 -2.313 12.519 1.00 0.78 C ATOM 1034 CG MET A 78 0.337 -2.864 12.254 1.00 0.92 C ATOM 1035 SD MET A 78 0.109 -4.592 12.763 1.00 1.32 S ATOM 1036 CE MET A 78 -1.375 -4.992 11.809 1.00 1.28 C ATOM 0 H MET A 78 2.694 -4.548 11.934 1.00 0.79 H new ATOM 0 HA MET A 78 2.222 -2.083 10.458 1.00 0.77 H new ATOM 0 HB2 MET A 78 2.160 -2.783 13.411 1.00 0.78 H new ATOM 0 HB3 MET A 78 1.687 -1.243 12.720 1.00 0.78 H new ATOM 0 HG2 MET A 78 -0.389 -2.243 12.779 1.00 0.92 H new ATOM 0 HG3 MET A 78 0.119 -2.778 11.189 1.00 0.92 H new ATOM 0 HE1 MET A 78 -1.704 -6.002 12.054 1.00 1.28 H new ATOM 0 HE2 MET A 78 -2.166 -4.283 12.053 1.00 1.28 H new ATOM 0 HE3 MET A 78 -1.150 -4.932 10.744 1.00 1.28 H new