USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=17 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= -1.8 (180deg=-1.94) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=0.82) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -117:sc= -0.549! USER MOD Single : A 10 LYS NZ :NH3+ 169:sc=-0.00644 (180deg=-0.145) USER MOD Single : A 12 THR OG1 : rot -130:sc= 0 USER MOD Single : A 15 SER OG : rot -130:sc= -0.201 USER MOD Single : A 19 SER OG : rot 180:sc= -1.28 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -1.29 K(o=-1.3,f=-0.19) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -155:sc= -0.498 (180deg=-2.45!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.231 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -2.64 K(o=-2.6,f=-3.3!) USER MOD Single : A 50 HIS : no HD1:sc= -0.318 X(o=-0.32,f=-0.74) USER MOD Single : A 53 THR OG1 : rot -18:sc= -0.32 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -136:sc= 0.516 (180deg=-0.266) USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= -0.0194 (180deg=-0.224) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.091 14.979 2.105 1.00 3.33 N ATOM 2 CA MET A 1 0.997 15.421 1.201 1.00 2.78 C ATOM 3 C MET A 1 0.308 14.224 0.552 1.00 2.08 C ATOM 4 O MET A 1 -0.912 14.083 0.627 1.00 2.36 O ATOM 5 CB MET A 1 1.548 16.352 0.120 1.00 2.93 C ATOM 6 CG MET A 1 2.162 17.630 0.670 1.00 3.53 C ATOM 7 SD MET A 1 1.006 18.577 1.679 1.00 4.37 S ATOM 8 CE MET A 1 2.026 19.978 2.132 1.00 5.17 C ATOM 0 H1 MET A 1 2.620 15.809 2.442 1.00 3.33 H new ATOM 0 H2 MET A 1 1.686 14.473 2.919 1.00 3.33 H new ATOM 0 H3 MET A 1 2.734 14.345 1.588 1.00 3.33 H new ATOM 0 HA MET A 1 0.262 15.960 1.798 1.00 2.78 H new ATOM 0 HB2 MET A 1 2.301 15.817 -0.459 1.00 2.93 H new ATOM 0 HB3 MET A 1 0.743 16.612 -0.568 1.00 2.93 H new ATOM 0 HG2 MET A 1 3.039 17.380 1.267 1.00 3.53 H new ATOM 0 HG3 MET A 1 2.507 18.249 -0.158 1.00 3.53 H new ATOM 0 HE1 MET A 1 1.451 20.659 2.760 1.00 5.17 H new ATOM 0 HE2 MET A 1 2.900 19.629 2.681 1.00 5.17 H new ATOM 0 HE3 MET A 1 2.348 20.500 1.231 1.00 5.17 H new ATOM 18 N GLN A 2 1.098 13.364 -0.086 1.00 1.56 N ATOM 19 CA GLN A 2 0.557 12.183 -0.747 1.00 0.99 C ATOM 20 C GLN A 2 0.374 11.040 0.248 1.00 0.83 C ATOM 21 O GLN A 2 1.165 10.880 1.177 1.00 1.25 O ATOM 22 CB GLN A 2 1.478 11.743 -1.887 1.00 1.05 C ATOM 23 CG GLN A 2 2.855 11.311 -1.425 1.00 1.64 C ATOM 24 CD GLN A 2 3.706 10.773 -2.557 1.00 2.33 C ATOM 25 OE1 GLN A 2 3.696 9.576 -2.843 1.00 2.91 O ATOM 26 NE2 GLN A 2 4.449 11.659 -3.210 1.00 2.94 N ATOM 0 H GLN A 2 2.111 13.463 -0.158 1.00 1.56 H new ATOM 0 HA GLN A 2 -0.418 12.441 -1.159 1.00 0.99 H new ATOM 0 HB2 GLN A 2 1.009 10.918 -2.423 1.00 1.05 H new ATOM 0 HB3 GLN A 2 1.583 12.565 -2.595 1.00 1.05 H new ATOM 0 HG2 GLN A 2 3.363 12.159 -0.965 1.00 1.64 H new ATOM 0 HG3 GLN A 2 2.753 10.545 -0.656 1.00 1.64 H new ATOM 0 HE21 GLN A 2 4.426 12.642 -2.939 1.00 2.94 H new ATOM 0 HE22 GLN A 2 5.042 11.356 -3.983 1.00 2.94 H new ATOM 33 N PHE A 3 -0.677 10.250 0.047 1.00 0.64 N ATOM 34 CA PHE A 3 -0.965 9.127 0.930 1.00 0.59 C ATOM 35 C PHE A 3 -1.124 9.601 2.371 1.00 0.50 C ATOM 36 O PHE A 3 -0.141 9.779 3.088 1.00 0.55 O ATOM 37 CB PHE A 3 0.148 8.081 0.843 1.00 0.80 C ATOM 38 CG PHE A 3 0.319 7.500 -0.532 1.00 0.75 C ATOM 39 CD1 PHE A 3 1.001 8.202 -1.512 1.00 0.80 C ATOM 40 CD2 PHE A 3 -0.201 6.253 -0.843 1.00 1.47 C ATOM 41 CE1 PHE A 3 1.160 7.672 -2.779 1.00 1.39 C ATOM 42 CE2 PHE A 3 -0.046 5.718 -2.107 1.00 2.25 C ATOM 43 CZ PHE A 3 0.636 6.429 -3.077 1.00 2.18 C ATOM 0 H PHE A 3 -1.341 10.367 -0.718 1.00 0.64 H new ATOM 0 HA PHE A 3 -1.902 8.673 0.608 1.00 0.59 H new ATOM 0 HB2 PHE A 3 1.088 8.535 1.156 1.00 0.80 H new ATOM 0 HB3 PHE A 3 -0.066 7.275 1.545 1.00 0.80 H new ATOM 0 HD1 PHE A 3 1.413 9.174 -1.284 1.00 0.80 H new ATOM 0 HD2 PHE A 3 -0.733 5.693 -0.088 1.00 1.47 H new ATOM 0 HE1 PHE A 3 1.693 8.229 -3.535 1.00 1.39 H new ATOM 0 HE2 PHE A 3 -0.457 4.746 -2.337 1.00 2.25 H new ATOM 0 HZ PHE A 3 0.759 6.013 -4.066 1.00 2.18 H new ATOM 52 N THR A 4 -2.370 9.810 2.785 1.00 0.53 N ATOM 53 CA THR A 4 -2.658 10.267 4.139 1.00 0.49 C ATOM 54 C THR A 4 -3.415 9.211 4.935 1.00 0.45 C ATOM 55 O THR A 4 -4.009 8.299 4.364 1.00 0.45 O ATOM 56 CB THR A 4 -3.476 11.571 4.132 1.00 0.57 C ATOM 57 OG1 THR A 4 -4.430 11.549 3.062 1.00 0.61 O ATOM 58 CG2 THR A 4 -2.566 12.780 3.985 1.00 0.66 C ATOM 0 H THR A 4 -3.195 9.670 2.202 1.00 0.53 H new ATOM 0 HA THR A 4 -1.695 10.452 4.615 1.00 0.49 H new ATOM 0 HB THR A 4 -4.003 11.647 5.083 1.00 0.57 H new ATOM 0 HG1 THR A 4 -4.946 12.382 3.067 1.00 0.61 H new ATOM 0 HG21 THR A 4 -3.167 13.689 3.983 1.00 0.66 H new ATOM 0 HG22 THR A 4 -1.864 12.811 4.819 1.00 0.66 H new ATOM 0 HG23 THR A 4 -2.013 12.708 3.048 1.00 0.66 H new ATOM 66 N PRO A 5 -3.402 9.327 6.274 1.00 0.47 N ATOM 67 CA PRO A 5 -4.089 8.379 7.155 1.00 0.51 C ATOM 68 C PRO A 5 -5.535 8.142 6.736 1.00 0.51 C ATOM 69 O PRO A 5 -6.196 9.038 6.212 1.00 0.65 O ATOM 70 CB PRO A 5 -4.034 9.066 8.520 1.00 0.62 C ATOM 71 CG PRO A 5 -2.828 9.933 8.460 1.00 0.58 C ATOM 72 CD PRO A 5 -2.716 10.392 7.033 1.00 0.53 C ATOM 0 HA PRO A 5 -3.624 7.393 7.138 1.00 0.51 H new ATOM 0 HB2 PRO A 5 -4.934 9.652 8.704 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -3.958 8.337 9.327 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -2.924 10.782 9.136 1.00 0.58 H new ATOM 0 HG3 PRO A 5 -1.937 9.383 8.764 1.00 0.58 H new ATOM 0 HD2 PRO A 5 -3.192 11.361 6.884 1.00 0.53 H new ATOM 0 HD3 PRO A 5 -1.676 10.498 6.726 1.00 0.53 H new ATOM 77 N ASP A 6 -6.021 6.926 6.969 1.00 0.74 N ATOM 78 CA ASP A 6 -7.392 6.564 6.628 1.00 0.84 C ATOM 79 C ASP A 6 -7.616 6.565 5.116 1.00 0.71 C ATOM 80 O ASP A 6 -8.755 6.610 4.653 1.00 0.67 O ATOM 81 CB ASP A 6 -8.375 7.524 7.301 1.00 1.07 C ATOM 82 CG ASP A 6 -8.269 7.491 8.813 1.00 2.06 C ATOM 83 OD1 ASP A 6 -7.462 8.267 9.368 1.00 2.69 O ATOM 84 OD2 ASP A 6 -8.994 6.692 9.442 1.00 2.51 O ATOM 0 H ASP A 6 -5.482 6.172 7.395 1.00 0.74 H new ATOM 0 HA ASP A 6 -7.566 5.552 6.992 1.00 0.84 H new ATOM 0 HB2 ASP A 6 -8.188 8.538 6.948 1.00 1.07 H new ATOM 0 HB3 ASP A 6 -9.392 7.266 7.005 1.00 1.07 H new ATOM 88 N SER A 7 -6.530 6.508 4.350 1.00 0.77 N ATOM 89 CA SER A 7 -6.629 6.496 2.896 1.00 0.72 C ATOM 90 C SER A 7 -6.512 5.071 2.360 1.00 0.54 C ATOM 91 O SER A 7 -6.233 4.138 3.111 1.00 0.67 O ATOM 92 CB SER A 7 -5.542 7.376 2.279 1.00 0.96 C ATOM 93 OG SER A 7 -4.257 6.810 2.475 1.00 1.89 O ATOM 0 H SER A 7 -5.577 6.470 4.711 1.00 0.77 H new ATOM 0 HA SER A 7 -7.605 6.894 2.619 1.00 0.72 H new ATOM 0 HB2 SER A 7 -5.730 7.498 1.212 1.00 0.96 H new ATOM 0 HB3 SER A 7 -5.577 8.370 2.725 1.00 0.96 H new ATOM 0 HG SER A 7 -3.715 7.412 3.028 1.00 1.89 H new ATOM 98 N ALA A 8 -6.726 4.914 1.058 1.00 0.47 N ATOM 99 CA ALA A 8 -6.643 3.602 0.426 1.00 0.35 C ATOM 100 C ALA A 8 -5.778 3.650 -0.827 1.00 0.31 C ATOM 101 O ALA A 8 -5.803 4.627 -1.575 1.00 0.38 O ATOM 102 CB ALA A 8 -8.035 3.089 0.090 1.00 0.44 C ATOM 0 H ALA A 8 -6.958 5.676 0.421 1.00 0.47 H new ATOM 0 HA ALA A 8 -6.176 2.915 1.132 1.00 0.35 H new ATOM 0 HB1 ALA A 8 -7.958 2.109 -0.381 1.00 0.44 H new ATOM 0 HB2 ALA A 8 -8.623 3.007 1.004 1.00 0.44 H new ATOM 0 HB3 ALA A 8 -8.523 3.783 -0.594 1.00 0.44 H new ATOM 108 N TRP A 9 -5.013 2.587 -1.053 1.00 0.30 N ATOM 109 CA TRP A 9 -4.141 2.505 -2.218 1.00 0.30 C ATOM 110 C TRP A 9 -3.887 1.050 -2.600 1.00 0.32 C ATOM 111 O TRP A 9 -4.112 0.142 -1.802 1.00 0.39 O ATOM 112 CB TRP A 9 -2.811 3.210 -1.939 1.00 0.34 C ATOM 113 CG TRP A 9 -2.973 4.582 -1.359 1.00 0.35 C ATOM 114 CD1 TRP A 9 -3.147 4.897 -0.041 1.00 0.40 C ATOM 115 CD2 TRP A 9 -2.973 5.824 -2.072 1.00 0.42 C ATOM 116 NE1 TRP A 9 -3.256 6.259 0.108 1.00 0.41 N ATOM 117 CE2 TRP A 9 -3.154 6.850 -1.124 1.00 0.42 C ATOM 118 CE3 TRP A 9 -2.840 6.170 -3.421 1.00 0.56 C ATOM 119 CZ2 TRP A 9 -3.201 8.196 -1.482 1.00 0.52 C ATOM 120 CZ3 TRP A 9 -2.888 7.506 -3.774 1.00 0.69 C ATOM 121 CH2 TRP A 9 -3.067 8.504 -2.807 1.00 0.66 C ATOM 0 H TRP A 9 -4.980 1.770 -0.444 1.00 0.30 H new ATOM 0 HA TRP A 9 -4.639 3.003 -3.050 1.00 0.30 H new ATOM 0 HB2 TRP A 9 -2.223 2.601 -1.253 1.00 0.34 H new ATOM 0 HB3 TRP A 9 -2.245 3.281 -2.868 1.00 0.34 H new ATOM 0 HD1 TRP A 9 -3.192 4.181 0.766 1.00 0.40 H new ATOM 0 HE1 TRP A 9 -3.391 6.750 0.992 1.00 0.41 H new ATOM 0 HE3 TRP A 9 -2.702 5.407 -4.173 