USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 53 THR OG1 : rot -61:sc= -0.417 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.0882 (180deg=-0.623) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0254 (180deg=-0.23) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -3.74! USER MOD Single : A 15 SER OG : rot -73:sc= 0.568 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -3.13 K(o=-3.1,f=-2.2!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -30:sc= 0.745 USER MOD Single : A 35 SER OG : rot 180:sc= -0.332 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-0.32) USER MOD Single : A 50 HIS : no HD1:sc= -4.6 K(o=-4.6,f=-3.7!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 162:sc= -0.0466 (180deg=-0.431) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -4.56! C(o=-4.6!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.385 11.342 -5.820 1.00 3.33 N ATOM 2 CA MET A 1 2.379 12.216 -5.147 1.00 2.78 C ATOM 3 C MET A 1 2.388 11.968 -3.643 1.00 2.08 C ATOM 4 O MET A 1 3.435 11.713 -3.050 1.00 2.36 O ATOM 5 CB MET A 1 2.066 13.688 -5.430 1.00 2.93 C ATOM 6 CG MET A 1 2.006 14.022 -6.911 1.00 3.53 C ATOM 7 SD MET A 1 3.555 13.673 -7.766 1.00 4.37 S ATOM 8 CE MET A 1 4.677 14.754 -6.883 1.00 5.17 C ATOM 0 H1 MET A 1 1.533 11.376 -6.849 1.00 3.33 H new ATOM 0 H2 MET A 1 1.500 10.364 -5.485 1.00 3.33 H new ATOM 0 H3 MET A 1 0.425 11.673 -5.598 1.00 3.33 H new ATOM 0 HA MET A 1 3.366 11.977 -5.543 1.00 2.78 H new ATOM 0 HB2 MET A 1 1.112 13.943 -4.969 1.00 2.93 H new ATOM 0 HB3 MET A 1 2.825 14.310 -4.956 1.00 2.93 H new ATOM 0 HG2 MET A 1 1.202 13.451 -7.376 1.00 3.53 H new ATOM 0 HG3 MET A 1 1.759 15.077 -7.032 1.00 3.53 H new ATOM 0 HE1 MET A 1 5.573 14.916 -7.482 1.00 5.17 H new ATOM 0 HE2 MET A 1 4.189 15.710 -6.695 1.00 5.17 H new ATOM 0 HE3 MET A 1 4.953 14.295 -5.934 1.00 5.17 H new ATOM 18 N GLN A 2 1.210 12.044 -3.032 1.00 1.56 N ATOM 19 CA GLN A 2 1.079 11.824 -1.595 1.00 0.99 C ATOM 20 C GLN A 2 -0.171 11.007 -1.285 1.00 0.83 C ATOM 21 O GLN A 2 -1.055 10.859 -2.129 1.00 1.25 O ATOM 22 CB GLN A 2 1.028 13.163 -0.857 1.00 1.05 C ATOM 23 CG GLN A 2 2.293 13.986 -1.006 1.00 1.64 C ATOM 24 CD GLN A 2 2.164 15.370 -0.404 1.00 2.33 C ATOM 25 OE1 GLN A 2 1.773 16.321 -1.083 1.00 2.91 O ATOM 26 NE2 GLN A 2 2.489 15.492 0.876 1.00 2.94 N ATOM 0 H GLN A 2 0.333 12.256 -3.508 1.00 1.56 H new ATOM 0 HA GLN A 2 1.950 11.264 -1.254 1.00 0.99 H new ATOM 0 HB2 GLN A 2 0.182 13.741 -1.229 1.00 1.05 H new ATOM 0 HB3 GLN A 2 0.847 12.978 0.202 1.00 1.05 H new ATOM 0 HG2 GLN A 2 3.121 13.462 -0.528 1.00 1.64 H new ATOM 0 HG3 GLN A 2 2.541 14.076 -2.064 1.00 1.64 H new ATOM 0 HE21 GLN A 2 2.808 14.678 1.401 1.00 2.94 H new ATOM 0 HE22 GLN A 2 2.420 16.400 1.335 1.00 2.94 H new ATOM 33 N PHE A 3 -0.239 10.477 -0.068 1.00 0.64 N ATOM 34 CA PHE A 3 -1.380 9.674 0.354 1.00 0.59 C ATOM 35 C PHE A 3 -1.643 9.841 1.846 1.00 0.50 C ATOM 36 O PHE A 3 -0.848 9.406 2.679 1.00 0.55 O ATOM 37 CB PHE A 3 -1.141 8.199 0.024 1.00 0.80 C ATOM 38 CG PHE A 3 0.178 7.678 0.520 1.00 0.75 C ATOM 39 CD1 PHE A 3 1.325 7.825 -0.244 1.00 0.80 C ATOM 40 CD2 PHE A 3 0.270 7.039 1.746 1.00 1.47 C ATOM 41 CE1 PHE A 3 2.541 7.346 0.208 1.00 1.39 C ATOM 42 CE2 PHE A 3 1.483 6.559 2.202 1.00 2.25 C ATOM 43 CZ PHE A 3 2.619 6.711 1.431 1.00 2.18 C ATOM 0 H PHE A 3 0.483 10.590 0.643 1.00 0.64 H new ATOM 0 HA PHE A 3 -2.259 10.022 -0.189 1.00 0.59 H new ATOM 0 HB2 PHE A 3 -1.944 7.603 0.458 1.00 0.80 H new ATOM 0 HB3 PHE A 3 -1.192 8.064 -1.056 1.00 0.80 H new ATOM 0 HD1 PHE A 3 1.269 8.319 -1.203 1.00 0.80 H new ATOM 0 HD2 PHE A 3 -0.616 6.915 2.352 1.00 1.47 H new ATOM 0 HE1 PHE A 3 3.428 7.469 -0.395 1.00 1.39 H new ATOM 0 HE2 PHE A 3 1.543 6.065 3.161 1.00 2.25 H new ATOM 0 HZ PHE A 3 3.567 6.333 1.785 1.00 2.18 H new ATOM 52 N THR A 4 -2.762 10.475 2.176 1.00 0.53 N ATOM 53 CA THR A 4 -3.132 10.697 3.567 1.00 0.49 C ATOM 54 C THR A 4 -3.739 9.439 4.177 1.00 0.45 C ATOM 55 O THR A 4 -4.278 8.593 3.462 1.00 0.45 O ATOM 56 CB THR A 4 -4.130 11.861 3.709 1.00 0.57 C ATOM 57 OG1 THR A 4 -5.256 11.649 2.849 1.00 0.61 O ATOM 58 CG2 THR A 4 -3.465 13.186 3.371 1.00 0.66 C ATOM 0 H THR A 4 -3.429 10.844 1.498 1.00 0.53 H new ATOM 0 HA THR A 4 -2.217 10.953 4.101 1.00 0.49 H new ATOM 0 HB THR A 4 -4.469 11.898 4.744 1.00 0.57 H new ATOM 0 HG1 THR A 4 -5.887 12.393 2.947 1.00 0.61 H new ATOM 0 HG21 THR A 4 -4.189 13.994 3.478 1.00 0.66 H new ATOM 0 HG22 THR A 4 -2.628 13.356 4.048 1.00 0.66 H new ATOM 0 HG23 THR A 4 -3.101 13.159 2.344 1.00 0.66 H new ATOM 66 N PRO A 5 -3.663 9.299 5.510 1.00 0.47 N ATOM 67 CA PRO A 5 -4.206 8.135 6.210 1.00 0.51 C ATOM 68 C PRO A 5 -5.728 8.159 6.286 1.00 0.51 C ATOM 69 O PRO A 5 -6.303 8.692 7.235 1.00 0.65 O ATOM 70 CB PRO A 5 -3.600 8.251 7.607 1.00 0.62 C ATOM 71 CG PRO A 5 -3.373 9.711 7.798 1.00 0.58 C ATOM 72 CD PRO A 5 -3.041 10.265 6.438 1.00 0.53 C ATOM 0 HA PRO A 5 -3.964 7.203 5.699 1.00 0.51 H new ATOM 0 HB2 PRO A 5 -4.273 7.852 8.366 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -2.668 7.692 7.682 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -4.260 10.193 8.209 1.00 0.58 H new ATOM 0 HG3 PRO A 5 -2.559 9.890 8.501 1.00 0.58 H new ATOM 0 HD2 PRO A 5 -3.446 11.268 6.304 1.00 0.53 H new ATOM 0 HD3 PRO A 5 -1.964 10.333 6.284 1.00 0.53 H new ATOM 77 N ASP A 6 -6.376 7.581 5.277 1.00 0.74 N ATOM 78 CA ASP A 6 -7.833 7.537 5.229 1.00 0.84 C ATOM 79 C ASP A 6 -8.319 6.866 3.948 1.00 0.71 C ATOM 80 O ASP A 6 -9.242 6.052 3.974 1.00 0.67 O ATOM 81 CB ASP A 6 -8.413 8.951 5.326 1.00 1.07 C ATOM 82 CG ASP A 6 -9.926 8.965 5.230 1.00 2.06 C ATOM 83 OD1 ASP A 6 -10.589 8.812 6.278 1.00 2.69 O ATOM 84 OD2 ASP A 6 -10.447 9.129 4.107 1.00 2.51 O ATOM 0 H ASP A 6 -5.914 7.137 4.483 1.00 0.74 H new ATOM 0 HA ASP A 6 -8.178 6.949 6.080 1.00 0.84 H new ATOM 0 HB2 ASP A 6 -8.108 9.402 6.270 1.00 1.07 H new ATOM 0 HB3 ASP A 6 -7.996 9.567 4.529 1.00 1.07 H new ATOM 88 N SER A 7 -7.692 7.210 2.827 1.00 0.77 N ATOM 89 CA SER A 7 -8.067 6.641 1.538 1.00 0.72 C ATOM 90 C SER A 7 -7.317 5.338 1.279 1.00 0.54 C ATOM 91 O SER A 7 -6.156 5.193 1.657 1.00 0.67 O ATOM 92 CB SER A 7 -7.787 7.639 0.414 1.00 0.96 C ATOM 93 OG SER A 7 -8.516 8.839 0.603 1.00 1.89 O ATOM 0 H SER A 7 -6.923 7.879 2.786 1.00 0.77 H new ATOM 0 HA