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 180:sc= 0.0711 USER MOD Set 1.2: A 78 MET CE :methyl -158:sc= 0 (180deg=-0.93) 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= -0.145 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 13:sc= 0.124 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.015 X(o=-0.015,f=-0.015) USER MOD Single : A 20 MET CE :methyl -140:sc= -1.93 (180deg=-7.33!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.64) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= 0.755 (180deg=0.726) USER MOD Single : A 32 SER OG : rot -146:sc= 0.904 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 40 GLN : amide:sc= -0.0783 K(o=-0.078,f=-0.68) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 49 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.47) USER MOD Single : A 50 MET CE :methyl 143:sc= -0.326 (180deg=-1.01) USER MOD Single : A 54 HIS : no HD1:sc= -0.296 X(o=-0.3,f=0) USER MOD Single : A 55 THR OG1 : rot 46:sc= 1.49 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc=-0.00179 K(o=-0.0018,f=-1.5) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 69 THR OG1 : rot 70:sc= 1.22 USER MOD Single : A 72 GLN : amide:sc= 1.5 K(o=1.5,f=-0.24) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 8 N THR A 10 -7.001 5.547 14.117 1.00 0.78 N ATOM 9 CA THR A 10 -5.874 6.446 14.390 1.00 0.68 C ATOM 10 C THR A 10 -4.716 6.221 13.419 1.00 0.59 C ATOM 11 O THR A 10 -4.501 5.113 12.928 1.00 0.61 O ATOM 12 CB THR A 10 -5.432 6.357 15.859 1.00 0.76 C ATOM 13 OG1 THR A 10 -4.418 7.291 16.138 1.00 0.85 O ATOM 14 CG2 THR A 10 -4.911 4.978 16.259 1.00 0.77 C ATOM 0 HA THR A 10 -6.220 7.466 14.222 1.00 0.68 H new ATOM 0 HB THR A 10 -6.333 6.567 16.436 1.00 0.76 H new ATOM 0 HG1 THR A 10 -4.155 7.216 17.079 1.00 0.85 H new ATOM 0 HG21 THR A 10 -4.618 4.990 17.309 1.00 0.77 H new ATOM 0 HG22 THR A 10 -5.695 4.236 16.110 1.00 0.77 H new ATOM 0 HG23 THR A 10 -4.048 4.723 15.644 1.00 0.77 H new ATOM 22 N LEU A 11 -4.009 7.302 13.094 1.00 0.59 N ATOM 23 CA LEU A 11 -2.994 7.352 12.037 1.00 0.62 C ATOM 24 C LEU A 11 -1.714 6.611 12.460 1.00 0.78 C ATOM 25 O LEU A 11 -1.022 6.948 13.426 1.00 1.06 O ATOM 26 CB LEU A 11 -2.700 8.812 11.645 1.00 0.68 C ATOM 27 CG LEU A 11 -2.275 9.157 10.199 1.00 0.91 C ATOM 28 CD1 LEU A 11 -0.952 8.534 9.771 1.00 1.91 C ATOM 29 CD2 LEU A 11 -3.311 8.783 9.143 1.00 1.23 C ATOM 0 H LEU A 11 -4.128 8.195 13.572 1.00 0.59 H new ATOM 0 HA LEU A 11 -3.386 6.840 11.158 1.00 0.62 H new ATOM 0 HB2 LEU A 11 -3.595 9.393 11.866 1.00 0.68 H new ATOM 0 HB3 LEU A 11 -1.914 9.173 12.308 1.00 0.68 H new ATOM 0 HG LEU A 11 -2.169 10.241 10.246 1.00 0.91 H new ATOM 0 HD11 LEU A 11 -0.728 8.826 8.745 1.00 1.91 H new ATOM 0 HD12 LEU A 11 -0.156 8.882 10.429 1.00 1.91 H new ATOM 0 HD13 LEU A 11 -1.025 7.448 9.832 1.00 1.91 H new ATOM 0 HD21 LEU A 11 -2.939 9.057 8.156 1.00 1.23 H new ATOM 0 HD22 LEU A 11 -3.494 7.709 9.177 1.00 1.23 H new ATOM 0 HD23 LEU A 11 -4.241 9.316 9.341 1.00 1.23 H new ATOM 41 N CYS A 12 -1.398 5.615 11.654 1.00 0.62 N ATOM 42 CA CYS A 12 -0.335 4.625 11.814 1.00 0.62 C ATOM 43 C CYS A 12 0.188 4.206 10.434 1.00 0.43 C ATOM 44 O CYS A 12 -0.507 4.345 9.426 1.00 0.42 O ATOM 45 CB CYS A 12 -0.872 3.399 12.573 1.00 0.80 C ATOM 46 SG CYS A 12 -1.102 3.771 14.338 1.00 2.00 S ATOM 0 H CYS A 12 -1.922 5.459 10.793 1.00 0.62 H new ATOM 0 HA CYS A 12 0.483 5.061 12.387 1.00 0.62 H new ATOM 0 HB2 CYS A 12 -1.821 3.085 12.138 1.00 0.80 H new ATOM 0 HB3 CYS A 12 -0.178 2.566 12.461 1.00 0.80 H new ATOM 0 HG CYS A 12 -1.031 5.056 14.524 1.00 2.00 H new ATOM 52 N THR A 13 1.410 3.688 10.377 1.00 0.37 N ATOM 53 CA THR A 13 1.970 3.091 9.160 1.00 0.28 C ATOM 54 C THR A 13 1.639 1.605 9.085 1.00 0.40 C ATOM 55 O THR A 13 1.762 0.865 10.060 1.00 0.73 O ATOM 56 CB THR A 13 3.480 3.322 9.083 1.00 0.31 C ATOM 57 OG1 THR A 13 3.717 4.710 9.046 1.00 0.53 O ATOM 58 CG2 THR A 13 4.117 2.704 7.833 1.00 0.41 C ATOM 0 H THR A 13 2.046 3.668 11.174 1.00 0.37 H new ATOM 0 HA THR A 13 1.513 3.582 8.301 1.00 0.28 H new ATOM 0 HB THR A 13 3.925 2.846 9.957 1.00 0.31 H new ATOM 0 HG1 THR A 13 4.682 4.876 8.998 1.00 0.53 H new ATOM 0 HG21 THR A 13 5.189 2.902 7.835 1.00 0.41 H new ATOM 0 HG22 THR A 13 3.946 1.627 7.832 1.00 0.41 H new ATOM 0 HG23 THR A 13 3.669 3.143 6.941 1.00 0.41 H new ATOM 66 N LEU A 14 1.298 1.147 7.887 1.00 0.22 N ATOM 67 CA LEU A 14 1.193 -0.256 7.501 1.00 0.25 C ATOM 68 C LEU A 14 2.182 -0.580 6.390 1.00 0.26 C ATOM 69 O LEU A 14 2.436 0.246 5.519 1.00 0.34 O ATOM 70 CB LEU A 14 -0.263 -0.546 7.159 1.00 0.35 C ATOM 71 CG LEU A 14 -0.892 -1.171 8.411 1.00 0.53 C ATOM 72 CD1 LEU A 14 -2.385 -1.006 8.398 1.00 1.49 C ATOM 73 CD2 LEU A 14 -0.604 -2.665 8.440 1.00 2.51 C ATOM 0 H LEU A 14 1.075 1.778 7.117 1.00 0.22 H new ATOM 0 HA LEU A 14 1.471 -0.919 8.320 1.00 0.25 H new ATOM 0 HB2 LEU A 14 -0.785 0.369 6.879 1.00 0.35 H new ATOM 0 HB3 LEU A 14 -0.333 -1.226 6.310 1.00 0.35 H new ATOM 0 HG LEU A 14 -0.466 -0.670 9.280 1.00 0.53 H new ATOM 0 HD11 LEU A 14 -2.809 -1.457 9.295 1.00 1.49 H new ATOM 0 HD12 LEU A 14 -2.634 0.055 8.373 1.00 1.49 H new ATOM 0 HD13 LEU A 14 -2.798 -1.496 7.516 1.00 1.49 H new ATOM 0 HD21 LEU A 14 -1.053 -3.105 9.331 1.00 2.51 H new ATOM 0 HD22 LEU A 14 -1.027 -3.134 7.552 1.00 2.51 H new ATOM 0 HD23 LEU A 14 0.474 -2.828 8.458 1.00 2.51 H new ATOM 85 N GLU A 15 2.765 -1.771 6.467 1.00 0.40 N ATOM 86 CA GLU A 15 3.928 -2.170 5.654 1.00 0.35 C ATOM 87 C GLU A 15 3.704 -3.498 4.915 1.00 0.25 C ATOM 88 O GLU A 15 4.016 -4.586 5.412 1.00 0.28 O ATOM 89 CB GLU A 15 5.204 -2.239 6.501 1.00 0.44 C ATOM 90 CG GLU A 15 5.623 -0.919 7.160 1.00 1.05 C ATOM 91 CD GLU A 15 7.053 -0.987 7.728 1.00 1.10 C ATOM 92 OE1 GLU A 15 7.713 -2.051 7.638 1.00 1.56 O ATOM 93 OE2 GLU A 15 7.564 0.030 8.262 1.00 2.10 O ATOM 0 H GLU A 15 2.445 -2.503 7.102 1.00 0.40 H new ATOM 0 HA GLU A 15 4.052 -1.395 4.898 1.00 0.35 H new ATOM 0 HB2 GLU A 15 5.063 -2.987 7.281 1.00 0.44 H new ATOM 0 HB3 GLU A 15 6.022 -2.587 5.870 1.00 0.44 H new ATOM 0 HG2 GLU A 15 5.561 -0.113 6.429 1.00 1.05 H new ATOM 0 HG3 GLU A 15 4.925 -0.676 7.962 1.00 1.05 H new ATOM 100 N PHE A 16 3.165 -3.397 3.702 1.00 0.28 N ATOM 101 CA PHE A 16 2.740 -4.534 2.883 1.00 0.25 C ATOM 102 C PHE A 16 3.757 -4.882 1.793 1.00 0.25 C ATOM 103 O PHE A 16 4.222 -4.022 1.046 1.00 0.47 O ATOM 104 CB PHE A 16 1.407 -4.212 2.196 1.00 0.30 C ATOM 105 CG PHE A 16 0.151 -4.253 3.032 1.00 0.33 C ATOM 106 CD1 PHE A 16 -0.245 -3.124 3.770 1.00 1.84 C ATOM 107 CD2 PHE A 16 -0.679 -5.392 2.979 1.00 2.23 C ATOM 108 CE1 PHE A 16 -1.492 -3.112 4.417 1.00 1.81 C ATOM 109 CE2 PHE A 16 -1.941 -5.367 3.602 1.00 2.28 C ATOM 110 CZ PHE A 16 -2.349 -4.222 4.306 1.00 0.46 C ATOM 0 H PHE A 16 3.007 -2.498 3.248 1.00 0.28 H new ATOM 0 HA PHE A 16 2.644 -5.385 3.557 1.00 0.25 H new ATOM 0 HB2 PHE A 16 1.487 -3.215 1.762 1.00 0.30 H new ATOM 0 HB3 PHE A 16 1.280 -4.910 1.369 1.00 0.30 H new ATOM 0 HD1 PHE A 16 0.409 -2.267 3.840 1.00 1.84 H new ATOM 0 HD2 PHE A 16 -0.347 -6.280 2.462 1.00 2.23 H new ATOM 0 HE1 PHE A 16 -1.792 -2.253 4.998 1.00 1.81 H new ATOM 0 HE2 PHE A 16 -2.593 -6.225 3.539 1.00 2.28 H new ATOM 0 HZ PHE A 16 -3.326 -4.194 4.765 1.00 0.46 H new ATOM 120 N ALA A 17 