1.00 0.56 H new ATOM 0 HZ2 TRP A 9 -3.338 8.968 -0.739 1.00 0.52 H new ATOM 0 HZ3 TRP A 9 -2.786 7.785 -4.812 1.00 0.69 H new ATOM 0 HH2 TRP A 9 -3.100 9.539 -3.115 1.00 0.66 H new ATOM 131 N LYS A 10 -3.414 0.837 -3.823 1.00 0.34 N ATOM 132 CA LYS A 10 -3.127 -0.507 -4.308 1.00 0.37 C ATOM 133 C LYS A 10 -1.623 -0.757 -4.364 1.00 0.34 C ATOM 134 O LYS A 10 -0.854 0.112 -4.774 1.00 0.34 O ATOM 135 CB LYS A 10 -3.745 -0.719 -5.691 1.00 0.43 C ATOM 136 CG LYS A 10 -5.263 -0.803 -5.670 1.00 1.01 C ATOM 137 CD LYS A 10 -5.828 -1.030 -7.063 1.00 1.03 C ATOM 138 CE LYS A 10 -7.326 -1.289 -7.020 1.00 1.28 C ATOM 139 NZ LYS A 10 -8.064 -0.177 -6.360 1.00 2.04 N ATOM 0 H LYS A 10 -3.221 1.578 -4.496 1.00 0.34 H new ATOM 0 HA LYS A 10 -3.569 -1.218 -3.610 1.00 0.37 H new ATOM 0 HB2 LYS A 10 -3.443 0.100 -6.345 1.00 0.43 H new ATOM 0 HB3 LYS A 10 -3.344 -1.636 -6.123 1.00 0.43 H new ATOM 0 HG2 LYS A 10 -5.574 -1.615 -5.013 1.00 1.01 H new ATOM 0 HG3 LYS A 10 -5.674 0.118 -5.255 1.00 1.01 H new ATOM 0 HD2 LYS A 10 -5.626 -0.158 -7.686 1.00 1.03 H new ATOM 0 HD3 LYS A 10 -5.324 -1.877 -7.528 1.00 1.03 H new ATOM 0 HE2 LYS A 10 -7.701 -1.421 -8.035 1.00 1.28 H new ATOM 0 HE3 LYS A 10 -7.518 -2.219 -6.486 1.00 1.28 H new ATOM 0 HZ1 LYS A 10 -9.085 -0.299 -6.514 1.00 2.04 H new ATOM 0 HZ2 LYS A 10 -7.864 -0.185 -5.339 1.00 2.04 H new ATOM 0 HZ3 LYS A 10 -7.759 0.731 -6.765 1.00 2.04 H new ATOM 149 N ILE A 11 -1.210 -1.949 -3.943 1.00 0.36 N ATOM 150 CA ILE A 11 0.200 -2.316 -3.943 1.00 0.36 C ATOM 151 C ILE A 11 0.670 -2.685 -5.348 1.00 0.32 C ATOM 152 O ILE A 11 0.067 -3.525 -6.015 1.00 0.38 O ATOM 153 CB ILE A 11 0.472 -3.497 -2.989 1.00 0.41 C ATOM 154 CG1 ILE A 11 0.027 -3.146 -1.569 1.00 0.48 C ATOM 155 CG2 ILE A 11 1.948 -3.869 -3.011 1.00 0.43 C ATOM 156 CD1 ILE A 11 0.342 -4.221 -0.553 1.00 0.56 C ATOM 0 H ILE A 11 -1.834 -2.678 -3.597 1.00 0.36 H new ATOM 0 HA ILE A 11 0.757 -1.446 -3.596 1.00 0.36 H new ATOM 0 HB ILE A 11 -0.104 -4.358 -3.328 1.00 0.41 H new ATOM 0 HG12 ILE A 11 0.510 -2.217 -1.265 1.00 0.48 H new ATOM 0 HG13 ILE A 11 -1.047 -2.961 -1.569 1.00 0.48 H new ATOM 0 HG21 ILE A 11 2.123 -4.704 -2.332 1.00 0.43 H new ATOM 0 HG22 ILE A 11 2.236 -4.157 -4.022 1.00 0.43 H new ATOM 0 HG23 ILE A 11 2.544 -3.013 -2.694 1.00 0.43 H new ATOM 0 HD11 ILE A 11 -0.002 -3.903 0.431 1.00 0.56 H new ATOM 0 HD12 ILE A 11 -0.163 -5.145 -0.833 1.00 0.56 H new ATOM 0 HD13 ILE A 11 1.418 -4.390 -0.524 1.00 0.56 H new ATOM 167 N THR A 12 1.751 -2.050 -5.788 1.00 0.28 N ATOM 168 CA THR A 12 2.311 -2.309 -7.109 1.00 0.27 C ATOM 169 C THR A 12 3.830 -2.424 -7.034 1.00 0.27 C ATOM 170 O THR A 12 4.554 -1.814 -7.820 1.00 0.30 O ATOM 171 CB THR A 12 1.931 -1.198 -8.107 1.00 0.30 C ATOM 172 OG1 THR A 12 0.531 -0.909 -8.008 1.00 0.91 O ATOM 173 CG2 THR A 12 2.263 -1.612 -9.533 1.00 0.97 C ATOM 0 H THR A 12 2.258 -1.350 -5.247 1.00 0.28 H new ATOM 0 HA THR A 12 1.893 -3.252 -7.461 1.00 0.27 H new ATOM 0 HB THR A 12 2.508 -0.307 -7.859 1.00 0.30 H new ATOM 0 HG1 THR A 12 0.131 -0.919 -8.903 1.00 0.91 H new ATOM 0 HG21 THR A 12 1.985 -0.811 -10.218 1.00 0.97 H new ATOM 0 HG22 THR A 12 3.332 -1.806 -9.616 1.00 0.97 H new ATOM 0 HG23 THR A 12 1.709 -2.516 -9.788 1.00 0.97 H new ATOM 181 N GLY A 13 4.304 -3.217 -6.076 1.00 0.29 N ATOM 182 CA GLY A 13 5.730 -3.409 -5.895 1.00 0.33 C ATOM 183 C GLY A 13 6.462 -3.683 -7.195 1.00 0.37 C ATOM 184 O GLY A 13 6.563 -4.831 -7.627 1.00 0.45 O ATOM 0 H GLY A 13 3.719 -3.733 -5.418 1.00 0.29 H new ATOM 0 HA2 GLY A 13 6.154 -2.521 -5.426 1.00 0.33 H new ATOM 0 HA3 GLY A 13 5.895 -4.240 -5.210 1.00 0.33 H new ATOM 188 N PHE A 14 6.970 -2.626 -7.817 1.00 0.34 N ATOM 189 CA PHE A 14 7.700 -2.755 -9.072 1.00 0.41 C ATOM 190 C PHE A 14 8.800 -1.704 -9.165 1.00 0.39 C ATOM 191 O PHE A 14 8.556 -0.570 -9.576 1.00 0.43 O ATOM 192 CB PHE A 14 6.748 -2.618 -10.259 1.00 0.50 C ATOM 193 CG PHE A 14 7.426 -2.761 -11.593 1.00 0.60 C ATOM 194 CD1 PHE A 14 8.027 -1.671 -12.200 1.00 0.69 C ATOM 195 CD2 PHE A 14 7.459 -3.987 -12.238 1.00 0.70 C ATOM 196 CE1 PHE A 14 8.650 -1.800 -13.427 1.00 0.79 C ATOM 197 CE2 PHE A 14 8.082 -4.122 -13.465 1.00 0.81 C ATOM 198 CZ PHE A 14 8.677 -3.027 -14.061 1.00 0.81 C ATOM 0 H PHE A 14 6.890 -1.669 -7.472 1.00 0.34 H new ATOM 0 HA PHE A 14 8.158 -3.744 -9.098 1.00 0.41 H new ATOM 0 HB2 PHE A 14 5.966 -3.372 -10.176 1.00 0.50 H new ATOM 0 HB3 PHE A 14 6.259 -1.645 -10.212 1.00 0.50 H new ATOM 0 HD1 PHE A 14 8.009 -0.709 -11.709 1.00 0.69 H new ATOM 0 HD2 PHE A 14 6.993 -4.846 -11.778 1.00 0.70 H new ATOM 0 HE1 PHE A 14 9.115 -0.942 -13.890 1.00 0.79 H new ATOM 0 HE2 PHE A 14 8.103 -5.083 -13.957 1.00 0.81 H new ATOM 0 HZ PHE A 14 9.162 -3.130 -15.020 1.00 0.81 H new ATOM 207 N SER A 15 10.010 -2.085 -8.773 1.00 0.40 N ATOM 208 CA SER A 15 11.146 -1.173 -8.811 1.00 0.41 C ATOM 209 C SER A 15 11.988 -1.406 -10.058 1.00 0.43 C ATOM 210 O SER A 15 11.666 -2.256 -10.889 1.00 0.48 O ATOM 211 CB SER A 15 12.009 -1.345 -7.561 1.00 0.39 C ATOM 212 OG SER A 15 13.063 -0.397 -7.533 1.00 0.76 O ATOM 0 H SER A 15 10.229 -3.019 -8.425 1.00 0.40 H new ATOM 0 HA SER A 15 10.760 -0.154 -8.839 1.00 0.41 H new ATOM 0 HB2 SER A 15 11.391 -1.232 -6.670 1.00 0.39 H new ATOM 0 HB3 SER A 15 12.422 -2.353 -7.537 1.00 0.39 H new ATOM 0 HG SER A 15 13.911 -0.856 -7.359 1.00 0.76 H new ATOM 217 N ARG A 16 13.068 -0.644 -10.183 1.00 0.57 N ATOM 218 CA ARG A 16 13.961 -0.764 -11.327 1.00 0.61 C ATOM 219 C ARG A 16 14.895 -1.962 -11.169 1.00 0.59 C ATOM 220 O ARG A 16 15.435 -2.471 -12.151 1.00 0.63 O ATOM 221 CB ARG A 16 14.779 0.515 -11.500 1.00 0.69 C ATOM 222 CG ARG A 16 13.962 1.708 -11.974 1.00 1.14 C ATOM 223 CD ARG A 16 12.850 2.053 -10.995 1.00 1.37 C ATOM 224 NE ARG A 16 12.186 3.307 -11.344 1.00 2.19 N ATOM 225 CZ ARG A 16 11.327 3.933 -10.546 1.00 2.67 C ATOM 226 NH1 ARG A 16 11.028 3.424 -9.359 1.00 2.41 N ATOM 227 NH2 ARG A 16 10.766 5.071 -10.933 1.00 3.58 N ATOM 0 H ARG A 16 13.346 0.065 -9.504 1.00 0.57 H new ATOM 0 HA ARG A 16 13.350 -0.919 -12.216 1.00 0.61 H new ATOM 0 HB2 ARG A 16 15.251 0.764 -10.550 1.00 0.69 H new ATOM 0 HB3 ARG A 16 15.581 0.329 -12.215 1.00 0.69 H new ATOM 0 HG2 ARG A 16 14.617 2.570 -12.100 1.00 1.14 H new ATOM 0 HG3 ARG A 16 13.532 1.489 -12.951 1.00 1.14 H new ATOM 0 HD2 ARG A 16 12.117 1.246 -10.979 1.00 1.37 H new ATOM 0 HD3 ARG A 16 13.263 2.128 -9.989 1.00 1.37 H new ATOM 0 HE ARG A 16 12.393 3.725 -12.251 1.00 2.19 H new ATOM 0 HH11 ARG A 16 11.458 2.550 -9.056 1.00 2.41 H new ATOM 0 HH12 ARG A 16 10.368 3.907 -8.749 1.00 2.41 H new ATOM 0 HH21 ARG A 16 10.994 5.468 -11.845 1.00 3.58 H new ATOM 0 HH22 ARG A 16 10.107 5.549 -10.319 1.00 3.58 H new ATOM 238 N ASP A 17 15.082 -2.409 -9.930 1.00 0.58 N ATOM 239 CA ASP A 17 15.955 -3.544 -9.654 1.00 0.63 C ATOM 240 C ASP A 17 15.622 -4.181 -8.307 1.00 0.57 C ATOM 241 O ASP A 17 16.513 -4.631 -7.585 1.00 0.62 O ATOM 242 CB ASP A 17 17.420 -3.100 -9.675 1.00 0.77 C ATOM 243 CG ASP A 17 18.378 -4.256 -9.466 1.00 1.61 C ATOM 244 OD1 ASP A 17 18.680 -4.961 -10.452 1.00 2.48 O ATOM 245 OD2 ASP A 17 18.828 -4.454 -8.318 1.00 1.86 O ATOM 0 H ASP A 17 14.642 -2.003 -9.104 1.00 0.58 H new ATOM 0 HA ASP A 17 15.794 -4.290 -10.432 1.00 0.63 H new ATOM 0 HB2 ASP A 17 17.637 -2.620 -10.629 1.00 0.77 H new ATOM 0 HB3 ASP A 17 17.581 -2.353 -8.898 1.00 0.77 H new ATOM 249 N ILE A 18 14.334 -4.227 -7.974 1.00 0.51 N ATOM 250 CA ILE A 18 13.884 -4.810 -6.713 1.00 0.50 C ATOM 251 C ILE A 18 14.572 -6.147 -6.440 1.00 0.50 C ATOM 252 O ILE A 18 14.550 -7.052 -7.275 1.00 0.57 O ATOM 253 CB ILE A 18 12.353 -5.012 -6.701 1.00 0.48 C ATOM 254 CG1 ILE A 18 11.904 -5.639 -5.378 1.00 0.52 C ATOM 255 CG2 ILE A 18 11.921 -5.875 -7.877 1.00 0.47 C ATOM 256 CD1 ILE A 18 10.407 -5.837 -5.279 1.00 0.56 C ATOM 0 H ILE A 18 13.582 -3.867 -8.562 1.00 0.51 H new ATOM 0 HA ILE A 18 14.155 -4.106 -5.926 1.00 0.50 H new ATOM 0 HB ILE A 18 11.876 -4.037 -6.797 1.00 0.48 H new ATOM 0 HG12 ILE A 18 12.398 -6.603 -5.256 1.00 0.52 H new ATOM 0 HG13 ILE A 18 12.234 -5.005 -4.555 1.00 0.52 H new ATOM 0 HG21 ILE A 18 10.839 -6.007 -7.853 1.00 0.47 H new ATOM 0 HG22 ILE A 18 12.207 -5.389 -8.810 1.00 0.47 H new ATOM 0 HG23 ILE A 18 12.407 -6.848 -7.812 1.00 0.47 H new ATOM 0 HD11 ILE A 18 10.162 -6.285 -4.316 1.00 0.56 H new ATOM 0 HD12 ILE A 18 9.906 -4.873 -5.369 1.00 0.56 H new ATOM 0 HD13 ILE A 18 