SER A 7 -9.135 6.425 1.562 1.00 0.72 H new ATOM 0 HB2 SER A 7 -6.720 7.860 0.377 1.00 0.96 H new ATOM 0 HB3 SER A 7 -8.054 7.195 -0.545 1.00 0.96 H new ATOM 0 HG SER A 7 -8.318 9.461 -0.128 1.00 1.89 H new ATOM 98 N ALA A 8 -7.992 4.392 0.633 1.00 0.47 N ATOM 99 CA ALA A 8 -7.390 3.100 0.322 1.00 0.35 C ATOM 100 C ALA A 8 -6.401 3.218 -0.833 1.00 0.31 C ATOM 101 O ALA A 8 -6.466 4.158 -1.625 1.00 0.38 O ATOM 102 CB ALA A 8 -8.471 2.082 -0.007 1.00 0.44 C ATOM 0 H ALA A 8 -8.956 4.496 0.315 1.00 0.47 H new ATOM 0 HA ALA A 8 -6.841 2.761 1.201 1.00 0.35 H new ATOM 0 HB1 ALA A 8 -8.009 1.122 -0.237 1.00 0.44 H new ATOM 0 HB2 ALA A 8 -9.136 1.968 0.849 1.00 0.44 H new ATOM 0 HB3 ALA A 8 -9.044 2.425 -0.869 1.00 0.44 H new ATOM 108 N TRP A 9 -5.486 2.256 -0.923 1.00 0.30 N ATOM 109 CA TRP A 9 -4.485 2.254 -1.984 1.00 0.30 C ATOM 110 C TRP A 9 -4.151 0.830 -2.413 1.00 0.32 C ATOM 111 O TRP A 9 -4.364 -0.121 -1.662 1.00 0.39 O ATOM 112 CB TRP A 9 -3.214 2.967 -1.519 1.00 0.34 C ATOM 113 CG TRP A 9 -3.453 4.368 -1.044 1.00 0.35 C ATOM 114 CD1 TRP A 9 -3.721 4.764 0.234 1.00 0.40 C ATOM 115 CD2 TRP A 9 -3.444 5.557 -1.842 1.00 0.42 C ATOM 116 NE1 TRP A 9 -3.879 6.128 0.280 1.00 0.41 N ATOM 117 CE2 TRP A 9 -3.714 6.638 -0.981 1.00 0.42 C ATOM 118 CE3 TRP A 9 -3.231 5.814 -3.201 1.00 0.56 C ATOM 119 CZ2 TRP A 9 -3.779 7.952 -1.435 1.00 0.52 C ATOM 120 CZ3 TRP A 9 -3.297 7.119 -3.650 1.00 0.69 C ATOM 121 CH2 TRP A 9 -3.566 8.174 -2.768 1.00 0.66 C ATOM 0 H TRP A 9 -5.418 1.471 -0.276 1.00 0.30 H new ATOM 0 HA TRP A 9 -4.900 2.787 -2.840 1.00 0.30 H new ATOM 0 HB2 TRP A 9 -2.759 2.392 -0.713 1.00 0.34 H new ATOM 0 HB3 TRP A 9 -2.498 2.988 -2.340 1.00 0.34 H new ATOM 0 HD1 TRP A 9 -3.798 4.103 1.084 1.00 0.40 H new ATOM 0 HE1 TRP A 9 -4.086 6.673 1.117 1.00 0.41 H new ATOM 0 HE3 TRP A 9 -3.019 5.007 -3.886 1.00 0.56 H new ATOM 0 HZ2 TRP A 9 -3.990 8.767 -0.759 1.00 0.52 H new ATOM 0 HZ3 TRP A 9 -3.139 7.329 -4.697 1.00 0.69 H new ATOM 0 HH2 TRP A 9 -3.606 9.184 -3.149 1.00 0.66 H new ATOM 131 N LYS A 10 -3.625 0.688 -3.626 1.00 0.34 N ATOM 132 CA LYS A 10 -3.253 -0.620 -4.151 1.00 0.37 C ATOM 133 C LYS A 10 -1.737 -0.768 -4.219 1.00 0.34 C ATOM 134 O LYS A 10 -1.030 0.162 -4.605 1.00 0.34 O ATOM 135 CB LYS A 10 -3.860 -0.835 -5.539 1.00 0.43 C ATOM 136 CG LYS A 10 -5.378 -0.917 -5.531 1.00 1.01 C ATOM 137 CD LYS A 10 -5.931 -1.141 -6.929 1.00 1.03 C ATOM 138 CE LYS A 10 -5.381 -2.417 -7.546 1.00 1.28 C ATOM 139 NZ LYS A 10 -5.932 -2.660 -8.908 1.00 2.04 N ATOM 0 H LYS A 10 -3.447 1.464 -4.264 1.00 0.34 H new ATOM 0 HA LYS A 10 -3.646 -1.377 -3.472 1.00 0.37 H new ATOM 0 HB2 LYS A 10 -3.552 -0.019 -6.192 1.00 0.43 H new ATOM 0 HB3 LYS A 10 -3.457 -1.754 -5.965 1.00 0.43 H new ATOM 0 HG2 LYS A 10 -5.696 -1.730 -4.878 1.00 1.01 H new ATOM 0 HG3 LYS A 10 -5.791 0.003 -5.118 1.00 1.01 H new ATOM 0 HD2 LYS A 10 -7.019 -1.195 -6.887 1.00 1.03 H new ATOM 0 HD3 LYS A 10 -5.678 -0.291 -7.562 1.00 1.03 H new ATOM 0 HE2 LYS A 10 -4.294 -2.354 -7.600 1.00 1.28 H new ATOM 0 HE3 LYS A 10 -5.620 -3.263 -6.902 1.00 1.28 H new ATOM 0 HZ1 LYS A 10 -5.532 -3.539 -9.293 1.00 2.04 H new ATOM 0 HZ2 LYS A 10 -6.967 -2.746 -8.854 1.00 2.04 H new ATOM 0 HZ3 LYS A 10 -5.683 -1.865 -9.530 1.00 2.04 H new ATOM 149 N ILE A 11 -1.244 -1.941 -3.838 1.00 0.36 N ATOM 150 CA ILE A 11 0.188 -2.208 -3.853 1.00 0.36 C ATOM 151 C ILE A 11 0.666 -2.566 -5.256 1.00 0.32 C ATOM 152 O ILE A 11 0.015 -3.327 -5.970 1.00 0.38 O ATOM 153 CB ILE A 11 0.556 -3.356 -2.890 1.00 0.41 C ATOM 154 CG1 ILE A 11 0.131 -3.017 -1.462 1.00 0.48 C ATOM 155 CG2 ILE A 11 2.051 -3.647 -2.946 1.00 0.43 C ATOM 156 CD1 ILE A 11 0.461 -4.103 -0.460 1.00 0.56 C ATOM 0 H ILE A 11 -1.815 -2.722 -3.515 1.00 0.36 H new ATOM 0 HA ILE A 11 0.683 -1.294 -3.525 1.00 0.36 H new ATOM 0 HB ILE A 11 0.020 -4.251 -3.206 1.00 0.41 H new ATOM 0 HG12 ILE A 11 0.619 -2.091 -1.156 1.00 0.48 H new ATOM 0 HG13 ILE A 11 -0.943 -2.832 -1.445 1.00 0.48 H new ATOM 0 HG21 ILE A 11 2.289 -4.460 -2.260 1.00 0.43 H new ATOM 0 HG22 ILE A 11 2.328 -3.935 -3.960 1.00 0.43 H new ATOM 0 HG23 ILE A 11 2.606 -2.754 -2.658 1.00 0.43 H new ATOM 0 HD11 ILE A 11 0.131 -3.795 0.532 1.00 0.56 H new ATOM 0 HD12 ILE A 11 -0.048 -5.025 -0.742 1.00 0.56 H new ATOM 0 HD13 ILE A 11 1.538 -4.272 -0.448 1.00 0.56 H new ATOM 167 N THR A 12 1.807 -2.009 -5.640 1.00 0.28 N ATOM 168 CA THR A 12 2.393 -2.275 -6.947 1.00 0.27 C ATOM 169 C THR A 12 3.911 -2.373 -6.835 1.00 0.27 C ATOM 170 O THR A 12 4.646 -1.637 -7.492 1.00 0.30 O ATOM 171 CB THR A 12 2.027 -1.188 -7.974 1.00 0.30 C ATOM 172 OG1 THR A 12 2.469 0.094 -7.514 1.00 0.91 O ATOM 173 CG2 THR A 12 0.524 -1.151 -8.214 1.00 0.97 C ATOM 0 H THR A 12 2.348 -1.366 -5.061 1.00 0.28 H new ATOM 0 HA THR A 12 1.984 -3.223 -7.296 1.00 0.27 H new ATOM 0 HB THR A 12 2.525 -1.429 -8.913 1.00 0.30 H new ATOM 0 HG1 THR A 12 2.233 0.778 -8.175 1.00 0.91 H new ATOM 0 HG21 THR A 12 0.291 -0.375 -8.943 1.00 0.97 H new ATOM 0 HG22 THR A 12 0.192 -2.117 -8.594 1.00 0.97 H new ATOM 0 HG23 THR A 12 0.011 -0.934 -7.277 1.00 0.97 H new ATOM 181 N GLY A 13 4.368 -3.286 -5.984 1.00 0.29 N ATOM 182 CA GLY A 13 5.792 -3.474 -5.783 1.00 0.33 C ATOM 183 C GLY A 13 6.495 -4.009 -7.014 1.00 0.37 C ATOM 184 O GLY A 13 6.609 -5.221 -7.196 1.00 0.45 O ATOM 0 H GLY A 13 3.774 -3.901 -5.428 1.00 0.29 H new ATOM 0 HA2 GLY A 13 6.242 -2.523 -5.498 1.00 0.33 H new ATOM 0 HA3 GLY A 13 5.949 -4.163 -4.953 1.00 0.33 H new ATOM 188 N PHE A 14 6.968 -3.101 -7.860 1.00 0.34 N ATOM 189 CA PHE A 14 7.675 -3.480 -9.078 1.00 0.41 C ATOM 190 C PHE A 14 8.758 -2.459 -9.404 1.00 0.39 C ATOM 191 O PHE A 14 8.492 -1.436 -10.037 1.00 0.43 O ATOM 192 CB PHE A 14 6.696 -3.601 -10.249 1.00 0.50 C ATOM 193 CG PHE A 14 7.357 -3.935 -11.555 1.00 0.60 C ATOM 194 CD1 PHE A 14 7.986 -5.155 -11.738 1.00 0.70 C ATOM 195 CD2 PHE A 14 7.347 -3.026 -12.601 1.00 0.69 C ATOM 196 CE1 PHE A 14 8.594 -5.465 -12.940 1.00 0.81 C ATOM 197 CE2 PHE A 14 7.954 -3.329 -13.806 1.00 0.79 C ATOM 198 CZ PHE A 14 8.581 -4.554 -13.972 1.00 0.81 C ATOM 0 H PHE A 14 6.874 -2.094 -7.724 1.00 0.34 H new ATOM 0 HA PHE A 14 8.146 -4.449 -8.914 1.00 0.41 H new ATOM 0 HB2 PHE A 14 5.959 -4.370 -10.017 1.00 0.50 H new ATOM 0 HB3 PHE A 14 6.153 -2.662 -10.356 1.00 0.50 H new ATOM 0 HD1 PHE A 14 8.002 -5.873 -10.932 1.00 0.70 H new ATOM 0 HD2 PHE A 14 6.860 -2.071 -12.474 1.00 0.69 H new ATOM 0 HE1 PHE A 14 9.079 -6.421 -13.069 1.00 0.81 H new ATOM 0 HE2 PHE A 14 7.940 -2.614 -14.615 1.00 0.79 H new ATOM 0 HZ PHE A 14 9.059 -4.794 -14.910 1.00 0.81 H new ATOM 207 N SER A 15 9.981 -2.737 -8.963 1.00 0.40 N ATOM 208 CA SER A 15 11.103 -1.838 -9.201 1.00 0.41 C ATOM 209 C SER A 15 11.968 -2.330 -10.353 1.00 0.43 C ATOM 210 O SER A 15 12.065 -3.531 -10.605 1.00 0.48 O ATOM 211 CB SER A 15 11.955 -1.706 -7.938 1.00 0.39 C ATOM 212 OG SER A 15 11.156 -1.385 -6.813 1.00 0.76 O ATOM 0 H SER A 15 10.219 -3.579 -8.439 1.00 0.40 H new ATOM 0 HA SER A 15 10.697 -0.862 -9.467 1.00 0.41 H new ATOM 0 HB2 SER A 15 12.487 -2.640 -7.755 1.00 0.39 H new ATOM 0 HB3 SER A 15 12.710 -0.933 -8.084 1.00 0.39 H new ATOM 0 HG SER A 15 10.866 -0.451 -6.873 1.00 0.76 H new ATOM 217 N ARG A 16 12.595 -1.389 -11.049 1.00 0.57 N ATOM 218 CA ARG A 16 13.463 -1.717 -12.174 1.00 0.61 C ATOM 219 C ARG A 16 14.527 -2.734 -11.768 1.00 0.59 C ATOM 220 O ARG A 16 15.079 -3.438 -12.614 1.00 0.63 O ATOM 221 CB ARG A 16 14.135 -0.454 -12.719 1.00 0.69 C ATOM 222 CG ARG A 16 15.185 0.137 -11.790 1.00 1.14 C ATOM 223 CD ARG A 16 14.566 0.702 -10.521 1.00 1.37 C ATOM 224 NE ARG A 16 15.533 1.461 -9.731 1.00 2.19 N ATOM 225 CZ ARG A 16 15.297 1.886 -8.494 1.00 2.67 C ATOM 226 NH1 ARG A 16 14.141 1.611 -7.905 1.00 2.41 N ATOM 227 NH2 ARG A 16 16.219 2.584 -7.844 1.00 3.58 N ATOM 0 H ARG A 16 12.518 -0.391 -10.854 1.00 0.57 H new ATOM 0 HA ARG A 16 12.843 -2.157 -12.955 1.00 0.61 H new ATOM 0 HB2 ARG A 16 14.601 -0.687 -13.676 1.00 0.69 H new ATOM 0 HB3 ARG A 16 13.370 0.298 -12.912 1.00 0.69 H new ATOM 0 HG2 ARG A 16 15.912 -0.632 -11.528 1.00 1.14 H new ATOM 0 HG3 ARG A 16 15.728 0.925 -12.311 1.00 1.14 H new ATOM 0 HD2 ARG A 16 13.727 1.346 -10.783 1.00 1.37 H new ATOM 0 HD3 ARG A 16 14.166 -0.114 -9.918 1.00 1.37 H new ATOM 0 HE ARG A 16 16.437 1.676 -10.151 1.00 2.19 H new ATOM 0 HH11 ARG A 16 13.431 1.072 -8.401 1.00 2.41 H new ATOM 0 HH12 ARG A 16 13.962 1.938 -6.956 1.00 2.41 H new ATOM 0 HH21 ARG A 16 17.110 2.795 -8.294 1.00 3.58 H new ATOM 0 HH22 ARG A 16 16.037 2.910 -6.895 1.00 3.58 H new ATOM 238 N ASP A 17 14.814 -2.807 -10.470 1.00 0.58 N ATOM 239 CA ASP A 17 15.814 -3.739 -9.962 1.00 0.63 C ATOM 240 C ASP A 17 15.468 -4.202 -8.549 1.00 0.57 C ATOM 241 O ASP A 17 16.354 -4.437 -7.729 1.00 0.62 O ATOM 242 CB ASP A 17 17.199 -3.089 -9.968 1.00 0.77 C ATOM 243 CG ASP A 17 17.687 -2.765 -11.367 1.00 1.61 C ATOM 244 OD1 ASP A 17 17.904 -3.710 -12.154 1.00 1.86 O ATOM 245 OD2 ASP A 17 17.851 -1.566 -11.676 1.00 2.48 O ATOM 0 H ASP A 17 14.369 -2.233 -9.754 1.00 0.58 H new ATOM 0 HA ASP A 17 15.822 -4.609 -10.618 1.00 0.63 H new ATOM 0 HB2 ASP A 17 17.169 -2.174 -9.377 1.00 0.77 H new ATOM 0 HB3 ASP A 17 17.912 -3.757 -9.485 1.00 0.77 H new ATOM 249 N ILE A 18 14.172 -4.341 -8.272 1.00 0.51 N ATOM 250 CA ILE A 18 13.709 -4.778 -6.955 1.00 0.50 C ATOM 251 C ILE A 18 14.539 -5.948 -6.430 1.00 0.50 C ATOM 252 O ILE A 18 15.023 -6.775 -7.203 1.00 0.57 O ATOM 253 CB ILE A 18 12.227 -5.197 -6.988 1.00 0.48 C ATOM 254 CG1 ILE A 18 11.761 -5.610 -5.592 1.00 0.52 C ATOM 255 CG2 ILE A 18 12.020 -6.331 -7.981 1.00 0.47 C ATOM 256 CD1 ILE A 18 10.325 -6.087 -5.547 1.00 0.56 C ATOM 0 H ILE A 18 13.424 -4.158 -8.941 1.00 0.51 H new ATOM 0 HA ILE A 18 13.827 -3.924 -6.287 1.00 0.50 H new ATOM 0 HB ILE A 18 11.630 -4.345 -7.311 1.00 0.48 H new ATOM 0 HG12 ILE A 18 12.410 -6.404 -5.222 1.00 0.52 H new ATOM 0 HG13 ILE A 18 11.875 -4.763 -4.915 1.00 0.52 H new ATOM 0 HG21 ILE A 18 10.968 -6.616 -7.993 1.00 0.47 H new ATOM 0 HG22 ILE A 18 12.318 -6.002 -8.976 1.00 0.47 H new ATOM 0 HG23 ILE A 18 12.625 -7.188 -7.686 1.00 0.47 H new ATOM 0 HD11 ILE A 18 10.065 -6.363 -4.525 1.00 0.56 H new ATOM 0 HD12 ILE A 18 9.665 -5.288 -5.886 1.00 0.56 H new ATOM 0 HD13 ILE A 18 10.209 -6.954 -6.197 1.00 0.56 H new ATOM 267 N SER A 19 14.696 -6.012 -5.112 1.00 0.57 N ATOM 268 CA SER A 19 15.467 -7.078 -4.485 1.00 0.59 C ATOM 269 C SER A 19 14.555 -8.208 -4.014 1.00 0.52 C ATOM 270 O SER A 19 13.368 -7.994 -3.768 1.00 0.50 O ATOM 271 CB SER A 19 16.270 -6.528 -3.303 1.00 0.70 C ATOM 272 OG SER A 19 17.174 -5.522 -3.725 1.00 1.50 O ATOM 0 H SER A 19 14.299 -5.338 -4.458 1.00 0.57 H new ATOM 0 HA SER A 19 16.156 -7.479 -5.229 1.00 0.59 H new ATOM 0 HB2 SER A 19 15.590 -6.120 -2.556 1.00 0.70 H new ATOM 0 HB3 SER A 19 16.820 -7.338 -2.825 1.00 0.70 H new ATOM 0 HG SER A 19 17.673 -5.186 -2.952 1.00 1.50 H new ATOM 277 N PRO A 20 15.103 -9.430 -3.884 1.00 0.54 N ATOM 278 CA PRO A 20 14.331 -10.596 -3.441 1.00 0.51 C ATOM 279 C PRO A 20 13.881 -10.468 -1.992 1.00 0.53 C ATOM 280 O PRO A 20 12.820 -10.964 -1.616 1.00 0.51 O ATOM 281 CB PRO A 20 15.311 -11.759 -3.593 1.00 0.55 C ATOM 282 CG PRO A 20 16.658 -11.131 -3.534 1.00 0.61 C ATOM 283 CD PRO A 20 16.509 -9.771 -4.158 1.00 0.61 C ATOM 0 HA PRO A 20 13.415 -10.720 -4.019 1.00 0.51 H new ATOM 0 HB2 PRO A 20 15.181 -12.492 -2.797 1.00 0.55 H new ATOM 0 HB3 PRO A 20 15.160 -12.283 -4.537 1.00 0.55 H new ATOM 0 HG2 PRO A 20 17.007 -11.052 -2.504 1.00 0.61 H new ATOM 0 HG3 PRO A 20 17.392 -11.730 -4.074 1.00 0.61 H new ATOM 0 HD2 PRO A 20 17.193 -9.047 -3.715 1.00 0.61 H new ATOM 0 HD3 PRO A 20 16.717 -9.793 -5.228 1.00 0.61 H new ATOM 288 N ALA A 21 14.694 -9.802 -1.177 1.00 0.58 N ATOM 289 CA ALA A 21 14.368 -9.608 0.232 1.00 0.64 C ATOM 290 C ALA A 21 12.942 -9.093 0.382 1.00 0.62 C ATOM 291 O ALA A 21 12.180 -9.567 1.226 1.00 0.65 O ATOM 292 CB ALA A 21 15.352 -8.647 0.879 1.00 0.71 C ATOM 0 H ALA A 21 15.580 -9.389 -1.467 1.00 0.58 H new ATOM 0 HA ALA A 21 14.443 -10.570 0.739 1.00 0.64 H new ATOM 0 HB1 ALA A 21 15.094 -8.514 1.930 1.00 0.71 H new ATOM 0 HB2 ALA A 21 16.361 -9.053 0.802 1.00 0.71 H new ATOM 0 HB3 ALA A 21 15.308 -7.684 0.370 1.00 0.71 H new ATOM 298 N TYR A 22 12.591 -8.116 -0.446 1.00 0.60 N ATOM 299 CA TYR A 22 11.255 -7.538 -0.428 1.00 0.61 C ATOM 300 C TYR A 22 10.309 -8.363 -1.295 1.00 0.54 C ATOM 301 O TYR A 22 9.207 -8.712 -0.872 1.00 0.57 O ATOM 302 CB TYR A 22 11.293 -6.092 -0.927 1.00 0.66 C ATOM 303 CG TYR A 22 12.146 -5.175 -0.080 1.00 0.90 C ATOM 304 CD1 TYR A 22 11.621 -4.550 1.043 1.00 0.99 C ATOM 305 CD2 TYR A 22 13.475 -4.933 -0.404 1.00 1.28 C ATOM 306 CE1 TYR A 22 12.395 -3.710 1.819 1.00 1.34 C ATOM 307 CE2 TYR A 22 14.256 -4.093 0.367 1.00 1.72 C ATOM 308 CZ TYR A 22 13.711 -3.484 1.478 1.00 1.72 C ATOM 309 OH TYR A 22 14.484 -2.647 2.249 1.00 2.17 O ATOM 0 H TYR A 22 13.217 -7.707 -1.140 1.00 0.60 H new ATOM 0 HA TYR A 22 10.890 -7.546 0.599 1.00 0.61 H new ATOM 0 HB2 TYR A 22 11.669 -6.081 -1.950 1.00 0.66 H new ATOM 0 HB3 TYR A 22 10.276 -5.701 -0.957 1.00 0.66 H new ATOM 0 HD1 TYR A 22 10.590 -4.724 1.314 1.00 0.99 H new ATOM 0 HD2 TYR A 22 13.905 -5.409 -1.273 1.00 1.28 H new ATOM 0 HE1 TYR A 22 11.971 -3.232 2.690 1.00 1.34 H new ATOM 0 HE2 TYR A 22 15.287 -3.914 0.101 1.00 1.72 H new ATOM 0 HH TYR A 22 15.387 -2.597 1.872 1.00 2.17 H new ATOM 318 N ARG A 23 10.749 -8.674 -2.509 1.00 0.48 N ATOM 319 CA ARG A 23 9.944 -9.456 -3.441 1.00 0.44 C ATOM 320 C ARG A 23 9.552 -10.800 -2.832 1.00 0.45 C ATOM 321 O ARG A 23 8.369 -11.092 -2.660 1.00 0.45 O ATOM 322 CB ARG A 23 10.711 -9.682 -4.744 1.00 0.45 C ATOM 323 CG ARG A 23 9.947 -10.507 -5.766 1.00 0.54 C ATOM 324 CD ARG A 23 8.698 -9.785 -6.248 1.00 0.53 C ATOM 325 NE ARG A 23 8.002 -10.536 -7.288 1.00 0.70 N ATOM 326 CZ ARG A 23 6.991 -10.049 -8.000 1.00 1.08 C ATOM 327 NH1 ARG A 23 6.556 -8.814 -7.782 1.00 1.57 N ATOM 328 NH2 ARG A 23 6.413 -10.796 -8.929 1.00 1.47 N ATOM 0 H ARG A 23 11.661 -8.396 -2.872 1.00 0.48 H new ATOM 0 HA ARG A 23 9.034 -8.894 -3.653 1.00 0.44 H new ATOM 0 HB2 ARG A 23 10.959 -8.715 -5.182 1.00 0.45 H new ATOM 0 HB3 ARG A 23 11.654 -10.181 -4.519 1.00 0.45 H new ATOM 0 HG2 ARG A 23 10.594 -10.724 -6.616 1.00 0.54 H new ATOM 0 HG3 ARG A 23 9.668 -11.464 -5.326 1.00 0.54 H new ATOM 0 HD2 ARG A 23 8.025 -9.622 -5.406 1.00 0.53 H new ATOM 0 HD3 ARG A 23 8.972 -8.802 -6.632 1.00 0.53 H new ATOM 0 HE ARG A 23 8.309 -11.490 -7.479 1.00 0.70 H new ATOM 0 HH11 ARG A 23 6.998 -8.236 -7.067 1.00 1.57 H new ATOM 0 HH12 ARG A 23 5.780 -8.443 -8.330 1.00 1.57 H new ATOM 0 HH21 ARG A 23 6.744 -11.746 -9.098 1.00 1.47 H new ATOM 0 HH22 ARG A 23 5.637 -10.421 -9.475 1.00 1.47 H new ATOM 339 N GLN A 24 10.553 -11.613 -2.509 1.00 0.49 N ATOM 340 CA GLN A 24 10.312 -12.926 -1.921 1.00 0.55 C ATOM 341 C GLN A 24 9.384 -12.825 -0.715 1.00 0.58 C ATOM 342 O GLN A 24 8.562 -13.711 -0.476 1.00 0.66 O ATOM 343 CB GLN A 24 11.640 -13.573 -1.519 1.00 0.69 C ATOM 344 CG GLN A 24 11.490 -14.927 -0.839 1.00 1.52 C ATOM 345 CD GLN A 24 11.212 -14.811 0.648 1.00 2.03 C ATOM 346 OE1 GLN A 24 10.060 -14.788 1.078 1.00 2.61 O ATOM 347 NE2 GLN A 24 12.273 -14.736 1.444 1.00 2.69 N ATOM 0 H GLN A 24 11.538 -11.386 -2.644 1.00 0.49 H new ATOM 0 HA GLN A 24 9.824 -13.551 -2.669 1.00 0.55 H new ATOM 0 HB2 GLN A 24 12.258 -13.692 -2.409 1.00 0.69 H new ATOM 0 HB3 GLN A 24 12.172 -12.898 -0.848 1.00 0.69 H new ATOM 0 HG2 GLN A 24 10.679 -15.479 -1.314 1.00 1.52 H new ATOM 0 HG3 GLN A 24 12.401 -15.507 -0.990 1.00 1.52 H new ATOM 0 HE21 GLN A 24 13.212 -14.759 1.046 1.00 2.69 H new ATOM 0 HE22 GLN A 24 12.149 -14.656 2.453 1.00 2.69 H new ATOM 354 N LYS A 25 9.507 -11.734 0.035 1.00 0.59 N ATOM 355 CA LYS A 25 8.689 -11.519 1.217 1.00 0.68 C ATOM 356 C LYS A 25 7.203 -11.469 0.862 1.00 0.61 C ATOM 357 O LYS A 25 6.367 -12.023 1.576 1.00 0.71 O ATOM 358 CB LYS A 25 9.119 -10.223 1.913 1.00 0.79 C ATOM 359 CG LYS A 25 8.176 -9.775 3.012 1.00 0.99 C ATOM 360 CD LYS A 25 8.603 -8.440 3.603 1.00 1.43 C ATOM 361 CE LYS A 25 8.490 -7.319 2.583 1.00 2.05 C ATOM 362 NZ LYS A 25 8.943 -6.014 3.137 1.00 2.59 N ATOM 0 H LYS A 25 10.170 -10.983 -0.159 1.00 0.59 H new ATOM 0 HA LYS A 25 8.837 -12.358 1.897 1.00 0.68 H new ATOM 0 HB2 LYS A 25 10.114 -10.362 2.336 1.00 0.79 H new ATOM 0 HB3 LYS A 25 9.196 -9.431 1.169 1.00 0.79 H new ATOM 0 HG2 LYS A 25 7.165 -9.691 2.613 1.00 0.99 H new ATOM 0 HG3 LYS A 25 8.147 -10.530 3.798 1.00 0.99 H new ATOM 0 HD2 LYS A 25 7.983 -8.209 4.469 1.00 1.43 H new ATOM 0 HD3 LYS A 25 9.632 -8.510 3.957 1.00 1.43 H new ATOM 0 HE2 LYS A 25 9.086 -7.567 1.705 1.00 2.05 H new ATOM 0 HE3 LYS A 25 7.455 -7.233 2.252 1.00 2.05 H new ATOM 0 HZ1 LYS A 25 8.850 -5.277 2.409 1.00 2.59 H new ATOM 0 HZ2 LYS A 25 8.358 -5.764 3.960 1.00 2.59 H new ATOM 0 HZ3 LYS A 25 9.938 -6.088 3.429 1.00 2.59 H new ATOM 372 N LEU A 26 6.878 -10.806 -0.244 1.00 0.55 N ATOM 373 CA LEU A 26 5.489 -10.691 -0.684 1.00 0.57 C ATOM 374 C LEU A 26 4.987 -12.007 -1.274 1.00 0.60 C ATOM 375 O LEU A 26 3.946 -12.524 -0.867 1.00 0.68 O ATOM 376 CB LEU A 26 5.345 -9.572 -1.719 1.00 0.55 C ATOM 377 CG LEU A 26 5.254 -8.158 -1.141 1.00 0.69 C ATOM 378 CD1 LEU A 26 6.542 -7.786 -0.426 1.00 1.30 C ATOM 379 CD2 LEU A 26 4.946 -7.154 -2.240 1.00 1.29 C ATOM 0 H LEU A 26 7.554 -10.341 -0.851 1.00 0.55 H new ATOM 0 HA LEU A 26 4.883 -10.450 0.190 1.00 0.57 H new ATOM 0 HB2 LEU A 26 6.196 -9.615 -2.398 1.00 0.55 H new ATOM 0 HB3 LEU A 26 4.452 -9.762 -2.314 1.00 0.55 H new ATOM 0 HG LEU A 26 4.442 -8.136 -0.415 1.00 0.69 H new ATOM 0 HD11 LEU A 26 6.456 -6.777 -0.023 1.00 1.30 H new ATOM 0 HD12 LEU A 26 6.722 -8.488 0.388 1.00 1.30 H new ATOM 0 HD13 LEU A 26 7.373 -7.826 -1.130 1.00 1.30 H new ATOM 0 HD21 LEU A 26 4.885 -6.153 -1.812 1.00 1.29 H new ATOM 0 HD22 LEU A 26 5.737 -7.180 -2.989 1.00 1.29 H new ATOM 0 HD23 LEU A 26 3.995 -7.407 -2.708 1.00 1.29 H new ATOM 390 N LEU A 27 5.733 -12.544 -2.236 1.00 0.59 N ATOM 391 CA LEU A 27 5.368 -13.800 -2.885 1.00 0.71 C ATOM 392 C LEU A 27 4.964 -14.860 -1.865 1.00 0.82 C ATOM 393 O LEU A 27 4.053 -15.652 -2.103 1.00 0.95 O ATOM 394 CB LEU A 27 6.533 -14.317 -3.732 1.00 0.75 C ATOM 395 CG LEU A 27 6.904 -13.441 -4.930 1.00 0.71 C ATOM 396 CD1 LEU A 27 8.149 -13.978 -5.619 1.00 0.82 C ATOM 397 CD2 LEU A 27 5.743 -13.364 -5.910 1.00 0.77 C ATOM 0 H LEU A 27 6.597 -12.127 -2.584 1.00 0.59 H new ATOM 0 HA LEU A 27 4.510 -13.602 -3.528 1.00 0.71 H new ATOM 0 HB2 LEU A 27 7.409 -14.420 -3.092 1.00 0.75 H new ATOM 0 HB3 LEU A 27 6.284 -15.314 -4.094 1.00 0.75 H new ATOM 0 HG LEU A 27 7.119 -12.435 -4.569 1.00 0.71 H new ATOM 0 HD11 LEU A 27 8.398 -13.342 -6.469 1.00 0.82 H new ATOM 0 HD12 LEU A 27 8.981 -13.984 -4.915 1.00 0.82 H new ATOM 0 HD13 LEU A 27 7.962 -14.993 -5.968 1.00 0.82 H new ATOM 0 HD21 LEU A 27 6.023 -12.737 -6.757 1.00 0.77 H new ATOM 0 HD22 LEU A 27 5.499 -14.365 -6.265 1.00 