USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 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 7 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 2.41 (180deg=2.2) USER MOD Single : A 2 GLN : amide:sc= -0.272 K(o=-0.27,f=-0.95) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= 0.546 (180deg=0.0376) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -72:sc= 0.403 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0281 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00274 USER MOD Single : A 25 ASN : amide:sc= -0.215 X(o=-0.21,f=-0.33) USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 1.11 (180deg=1.01) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 2.24 (180deg=2.09) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.122 K(o=-0.12,f=-0.71) USER MOD Single : A 41 GLN : amide:sc= 1.08 K(o=1.1,f=-4.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 55 THR OG1 : rot -20:sc= 1.17 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 166:sc= 0.103 USER MOD Single : A 60 ASN : amide:sc= -0.0519 K(o=-0.052,f=-1.6!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0145 X(o=-0.014,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.208 -7.631 -5.027 1.00 9.67 N ATOM 2 CA MET A 1 11.211 -8.043 -3.613 1.00 10.38 C ATOM 3 C MET A 1 9.767 -8.313 -3.129 1.00 9.62 C ATOM 4 O MET A 1 8.826 -7.832 -3.735 1.00 9.62 O ATOM 5 CB MET A 1 11.954 -6.974 -2.741 1.00 13.77 C ATOM 6 CG MET A 1 11.301 -5.603 -2.569 1.00 16.29 C ATOM 7 SD MET A 1 12.088 -4.631 -1.287 1.00 17.17 S ATOM 8 CE MET A 1 10.993 -3.155 -1.619 1.00 16.11 C ATOM 0 H1 MET A 1 12.182 -7.633 -5.391 1.00 9.67 H new ATOM 0 H2 MET A 1 10.630 -8.295 -5.581 1.00 9.67 H new ATOM 0 H3 MET A 1 10.810 -6.674 -5.109 1.00 9.67 H new ATOM 0 HA MET A 1 11.759 -8.979 -3.505 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.103 -7.399 -1.748 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.943 -6.820 -3.173 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.347 -5.060 -3.513 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.246 -5.733 -2.327 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.258 -2.345 -0.939 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.130 -2.824 -2.649 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.951 -3.433 -1.463 1.00 16.11 H new ATOM 20 N GLN A 2 9.593 -9.120 -2.081 1.00 9.27 N ATOM 21 CA GLN A 2 8.295 -9.315 -1.428 1.00 9.07 C ATOM 22 C GLN A 2 7.917 -8.308 -0.392 1.00 8.72 C ATOM 23 O GLN A 2 8.631 -8.203 0.598 1.00 8.22 O ATOM 24 CB GLN A 2 8.161 -10.746 -0.770 1.00 14.46 C ATOM 25 CG GLN A 2 8.458 -11.881 -1.756 1.00 17.01 C ATOM 26 CD GLN A 2 7.223 -12.267 -2.521 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.492 -13.243 -2.249 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.896 -11.556 -3.630 1.00 19.49 N ATOM 0 H GLN A 2 10.350 -9.659 -1.659 1.00 9.27 H new ATOM 0 HA GLN A 2 7.606 -9.192 -2.264 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.844 -10.818 0.076 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.152 -10.867 -0.376 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.238 -11.569 -2.451 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.840 -12.747 -1.215 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.457 -10.748 -3.902 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.090 -11.829 -4.192 1.00 19.49 H new ATOM 37 N ILE A 3 6.781 -7.553 -0.532 1.00 5.87 N ATOM 38 CA ILE A 3 6.296 -6.762 0.606 1.00 5.07 C ATOM 39 C ILE A 3 4.963 -7.304 1.081 1.00 4.01 C ATOM 40 O ILE A 3 4.311 -7.875 0.186 1.00 4.61 O ATOM 41 CB ILE A 3 6.168 -5.264 0.326 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.317 -4.921 -0.833 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.556 -4.687 0.281 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.973 -3.423 -0.867 1.00 10.83 C ATOM 0 H ILE A 3 6.222 -7.487 -1.382 1.00 5.87 H new ATOM 0 HA ILE A 3 7.056 -6.862 1.380 1.00 5.07 H new ATOM 0 HB ILE A 3 5.613 -4.795 1.139 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.830 -5.197 -1.754 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.397 -5.504 -0.793 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.499 -3.617 0.082 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.050 -4.853 1.238 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.127 -5.173 -0.511 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.347 -3.213 -1.734 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.437 -3.152 0.042 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.892 -2.840 -0.934 1.00 10.83 H new ATOM 56 N PHE A 4 4.521 -7.068 2.358 1.00 4.55 N ATOM 57 CA PHE A 4 3.311 -7.575 2.908 1.00 4.68 C ATOM 58 C PHE A 4 2.336 -6.478 3.020 1.00 5.30 C ATOM 59 O PHE A 4 2.688 -5.398 3.522 1.00 5.58 O ATOM 60 CB PHE A 4 3.520 -8.217 4.293 1.00 4.83 C ATOM 61 CG PHE A 4 4.483 -9.416 4.226 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.485 -10.347 3.153 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.310 -9.721 5.331 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.233 -11.487 3.176 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.101 -10.835 5.345 1.00 10.61 C ATOM 66 CZ PHE A 4 6.037 -11.776 4.285 1.00 8.90 C ATOM 0 H PHE A 4 5.047 -6.496 3.019 1.00 4.55 H new ATOM 0 HA PHE A 4 2.943 -8.353 2.239 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.915 -7.472 4.984 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.559 -8.544 4.691 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.872 -10.145 2.287 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.317 -9.058 6.184 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.205 -12.168 2.338 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.780 -11.000 6.169 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.598 -12.698 4.333 1.00 8.90 H new ATOM 76 N VAL A 5 1.044 -6.615 2.597 1.00 4.44 N ATOM 77 CA VAL A 5 0.072 -5.624 2.907 1.00 3.87 C ATOM 78 C VAL A 5 -0.830 -6.392 3.858 1.00 4.93 C ATOM 79 O VAL A 5 -1.130 -7.564 3.581 1.00 6.84 O ATOM 80 CB VAL A 5 -0.624 -5.190 1.610 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.720 -4.201 1.970 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.488 -4.603 0.705 1.00 9.13 C ATOM 0 H VAL A 5 0.695 -7.403 2.051 1.00 4.44 H new ATOM 0 HA VAL A 5 0.439 -4.697 3.348 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.112 -6.001 1.070 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.230 -3.877 1.063 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.436 -4.679 2.638 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.281 -3.336 2.467 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.053 -4.274 -0.239 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.954 -3.754 1.205 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.241 -5.367 0.511 1.00 9.13 H new ATOM 92 N LYS A 6 -1.343 -5.834 4.980 1.00 6.04 N ATOM 93 CA LYS A 6 -2.177 -6.447 5.935 1.00 6.12 C ATOM 94 C LYS A 6 -3.520 -5.742 6.179 1.00 6.57 C ATOM 95 O LYS A 6 -3.512 -4.551 6.275 1.00 5.76 O ATOM 96 CB LYS A 6 -1.453 -6.713 7.257 1.00 7.45 C ATOM 97 CG LYS A 6 -2.322 -7.368 8.317 1.00 11.12 C ATOM 98 CD LYS A 6 -1.634 -7.597 9.677 1.00 14.54 C ATOM 99 CE LYS A 6 -0.428 -8.617 9.703 1.00 18.84 C ATOM 100 NZ LYS A 6 0.412 -8.602 10.957 1.00 20.55 N ATOM 0 H LYS A 6 -1.143 -4.864 5.222 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.431 -7.403 5.478 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.590 -7.350 7.065 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.072 -5.769 7.647 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.205 -6.749 8.474 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.670 -8.329 7.937 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.273 -6.635 10.041 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.387 -7.944 10.385 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.823 -9.623 9.564 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.219 -8.409 8.851 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.174 -9.305 10.873 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.826 -7.657 11.086 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.184 -8.834 11.777 1.00 20.55 H new ATOM 114 N THR A 7 -4.679 -6.499 6.276 1.00 7.41 N ATOM 115 CA THR A 7 -5.991 -5.960 6.314 1.00 7.48 C ATOM 116 C THR A 7 -6.490 -5.805 7.723 1.00 8.75 C ATOM 117 O THR A 7 -5.893 -6.278 8.664 1.00 8.58 O ATOM 118 CB THR A 7 -7.027 -6.512 5.362 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.536 -7.746 5.791 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.394 -6.795 3.996 1.00 9.17 C ATOM 0 H THR A 7 -4.665 -7.518 6.328 1.00 7.41 H new ATOM 0 HA THR A 7 -5.848 -4.970 5.881 1.00 7.48 H new ATOM 0 HB THR A 7 -7.816 -5.762 5.315 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.203 -8.066 5.148 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.151 -7.192 3.320 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.989 -5.871 3.584 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.592 -7.524 4.111 1.00 9.17 H new ATOM 128 N LEU A 8 -7.576 -5.010 7.809 1.00 9.84 N ATOM 129 CA LEU A 8 -8.252 -4.804 9.096 1.00 14.15 C ATOM 130 C LEU A 8 -8.706 -6.142 9.610 1.00 17.37 C ATOM 131 O LEU A 8 -8.523 -6.524 10.741 1.00 17.01 O ATOM 132 CB LEU A 8 -9.501 -3.928 8.792 1.00 16.63 C ATOM 133 CG LEU A 8 -10.398 -3.397 9.967 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.136 -4.442 10.782 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.626 -2.476 10.921 1.00 18.59 C ATOM 0 H LEU A 8 -7.992 -4.513 7.021 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.602 -4.333 9.833 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.158 -3.060 8.230 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.146 -4.504 8.128 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.166 -2.840 9.430 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.719 -3.951 11.561 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.803 -5.007 10.131 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.417 -5.120 11.241 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.290 -2.136 11.715 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.789 -3.022 11.357 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -9.249 -1.615 10.370 1.00 18.59 H new ATOM 147 N THR A 9 -9.261 -7.014 8.777 1.00 18.33 N ATOM 148 CA THR A 9 -9.792 -8.306 9.300 1.00 19.24 C ATOM 149 C THR A 9 -8.615 -9.309 9.252 1.00 19.48 C ATOM 150 O THR A 9 -8.890 -10.480 9.599 1.00 23.14 O ATOM 151 CB THR A 9 -10.976 -8.835 8.551 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.729 -8.792 7.139 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.190 -7.920 8.789 1.00 19.70 C ATOM 0 H THR A 9 -9.362 -6.877 7.771 1.00 18.33 H new ATOM 0 HA THR A 9 -10.166 -8.151 10.312 1.00 19.24 H new ATOM 0 HB THR A 9 -11.157 -9.853 8.894 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.509 -9.142 6.660 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.050 -8.307 8.243 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.420 -7.890 9.854 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.961 -6.913 8.439 1.00 19.70 H new ATOM 161 N GLY A 10 -7.375 -8.843 8.962 1.00 19.43 N ATOM 162 CA GLY A 10 -6.175 -9.534 9.397 1.00 18.74 C ATOM 163 C GLY A 10 -5.634 -10.447 8.377 1.00 17.62 C ATOM 164 O GLY A 10 -4.756 -11.219 8.628 1.00 19.74 O ATOM 0 H GLY A 10 -7.199 -7.992 8.429 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.414 -8.799 9.659 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.396 -10.100 10.302 1.00 18.74 H new ATOM 168 N LYS A 11 -6.201 -10.435 7.168 1.00 13.56 N ATOM 169 CA LYS A 11 -5.596 -11.081 6.008 1.00 11.91 C ATOM 170 C LYS A 11 -4.243 -10.408 5.692 1.00 10.18 C ATOM 171 O LYS A 11 -4.097 -9.197 5.778 1.00 9.10 O ATOM 172 CB LYS A 11 -6.443 -11.049 4.737 1.00 13.43 C ATOM 173 CG LYS A 11 -6.022 -12.020 3.605 1.00 16.69 C ATOM 174 CD LYS A 11 -6.923 -11.903 2.363 1.00 17.92 C ATOM 175 CE LYS A 11 -6.599 -12.868 1.240 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.574 -12.671 0.054 1.00 21.93 N ATOM 0 H LYS A 11 -7.091 -9.977 6.969 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.488 -12.129 6.289 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.476 -11.268 5.009 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.426 -10.034 4.340 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.989 -11.816 3.321 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.054 -13.044 3.978 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.958 -12.059 2.668 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.854 -10.886 1.978 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.574 -12.713 0.904 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.663 -13.893 1.604 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.098 -12.931 -0.833 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.410 -13.275 0.188 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.870 -11.675 0.009 1.00 21.93 H new ATOM 190 N THR A 12 -3.239 -11.183 5.364 1.00 9.63 N ATOM 191 CA THR A 12 -1.949 -10.662 4.947 1.00 9.85 C ATOM 192 C THR A 12 -1.789 -11.264 3.560 1.00 11.66 C ATOM 193 O THR A 12 -1.914 -12.474 3.330 1.00 12.33 O ATOM 194 CB THR A 12 -0.755 -11.066 5.891 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.968 -10.743 7.227 1.00 10.91 O ATOM 196 CG2 THR A 12 0.521 -10.260 5.512 1.00 9.63 C ATOM 0 H THR A 12 -3.289 -12.202 5.377 1.00 9.63 H new ATOM 0 HA THR A 12 -1.922 -9.573 4.975 1.00 9.85 H new ATOM 0 HB THR A 12 -0.657 -12.144 5.765 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.193 -11.021 7.758 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.341 -10.546 6.170 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.793 -10.475 4.479 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.324 -9.194 5.621 1.00 9.63 H new ATOM 204 N ILE A 13 -1.503 -10.378 2.575 1.00 10.42 N ATOM 205 CA ILE A 13 -1.252 -10.695 1.196 1.00 11.84 C ATOM 206 C ILE A 13 0.145 -10.147 0.834 1.00 10.55 C ATOM 207 O ILE A 13 0.697 -9.261 1.526 1.00 11.92 O ATOM 208 CB ILE A 13 -2.197 -10.012 0.141 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.044 -8.509 0.169 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.584 -10.413 0.600 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.161 -7.794 -0.534 1.00 16.46 C ATOM 0 H ILE A 13 -1.444 -9.376 2.758 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.390 -11.775 1.138 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.977 -10.317 -0.882 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.000 -8.173 1.205 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.096 -8.237 -0.295 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.328 -9.986 -0.073 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.670 -11.500 0.592 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.754 -10.043 1.611 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.995 -6.718 -0.480 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.191 -8.105 -1.578 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.109 -8.040 -0.055 1.00 16.46 H new ATOM 223 N THR A 14 0.744 -10.787 -0.208 1.00 9.39 N ATOM 224 CA THR A 14 2.114 -10.560 -0.517 1.00 9.63 C ATOM 225 C THR A 14 2.116 -10.023 -1.958 1.00 11.20 C ATOM 226 O THR A 14 1.402 -10.467 -2.879 1.00 11.63 O ATOM 227 CB THR A 14 2.998 -11.873 -0.479 1.00 10.38 C ATOM 228 OG1 THR A 14 2.952 -12.404 0.838 1.00 16.30 O ATOM 229 CG2 THR A 14 4.403 -11.466 -0.587 1.00 11.66 C ATOM 0 H THR A 14 0.273 -11.452 -0.821 1.00 9.39 H new ATOM 0 HA THR A 14 2.542 -9.882 0.221 1.00 9.63 H new ATOM 0 HB THR A 14 2.655 -12.558 -1.254 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.480 -11.837 1.438 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.041 -12.350 -0.564 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.556 -10.932 -1.525 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.658 -10.813 0.248 1.00 11.66 H new ATOM 237 N LEU A 15 2.974 -8.973 -2.174 1.00 8.29 N ATOM 238 CA LEU A 15 3.198 -8.318 -3.486 1.00 9.03 C ATOM 239 C LEU A 15 4.545 -8.558 -4.014 1.00 8.59 C ATOM 240 O LEU A 15 5.547 -8.660 -3.296 1.00 7.79 O ATOM 241 CB LEU A 15 2.953 -6.800 -3.550 1.00 11.08 C ATOM 242 CG LEU A 15 1.556 -6.359 -3.165 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.406 -4.874 -3.494 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.449 -7.173 -3.880 1.00 15.27 C ATOM 0 H LEU A 15 3.531 -8.561 -1.425 1.00 8.29 H new ATOM 0 HA LEU A 15 2.432 -8.798 -4.094 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.668 -6.304 -2.893 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.160 -6.456 -4.564 1.00 11.08 H new ATOM 0 HG LEU A 15 1.430 -6.537 -2.097 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.404 -4.541 -3.222 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.144 -4.301 -2.933 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.563 -4.720 -4.562 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.530 -6.812 -3.564 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.549 -7.054 -4.959 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.548 -8.227 -3.621 1.00 15.27 H new ATOM 256 N GLU A 16 4.741 -8.557 -5.367 1.00 11.04 N ATOM 257 CA GLU A 16 6.073 -8.429 -5.928 1.00 11.50 C ATOM 258 C GLU A 16 6.263 -7.041 -6.274 1.00 10.13 C ATOM 259 O GLU A 16 5.401 -6.431 -6.967 1.00 9.83 O ATOM 260 CB GLU A 16 6.202 -9.354 -7.123 1.00 17.22 C ATOM 261 CG GLU A 16 7.599 -9.395 -7.810 1.00 23.33 C ATOM 262 CD GLU A 16 8.781 -9.773 -6.927 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.645 -10.747 -6.166 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.785 -8.991 -6.824 1.00 28.90 O ATOM 0 H GLU A 16 3.994 -8.643 -6.056 1.00 11.04 H new ATOM 0 HA GLU A 16 6.848 -8.721 -5.219 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.947 -10.365 -6.804 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.462 -9.058 -7.867 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.551 -10.103 -8.637 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.796 -8.413 -8.241 1.00 23.33 H new ATOM 271 N VAL A 17 7.450 -6.384 -5.841 1.00 8.99 N ATOM 272 CA VAL A 17 7.650 -5.003 -6.022 1.00 8.85 C ATOM 273 C VAL A 17 9.128 -4.605 -6.175 1.00 8.04 C ATOM 274 O VAL A 17 10.050 -5.329 -5.969 1.00 8.99 O ATOM 275 CB VAL A 17 7.136 -4.086 -4.821 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.615 -4.090 -4.714 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.744 -4.568 -3.530 1.00 10.54 C ATOM 0 H VAL A 17 8.224 -6.861 -5.378 1.00 8.99 H new ATOM 0 HA VAL A 17 7.073 -4.831 -6.930 1.00 8.85 H new ATOM 0 HB VAL A 17 7.447 -3.061 -5.021 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.307 -3.454 -3.884 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.184 -3.712 -5.641 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.265 -5.108 -4.540 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.395 -3.943 -2.708 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.448 -5.602 -3.352 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.830 -4.508 -3.595 1.00 10.54 H new ATOM 287 N GLU A 18 9.411 -3.322 -6.427 1.00 7.29 N ATOM 288 CA GLU A 18 10.811 -2.875 -6.423 1.00 7.08 C ATOM 289 C GLU A 18 10.892 -1.691 -5.414 1.00 6.45 C ATOM 290 O GLU A 18 9.838 -1.212 -4.993 1.00 5.28 O ATOM 291 CB GLU A 18 11.308 -2.561 -7.814 1.00 10.28 C ATOM 292 CG GLU A 18 11.409 -3.829 -8.776 1.00 12.65 C ATOM 293 CD GLU A 18 12.469 -4.817 -8.444 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.638 -4.341 -8.362 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.320 -6.008 -8.154 1.00 14.33 O ATOM 0 H GLU A 18 8.721 -2.599 -6.629 1.00 7.29 H new ATOM 0 HA GLU A 18 11.489 -3.663 -6.095 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.642 -1.827 -8.268 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.291 -2.097 -7.740 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.447 -4.342 -8.770 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.575 -3.476 -9.794 1.00 12.65 H new ATOM 302 N PRO A 19 12.006 -1.089 -5.007 1.00 7.24 N ATOM 303 CA PRO A 19 12.011 0.115 -4.168 1.00 7.07 C ATOM 304 C PRO A 19 11.652 1.388 -4.998 1.00 6.65 C ATOM 305 O PRO A 19 11.426 2.455 -4.490 1.00 6.37 O ATOM 306 CB PRO A 19 13.463 0.235 -3.717 1.00 7.61 C ATOM 307 CG PRO A 19 13.998 -1.249 -3.752 1.00 8.16 C ATOM 308 CD PRO A 19 13.320 -1.714 -5.060 1.00 7.49 C ATOM 0 HA PRO A 19 11.288 0.041 -3.356 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.035 0.881 -4.382 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.536 0.662 -2.717 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.086 -1.304 -3.798 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.685 -1.831 -2.885 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.881 -1.394 -5.938 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.245 -2.800 -5.108 1.00 7.49 H new ATOM 316 N SER A 20 11.565 1.225 -6.308 1.00 6.80 N ATOM 317 CA SER A 20 11.341 2.261 -7.335 1.00 6.28 C ATOM 318 C SER A 20 9.920 2.302 -7.811 1.00 8.45 C ATOM 319 O SER A 20 9.567 3.120 -8.653 1.00 7.26 O ATOM 320 CB SER A 20 12.298 2.025 -8.513 1.00 8.57 C ATOM 321 OG SER A 20 12.154 0.662 -8.879 1.00 11.13 O ATOM 0 H SER A 20 11.654 0.299 -6.726 1.00 6.80 H new ATOM 0 HA SER A 20 11.544 3.231 -6.880 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.053 2.680 -9.349 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.327 2.244 -8.227 1.00 8.57 H new ATOM 0 HG SER A 20 12.747 0.461 -9.633 1.00 11.13 H new ATOM 327 N ASP A 21 8.983 1.416 -7.306 1.00 7.50 N ATOM 328 CA ASP A 21 7.581 1.378 -7.679 1.00 7.70 C ATOM 329 C ASP A 21 6.952 2.593 -7.053 1.00 7.08 C ATOM 330 O ASP A 21 7.321 2.997 -5.927 1.00 8.11 O ATOM 331 CB ASP A 21 6.820 0.115 -7.255 1.00 11.00 C ATOM 332 CG ASP A 21 7.092 -1.148 -8.136 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.839 -1.115 -9.162 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.519 -2.206 -7.746 1.00 18.03 O ATOM 0 H ASP A 21 9.226 0.707 -6.614 1.00 7.50 H new ATOM 0 HA ASP A 21 7.521 1.366 -8.767 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.080 -0.118 -6.222 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.751 0.329 -7.274 1.00 11.00 H new ATOM 339 N THR A 22 5.983 3.259 -7.663 1.00 5.37 N ATOM 340 CA THR A 22 5.251 4.323 -6.963 1.00 6.01 C ATOM 341 C THR A 22 4.219 3.755 -6.059 1.00 8.01 C ATOM 342 O THR A 22 3.665 2.654 -6.135 1.00 8.11 O ATOM 343 CB THR A 22 4.625 5.366 -7.834 1.00 8.92 C ATOM 344 OG1 THR A 22 3.687 4.820 -8.763 1.00 10.22 O ATOM 345 CG2 THR A 22 5.755 6.114 -8.571 1.00 9.65 C ATOM 0 H THR A 22 5.683 3.092 -8.624 1.00 5.37 H new ATOM 0 HA THR A 22 6.026 4.839 -6.396 1.00 6.01 H new ATOM 0 HB THR A 22 4.056 6.051 -7.205 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.306 5.542 -9.306 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.324 6.881 -9.214 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.418 6.581 -7.842 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.323 5.409 -9.178 1.00 9.65 H new ATOM 353 N ILE A 23 3.813 4.534 -4.995 1.00 8.32 N ATOM 354 CA ILE A 23 2.738 4.259 -4.091 1.00 9.92 C ATOM 355 C ILE A 23 1.435 4.103 -4.813 1.00 10.01 C ATOM 356 O ILE A 23 0.614 3.268 -4.510 1.00 8.71 O ATOM 357 CB ILE A 23 2.620 5.339 -2.983 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.906 5.459 -2.189 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.376 5.093 -2.126 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.465 4.166 -1.538 1.00 12.30 C ATOM 0 H ILE A 23 4.284 5.411 -4.771 1.00 8.32 H new ATOM 0 HA ILE A 23 2.974 3.311 -3.608 1.00 9.92 H new ATOM 0 HB ILE A 23 2.480 6.315 -3.447 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.673 5.863 -2.849 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.747 6.193 -1.399 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.309 5.859 -1.354 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.487 5.133 -2.755 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.445 4.111 -1.658 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.386 4.397 -1.002 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.731 3.763 -0.840 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.672 3.428 -2.313 1.00 12.30 H new ATOM 372 N GLU A 24 1.172 4.975 -5.828 1.00 9.54 N ATOM 373 CA GLU A 24 0.083 4.750 -6.794 1.00 11.81 C ATOM 374 C GLU A 24 0.066 3.365 -7.417 1.00 11.14 C ATOM 375 O GLU A 24 -0.946 2.683 -7.453 1.00 10.62 O ATOM 376 CB GLU A 24 0.139 5.793 -7.882 1.00 19.24 C ATOM 377 CG GLU A 24 -0.795 5.662 -9.082 1.00 27.76 C ATOM 378 CD GLU A 24 -0.634 6.862 -9.956 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.431 7.273 -10.481 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.745 7.383 -10.270 1.00 36.51 O ATOM 0 H GLU A 24 1.702 5.832 -5.989 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.840 4.832 -6.220 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.053 6.761 -7.420 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.161 5.818 -8.261 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.565 4.755 -9.641 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.829 5.576 -8.747 1.00 27.76 H new ATOM 387 N ASN A 25 1.207 2.841 -7.847 1.00 9.43 N ATOM 388 CA ASN A 25 1.340 1.511 -8.432 1.00 10.96 C ATOM 389 C ASN A 25 1.115 0.425 -7.427 1.00 9.68 C ATOM 390 O ASN A 25 0.374 -0.488 -7.755 1.00 9.33 O ATOM 391 CB ASN A 25 2.643 1.386 -9.228 1.00 16.78 C ATOM 392 CG ASN A 25 2.700 0.149 -10.048 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.596 -0.722 -9.979 1.00 25.66 O ATOM 394 ND2 ASN A 25 1.677 -0.071 -10.907 1.00 24.70 N ATOM 0 H ASN A 25 2.093 3.344 -7.797 1.00 9.43 H new ATOM 0 HA ASN A 25 0.539 1.374 -9.159 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.750 2.253 -9.879 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.487 1.399 -8.539 1.00 16.78 H new ATOM 0 HD21 ASN A 25 1.657 -0.922 -11.468 1.00 24.70 H new ATOM 0 HD22 ASN A 25 0.927 0.615 -10.993 1.00 24.70 H new ATOM 401 N VAL A 26 1.649 0.449 -6.164 1.00 6.52 N ATOM 402 CA VAL A 26 1.380 -0.573 -5.154 1.00 5.53 C ATOM 403 C VAL A 26 -0.105 -0.783 -4.886 1.00 4.42 C ATOM 404 O VAL A 26 -0.609 -1.875 -4.631 1.00 3.40 O ATOM 405 CB VAL A 26 2.107 -0.239 -3.891 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.851 -1.200 -2.776 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.617 -0.169 -4.300 1.00 8.12 C ATOM 0 H VAL A 26 2.275 1.186 -5.840 1.00 6.52 H new ATOM 0 HA VAL A 26 1.747 -1.519 -5.552 1.00 5.53 H new ATOM 0 HB VAL A 26 1.754 0.706 -3.478 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.412 -0.892 -1.894 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.786 -1.212 -2.543 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.167 -2.199 -3.077 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.220 0.073 -3.425 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.930 -1.133 -4.702 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.753 0.602 -5.059 1.00 8.12 H new ATOM 417 N LYS A 27 -0.902 0.322 -4.902 1.00 2.64 N ATOM 418 CA LYS A 27 -2.355 0.217 -4.860 1.00 4.14 C ATOM 419 C LYS A 27 -3.001 -0.427 -6.044 1.00 5.58 C ATOM 420 O LYS A 27 -4.008 -1.141 -5.949 1.00 4.11 O ATOM 421 CB LYS A 27 -2.976 1.613 -4.595 1.00 3.97 C ATOM 422 CG LYS A 27 -2.636 2.199 -3.201 1.00 7.45 C ATOM 423 CD LYS A 27 -3.380 3.506 -2.758 1.00 9.02 C ATOM 424 CE LYS A 27 -3.313 4.636 -3.731 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.256 5.774 -3.430 1.00 15.47 N ATOM 0 H LYS A 27 -0.549 1.278 -4.943 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.563 -0.468 -4.038 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.630 2.305 -5.363 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.059 1.542 -4.694 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.837 1.430 -2.456 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.565 2.397 -3.173 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.428 3.265 -2.577 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.961 3.840 -1.809 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.293 5.021 -3.752 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.531 4.254 -4.728 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.065 6.564 -4.079 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.238 5.454 -3.554 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.117 6.090 -2.449 1.00 15.47 H new ATOM 439 N ALA A 28 -2.411 -0.310 -7.274 1.00 6.61 N ATOM 440 CA ALA A 28 -2.797 -1.073 -8.489 1.00 7.74 C ATOM 441 C ALA A 28 -2.556 -2.543 -8.331 1.00 9.17 C ATOM 442 O ALA A 28 -3.374 -3.347 -8.791 1.00 11.45 O ATOM 443 CB ALA A 28 -2.010 -0.608 -9.738 1.00 7.68 C ATOM 0 H ALA A 28 -1.638 0.333 -7.444 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.862 -0.881 -8.622 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.323 -1.192 -10.604 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.209 0.448 -9.921 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.943 -0.752 -9.570 1.00 7.68 H new ATOM 449 N LYS A 29 -1.418 -2.996 -7.714 1.00 8.96 N ATOM 450 CA LYS A 29 -1.126 -4.380 -7.270 1.00 7.90 C ATOM 451 C LYS A 29 -1.986 -4.958 -6.167 1.00 6.92 C ATOM 452 O LYS A 29 -2.417 -6.075 -6.194 1.00 6.87 O ATOM 453 CB LYS A 29 0.383 -4.348 -6.837 1.00 10.28 C ATOM 454 CG LYS A 29 1.402 -3.870 -7.868 1.00 14.94 C ATOM 455 CD LYS A 29 2.866 -4.201 -7.612 1.00 19.69 C ATOM 456 CE LYS A 29 