10.073 -6.496 -6.081 1.00 0.56 H new ATOM 267 N SER A 19 15.185 -6.259 -5.264 1.00 0.57 N ATOM 268 CA SER A 19 15.883 -7.481 -4.872 1.00 0.59 C ATOM 269 C SER A 19 14.917 -8.486 -4.249 1.00 0.52 C ATOM 270 O SER A 19 13.929 -8.101 -3.622 1.00 0.50 O ATOM 271 CB SER A 19 17.004 -7.155 -3.882 1.00 0.70 C ATOM 272 OG SER A 19 17.580 -8.336 -3.353 1.00 1.50 O ATOM 0 H SER A 19 15.212 -5.517 -4.565 1.00 0.57 H new ATOM 0 HA SER A 19 16.314 -7.927 -5.768 1.00 0.59 H new ATOM 0 HB2 SER A 19 17.773 -6.564 -4.380 1.00 0.70 H new ATOM 0 HB3 SER A 19 16.609 -6.544 -3.070 1.00 0.70 H new ATOM 0 HG SER A 19 18.294 -8.099 -2.725 1.00 1.50 H new ATOM 277 N PRO A 20 15.192 -9.791 -4.413 1.00 0.54 N ATOM 278 CA PRO A 20 14.348 -10.856 -3.862 1.00 0.51 C ATOM 279 C PRO A 20 14.178 -10.735 -2.352 1.00 0.53 C ATOM 280 O PRO A 20 13.145 -11.112 -1.802 1.00 0.51 O ATOM 281 CB PRO A 20 15.103 -12.145 -4.209 1.00 0.55 C ATOM 282 CG PRO A 20 16.485 -11.707 -4.552 1.00 0.61 C ATOM 283 CD PRO A 20 16.343 -10.338 -5.147 1.00 0.61 C ATOM 0 HA PRO A 20 13.339 -10.819 -4.272 1.00 0.51 H new ATOM 0 HB2 PRO A 20 15.107 -12.838 -3.368 1.00 0.55 H new ATOM 0 HB3 PRO A 20 14.635 -12.663 -5.046 1.00 0.55 H new ATOM 0 HG2 PRO A 20 17.119 -11.685 -3.666 1.00 0.61 H new ATOM 0 HG3 PRO A 20 16.949 -12.395 -5.259 1.00 0.61 H new ATOM 0 HD2 PRO A 20 17.240 -9.737 -5.001 1.00 0.61 H new ATOM 0 HD3 PRO A 20 16.158 -10.379 -6.220 1.00 0.61 H new ATOM 288 N ALA A 21 15.201 -10.208 -1.684 1.00 0.58 N ATOM 289 CA ALA A 21 15.156 -10.033 -0.236 1.00 0.64 C ATOM 290 C ALA A 21 13.844 -9.384 0.192 1.00 0.62 C ATOM 291 O ALA A 21 13.191 -9.836 1.133 1.00 0.65 O ATOM 292 CB ALA A 21 16.337 -9.196 0.232 1.00 0.71 C ATOM 0 H ALA A 21 16.068 -9.896 -2.121 1.00 0.58 H new ATOM 0 HA ALA A 21 15.217 -11.017 0.229 1.00 0.64 H new ATOM 0 HB1 ALA A 21 16.290 -9.074 1.314 1.00 0.71 H new ATOM 0 HB2 ALA A 21 17.267 -9.697 -0.037 1.00 0.71 H new ATOM 0 HB3 ALA A 21 16.301 -8.217 -0.246 1.00 0.71 H new ATOM 298 N TYR A 22 13.469 -8.318 -0.506 1.00 0.60 N ATOM 299 CA TYR A 22 12.231 -7.606 -0.215 1.00 0.61 C ATOM 300 C TYR A 22 11.051 -8.248 -0.938 1.00 0.54 C ATOM 301 O TYR A 22 9.979 -8.430 -0.362 1.00 0.57 O ATOM 302 CB TYR A 22 12.352 -6.135 -0.616 1.00 0.66 C ATOM 303 CG TYR A 22 13.344 -5.355 0.217 1.00 0.90 C ATOM 304 CD1 TYR A 22 13.005 -4.897 1.485 1.00 0.99 C ATOM 305 CD2 TYR A 22 14.619 -5.077 -0.262 1.00 1.28 C ATOM 306 CE1 TYR A 22 13.909 -4.182 2.250 1.00 1.34 C ATOM 307 CE2 TYR A 22 15.526 -4.364 0.499 1.00 1.72 C ATOM 308 CZ TYR A 22 15.167 -3.919 1.752 1.00 1.72 C ATOM 309 OH TYR A 22 16.068 -3.209 2.512 1.00 2.17 O ATOM 0 H TYR A 22 14.007 -7.927 -1.280 1.00 0.60 H new ATOM 0 HA TYR A 22 12.053 -7.666 0.859 1.00 0.61 H new ATOM 0 HB2 TYR A 22 12.646 -6.077 -1.664 1.00 0.66 H new ATOM 0 HB3 TYR A 22 11.373 -5.664 -0.533 1.00 0.66 H new ATOM 0 HD1 TYR A 22 12.021 -5.103 1.879 1.00 0.99 H new ATOM 0 HD2 TYR A 22 14.905 -5.424 -1.244 1.00 1.28 H new ATOM 0 HE1 TYR A 22 13.630 -3.832 3.233 1.00 1.34 H new ATOM 0 HE2 TYR A 22 16.513 -4.156 0.112 1.00 1.72 H new ATOM 0 HH TYR A 22 16.908 -3.111 2.017 1.00 2.17 H new ATOM 318 N ARG A 23 11.259 -8.594 -2.207 1.00 0.48 N ATOM 319 CA ARG A 23 10.212 -9.214 -3.013 1.00 0.44 C ATOM 320 C ARG A 23 9.766 -10.538 -2.403 1.00 0.45 C ATOM 321 O ARG A 23 8.602 -10.704 -2.040 1.00 0.45 O ATOM 322 CB ARG A 23 10.702 -9.441 -4.445 1.00 0.45 C ATOM 323 CG ARG A 23 9.664 -10.088 -5.346 1.00 0.54 C ATOM 324 CD ARG A 23 8.373 -9.286 -5.367 1.00 0.53 C ATOM 325 NE ARG A 23 7.331 -9.938 -6.154 1.00 0.70 N ATOM 326 CZ ARG A 23 6.039 -9.645 -6.049 1.00 1.08 C ATOM 327 NH1 ARG A 23 5.634 -8.720 -5.191 1.00 1.57 N ATOM 328 NH2 ARG A 23 5.151 -10.277 -6.803 1.00 1.47 N ATOM 0 H ARG A 23 12.142 -8.455 -2.698 1.00 0.48 H new ATOM 0 HA ARG A 23 9.359 -8.536 -3.032 1.00 0.44 H new ATOM 0 HB2 ARG A 23 10.999 -8.484 -4.875 1.00 0.45 H new ATOM 0 HB3 ARG A 23 11.592 -10.069 -4.420 1.00 0.45 H new ATOM 0 HG2 ARG A 23 10.059 -10.171 -6.358 1.00 0.54 H new ATOM 0 HG3 ARG A 23 9.460 -11.101 -5.000 1.00 0.54 H new ATOM 0 HD2 ARG A 23 8.019 -9.144 -4.346 1.00 0.53 H new ATOM 0 HD3 ARG A 23 8.569 -8.295 -5.777 1.00 0.53 H new ATOM 0 HE ARG A 23 7.610 -10.658 -6.821 1.00 0.70 H new ATOM 0 HH11 ARG A 23 6.314 -8.231 -4.609 1.00 1.57 H new ATOM 0 HH12 ARG A 23 4.642 -8.497 -5.112 1.00 1.57 H new ATOM 0 HH21 ARG A 23 5.459 -10.989 -7.465 1.00 1.47 H new ATOM 0 HH22 ARG A 23 4.160 -10.051 -6.721 1.00 1.47 H new ATOM 339 N GLN A 24 10.698 -11.480 -2.294 1.00 0.49 N ATOM 340 CA GLN A 24 10.397 -12.791 -1.726 1.00 0.55 C ATOM 341 C GLN A 24 9.649 -12.651 -0.402 1.00 0.58 C ATOM 342 O GLN A 24 8.842 -13.507 -0.040 1.00 0.66 O ATOM 343 CB GLN A 24 11.686 -13.588 -1.514 1.00 0.69 C ATOM 344 CG GLN A 24 11.456 -14.971 -0.922 1.00 1.52 C ATOM 345 CD GLN A 24 10.468 -15.802 -1.722 1.00 2.03 C ATOM 346 OE1 GLN A 24 9.739 -16.622 -1.164 1.00 2.61 O ATOM 347 NE2 GLN A 24 10.444 -15.607 -3.036 1.00 2.69 N ATOM 0 H GLN A 24 11.667 -11.361 -2.591 1.00 0.49 H new ATOM 0 HA GLN A 24 9.759 -13.326 -2.430 1.00 0.55 H new ATOM 0 HB2 GLN A 24 12.201 -13.692 -2.469 1.00 0.69 H new ATOM 0 HB3 GLN A 24 12.347 -13.025 -0.855 1.00 0.69 H new ATOM 0 HG2 GLN A 24 12.408 -15.500 -0.868 1.00 1.52 H new ATOM 0 HG3 GLN A 24 11.091 -14.867 0.100 1.00 1.52 H new ATOM 0 HE21 GLN A 24 11.064 -14.918 -3.461 1.00 2.69 H new ATOM 0 HE22 GLN A 24 9.805 -16.147 -3.620 1.00 2.69 H new ATOM 354 N LYS A 25 9.922 -11.565 0.313 1.00 0.59 N ATOM 355 CA LYS A 25 9.274 -11.309 1.590 1.00 0.68 C ATOM 356 C LYS A 25 7.792 -11.001 1.395 1.00 0.61 C ATOM 357 O LYS A 25 6.963 -11.333 2.241 1.00 0.71 O ATOM 358 CB LYS A 25 9.957 -10.141 2.300 1.00 0.79 C ATOM 359 CG LYS A 25 9.716 -10.125 3.798 1.00 0.99 C ATOM 360 CD LYS A 25 10.458 -8.984 4.471 1.00 1.43 C ATOM 361 CE LYS A 25 9.964 -7.632 3.982 1.00 2.05 C ATOM 362 NZ LYS A 25 10.686 -6.507 4.637 1.00 2.59 N ATOM 0 H LYS A 25 10.589 -10.848 0.028 1.00 0.59 H new ATOM 0 HA LYS A 25 9.363 -12.205 2.204 1.00 0.68 H new ATOM 0 HB2 LYS A 25 11.030 -10.188 2.112 1.00 0.79 H new ATOM 0 HB3 LYS A 25 9.599 -9.205 1.871 1.00 0.79 H new ATOM 0 HG2 LYS A 25 8.648 -10.031 3.994 1.00 0.99 H new ATOM 0 HG3 LYS A 25 10.037 -11.073 4.229 1.00 0.99 H new ATOM 0 HD2 LYS A 25 10.328 -9.051 5.551 1.00 1.43 H new ATOM 0 HD3 LYS A 25 11.526 -9.076 4.272 1.00 1.43 H new ATOM 0 HE2 LYS A 25 10.094 -7.567 2.902 1.00 2.05 H new ATOM 0 HE3 LYS A 25 8.896 -7.542 4.180 1.00 2.05 H new ATOM 0 HZ1 LYS A 25 10.320 -5.603 4.276 1.00 2.59 H new ATOM 0 HZ2 LYS A 25 10.541 -6.554 5.666 1.00 2.59 H new ATOM 0 HZ3 LYS A 25 11.702 -6.577 4.427 1.00 2.59 H new ATOM 372 N LEU A 26 7.469 -10.362 0.274 1.00 0.55 N ATOM 373 CA LEU A 26 6.087 -10.010 -0.032 1.00 0.57 C ATOM 374 C LEU A 26 5.297 -11.241 -0.468 1.00 0.60 C ATOM 375 O LEU A 26 4.192 -11.485 0.018 1.00 0.68 O ATOM 376 CB LEU A 26 6.037 -8.946 -1.131 1.00 0.55 C ATOM 377 CG LEU A 26 6.682 -7.605 -0.771 1.00 0.69 C ATOM 378 CD1 LEU A 26 6.590 -6.639 -1.941 1.00 1.30 C ATOM 379 CD2 LEU A 26 6.022 -7.012 0.465 1.00 1.29 C ATOM 0 H LEU A 26 8.144 -10.078 -0.436 1.00 0.55 H new ATOM 0 HA LEU A 26 5.634 -9.608 0.874 1.00 0.57 H new ATOM 0 HB2 LEU A 26 6.530 -9.341 -2.019 1.00 0.55 H new ATOM 0 HB3 LEU A 26 4.995 -8.770 -1.397 1.00 0.55 H new ATOM 0 HG LEU A 26 7.735 -7.777 -0.550 1.00 0.69 H new ATOM 0 HD11 LEU A 26 7.053 -5.691 -1.667 1.00 1.30 H new ATOM 0 HD12 LEU A 26 7.108 -7.061 -2.803 1.00 1.30 H new ATOM 0 HD13 LEU A 26 5.543 -6.472 -2.193 1.00 1.30 H new ATOM 0 HD21 LEU A 26 6.493 -6.059 0.707 1.00 1.29 H new ATOM 0 HD22 LEU A 26 4.961 -6.854 0.271 1.00 1.29 H new ATOM 0 HD23 LEU A 26 6.139 -7.698 1.304 1.00 1.29 H new ATOM 390 N LEU A 27 5.871 -12.011 -1.387 1.00 0.59 N ATOM 391 CA LEU A 27 5.221 -13.216 -1.889 1.00 0.71 C ATOM 392 C LEU A 27 4.730 -14.093 -0.741 1.00 0.82 C ATOM 393 O LEU A 27 3.697 -14.753 -0.848 1.00 0.95 O ATOM 394 CB LEU A 27 6.182 -14.009 -2.775 1.00 0.75 C ATOM 395 CG LEU A 27 6.649 -13.279 -4.037 1.00 0.71 C ATOM 396 CD1 LEU A 27 7.552 -14.176 -4.871 1.00 0.82 C ATOM 397 CD2 LEU A 27 5.453 -12.816 -4.856 1.00 0.77 C ATOM 0 H LEU A 27 6.785 -11.822 -1.799 1.00 0.59 H new ATOM 0 HA LEU A 27 4.359 -12.910 -2.481 1.00 0.71 H new ATOM 0 HB2 LEU A 27 7.058 -14.279 -2.185 1.00 0.75 H new ATOM 0 HB3 LEU A 27 5.697 -14.939 -3.070 1.00 0.75 H new ATOM 0 HG