0.77 H new ATOM 0 HD23 LEU A 27 4.874 -12.934 -5.412 1.00 0.77 H new ATOM 408 N SER A 28 5.648 -14.870 -0.725 1.00 0.84 N ATOM 409 CA SER A 28 5.369 -15.838 0.329 1.00 0.98 C ATOM 410 C SER A 28 4.016 -15.570 0.986 1.00 0.89 C ATOM 411 O SER A 28 3.407 -16.475 1.559 1.00 0.99 O ATOM 412 CB SER A 28 6.475 -15.802 1.386 1.00 1.15 C ATOM 413 OG SER A 28 6.560 -14.524 1.993 1.00 1.64 O ATOM 0 H SER A 28 6.401 -14.217 -0.508 1.00 0.84 H new ATOM 0 HA SER A 28 5.336 -16.827 -0.127 1.00 0.98 H new ATOM 0 HB2 SER A 28 6.279 -16.557 2.147 1.00 1.15 H new ATOM 0 HB3 SER A 28 7.430 -16.054 0.926 1.00 1.15 H new ATOM 0 HG SER A 28 6.290 -13.837 1.348 1.00 1.64 H new ATOM 418 N LEU A 29 3.553 -14.328 0.901 1.00 0.78 N ATOM 419 CA LEU A 29 2.273 -13.948 1.493 1.00 0.78 C ATOM 420 C LEU A 29 1.159 -13.973 0.452 1.00 0.74 C ATOM 421 O LEU A 29 -0.016 -14.122 0.790 1.00 0.82 O ATOM 422 CB LEU A 29 2.371 -12.558 2.121 1.00 0.86 C ATOM 423 CG LEU A 29 3.462 -12.403 3.182 1.00 1.06 C ATOM 424 CD1 LEU A 29 3.471 -10.990 3.740 1.00 1.64 C ATOM 425 CD2 LEU A 29 3.262 -13.418 4.297 1.00 1.42 C ATOM 0 H LEU A 29 4.043 -13.568 0.429 1.00 0.78 H new ATOM 0 HA LEU A 29 2.032 -14.674 2.270 1.00 0.78 H new ATOM 0 HB2 LEU A 29 2.549 -11.830 1.330 1.00 0.86 H new ATOM 0 HB3 LEU A 29 1.410 -12.311 2.571 1.00 0.86 H new ATOM 0 HG LEU A 29 4.428 -12.589 2.713 1.00 1.06 H new ATOM 0 HD11 LEU A 29 4.254 -10.901 4.493 1.00 1.64 H new ATOM 0 HD12 LEU A 29 3.661 -10.282 2.934 1.00 1.64 H new ATOM 0 HD13 LEU A 29 2.504 -10.772 4.194 1.00 1.64 H new ATOM 0 HD21 LEU A 29 4.046 -13.296 5.045 1.00 1.42 H new ATOM 0 HD22 LEU A 29 2.289 -13.261 4.762 1.00 1.42 H new ATOM 0 HD23 LEU A 29 3.308 -14.426 3.884 1.00 1.42 H new ATOM 436 N GLY A 30 1.532 -13.825 -0.815 1.00 0.68 N ATOM 437 CA GLY A 30 0.548 -13.834 -1.883 1.00 0.73 C ATOM 438 C GLY A 30 0.177 -12.441 -2.361 1.00 0.71 C ATOM 439 O GLY A 30 -0.741 -12.282 -3.165 1.00 0.82 O ATOM 0 H GLY A 30 2.497 -13.699 -1.122 1.00 0.68 H new ATOM 0 HA2 GLY A 30 0.938 -14.409 -2.723 1.00 0.73 H new ATOM 0 HA3 GLY A 30 -0.351 -14.345 -1.537 1.00 0.73 H new ATOM 443 N MET A 31 0.888 -11.427 -1.871 1.00 0.63 N ATOM 444 CA MET A 31 0.619 -10.049 -2.261 1.00 0.66 C ATOM 445 C MET A 31 1.442 -9.664 -3.486 1.00 0.56 C ATOM 446 O MET A 31 2.573 -9.192 -3.365 1.00 0.54 O ATOM 447 CB MET A 31 0.920 -9.095 -1.102 1.00 0.74 C ATOM 448 CG MET A 31 -0.094 -9.167 0.031 1.00 0.94 C ATOM 449 SD MET A 31 -0.171 -10.794 0.803 1.00 1.95 S ATOM 450 CE MET A 31 -1.493 -10.545 1.983 1.00 2.55 C ATOM 0 H MET A 31 1.653 -11.536 -1.205 1.00 0.63 H new ATOM 0 HA MET A 31 -0.438 -9.969 -2.515 1.00 0.66 H new ATOM 0 HB2 MET A 31 1.910 -9.320 -0.706 1.00 0.74 H new ATOM 0 HB3 MET A 31 0.954 -8.074 -1.483 1.00 0.74 H new ATOM 0 HG2 MET A 31 0.160 -8.424 0.787 1.00 0.94 H new ATOM 0 HG3 MET A 31 -1.080 -8.906 -0.354 1.00 0.94 H new ATOM 0 HE1 MET A 31 -1.661 -11.466 2.541 1.00 2.55 H new ATOM 0 HE2 MET A 31 -1.219 -9.747 2.673 1.00 2.55 H new ATOM 0 HE3 MET A 31 -2.406 -10.270 1.454 1.00 2.55 H new ATOM 458 N LEU A 32 0.867 -9.878 -4.665 1.00 0.56 N ATOM 459 CA LEU A 32 1.544 -9.557 -5.918 1.00 0.49 C ATOM 460 C LEU A 32 1.146 -8.169 -6.408 1.00 0.44 C ATOM 461 O LEU A 32 0.118 -7.630 -5.998 1.00 0.45 O ATOM 462 CB LEU A 32 1.203 -10.599 -6.987 1.00 0.52 C ATOM 463 CG LEU A 32 1.726 -12.012 -6.713 1.00 0.59 C ATOM 464 CD1 LEU A 32 1.149 -12.554 -5.415 1.00 0.69 C ATOM 465 CD2 LEU A 32 1.390 -12.935 -7.875 1.00 0.66 C ATOM 0 H LEU A 32 -0.067 -10.272 -4.780 1.00 0.56 H new ATOM 0 HA LEU A 32 2.619 -9.568 -5.735 1.00 0.49 H new ATOM 0 HB2 LEU A 32 0.119 -10.645 -7.094 1.00 0.52 H new ATOM 0 HB3 LEU A 32 1.603 -10.260 -7.942 1.00 0.52 H new ATOM 0 HG LEU A 32 2.810 -11.965 -6.611 1.00 0.59 H new ATOM 0 HD11 LEU A 32 1.532 -13.559 -5.238 1.00 0.69 H new ATOM 0 HD12 LEU A 32 1.438 -11.904 -4.589 1.00 0.69 H new ATOM 0 HD13 LEU A 32 0.062 -12.588 -5.486 1.00 0.69 H new ATOM 0 HD21 LEU A 32 1.768 -13.936 -7.666 1.00 0.66 H new ATOM 0 HD22 LEU A 32 0.309 -12.976 -8.006 1.00 0.66 H new ATOM 0 HD23 LEU A 32 1.852 -12.556 -8.786 1.00 0.66 H new ATOM 476 N PRO A 33 1.957 -7.570 -7.300 1.00 0.41 N ATOM 477 CA PRO A 33 1.674 -6.242 -7.844 1.00 0.40 C ATOM 478 C PRO A 33 0.217 -6.100 -8.263 1.00 0.38 C ATOM 479 O PRO A 33 -0.283 -6.869 -9.086 1.00 0.51 O ATOM 480 CB PRO A 33 2.600 -6.162 -9.056 1.00 0.43 C ATOM 481 CG PRO A 33 3.757 -7.028 -8.699 1.00 0.45 C ATOM 482 CD PRO A 33 3.205 -8.139 -7.844 1.00 0.43 C ATOM 0 HA PRO A 33 1.838 -5.447 -7.117 1.00 0.40 H new ATOM 0 HB2 PRO A 33 2.103 -6.516 -9.959 1.00 0.43 H new ATOM 0 HB3 PRO A 33 2.916 -5.136 -9.247 1.00 0.43 H new ATOM 0 HG2 PRO A 33 4.235 -7.427 -9.594 1.00 0.45 H new ATOM 0 HG3 PRO A 33 4.515 -6.461 -8.158 1.00 0.45 H new ATOM 0 HD2 PRO A 33 3.014 -9.038 -8.429 1.00 0.43 H new ATOM 0 HD3 PRO A 33 3.899 -8.417 -7.050 1.00 0.43 H new ATOM 487 N GLY A 34 -0.460 -5.112 -7.692 1.00 0.34 N ATOM 488 CA GLY A 34 -1.856 -4.888 -8.007 1.00 0.33 C ATOM 489 C GLY A 34 -2.771 -5.304 -6.870 1.00 0.31 C ATOM 490 O GLY A 34 -3.946 -5.603 -7.086 1.00 0.40 O ATOM 0 H GLY A 34 -0.065 -4.460 -7.014 1.00 0.34 H new ATOM 0 HA2 GLY A 34 -2.012 -3.833 -8.230 1.00 0.33 H new ATOM 0 HA3 GLY A 34 -2.119 -5.446 -8.906 1.00 0.33 H new ATOM 494 N SER A 35 -2.227 -5.325 -5.657 1.00 0.28 N ATOM 495 CA SER A 35 -2.994 -5.711 -4.478 1.00 0.28 C ATOM 496 C SER A 35 -3.709 -4.505 -3.875 1.00 0.28 C ATOM 497 O SER A 35 -3.512 -3.373 -4.315 1.00 0.37 O ATOM 498 CB SER A 35 -2.078 -6.352 -3.433 1.00 0.31 C ATOM 499 OG SER A 35 -2.806 -6.731 -2.278 1.00 0.62 O ATOM 0 H SER A 35 -1.256 -5.079 -5.465 1.00 0.28 H new ATOM 0 HA SER A 35 -3.745 -6.439 -4.786 1.00 0.28 H new ATOM 0 HB2 SER A 35 -1.589 -7.227 -3.862 1.00 0.31 H new ATOM 0 HB3 SER A 35 -1.291 -5.651 -3.156 1.00 0.31 H new ATOM 0 HG SER A 35 -2.198 -7.139 -1.627 1.00 0.62 H new ATOM 504 N SER A 36 -4.539 -4.756 -2.866 1.00 0.25 N ATOM 505 CA SER A 36 -5.286 -3.691 -2.203 1.00 0.25 C ATOM 506 C SER A 36 -5.003 -3.676 -0.703 1.00 0.23 C ATOM 507 O SER A 36 -4.813 -4.726 -0.087 1.00 0.28 O ATOM 508 CB SER A 36 -6.787 -3.864 -2.447 1.00 0.30 C ATOM 509 OG SER A 36 -7.530 -2.840 -1.810 1.00 1.30 O ATOM 0 H SER A 36 -4.711 -5.688 -2.489 1.00 0.25 H new ATOM 0 HA SER A 36 -4.962 -2.740 -2.625 1.00 0.25 H