3.726 -4.181 -8.912 1.00 22.63 C ATOM 457 NZ LYS A 29 5.229 -4.374 -8.647 1.00 24.98 N ATOM 0 H LYS A 29 -0.645 -2.363 -7.507 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.356 -5.051 -8.097 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.467 -3.708 -5.959 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.665 -5.354 -6.526 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.126 -4.291 -8.835 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.312 -2.787 -7.954 1.00 14.94 H new ATOM 0 HD2 LYS A 29 3.276 -3.486 -6.899 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.936 -5.186 -7.151 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.378 -4.967 -9.582 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.573 -3.232 -9.427 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.750 -4.317 -9.545 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 5.566 -3.630 -8.003 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 5.388 -5.306 -8.213 1.00 24.98 H new ATOM 471 N ILE A 30 -2.362 -4.207 -5.127 1.00 4.57 N ATOM 472 CA ILE A 30 -3.470 -4.512 -4.176 1.00 5.58 C ATOM 473 C ILE A 30 -4.827 -4.665 -4.948 1.00 7.26 C ATOM 474 O ILE A 30 -5.609 -5.634 -4.746 1.00 9.46 O ATOM 475 CB ILE A 30 -3.529 -3.562 -2.971 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.148 -3.417 -2.306 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.642 -4.077 -1.959 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.925 -2.074 -1.609 1.00 2.00 C ATOM 0 H ILE A 30 -1.892 -3.330 -4.903 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.256 -5.477 -3.717 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.806 -2.562 -3.305 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.023 -4.217 -1.577 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.376 -3.553 -3.064 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.690 -3.408 -1.100 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.610 -4.094 -2.460 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.390 -5.082 -1.622 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.929 -2.054 -1.167 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.015 -1.267 -2.336 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.672 -1.942 -0.826 1.00 2.00 H new ATOM 490 N GLN A 31 -5.115 -3.831 -5.975 1.00 7.06 N ATOM 491 CA GLN A 31 -6.254 -4.018 -6.813 1.00 8.67 C ATOM 492 C GLN A 31 -6.227 -5.296 -7.594 1.00 10.90 C ATOM 493 O GLN A 31 -7.253 -5.971 -7.661 1.00 9.63 O ATOM 494 CB GLN A 31 -6.494 -2.821 -7.768 1.00 9.12 C ATOM 495 CG GLN A 31 -7.894 -2.809 -8.324 1.00 10.76 C ATOM 496 CD GLN A 31 -8.119 -1.760 -9.379 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.247 -0.956 -9.655 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.347 -1.618 -9.813 1.00 14.76 N ATOM 0 H GLN A 31 -4.547 -3.020 -6.220 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.091 -4.082 -6.117 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.309 -1.889 -7.234 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.779 -2.865 -8.589 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.116 -3.789 -8.746 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.598 -2.647 -7.508 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.058 -2.307 -9.567 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.592 -0.819 -10.397 1.00 14.76 H new ATOM 507 N ASP A 32 -5.067 -5.594 -8.279 1.00 10.93 N ATOM 508 CA ASP A 32 -4.840 -6.874 -8.860 1.00 14.01 C ATOM 509 C ASP A 32 -5.046 -8.077 -7.943 1.00 14.04 C ATOM 510 O ASP A 32 -5.788 -8.948 -8.285 1.00 13.39 O ATOM 511 CB ASP A 32 -3.493 -6.879 -9.657 1.00 18.01 C ATOM 512 CG ASP A 32 -3.207 -8.193 -10.341 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.047 -8.709 -11.112 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.052 -8.710 -10.129 1.00 25.17 O ATOM 0 H ASP A 32 -4.304 -4.931 -8.416 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.649 -7.028 -9.574 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.519 -6.087 -10.405 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.675 -6.647 -8.975 1.00 18.01 H new ATOM 519 N LYS A 33 -4.458 -8.127 -6.735 1.00 14.22 N ATOM 520 CA LYS A 33 -4.688 -9.220 -5.821 1.00 14.00 C ATOM 521 C LYS A 33 -6.117 -9.314 -5.249 1.00 12.37 C ATOM 522 O LYS A 33 -6.747 -10.402 -5.320 1.00 12.17 O ATOM 523 CB LYS A 33 -3.611 -9.185 -4.642 1.00 18.62 C ATOM 524 CG LYS A 33 -2.164 -9.284 -5.198 1.00 24.00 C ATOM 525 CD LYS A 33 -1.842 -10.578 -5.943 1.00 27.61 C ATOM 526 CE LYS A 33 -0.335 -10.593 -6.260 1.00 27.64 C ATOM 527 NZ LYS A 33 0.097 -11.751 -7.046 1.00 30.06 N ATOM 0 H LYS A 33 -3.821 -7.413 -6.383 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.571 -10.123 -6.419 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.722 -8.262 -4.072 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.796 -10.009 -3.953 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -1.992 -8.444 -5.870 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.465 -9.177 -4.369 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.111 -11.442 -5.336 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.424 -10.641 -6.863 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.079 -9.683 -6.802 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.223 -10.574 -5.324 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.121 -11.691 -7.219 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.115 -12.624 -6.523 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.408 -11.761 -7.955 1.00 30.06 H new ATOM 541 N GLU A 34 -6.642 -8.232 -4.726 1.00 10.11 N ATOM 542 CA GLU A 34 -7.857 -8.201 -3.902 1.00 10.07 C ATOM 543 C GLU A 34 -8.992 -7.488 -4.470 1.00 9.32 C ATOM 544 O GLU A 34 -10.091 -7.660 -3.969 1.00 11.61 O ATOM 545 CB GLU A 34 -7.574 -7.539 -2.544 1.00 14.77 C ATOM 546 CG GLU A 34 -6.579 -8.197 -1.570 1.00 18.75 C ATOM 547 CD GLU A 34 -6.996 -9.602 -1.263 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.056 -9.795 -0.599 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.247 -10.586 -1.566 1.00 21.95 O ATOM 0 H GLU A 34 -6.230 -7.308 -4.859 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.128 -9.254 -3.823 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.217 -6.528 -2.742 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.526 -7.444 -2.023 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.580 -8.195 -2.005 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.526 -7.618 -0.648 1.00 18.75 H new ATOM 556 N GLY A 35 -8.933 -6.749 -5.621 1.00 7.22 N ATOM 557 CA GLY A 35 -10.125 -6.137 -6.204 1.00 6.29 C ATOM 558 C GLY A 35 -10.574 -4.933 -5.579 1.00 6.93 C ATOM 559 O GLY A 35 -11.696 -4.494 -5.832 1.00 7.41 O ATOM 0 H GLY A 35 -8.074 -6.576 -6.142 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.925 -5.926 -7.255 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.936 -6.865 -6.173 1.00 6.29 H new ATOM 563 N ILE A 36 -9.833 -4.331 -4.637 1.00 5.86 N ATOM 564 CA ILE A 36 -10.293 -3.118 -3.982 1.00 6.07 C ATOM 565 C ILE A 36 -9.868 -1.831 -4.698 1.00 6.36 C ATOM 566 O ILE A 36 -8.658 -1.718 -4.925 1.00 6.18 O ATOM 567 CB ILE A 36 -9.839 -3.041 -2.524 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.026 -4.303 -1.752 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.592 -1.885 -1.783 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.236 -4.323 -0.445 1.00 9.49 C ATOM 0 H ILE A 36 -8.923 -4.667 -4.321 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.380 -3.185 -4.026 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.766 -2.853 -2.568 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.085 -4.435 -1.532 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.721 -5.149 -2.368 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.260 -1.841 -0.746 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.376 -0.936 -2.274 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.665 -2.072 -1.813 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.412 -5.266 0.072 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.173 -4.221 -0.661 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.559 -3.496 0.188 1.00 9.49 H new ATOM 582 N PRO A 37 -10.821 -0.884 -5.031 1.00 8.65 N ATOM 583 CA PRO A 37 -10.470 0.407 -5.657 1.00 9.18 C ATOM 584 C PRO A 37 -9.238 1.170 -5.061 1.00 9.85 C ATOM 585 O PRO A 37 -9.260 1.369 -3.821 1.00 8.51 O ATOM 586 CB PRO A 37 -11.771 1.226 -5.500 1.00 11.42 C ATOM 587 CG PRO A 37 -12.854 0.138 -5.615 1.00 9.27 C ATOM 588 CD PRO A 37 -12.289 -1.004 -4.798 1.00 8.33 C ATOM 0 HA PRO A 37 -10.138 0.245 -6.683 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.814 1.743 -4.542 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.871 1.984 -6.276 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.811 0.480 -5.221 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.022 -0.154 -6.652 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.540 -0.908 -3.742 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.674 -1.968 -5.131 1.00 8.33 H new ATOM 596 N PRO A 38 -8.252 1.731 -5.858 1.00 8.71 N ATOM 597 CA PRO A 38 -7.171 2.506 -5.311 1.00 9.08 C ATOM 598 C PRO A 38 -7.560 3.805 -4.641 1.00 9.28 C ATOM 599 O PRO A 38 -6.897 4.299 -3.739 1.00 6.50 O ATOM 600 CB PRO A 38 -6.247 2.789 -6.473 1.00 10.31 C ATOM 601 CG PRO A 38 -6.428 1.585 -7.375 1.00 10.81 C ATOM 602 CD PRO A 38 -7.816 1.023 -7.030 1.00 12.00 C ATOM 0 HA PRO A 38 -6.718 1.928 -4.506 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.515 3.715 -6.982 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.212 2.893 -6.146 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.369 1.869 -8.426 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.649 0.843 -7.201 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.512 1.170 -7.856 