LEU A 27 7.222 -12.402 -3.736 1.00 0.71 H new ATOM 0 HD11 LEU A 27 7.874 -13.640 -5.764 1.00 0.82 H new ATOM 0 HD12 LEU A 27 8.425 -14.460 -4.284 1.00 0.82 H new ATOM 0 HD13 LEU A 27 7.005 -15.072 -5.164 1.00 0.82 H new ATOM 0 HD21 LEU A 27 5.802 -12.299 -5.750 1.00 0.77 H new ATOM 0 HD22 LEU A 27 4.855 -13.680 -5.147 1.00 0.77 H new ATOM 0 HD23 LEU A 27 4.844 -12.137 -4.259 1.00 0.77 H new ATOM 408 N SER A 28 5.478 -14.093 0.359 1.00 0.84 N ATOM 409 CA SER A 28 5.117 -14.885 1.528 1.00 0.98 C ATOM 410 C SER A 28 3.688 -14.590 1.964 1.00 0.89 C ATOM 411 O SER A 28 2.982 -15.469 2.459 1.00 0.99 O ATOM 412 CB SER A 28 6.083 -14.600 2.681 1.00 1.15 C ATOM 413 OG SER A 28 5.758 -15.375 3.822 1.00 1.64 O ATOM 0 H SER A 28 6.337 -13.553 0.464 1.00 0.84 H new ATOM 0 HA SER A 28 5.185 -15.939 1.257 1.00 0.98 H new ATOM 0 HB2 SER A 28 7.104 -14.819 2.367 1.00 1.15 H new ATOM 0 HB3 SER A 28 6.048 -13.541 2.935 1.00 1.15 H new ATOM 0 HG SER A 28 6.390 -15.176 4.544 1.00 1.64 H new ATOM 418 N LEU A 29 3.264 -13.345 1.775 1.00 0.78 N ATOM 419 CA LEU A 29 1.916 -12.932 2.147 1.00 0.78 C ATOM 420 C LEU A 29 0.945 -13.140 0.987 1.00 0.74 C ATOM 421 O LEU A 29 -0.262 -13.262 1.193 1.00 0.82 O ATOM 422 CB LEU A 29 1.908 -11.466 2.581 1.00 0.86 C ATOM 423 CG LEU A 29 2.578 -11.182 3.927 1.00 1.06 C ATOM 424 CD1 LEU A 29 4.025 -11.650 3.916 1.00 1.64 C ATOM 425 CD2 LEU A 29 2.500 -9.699 4.255 1.00 1.42 C ATOM 0 H LEU A 29 3.834 -12.605 1.366 1.00 0.78 H new ATOM 0 HA LEU A 29 1.591 -13.550 2.984 1.00 0.78 H new ATOM 0 HB2 LEU A 29 2.406 -10.874 1.813 1.00 0.86 H new ATOM 0 HB3 LEU A 29 0.874 -11.123 2.628 1.00 0.86 H new ATOM 0 HG LEU A 29 2.046 -11.737 4.700 1.00 1.06 H new ATOM 0 HD11 LEU A 29 4.483 -11.439 4.882 1.00 1.64 H new ATOM 0 HD12 LEU A 29 4.059 -12.723 3.725 1.00 1.64 H new ATOM 0 HD13 LEU A 29 4.571 -11.125 3.133 1.00 1.64 H new ATOM 0 HD21 LEU A 29 2.981 -9.513 5.215 1.00 1.42 H new ATOM 0 HD22 LEU A 29 3.008 -9.127 3.478 1.00 1.42 H new ATOM 0 HD23 LEU A 29 1.455 -9.392 4.307 1.00 1.42 H new ATOM 436 N GLY A 30 1.479 -13.180 -0.229 1.00 0.68 N ATOM 437 CA GLY A 30 0.644 -13.377 -1.400 1.00 0.73 C ATOM 438 C GLY A 30 0.162 -12.068 -1.996 1.00 0.71 C ATOM 439 O GLY A 30 -0.857 -12.032 -2.685 1.00 0.82 O ATOM 0 H GLY A 30 2.475 -13.080 -0.425 1.00 0.68 H new ATOM 0 HA2 GLY A 30 1.205 -13.931 -2.153 1.00 0.73 H new ATOM 0 HA3 GLY A 30 -0.217 -13.988 -1.130 1.00 0.73 H new ATOM 443 N MET A 31 0.897 -10.992 -1.733 1.00 0.63 N ATOM 444 CA MET A 31 0.536 -9.679 -2.252 1.00 0.66 C ATOM 445 C MET A 31 1.392 -9.322 -3.461 1.00 0.56 C ATOM 446 O MET A 31 2.473 -8.749 -3.322 1.00 0.54 O ATOM 447 CB MET A 31 0.696 -8.612 -1.166 1.00 0.74 C ATOM 448 CG MET A 31 -0.016 -8.952 0.132 1.00 0.94 C ATOM 449 SD MET A 31 0.187 -7.672 1.386 1.00 1.95 S ATOM 450 CE MET A 31 1.973 -7.571 1.481 1.00 2.55 C ATOM 0 H MET A 31 1.744 -11.004 -1.165 1.00 0.63 H new ATOM 0 HA MET A 31 -0.508 -9.714 -2.563 1.00 0.66 H new ATOM 0 HB2 MET A 31 1.757 -8.470 -0.962 1.00 0.74 H new ATOM 0 HB3 MET A 31 0.314 -7.663 -1.542 1.00 0.74 H new ATOM 0 HG2 MET A 31 -1.078 -9.096 -0.067 1.00 0.94 H new ATOM 0 HG3 MET A 31 0.368 -9.897 0.516 1.00 0.94 H new ATOM 0 HE1 MET A 31 2.264 -7.192 2.460 1.00 2.55 H new ATOM 0 HE2 MET A 31 2.402 -8.562 1.334 1.00 2.55 H new ATOM 0 HE3 MET A 31 2.341 -6.898 0.707 1.00 2.55 H new ATOM 458 N LEU A 32 0.906 -9.672 -4.647 1.00 0.56 N ATOM 459 CA LEU A 32 1.628 -9.387 -5.881 1.00 0.49 C ATOM 460 C LEU A 32 1.187 -8.052 -6.473 1.00 0.44 C ATOM 461 O LEU A 32 0.105 -7.554 -6.162 1.00 0.45 O ATOM 462 CB LEU A 32 1.401 -10.508 -6.900 1.00 0.52 C ATOM 463 CG LEU A 32 2.062 -11.845 -6.556 1.00 0.59 C ATOM 464 CD1 LEU A 32 1.473 -12.424 -5.280 1.00 0.69 C ATOM 465 CD2 LEU A 32 1.904 -12.826 -7.709 1.00 0.66 C ATOM 0 H LEU A 32 0.016 -10.153 -4.780 1.00 0.56 H new ATOM 0 HA LEU A 32 2.691 -9.328 -5.645 1.00 0.49 H new ATOM 0 HB2 LEU A 32 0.328 -10.668 -7.007 1.00 0.52 H new ATOM 0 HB3 LEU A 32 1.772 -10.176 -7.870 1.00 0.52 H new ATOM 0 HG LEU A 32 3.125 -11.670 -6.392 1.00 0.59 H new ATOM 0 HD11 LEU A 32 1.957 -13.374 -5.054 1.00 0.69 H new ATOM 0 HD12 LEU A 32 1.636 -11.729 -4.456 1.00 0.69 H new ATOM 0 HD13 LEU A 32 0.403 -12.585 -5.413 1.00 0.69 H new ATOM 0 HD21 LEU A 32 2.379 -13.772 -7.449 1.00 0.66 H new ATOM 0 HD22 LEU A 32 0.844 -12.993 -7.902 1.00 0.66 H new ATOM 0 HD23 LEU A 32 2.375 -12.416 -8.602 1.00 0.66 H new ATOM 476 N PRO A 33 2.022 -7.453 -7.337 1.00 0.41 N ATOM 477 CA PRO A 33 1.713 -6.175 -7.974 1.00 0.40 C ATOM 478 C PRO A 33 0.268 -6.106 -8.455 1.00 0.38 C ATOM 479 O PRO A 33 -0.101 -6.746 -9.439 1.00 0.51 O ATOM 480 CB PRO A 33 2.679 -6.140 -9.156 1.00 0.43 C ATOM 481 CG PRO A 33 3.866 -6.908 -8.685 1.00 0.45 C ATOM 482 CD PRO A 33 3.335 -7.978 -7.763 1.00 0.43 C ATOM 0 HA PRO A 33 1.821 -5.332 -7.291 1.00 0.40 H new ATOM 0 HB2 PRO A 33 2.238 -6.594 -10.043 1.00 0.43 H new ATOM 0 HB3 PRO A 33 2.947 -5.117 -9.421 1.00 0.43 H new ATOM 0 HG2 PRO A 33 4.403 -7.349 -9.525 1.00 0.45 H new ATOM 0 HG3 PRO A 33 4.569 -6.258 -8.163 1.00 0.45 H new ATOM 0 HD2 PRO A 33 3.237 -8.935 -8.275 1.00 0.43 H new ATOM 0 HD3 PRO A 33 3.997 -8.138 -6.912 1.00 0.43 H new ATOM 487 N GLY A 34 -0.547 -5.331 -7.748 1.00 0.34 N ATOM 488 CA GLY A 34 -1.943 -5.194 -8.113 1.00 0.33 C ATOM 489 C GLY A 34 -2.879 -5.596 -6.987 1.00 0.31 C ATOM 490 O GLY A 34 -3.964 -6.122 -7.232 1.00 0.40 O ATOM 0 H GLY A 34 -0.264 -4.795 -6.928 1.00 0.34 H new ATOM 0 HA2 GLY A 34 -2.142 -4.160 -8.395 1.00 0.33 H new ATOM 0 HA3 GLY A 34 -2.148 -5.809 -8.989 1.00 0.33 H new ATOM 494 N SER A 35 -2.457 -5.347 -5.751 1.00 0.28 N ATOM 495 CA SER A 35 -3.265 -5.686 -4.585 1.00 0.28 C ATOM 496 C SER A 35 -3.844 -4.429 -3.942 1.00 0.28 C ATOM 497 O SER A 35 -3.492 -3.311 -4.315 1.00 0.37 O ATOM 498 CB SER A 35 -2.426 -6.458 -3.564 1.00 0.31 C ATOM 499 OG SER A 35 -3.201 -6.812 -2.432 1.00 0.62 O ATOM 0 H SER A 35 -1.561 -4.912 -5.531 1.00 0.28 H new ATOM 0 HA SER A 35 -4.091 -6.316 -4.915 1.00 0.28 H new ATOM 0 HB2 SER A 35 -2.021 -7.358 -4.027 1.00 0.31 H new ATOM 0 HB3 SER A 35 -1.577 -5.850 -3.252 1.00 0.31 H new ATOM 0 HG SER A 35 -2.643 -7.306 -1.795 1.00 0.62 H new ATOM 504 N SER A 36 -4.733 -4.623 -2.974 1.00 0.25 N ATOM 505 CA SER A 36 -5.362 -3.506 -2.279 1.00 0.25 C ATOM 506 C SER A 36 -4.980 -3.496 -0.801 1.00 0.23 C ATOM 507 O SER A 36 -4.801 -4.550 -0.190 1.00 0.28 O ATOM 508 CB SER A 36 -6.884 -3.581 -2.422 1.00 0.30 C ATOM 509 OG SER A 36 -7.514 -2.497 -1.762 1.00 1.30 O ATOM 0 H SER A 36 -5.034 -5.543 -2.653 1.00 0.25 H new ATOM 0 HA SER A 36 -5.005 -2.582 -2.734 1.00 0.25 H new ATOM 0 HB2 SER A 36 -7.154 -3.574 -3.478 1.00 0.30 H new ATOM 0 HB3 SER A 36 -7.245 -4.522 -2.007 1.00 0.30 H new ATOM 0 HG SER A 36 -8.485 -2.568 -1.870 1.00 1.30 H new ATOM 514 N PHE A 37 -4.856 -2.300 -0.232 1.00 0.22 N ATOM 515 CA PHE A 37 -4.496 -2.158 1.173 1.00 0.23 C ATOM 516 C PHE A 37 -4.941 -0.805 1.718 1.00 0.23 C ATOM 517 O PHE A 37 -5.177 0.134 0.957 1.00 0.33 O ATOM 518 CB PHE A 37 -2.985 -2.316 1.351 1.00 0.25 C ATOM 519 CG PHE A 37 -2.191 -1.166 0.801 1.00 0.26 C ATOM 520 CD1 PHE A 37 -2.034 -1.005 -0.567 1.00 0.32 C ATOM 521 CD2 PHE A 37 -1.602 -0.244 1.651 1.00 0.27 C ATOM 522 CE1 PHE A 37 -1.305 0.051 -1.076 1.00 0.36 C ATOM 523 CE2 PHE A 37 -0.871 0.816 1.148 1.00 0.30 C ATOM 524 CZ PHE A 37 -0.723 0.964 -0.217 1.00 0.33 C ATOM 0 H PHE A 37 -5.000 -1.417 -0.723 1.00 0.22 H new ATOM 0 HA PHE A 37 -5.008 -2.941 1.732 1.00 0.23 H new ATOM 0 HB2 PHE A 37 -2.762 -2.426 2.412 1.00 0.25 H new ATOM 0 HB3 PHE A 37 -2.664 -3.235 0.861 1.00 0.25 H new ATOM 0 HD1 PHE A 37 -2.488 -1.715 -1.243 1.00 0.32 H new ATOM 0 HD2 PHE A 37 -1.715 -0.355 2.719 1.00 0.27 H new ATOM 0 HE1 PHE A 37 -1.190 0.164 -2.144 1.00 0.36 H new ATOM 0 HE2 PHE A 37 -0.416 1.527 1.822 1.00 0.30 H new ATOM 0 HZ PHE A 37 -0.153 1.792 -0.613 1.00 0.33 H new ATOM 533 N HIS A 38 -5.054 -0.712 3.039 1.00 0.21 N ATOM 534 CA HIS A 38 -5.469 0.528 3.687 1.00 0.24 C ATOM 535 C HIS A 38 -4.298 1.165 4.432 1.00 0.24 C ATOM 536 O HIS A 38 -3.386 0.471 4.883 1.00 0.40 O ATOM 537 CB HIS A 38 -6.624 0.264 4.655 1.00 0.28 C ATOM 538 CG HIS A 38 -7.126 1.497 5.338 1.00 1.17 C ATOM 539 ND1 HIS A 38 -7.037 1.691 6.700 1.00 2.13 N ATOM 540 CD2 HIS A 38 -7.730 2.601 4.841 1.00 1.98 C ATOM 541 CE1 HIS A 38 -7.566 2.861 7.012 1.00 2.94 C ATOM 542 NE2 HIS