4.000 -6.177 1.633 1.00 0.21 N ATOM 121 CA ALA A 17 4.659 -6.728 0.448 1.00 0.23 C ATOM 122 C ALA A 17 3.662 -6.836 -0.726 1.00 0.32 C ATOM 123 O ALA A 17 2.471 -7.051 -0.502 1.00 0.58 O ATOM 124 CB ALA A 17 5.274 -8.087 0.796 1.00 0.30 C ATOM 0 H ALA A 17 3.745 -6.882 2.325 1.00 0.21 H new ATOM 0 HA ALA A 17 5.459 -6.059 0.130 1.00 0.23 H new ATOM 0 HB1 ALA A 17 5.766 -8.500 -0.085 1.00 0.30 H new ATOM 0 HB2 ALA A 17 6.005 -7.962 1.595 1.00 0.30 H new ATOM 0 HB3 ALA A 17 4.489 -8.768 1.126 1.00 0.30 H new ATOM 130 N VAL A 18 4.118 -6.643 -1.967 1.00 0.26 N ATOM 131 CA VAL A 18 3.281 -6.636 -3.191 1.00 0.29 C ATOM 132 C VAL A 18 3.993 -7.272 -4.393 1.00 0.34 C ATOM 133 O VAL A 18 5.219 -7.398 -4.382 1.00 0.58 O ATOM 134 CB VAL A 18 2.834 -5.203 -3.548 1.00 0.41 C ATOM 135 CG1 VAL A 18 1.770 -4.647 -2.593 1.00 0.50 C ATOM 136 CG2 VAL A 18 4.010 -4.242 -3.553 1.00 0.49 C ATOM 0 H VAL A 18 5.106 -6.482 -2.164 1.00 0.26 H new ATOM 0 HA VAL A 18 2.403 -7.242 -2.966 1.00 0.29 H new ATOM 0 HB VAL A 18 2.400 -5.281 -4.545 1.00 0.41 H new ATOM 0 HG11 VAL A 18 1.499 -3.637 -2.899 1.00 0.50 H new ATOM 0 HG12 VAL A 18 0.886 -5.284 -2.622 1.00 0.50 H new ATOM 0 HG13 VAL A 18 2.168 -4.625 -1.578 1.00 0.50 H new ATOM 0 HG21 VAL A 18 3.661 -3.241 -3.808 1.00 0.49 H new ATOM 0 HG22 VAL A 18 4.470 -4.225 -2.565 1.00 0.49 H new ATOM 0 HG23 VAL A 18 4.744 -4.569 -4.289 1.00 0.49 H new ATOM 146 N GLN A 19 3.270 -7.646 -5.459 1.00 0.35 N ATOM 147 CA GLN A 19 3.894 -8.198 -6.674 1.00 0.37 C ATOM 148 C GLN A 19 4.095 -7.108 -7.746 1.00 0.37 C ATOM 149 O GLN A 19 3.212 -6.865 -8.571 1.00 0.45 O ATOM 150 CB GLN A 19 3.042 -9.371 -7.195 1.00 0.57 C ATOM 151 CG GLN A 19 3.013 -10.606 -6.276 1.00 1.41 C ATOM 152 CD GLN A 19 4.348 -11.331 -6.187 1.00 2.46 C ATOM 153 OE1 GLN A 19 5.088 -11.191 -5.221 1.00 4.14 O ATOM 154 NE2 GLN A 19 4.722 -12.132 -7.158 1.00 2.80 N ATOM 0 H GLN A 19 2.253 -7.577 -5.506 1.00 0.35 H new ATOM 0 HA GLN A 19 4.887 -8.574 -6.429 1.00 0.37 H new ATOM 0 HB2 GLN A 19 2.020 -9.022 -7.343 1.00 0.57 H new ATOM 0 HB3 GLN A 19 3.421 -9.671 -8.172 1.00 0.57 H new ATOM 0 HG2 GLN A 19 2.710 -10.297 -5.276 1.00 1.41 H new ATOM 0 HG3 GLN A 19 2.255 -11.301 -6.639 1.00 1.41 H new ATOM 0 HE21 GLN A 19 4.121 -12.263 -7.971 1.00 2.80 H new ATOM 0 HE22 GLN A 19 5.614 -12.623 -7.099 1.00 2.80 H new ATOM 163 N MET A 20 5.269 -6.463 -7.759 1.00 0.37 N ATOM 164 CA MET A 20 5.705 -5.557 -8.835 1.00 0.43 C ATOM 165 C MET A 20 7.236 -5.399 -8.904 1.00 0.56 C ATOM 166 O MET A 20 7.929 -5.550 -7.898 1.00 0.68 O ATOM 167 CB MET A 20 5.036 -4.184 -8.679 1.00 0.36 C ATOM 168 CG MET A 20 5.241 -3.584 -7.289 1.00 0.33 C ATOM 169 SD MET A 20 4.458 -1.975 -7.062 1.00 0.55 S ATOM 170 CE MET A 20 5.149 -1.637 -5.432 1.00 0.38 C ATOM 0 H MET A 20 5.955 -6.556 -7.010 1.00 0.37 H new ATOM 0 HA MET A 20 5.392 -6.012 -9.775 1.00 0.43 H new ATOM 0 HB2 MET A 20 5.437 -3.501 -9.428 1.00 0.36 H new ATOM 0 HB3 MET A 20 3.968 -4.280 -8.875 1.00 0.36 H new ATOM 0 HG2 MET A 20 4.848 -4.276 -6.544 1.00 0.33 H new ATOM 0 HG3 MET A 20 6.310 -3.486 -7.101 1.00 0.33 H new ATOM 0 HE1 MET A 20 4.389 -1.172 -4.804 1.00 0.38 H new ATOM 0 HE2 MET A 20 5.476 -2.571 -4.975 1.00 0.38 H new ATOM 0 HE3 MET A 20 6.000 -0.963 -5.530 1.00 0.38 H new ATOM 180 N THR A 21 7.750 -5.068 -10.093 1.00 0.67 N ATOM 181 CA THR A 21 9.190 -5.019 -10.428 1.00 0.87 C ATOM 182 C THR A 21 9.566 -3.993 -11.520 1.00 0.66 C ATOM 183 O THR A 21 10.743 -3.639 -11.641 1.00 0.84 O ATOM 184 CB THR A 21 9.673 -6.439 -10.794 1.00 1.31 C ATOM 185 OG1 THR A 21 10.987 -6.447 -11.321 1.00 2.83 O ATOM 186 CG2 THR A 21 8.781 -7.175 -11.790 1.00 1.14 C ATOM 0 H THR A 21 7.157 -4.816 -10.884 1.00 0.67 H new ATOM 0 HA THR A 21 9.708 -4.661 -9.538 1.00 0.87 H new ATOM 0 HB THR A 21 9.636 -6.963 -9.839 1.00 1.31 H new ATOM 0 HG1 THR A 21 11.248 -7.367 -11.536 1.00 2.83 H new ATOM 0 HG21 THR A 21 9.196 -8.163 -11.989 1.00 1.14 H new ATOM 0 HG22 THR A 21 7.779 -7.279 -11.373 1.00 1.14 H new ATOM 0 HG23 THR A 21 8.730 -6.609 -12.720 1.00 1.14 H new ATOM 194 N CYS A 22 8.611 -3.473 -12.304 1.00 0.48 N ATOM 195 CA CYS A 22 8.833 -2.388 -13.269 1.00 0.50 C ATOM 196 C CYS A 22 8.127 -1.066 -12.860 1.00 0.47 C ATOM 197 O CYS A 22 7.146 -1.060 -12.109 1.00 0.48 O ATOM 198 CB CYS A 22 8.540 -2.909 -14.695 1.00 0.72 C ATOM 199 SG CYS A 22 7.003 -2.324 -15.470 1.00 1.04 S ATOM 0 H CYS A 22 7.645 -3.801 -12.284 1.00 0.48 H new ATOM 0 HA CYS A 22 9.882 -2.092 -13.266 1.00 0.50 H new ATOM 0 HB2 CYS A 22 9.374 -2.630 -15.339 1.00 0.72 H new ATOM 0 HB3 CYS A 22 8.513 -3.998 -14.662 1.00 0.72 H new ATOM 0 HG CYS A 22 6.893 -2.840 -16.658 1.00 1.04 H new ATOM 204 N GLN A 23 8.648 0.061 -13.362 1.00 0.53 N ATOM 205 CA GLN A 23 8.273 1.424 -12.950 1.00 0.58 C ATOM 206 C GLN A 23 6.796 1.813 -13.184 1.00 0.58 C ATOM 207 O GLN A 23 6.286 2.689 -12.476 1.00 0.63 O ATOM 208 CB GLN A 23 9.250 2.445 -13.567 1.00 0.69 C ATOM 209 CG GLN A 23 10.539 2.567 -12.726 1.00 1.16 C ATOM 210 CD GLN A 23 10.290 3.129 -11.322 1.00 1.27 C ATOM 211 OE1 GLN A 23 9.350 3.876 -11.082 1.00 2.19 O ATOM 212 NE2 GLN A 23 11.088 2.771 -10.342 1.00 1.38 N ATOM 0 H GLN A 23 9.364 0.051 -14.088 1.00 0.53 H new ATOM 0 HA GLN A 23 8.361 1.439 -11.864 1.00 0.58 H new ATOM 0 HB2 GLN A 23 9.503 2.141 -14.583 1.00 0.69 H new ATOM 0 HB3 GLN A 23 8.765 3.419 -13.637 1.00 0.69 H new ATOM 0 HG2 GLN A 23 11.004 1.585 -12.641 1.00 1.16 H new ATOM 0 HG3 GLN A 23 11.247 3.211 -13.248 1.00 1.16 H new ATOM 0 HE21 GLN A 23 11.875 2.149 -10.527 1.00 1.38 H new ATOM 0 HE22 GLN A 23 10.920 3.115 -9.396 1.00 1.38 H new ATOM 221 N SER A 24 6.073 1.147 -14.089 1.00 0.58 N ATOM 222 CA SER A 24 4.629 1.374 -14.296 1.00 0.64 C ATOM 223 C SER A 24 3.762 0.925 -13.119 1.00 0.56 C ATOM 224 O SER A 24 2.751 1.571 -12.837 1.00 0.65 O ATOM 225 CB SER A 24 4.145 0.644 -15.555 1.00 0.87 C ATOM 226 OG SER A 24 4.822 1.129 -16.697 1.00 1.15 O ATOM 0 H SER A 24 6.467 0.434 -14.702 1.00 0.58 H new ATOM 0 HA SER A 24 4.517 2.453 -14.400 1.00 0.64 H new ATOM 0 HB2 SER A 24 4.317 -0.427 -15.450 1.00 0.87 H new ATOM 0 HB3 SER A 24 3.071 0.785 -15.674 1.00 0.87 H new ATOM 0 HG SER A 24 4.504 0.653 -17.492 1.00 1.15 H new ATOM 232 N CYS A 25 4.145 -0.144 -12.419 1.00 0.50 N ATOM 233 CA CYS A 25 3.331 -0.762 -11.382 1.00 0.46 C ATOM 234 C CYS A 25 3.475 -0.016 -10.030 1.00 0.43 C ATOM 235 O CYS A 25 2.503 0.161 -9.304 1.00 0.50 O ATOM 236 CB CYS A 25 3.724 -2.242 -11.365 1.00 0.49 C ATOM 237 SG CYS A 25 3.480 -3.103 -12.944 1.00 0.70 S ATOM 0 H CYS A 25 5.042 -0.608 -12.562 1.00 0.50 H new ATOM 0 HA CYS A 25 2.262 -0.690 -11.583 1.00 0.46 H new ATOM 0 HB2 CYS A 25 4.773 -2.323 -11.080 1.00 0.49 H new ATOM 0 HB3 CYS A 25 3.144 -2.750 -10.595 1.00 0.49 H new ATOM 0 HG CYS A 25 3.844 -4.345 -12.822 1.00 0.70 H new ATOM 242 N VAL A 26 4.666 0.519 -9.757 1.00 0.39 N ATOM 243 CA VAL A 26 4.968 1.513 -8.711 1.00 0.36 C ATOM 244 C VAL A 26 3.964 2.662 -8.768 1.00 0.33 C ATOM 245 O VAL A 26 3.258 2.916 -7.797 1.00 0.34 O ATOM 246 CB VAL A 26 6.392 2.085 -8.906 1.00 0.45 C ATOM 247 CG1 VAL A 26 7.053 2.482 -7.594 1.00 0.49 C ATOM 248 CG2 VAL A 26 7.336 1.078 -9.519 1.00 0.69 C ATOM 0 H VAL A 26 5.498 0.259 -10.287 1.00 0.39 H new ATOM 0 HA VAL A 26 4.904 1.016 -7.743 1.00 0.36 H new ATOM 0 HB VAL A 26 6.238 2.948 -9.554 1.00 0.45 H new ATOM 0 HG11 VAL A 26 8.049 2.876 -7.793 1.00 0.49 H new ATOM 0 HG12 VAL A 26 6.452 3.246 -7.101 1.00 0.49 H new ATOM 0 HG13 VAL A 26 7.131 1.608 -6.947 1.00 0.49 H new ATOM 0 HG21 VAL A 26 8.322 1.528 -9.635 1.00 0.69 H new ATOM 0 HG22 VAL A 26 7.409 0.206 -8.870 1.00 0.69 H new ATOM 0 HG23 VAL A 26 6.959 0.773 -10.495 1.00 0.69 H new ATOM 258 N ASP A 27 3.823 3.291 -9.939 1.00 0.36 N ATOM 259 CA ASP A 27 2.858 4.369 -10.157 1.00 0.43 C ATOM 260 C ASP A 27 1.418 3.872 -10.004 1.00 0.42 C ATOM 261 O ASP A 27 0.582 4.576 -9.444 1.00 0.50 O ATOM 262 CB ASP A 27 3.055 4.956 -11.563 1.00 0.56 C ATOM 263 CG ASP A 27 2.711 6.446 -11.627 1.00 1.11 C ATOM 264 OD1 ASP A 27 3.350 7.243 -10.901 1.00 1.92 O ATOM 265 OD2 ASP A 27 1.841 6.843 -12.438 1.00 2.24 O ATOM 0 H ASP A 27 4.378 3.065 -10.764 1.00 0.36 H new ATOM 0 HA ASP A 27 3.031 5.137 -9.403 1.00 0.43 H new ATOM 0 HB2 ASP A 27 4.090 4.811 -11.872 1.00 0.56 H new ATOM 0 HB3 ASP A 27 2.431 4.411 -12.272 1.00 0.56 H new ATOM 270 N ALA A 28 1.142 2.640 -10.445 1.00 0.41 N ATOM 271 CA ALA A 28 -0.201 2.078 -10.422 1.00 0.47 C ATOM 272 C ALA A 28 -0.683 1.889 -8.983 1.00 0.38 C ATOM 273 O ALA A 28 -1.792 2.320 -8.644 1.00 0.41 O ATOM 274 CB ALA A 28 -0.214 0.756 -11.198 1.00 0.64 C ATOM 0 H ALA A 28 1.847 2.009 -10.827 1.00 0.41 H new ATOM 0 HA ALA A 28 -0.891 2.770 -10.905 1.00 0.47 H new ATOM 0 HB1 ALA A 28 -1.219 0.334 -11.181 1.00 0.64 H new ATOM 0 HB2 ALA A 28 0.087 0.937 -12.230 1.00 0.64 H new ATOM 0 HB3 ALA A 28 0.481 0.056 -10.735 1.00 0.64 H new ATOM 280 N VAL A 29 0.146 1.295 -8.112 1.00 0.36 N ATOM 281 CA VAL A 29 -0.238 1.012 -6.739 1.00 0.41 C ATOM 282 C VAL A 29 -0.265 2.299 -5.916 1.00 0.42 C ATOM 283 O VAL A 29 -1.233 2.523 -5.187 1.00 0.53 O ATOM 284 CB VAL A 29 0.645 -0.095 -6.134 1.00 0.52 C ATOM 285 CG1 VAL A 29 0.062 -0.525 -4.795 1.00 0.63 C ATOM 286 CG2 VAL A 29 0.674 -1.389 -6.966 1.00 0.60 C ATOM 0 H VAL A 29 1.094 1.002 -8.347 1.00 0.36 H new ATOM 0 HA VAL A 29 -1.254 0.618 -6.723 1.00 0.41 H new ATOM 0 HB VAL A 29 1.644 0.336 -6.076 1.00 0.52 H new ATOM 0 HG11 VAL A 29 0.684 -1.309 -4.362 1.00 0.63 H new ATOM 0 HG12 VAL A 29 0.033 0.330 -4.119 1.00 0.63 H new ATOM 0 HG13 VAL A 29 -0.949 -0.904 -4.943 1.00 0.63 H new ATOM 0 HG21 VAL A 29 1.316 -2.122 -6.477 1.00 0.60 H new ATOM 0 HG22 VAL A 29 -0.336 -1.790 -7.050 1.00 0.60 H new ATOM 0 HG23 VAL A 29 1.062 -1.173 -7.961 1.00 0.60 H new ATOM 296 N ARG A 30 0.687 3.225 -6.127 1.00 0.37 N ATOM 297 CA ARG A 30 0.642 4.578 -5.539 1.00 0.39 C ATOM 298 C ARG A 30 -0.645 5.307 -5.923 1.00 0.43 C ATOM 299 O ARG A 30 -1.149 6.079 -5.123 1.00 0.56 O ATOM 300 CB ARG A 30 1.830 5.414 -6.054 1.00 0.39 C ATOM 301 CG ARG A 30 3.201 4.991 -5.501 1.00 0.37 C ATOM 302 CD ARG A 30 4.318 5.705 -6.282 1.00 0.45 C ATOM 303 NE ARG A 30 4.511 7.074 -5.768 1.00 1.61 N ATOM 304 CZ ARG A 30 5.415 7.958 -6.139 1.00 1.98 C ATOM 305 NH1 ARG A 30 6.193 7.810 -7.168 1.00 2.48 N ATOM 306 NH2 ARG A 30 5.547 9.061 -5.470 1.00 3.10 N ATOM 0 H ARG A 30 1.508 3.058 -6.709 1.00 0.37 H new ATOM 0 HA ARG A 30 0.687 4.465 -4.456 1.00 0.39 H new ATOM 0 HB2 ARG A 30 1.857 5.350 -7.142 1.00 0.39 H new ATOM 0 HB3 ARG A 30 1.658 6.460 -5.800 1.00 0.39 H new ATOM 0 HG2 ARG A 30 3.269 5.239 -4.442 1.00 0.37 H new ATOM 0 HG3 ARG A 30 3.320 3.911 -5.584 1.00 0.37 H new ATOM 0 HD2 ARG A 30 5.248 5.143 -6.195 1.00 0.45 H new ATOM 0 HD3 ARG A 30 4.064 5.740 -7.342 1.00 0.45 H new ATOM 0 HE ARG A 30 3.866 7.373 -5.036 1.00 1.61 H new ATOM 0 HH11 ARG A 30 6.124 6.970 -7.743 1.00 2.48 H new ATOM 0 HH12 ARG A 30 6.873 8.533 -7.401 1.00 2.48 H new ATOM 0 HH21 ARG A 30 4.953 9.241 -4.661 1.00 3.10 H new ATOM 0 HH22 ARG A 30 6.245 9.749 -5.753 1.00 3.10 H new ATOM 320 N LYS A 31 -1.198 5.056 -7.113 1.00 0.46 N ATOM 321 CA LYS A 31 -2.444 5.671 -7.607 1.00 0.58 C ATOM 322 C LYS A 31 -3.726 4.938 -7.213 1.00 0.66 C ATOM 323 O LYS A 31 -4.789 5.557 -7.235 1.00 0.81 O ATOM 324 CB LYS A 31 -2.305 6.024 -9.090 1.00 0.67 C ATOM 325 CG LYS A 31 -1.298 7.183 -9.111 1.00 0.65 C ATOM 326 CD LYS A 31 -0.923 7.681 -10.492 1.00 0.79 C ATOM 327 CE LYS A 31 -0.011 8.874 -10.213 1.00 0.81 C ATOM 328 NZ LYS A 31 0.626 9.344 -11.466 1.00 1.06 N ATOM 0 H LYS A 31 -0.785 4.404 -7.780 1.00 0.46 H new ATOM 0 HA LYS A 31 -2.581 6.613 -7.075 1.00 0.58 H new ATOM 0 HB2 LYS A 31 -1.945 5.174 -9.669 1.00 0.67 H new ATOM 0 HB3 LYS A 31 -3.262 6.320 -9.520 1.00 0.67 H new ATOM 0 HG2 LYS A 31 -1.712 8.015 -8.541 1.00 0.65 H new ATOM 0 HG3 LYS A 31 -0.391 6.865 -8.597 1.00 0.65 H new ATOM 0 HD2 LYS A 31 -0.410 6.912 -11.069 1.00 0.79 H new ATOM 0 HD3 LYS A 31 -1.803 7.975 -11.064 1.00 0.79 H new ATOM 0 HE2 LYS A 31 -0.588 9.683 -9.765 1.00 0.81 H new ATOM 0 HE3 LYS A 31 0.756 8.592 -9.492 1.00 0.81 H new ATOM 0 HZ1 LYS A 31 1.319 10.088 -11.245 1.00 1.06 H new ATOM 0 HZ2 LYS A 31 1.108 8.548 -11.930 1.00 1.06 H new ATOM 0 HZ3 LYS A 31 -0.102 9.727 -12.103 1.00 1.06 H new ATOM 342 N SER A 32 -3.663 3.669 -6.797 1.00 0.63 N ATOM 343 CA SER A 32 -4.746 3.080 -5.986 1.00 0.63 C ATOM 344 C SER A 32 -4.759 3.692 -4.575 1.00 0.56 C ATOM 345 O SER A 32 -5.826 3.900 -4.002 1.00 0.68 O ATOM 346 CB SER A 32 -4.643 1.551 -5.898 1.00 0.71 C ATOM 347 OG SER A 32 -5.863 1.039 -5.382 1.00 0.97 O ATOM 0 H SER A 32 -2.890 3.035 -7.001 1.00 0.63 H new ATOM 0 HA SER A 32 -5.684 3.316 -6.489 1.00 0.63 H new ATOM 0 HB2 SER A 32 -4.443 1.129 -6.883 1.00 0.71 H new ATOM 0 HB3 SER A 32 -3.811 1.265 -5.254 1.00 0.71 H new ATOM 0 HG SER A 32 -5.680 0.245 -4.838 1.00 0.97 H new ATOM 353 N LEU A 33 -3.582 4.044 -4.043 1.00 0.53 N ATOM 354 CA LEU A 33 -3.402 4.649 -2.718 1.00 0.53 C ATOM 355 C LEU A 33 -3.710 6.161 -2.669 1.00 0.48 C ATOM 356 O LEU A 33 -4.272 6.644 -1.687 1.00 0.52 O ATOM 357 CB LEU A 33 -1.954 4.377 -2.270 1.00 0.61 C ATOM 358 CG LEU A 33 -1.639 2.891 -2.009 1.00 0.48 C ATOM 359 CD1 LEU A 33 -0.143 2.575 -2.064 1.00 0.72 C ATOM 360 CD2 LEU A 33 -2.106 2.519 -0.614 1.00 0.66 C ATOM 0 H LEU A 33 -2.701 3.911 -4.539 1.00 0.53 H new ATOM 0 HA LEU A 33 -4.124 4.193 -2.041 1.00 0.53 H new ATOM 0 HB2 LEU A 33 -1.273 4.752 -3.034 1.00 0.61 H new ATOM 0 HB3 LEU A 33 -1.755 4.944 -1.360 1.00 0.61 H new ATOM 0 HG LEU A 33 -2.149 2.329 -2.792 1.00 0.48 H new ATOM 0 HD11 LEU A 33 0.012 1.513 -1.872 1.00 0.72 H new ATOM 0 HD12 LEU A 33 0.246 2.826 -3.051 1.00 0.72 H new ATOM 0 HD13 LEU A 33 0.381 3.160 -1.308 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -1.885 1.469 -0.425 1.00 0.66 H new ATOM 0 HD22 LEU A 33 -1.588 3.137 0.120 1.00 0.66 H new ATOM 0 HD23 LEU A 33 -3.180 2.684 -0.534 1.00 0.66 H new ATOM 372 N GLN A 34 -3.370 6.913 -3.716 1.00 0.45 N ATOM 373 CA GLN A 34 -3.627 8.352 -3.825 1.00 0.55 C ATOM 374 C GLN A 34 -5.135 8.621 -3.863 1.00 0.70 C ATOM 375 O GLN A 34 -5.889 8.004 -4.616 1.00 0.85 O ATOM 376 CB GLN A 34 -2.860 8.936 -5.035 1.00 0.69 C ATOM 377 CG GLN A 34 -1.459 9.411 -4.615 1.00 0.82 C ATOM 378 CD GLN A 34 -0.540 9.814 -5.774 1.00 0.85 C ATOM 379 OE1 GLN A 34 -0.953 10.049 -6.903 1.00 1.45 O ATOM 380 NE2 GLN A 34 0.746 9.952 -5.527 1.00 0.91 N ATOM 0 H GLN A 34 -2.896 6.530 -4.534 1.00 0.45 H new ATOM 0 HA GLN A 34 -3.250 8.868 -2.942 1.00 0.55 H new