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.767 -0.049 -6.842 1.00 12.00 H new ATOM 610 N ASP A 39 -8.739 4.382 -5.060 1.00 11.20 N ATOM 611 CA ASP A 39 -9.411 5.518 -4.423 1.00 14.96 C ATOM 612 C ASP A 39 -9.814 5.250 -3.007 1.00 13.99 C ATOM 613 O ASP A 39 -9.630 6.061 -2.077 1.00 13.75 O ATOM 614 CB ASP A 39 -10.749 5.811 -5.164 1.00 24.16 C ATOM 615 CG ASP A 39 -10.453 6.369 -6.570 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.138 5.528 -7.482 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.529 7.582 -6.794 1.00 35.55 O ATOM 0 H ASP A 39 -9.244 4.040 -5.878 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.694 6.338 -4.461 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.340 4.899 -5.241 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.342 6.528 -4.595 1.00 24.16 H new ATOM 622 N GLN A 40 -10.387 4.040 -2.699 1.00 11.60 N ATOM 623 CA GLN A 40 -10.763 3.580 -1.376 1.00 10.76 C ATOM 624 C GLN A 40 -9.601 3.286 -0.516 1.00 8.01 C ATOM 625 O GLN A 40 -9.437 3.621 0.633 1.00 8.96 O ATOM 626 CB GLN A 40 -11.644 2.353 -1.401 1.00 11.14 C ATOM 627 CG GLN A 40 -13.020 2.583 -2.093 1.00 14.85 C ATOM 628 CD GLN A 40 -13.777 1.200 -2.111 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.395 0.171 -1.596 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.832 1.180 -2.922 1.00 18.16 N ATOM 0 H GLN A 40 -10.596 3.350 -3.420 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.322 4.417 -0.959 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.118 1.550 -1.917 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.814 2.018 -0.378 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.601 3.331 -1.553 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.882 2.958 -3.107 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.157 2.043 -3.357 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.316 0.301 -3.108 1.00 18.16 H new ATOM 639 N GLN A 41 -8.572 2.642 -1.116 1.00 6.52 N ATOM 640 CA GLN A 41 -7.385 2.182 -0.403 1.00 3.87 C ATOM 641 C GLN A 41 -6.490 3.289 0.171 1.00 4.79 C ATOM 642 O GLN A 41 -6.001 4.142 -0.536 1.00 6.34 O ATOM 643 CB GLN A 41 -6.454 1.436 -1.388 1.00 4.20 C ATOM 644 CG GLN A 41 -6.975 0.114 -1.987 1.00 3.20 C ATOM 645 CD GLN A 41 -5.844 -0.556 -2.719 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.648 -0.540 -2.354 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.166 -1.157 -3.850 1.00 7.13 N ATOM 0 H GLN A 41 -8.554 2.432 -2.114 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.788 1.581 0.412 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.223 2.112 -2.211 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.516 1.227 -0.874 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.354 -0.536 -1.198 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.805 0.307 -2.667 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.138 -1.177 -4.158 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.443 -1.601 -4.415 1.00 7.13 H new ATOM 656 N ARG A 42 -6.211 3.203 1.482 1.00 5.73 N ATOM 657 CA ARG A 42 -5.187 4.069 2.076 1.00 6.97 C ATOM 658 C ARG A 42 -4.169 3.245 2.834 1.00 7.15 C ATOM 659 O ARG A 42 -4.465 2.357 3.654 1.00 7.33 O ATOM 660 CB ARG A 42 -5.830 5.202 3.029 1.00 13.23 C ATOM 661 CG ARG A 42 -6.129 6.493 2.302 1.00 21.27 C ATOM 662 CD ARG A 42 -6.956 7.532 3.139 1.00 26.14 C ATOM 663 NE ARG A 42 -6.931 8.869 2.460 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.225 9.948 3.184 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.830 9.847 4.368 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.139 11.118 2.579 1.00 36.39 N ATOM 0 H ARG A 42 -6.666 2.562 2.132 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.682 4.585 1.259 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.751 4.818 3.468 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.145 5.406 3.852 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.188 6.953 2.002 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.677 6.263 1.388 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.985 7.189 3.247 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.541 7.616 4.143 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.695 8.950 1.471 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.078 8.929 4.737 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.045 10.688 4.904 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.858 11.166 1.600 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.354 11.974 3.091 1.00 36.39 H new ATOM 680 N LEU A 43 -2.863 3.462 2.539 1.00 4.65 N ATOM 681 CA LEU A 43 -1.867 2.661 3.068 1.00 3.51 C ATOM 682 C LEU A 43 -1.208 3.350 4.265 1.00 5.56 C ATOM 683 O LEU A 43 -0.910 4.520 4.237 1.00 4.19 O ATOM 684 CB LEU A 43 -0.791 2.277 2.047 1.00 3.74 C ATOM 685 CG LEU A 43 -1.307 1.483 0.786 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.226 1.128 -0.168 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.172 0.261 1.168 1.00 6.41 C ATOM 0 H LEU A 43 -2.530 4.206 1.926 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.356 1.739 3.384 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.297 3.187 1.705 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.035 1.674 2.550 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.959 2.176 0.254 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.650 0.584 -1.012 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.255 2.038 -0.528 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.511 0.502 0.334 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.501 -0.249 0.263 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.584 -0.425 1.778 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.042 0.594 1.733 1.00 6.41 H new ATOM 699 N ILE A 44 -1.037 2.581 5.333 1.00 4.58 N ATOM 700 CA ILE A 44 -0.534 3.016 6.626 1.00 5.55 C ATOM 701 C ILE A 44 0.782 2.283 6.911 1.00 5.46 C ATOM 702 O ILE A 44 0.855 1.059 6.766 1.00 6.04 O ATOM 703 CB ILE A 44 -1.553 2.716 7.750 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.898 3.499 7.585 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.976 3.036 9.165 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.817 5.044 7.753 1.00 13.90 C ATOM 0 H ILE A 44 -1.258 1.585 5.318 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.372 4.094 6.600 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.754 1.648 7.662 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.302 3.282 6.596 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.612 3.112 8.312 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.726 2.810 9.923 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.088 2.430 9.341 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.711 4.092 9.220 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.808 5.477 7.617 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.450 5.283 8.751 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.136 5.456 7.008 1.00 13.90 H new ATOM 718 N PHE A 45 1.809 3.020 7.320 1.00 6.75 N ATOM 719 CA PHE A 45 3.072 2.413 7.689 1.00 4.70 C ATOM 720 C PHE A 45 3.887 3.335 8.607 1.00 6.34 C ATOM 721 O PHE A 45 4.215 4.472 8.239 1.00 5.45 O ATOM 722 CB PHE A 45 3.922 1.970 6.460 1.00 5.51 C ATOM 723 CG PHE A 45 5.360 1.528 6.632 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.579 0.428 7.526 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.416 2.275 6.128 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.836 0.223 7.989 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.676 1.995 6.591 1.00 6.64 C ATOM 728 CZ PHE A 45 7.919 0.997 7.558 1.00 6.84 C ATOM 0 H PHE A 45 1.787 4.036 7.403 1.00 6.75 H new ATOM 0 HA PHE A 45 2.820 1.506 8.238 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.389 1.148 5.981 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.924 2.802 5.755 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.766 -0.218 7.822 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.251 3.051 5.395 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.007 -0.561 8.712 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.511 2.558 6.202 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.911 0.835 7.954 1.00 6.84 H new ATOM 738 N ALA A 46 4.179 2.832 9.858 1.00 6.53 N ATOM 739 CA ALA A 46 5.162 3.405 10.832 1.00 7.15 C ATOM 740 C ALA A 46 4.723 4.734 11.555 1.00 9.00 C ATOM 741 O ALA A 46 5.606 5.509 11.989 1.00 11.15 O ATOM 742 CB ALA A 46 6.547 3.407 10.230 1.00 8.99 C ATOM 0 H ALA A 46 3.721 1.995 10.218 1.00 6.53 H new ATOM 0 HA ALA A 46 5.188 2.733 11.690 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.254 3.826 10.946 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.839 2.386 9.986 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.549 4.011 9.323 1.00 8.99 H new ATOM 748 N GLY A 47 3.388 4.972 11.549 1.00 9.35 N ATOM 749 CA GLY A 47 2.754 6.237 11.998 1.00 11.68 C ATOM 750 C GLY A 47 2.644 7.214 10.778 1.00 11.14 C ATOM 751 O GLY A 47 2.170 8.327 10.978 1.00 13.93 O ATOM 0 H GLY A 47 2.711 4.280 11.227 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.765 6.037 12.410 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.344 6.692 12.793 1.00 11.68 H new ATOM 755 N LYS A 48 3.051 6.800 9.508 1.00 10.47 N ATOM 756 CA LYS A 48 2.813 7.555 8.274 1.00 8.82 C ATOM 757 C LYS A 48 1.749 6.975 7.409 1.00 7.68 C ATOM 758 O LYS A 48 1.345 5.835 7.533 1.00 6.47 O ATOM 759 CB LYS A 48 4.141 7.620 7.490 1.00 9.74 C ATOM 760 CG LYS A 48 5.265 8.159 8.273 1.00 14.14 C ATOM 761 CD LYS A 48 6.588 8.032 7.525 1.00 16.32 C ATOM 762 CE LYS A 48 7.794 8.442 8.380 1.00 20.04 C ATOM 763 NZ LYS A 48 9.011 8.216 7.621 1.00 23.92 N ATOM 0 H LYS A 48 3.552 5.925 9.351 1.00 10.47 H new ATOM 0 HA LYS A 48 2.459 8.546 8.558 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.398 6.619 7.144 