A 38 -7.993 3.434 5.901 1.00 2.82 N ATOM 0 H HIS A 38 -4.864 -1.480 3.682 1.00 0.21 H new ATOM 0 HA HIS A 38 -5.807 1.219 2.915 1.00 0.24 H new ATOM 0 HB2 HIS A 38 -7.446 -0.199 4.109 1.00 0.28 H new ATOM 0 HB3 HIS A 38 -6.298 -0.452 5.409 1.00 0.28 H new ATOM 0 HD1 HIS A 38 -6.627 1.034 7.363 1.00 2.13 H new ATOM 0 HD2 HIS A 38 -7.962 2.792 3.804 1.00 1.98 H new ATOM 0 HE1 HIS A 38 -7.637 3.278 8.006 1.00 2.94 H new ATOM 550 N VAL A 39 -4.329 2.489 4.558 1.00 0.27 N ATOM 551 CA VAL A 39 -3.267 3.215 5.246 1.00 0.27 C ATOM 552 C VAL A 39 -3.562 3.343 6.737 1.00 0.28 C ATOM 553 O VAL A 39 -4.704 3.565 7.139 1.00 0.40 O ATOM 554 CB VAL A 39 -3.069 4.622 4.650 1.00 0.39 C ATOM 555 CG1 VAL A 39 -1.948 5.359 5.371 1.00 1.28 C ATOM 556 CG2 VAL A 39 -2.784 4.534 3.158 1.00 0.88 C ATOM 0 H VAL A 39 -5.077 3.079 4.193 1.00 0.27 H new ATOM 0 HA VAL A 39 -2.352 2.639 5.109 1.00 0.27 H new ATOM 0 HB VAL A 39 -3.991 5.187 4.790 1.00 0.39 H new ATOM 0 HG11 VAL A 39 -1.825 6.350 4.935 1.00 1.28 H new ATOM 0 HG12 VAL A 39 -2.197 5.456 6.428 1.00 1.28 H new ATOM 0 HG13 VAL A 39 -1.019 4.799 5.267 1.00 1.28 H new ATOM 0 HG21 VAL A 39 -2.647 5.537 2.754 1.00 0.88 H new ATOM 0 HG22 VAL A 39 -1.878 3.950 2.994 1.00 0.88 H new ATOM 0 HG23 VAL A 39 -3.622 4.052 2.655 1.00 0.88 H new ATOM 566 N VAL A 40 -2.522 3.200 7.554 1.00 0.24 N ATOM 567 CA VAL A 40 -2.668 3.298 9.001 1.00 0.34 C ATOM 568 C VAL A 40 -2.160 4.639 9.523 1.00 0.37 C ATOM 569 O VAL A 40 -2.867 5.343 10.244 1.00 0.54 O ATOM 570 CB VAL A 40 -1.913 2.162 9.715 1.00 0.41 C ATOM 571 CG1 VAL A 40 -2.079 2.269 11.222 1.00 0.54 C ATOM 572 CG2 VAL A 40 -2.391 0.808 9.213 1.00 0.43 C ATOM 0 H VAL A 40 -1.570 3.016 7.238 1.00 0.24 H new ATOM 0 HA VAL A 40 -3.733 3.213 9.217 1.00 0.34 H new ATOM 0 HB VAL A 40 -0.852 2.257 9.485 1.00 0.41 H new ATOM 0 HG11 VAL A 40 -1.537 1.456 11.706 1.00 0.54 H new ATOM 0 HG12 VAL A 40 -1.682 3.225 11.565 1.00 0.54 H new ATOM 0 HG13 VAL A 40 -3.137 2.203 11.477 1.00 0.54 H new ATOM 0 HG21 VAL A 40 -1.847 0.016 9.728 1.00 0.43 H new ATOM 0 HG22 VAL A 40 -3.458 0.703 9.410 1.00 0.43 H new ATOM 0 HG23 VAL A 40 -2.211 0.733 8.141 1.00 0.43 H new ATOM 582 N ARG A 41 -0.931 4.987 9.156 1.00 0.27 N ATOM 583 CA ARG A 41 -0.332 6.245 9.592 1.00 0.31 C ATOM 584 C ARG A 41 0.750 6.703 8.620 1.00 0.31 C ATOM 585 O ARG A 41 1.653 5.941 8.276 1.00 0.40 O ATOM 586 CB ARG A 41 0.263 6.089 10.992 1.00 0.40 C ATOM 587 CG ARG A 41 1.345 5.023 11.076 1.00 0.47 C ATOM 588 CD ARG A 41 1.887 4.889 12.491 1.00 0.57 C ATOM 589 NE ARG A 41 0.845 4.510 13.441 1.00 1.37 N ATOM 590 CZ ARG A 41 1.070 4.304 14.735 1.00 1.62 C ATOM 591 NH1 ARG A 41 2.294 4.438 15.228 1.00 0.94 N ATOM 592 NH2 ARG A 41 0.071 3.963 15.537 1.00 2.80 N ATOM 0 H ARG A 41 -0.331 4.418 8.559 1.00 0.27 H new ATOM 0 HA ARG A 41 -1.117 7.001 9.615 1.00 0.31 H new ATOM 0 HB2 ARG A 41 0.680 7.045 11.309 1.00 0.40 H new ATOM 0 HB3 ARG A 41 -0.535 5.841 11.692 1.00 0.40 H new ATOM 0 HG2 ARG A 41 0.940 4.066 10.748 1.00 0.47 H new ATOM 0 HG3 ARG A 41 2.159 5.275 10.396 1.00 0.47 H new ATOM 0 HD2 ARG A 41 2.681 4.142 12.506 1.00 0.57 H new ATOM 0 HD3 ARG A 41 2.333 5.834 12.800 1.00 0.57 H new ATOM 0 HE ARG A 41 -0.107 4.397 13.093 1.00 1.37 H new ATOM 0 HH11 ARG A 41 3.065 4.700 14.614 1.00 0.94 H new ATOM 0 HH12 ARG A 41 2.464 4.279 16.221 1.00 0.94 H new ATOM 0 HH21 ARG A 41 -0.872 3.858 15.161 1.00 2.80 H new ATOM 0 HH22 ARG A 41 0.245 3.805 16.530 1.00 2.80 H new ATOM 603 N VAL A 42 0.660 7.957 8.186 1.00 0.33 N ATOM 604 CA VAL A 42 1.635 8.510 7.256 1.00 0.39 C ATOM 605 C VAL A 42 1.926 9.975 7.568 1.00 0.43 C ATOM 606 O VAL A 42 1.132 10.650 8.223 1.00 0.49 O ATOM 607 CB VAL A 42 1.153 8.393 5.800 1.00 0.52 C ATOM 608 CG1 VAL A 42 2.283 8.718 4.837 1.00 0.97 C ATOM 609 CG2 VAL A 42 0.601 7.003 5.530 1.00 1.20 C ATOM 0 H VAL A 42 -0.076 8.606 8.463 1.00 0.33 H new ATOM 0 HA VAL A 42 2.549 7.928 7.376 1.00 0.39 H new ATOM 0 HB VAL A 42 0.351 9.115 5.644 1.00 0.52 H new ATOM 0 HG11 VAL A 42 1.924 8.630 3.812 1.00 0.97 H new ATOM 0 HG12 VAL A 42 2.630 9.736 5.014 1.00 0.97 H new ATOM 0 HG13 VAL A 42 3.106 8.021 4.994 1.00 0.97 H new ATOM 0 HG21 VAL A 42 0.265 6.940 4.495 1.00 1.20 H new ATOM 0 HG22 VAL A 42 1.381 6.262 5.704 1.00 1.20 H new ATOM 0 HG23 VAL A 42 -0.239 6.809 6.197 1.00 1.20 H new ATOM 619 N ALA A 43 3.069 10.458 7.095 1.00 0.47 N ATOM 620 CA ALA A 43 3.469 11.841 7.323 1.00 0.55 C ATOM 621 C ALA A 43 3.862 12.520 6.012 1.00 0.69 C ATOM 622 O ALA A 43 4.428 11.886 5.122 1.00 0.81 O ATOM 623 CB ALA A 43 4.622 11.898 8.315 1.00 0.55 C ATOM 0 H ALA A 43 3.736 9.911 6.550 1.00 0.47 H new ATOM 0 HA ALA A 43 2.617 12.378 7.740 1.00 0.55 H new ATOM 0 HB1 ALA A 43 4.912 12.936 8.477 1.00 0.55 H new ATOM 0 HB2 ALA A 43 4.310 11.457 9.261 1.00 0.55 H new ATOM 0 HB3 ALA A 43 5.471 11.342 7.918 1.00 0.55 H new ATOM 629 N PRO A 44 3.567 13.825 5.879 1.00 0.83 N ATOM 630 CA PRO A 44 3.892 14.589 4.669 1.00 1.00 C ATOM 631 C PRO A 44 5.398 14.701 4.436 1.00 0.98 C ATOM 632 O PRO A 44 5.840 15.025 3.334 1.00 1.15 O ATOM 633 CB PRO A 44 3.285 15.971 4.935 1.00 1.14 C ATOM 634 CG PRO A 44 3.160 16.058 6.418 1.00 1.34 C ATOM 635 CD PRO A 44 2.895 14.657 6.892 1.00 1.00 C ATOM 0 HA PRO A 44 3.502 14.107 3.772 1.00 1.00 H new ATOM 0 HB2 PRO A 44 3.923 16.764 4.545 1.00 1.14 H new ATOM 0 HB3 PRO A 44 2.314 16.076 4.450 1.00 1.14 H new ATOM 0 HG2 PRO A 44 4.072 16.455 6.864 1.00 1.34 H new ATOM 0 HG3 PRO A 44 2.348 16.727 6.703 1.00 1.34 H new ATOM 0 HD2 PRO A 44 3.302 14.485 7.888 1.00 1.00 H new ATOM 0 HD3 PRO A 44 1.827 14.445 6.943 1.00 1.00 H new ATOM 640 N LEU A 45 6.181 14.430 5.478 1.00 0.85 N ATOM 641 CA LEU A 45 7.636 14.498 5.379 1.00 0.90 C ATOM 642 C LEU A 45 8.218 13.153 4.954 1.00 0.91 C ATOM 643 O LEU A 45 8.721 13.006 3.840 1.00 1.23 O ATOM 644 CB LEU A 45 8.245 14.927 6.716 1.00 0.90 C ATOM 645 CG LEU A 45 7.977 16.378 7.122 1.00 1.76 C ATOM 646 CD1 LEU A 45 8.587 17.336 6.110 1.00 2.51 C ATOM 647 CD2 LEU A 45 6.483 16.628 7.257 1.00 2.25 C ATOM 0 H LEU A 45 5.833 14.162 6.398 1.00 0.85 H new ATOM 0 HA LEU A 45 7.885 15.240 4.620 1.00 0.90 H new ATOM 0 HB2 LEU A 45 7.861 14.272 7.498 1.00 0.90 H new ATOM 0 HB3 LEU A 45 9.323 14.773 6.671 1.00 0.90 H new ATOM 0 HG LEU A 45 8.444 16.555 8.091 1.00 1.76 H new ATOM 0 HD11 LEU A 45 8.387 18.363 6.415 1.00 2.51 H new ATOM 0 HD12 LEU A 45 9.664 17.176 6.061 1.00 2.51 H new ATOM 0 HD13 LEU A 45 8.148 17.157 5.129 1.00 2.51 H new ATOM 0 HD21 LEU A 45 6.312 17.665 7.546 1.00 2.25 H new ATOM 0 HD22 LEU A 45 5.994 16.432 6.303 1.00 2.25 H new ATOM 0 HD23 LEU A 45 6.071 15.966 8.019 1.00 2.25 H new ATOM 658 N GLY A 46 8.143 12.174 5.851 1.00 0.72 N ATOM 659 CA GLY A 46 8.667 10.853 5.552 1.00 0.72 C ATOM 660 C GLY A 46 8.853 10.010 6.800 1.00 0.66 C ATOM 661 O GLY A 46 9.890 10.085 7.460 1.00 0.77 O ATOM 0 H GLY A 46 7.729 12.272 6.778 1.00 0.72 H new ATOM 0 HA2 GLY A 46 7.989 10.342 4.869 1.00 0.72 H new ATOM 0 HA3 GLY A 46 9.623 10.952 5.037 1.00 0.72 H new ATOM 665 N ASP A 47 7.846 9.203 7.122 1.00 0.53 N ATOM 666 CA ASP A 47 7.899 8.348 8.303 1.00 0.49 C ATOM 667 C ASP A 47 7.500 6.914 7.951 1.00 0.46 C ATOM 668 O ASP A 47 7.160 6.624 6.803 1.00 0.46 O ATOM 669 CB ASP A 47 6.980 8.922 9.393 1.00 0.45 C ATOM 670 CG ASP A 47 5.510 8.654 9.126 1.00 0.78 C ATOM 671 OD1 ASP A 47 4.979 9.190 8.130 1.00 0.94 O ATOM 672 OD2 ASP A 47 4.891 7.911 9.914 1.00 1.07 O ATOM 0 H ASP A 47 6.984 9.123 6.582 1.00 0.53 H new ATOM 0 HA ASP A 47 8.921 8.323 8.680 1.00 0.49 H new ATOM 0 HB2 ASP A 47 7.254 8.491 10.356 1.00 0.45 H new ATOM 0 HB3 ASP A 47 7.141 9.998 9.468 1.00 0.45 H new ATOM 676 N PRO A 48 7.539 5.993 8.930 1.00 0.47 N ATOM 677 CA PRO A 48 7.175 4.597 8.720 1.00 0.47 C ATOM 678 C PRO A 48 5.670 4.387 8.837 1.00 0.37 C ATOM 679 O PRO A 48 5.076 4.627 9.887 1.00 0.38 O ATOM 680 CB PRO A 48 7.909 3.854 9.849 1.00 0.56 C ATOM 681 CG PRO A 48 8.604 4.904 10.665 1.00 0.61 C ATOM 682 CD PRO A 48 7.973 6.219 10.307 1.00 0.53 C ATOM 0 HA PRO A 48 7.447 4.246 7.724 1.00 0.47 H new ATOM 0 HB2 PRO A 48 7.207 3.287 10.461 1.00 0.56 H new ATOM 0 HB3 PRO A 48 8.626 3.140 9.443 1.00 0.56 H new ATOM 0 HG2 PRO A 48 8.496 4.700 11.730 1.00 0.61 H new ATOM 0 HG3 PRO A 48 9.672 4.917 10.450 1.00 0.61 H new ATOM 0 HD2 PRO A 48 7.136 6.460 10.963 1.00 0.53 H new ATOM 0 HD3 PRO A 48 8.682 7.043 10.379 1.00 0.53 H new