new ATOM 0 HB2 SER A 36 -6.988 -3.850 -3.518 1.00 0.30 H new ATOM 0 HB3 SER A 36 -7.109 -4.836 -2.074 1.00 0.30 H new ATOM 0 HG SER A 36 -8.485 -2.973 -1.983 1.00 1.30 H new ATOM 514 N PHE A 37 -4.976 -2.481 -0.120 1.00 0.22 N ATOM 515 CA PHE A 37 -4.721 -2.331 1.310 1.00 0.23 C ATOM 516 C PHE A 37 -5.239 -0.989 1.817 1.00 0.23 C ATOM 517 O PHE A 37 -5.816 -0.208 1.060 1.00 0.33 O ATOM 518 CB PHE A 37 -3.224 -2.454 1.597 1.00 0.25 C ATOM 519 CG PHE A 37 -2.421 -1.279 1.113 1.00 0.26 C ATOM 520 CD1 PHE A 37 -2.148 -1.117 -0.236 1.00 0.32 C ATOM 521 CD2 PHE A 37 -1.941 -0.335 2.007 1.00 0.27 C ATOM 522 CE1 PHE A 37 -1.413 -0.037 -0.683 1.00 0.36 C ATOM 523 CE2 PHE A 37 -1.204 0.747 1.566 1.00 0.30 C ATOM 524 CZ PHE A 37 -0.940 0.897 0.218 1.00 0.33 C ATOM 0 H PHE A 37 -5.127 -1.602 -0.615 1.00 0.22 H new ATOM 0 HA PHE A 37 -5.251 -3.126 1.834 1.00 0.23 H new ATOM 0 HB2 PHE A 37 -3.076 -2.567 2.671 1.00 0.25 H new ATOM 0 HB3 PHE A 37 -2.845 -3.361 1.126 1.00 0.25 H new ATOM 0 HD1 PHE A 37 -2.514 -1.844 -0.946 1.00 0.32 H new ATOM 0 HD2 PHE A 37 -2.146 -0.447 3.062 1.00 0.27 H new ATOM 0 HE1 PHE A 37 -1.208 0.077 -1.737 1.00 0.36 H new ATOM 0 HE2 PHE A 37 -0.835 1.474 2.274 1.00 0.30 H new ATOM 0 HZ PHE A 37 -0.365 1.742 -0.130 1.00 0.33 H new ATOM 533 N HIS A 38 -5.023 -0.724 3.102 1.00 0.21 N ATOM 534 CA HIS A 38 -5.468 0.526 3.709 1.00 0.24 C ATOM 535 C HIS A 38 -4.349 1.170 4.522 1.00 0.24 C ATOM 536 O HIS A 38 -3.686 0.507 5.319 1.00 0.40 O ATOM 537 CB HIS A 38 -6.684 0.279 4.603 1.00 0.28 C ATOM 538 CG HIS A 38 -7.227 1.526 5.230 1.00 1.17 C ATOM 539 ND1 HIS A 38 -8.331 2.194 4.743 1.00 2.13 N ATOM 540 CD2 HIS A 38 -6.815 2.225 6.315 1.00 1.98 C ATOM 541 CE1 HIS A 38 -8.573 3.249 5.501 1.00 2.94 C ATOM 542 NE2 HIS A 38 -7.668 3.291 6.461 1.00 2.82 N ATOM 0 H HIS A 38 -4.543 -1.357 3.742 1.00 0.21 H new ATOM 0 HA HIS A 38 -5.747 1.208 2.906 1.00 0.24 H new ATOM 0 HB2 HIS A 38 -7.469 -0.193 4.013 1.00 0.28 H new ATOM 0 HB3 HIS A 38 -6.410 -0.424 5.389 1.00 0.28 H new ATOM 0 HD2 HIS A 38 -5.972 1.988 6.947 1.00 1.98 H new ATOM 0 HE1 HIS A 38 -9.376 3.957 5.359 1.00 2.94 H new ATOM 0 HE2 HIS A 38 -7.612 4.000 7.192 1.00 2.82 H new ATOM 550 N VAL A 39 -4.146 2.468 4.314 1.00 0.27 N ATOM 551 CA VAL A 39 -3.109 3.205 5.028 1.00 0.27 C ATOM 552 C VAL A 39 -3.557 3.545 6.446 1.00 0.28 C ATOM 553 O VAL A 39 -4.689 3.980 6.661 1.00 0.40 O ATOM 554 CB VAL A 39 -2.737 4.505 4.290 1.00 0.39 C ATOM 555 CG1 VAL A 39 -3.958 5.394 4.123 1.00 1.28 C ATOM 556 CG2 VAL A 39 -1.629 5.241 5.028 1.00 0.88 C ATOM 0 H VAL A 39 -4.686 3.031 3.657 1.00 0.27 H new ATOM 0 HA VAL A 39 -2.232 2.559 5.073 1.00 0.27 H new ATOM 0 HB VAL A 39 -2.369 4.244 3.298 1.00 0.39 H new ATOM 0 HG11 VAL A 39 -3.674 6.307 3.600 1.00 1.28 H new ATOM 0 HG12 VAL A 39 -4.717 4.866 3.546 1.00 1.28 H new ATOM 0 HG13 VAL A 39 -4.360 5.648 5.104 1.00 1.28 H new ATOM 0 HG21 VAL A 39 -1.380 6.157 4.491 1.00 0.88 H new ATOM 0 HG22 VAL A 39 -1.965 5.490 6.034 1.00 0.88 H new ATOM 0 HG23 VAL A 39 -0.746 4.604 5.088 1.00 0.88 H new ATOM 566 N VAL A 40 -2.665 3.347 7.414 1.00 0.24 N ATOM 567 CA VAL A 40 -2.980 3.628 8.810 1.00 0.34 C ATOM 568 C VAL A 40 -2.546 5.034 9.218 1.00 0.37 C ATOM 569 O VAL A 40 -3.340 5.805 9.758 1.00 0.54 O ATOM 570 CB VAL A 40 -2.313 2.605 9.748 1.00 0.41 C ATOM 571 CG1 VAL A 40 -2.672 2.892 11.198 1.00 0.54 C ATOM 572 CG2 VAL A 40 -2.711 1.188 9.364 1.00 0.43 C ATOM 0 H VAL A 40 -1.721 2.994 7.257 1.00 0.24 H new ATOM 0 HA VAL A 40 -4.063 3.554 8.904 1.00 0.34 H new ATOM 0 HB VAL A 40 -1.232 2.696 9.642 1.00 0.41 H new ATOM 0 HG11 VAL A 40 -2.191 2.158 11.844 1.00 0.54 H new ATOM 0 HG12 VAL A 40 -2.330 3.891 11.467 1.00 0.54 H new ATOM 0 HG13 VAL A 40 -3.753 2.833 11.324 1.00 0.54 H new ATOM 0 HG21 VAL A 40 -2.230 0.480 10.038 1.00 0.43 H new ATOM 0 HG22 VAL A 40 -3.793 1.081 9.438 1.00 0.43 H new ATOM 0 HG23 VAL A 40 -2.396 0.986 8.340 1.00 0.43 H new ATOM 582 N ARG A 41 -1.284 5.362 8.959 1.00 0.27 N ATOM 583 CA ARG A 41 -0.753 6.675 9.311 1.00 0.31 C ATOM 584 C ARG A 41 0.411 7.060 8.404 1.00 0.31 C ATOM 585 O ARG A 41 1.261 6.230 8.082 1.00 0.40 O ATOM 586 CB ARG A 41 -0.294 6.679 10.770 1.00 0.40 C ATOM 587 CG ARG A 41 0.875 5.746 11.042 1.00 0.47 C ATOM 588 CD ARG A 41 1.147 5.610 12.531 1.00 0.57 C ATOM 589 NE ARG A 41 0.032 4.980 13.232 1.00 1.37 N ATOM 590 CZ ARG A 41 -0.141 5.045 14.547 1.00 1.62 C ATOM 591 NH1 ARG A 41 0.720 5.714 15.300 1.00 0.94 N ATOM 592 NH2 ARG A 41 -1.179 4.442 15.110 1.00 2.80 N ATOM 0 H ARG A 41 -0.612 4.740 8.509 1.00 0.27 H new ATOM 0 HA ARG A 41 -1.548 7.408 9.177 1.00 0.31 H new ATOM 0 HB2 ARG A 41 -0.011 7.694 11.051 1.00 0.40 H new ATOM 0 HB3 ARG A 41 -1.132 6.394 11.407 1.00 0.40 H new ATOM 0 HG2 ARG A 41 0.664 4.764 10.619 1.00 0.47 H new ATOM 0 HG3 ARG A 41 1.767 6.123 10.542 1.00 0.47 H new ATOM 0 HD2 ARG A 41 2.051 5.020 12.683 1.00 0.57 H new ATOM 0 HD3 ARG A 41 1.334 6.595 12.958 1.00 0.57 H new ATOM 0 HE ARG A 41 -0.652 4.461 12.681 1.00 1.37 H new ATOM 0 HH11 ARG A 41 1.518 6.181 14.870 1.00 0.94 H new ATOM 0 HH12 ARG A 41 0.584 5.762 16.310 1.00 0.94 H new ATOM 0 HH21 ARG A 41 -1.845 3.928 14.533 1.00 2.80 H new ATOM 0 HH22 ARG A 41 -1.312 4.492 16.120 1.00 2.80 H new ATOM 603 N VAL A 42 0.447 8.324 7.995 1.00 0.33 N ATOM 604 CA VAL A 42 1.511 8.813 7.126 1.00 0.39 C ATOM 605 C VAL A 42 1.811 10.283 7.399 1.00 0.43 C ATOM 606 O VAL A 42 0.977 11.007 7.942 1.00 0.49 O ATOM 607 CB VAL A 42 1.146 8.638 5.639 1.00 0.52 C ATOM 608 CG1 VAL A 42 2.343 8.952 4.756 1.00 0.97 C ATOM 609 CG2 VAL A 42 0.640 7.229 5.374 1.00 1.20 C ATOM 0 H VAL A 42 -0.247 9.027 8.251 1.00 0.33 H new ATOM 0 HA VAL A 42 2.398 8.219 7.345 1.00 0.39 H new ATOM 0 HB VAL A 42 0.347 9.339 5.397 1.00 0.52 H new ATOM 0 HG11 VAL A 42 2.067 8.823 3.709 1.00 0.97 H new ATOM 0 HG12 VAL A 42 2.659 9.982 4.924 1.00 0.97 H new ATOM 0 HG13 VAL A 42 3.163 8.277 5.001 1.00 0.97 H new ATOM 0 HG21 VAL A 42 0.388 7.126 4.319 1.00 1.20 H new ATOM 0 HG22 VAL A 42 1.416 6.509 5.634 1.00 1.20 H new ATOM 0 HG23 VAL A 42 -0.247 7.041 5.979 1.00 1.20 H new ATOM 619 N ALA A 43 3.009 10.718 7.020 1.00 0.47 N ATOM 620 CA ALA A 43 3.418 12.101 7.227 1.00 0.55 C ATOM 621 C ALA A 43 3.888 12.740 5.921 1.00 0.69 C ATOM 622 O ALA A 43 4.514 12.082 5.091 1.00 0.81 O ATOM 623 