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.999 8.237 6.603 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.077 9.208 8.504 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.333 7.630 9.224 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.716 7.001 7.194 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.555 8.652 6.629 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.716 9.492 8.662 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.814 7.864 9.304 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.834 8.492 8.194 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 9.084 7.209 7.373 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.988 8.786 6.751 1.00 23.92 H new ATOM 777 N GLN A 49 1.107 7.798 6.508 1.00 8.89 N ATOM 778 CA GLN A 49 0.168 7.325 5.504 1.00 7.18 C ATOM 779 C GLN A 49 0.728 7.655 4.153 1.00 8.23 C ATOM 780 O GLN A 49 1.284 8.721 3.928 1.00 9.70 O ATOM 781 CB GLN A 49 -1.182 8.038 5.790 1.00 11.67 C ATOM 782 CG GLN A 49 -2.369 7.602 4.875 1.00 15.82 C ATOM 783 CD GLN A 49 -3.670 8.204 5.496 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.385 7.552 6.232 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.078 9.462 5.076 1.00 20.67 N ATOM 0 H GLN A 49 1.249 8.808 6.484 1.00 8.89 H new ATOM 0 HA GLN A 49 0.007 6.247 5.532 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.458 7.856 6.828 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.037 9.113 5.683 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.224 7.964 3.857 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.435 6.515 4.820 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.481 10.012 4.459 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.975 9.837 5.385 1.00 20.67 H new ATOM 794 N LEU A 50 0.648 6.677 3.234 1.00 6.51 N ATOM 795 CA LEU A 50 1.426 6.733 1.995 1.00 7.41 C ATOM 796 C LEU A 50 0.813 7.552 0.865 1.00 8.27 C ATOM 797 O LEU A 50 -0.205 7.199 0.280 1.00 8.34 O ATOM 798 CB LEU A 50 1.775 5.338 1.520 1.00 7.13 C ATOM 799 CG LEU A 50 2.303 4.396 2.601 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.949 3.100 2.001 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.403 5.131 3.461 1.00 9.11 C ATOM 0 H LEU A 50 0.059 5.850 3.328 1.00 6.51 H new ATOM 0 HA LEU A 50 2.332 7.277 2.264 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.887 4.891 1.073 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.524 5.417 0.732 1.00 7.13 H new ATOM 0 HG LEU A 50 1.447 4.110 3.212 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.308 2.464 2.810 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.204 2.559 1.418 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.784 3.375 1.357 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.776 4.454 4.230 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.227 5.435 2.815 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.968 6.012 3.933 1.00 9.11 H new ATOM 813 N GLU A 51 1.501 8.590 0.399 1.00 9.43 N ATOM 814 CA GLU A 51 1.081 9.414 -0.757 1.00 11.90 C ATOM 815 C GLU A 51 1.616 8.888 -2.152 1.00 11.49 C ATOM 816 O GLU A 51 2.799 8.570 -2.368 1.00 9.88 O ATOM 817 CB GLU A 51 1.513 10.905 -0.554 1.00 16.56 C ATOM 818 CG GLU A 51 0.947 11.519 0.811 1.00 26.06 C ATOM 819 CD GLU A 51 1.245 12.997 1.008 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.432 13.331 1.205 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.286 13.840 1.055 1.00 32.13 O ATOM 0 H GLU A 51 2.382 8.897 0.812 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.006 9.337 -0.793 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.601 10.969 -0.555 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.157 11.502 -1.394 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.133 11.372 0.841 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.368 10.962 1.648 1.00 26.06 H new ATOM 828 N ASP A 52 0.639 8.802 -3.044 1.00 12.71 N ATOM 829 CA ASP A 52 0.627 8.214 -4.390 1.00 16.56 C ATOM 830 C ASP A 52 1.801 8.540 -5.318 1.00 15.83 C ATOM 831 O ASP A 52 2.334 7.667 -5.922 1.00 17.21 O ATOM 832 CB ASP A 52 -0.662 8.568 -5.150 1.00 21.05 C ATOM 833 CG ASP A 52 -1.917 7.995 -4.519 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.160 8.213 -3.293 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.681 7.306 -5.244 1.00 25.82 O ATOM 0 H ASP A 52 -0.278 9.188 -2.820 1.00 12.71 H new ATOM 0 HA ASP A 52 0.707 7.152 -4.159 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.756 9.653 -5.204 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.582 8.204 -6.174 1.00 21.05 H new ATOM 840 N GLY A 53 2.262 9.765 -5.397 1.00 15.00 N ATOM 841 CA GLY A 53 3.323 10.143 -6.409 1.00 11.77 C ATOM 842 C GLY A 53 4.749 9.886 -5.886 1.00 11.10 C ATOM 843 O GLY A 53 5.736 10.196 -6.517 1.00 11.25 O ATOM 0 H GLY A 53 1.951 10.533 -4.802 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.167 9.574 -7.325 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.217 11.197 -6.666 1.00 11.77 H new ATOM 847 N ARG A 54 4.843 9.344 -4.681 1.00 8.53 N ATOM 848 CA ARG A 54 6.087 8.944 -4.060 1.00 9.05 C ATOM 849 C ARG A 54 6.463 7.499 -4.475 1.00 8.96 C ATOM 850 O ARG A 54 5.716 6.746 -5.074 1.00 11.60 O ATOM 851 CB ARG A 54 5.868 9.024 -2.513 1.00 7.97 C ATOM 852 CG ARG A 54 5.512 10.429 -2.043 1.00 9.62 C ATOM 853 CD ARG A 54 6.688 11.387 -2.360 1.00 12.20 C ATOM 854 NE ARG A 54 6.306 12.806 -1.960 1.00 18.23 N ATOM 855 CZ ARG A 54 6.628 13.944 -2.650 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.572 13.938 -3.598 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.898 15.046 -2.358 1.00 23.38 N ATOM 0 H ARG A 54 4.028 9.167 -4.094 1.00 8.53 H new ATOM 0 HA ARG A 54 6.902 9.595 -4.374 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.072 8.337 -2.227 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.773 8.693 -2.004 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.604 10.772 -2.539 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.308 10.426 -0.972 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.582 11.074 -1.821 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.926 11.349 -3.423 1.00 12.20 H new ATOM 0 HE ARG A 54 5.763 12.918 -1.104 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.067 13.074 -3.819 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.796 14.797 -4.100 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.157 14.997 -1.658 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.089 15.926 -2.838 1.00 23.38 H new ATOM 871 N THR A 55 7.662 7.037 -4.038 1.00 9.05 N ATOM 872 CA THR A 55 8.144 5.638 -4.206 1.00 9.03 C ATOM 873 C THR A 55 8.140 4.979 -2.877 1.00 8.15 C ATOM 874 O THR A 55 8.177 5.604 -1.815 1.00 5.91 O ATOM 875 CB THR A 55 9.481 5.466 -4.945 1.00 11.15 C ATOM 876 OG1 THR A 55 10.627 5.922 -4.221 1.00 11.95 O ATOM 877 CG2 THR A 55 9.348 6.237 -6.302 1.00 11.71 C ATOM 0 H THR A 55 8.332 7.633 -3.552 1.00 9.05 H new ATOM 0 HA THR A 55 7.446 5.146 -4.884 1.00 9.03 H new ATOM 0 HB THR A 55 9.658 4.400 -5.084 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.345 6.550 -3.524 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.276 6.144 -6.866 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.528 5.814 -6.882 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.147 7.290 -6.104 1.00 11.71 H new ATOM 885 N LEU A 56 8.173 3.683 -2.948 1.00 6.91 N ATOM 886 CA LEU A 56 8.467 2.831 -1.818 1.00 8.29 C ATOM 887 C LEU A 56 9.767 3.169 -0.946 1.00 8.05 C ATOM 888 O LEU A 56 9.789 3.211 0.303 1.00 10.17 O ATOM 889 CB LEU A 56 8.566 1.392 -2.282 1.00 6.60 C ATOM 890 CG LEU A 56 7.170 0.759 -2.590 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.305 -0.566 -3.253 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.381 0.508 -1.380 1.00 8.64 C ATOM 0 H LEU A 56 7.993 3.169 -3.810 1.00 6.91 H new ATOM 0 HA LEU A 56 7.631 3.016 -1.144 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.187 1.345 -3.177 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.067 0.801 -1.515 1.00 6.60 H new ATOM 0 HG LEU A 56 6.675 1.489 -3.231 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.315 -0.976 -3.452 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.845 -0.449 -4.193 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.854 -1.245 -2.601 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.422 0.068 -1.655 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.922 -0.179 -0.729 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.212 1.448 -0.855 1.00 8.64 H new ATOM 904 N SER A 57 10.941 3.351 -1.700 1.00 8.92 N ATOM 905 CA SER A 57 12.261 3.746 -1.027 1.00 9.00 C ATOM 906 C SER A 57 12.159 5.039 -0.202 1.00 9.44 C ATOM 907 O SER A 57 12.779 5.108 0.865 1.00 10.91 O ATOM 908 CB SER A 57 13.381 3.846 -2.065 1.00 10.32 C ATOM 909 OG SER A 57 14.689 3.778 -1.461 1.00 13.59 O ATOM 0 H SER A 57 10.996 3.237 -2.712 1.00 8.92 H new ATOM 0 HA SER A 57 12.500 2.953 -0.318 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.275 3.040 -2.791 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.284 4.783 -2.613 1.00 10.32 H new ATOM 0 HG SER A 57 15.375 3.844 -2.158 1.00 13.59 H new ATOM 915 N ASP A 58 11.274 5.958 -0.544 1.00 9.11 N ATOM 916 CA ASP A 58 11.006 7.218 0.172 1.00 7.91 C ATOM 917 C ASP A 58 10.538 7.043 1.570 1.00 9.12 C ATOM 918 O ASP A 58 10.883 7.784 2.462 1.00 8.61 O ATOM 919 CB ASP A 58 10.069 8.136 -0.618 1.00 8.41 C ATOM 920 CG ASP A 58 10.769 8.394 -1.967 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.938 8.861 -1.937 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.192 8.171 -3.076 1.00 11.70 O ATOM 0 H ASP A 58 10.686 5.851 -1.370 1.00 9.11 H new ATOM 0 HA ASP A 58 11.978 7.705 0.250 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.096 7.667 -0.766 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.895 9.070 -0.083 1.00 8.41 H new