ATOM 687 N VAL A 49 5.063 3.936 7.745 1.00 0.32 N ATOM 688 CA VAL A 49 3.625 3.705 7.705 1.00 0.26 C ATOM 689 C VAL A 49 3.302 2.210 7.719 1.00 0.28 C ATOM 690 O VAL A 49 4.132 1.377 7.357 1.00 0.39 O ATOM 691 CB VAL A 49 3.003 4.371 6.451 1.00 0.27 C ATOM 692 CG1 VAL A 49 3.842 4.068 5.219 1.00 0.35 C ATOM 693 CG2 VAL A 49 1.554 3.936 6.238 1.00 0.31 C ATOM 0 H VAL A 49 5.547 3.723 6.873 1.00 0.32 H new ATOM 0 HA VAL A 49 3.192 4.155 8.598 1.00 0.26 H new ATOM 0 HB VAL A 49 2.998 5.448 6.617 1.00 0.27 H new ATOM 0 HG11 VAL A 49 3.392 4.542 4.347 1.00 0.35 H new ATOM 0 HG12 VAL A 49 4.851 4.454 5.362 1.00 0.35 H new ATOM 0 HG13 VAL A 49 3.885 2.990 5.064 1.00 0.35 H new ATOM 0 HG21 VAL A 49 1.154 4.425 5.349 1.00 0.31 H new ATOM 0 HG22 VAL A 49 1.514 2.855 6.106 1.00 0.31 H new ATOM 0 HG23 VAL A 49 0.958 4.218 7.106 1.00 0.31 H new ATOM 703 N HIS A 50 2.083 1.888 8.146 1.00 0.29 N ATOM 704 CA HIS A 50 1.631 0.503 8.211 1.00 0.31 C ATOM 705 C HIS A 50 0.442 0.286 7.281 1.00 0.29 C ATOM 706 O HIS A 50 -0.394 1.174 7.112 1.00 0.31 O ATOM 707 CB HIS A 50 1.241 0.136 9.644 1.00 0.34 C ATOM 708 CG HIS A 50 2.374 0.229 10.617 1.00 0.37 C ATOM 709 ND1 HIS A 50 2.914 -0.869 11.254 1.00 1.13 N ATOM 710 CD2 HIS A 50 3.072 1.302 11.066 1.00 1.08 C ATOM 711 CE1 HIS A 50 3.893 -0.477 12.050 1.00 0.85 C ATOM 712 NE2 HIS A 50 4.009 0.835 11.953 1.00 0.68 N ATOM 0 H HIS A 50 1.390 2.571 8.453 1.00 0.29 H new ATOM 0 HA HIS A 50 2.451 -0.140 7.891 1.00 0.31 H new ATOM 0 HB2 HIS A 50 0.437 0.794 9.972 1.00 0.34 H new ATOM 0 HB3 HIS A 50 0.846 -0.880 9.655 1.00 0.34 H new ATOM 0 HD2 HIS A 50 2.919 2.332 10.779 1.00 1.08 H new ATOM 0 HE1 HIS A 50 4.496 -1.120 12.674 1.00 0.85 H new ATOM 0 HE2 HIS A 50 4.686 1.409 12.456 1.00 0.68 H new ATOM 720 N ILE A 51 0.373 -0.898 6.682 1.00 0.32 N ATOM 721 CA ILE A 51 -0.712 -1.227 5.768 1.00 0.32 C ATOM 722 C ILE A 51 -1.587 -2.340 6.329 1.00 0.32 C ATOM 723 O ILE A 51 -1.084 -3.341 6.842 1.00 0.31 O ATOM 724 CB ILE A 51 -0.177 -1.656 4.389 1.00 0.34 C ATOM 725 CG1 ILE A 51 0.701 -2.902 4.522 1.00 0.34 C ATOM 726 CG2 ILE A 51 0.600 -0.520 3.744 1.00 0.36 C ATOM 727 CD1 ILE A 51 1.318 -3.349 3.214 1.00 0.36 C ATOM 0 H ILE A 51 1.056 -1.645 6.814 1.00 0.32 H new ATOM 0 HA ILE A 51 -1.310 -0.323 5.652 1.00 0.32 H new ATOM 0 HB ILE A 51 -1.024 -1.899 3.748 1.00 0.34 H new ATOM 0 HG12 ILE A 51 1.496 -2.701 5.240 1.00 0.34 H new ATOM 0 HG13 ILE A 51 0.102 -3.717 4.929 1.00 0.34 H new ATOM 0 HG21 ILE A 51 0.971 -0.840 2.770 1.00 0.36 H new ATOM 0 HG22 ILE A 51 -0.054 0.343 3.618 1.00 0.36 H new ATOM 0 HG23 ILE A 51 1.441 -0.247 4.381 1.00 0.36 H new ATOM 0 HD11 ILE A 51 1.927 -4.237 3.384 1.00 0.36 H new ATOM 0 HD12 ILE A 51 0.528 -3.582 2.500 1.00 0.36 H new ATOM 0 HD13 ILE A 51 1.944 -2.551 2.815 1.00 0.36 H new ATOM 738 N GLU A 52 -2.898 -2.160 6.230 1.00 0.36 N ATOM 739 CA GLU A 52 -3.846 -3.151 6.724 1.00 0.39 C ATOM 740 C GLU A 52 -4.504 -3.891 5.564 1.00 0.42 C ATOM 741 O GLU A 52 -5.267 -3.305 4.794 1.00 0.43 O ATOM 742 CB GLU A 52 -4.913 -2.484 7.591 1.00 0.45 C ATOM 743 CG GLU A 52 -5.861 -3.468 8.256 1.00 1.01 C ATOM 744 CD GLU A 52 -5.151 -4.389 9.232 1.00 1.46 C ATOM 745 OE1 GLU A 52 -4.600 -5.417 8.784 1.00 2.13 O ATOM 746 OE2 GLU A 52 -5.147 -4.082 10.441 1.00 1.91 O ATOM 0 H GLU A 52 -3.330 -1.336 5.812 1.00 0.36 H new ATOM 0 HA GLU A 52 -3.299 -3.872 7.332 1.00 0.39 H new ATOM 0 HB2 GLU A 52 -4.423 -1.888 8.361 1.00 0.45 H new ATOM 0 HB3 GLU A 52 -5.491 -1.795 6.975 1.00 0.45 H new ATOM 0 HG2 GLU A 52 -6.641 -2.917 8.782 1.00 1.01 H new ATOM 0 HG3 GLU A 52 -6.355 -4.066 7.490 1.00 1.01 H new ATOM 751 N THR A 53 -4.198 -5.179 5.439 1.00 0.52 N ATOM 752 CA THR A 53 -4.758 -5.997 4.370 1.00 0.58 C ATOM 753 C THR A 53 -5.597 -7.137 4.933 1.00 0.61 C ATOM 754 O THR A 53 -5.824 -7.219 6.141 1.00 0.60 O ATOM 755 CB THR A 53 -3.651 -6.579 3.470 1.00 0.59 C ATOM 756 OG1 THR A 53 -2.819 -7.466 4.227 1.00 0.55 O ATOM 757 CG2 THR A 53 -2.802 -5.471 2.871 1.00 0.64 C ATOM 0 H THR A 53 -3.566 -5.678 6.065 1.00 0.52 H new ATOM 0 HA THR A 53 -5.395 -5.345 3.772 1.00 0.58 H new ATOM 0 HB THR A 53 -4.127 -7.130 2.659 1.00 0.59 H new ATOM 0 HG1 THR A 53 -2.949 -7.299 5.184 1.00 0.55 H new ATOM 0 HG21 THR A 53 -2.028 -5.907 2.240 1.00 0.64 H new ATOM 0 HG22 THR A 53 -3.432 -4.814 2.271 1.00 0.64 H new ATOM 0 HG23 THR A 53 -2.337 -4.896 3.672 1.00 0.64 H new ATOM 765 N ARG A 54 -6.057 -8.018 4.051 1.00 0.68 N ATOM 766 CA ARG A 54 -6.875 -9.155 4.455 1.00 0.73 C ATOM 767 C ARG A 54 -6.224 -9.927 5.599 1.00 0.67 C ATOM 768 O ARG A 54 -5.397 -10.812 5.373 1.00 0.69 O ATOM 769 CB ARG A 54 -7.110 -10.087 3.264 1.00 0.84 C ATOM 770 CG ARG A 54 -7.810 -9.416 2.095 1.00 1.47 C ATOM 771 CD ARG A 54 -9.169 -8.867 2.500 1.00 1.53 C ATOM 772 NE ARG A 54 -9.864 -8.243 1.378 1.00 2.10 N ATOM 773 CZ ARG A 54 -11.164 -7.968 1.378 1.00 2.32 C ATOM 774 NH1 ARG A 54 -11.904 -8.246 2.444 1.00 1.97 N ATOM 775 NH2 ARG A 54 -11.728 -7.413 0.314 1.00 3.04 N ATOM 0 H ARG A 54 -5.876 -7.966 3.049 1.00 0.68 H new ATOM 0 HA ARG A 54 -7.833 -8.771 4.806 1.00 0.73 H new ATOM 0 HB2 ARG A 54 -6.151 -10.479 2.926 1.00 0.84 H new ATOM 0 HB3 ARG A 54 -7.705 -10.939 3.592 1.00 0.84 H new ATOM 0 HG2 ARG A 54 -7.188 -8.606 1.713 1.00 1.47 H new ATOM 0 HG3 ARG A 54 -7.933 -10.133 1.283 1.00 1.47 H new ATOM 0 HD2 ARG A 54 -9.781 -9.675 2.902 1.00 1.53 H new ATOM 0 HD3 ARG A 54 -9.041 -8.136 3.299 1.00 1.53 H new ATOM 0 HE ARG A 54 -9.321 -8.005 0.548 1.00 2.10 H new ATOM 0 HH11 ARG A 54 -11.475 -8.672 3.266 1.00 1.97 H new ATOM 0 HH12 ARG A 54 -12.902 -8.034 2.442 1.00 1.97 H new ATOM 0 HH21 ARG A 54 -11.164 -7.196 -0.508 1.00 3.04 H new ATOM 0 HH22 ARG A 54 -12.726 -7.203 0.317 1.00 3.04 H new ATOM 786 N ARG A 55 -6.603 -9.585 6.825 1.00 0.66 N ATOM 787 CA ARG A 55 -6.070 -10.243 8.010 1.00 0.66 C ATOM 788 C ARG A 55 -4.546 -10.295 7.985 1.00 0.62 C ATOM 789 O ARG A 55 -3.942 -11.280 8.411 1.00 0.70 O ATOM 790 CB ARG A 55 -6.642 -11.656 8.132 1.00 0.73 C ATOM 791 CG ARG A 55 -8.142 -11.681 8.381 1.00 1.06 C ATOM 792 CD ARG A 55 -8.657 -13.100 8.549 1.00 1.67 C ATOM 793 NE ARG A 55 -10.086 -13.128 8.847 1.00 2.43 N ATOM 794 CZ ARG A 55 -10.833 -14.226 8.778 1.00 3.17 C ATOM 795 NH1 ARG A 55 -10.286 -15.381 8.422 1.00 3.34 N ATOM 796 NH2 ARG A 55 -12.126 -14.169 9.063 1.00 4.11 N ATOM 0 H ARG A 55 -7.282 -8.850 7.024 1.00 0.66 H new ATOM 0 HA ARG A 55 -6.370 -9.657 8.879 1.00 0.66 H new ATOM 0 HB2 ARG A 55 -6.424 -12.208 7.218 1.00 0.73 H new ATOM 0 HB3 ARG A 55 -6.137 -12.175 8.947 1.00 0.73 H new ATOM 0 HG2 ARG A 55 -8.373 -11.101 9.275 1.00 1.06 H new ATOM 0 HG3 ARG A 55 -8.658 -11.202 7.549 1.00 1.06 H new ATOM 0 HD2 ARG A 55 -8.465 -13.666 7.638 1.00 1.67 H new ATOM 0 HD3 ARG A 55 -8.109 -13.593 9.352 1.00 1.67 H new ATOM 0 HE ARG A 55 -10.537 -12.256 9.124 1.00 2.43 H new ATOM 0 HH11 ARG A 55 -9.291 -15.428 8.201 1.00 3.34 H new ATOM 0 HH12 ARG A 55 -10.860 -16.222 8.369 1.00 3.34 H new ATOM 0 HH21 ARG A 55 -12.550 -13.282 9.336 1.00 4.11 H new ATOM 0 HH22 ARG A 55 -12.698 -15.012 9.010 1.00 4.11 H new ATOM 807 N VAL A 56 -3.927 -9.229 7.489 1.00 0.58 N ATOM 808 CA VAL A 56 -2.472 -9.155 7.419 1.00 0.57 C ATOM 809 C VAL A 56 -1.998 -7.706 7.471 1.00 0.49 C ATOM 810 O VAL A 56 -2.048 -6.988 6.472 1.00 0.50 O ATOM 811 CB VAL A 56 -1.934 -9.826 6.138 1.00 0.66 C ATOM 812 CG1 VAL A 56 -0.419 -9.694 6.053 1.00 1.02 C ATOM 813 CG2 VAL A 56 -2.346 -11.290 6.091 1.00 1.23 C ATOM 0 H VAL A 56 -4.409 -8.405 7.130 1.00 0.58 H new ATOM 0 HA VAL A 56 -2.081 -9.692 8.284 1.00 0.57 H new ATOM 0 HB VAL A 56 -2.368 -9.316 5.278 1.00 0.66 H new ATOM 0 HG11 VAL A 56 -0.062 -10.174 5.142 1.00 1.02 H new ATOM 0 HG12 VAL A 56 -0.146 -8.639 6.038 1.00 1.02 H new ATOM 0 HG13 VAL A 56 0.037 -10.174 6.919 1.00 1.02 H new ATOM 0 HG21 VAL A 56 -1.958 -11.748 5.181 1.00 1.23 H new ATOM 0 HG22 VAL A 56 -1.942 -11.810 6.960 1.00 1.23 H new ATOM 0 HG23 VAL A 56 -3.434 -11.362 6.099 1.00 1.23 H new ATOM 823 N SER A 57 -1.541 -7.282 8.645 1.00 0.48 N ATOM 824 CA SER A 57 -1.059 -5.919 8.829 1.00 0.43 C ATOM 825 C SER A 57 0.461 -5.858 8.725 1.00 0.42 C ATOM 826 O SER A 57 1.172 -6.324 9.616 1.00 0.46 O ATOM 827 CB SER A 57 -1.511 -5.376 10.185 1.00 0.51 C ATOM 828 OG SER A 57 -1.051 -4.051 10.382 1.00 0.64 O ATOM 0 H SER A 57 -1.495 -7.863 9.482 1.00 0.48 H new ATOM 0 HA SER A 57 -1.483 -5.301 8.037 