CB ALA A 43 4.518 12.172 8.276 1.00 0.55 C ATOM 0 H ALA A 43 3.712 10.133 6.569 1.00 0.47 H new ATOM 0 HA ALA A 43 2.552 12.660 7.582 1.00 0.55 H new ATOM 0 HB1 ALA A 43 4.815 13.211 8.422 1.00 0.55 H new ATOM 0 HB2 ALA A 43 4.150 11.764 9.217 1.00 0.55 H new ATOM 0 HB3 ALA A 43 5.378 11.592 7.941 1.00 0.55 H new ATOM 629 N PRO A 44 3.585 14.036 5.725 1.00 0.83 N ATOM 630 CA PRO A 44 3.980 14.767 4.516 1.00 1.00 C ATOM 631 C PRO A 44 5.488 14.978 4.429 1.00 0.98 C ATOM 632 O PRO A 44 6.032 15.206 3.348 1.00 1.15 O ATOM 633 CB PRO A 44 3.260 16.111 4.657 1.00 1.14 C ATOM 634 CG PRO A 44 3.044 16.274 6.121 1.00 1.34 C ATOM 635 CD PRO A 44 2.833 14.889 6.666 1.00 1.00 C ATOM 0 HA PRO A 44 3.717 14.221 3.610 1.00 1.00 H new ATOM 0 HB2 PRO A 44 3.860 16.926 4.252 1.00 1.14 H new ATOM 0 HB3 PRO A 44 2.314 16.112 4.115 1.00 1.14 H new ATOM 0 HG2 PRO A 44 3.904 16.751 6.591 1.00 1.34 H new ATOM 0 HG3 PRO A 44 2.179 16.907 6.320 1.00 1.34 H new ATOM 0 HD2 PRO A 44 3.211 14.795 7.684 1.00 1.00 H new ATOM 0 HD3 PRO A 44 1.776 14.624 6.693 1.00 1.00 H new ATOM 640 N LEU A 45 6.160 14.901 5.573 1.00 0.85 N ATOM 641 CA LEU A 45 7.608 15.083 5.624 1.00 0.90 C ATOM 642 C LEU A 45 8.335 13.756 5.439 1.00 0.91 C ATOM 643 O LEU A 45 9.170 13.614 4.546 1.00 1.23 O ATOM 644 CB LEU A 45 8.016 15.718 6.956 1.00 0.90 C ATOM 645 CG LEU A 45 7.704 17.208 7.088 1.00 1.76 C ATOM 646 CD1 LEU A 45 8.475 18.004 6.049 1.00 2.51 C ATOM 647 CD2 LEU A 45 6.209 17.455 6.950 1.00 2.25 C ATOM 0 H LEU A 45 5.726 14.714 6.477 1.00 0.85 H new ATOM 0 HA LEU A 45 7.892 15.747 4.808 1.00 0.90 H new ATOM 0 HB2 LEU A 45 7.514 15.185 7.763 1.00 0.90 H new ATOM 0 HB3 LEU A 45 9.087 15.573 7.096 1.00 0.90 H new ATOM 0 HG LEU A 45 8.015 17.540 8.078 1.00 1.76 H new ATOM 0 HD11 LEU A 45 8.242 19.063 6.156 1.00 2.51 H new ATOM 0 HD12 LEU A 45 9.545 17.851 6.194 1.00 2.51 H new ATOM 0 HD13 LEU A 45 8.192 17.669 5.051 1.00 2.51 H new ATOM 0 HD21 LEU A 45 6.006 18.522 7.047 1.00 2.25 H new ATOM 0 HD22 LEU A 45 5.872 17.109 5.973 1.00 2.25 H new ATOM 0 HD23 LEU A 45 5.677 16.912 7.731 1.00 2.25 H new ATOM 658 N GLY A 46 8.014 12.787 6.291 1.00 0.72 N ATOM 659 CA GLY A 46 8.647 11.485 6.204 1.00 0.72 C ATOM 660 C GLY A 46 8.551 10.710 7.503 1.00 0.66 C ATOM 661 O GLY A 46 9.223 11.038 8.482 1.00 0.77 O ATOM 0 H GLY A 46 7.327 12.881 7.039 1.00 0.72 H new ATOM 0 HA2 GLY A 46 8.180 10.909 5.405 1.00 0.72 H new ATOM 0 HA3 GLY A 46 9.696 11.611 5.935 1.00 0.72 H new ATOM 665 N ASP A 47 7.713 9.680 7.512 1.00 0.53 N ATOM 666 CA ASP A 47 7.526 8.857 8.701 1.00 0.49 C ATOM 667 C ASP A 47 7.209 7.412 8.324 1.00 0.46 C ATOM 668 O ASP A 47 6.972 7.106 7.155 1.00 0.46 O ATOM 669 CB ASP A 47 6.405 9.437 9.567 1.00 0.45 C ATOM 670 CG ASP A 47 6.811 10.734 10.239 1.00 0.78 C ATOM 671 OD1 ASP A 47 6.840 11.776 9.550 1.00 0.94 O ATOM 672 OD2 ASP A 47 7.105 10.710 11.452 1.00 1.07 O ATOM 0 H ASP A 47 7.152 9.395 6.709 1.00 0.53 H new ATOM 0 HA ASP A 47 8.456 8.861 9.270 1.00 0.49 H new ATOM 0 HB2 ASP A 47 5.524 9.611 8.949 1.00 0.45 H new ATOM 0 HB3 ASP A 47 6.122 8.709 10.327 1.00 0.45 H new ATOM 676 N PRO A 48 7.202 6.502 9.313 1.00 0.47 N ATOM 677 CA PRO A 48 6.913 5.092 9.091 1.00 0.47 C ATOM 678 C PRO A 48 5.416 4.815 9.095 1.00 0.37 C ATOM 679 O PRO A 48 4.734 5.031 10.097 1.00 0.38 O ATOM 680 CB PRO A 48 7.590 4.389 10.280 1.00 0.56 C ATOM 681 CG PRO A 48 8.156 5.474 11.148 1.00 0.61 C ATOM 682 CD PRO A 48 7.505 6.760 10.721 1.00 0.53 C ATOM 0 HA PRO A 48 7.273 4.748 8.121 1.00 0.47 H new ATOM 0 HB2 PRO A 48 6.872 3.784 10.833 1.00 0.56 H new ATOM 0 HB3 PRO A 48 8.376 3.716 9.937 1.00 0.56 H new ATOM 0 HG2 PRO A 48 7.956 5.271 12.200 1.00 0.61 H new ATOM 0 HG3 PRO A 48 9.239 5.533 11.035 1.00 0.61 H new ATOM 0 HD2 PRO A 48 6.605 6.972 11.299 1.00 0.53 H new ATOM 0 HD3 PRO A 48 8.171 7.614 10.844 1.00 0.53 H new ATOM 687 N VAL A 49 4.914 4.335 7.966 1.00 0.32 N ATOM 688 CA VAL A 49 3.497 4.037 7.819 1.00 0.26 C ATOM 689 C VAL A 49 3.255 2.529 7.819 1.00 0.28 C ATOM 690 O VAL A 49 4.169 1.739 7.580 1.00 0.39 O ATOM 691 CB VAL A 49 2.935 4.670 6.522 1.00 0.27 C ATOM 692 CG1 VAL A 49 3.880 4.428 5.355 1.00 0.35 C ATOM 693 CG2 VAL A 49 1.536 4.147 6.201 1.00 0.31 C ATOM 0 H VAL A 49 5.471 4.143 7.134 1.00 0.32 H new ATOM 0 HA VAL A 49 2.973 4.470 8.671 1.00 0.26 H new ATOM 0 HB VAL A 49 2.854 5.744 6.687 1.00 0.27 H new ATOM 0 HG11 VAL A 49 3.468 4.880 4.453 1.00 0.35 H new ATOM 0 HG12 VAL A 49 4.850 4.874 5.574 1.00 0.35 H new ATOM 0 HG13 VAL A 49 4.000 3.356 5.201 1.00 0.35 H new ATOM 0 HG21 VAL A 49 1.175 4.614 5.285 1.00 0.31 H new ATOM 0 HG22 VAL A 49 1.574 3.066 6.067 1.00 0.31 H new ATOM 0 HG23 VAL A 49 0.860 4.388 7.022 1.00 0.31 H new ATOM 703 N HIS A 50 2.014 2.143 8.088 1.00 0.29 N ATOM 704 CA HIS A 50 1.640 0.735 8.126 1.00 0.31 C ATOM 705 C HIS A 50 0.498 0.447 7.157 1.00 0.29 C ATOM 706 O HIS A 50 -0.474 1.202 7.082 1.00 0.31 O ATOM 707 CB HIS A 50 1.234 0.332 9.546 1.00 0.34 C ATOM 708 CG HIS A 50 2.380 0.307 10.510 1.00 0.37 C ATOM 709 ND1 HIS A 50 2.600 1.297 11.444 1.00 1.13 N ATOM 710 CD2 HIS A 50 3.371 -0.599 10.683 1.00 1.08 C ATOM 711 CE1 HIS A 50 3.677 1.001 12.150 1.00 0.85 C ATOM 712 NE2 HIS A 50 4.162 -0.145 11.708 1.00 0.68 N ATOM 0 H HIS A 50 1.248 2.787 8.284 1.00 0.29 H new ATOM 0 HA HIS A 50 2.506 0.147 7.822 1.00 0.31 H new ATOM 0 HB2 HIS A 50 0.478 1.027 9.910 1.00 0.34 H new ATOM 0 HB3 HIS A 50 0.772 -0.655 9.517 1.00 0.34 H new ATOM 0 HD2 HIS A 50 3.513 -1.509 10.119 1.00 1.08 H new ATOM 0 HE1 HIS A 50 4.090 1.595 12.952 1.00 0.85 H new ATOM 0 HE2 HIS A 50 4.991 -0.617 12.070 1.00 0.68 H new ATOM 720 N ILE A 51 0.625 -0.649 6.417 1.00 0.32 N ATOM 721 CA ILE A 51 -0.394 -1.046 5.455 1.00 0.32 C ATOM 722 C ILE A 51 -1.255 -2.173 6.011 1.00 0.32 C ATOM 723 O ILE A 51 -0.747 -3.096 6.649 1.00 0.31 O ATOM 724 CB ILE A 51 0.232 -1.506 4.125 1.00 0.34 C ATOM 725 CG1 ILE A 51 1.112 -2.737 4.349 1.00 0.34 C ATOM 726 CG2 ILE A 51 1.038 -0.377 3.501 1.00 0.36 C ATOM 727 CD1 ILE A 51 1.716 -3.286 3.077 1.00 0.36 C ATOM 0 H ILE A 51 1.426 -1.279 6.466 1.00 0.32 H new ATOM 0 HA ILE A 51 -1.014 -0.169 5.269 1.00 0.32 H new ATOM 0 HB ILE A 51 -0.569 -1.777 3.437 1.00 0.34 H new ATOM 0 HG12 ILE A 51 1.914 -2.479 5.041 1.00 0.34 H new ATOM 0 HG13 ILE A 51 0.518 -3.517 4.826 1.00 0.34 