ATOM 0 HB2 GLN A 34 -2.774 8.180 -5.816 1.00 0.69 H new ATOM 0 HB3 GLN A 34 -3.420 9.770 -5.458 1.00 0.69 H new ATOM 0 HG2 GLN A 34 -1.566 10.262 -3.943 1.00 0.82 H new ATOM 0 HG3 GLN A 34 -0.976 8.615 -4.048 1.00 0.82 H new ATOM 0 HE21 GLN A 34 1.109 9.761 -4.593 1.00 0.91 H new ATOM 0 HE22 GLN A 34 1.379 10.250 -6.269 1.00 0.91 H new ATOM 389 N GLY A 35 -5.566 9.532 -2.998 1.00 0.77 N ATOM 390 CA GLY A 35 -6.975 9.886 -2.781 1.00 0.96 C ATOM 391 C GLY A 35 -7.805 8.918 -1.920 1.00 0.94 C ATOM 392 O GLY A 35 -9.028 9.082 -1.852 1.00 1.15 O ATOM 0 H GLY A 35 -4.929 10.065 -2.407 1.00 0.77 H new ATOM 0 HA2 GLY A 35 -7.011 10.871 -2.316 1.00 0.96 H new ATOM 0 HA3 GLY A 35 -7.457 9.975 -3.754 1.00 0.96 H new ATOM 396 N VAL A 36 -7.203 7.925 -1.247 1.00 0.81 N ATOM 397 CA VAL A 36 -7.909 7.009 -0.347 1.00 0.90 C ATOM 398 C VAL A 36 -8.452 7.778 0.850 1.00 0.74 C ATOM 399 O VAL A 36 -7.757 8.568 1.495 1.00 0.52 O ATOM 400 CB VAL A 36 -7.003 5.833 0.071 1.00 0.96 C ATOM 401 CG1 VAL A 36 -7.481 5.053 1.305 1.00 1.25 C ATOM 402 CG2 VAL A 36 -6.917 4.833 -1.087 1.00 1.30 C ATOM 0 H VAL A 36 -6.203 7.736 -1.315 1.00 0.81 H new ATOM 0 HA VAL A 36 -8.757 6.572 -0.874 1.00 0.90 H new ATOM 0 HB VAL A 36 -6.045 6.286 0.325 1.00 0.96 H new ATOM 0 HG11 VAL A 36 -6.780 4.247 1.520 1.00 1.25 H new ATOM 0 HG12 VAL A 36 -7.535 5.725 2.162 1.00 1.25 H new ATOM 0 HG13 VAL A 36 -8.468 4.633 1.110 1.00 1.25 H new ATOM 0 HG21 VAL A 36 -6.278 3.998 -0.800 1.00 1.30 H new ATOM 0 HG22 VAL A 36 -7.915 4.462 -1.322 1.00 1.30 H new ATOM 0 HG23 VAL A 36 -6.497 5.327 -1.963 1.00 1.30 H new ATOM 412 N ALA A 37 -9.715 7.519 1.144 1.00 1.03 N ATOM 413 CA ALA A 37 -10.409 8.087 2.289 1.00 1.02 C ATOM 414 C ALA A 37 -9.863 7.455 3.582 1.00 0.81 C ATOM 415 O ALA A 37 -10.144 6.287 3.876 1.00 0.87 O ATOM 416 CB ALA A 37 -11.915 7.874 2.095 1.00 1.33 C ATOM 0 H ALA A 37 -10.298 6.897 0.584 1.00 1.03 H new ATOM 0 HA ALA A 37 -10.237 9.160 2.373 1.00 1.02 H new ATOM 0 HB1 ALA A 37 -12.454 8.294 2.944 1.00 1.33 H new ATOM 0 HB2 ALA A 37 -12.238 8.370 1.180 1.00 1.33 H new ATOM 0 HB3 ALA A 37 -12.125 6.807 2.023 1.00 1.33 H new ATOM 422 N GLY A 38 -9.089 8.230 4.348 1.00 0.67 N ATOM 423 CA GLY A 38 -8.342 7.784 5.529 1.00 0.51 C ATOM 424 C GLY A 38 -6.834 7.578 5.310 1.00 0.39 C ATOM 425 O GLY A 38 -6.178 7.019 6.191 1.00 0.35 O ATOM 0 H GLY A 38 -8.960 9.223 4.155 1.00 0.67 H new ATOM 0 HA2 GLY A 38 -8.481 8.516 6.325 1.00 0.51 H new ATOM 0 HA3 GLY A 38 -8.774 6.846 5.879 1.00 0.51 H new ATOM 429 N VAL A 39 -6.257 7.997 4.173 1.00 0.39 N ATOM 430 CA VAL A 39 -4.795 8.019 3.957 1.00 0.36 C ATOM 431 C VAL A 39 -4.231 9.427 4.179 1.00 0.45 C ATOM 432 O VAL A 39 -4.838 10.425 3.781 1.00 0.66 O ATOM 433 CB VAL A 39 -4.412 7.451 2.568 1.00 0.43 C ATOM 434 CG1 VAL A 39 -4.388 8.472 1.427 1.00 1.41 C ATOM 435 CG2 VAL A 39 -3.050 6.749 2.603 1.00 1.45 C ATOM 0 H VAL A 39 -6.791 8.332 3.371 1.00 0.39 H new ATOM 0 HA VAL A 39 -4.338 7.363 4.698 1.00 0.36 H new ATOM 0 HB VAL A 39 -5.216 6.747 2.354 1.00 0.43 H new ATOM 0 HG11 VAL A 39 -4.109 7.974 0.499 1.00 1.41 H new ATOM 0 HG12 VAL A 39 -5.377 8.918 1.317 1.00 1.41 H new ATOM 0 HG13 VAL A 39 -3.661 9.253 1.652 1.00 1.41 H new ATOM 0 HG21 VAL A 39 -2.814 6.363 1.611 1.00 1.45 H new ATOM 0 HG22 VAL A 39 -2.282 7.460 2.908 1.00 1.45 H new ATOM 0 HG23 VAL A 39 -3.084 5.924 3.315 1.00 1.45 H new ATOM 445 N GLN A 40 -3.038 9.524 4.761 1.00 0.38 N ATOM 446 CA GLN A 40 -2.212 10.729 4.705 1.00 0.52 C ATOM 447 C GLN A 40 -1.189 10.621 3.574 1.00 0.73 C ATOM 448 O GLN A 40 -1.131 11.473 2.689 1.00 1.08 O ATOM 449 CB GLN A 40 -1.509 10.941 6.059 1.00 0.67 C ATOM 450 CG GLN A 40 -2.399 11.652 7.088 1.00 0.82 C ATOM 451 CD GLN A 40 -2.715 13.107 6.744 1.00 2.00 C ATOM 452 OE1 GLN A 40 -2.190 13.706 5.814 1.00 3.25 O ATOM 453 NE2 GLN A 40 -3.606 13.717 7.480 1.00 2.12 N ATOM 0 H GLN A 40 -2.613 8.762 5.290 1.00 0.38 H new ATOM 0 HA GLN A 40 -2.849 11.590 4.503 1.00 0.52 H new ATOM 0 HB2 GLN A 40 -1.201 9.975 6.458 1.00 0.67 H new ATOM 0 HB3 GLN A 40 -0.602 11.526 5.904 1.00 0.67 H new ATOM 0 HG2 GLN A 40 -3.335 11.102 7.184 1.00 0.82 H new ATOM 0 HG3 GLN A 40 -1.908 11.619 8.061 1.00 0.82 H new ATOM 0 HE21 GLN A 40 -4.049 13.226 8.257 1.00 2.12 H new ATOM 0 HE22 GLN A 40 -3.859 14.684 7.278 1.00 2.12 H new ATOM 462 N ASP A 41 -0.374 9.570 3.597 1.00 0.58 N ATOM 463 CA ASP A 41 0.856 9.490 2.815 1.00 0.57 C ATOM 464 C ASP A 41 1.272 8.031 2.589 1.00 0.36 C ATOM 465 O ASP A 41 0.745 7.096 3.191 1.00 0.31 O ATOM 466 CB ASP A 41 1.969 10.268 3.546 1.00 0.71 C ATOM 467 CG ASP A 41 1.927 11.776 3.256 1.00 1.22 C ATOM 468 OD1 ASP A 41 2.453 12.199 2.196 1.00 2.62 O ATOM 469 OD2 ASP A 41 1.393 12.558 4.077 1.00 1.81 O ATOM 0 H ASP A 41 -0.551 8.741 4.165 1.00 0.58 H new ATOM 0 HA ASP A 41 0.685 9.935 1.835 1.00 0.57 H new ATOM 0 HB2 ASP A 41 1.875 10.106 4.620 1.00 0.71 H new ATOM 0 HB3 ASP A 41 2.940 9.872 3.248 1.00 0.71 H new ATOM 474 N VAL A 42 2.244 7.852 1.706 1.00 0.36 N ATOM 475 CA VAL A 42 2.805 6.561 1.286 1.00 0.40 C ATOM 476 C VAL A 42 4.308 6.651 1.025 1.00 0.42 C ATOM 477 O VAL A 42 4.831 7.724 0.717 1.00 0.44 O ATOM 478 CB VAL A 42 2.095 6.019 0.030 1.00 0.59 C ATOM 479 CG1 VAL A 42 0.639 5.653 0.314 1.00 0.90 C ATOM 480 CG2 VAL A 42 2.117 6.972 -1.173 1.00 0.73 C ATOM 0 H VAL A 42 2.690 8.639 1.235 1.00 0.36 H new ATOM 0 HA VAL A 42 2.639 5.869 2.112 1.00 0.40 H new ATOM 0 HB VAL A 42 2.673 5.133 -0.232 1.00 0.59 H new ATOM 0 HG11 VAL A 42 0.174 5.275 -0.597 1.00 0.90 H new ATOM 0 HG12 VAL A 42 0.601 4.885 1.086 1.00 0.90 H new ATOM 0 HG13 VAL A 42 0.101 6.538 0.655 1.00 0.90 H new ATOM 0 HG21 VAL A 42 1.596 6.511 -2.012 1.00 0.73 H new ATOM 0 HG22 VAL A 42 1.622 7.906 -0.907 1.00 0.73 H new ATOM 0 HG23 VAL A 42 3.149 7.177 -1.456 1.00 0.73 H new ATOM 490 N GLU A 43 5.008 5.521 1.093 1.00 0.49 N ATOM 491 CA GLU A 43 6.361 5.374 0.543 1.00 0.57 C ATOM 492 C GLU A 43 6.523 3.959 -0.031 1.00 0.63 C ATOM 493 O GLU A 43 6.532 2.972 0.701 1.00 0.95 O ATOM 494 CB GLU A 43 7.410 5.709 1.624 1.00 0.59 C ATOM 495 CG GLU A 43 8.848 5.693 1.081 1.00 0.71 C ATOM 496 CD GLU A 43 9.889 6.157 2.115 1.00 1.76 C ATOM 497 OE1 GLU A 43 9.602 6.177 3.337 1.00 2.80 O ATOM 498 OE2 GLU A 43 11.023 6.519 1.715 1.00 2.64 O ATOM 0 H GLU A 43 4.653 4.673 1.534 1.00 0.49 H new ATOM 0 HA GLU A 43 6.520 6.078 -0.274 1.00 0.57 H new ATOM 0 HB2 GLU A 43 7.194 6.693 2.041 1.00 0.59 H new ATOM 0 HB3 GLU A 43 7.326 4.992 2.440 1.00 0.59 H new ATOM 0 HG2 GLU A 43 9.095 4.683 0.754 1.00 0.71 H new ATOM 0 HG3 GLU A 43 8.906 6.336 0.203 1.00 0.71 H new ATOM 505 N VAL A 44 6.636 3.837 -1.353 1.00 0.41 N ATOM 506 CA VAL A 44 6.863 2.558 -2.032 1.00 0.40 C ATOM 507 C VAL A 44 8.355 2.331 -2.263 1.00 0.40 C ATOM 508 O VAL A 44 9.067 3.219 -2.736 1.00 0.45 O ATOM 509 CB VAL A 44 6.010 2.450 -3.305 1.00 0.49 C ATOM 510 CG1 VAL A 44 6.374 3.415 -4.423 1.00 1.57 C ATOM 511 CG2 VAL A 44 6.075 1.049 -3.896 1.00 1.99 C ATOM 0 H VAL A 44 6.572 4.630 -1.991 1.00 0.41 H new ATOM 0 HA VAL A 44 6.530 1.744 -1.388 1.00 0.40 H new ATOM 0 HB VAL A 44 5.011 2.708 -2.953 1.00 0.49 H new ATOM 0 HG11 VAL A 44 5.711 3.254 -5.273 1.00 1.57 H new ATOM 0 HG12 VAL A 44 6.267 4.440 -4.068 1.00 1.57 H new ATOM 0 HG13 VAL A 44 7.406 