1.00 0.43 H new ATOM 0 HB2 SER A 57 -2.599 -5.399 10.245 1.00 0.51 H new ATOM 0 HB3 SER A 57 -1.134 -6.018 10.981 1.00 0.51 H new ATOM 0 HG SER A 57 -1.354 -3.726 11.255 1.00 0.64 H new ATOM 833 N LEU A 58 0.952 -5.283 7.632 1.00 0.38 N ATOM 834 CA LEU A 58 2.388 -5.163 7.414 1.00 0.40 C ATOM 835 C LEU A 58 2.845 -3.717 7.577 1.00 0.37 C ATOM 836 O LEU A 58 2.039 -2.788 7.516 1.00 0.38 O ATOM 837 CB LEU A 58 2.761 -5.672 6.022 1.00 0.43 C ATOM 838 CG LEU A 58 4.258 -5.655 5.710 1.00 0.96 C ATOM 839 CD1 LEU A 58 5.007 -6.564 6.671 1.00 1.50 C ATOM 840 CD2 LEU A 58 4.508 -6.074 4.270 1.00 1.54 C ATOM 0 H LEU A 58 0.377 -4.894 6.885 1.00 0.38 H new ATOM 0 HA LEU A 58 2.893 -5.773 8.163 1.00 0.40 H new ATOM 0 HB2 LEU A 58 2.394 -6.693 5.914 1.00 0.43 H new ATOM 0 HB3 LEU A 58 2.243 -5.066 5.279 1.00 0.43 H new ATOM 0 HG LEU A 58 4.628 -4.638 5.838 1.00 0.96 H new ATOM 0 HD11 LEU A 58 6.071 -6.542 6.437 1.00 1.50 H new ATOM 0 HD12 LEU A 58 4.853 -6.219 7.693 1.00 1.50 H new ATOM 0 HD13 LEU A 58 4.635 -7.584 6.572 1.00 1.50 H new ATOM 0 HD21 LEU A 58 5.579 -6.056 4.066 1.00 1.54 H new ATOM 0 HD22 LEU A 58 4.126 -7.083 4.113 1.00 1.54 H new ATOM 0 HD23 LEU A 58 3.999 -5.384 3.597 1.00 1.54 H new ATOM 851 N VAL A 59 4.146 -3.533 7.786 1.00 0.41 N ATOM 852 CA VAL A 59 4.713 -2.202 7.957 1.00 0.40 C ATOM 853 C VAL A 59 5.659 -1.858 6.809 1.00 0.40 C ATOM 854 O VAL A 59 6.409 -2.710 6.334 1.00 0.47 O ATOM 855 CB VAL A 59 5.474 -2.087 9.291 1.00 0.45 C ATOM 856 CG1 VAL A 59 6.572 -3.137 9.372 1.00 0.50 C ATOM 857 CG2 VAL A 59 6.050 -0.689 9.461 1.00 0.45 C ATOM 0 H VAL A 59 4.826 -4.291 7.841 1.00 0.41 H new ATOM 0 HA VAL A 59 3.881 -1.498 7.961 1.00 0.40 H new ATOM 0 HB VAL A 59 4.771 -2.266 10.104 1.00 0.45 H new ATOM 0 HG11 VAL A 59 7.099 -3.040 10.321 1.00 0.50 H new ATOM 0 HG12 VAL A 59 6.131 -4.131 9.302 1.00 0.50 H new ATOM 0 HG13 VAL A 59 7.274 -2.993 8.551 1.00 0.50 H new ATOM 0 HG21 VAL A 59 6.584 -0.628 10.409 1.00 0.45 H new ATOM 0 HG22 VAL A 59 6.738 -0.477 8.643 1.00 0.45 H new ATOM 0 HG23 VAL A 59 5.241 0.041 9.453 1.00 0.45 H new ATOM 867 N LEU A 60 5.618 -0.604 6.369 1.00 0.39 N ATOM 868 CA LEU A 60 6.469 -0.151 5.274 1.00 0.40 C ATOM 869 C LEU A 60 7.261 1.091 5.680 1.00 0.38 C ATOM 870 O LEU A 60 6.761 1.945 6.413 1.00 0.48 O ATOM 871 CB LEU A 60 5.624 0.149 4.035 1.00 0.45 C ATOM 872 CG LEU A 60 4.759 -1.015 3.543 1.00 0.61 C ATOM 873 CD1 LEU A 60 3.936 -0.593 2.335 1.00 0.77 C ATOM 874 CD2 LEU A 60 5.626 -2.218 3.205 1.00 0.97 C ATOM 0 H LEU A 60 5.006 0.115 6.753 1.00 0.39 H new ATOM 0 HA LEU A 60 7.174 -0.948 5.039 1.00 0.40 H new ATOM 0 HB2 LEU A 60 4.975 0.997 4.253 1.00 0.45 H new ATOM 0 HB3 LEU A 60 6.288 0.455 3.227 1.00 0.45 H new ATOM 0 HG LEU A 60 4.075 -1.299 4.343 1.00 0.61 H new ATOM 0 HD11 LEU A 60 3.327 -1.432 1.998 1.00 0.77 H new ATOM 0 HD12 LEU A 60 3.287 0.239 2.609 1.00 0.77 H new ATOM 0 HD13 LEU A 60 4.603 -0.283 1.531 1.00 0.77 H new ATOM 0 HD21 LEU A 60 4.994 -3.035 2.857 1.00 0.97 H new ATOM 0 HD22 LEU A 60 6.334 -1.948 2.421 1.00 0.97 H new ATOM 0 HD23 LEU A 60 6.172 -2.534 4.094 1.00 0.97 H new ATOM 885 N ARG A 61 8.498 1.187 5.198 1.00 0.51 N ATOM 886 CA ARG A 61 9.358 2.322 5.518 1.00 0.58 C ATOM 887 C ARG A 61 9.529 3.242 4.311 1.00 0.54 C ATOM 888 O ARG A 61 9.443 2.801 3.164 1.00 0.59 O ATOM 889 CB ARG A 61 10.724 1.832 6.000 1.00 0.69 C ATOM 890 CG ARG A 61 10.647 0.854 7.162 1.00 1.34 C ATOM 891 CD ARG A 61 12.029 0.506 7.693 1.00 1.51 C ATOM 892 NE ARG A 61 12.702 1.670 8.259 1.00 2.06 N ATOM 893 CZ ARG A 61 13.800 1.596 9.005 1.00 2.47 C ATOM 894 NH1 ARG A 61 14.348 0.418 9.265 1.00 2.45 N ATOM 895 NH2 ARG A 61 14.348 2.700 9.487 1.00 3.32 N ATOM 0 H ARG A 61 8.926 0.493 4.585 1.00 0.51 H new ATOM 0 HA ARG A 61 8.880 2.891 6.315 1.00 0.58 H new ATOM 0 HB2 ARG A 61 11.243 1.355 5.169 1.00 0.69 H new ATOM 0 HB3 ARG A 61 11.324 2.692 6.299 1.00 0.69 H new ATOM 0 HG2 ARG A 61 10.047 1.286 7.963 1.00 1.34 H new ATOM 0 HG3 ARG A 61 10.141 -0.056 6.840 1.00 1.34 H new ATOM 0 HD2 ARG A 61 11.941 -0.269 8.455 1.00 1.51 H new ATOM 0 HD3 ARG A 61 12.635 0.093 6.886 1.00 1.51 H new ATOM 0 HE ARG A 61 12.308 2.592 8.072 1.00 2.06 H new ATOM 0 HH11 ARG A 61 13.927 -0.433 8.893 1.00 2.45 H new ATOM 0 HH12 ARG A 61 15.190 0.363 9.837 1.00 2.45 H new ATOM 0 HH21 ARG A 61 13.928 3.608 9.286 1.00 3.32 H new ATOM 0 HH22 ARG A 61 15.190 2.643 10.059 1.00 3.32 H new ATOM 906 N LYS A 62 9.780 4.520 4.582 1.00 0.69 N ATOM 907 CA LYS A 62 9.957 5.515 3.526 1.00 0.74 C ATOM 908 C LYS A 62 10.936 5.036 2.457 1.00 0.68 C ATOM 909 O LYS A 62 10.792 5.363 1.280 1.00 0.76 O ATOM 910 CB LYS A 62 10.453 6.837 4.119 1.00 0.92 C ATOM 911 CG LYS A 62 11.907 6.805 4.566 1.00 1.88 C ATOM 912 CD LYS A 62 12.109 5.910 5.781 1.00 2.95 C ATOM 913 CE LYS A 62 11.283 6.380 6.966 1.00 3.60 C ATOM 914 NZ LYS A 62 11.599 7.786 7.339 1.00 4.70 N ATOM 0 H LYS A 62 9.866 4.893 5.528 1.00 0.69 H new ATOM 0 HA LYS A 62 8.986 5.666 3.055 1.00 0.74 H new ATOM 0 HB2 LYS A 62 10.328 7.626 3.377 1.00 0.92 H new ATOM 0 HB3 LYS A 62 9.827 7.099 4.972 1.00 0.92 H new ATOM 0 HG2 LYS A 62 12.531 6.450 3.746 1.00 1.88 H new ATOM 0 HG3 LYS A 62 12.236 7.817 4.802 1.00 1.88 H new ATOM 0 HD2 LYS A 62 11.834 4.886 5.529 1.00 2.95 H new ATOM 0 HD3 LYS A 62 13.164 5.899 6.054 1.00 2.95 H new ATOM 0 HE2 LYS A 62 10.223 6.298 6.725 1.00 3.60 H new ATOM 0 HE3 LYS A 62 11.468 5.728 7.819 1.00 3.60 H new ATOM 0 HZ1 LYS A 62 11.683 7.860 8.373 1.00 4.70 H new ATOM 0 HZ2 LYS A 62 12.497 8.069 6.897 1.00 4.70 H new ATOM 0 HZ3 LYS A 62 10.838 8.412 7.008 1.00 4.70 H new ATOM 924 N LYS A 63 11.933 4.260 2.872 1.00 0.64 N ATOM 925 CA LYS A 63 12.938 3.750 1.947 1.00 0.71 C ATOM 926 C LYS A 63 12.433 2.510 1.218 1.00 0.63 C ATOM 927 O LYS A 63 12.917 2.175 0.137 1.00 0.73 O ATOM 928 CB LYS A 63 14.233 3.423 2.693 1.00 0.88 C ATOM 929 CG LYS A 63 14.075 2.341 3.749 1.00 0.88 C ATOM 930 CD LYS A 63 15.403 2.019 4.417 1.00 1.10 C ATOM 931 CE LYS A 63 15.251 0.934 5.473 1.00 1.67 C ATOM 932 NZ LYS A 63 14.741 -0.338 4.892 1.00 2.28 N ATOM 0 H LYS A 63 12.066 3.971 3.841 1.00 0.64 H new ATOM 0 HA LYS A 63 13.138 4.527 1.209 1.00 0.71 H new ATOM 0 HB2 LYS A 63 14.987 3.107 1.972 1.00 0.88 H new ATOM 0 HB3 LYS A 63 14.607 4.330 3.168 1.00 0.88 H new ATOM 0 HG2 LYS A 63 13.357 2.667 4.502 1.00 0.88 H new ATOM 0 HG3 LYS A 63 13.669 1.440 3.290 1.00 0.88 H new ATOM 0 HD2 LYS A 63 16.121 1.696 3.663 1.00 1.10 H new ATOM 0 HD3 LYS A 63 15.808 2.921 4.877 1.00 1.10 H new ATOM 0 HE2 LYS A 63 16.214 0.755 5.950 1.00 1.67 H new ATOM 0 HE3 LYS A 63 14.569 1.277 6.251 1.00 1.67 H new ATOM 0 HZ1 LYS A 63 14.858 -1.107 5.583 1.00 2.28 H new ATOM 0 HZ2 LYS A 63 13.733 -0.233 4.658 1.00 2.28 H new ATOM 0 HZ3 LYS A 63 15.275 -0.564 4.029 1.00 2.28 H new ATOM 942 N ASP A 64 11.460 1.831 1.817 1.00 0.54 N ATOM 943 CA ASP A 64 10.892 0.631 1.217 1.00 0.54 C ATOM 944 C ASP A 64 9.860 0.990 0.153 1.00 0.46 C ATOM 945 O ASP A 64 9.585 0.199 -0.749 1.00 0.56 O ATOM 946 CB ASP A 64 10.249 -0.246 2.293 1.00 0.56 C ATOM 947 CG ASP A 64 9.679 -1.532 1.724 1.00 1.38 C ATOM 948 OD1 ASP A 64 10.423 -2.532 1.660 1.00 1.49 O ATOM 949 OD2 ASP A 64 8.490 -1.536 1.345 1.00 2.30 O ATOM 0 H ASP A 64 11.050 2.091 2.714 1.00 0.54 H new ATOM 0 HA ASP A 64 11.700 0.076 0.740 1.00 0.54 H new ATOM 0 HB2 ASP A 64 10.991 -0.486 3.054 1.00 0.56 H new ATOM 0 HB3 ASP A 64 9.455 0.313 2.787 1.00 0.56 H new ATOM 953 N LEU A 65 9.290 2.188 0.261 1.00 0.39 N ATOM 954 CA LEU A 65 8.292 2.642 -0.702 1.00 0.41 C ATOM 955 C LEU A 65 8.955 3.141 -1.980 1.00 0.45 C ATOM 956 O LEU A 65 8.374 3.066 -3.062 1.00 0.52 O ATOM 957 CB LEU A 65 7.421 3.750 -0.103 1.00 0.51 C ATOM 958 CG LEU A 65 6.334 3.275 0.863 1.00 0.49 C ATOM 959 CD1 LEU A 65 6.950 2.734 2.141 1.00 0.67 C ATOM 960 CD2 LEU A 65 5.368 4.409 1.175 1.00 0.70 C ATOM 0 H LEU A 65 9.501 2.858 1.001 1.00 0.39 H new ATOM 0 HA LEU A 65 7.658 1.790 -0.947 1.00 0.41 H new ATOM 0 HB2 LEU A 65 8.067 4.455 0.421 1.00 0.51 H new ATOM 0 HB3 LEU A 65 6.947 4.297 -0.918 1.00 0.51 H new ATOM 0 HG LEU A 65 5.779 2.469 0.384 1.00 0.49 H new ATOM 0 HD11 LEU A 65 6.159 2.402 2.814 1.00 0.67 H new ATOM 0 HD12 LEU A 65 7.601 1.893 1.903 1.00 0.67 H new ATOM 0 HD13 LEU A 65 7.532 3.518 2.625 1.00 0.67 H new ATOM 0 HD21 LEU A 65 4.601 4.054 1.863 1.00 0.70 H new ATOM 0 HD22 LEU A 65 5.912 5.235 1.632 1.00 0.70 