ATOM 927 N TYR A 59 9.777 5.986 1.763 1.00 7.97 N ATOM 928 CA TYR A 59 9.108 5.674 2.952 1.00 8.45 C ATOM 929 C TYR A 59 9.946 4.772 3.761 1.00 10.98 C ATOM 930 O TYR A 59 9.537 4.257 4.796 1.00 12.95 O ATOM 931 CB TYR A 59 7.720 5.011 2.767 1.00 7.94 C ATOM 932 CG TYR A 59 6.712 6.073 2.433 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.311 6.865 3.502 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.275 6.427 1.073 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.434 7.964 3.301 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.412 7.495 0.894 1.00 6.52 C ATOM 937 CZ TYR A 59 5.069 8.279 1.977 1.00 6.76 C ATOM 938 OH TYR A 59 4.321 9.397 1.782 1.00 7.63 O ATOM 0 H TYR A 59 9.617 5.295 1.030 1.00 7.97 H new ATOM 0 HA TYR A 59 8.931 6.631 3.443 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.761 4.267 1.971 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.428 4.488 3.678 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.670 6.643 4.496 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.624 5.859 0.223 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.059 8.539 4.135 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.011 7.713 -0.085 1.00 6.52 H new ATOM 0 HH TYR A 59 4.319 9.627 0.829 1.00 7.63 H new ATOM 948 N ASN A 60 11.197 4.463 3.381 1.00 12.38 N ATOM 949 CA ASN A 60 12.113 3.573 4.134 1.00 13.94 C ATOM 950 C ASN A 60 11.668 2.129 4.129 1.00 14.16 C ATOM 951 O ASN A 60 11.769 1.406 5.149 1.00 14.26 O ATOM 952 CB ASN A 60 12.621 4.161 5.548 1.00 19.23 C ATOM 953 CG ASN A 60 13.257 5.500 5.330 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.728 5.812 4.211 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.362 6.340 6.382 1.00 24.09 N ATOM 0 H ASN A 60 11.614 4.830 2.525 1.00 12.38 H new ATOM 0 HA ASN A 60 13.043 3.559 3.566 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.783 4.252 6.239 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.336 3.476 6.003 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.829 7.240 6.271 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.975 6.074 7.287 1.00 24.09 H new ATOM 962 N ILE A 61 11.140 1.609 2.992 1.00 11.08 N ATOM 963 CA ILE A 61 10.493 0.348 2.886 1.00 11.78 C ATOM 964 C ILE A 61 11.398 -0.665 2.367 1.00 13.74 C ATOM 965 O ILE A 61 12.119 -0.501 1.429 1.00 14.60 O ATOM 966 CB ILE A 61 9.192 0.413 2.113 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.160 1.473 2.773 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.644 -0.989 1.770 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.902 1.680 2.007 1.00 11.42 C ATOM 0 H ILE A 61 11.174 2.108 2.103 1.00 11.08 H new ATOM 0 HA ILE A 61 10.214 0.050 3.897 1.00 11.78 H new ATOM 0 HB ILE A 61 9.381 0.834 1.126 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.906 1.134 3.777 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.666 2.433 2.880 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.711 -0.889 1.216 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.372 -1.525 1.161 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.462 -1.544 2.690 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.275 2.405 2.526 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.140 2.053 1.011 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.368 0.734 1.922 1.00 11.42 H new ATOM 981 N GLN A 62 11.438 -1.808 2.996 1.00 13.97 N ATOM 982 CA GLN A 62 12.335 -2.939 2.702 1.00 15.52 C ATOM 983 C GLN A 62 11.484 -4.162 2.560 1.00 13.94 C ATOM 984 O GLN A 62 10.311 -4.242 2.902 1.00 12.15 O ATOM 985 CB GLN A 62 13.276 -2.989 3.917 1.00 19.53 C ATOM 986 CG GLN A 62 14.475 -3.904 3.869 1.00 26.38 C ATOM 987 CD GLN A 62 15.498 -3.884 4.998 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.769 -4.932 5.675 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.198 -2.753 5.163 1.00 32.71 N ATOM 0 H GLN A 62 10.815 -2.006 3.779 1.00 13.97 H new ATOM 0 HA GLN A 62 12.916 -2.855 1.783 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.640 -1.977 4.095 1.00 19.53 H new ATOM 0 HB3 GLN A 62 12.680 -3.271 4.785 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.100 -4.924 3.790 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.010 -3.688 2.944 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.967 -1.926 4.613 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.962 -2.720 5.838 1.00 32.71 H new ATOM 998 N LYS A 63 12.150 -5.246 2.137 1.00 11.73 N ATOM 999 CA LYS A 63 11.522 -6.570 1.964 1.00 11.97 C ATOM 1000 C LYS A 63 10.978 -7.194 3.294 1.00 10.41 C ATOM 1001 O LYS A 63 11.591 -7.189 4.417 1.00 9.59 O ATOM 1002 CB LYS A 63 12.364 -7.683 1.307 1.00 13.73 C ATOM 1003 CG LYS A 63 13.643 -8.127 2.061 1.00 16.98 C ATOM 1004 CD LYS A 63 14.605 -8.959 1.218 1.00 20.19 C ATOM 1005 CE LYS A 63 15.784 -9.498 2.090 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.684 -10.169 1.219 1.00 25.97 N ATOM 0 H LYS A 63 13.143 -5.232 1.904 1.00 11.73 H new ATOM 0 HA LYS A 63 10.726 -6.286 1.275 1.00 11.97 H new ATOM 0 HB2 LYS A 63 11.727 -8.557 1.174 1.00 13.73 H new ATOM 0 HB3 LYS A 63 12.655 -7.346 0.312 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.166 -7.241 2.421 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.353 -8.705 2.938 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.070 -9.794 0.766 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.998 -8.353 0.402 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.287 -8.679 2.605 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.414 -10.178 2.858 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.485 -10.542 1.768 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.191 -10.954 0.748 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.036 -9.502 0.503 1.00 25.97 H new ATOM 1020 N GLU A 64 9.764 -7.701 3.189 1.00 10.04 N ATOM 1021 CA GLU A 64 8.972 -8.348 4.252 1.00 10.94 C ATOM 1022 C GLU A 64 8.495 -7.406 5.313 1.00 9.74 C ATOM 1023 O GLU A 64 7.947 -7.761 6.316 1.00 9.42 O ATOM 1024 CB GLU A 64 9.544 -9.688 4.777 1.00 18.31 C ATOM 1025 CG GLU A 64 9.760 -10.643 3.583 1.00 24.16 C ATOM 1026 CD GLU A 64 10.368 -11.957 4.019 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.510 -11.931 4.492 1.00 31.72 O ATOM 1028 OE2 GLU A 64 9.732 -13.004 3.931 1.00 32.61 O ATOM 0 H GLU A 64 9.259 -7.677 2.303 1.00 10.04 H new ATOM 0 HA GLU A 64 8.060 -8.663 3.744 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.486 -9.517 5.298 1.00 18.31 H new ATOM 0 HB3 GLU A 64 8.858 -10.134 5.497 1.00 18.31 H new ATOM 0 HG2 GLU A 64 8.806 -10.830 3.089 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.411 -10.167 2.850 1.00 24.16 H new ATOM 1035 N SER A 65 8.575 -6.072 5.024 1.00 6.85 N ATOM 1036 CA SER A 65 7.820 -5.011 5.678 1.00 6.90 C ATOM 1037 C SER A 65 6.326 -5.193 5.385 1.00 4.72 C ATOM 1038 O SER A 65 5.944 -5.738 4.347 1.00 3.91 O ATOM 1039 CB SER A 65 8.395 -3.595 5.325 1.00 7.28 C ATOM 1040 OG SER A 65 7.949 -2.523 6.201 1.00 10.56 O ATOM 0 H SER A 65 9.197 -5.716 4.298 1.00 6.85 H new ATOM 0 HA SER A 65 7.932 -5.081 6.760 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.484 -3.642 5.356 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.115 -3.349 4.301 1.00 7.28 H new ATOM 0 HG SER A 65 8.353 -1.677 5.915 1.00 10.56 H new ATOM 1046 N THR A 66 5.536 -4.774 6.357 1.00 4.48 N ATOM 1047 CA THR A 66 4.085 -4.861 6.436 1.00 3.80 C ATOM 1048 C THR A 66 3.442 -3.497 6.371 1.00 4.60 C ATOM 1049 O THR A 66 3.598 -2.631 7.205 1.00 5.33 O ATOM 1050 CB THR A 66 3.517 -5.641 7.612 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.190 -6.854 7.599 1.00 2.15 O ATOM 1052 CG2 THR A 66 1.977 -5.873 7.400 1.00 3.40 C ATOM 0 H THR A 66 5.926 -4.324 7.185 1.00 4.48 H new ATOM 0 HA THR A 66 3.828 -5.449 5.555 1.00 3.80 H new ATOM 0 HB THR A 66 3.642 -5.115 8.559 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.872 -7.412 8.339 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.574 -6.432 8.244 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.471 -4.910 7.327 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.817 -6.438 6.481 1.00 3.40 H new ATOM 1060 N LEU A 67 2.640 -3.295 5.359 1.00 4.17 N ATOM 1061 CA LEU A 67 1.926 -2.065 5.233 1.00 3.85 C ATOM 1062 C LEU A 67 0.495 -2.357 5.566 1.00 3.80 C ATOM 1063 O LEU A 67 -0.054 -3.430 5.256 1.00 5.54 O ATOM 1064 CB LEU A 67 2.012 -1.461 3.804 1.00 7.18 C ATOM 1065 CG LEU A 67 3.393 -1.433 3.187 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.239 -0.968 1.745 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.323 -0.559 3.946 1.00 11.66 C ATOM 0 H LEU A 67 2.469 -3.970 4.613 1.00 4.17 H new ATOM 0 HA LEU A 67 2.367 -1.329 5.905 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.352 -2.030 3.149 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.628 -0.442 3.836 1.00 7.18 H new ATOM 0 HG LEU A 67 3.834 -2.429 3.219 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.218 -0.935 1.267 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.595 -1.662 1.206 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.794 0.027 1.729 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.303 -0.568 3.468 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.936 0.460 3.959 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.414 -0.926 4.968 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.188 -1.421 6.276 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.532 -1.595 6.745 1.00 4.17 C ATOM 1081 C HIS A 68 -2.533 -0.937 5.823 1.00 5.32 C ATOM 1082 O HIS A 68 -2.297 0.175 5.348 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.673 -1.290 8.265 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.764 -2.252 8.981 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.420 -1.892 9.608 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.021 -3.524 9.375 