3.244 -4.730 1.00 1.57 H new ATOM 0 HG21 VAL A 44 5.461 1.005 -4.796 1.00 1.99 H new ATOM 0 HG22 VAL A 44 7.108 0.808 -4.149 1.00 1.99 H new ATOM 0 HG23 VAL A 44 5.703 0.329 -3.167 1.00 1.99 H new ATOM 521 N HIS A 45 8.813 1.120 -1.951 1.00 0.43 N ATOM 522 CA HIS A 45 10.154 0.623 -2.243 1.00 0.38 C ATOM 523 C HIS A 45 10.053 -0.538 -3.242 1.00 0.32 C ATOM 524 O HIS A 45 9.953 -1.710 -2.868 1.00 0.34 O ATOM 525 CB HIS A 45 10.860 0.179 -0.952 1.00 0.54 C ATOM 526 CG HIS A 45 11.279 1.258 0.018 1.00 0.60 C ATOM 527 ND1 HIS A 45 12.581 1.524 0.388 1.00 0.73 N ATOM 528 CD2 HIS A 45 10.469 2.023 0.819 1.00 0.66 C ATOM 529 CE1 HIS A 45 12.562 2.408 1.397 1.00 0.90 C ATOM 530 NE2 HIS A 45 11.295 2.778 1.667 1.00 0.84 N ATOM 0 H HIS A 45 8.236 0.431 -1.468 1.00 0.43 H new ATOM 0 HA HIS A 45 10.750 1.422 -2.684 1.00 0.38 H new ATOM 0 HB2 HIS A 45 10.198 -0.508 -0.426 1.00 0.54 H new ATOM 0 HB3 HIS A 45 11.749 -0.386 -1.232 1.00 0.54 H new ATOM 0 HD2 HIS A 45 9.389 2.041 0.800 1.00 0.66 H new ATOM 0 HE1 HIS A 45 13.436 2.771 1.918 1.00 0.90 H new ATOM 0 HE2 HIS A 45 10.995 3.471 2.353 1.00 0.84 H new ATOM 538 N LEU A 46 10.095 -0.206 -4.531 1.00 0.31 N ATOM 539 CA LEU A 46 10.101 -1.155 -5.649 1.00 0.34 C ATOM 540 C LEU A 46 11.267 -2.155 -5.558 1.00 0.34 C ATOM 541 O LEU A 46 11.114 -3.347 -5.830 1.00 0.46 O ATOM 542 CB LEU A 46 10.172 -0.286 -6.917 1.00 0.48 C ATOM 543 CG LEU A 46 9.990 -0.967 -8.283 1.00 0.69 C ATOM 544 CD1 LEU A 46 11.296 -1.536 -8.820 1.00 1.46 C ATOM 545 CD2 LEU A 46 8.900 -2.041 -8.292 1.00 0.88 C ATOM 0 H LEU A 46 10.127 0.766 -4.839 1.00 0.31 H new ATOM 0 HA LEU A 46 9.209 -1.782 -5.646 1.00 0.34 H new ATOM 0 HB2 LEU A 46 9.412 0.491 -6.830 1.00 0.48 H new ATOM 0 HB3 LEU A 46 11.140 0.214 -6.922 1.00 0.48 H new ATOM 0 HG LEU A 46 9.658 -0.171 -8.950 1.00 0.69 H new ATOM 0 HD11 LEU A 46 11.117 -2.007 -9.787 1.00 1.46 H new ATOM 0 HD12 LEU A 46 12.022 -0.732 -8.937 1.00 1.46 H new ATOM 0 HD13 LEU A 46 11.684 -2.277 -8.121 1.00 1.46 H new ATOM 0 HD21 LEU A 46 8.828 -2.478 -9.288 1.00 0.88 H new ATOM 0 HD22 LEU A 46 9.150 -2.820 -7.571 1.00 0.88 H new ATOM 0 HD23 LEU A 46 7.944 -1.592 -8.023 1.00 0.88 H new ATOM 557 N GLU A 47 12.419 -1.679 -5.089 1.00 0.36 N ATOM 558 CA GLU A 47 13.630 -2.488 -4.871 1.00 0.51 C ATOM 559 C GLU A 47 13.553 -3.476 -3.694 1.00 0.54 C ATOM 560 O GLU A 47 14.467 -4.287 -3.505 1.00 0.73 O ATOM 561 CB GLU A 47 14.849 -1.570 -4.730 1.00 0.67 C ATOM 562 CG GLU A 47 15.331 -1.097 -6.103 1.00 1.14 C ATOM 563 CD GLU A 47 16.494 -0.114 -5.975 1.00 1.85 C ATOM 564 OE1 GLU A 47 17.429 -0.384 -5.181 1.00 2.53 O ATOM 565 OE2 GLU A 47 16.484 0.911 -6.698 1.00 2.92 O ATOM 0 H GLU A 47 12.545 -0.697 -4.842 1.00 0.36 H new ATOM 0 HA GLU A 47 13.726 -3.119 -5.755 1.00 0.51 H new ATOM 0 HB2 GLU A 47 14.593 -0.709 -4.113 1.00 0.67 H new ATOM 0 HB3 GLU A 47 15.653 -2.100 -4.220 1.00 0.67 H new ATOM 0 HG2 GLU A 47 15.642 -1.956 -6.697 1.00 1.14 H new ATOM 0 HG3 GLU A 47 14.507 -0.622 -6.636 1.00 1.14 H new ATOM 572 N ASP A 48 12.482 -3.428 -2.901 1.00 0.43 N ATOM 573 CA ASP A 48 12.130 -4.347 -1.837 1.00 0.37 C ATOM 574 C ASP A 48 10.752 -5.009 -2.065 1.00 0.28 C ATOM 575 O ASP A 48 10.255 -5.712 -1.179 1.00 0.46 O ATOM 576 CB ASP A 48 12.155 -3.495 -0.571 1.00 0.61 C ATOM 577 CG ASP A 48 13.579 -3.250 -0.077 1.00 1.78 C ATOM 578 OD1 ASP A 48 14.167 -4.143 0.570 1.00 2.13 O ATOM 579 OD2 ASP A 48 14.139 -2.155 -0.310 1.00 2.98 O ATOM 0 H ASP A 48 11.790 -2.685 -3.000 1.00 0.43 H new ATOM 0 HA ASP A 48 12.824 -5.186 -1.780 1.00 0.37 H new ATOM 0 HB2 ASP A 48 11.669 -2.539 -0.767 1.00 0.61 H new ATOM 0 HB3 ASP A 48 11.580 -3.990 0.211 1.00 0.61 H new ATOM 584 N GLN A 49 10.109 -4.733 -3.213 1.00 0.25 N ATOM 585 CA GLN A 49 8.703 -5.029 -3.543 1.00 0.27 C ATOM 586 C GLN A 49 7.728 -4.706 -2.388 1.00 0.26 C ATOM 587 O GLN A 49 6.861 -5.511 -2.035 1.00 0.38 O ATOM 588 CB GLN A 49 8.530 -6.456 -4.096 1.00 0.33 C ATOM 589 CG GLN A 49 9.560 -6.899 -5.156 1.00 0.44 C ATOM 590 CD GLN A 49 10.799 -7.587 -4.571 1.00 1.44 C ATOM 591 OE1 GLN A 49 10.742 -8.386 -3.640 1.00 1.83 O ATOM 592 NE2 GLN A 49 11.968 -7.330 -5.110 1.00 2.49 N ATOM 0 H GLN A 49 10.587 -4.268 -3.984 1.00 0.25 H new ATOM 0 HA GLN A 49 8.426 -4.349 -4.348 1.00 0.27 H new ATOM 0 HB2 GLN A 49 8.573 -7.156 -3.261 1.00 0.33 H new ATOM 0 HB3 GLN A 49 7.533 -6.538 -4.530 1.00 0.33 H new ATOM 0 HG2 GLN A 49 9.076 -7.579 -5.856 1.00 0.44 H new ATOM 0 HG3 GLN A 49 9.877 -6.026 -5.727 1.00 0.44 H new ATOM 0 HE21 GLN A 49 12.039 -6.670 -5.884 1.00 2.49 H new ATOM 0 HE22 GLN A 49 12.806 -7.791 -4.755 1.00 2.49 H new ATOM 601 N MET A 50 7.931 -3.564 -1.729 1.00 0.28 N ATOM 602 CA MET A 50 7.327 -3.212 -0.437 1.00 0.27 C ATOM 603 C MET A 50 6.617 -1.854 -0.496 1.00 0.27 C ATOM 604 O MET A 50 7.024 -0.969 -1.250 1.00 0.31 O ATOM 605 CB MET A 50 8.438 -3.216 0.626 1.00 0.42 C ATOM 606 CG MET A 50 7.998 -2.730 2.015 1.00 0.52 C ATOM 607 SD MET A 50 6.749 -3.680 2.912 1.00 1.82 S ATOM 608 CE MET A 50 7.434 -5.347 2.803 1.00 1.03 C ATOM 0 H MET A 50 8.541 -2.831 -2.091 1.00 0.28 H new ATOM 0 HA MET A 50 6.563 -3.945 -0.179 1.00 0.27 H new ATOM 0 HB2 MET A 50 8.831 -4.229 0.718 1.00 0.42 H new ATOM 0 HB3 MET A 50 9.257 -2.587 0.278 1.00 0.42 H new ATOM 0 HG2 MET A 50 8.887 -2.677 2.643 1.00 0.52 H new ATOM 0 HG3 MET A 50 7.624 -1.712 1.906 1.00 0.52 H new ATOM 0 HE1 MET A 50 7.242 -5.881 3.734 1.00 1.03 H new ATOM 0 HE2 MET A 50 6.965 -5.880 1.975 1.00 1.03 H new ATOM 0 HE3 MET A 50 8.509 -5.288 2.634 1.00 1.03 H new ATOM 618 N VAL A 51 5.584 -1.662 0.329 1.00 0.31 N ATOM 619 CA VAL A 51 4.771 -0.442 0.373 1.00 0.35 C ATOM 620 C VAL A 51 4.469 -0.013 1.812 1.00 0.34 C ATOM 621 O VAL A 51 3.839 -0.756 2.564 1.00 0.32 O ATOM 622 CB VAL A 51 3.439 -0.622 -0.392 1.00 0.40 C ATOM 623 CG1 VAL A 51 3.006 0.756 -0.887 1.00 0.63 C ATOM 624 CG2 VAL A 51 3.509 -1.530 -1.621 1.00 0.65 C ATOM 0 H VAL A 51 5.282 -2.367 1.001 1.00 0.31 H new ATOM 0 HA VAL A 51 5.359 0.338 -0.111 1.00 0.35 H new ATOM 0 HB VAL A 51 2.749 -1.093 0.308 1.00 0.40 H new ATOM 0 HG11 VAL A 51 2.067 0.668 -1.433 1.00 0.63 H new ATOM 0 HG12 VAL A 51 2.869 1.422 -0.035 1.00 0.63 H new ATOM 0 HG13 VAL A 51 3.772 1.163 -1.547 1.00 0.63 H new ATOM 0 HG21 VAL A 51 2.525 -1.590 -2.085 1.00 0.65 H new ATOM 0 HG22 VAL A 51 4.223 -1.121 -2.336 1.00 0.65 H new ATOM 0 HG23 VAL A 51 3.829 -2.527 -1.319 1.00 0.65 H new ATOM 634 N LEU A 52 4.873 1.207 2.177 1.00 0.44 N ATOM 635 CA LEU A 52 4.461 1.900 3.400 1.00 0.40 C ATOM 636 C LEU A 52 3.201 2.726 3.132 1.00 0.36 C ATOM 637 O LEU A 52 3.135 3.461 2.144 1.00 0.37 O ATOM 638 CB LEU A 52 5.569 2.826 3.935 1.00 0.42 C ATOM 639 CG LEU A 52 6.846 2.116 4.439 1.00 0.46 C ATOM 640 CD1 LEU A 52 7.862 1.796 3.340 1.00 0.98 C ATOM 641 CD2 LEU A 52 7.567 2.989 5.466 1.00 1.04 C ATOM 0 H LEU A 52 5.518 1.758 1.610 1.00 0.44 H new ATOM 0 HA LEU A 52 4.259 1.140 4.154 1.00 0.40 H new ATOM 0 HB2 LEU A 52 5.850 3.522 3.144 1.00 0.42 H new ATOM 0 HB3 LEU A 52 5.159 3.420 4.752 1.00 0.42 H new ATOM 0 HG LEU A 52 6.492 1.177 4.865 1.00 0.46 H new ATOM 0 HD11 LEU A 52 8.728 1.299 3.778 1.00 0.98 H new ATOM 0 HD12 LEU A 52 7.403 1.140 2.600 1.00 0.98 H new ATOM 0 HD13 LEU A 52 8.180 2.721 2.858 1.00 0.98 H new ATOM 0 HD21 LEU