H new ATOM 0 HD23 LEU A 65 4.898 4.751 0.253 1.00 0.70 H new ATOM 971 N ALA A 66 10.175 3.648 -1.851 1.00 0.46 N ATOM 972 CA ALA A 66 10.913 4.162 -2.999 1.00 0.52 C ATOM 973 C ALA A 66 11.067 3.092 -4.076 1.00 0.50 C ATOM 974 O ALA A 66 11.242 3.406 -5.254 1.00 0.66 O ATOM 975 CB ALA A 66 12.275 4.680 -2.563 1.00 0.60 C ATOM 0 H ALA A 66 10.674 3.714 -0.964 1.00 0.46 H new ATOM 0 HA ALA A 66 10.345 4.989 -3.426 1.00 0.52 H new ATOM 0 HB1 ALA A 66 12.814 5.060 -3.430 1.00 0.60 H new ATOM 0 HB2 ALA A 66 12.144 5.482 -1.837 1.00 0.60 H new ATOM 0 HB3 ALA A 66 12.844 3.869 -2.109 1.00 0.60 H new ATOM 981 N LEU A 67 11.000 1.830 -3.667 1.00 0.37 N ATOM 982 CA LEU A 67 11.131 0.716 -4.599 1.00 0.35 C ATOM 983 C LEU A 67 9.769 0.299 -5.144 1.00 0.31 C ATOM 984 O LEU A 67 9.523 0.371 -6.348 1.00 0.30 O ATOM 985 CB LEU A 67 11.805 -0.474 -3.912 1.00 0.38 C ATOM 986 CG LEU A 67 13.175 -0.176 -3.302 1.00 0.43 C ATOM 987 CD1 LEU A 67 13.780 -1.440 -2.708 1.00 0.48 C ATOM 988 CD2 LEU A 67 14.106 0.426 -4.345 1.00 0.47 C ATOM 0 H LEU A 67 10.856 1.553 -2.696 1.00 0.37 H new ATOM 0 HA LEU A 67 11.751 1.044 -5.434 1.00 0.35 H new ATOM 0 HB2 LEU A 67 11.146 -0.841 -3.126 1.00 0.38 H new ATOM 0 HB3 LEU A 67 11.915 -1.279 -4.638 1.00 0.38 H new ATOM 0 HG LEU A 67 13.044 0.551 -2.501 1.00 0.43 H new ATOM 0 HD11 LEU A 67 14.755 -1.210 -2.278 1.00 0.48 H new ATOM 0 HD12 LEU A 67 13.123 -1.827 -1.929 1.00 0.48 H new ATOM 0 HD13 LEU A 67 13.897 -2.190 -3.490 1.00 0.48 H new ATOM 0 HD21 LEU A 67 15.076 0.631 -3.892 1.00 0.47 H new ATOM 0 HD22 LEU A 67 14.232 -0.276 -5.169 1.00 0.47 H new ATOM 0 HD23 LEU A 67 13.678 1.355 -4.722 1.00 0.47 H new ATOM 999 N ILE A 68 8.884 -0.135 -4.250 1.00 0.31 N ATOM 1000 CA ILE A 68 7.549 -0.561 -4.644 1.00 0.30 C ATOM 1001 C ILE A 68 6.746 0.612 -5.192 1.00 0.30 C ATOM 1002 O ILE A 68 6.976 1.762 -4.816 1.00 0.37 O ATOM 1003 CB ILE A 68 6.785 -1.188 -3.463 1.00 0.34 C ATOM 1004 CG1 ILE A 68 6.711 -0.202 -2.295 1.00 0.38 C ATOM 1005 CG2 ILE A 68 7.451 -2.484 -3.027 1.00 0.38 C ATOM 1006 CD1 ILE A 68 6.003 -0.762 -1.080 1.00 0.43 C ATOM 0 H ILE A 68 9.070 -0.200 -3.249 1.00 0.31 H new ATOM 0 HA ILE A 68 7.671 -1.314 -5.423 1.00 0.30 H new ATOM 0 HB ILE A 68 5.770 -1.417 -3.787 1.00 0.34 H new ATOM 0 HG12 ILE A 68 7.722 0.093 -2.014 1.00 0.38 H new ATOM 0 HG13 ILE A 68 6.195 0.701 -2.623 1.00 0.38 H new ATOM 0 HG21 ILE A 68 6.898 -2.914 -2.192 1.00 0.38 H new ATOM 0 HG22 ILE A 68 7.457 -3.188 -3.859 1.00 0.38 H new ATOM 0 HG23 ILE A 68 8.476 -2.280 -2.717 1.00 0.38 H new ATOM 0 HD11 ILE A 68 5.987 -0.011 -0.290 1.00 0.43 H new ATOM 0 HD12 ILE A 68 4.981 -1.031 -1.346 1.00 0.43 H new ATOM 0 HD13 ILE A 68 6.531 -1.648 -0.727 1.00 0.43 H new ATOM 1017 N GLU A 69 5.804 0.320 -6.081 1.00 0.29 N ATOM 1018 CA GLU A 69 4.978 1.360 -6.683 1.00 0.32 C ATOM 1019 C GLU A 69 3.568 1.356 -6.104 1.00 0.31 C ATOM 1020 O GLU A 69 3.003 0.299 -5.822 1.00 0.37 O ATOM 1021 CB GLU A 69 4.914 1.173 -8.198 1.00 0.34 C ATOM 1022 CG GLU A 69 4.316 2.363 -8.931 1.00 0.44 C ATOM 1023 CD GLU A 69 4.253 2.154 -10.432 1.00 1.30 C ATOM 1024 OE1 GLU A 69 5.236 2.497 -11.121 1.00 1.26 O ATOM 1025 OE2 GLU A 69 3.219 1.648 -10.916 1.00 2.29 O ATOM 0 H GLU A 69 5.593 -0.626 -6.400 1.00 0.29 H new ATOM 0 HA GLU A 69 5.437 2.322 -6.455 1.00 0.32 H new ATOM 0 HB2 GLU A 69 5.920 0.991 -8.577 1.00 0.34 H new ATOM 0 HB3 GLU A 69 4.324 0.284 -8.422 1.00 0.34 H new ATOM 0 HG2 GLU A 69 3.311 2.551 -8.552 1.00 0.44 H new ATOM 0 HG3 GLU A 69 4.909 3.252 -8.717 1.00 0.44 H new ATOM 1030 N LEU A 70 3.008 2.547 -5.929 1.00 0.32 N ATOM 1031 CA LEU A 70 1.658 2.689 -5.394 1.00 0.33 C ATOM 1032 C LEU A 70 0.704 3.179 -6.478 1.00 0.33 C ATOM 1033 O LEU A 70 0.943 4.206 -7.113 1.00 0.45 O ATOM 1034 CB LEU A 70 1.649 3.662 -4.213 1.00 0.38 C ATOM 1035 CG LEU A 70 2.363 3.164 -2.955 1.00 0.95 C ATOM 1036 CD1 LEU A 70 1.799 1.822 -2.517 1.00 1.25 C ATOM 1037 CD2 LEU A 70 3.862 3.062 -3.197 1.00 1.85 C ATOM 0 H LEU A 70 3.468 3.430 -6.150 1.00 0.32 H new ATOM 0 HA LEU A 70 1.324 1.711 -5.046 1.00 0.33 H new ATOM 0 HB2 LEU A 70 2.113 4.597 -4.529 1.00 0.38 H new ATOM 0 HB3 LEU A 70 0.614 3.890 -3.958 1.00 0.38 H new ATOM 0 HG LEU A 70 2.193 3.885 -2.155 1.00 0.95 H new ATOM 0 HD11 LEU A 70 2.319 1.484 -1.621 1.00 1.25 H new ATOM 0 HD12 LEU A 70 0.736 1.927 -2.302 1.00 1.25 H new ATOM 0 HD13 LEU A 70 1.937 1.092 -3.314 1.00 1.25 H new ATOM 0 HD21 LEU A 70 4.353 2.706 -2.291 1.00 1.85 H new ATOM 0 HD22 LEU A 70 4.052 2.363 -4.012 1.00 1.85 H new ATOM 0 HD23 LEU A 70 4.255 4.043 -3.462 1.00 1.85 H new ATOM 1048 N GLU A 71 -0.381 2.439 -6.684 1.00 0.35 N ATOM 1049 CA GLU A 71 -1.368 2.798 -7.695 1.00 0.38 C ATOM 1050 C GLU A 71 -2.570 3.481 -7.056 1.00 0.37 C ATOM 1051 O GLU A 71 -3.205 2.931 -6.157 1.00 0.52 O ATOM 1052 CB GLU A 71 -1.822 1.556 -8.461 1.00 0.47 C ATOM 1053 CG GLU A 71 -2.735 1.869 -9.635 1.00 0.54 C ATOM 1054 CD GLU A 71 -2.065 2.744 -10.676 1.00 1.31 C ATOM 1055 OE1 GLU A 71 -2.059 3.980 -10.497 1.00 2.24 O ATOM 1056 OE2 GLU A 71 -1.549 2.194 -11.671 1.00 1.26 O ATOM 0 H GLU A 71 -0.598 1.588 -6.165 1.00 0.35 H new ATOM 0 HA GLU A 71 -0.902 3.494 -8.392 1.00 0.38 H new ATOM 0 HB2 GLU A 71 -0.944 1.022 -8.826 1.00 0.47 H new ATOM 0 HB3 GLU A 71 -2.341 0.886 -7.776 1.00 0.47 H new ATOM 0 HG2 GLU A 71 -3.055 0.937 -10.100 1.00 0.54 H new ATOM 0 HG3 GLU A 71 -3.633 2.368 -9.270 1.00 0.54 H new ATOM 1061 N ALA A 72 -2.875 4.682 -7.527 1.00 0.45 N ATOM 1062 CA ALA A 72 -3.999 5.445 -7.005 1.00 0.52 C ATOM 1063 C ALA A 72 -5.292 4.643 -7.081 1.00 0.44 C ATOM 1064 O ALA A 72 -5.446 3.770 -7.936 1.00 0.53 O ATOM 1065 CB ALA A 72 -4.140 6.751 -7.767 1.00 0.76 C ATOM 0 H ALA A 72 -2.358 5.150 -8.272 1.00 0.45 H new ATOM 0 HA ALA A 72 -3.804 5.665 -5.955 1.00 0.52 H new ATOM 0 HB1 ALA A 72 -4.984 7.315 -7.369 1.00 0.76 H new ATOM 0 HB2 ALA A 72 -3.228 7.337 -7.657 1.00 0.76 H new ATOM 0 HB3 ALA A 72 -4.310 6.540 -8.823 1.00 0.76 H new ATOM 1071 N VAL A 73 -6.221 4.942 -6.179 1.00 0.58 N ATOM 1072 CA VAL A 73 -7.504 4.251 -6.143 1.00 0.64 C ATOM 1073 C VAL A 73 -8.514 4.911 -7.074 1.00 0.83 C ATOM 1074 O VAL A 73 -8.219 5.925 -7.709 1.00 0.99 O ATOM 1075 CB VAL A 73 -8.084 4.219 -4.717 1.00 0.78 C ATOM 1076 CG1 VAL A 73 -7.149 3.474 -3.777 1.00 1.01 C ATOM 1077 CG2 VAL A 73 -8.347 5.631 -4.213 1.00 1.16 C ATOM 0 H VAL A 73 -6.109 5.659 -5.462 1.00 0.58 H new ATOM 0 HA VAL A 73 -7.321 3.230 -6.478 1.00 0.64 H new ATOM 0 HB VAL A 73 -9.035 3.687 -4.744 1.00 0.78 H new ATOM 0 HG11 VAL A 73 -7.575 3.462 -2.774 1.00 1.01 H new ATOM 0 HG12 VAL A 73 -7.019 2.451 -4.129 1.00 1.01 H new ATOM 0 HG13 VAL A 73 -6.181 3.975 -3.754 1.00 1.01 H new ATOM 0 HG21 VAL A 73 -8.757 5.587 -3.204 1.00 1.16 H new ATOM 0 HG22 VAL A 73 -7.413 6.193 -4.201 1.00 1.16 H new ATOM 0 HG23 VAL A 73 -9.060 6.126 -4.873 1.00 1.16 H new ATOM 1087 N ALA A 74 -9.706 4.329 -7.152 1.00 0.99 N ATOM 1088 CA ALA A 74 -10.763 4.859 -8.006 1.00 1.25 C ATOM 1089 C ALA A 74 -11.704 5.764 -7.214 1.00 1.66 C ATOM 1090 O ALA A 74 -11.990 6.889 -7.624 1.00 2.28 O ATOM 1091 CB ALA A 74 -11.540 3.724 -8.651 1.00 1.57 C ATOM 0 H ALA A 74 -9.965 3.489 -6.634 1.00 0.99 H new ATOM 0 HA ALA A 74 -10.298 5.456 -8.790 1.00 1.25 H new ATOM 0 HB1 ALA A 74 -12.325 4.135 -9.285 1.00 1.57 H new ATOM 0 HB2 ALA A 74 -10.865 3.118 -9.256 1.00 1.57 H new ATOM 0 HB3 ALA A 74 -11.988 3.103 -7.875 1.00 1.57 H new ATOM 1097 N GLN A 75 -12.185 5.263 -6.081 1.00 1.95 N ATOM 1098 CA GLN A 75 -13.096 6.024 -5.232 1.00 2.53 C ATOM 1099 C GLN A 75 -12.350 6.644 -4.053 1.00 2.88 C ATOM 1100 O GLN A 75 -11.395 6.065 -3.537 1.00 3.14 O ATOM 1101 CB GLN A 75 -14.222 5.125 -4.719 1.00 3.27 C ATOM 1102 CG GLN A 75 -14.979 4.409 -5.821 1.00 3.83 C ATOM 1103 CD GLN A 75 -16.202 3.674 -5.308 1.00 4.50 C ATOM 1104 OE1 GLN A 75 -16.123 2.504 -4.929 1.00 4.86 O ATOM 1105 NE2 GLN A 75 -17.342 4.354 -5.293 1.00 5.13 N ATOM 0 H GLN A 75 -11.959 4.333 -5.729 1.00 1.95 H new ATOM 0 HA GLN A 75 -13.526 6.826 -5.832 1.00 2.53 H new ATOM 0 HB2 GLN A 75 -13.802 4.385 -4.038 1.00 3.27 H new ATOM 0 HB3 GLN A 75 -14.922 5.728 -4.142 1.00 3.27 H new ATOM 0 HG2 GLN A 75 -15.285 5.133 -6.576 1.00 3.83 H new ATOM 0 HG3 GLN A 75 -14.313 3.699 -6.312 1.00 3.83 H new ATOM 0 HE21 GLN A 75 -17.363 5.321 -5.616 1.00 5.13 H new ATOM 0 HE22 GLN A 75 -18.197 3.909 -4.959 1.00 5.13 H new TER 1112 GLN A 75