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.941 -3.040 10.170 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.063 -4.014 10.093 1.00 16.30 N ATOM 0 H HIS A 68 0.214 -0.518 6.528 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.791 -2.652 6.690 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.394 -0.259 8.481 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.705 -1.416 8.592 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.928 -4.071 9.163 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.925 -3.125 10.608 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.159 -4.951 10.485 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.617 -1.644 5.500 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.554 -1.120 4.521 1.00 3.97 C ATOM 1098 C LEU A 69 -5.843 -0.748 5.206 1.00 5.07 C ATOM 1099 O LEU A 69 -6.490 -1.652 5.765 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.800 -2.266 3.493 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.887 -2.070 2.408 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.511 -0.865 1.501 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.092 -3.316 1.617 1.00 9.96 C ATOM 0 H LEU A 69 -3.859 -2.554 5.892 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.167 -0.228 4.028 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.856 -2.462 2.984 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.052 -3.166 4.055 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.837 -1.849 2.895 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.278 -0.730 0.739 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.439 0.038 2.107 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.552 -1.057 1.020 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.861 -3.146 0.864 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.159 -3.593 1.127 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.406 -4.121 2.281 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.255 0.543 5.153 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.517 1.098 5.679 1.00 6.26 C ATOM 1117 C VAL A 70 -8.253 1.607 4.377 1.00 9.22 C ATOM 1118 O VAL A 70 -7.647 2.013 3.344 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.513 2.251 6.684 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.962 1.743 8.048 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.806 3.447 6.088 1.00 8.54 C ATOM 0 H VAL A 70 -5.679 1.262 4.716 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.963 0.302 6.275 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.521 2.607 6.899 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.958 2.563 8.767 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.596 0.938 8.419 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.946 1.372 7.915 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.806 4.266 6.808 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.778 3.178 5.844 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.323 3.761 5.182 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.604 1.515 4.480 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.427 1.850 3.349 1.00 16.06 C ATOM 1133 C LEU A 71 -11.251 3.109 3.590 1.00 18.09 C ATOM 1134 O LEU A 71 -11.878 3.256 4.608 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.441 0.750 2.951 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.767 -0.617 2.637 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.916 -1.591 2.191 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.738 -0.511 1.529 1.00 19.57 C ATOM 0 H LEU A 71 -10.108 1.219 5.316 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.700 1.987 2.548 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.159 0.617 3.760 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.002 1.081 2.077 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.239 -0.974 3.521 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.494 -2.569 1.958 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.641 -1.692 2.998 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.411 -1.189 1.307 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.296 -1.491 1.348 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.220 -0.156 0.618 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.957 0.190 1.824 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.121 4.121 2.705 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.846 5.359 2.771 1.00 25.83 C ATOM 1152 C ARG A 72 -13.099 5.413 1.878 1.00 27.74 C ATOM 1153 O ARG A 72 -13.072 5.017 0.702 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.939 6.457 2.296 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.526 7.878 2.147 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.582 8.948 1.644 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.362 10.163 1.492 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.792 11.229 0.933 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.638 11.103 0.305 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.427 12.379 0.928 1.00 35.02 N ATOM 0 H ARG A 72 -10.484 4.074 1.910 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.170 5.464 3.806 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.098 6.515 2.987 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.536 6.160 1.328 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.377 7.826 1.467 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.912 8.192 3.117 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.763 9.101 2.346 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.137 8.654 0.694 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.331 10.200 1.808 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.185 10.191 0.249 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.199 11.918 -0.124 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.352 12.453 1.351 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.995 13.198 0.501 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.261 5.962 2.402 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.518 6.094 1.650 1.00 30.76 C ATOM 1176 C LEU A 73 -15.900 7.612 1.636 1.00 32.18 C ATOM 1177 O LEU A 73 -15.738 8.285 2.623 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.723 5.231 2.146 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.432 3.782 2.408 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.742 3.006 2.775 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.769 3.071 1.210 1.00 29.11 C ATOM 0 H LEU A 73 -14.323 6.316 3.357 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.323 5.696 0.654 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -17.109 5.675 3.064 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.518 5.293 1.403 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.732 3.771 3.243 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.505 1.958 2.960 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -18.184 3.442 3.671 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.450 3.077 1.950 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.585 2.027 1.463 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.430 3.123 0.345 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.824 3.560 0.975 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.493 8.108 0.547 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.521 9.547 0.233 1.00 35.33 C ATOM 1195 C ARG A 74 -17.690 10.265 0.772 1.00 36.22 C ATOM 1196 O ARG A 74 -17.997 11.362 0.374 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.328 9.712 -1.309 1.00 36.91 C ATOM 1198 CG ARG A 74 -14.876 9.145 -1.781 1.00 38.62 C ATOM 1199 CD ARG A 74 -13.800 10.074 -1.425 1.00 39.75 C ATOM 1200 NE ARG A 74 -12.571 9.199 -1.578 1.00 41.13 N ATOM 1201 CZ ARG A 74 -11.510 9.517 -2.276 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -11.362 10.767 -2.789 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -10.657 8.547 -2.598 1.00 41.93 N ATOM 0 H ARG A 74 -16.968 7.527 -0.144 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.695 10.035 0.751 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.119 9.179 -1.837 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.417 10.764 -1.579 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -14.692 8.177 -1.315 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -14.879 8.985 -2.859 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -13.771 10.939 -2.087 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -13.907 10.454 -0.409 1.00 39.75 H new ATOM 0 HE ARG A 74 -12.571 8.297 -1.102 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -12.083 11.471 -2.632 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -10.530 11.001 -3.331 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -10.839 7.588 -2.302 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -9.821 8.763 -3.141 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.323 9.658 1.807 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.592 10.295 2.302 1.00 36.07 C ATOM 1219 C GLY A 75 -19.280 11.428 3.285 1.00 36.16 C ATOM 1220 O GLY A 75 -20.060 12.429 3.408 1.00 36.26 O ATOM 0 H GLY A 75 -18.022 8.809 2.285 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -20.162 10.685 1.459 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.215 9.545 2.789 1.00 36.07 H new ATOM 1224 N GLY A 76 -18.096 11.430 3.887 1.00 36.05 N ATOM 1225 CA GLY A 76 -17.630 12.456 4.783 1.00 36.19 C ATOM 1226 C GLY A 76 -16.141 12.414 4.837 1.00 36.20 C ATOM 1227 O GLY A 76 -15.518 11.621 4.087 1.00 0.00 O ATOM 1228 OXT GLY A 76 -15.471 13.149 5.615 1.00 0.00 O ATOM 0 H GLY A 76 -17.415 10.683 3.752 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -17.967 13.435 4.442 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -18.047 12.304 5.779 1.00 36.19 H new TER 1232 GLY A 76