A 52 8.465 2.477 5.813 1.00 1.04 H new ATOM 0 HD22 LEU A 52 7.845 3.937 5.006 1.00 1.04 H new ATOM 0 HD23 LEU A 52 6.906 3.176 6.312 1.00 1.04 H new ATOM 653 N VAL A 53 2.221 2.635 4.029 1.00 0.32 N ATOM 654 CA VAL A 53 0.930 3.323 3.939 1.00 0.28 C ATOM 655 C VAL A 53 0.597 3.967 5.286 1.00 0.22 C ATOM 656 O VAL A 53 0.257 3.277 6.242 1.00 0.21 O ATOM 657 CB VAL A 53 -0.174 2.345 3.483 1.00 0.32 C ATOM 658 CG1 VAL A 53 -1.493 3.097 3.262 1.00 0.32 C ATOM 659 CG2 VAL A 53 0.177 1.624 2.172 1.00 0.37 C ATOM 0 H VAL A 53 2.305 2.061 4.868 1.00 0.32 H new ATOM 0 HA VAL A 53 0.990 4.113 3.190 1.00 0.28 H new ATOM 0 HB VAL A 53 -0.269 1.604 4.277 1.00 0.32 H new ATOM 0 HG11 VAL A 53 -2.263 2.395 2.941 1.00 0.32 H new ATOM 0 HG12 VAL A 53 -1.801 3.572 4.193 1.00 0.32 H new ATOM 0 HG13 VAL A 53 -1.353 3.859 2.495 1.00 0.32 H new ATOM 0 HG21 VAL A 53 -0.635 0.949 1.899 1.00 0.37 H new ATOM 0 HG22 VAL A 53 0.320 2.359 1.380 1.00 0.37 H new ATOM 0 HG23 VAL A 53 1.095 1.052 2.306 1.00 0.37 H new ATOM 669 N HIS A 54 0.702 5.291 5.359 1.00 0.22 N ATOM 670 CA HIS A 54 0.346 6.125 6.512 1.00 0.24 C ATOM 671 C HIS A 54 -1.188 6.367 6.531 1.00 0.22 C ATOM 672 O HIS A 54 -1.695 7.197 5.770 1.00 0.27 O ATOM 673 CB HIS A 54 1.145 7.450 6.420 1.00 0.35 C ATOM 674 CG HIS A 54 2.655 7.352 6.256 1.00 0.48 C ATOM 675 ND1 HIS A 54 3.586 7.884 7.120 1.00 0.85 N ATOM 676 CD2 HIS A 54 3.367 6.857 5.189 1.00 0.41 C ATOM 677 CE1 HIS A 54 4.813 7.692 6.607 1.00 0.97 C ATOM 678 NE2 HIS A 54 4.734 7.082 5.411 1.00 0.70 N ATOM 0 H HIS A 54 1.055 5.843 4.578 1.00 0.22 H new ATOM 0 HA HIS A 54 0.604 5.629 7.448 1.00 0.24 H new ATOM 0 HB2 HIS A 54 0.752 8.022 5.579 1.00 0.35 H new ATOM 0 HB3 HIS A 54 0.942 8.028 7.321 1.00 0.35 H new ATOM 0 HD2 HIS A 54 2.943 6.374 4.321 1.00 0.41 H new ATOM 0 HE1 HIS A 54 5.734 7.986 7.088 1.00 0.97 H new ATOM 0 HE2 HIS A 54 5.507 6.834 4.794 1.00 0.70 H new ATOM 686 N THR A 55 -1.958 5.629 7.349 1.00 0.22 N ATOM 687 CA THR A 55 -3.440 5.584 7.286 1.00 0.21 C ATOM 688 C THR A 55 -4.140 5.278 8.628 1.00 0.25 C ATOM 689 O THR A 55 -3.574 4.616 9.499 1.00 0.31 O ATOM 690 CB THR A 55 -3.880 4.544 6.237 1.00 0.23 C ATOM 691 OG1 THR A 55 -5.278 4.523 6.089 1.00 0.29 O ATOM 692 CG2 THR A 55 -3.467 3.103 6.549 1.00 0.29 C ATOM 0 H THR A 55 -1.570 5.038 8.084 1.00 0.22 H new ATOM 0 HA THR A 55 -3.751 6.592 7.010 1.00 0.21 H new ATOM 0 HB THR A 55 -3.369 4.871 5.331 1.00 0.23 H new ATOM 0 HG1 THR A 55 -5.615 5.442 6.030 1.00 0.29 H new ATOM 0 HG21 THR A 55 -3.820 2.444 5.756 1.00 0.29 H new ATOM 0 HG22 THR A 55 -2.381 3.042 6.615 1.00 0.29 H new ATOM 0 HG23 THR A 55 -3.906 2.796 7.498 1.00 0.29 H new ATOM 700 N THR A 56 -5.397 5.725 8.792 1.00 0.26 N ATOM 701 CA THR A 56 -6.275 5.358 9.936 1.00 0.32 C ATOM 702 C THR A 56 -7.062 4.052 9.711 1.00 0.34 C ATOM 703 O THR A 56 -7.679 3.530 10.643 1.00 0.44 O ATOM 704 CB THR A 56 -7.240 6.497 10.357 1.00 0.42 C ATOM 705 OG1 THR A 56 -8.335 6.588 9.469 1.00 0.56 O ATOM 706 CG2 THR A 56 -6.593 7.880 10.378 1.00 0.46 C ATOM 0 H THR A 56 -5.845 6.359 8.131 1.00 0.26 H new ATOM 0 HA THR A 56 -5.581 5.187 10.759 1.00 0.32 H new ATOM 0 HB THR A 56 -7.549 6.228 11.367 1.00 0.42 H new ATOM 0 HG1 THR A 56 -8.930 7.312 9.756 1.00 0.56 H new ATOM 0 HG21 THR A 56 -7.331 8.622 10.682 1.00 0.46 H new ATOM 0 HG22 THR A 56 -5.763 7.883 11.085 1.00 0.46 H new ATOM 0 HG23 THR A 56 -6.222 8.123 9.382 1.00 0.46 H new ATOM 714 N LEU A 57 -7.027 3.506 8.488 1.00 0.32 N ATOM 715 CA LEU A 57 -7.762 2.310 8.053 1.00 0.35 C ATOM 716 C LEU A 57 -7.210 1.007 8.660 1.00 0.38 C ATOM 717 O LEU A 57 -6.025 0.955 9.012 1.00 0.43 O ATOM 718 CB LEU A 57 -7.722 2.238 6.512 1.00 0.34 C ATOM 719 CG LEU A 57 -8.424 3.407 5.797 1.00 0.36 C ATOM 720 CD1 LEU A 57 -8.344 3.177 4.289 1.00 0.43 C ATOM 721 CD2 LEU A 57 -9.887 3.557 6.214 1.00 0.50 C ATOM 0 H LEU A 57 -6.459 3.904 7.740 1.00 0.32 H new ATOM 0 HA LEU A 57 -8.788 2.402 8.411 1.00 0.35 H new ATOM 0 HB2 LEU A 57 -6.681 2.205 6.190 1.00 0.34 H new ATOM 0 HB3 LEU A 57 -8.184 1.304 6.193 1.00 0.34 H new ATOM 0 HG LEU A 57 -7.915 4.328 6.081 1.00 0.36 H new ATOM 0 HD11 LEU A 57 -8.838 3.998 3.769 1.00 0.43 H new ATOM 0 HD12 LEU A 57 -7.299 3.130 3.983 1.00 0.43 H new ATOM 0 HD13 LEU A 57 -8.838 2.239 4.037 1.00 0.43 H new ATOM 0 HD21 LEU A 57 -10.333 4.396 5.680 1.00 0.50 H new ATOM 0 HD22 LEU A 57 -10.430 2.643 5.973 1.00 0.50 H new ATOM 0 HD23 LEU A 57 -9.943 3.739 7.287 1.00 0.50 H new ATOM 733 N PRO A 58 -8.021 -0.067 8.737 1.00 0.37 N ATOM 734 CA PRO A 58 -7.578 -1.377 9.213 1.00 0.40 C ATOM 735 C PRO A 58 -6.853 -2.110 8.078 1.00 0.31 C ATOM 736 O PRO A 58 -7.250 -1.980 6.919 1.00 0.30 O ATOM 737 CB PRO A 58 -8.859 -2.125 9.635 1.00 0.50 C ATOM 738 CG PRO A 58 -9.988 -1.100 9.458 1.00 0.51 C ATOM 739 CD PRO A 58 -9.422 -0.204 8.364 1.00 0.39 C ATOM 0 HA PRO A 58 -6.881 -1.306 10.048 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -9.024 -3.007 9.016 1.00 0.50 H new ATOM 0 HB3 PRO A 58 -8.795 -2.468 10.668 1.00 0.50 H new ATOM 0 HG2 PRO A 58 -10.925 -1.570 9.158 1.00 0.51 H new ATOM 0 HG3 PRO A 58 -10.188 -0.548 10.377 1.00 0.51 H new ATOM 0 HD2 PRO A 58 -9.534 -0.654 7.377 1.00 0.39 H new ATOM 0 HD3 PRO A 58 -9.927 0.762 8.333 1.00 0.39 H new ATOM 747 N SER A 59 -5.847 -2.944 8.360 1.00 0.30 N ATOM 748 CA SER A 59 -5.117 -3.663 7.294 1.00 0.30 C ATOM 749 C SER A 59 -6.010 -4.534 6.400 1.00 0.29 C ATOM 750 O SER A 59 -5.722 -4.634 5.212 1.00 0.38 O ATOM 751 CB SER A 59 -3.934 -4.486 7.820 1.00 0.45 C ATOM 752 OG SER A 59 -4.024 -4.751 9.213 1.00 0.85 O ATOM 0 H SER A 59 -5.517 -3.141 9.305 1.00 0.30 H new ATOM 0 HA SER A 59 -4.722 -2.862 6.670 1.00 0.30 H new ATOM 0 HB2 SER A 59 -3.884 -5.430 7.278 1.00 0.45 H new ATOM 0 HB3 SER A 59 -3.006 -3.952 7.616 1.00 0.45 H new ATOM 0 HG SER A 59 -3.248 -5.279 9.496 1.00 0.85 H new ATOM 758 N GLN A 60 -7.134 -5.059 6.902 1.00 0.30 N ATOM 759 CA GLN A 60 -8.157 -5.746 6.096 1.00 0.39 C ATOM 760 C GLN A 60 -8.699 -4.869 4.946 1.00 0.40 C ATOM 761 O GLN A 60 -8.998 -5.377 3.864 1.00 0.54 O ATOM 762 CB GLN A 60 -9.344 -6.159 6.989 1.00 0.51 C ATOM 763 CG GLN A 60 -9.089 -7.325 7.961 1.00 0.78 C ATOM 764 CD GLN A 60 -8.396 -6.947 9.255 1.00 1.33 C ATOM 765 OE1 GLN A 60 -7.198 -6.697 9.310 1.00 2.83 O ATOM 766 NE2 GLN A 60 -9.104 -6.917 10.353 1.00 1.65 N ATOM 0 H GLN A 60 -7.364 -5.019 7.895 1.00 0.30 H new ATOM 0 HA GLN A 60 -7.671 -6.619 5.661 1.00 0.39 H new ATOM 0 HB2 GLN A 60 -9.654 -5.290 7.570 1.00 0.51 H new ATOM 0 HB3 GLN A 60 -10.181 -6.427 6.344 1.00 0.51 H new ATOM 0 HG2 GLN A 60 -10.044 -7.792 8.202 1.00 0.78 H new ATOM 0 HG3 GLN A 60 -8.487 -8.077 7.451 1.00 0.78 H new ATOM 0 HE21 GLN A 60 -10.102 -7.123 10.322 1.00 1.65 H new ATOM 0 HE22 GLN A 60 -8.658 -6.687 11.241 1.00 1.65 H new ATOM 775 N GLU A 61 -8.804 -3.553 5.161 1.00 0.36 N ATOM 776 CA GLU A 61 -9.281 -2.586 4.169 1.00 0.43 C ATOM 777 C GLU A 61 -8.171 -2.223 3.175 1.00 0.40 C ATOM 778 O GLU A 61 -8.406 -2.219 1.966 1.00 0.48 O ATOM 779 CB GLU A 61 -9.830 -1.335 4.888 1.00 0.52 C ATOM 780 CG GLU A 61 -10.663 -0.457 3.950 1.00 0.91 C ATOM 781 CD GLU A 61 -11.543 0.605 4.629 1.00 1.49 C ATOM 782 OE1 GLU A 61 -12.159 0.306 5.682 1.00 2.02 O ATOM 783 OE2 GLU A 61 -11.762 1.688 4.027 1.00 2.63 O ATOM 0 H GLU A 61 -8.554 -3.122 6.051 1.00 0.36 H new ATOM 0 HA GLU A 61 -10.089 -3.037 3.593 1.00 0.43 H new ATOM 0 HB2 GLU A 61 -10.442 -1.643 5.736 1.00 0.52 H new ATOM 0 HB3 GLU A 61 -9.000 -0.753 5.288 1.00 0.52 H new ATOM 0 HG2 GLU A 61 -9.987 0.047 3.260 1.00 0.91 H new ATOM 0 HG3 GLU A 61 -11.305 -1.104 3.352 1.00 0.91 H new ATOM 790 N VAL A 62 -6.947 -1.982 3.669 1.00 0.30 N ATOM 791 CA VAL A 62 -5.791 -1.603 2.856 1.00 0.27 C ATOM 792 C VAL A 62 -5.334 -2.763 1.970 1.00 0.24 C ATOM 793 O VAL A 62 -5.029 -2.542 0.804 1.00 0.25 O ATOM 794 CB VAL A 62 -4.611 -1.136 3.736 1.00 0.25 C ATOM 795 CG1 VAL A 62 -3.635 -0.309 2.901 1.00 0.29 C ATOM 796 CG2 VAL A 62 -4.988 -0.271 4.942 1.00 0.36 C ATOM 0 H VAL A 62 -6.733 -2.047 4.664 1.00 0.30 H new ATOM 0 HA VAL A 62 -6.107 -0.774 2.223 1.00 0.27 H new ATOM 0 HB VAL A 62 -4.182 -2.064 4.115 1.00 0.25 H new ATOM 0 HG11 VAL A 62 -2.805 0.017 3.528 1.00 0.29 H new ATOM 0 HG12 VAL A 62 -3.253 -0.916 2.080 1.00 0.29 H new ATOM 0 HG13 VAL A 62 -4.150 0.563 2.498 1.00 0.29 H new ATOM 0 HG21 VAL A 62 -4.086 0.001 5.491 1.00 0.36 H new ATOM 0 HG22 VAL A 62 -5.491 0.633 4.598 1.00 0.36 H new ATOM 0 HG23 VAL A 62 -5.656 -0.831 5.597 1.00 0.36 H new ATOM 806 N GLN A 63 -5.367 -4.002 2.473 1.00 0.24 N ATOM 807 CA GLN A 63 -5.164 -5.236 1.701 1.00 0.29 C ATOM 808 C GLN A 63 -6.018 -5.236 0.430 1.00 0.33 C ATOM 809 O GLN A 63 -5.476 -5.426 -0.651 1.00 0.35 O ATOM 810 CB GLN A 63 -5.493 -6.421 2.621 1.00 0.46 C ATOM 811 CG GLN A 63 -5.447 -7.792 1.931 1.00 0.73 C ATOM 812 CD GLN A 63 -5.954 -8.918 2.830 1.00 1.09 C ATOM 813 OE1 GLN A 63 -6.411 -8.751 3.955 1.00 1.79 O ATOM 814 NE2 GLN A 63 -5.890 -10.140 2.376 1.00 1.39 N ATOM 0 H GLN A 63 -5.542 -4.181 3.462 1.00 0.24 H new ATOM 0 HA GLN A 63 -4.129 -5.313 1.366 1.00 0.29 H new ATOM 0 HB2 GLN A 63 -4.791 -6.424 3.455 1.00 0.46 H new ATOM 0 HB3 GLN A 63 -6.487 -6.273 3.042 1.00 0.46 H new ATOM 0 HG2 GLN A 63 -6.049 -7.758 1.023 1.00 0.73 H new ATOM 0 HG3 GLN A 63 -4.423 -8.008 1.627 1.00 0.73 H new ATOM 0 HE21 GLN A 63 -5.516 -10.319 1.444 1.00 1.39 H new ATOM 0 HE22 GLN A 63 -6.214 -10.916 2.953 1.00 1.39 H new ATOM 823 N ALA A 64 -7.318 -4.947 0.525 1.00 0.39 N ATOM 824 CA ALA A 64 -8.222 -4.962 -0.620 1.00 0.48 C ATOM 825 C ALA A 64 -8.086 -3.694 -1.492 1.00 0.49 C ATOM 826 O ALA A 64 -8.432 -3.728 -2.676 1.00 0.59 O ATOM 827 CB ALA A 64 -9.642 -5.166 -0.086 1.00 0.53 C ATOM 0 H ALA A 64 -7.772 -4.695 1.403 1.00 0.39 H new ATOM 0 HA ALA A 64 -7.963 -5.782 -1.289 1.00 0.48 H new ATOM 0 HB1 ALA A 64 -10.345 -5.182 -0.919 1.00 0.53 H new ATOM 0 HB2 ALA A 64 -9.696 -6.112 0.453 1.00 0.53 H new ATOM 0 HB3 ALA A 64 -9.898 -4.349 0.589 1.00 0.53 H new ATOM 833 N LEU A 65 -7.557 -2.590 -0.945 1.00 0.43 N ATOM 834 CA LEU A 65 -7.179 -1.402 -1.712 1.00 0.46 C ATOM 835 C LEU A 65 -5.935 -1.643 -2.592 1.00 0.40 C ATOM 836 O LEU A 65 -5.904 -1.280 -3.770 1.00 0.45 O ATOM 837 CB LEU A 65 -6.983 -0.210 -0.765 1.00 0.50 C ATOM 838 CG LEU A 65 -8.298 0.402 -0.246 1.00 0.62 C ATOM 839 CD1 LEU A 65 -7.994 1.402 0.864 1.00 0.69 C ATOM 840 CD2 LEU A 65 -9.075 1.135 -1.342 1.00 0.70 C ATOM 0 H LEU A 65 -7.379 -2.499 0.055 1.00 0.43 H new ATOM 0 HA LEU A 65 -7.993 -1.172 -2.399 1.00 0.46 H new ATOM 0 HB2 LEU A 65 -6.383 -0.531 0.086 1.00 0.50 H new ATOM 0 HB3 LEU A 65 -6.414 0.562 -1.283 1.00 0.50 H new ATOM 0 HG LEU A 65 -8.909 -0.424 0.118 1.00 0.62 H new ATOM 0 HD11 LEU A 65 -8.926 1.834 1.230 1.00 0.69 H new ATOM 0 HD12 LEU A 65 -7.484 0.894 1.682 1.00 0.69 H new ATOM 0 HD13 LEU A 65 -7.355 2.195 0.475 1.00 0.69 H new ATOM 0 HD21 LEU A 65 -9.993 1.547 -0.923 1.00 0.70 H new ATOM 0 HD22 LEU A 65 -8.464 1.944 -1.743 1.00 0.70 H new ATOM 0 HD23 LEU A 65 -9.322 0.437 -2.142 1.00 0.70 H new ATOM 852 N LEU A 66 -4.923 -2.302 -2.023 1.00 0.33 N ATOM 853 CA LEU A 66 -3.681 -2.719 -2.680 1.00 0.34 C ATOM 854 C LEU A 66 -3.947 -3.814 -3.728 1.00 0.37 C ATOM 855 O LEU A 66 -3.590 -3.645 -4.896 1.00 0.46 O ATOM 856 CB LEU A 66 -2.697 -3.201 -1.596 1.00 0.30 C ATOM 857 CG LEU A 66 -2.179 -2.093 -0.658 1.00 0.30 C ATOM 858 CD1 LEU A 66 -1.705 -2.697 0.664 1.00 0.26 C ATOM 859 CD2 LEU A 66 -1.008 -1.338 -1.293 1.00 0.38 C ATOM 0 H LEU A 66 -4.949 -2.574 -1.040 1.00 0.33 H new ATOM 0 HA LEU A 66 -3.246 -1.876 -3.216 1.00 0.34 H new ATOM 0 HB2 LEU A 66 -3.186 -3.967 -0.995 1.00 0.30 H new ATOM 0 HB3 LEU A 66 -1.844 -3.674 -2.083 1.00 0.30 H new ATOM 0 HG LEU A 66 -3.002 -1.401 -0.481 1.00 0.30 H new ATOM 0 HD11 LEU A 66 -1.342 -1.903 1.317 1.00 0.26 H new ATOM 0 HD12 LEU A 66 -2.535 -3.213 1.147 1.00 0.26 H new ATOM 0 HD13 LEU A 66 -0.900 -3.406 0.472 1.00 0.26 H new ATOM 0 HD21 LEU A 66 -0.662 -0.562 -0.610 1.00 0.38 H new ATOM 0 HD22 LEU A 66 -0.193 -2.033 -1.495 1.00 0.38 H new ATOM 0 HD23 LEU A 66 -1.334 -0.880 -2.227 1.00 0.38 H new ATOM 871 N GLU A 67 -4.672 -4.870 -3.346 1.00 0.39 N ATOM 872 CA GLU A 67 -5.197 -5.922 -4.238 1.00 0.44 C ATOM 873 C GLU A 67 -6.074 -5.362 -5.374 1.00 0.47 C ATOM 874 O GLU A 67 -6.159 -5.955 -6.452 1.00 0.53 O ATOM 875 CB GLU A 67 -6.039 -6.912 -3.406 1.00 0.60 C ATOM 876 CG GLU A 67 -5.211 -7.948 -2.625 1.00 0.48 C ATOM 877 CD GLU A 67 -6.050 -9.135 -2.113 1.00 1.11 C ATOM 878 OE1 GLU A 67 -7.259 -8.985 -1.812 1.00 2.29 O ATOM 879 OE2 GLU A 67 -5.519 -10.270 -2.029 1.00 1.77 O ATOM 0 H GLU A 67 -4.922 -5.026 -2.370 1.00 0.39 H new ATOM 0 HA GLU A 67 -4.339 -6.413 -4.697 1.00 0.44 H new ATOM 0 HB2 GLU A 67 -6.651 -6.348 -2.702 1.00 0.60 H new ATOM 0 HB3 GLU A 67 -6.723 -7.438 -4.072 1.00 0.60 H new ATOM 0 HG2 GLU A 67 -4.414 -8.325 -3.266 1.00 0.48 H new ATOM 0 HG3 GLU A 67 -4.733 -7.457 -1.777 1.00 0.48 H new ATOM 886 N GLY A 68 -6.670 -4.183 -5.168 1.00 0.55 N ATOM 887 CA GLY A 68 -7.495 -3.463 -6.143 1.00 0.61 C ATOM 888 C GLY A 68 -6.691 -2.950 -7.339 1.00 0.49 C ATOM 889 O GLY A 68 -7.264 -2.549 -8.356 1.00 0.60 O ATOM 0 H GLY A 68 -6.587 -3.685 -4.282 1.00 0.55 H new ATOM 0 HA2 GLY A 68 -8.286 -4.123 -6.499 1.00 0.61 H new ATOM 0 HA3 GLY A 68 -7.980 -2.621 -5.650 1.00 0.61 H new ATOM 893 N THR A 69 -5.361 -3.010 -7.246 1.00 0.38 N ATOM 894 CA THR A 69 -4.415 -2.674 -8.314 1.00 0.38 C ATOM 895 C THR A 69 -4.064 -3.864 -9.218 1.00 0.42 C ATOM 896 O THR A 69 -3.109 -3.790 -9.987 1.00 0.58 O ATOM 897 CB THR A 69 -3.149 -1.965 -7.789 1.00 0.48 C ATOM 898 OG1 THR A 69 -3.281 -1.445 -6.482 1.00 2.12 O ATOM 899 CG2 THR A 69 -2.866 -0.790 -8.700 1.00 2.15 C ATOM 0 H THR A 69 -4.894 -3.306 -6.389 1.00 0.38 H new ATOM 0 HA THR A 69 -4.945 -1.959 -8.944 1.00 0.38 H new ATOM 0 HB THR A 69 -2.356 -2.712 -7.770 1.00 0.48 H new ATOM 0 HG1 THR A 69 -3.319 -2.183 -5.839 1.00 2.12 H new ATOM 0 HG21 THR A 69 -1.974 -0.268 -8.354 1.00 2.15 H new ATOM 0 HG22 THR A 69 -2.705 -1.148 -9.717 1.00 2.15 H new ATOM 0 HG23 THR A 69 -3.715 -0.107 -8.687 1.00 2.15 H new ATOM 907 N GLY A 70 -4.799 -4.978 -9.128 1.00 0.44 N ATOM 908 CA GLY A 70 -4.717 -6.102 -10.076 1.00 0.52 C ATOM 909 C GLY A 70 -3.447 -6.948 -9.941 1.00 0.57 C ATOM 910 O GLY A 70 -2.986 -7.545 -10.915 1.00 0.79 O ATOM 0 H GLY A 70 -5.479 -5.129 -8.383 1.00 0.44 H new ATOM 0 HA2 GLY A 70 -5.585 -6.746 -9.935 1.00 0.52 H new ATOM 0 HA3 GLY A 70 -4.773 -5.710 -11.092 1.00 0.52 H new ATOM 914 N ARG A 71 -2.836 -6.923 -8.756 1.00 0.55 N ATOM 915 CA ARG A 71 -1.669 -7.699 -8.329 1.00 0.56 C ATOM 916 C ARG A 71 -1.771 -7.983 -6.839 1.00 0.72 C ATOM 917 O ARG A 71 -2.485 -7.289 -6.115 1.00 1.08 O ATOM 918 CB ARG A 71 -0.366 -6.964 -8.676 1.00 0.88 C ATOM 919 CG ARG A 71 -0.391 -5.467 -8.303 1.00 0.92 C ATOM 920 CD ARG A 71 0.832 -4.681 -8.784 1.00 0.87 C ATOM 921 NE ARG A 71 1.185 -4.942 -10.197 1.00 1.16 N ATOM 922 CZ ARG A 71 0.497 -4.690 -11.297 1.00 1.25 C ATOM 923 NH1 ARG A 71 -0.653 -4.084 -11.338 1.00 2.79 N ATOM 924 NH2 ARG A 71 0.959 -5.078 -12.440 1.00 1.64 N ATOM 0 H ARG A 71 -3.170 -6.312 -8.011 1.00 0.55 H new ATOM 0 HA ARG A 71 -1.651 -8.649 -8.864 1.00 0.56 H new ATOM 0 HB2 ARG A 71 0.464 -7.446 -8.159 1.00 0.88 H new ATOM 0 HB3 ARG A 71 -0.176 -7.062 -9.745 1.00 0.88 H new ATOM 0 HG2 ARG A 71 -1.289 -5.014 -8.724 1.00 0.92 H new ATOM 0 HG3 ARG A 71 -0.465 -5.375 -7.219 1.00 0.92 H new ATOM 0 HD2 ARG A 71 0.642 -3.615 -8.657 1.00 0.87 H new ATOM 0 HD3 ARG A 71 1.685 -4.930 -8.153 1.00 0.87 H new ATOM 0 HE ARG A 71 2.094 -5.381 -10.344 1.00 1.16 H new ATOM 0 HH11 ARG A 71 -1.091 -3.763 -10.475 1.00 2.79 H new ATOM 0 HH12 ARG A 71 -1.117 -3.930 -12.233 1.00 2.79 H new ATOM 0 HH21 ARG A 71 1.849 -5.575 -12.488 1.00 1.64 H new ATOM 0 HH22 ARG A 71 0.434 -4.887 -13.294 1.00 1.64 H new ATOM 938 N GLN A 72 -1.046 -8.994 -6.387 1.00 0.54 N ATOM 939 CA GLN A 72 -1.100 -9.453 -5.011 1.00 0.56 C ATOM 940 C GLN A 72 -0.457 -8.454 -4.047 1.00 0.50 C ATOM 941 O GLN A 72 0.509 -7.761 -4.366 1.00 0.46 O ATOM 942 CB GLN A 72 -0.496 -10.861 -4.904 1.00 0.58 C ATOM 943 CG GLN A 72 -0.869 -11.635 -3.631 1.00 1.18 C ATOM 944 CD GLN A 72 -2.373 -11.675 -3.407 1.00 2.44 C ATOM 945 OE1 GLN A 72 -3.138 -12.176 -4.223 1.00 3.66 O ATOM 946 NE2 GLN A 72 -2.858 -11.057 -2.355 1.00 3.05 N ATOM 0 H GLN A 72 -0.398 -9.523 -6.971 1.00 0.54 H new ATOM 0 HA GLN A 72 -2.145 -9.517 -4.706 1.00 0.56 H new ATOM 0 HB2 GLN A 72 -0.813 -11.442 -5.770 1.00 0.58 H new ATOM 0 HB3 GLN A 72 0.590 -10.779 -4.955 1.00 0.58 H new ATOM 0 HG2 GLN A 72 -0.486 -12.653 -3.701 1.00 1.18 H new ATOM 0 HG3 GLN A 72 -0.387 -11.171 -2.771 1.00 1.18 H new ATOM 0 HE21 GLN A 72 -2.226 -10.638 -1.673 1.00 3.05 H new ATOM 0 HE22 GLN A 72 -3.867 -10.996 -2.220 1.00 3.05 H new ATOM 955 N ALA A 73 -1.021 -8.455 -2.848 1.00 0.54 N ATOM 956 CA ALA A 73 -0.547 -7.797 -1.635 1.00 0.41 C ATOM 957 C ALA A 73 -0.581 -8.808 -0.482 1.00 0.47 C ATOM 958 O ALA A 73 -1.548 -9.562 -0.347 1.00 0.67 O ATOM 959 CB ALA A 73 -1.435 -6.579 -1.357 1.00 0.45 C ATOM 0 H ALA A 73 -1.894 -8.957 -2.683 1.00 0.54 H new ATOM 0 HA ALA A 73 0.479 -7.448 -1.748 1.00 0.41 H new ATOM 0 HB1 ALA A 73 -1.092 -6.077 -0.452 1.00 0.45 H new ATOM 0 HB2 ALA A 73 -1.379 -5.888 -2.198 1.00 0.45 H new ATOM 0 HB3 ALA A 73 -2.467 -6.904 -1.222 1.00 0.45 H new ATOM 965 N VAL A 74 0.461 -8.828 0.342 1.00 0.42 N ATOM 966 CA VAL A 74 0.597 -9.669 1.535 1.00 0.52 C ATOM 967 C VAL A 74 1.213 -8.821 2.633 1.00 0.48 C ATOM 968 O VAL A 74 2.294 -8.254 2.489 1.00 0.45 O ATOM 969 CB VAL A 74 1.473 -10.903 1.265 1.00 0.62 C ATOM 970 CG1 VAL A 74 1.806 -11.687 2.544 1.00 0.73 C ATOM 971 CG2 VAL A 74 0.773 -11.870 0.306 1.00 0.72 C ATOM 0 H VAL A 74 1.275 -8.231 0.193 1.00 0.42 H new ATOM 0 HA VAL A 74 -0.386 -10.036 1.831 1.00 0.52 H new ATOM 0 HB VAL A 74 2.395 -10.517 0.831 1.00 0.62 H new ATOM 0 HG11 VAL A 74 2.426 -12.547 2.292 1.00 0.73 H new ATOM 0 HG12 VAL A 74 2.345 -11.041 3.237 1.00 0.73 H new ATOM 0 HG13 VAL A 74 0.883 -12.030 3.011 1.00 0.73 H new ATOM 0 HG21 VAL A 74 1.413 -12.735 0.130 1.00 0.72 H new ATOM 0 HG22 VAL A 74 -0.169 -12.198 0.744 1.00 0.72 H new ATOM 0 HG23 VAL A 74 0.577 -11.366 -0.640 1.00 0.72 H new ATOM 981 N LEU A 75 0.520 -8.713 3.755 1.00 0.53 N ATOM 982 CA LEU A 75 1.004 -7.933 4.879 1.00 0.53 C ATOM 983 C LEU A 75 2.152 -8.620 5.619 1.00 0.58 C ATOM 984 O LEU A 75 2.107 -9.815 5.923 1.00 0.67 O ATOM 985 CB LEU A 75 -0.154 -7.574 5.780 1.00 0.60 C ATOM 986 CG LEU A 75 0.249 -6.579 6.882 1.00 0.64 C ATOM 987 CD1 LEU A 75 1.110 -5.388 6.448 1.00 1.12 C ATOM 988 CD2 LEU A 75 -1.020 -5.886 7.248 1.00 1.05 C ATOM 0 H LEU A 75 -0.384 -9.159 3.910 1.00 0.53 H new ATOM 0 HA LEU A 75 1.436 -7.007 4.501 1.00 0.53 H new ATOM 0 HB2 LEU A 75 -0.957 -7.144 5.182 1.00 0.60 H new ATOM 0 HB3 LEU A 75 -0.549 -8.480 6.239 1.00 0.60 H new ATOM 0 HG LEU A 75 0.791 -7.165 7.624 1.00 0.64 H new ATOM 0 HD11 LEU A 75 1.327 -4.761 7.313 1.00 1.12 H new ATOM 0 HD12 LEU A 75 2.044 -5.751 6.020 1.00 1.12 H new ATOM 0 HD13 LEU A 75 0.572 -4.803 5.702 1.00 1.12 H new ATOM 0 HD21 LEU A 75 -0.822 -5.155 8.032 1.00 1.05 H new ATOM 0 HD22 LEU A 75 -1.423 -5.378 6.372 1.00 1.05 H new ATOM 0 HD23 LEU A 75 -1.743 -6.618 7.608 1.00 1.05 H new ATOM 1000 N LYS A 76 3.158 -7.810 5.947 1.00 0.52 N ATOM 1001 CA LYS A 76 4.362 -8.218 6.679 1.00 0.55 C ATOM 1002 C LYS A 76 4.390 -7.737 8.136 1.00 0.57 C ATOM 1003 O LYS A 76 4.879 -8.460 9.003 1.00 0.64 O ATOM 1004 CB LYS A 76 5.609 -7.800 5.885 1.00 0.56 C ATOM 1005 CG LYS A 76 5.658 -8.335 4.440 1.00 0.57 C ATOM 1006 CD LYS A 76 5.624 -9.858 4.265 1.00 0.72 C ATOM 1007 CE LYS A 76 6.961 -10.497 4.662 1.00 1.15 C ATOM 1008 NZ LYS A 76 6.947 -11.950 4.397 1.00 1.56 N ATOM 0 H LYS A 76 3.160 -6.819 5.704 1.00 0.52 H new ATOM 0 HA LYS A 76 4.350 -9.305 6.763 1.00 0.55 H new ATOM 0 HB2 LYS A 76 5.658 -6.711 5.857 1.00 0.56 H new ATOM 0 HB3 LYS A 76 6.495 -8.146 6.417 1.00 0.56 H new ATOM 0 HG2 LYS A 76 4.816 -7.911 3.892 1.00 0.57 H new ATOM 0 HG3 LYS A 76 6.566 -7.959 3.969 1.00 0.57 H new ATOM 0 HD2 LYS A 76 4.823 -10.278 4.874 1.00 0.72 H new ATOM 0 HD3 LYS A 76 5.397 -10.102 3.227 1.00 0.72 H new ATOM 0 HE2 LYS A 76 7.773 -10.029 4.105 1.00 1.15 H new ATOM 0 HE3 LYS A 76 7.155 -10.317 5.719 1.00 1.15 H new ATOM 0 HZ1 LYS A 76 7.861 -12.362 4.673 1.00 1.56 H new ATOM 0 HZ2 LYS A 76 6.186 -12.396 4.948 1.00 1.56 H new ATOM 0 HZ3 LYS A 76 6.784 -12.116 3.383 1.00 1.56 H new ATOM 1022 N GLY A 77 3.811 -6.565 8.404 1.00 0.54 N ATOM 1023 CA GLY A 77 3.474 -6.047 9.727 1.00 0.52 C ATOM 1024 C GLY A 77 3.141 -4.552 9.686 1.00 0.57 C ATOM 1025 O GLY A 77 3.037 -3.940 8.620 1.00 0.61 O ATOM 0 H GLY A 77 3.551 -5.917 7.660 1.00 0.54 H new ATOM 0 HA2 GLY A 77 2.623 -6.598 10.127 1.00 0.52 H new ATOM 0 HA3 GLY A 77 4.310 -6.215 10.406 1.00 0.52 H new ATOM 1029 N MET A 78 2.971 -3.947 10.856 1.00 0.71 N ATOM 1030 CA MET A 78 2.770 -2.515 11.033 1.00 0.76 C ATOM 1031 C MET A 78 4.111 -1.776 11.142 1.00 0.87 C ATOM 1032 O MET A 78 5.151 -2.348 11.487 1.00 1.26 O ATOM 1033 CB MET A 78 1.851 -2.255 12.235 1.00 0.75 C ATOM 1034 CG MET A 78 0.434 -2.795 11.988 1.00 0.84 C ATOM 1035 SD MET A 78 0.203 -4.537 12.445 1.00 1.21 S ATOM 1036 CE MET A 78 -1.346 -4.883 11.572 1.00 1.19 C ATOM 0 H MET A 78 2.969 -4.459 11.738 1.00 0.71 H new ATOM 0 HA MET A 78 2.272 -2.115 10.150 1.00 0.76 H new ATOM 0 HB2 MET A 78 2.271 -2.726 13.124 1.00 0.75 H new ATOM 0 HB3 MET A 78 1.804 -1.184 12.433 1.00 0.75 H new ATOM 0 HG2 MET A 78 -0.276 -2.188 12.550 1.00 0.84 H new ATOM 0 HG3 MET A 78 0.191 -2.674 10.932 1.00 0.84 H new ATOM 0 HE1 MET A 78 -1.838 -5.740 12.031 1.00 1.19 H new ATOM 0 HE2 MET A 78 -2.000 -4.013 11.633 1.00 1.19 H new ATOM 0 HE3 MET A 78 -1.133 -5.104 10.526 1.00 1.19 H new