H new ATOM 0 HG21 ILE A 51 1.474 -0.717 2.562 1.00 0.36 H new ATOM 0 HG22 ILE A 51 0.385 0.474 3.310 1.00 0.36 H new ATOM 0 HG23 ILE A 51 1.834 -0.078 4.183 1.00 0.36 H new ATOM 0 HD11 ILE A 51 2.327 -4.157 3.311 1.00 0.36 H new ATOM 0 HD12 ILE A 51 0.920 -3.575 2.391 1.00 0.36 H new ATOM 0 HD13 ILE A 51 2.337 -2.522 2.610 1.00 0.36 H new ATOM 738 N GLU A 52 -2.557 -2.096 5.766 1.00 0.36 N ATOM 739 CA GLU A 52 -3.482 -3.111 6.246 1.00 0.39 C ATOM 740 C GLU A 52 -4.003 -3.964 5.095 1.00 0.42 C ATOM 741 O GLU A 52 -4.788 -3.498 4.269 1.00 0.43 O ATOM 742 CB GLU A 52 -4.650 -2.458 6.987 1.00 0.45 C ATOM 743 CG GLU A 52 -4.219 -1.614 8.175 1.00 1.01 C ATOM 744 CD GLU A 52 -5.393 -1.000 8.911 1.00 1.46 C ATOM 745 OE1 GLU A 52 -5.881 0.063 8.470 1.00 2.13 O ATOM 746 OE2 GLU A 52 -5.826 -1.580 9.930 1.00 1.91 O ATOM 0 H GLU A 52 -2.995 -1.341 5.238 1.00 0.36 H new ATOM 0 HA GLU A 52 -2.943 -3.760 6.936 1.00 0.39 H new ATOM 0 HB2 GLU A 52 -5.208 -1.832 6.290 1.00 0.45 H new ATOM 0 HB3 GLU A 52 -5.331 -3.236 7.332 1.00 0.45 H new ATOM 0 HG2 GLU A 52 -3.645 -2.232 8.866 1.00 1.01 H new ATOM 0 HG3 GLU A 52 -3.556 -0.821 7.831 1.00 1.01 H new ATOM 751 N THR A 53 -3.553 -5.214 5.046 1.00 0.52 N ATOM 752 CA THR A 53 -3.973 -6.139 4.002 1.00 0.58 C ATOM 753 C THR A 53 -4.850 -7.245 4.582 1.00 0.61 C ATOM 754 O THR A 53 -5.186 -7.222 5.766 1.00 0.60 O ATOM 755 CB THR A 53 -2.761 -6.769 3.290 1.00 0.59 C ATOM 756 OG1 THR A 53 -1.920 -7.426 4.245 1.00 0.55 O ATOM 757 CG2 THR A 53 -1.958 -5.711 2.548 1.00 0.64 C ATOM 0 H THR A 53 -2.896 -5.609 5.719 1.00 0.52 H new ATOM 0 HA THR A 53 -4.547 -5.567 3.274 1.00 0.58 H new ATOM 0 HB THR A 53 -3.131 -7.496 2.567 1.00 0.59 H new ATOM 0 HG1 THR A 53 -1.595 -6.772 4.899 1.00 0.55 H new ATOM 0 HG21 THR A 53 -1.108 -6.180 2.053 1.00 0.64 H new ATOM 0 HG22 THR A 53 -2.591 -5.230 1.803 1.00 0.64 H new ATOM 0 HG23 THR A 53 -1.599 -4.964 3.256 1.00 0.64 H new ATOM 765 N ARG A 54 -5.220 -8.210 3.745 1.00 0.68 N ATOM 766 CA ARG A 54 -6.062 -9.323 4.178 1.00 0.73 C ATOM 767 C ARG A 54 -5.555 -9.933 5.481 1.00 0.67 C ATOM 768 O ARG A 54 -4.722 -10.838 5.471 1.00 0.69 O ATOM 769 CB ARG A 54 -6.124 -10.398 3.093 1.00 0.84 C ATOM 770 CG ARG A 54 -6.892 -9.970 1.854 1.00 1.47 C ATOM 771 CD ARG A 54 -8.337 -9.634 2.186 1.00 1.53 C ATOM 772 NE ARG A 54 -9.113 -9.319 0.992 1.00 2.10 N ATOM 773 CZ ARG A 54 -10.441 -9.292 0.964 1.00 2.32 C ATOM 774 NH1 ARG A 54 -11.133 -9.552 2.065 1.00 1.97 N ATOM 775 NH2 ARG A 54 -11.077 -9.007 -0.163 1.00 3.04 N ATOM 0 H ARG A 54 -4.950 -8.244 2.762 1.00 0.68 H new ATOM 0 HA ARG A 54 -7.063 -8.929 4.353 1.00 0.73 H new ATOM 0 HB2 ARG A 54 -5.109 -10.670 2.805 1.00 0.84 H new ATOM 0 HB3 ARG A 54 -6.588 -11.293 3.507 1.00 0.84 H new ATOM 0 HG2 ARG A 54 -6.409 -9.102 1.406 1.00 1.47 H new ATOM 0 HG3 ARG A 54 -6.864 -10.768 1.112 1.00 1.47 H new ATOM 0 HD2 ARG A 54 -8.795 -10.476 2.704 1.00 1.53 H new ATOM 0 HD3 ARG A 54 -8.364 -8.786 2.870 1.00 1.53 H new ATOM 0 HE ARG A 54 -8.608 -9.108 0.131 1.00 2.10 H new ATOM 0 HH11 ARG A 54 -10.646 -9.773 2.933 1.00 1.97 H new ATOM 0 HH12 ARG A 54 -12.153 -9.531 2.043 1.00 1.97 H new ATOM 0 HH21 ARG A 54 -10.547 -8.808 -1.011 1.00 3.04 H new ATOM 0 HH22 ARG A 54 -12.097 -8.987 -0.182 1.00 3.04 H new ATOM 786 N ARG A 55 -6.070 -9.433 6.598 1.00 0.66 N ATOM 787 CA ARG A 55 -5.683 -9.926 7.913 1.00 0.66 C ATOM 788 C ARG A 55 -4.166 -9.907 8.091 1.00 0.62 C ATOM 789 O ARG A 55 -3.597 -10.790 8.732 1.00 0.70 O ATOM 790 CB ARG A 55 -6.210 -11.347 8.122 1.00 0.73 C ATOM 791 CG ARG A 55 -7.705 -11.482 7.887 1.00 1.06 C ATOM 792 CD ARG A 55 -8.500 -10.585 8.822 1.00 1.67 C ATOM 793 NE ARG A 55 -9.934 -10.658 8.557 1.00 2.43 N ATOM 794 CZ ARG A 55 -10.852 -10.035 9.290 1.00 3.17 C ATOM 795 NH1 ARG A 55 -10.485 -9.298 10.330 1.00 3.34 N ATOM 796 NH2 ARG A 55 -12.136 -10.149 8.982 1.00 4.11 N ATOM 0 H ARG A 55 -6.760 -8.682 6.618 1.00 0.66 H new ATOM 0 HA ARG A 55 -6.122 -9.263 8.658 1.00 0.66 H new ATOM 0 HB2 ARG A 55 -5.682 -12.024 7.450 1.00 0.73 H new ATOM 0 HB3 ARG A 55 -5.980 -11.665 9.139 1.00 0.73 H new ATOM 0 HG2 ARG A 55 -7.936 -11.227 6.853 1.00 1.06 H new ATOM 0 HG3 ARG A 55 -8.005 -12.519 8.034 1.00 1.06 H new ATOM 0 HD2 ARG A 55 -8.306 -10.875 9.855 1.00 1.67 H new ATOM 0 HD3 ARG A 55 -8.162 -9.555 8.711 1.00 1.67 H new ATOM 0 HE ARG A 55 -10.249 -11.218 7.765 1.00 2.43 H new ATOM 0 HH11 ARG A 55 -9.497 -9.208 10.568 1.00 3.34 H new ATOM 0 HH12 ARG A 55 -11.190 -8.821 10.891 1.00 3.34 H new ATOM 0 HH21 ARG A 55 -12.420 -10.715 8.182 1.00 4.11 H new ATOM 0 HH22 ARG A 55 -12.840 -9.671 9.545 1.00 4.11 H new ATOM 807 N VAL A 56 -3.517 -8.895 7.527 1.00 0.58 N ATOM 808 CA VAL A 56 -2.069 -8.768 7.633 1.00 0.57 C ATOM 809 C VAL A 56 -1.642 -7.305 7.579 1.00 0.49 C ATOM 810 O VAL A 56 -1.781 -6.644 6.549 1.00 0.50 O ATOM 811 CB VAL A 56 -1.346 -9.545 6.512 1.00 0.66 C ATOM 812 CG1 VAL A 56 0.163 -9.377 6.627 1.00 1.02 C ATOM 813 CG2 VAL A 56 -1.727 -11.017 6.548 1.00 1.23 C ATOM 0 H VAL A 56 -3.969 -8.153 6.993 1.00 0.58 H new ATOM 0 HA VAL A 56 -1.786 -9.194 8.596 1.00 0.57 H new ATOM 0 HB VAL A 56 -1.662 -9.134 5.553 1.00 0.66 H new ATOM 0 HG11 VAL A 56 0.653 -9.933 5.827 1.00 1.02 H new ATOM 0 HG12 VAL A 56 0.419 -8.321 6.544 1.00 1.02 H new ATOM 0 HG13 VAL A 56 0.499 -9.757 7.592 1.00 1.02 H new ATOM 0 HG21 VAL A 56 -1.207 -11.547 5.750 1.00 1.23 H new ATOM 0 HG22 VAL A 56 -1.444 -11.443 7.511 1.00 1.23 H new ATOM 0 HG23 VAL A 56 -2.803 -11.118 6.409 1.00 1.23 H new ATOM 823 N SER A 57 -1.125 -6.803 8.696 1.00 0.48 N ATOM 824 CA SER A 57 -0.673 -5.420 8.774 1.00 0.43 C ATOM 825 C SER A 57 0.850 -5.350 8.749 1.00 0.42 C ATOM 826 O SER A 57 1.513 -5.704 9.725 1.00 0.46 O ATOM 827 CB SER A 57 -1.206 -4.755 10.044 1.00 0.51 C ATOM 828 OG SER A 57 -0.759 -3.414 10.145 1.00 0.64 O ATOM 0 H SER A 57 -1.009 -7.334 9.559 1.00 0.48 H new ATOM 0 HA SER A 57 -1.061 -4.886 7.907 1.00 0.43 H new ATOM 0 HB2 SER A 57 -2.296 -4.779 10.041 1.00 0.51 H new ATOM 0 HB3 SER A 57 -0.878 -5.318 10.918 1.00 0.51 H new ATOM 0 HG SER A 57 -1.115 -3.011 10.965 1.00 0.64 H new ATOM 833 N LEU A 58 1.396 -4.894 7.630 1.00 0.38 N ATOM 834 CA LEU A 58 2.842 -4.779 7.476 1.00 0.40 C ATOM 835 C LEU A 58 3.291 -3.326 7.607 1.00 0.37 C ATOM 836 O LEU A 58 2.504 -2.402 7.404 1.00 0.38 O ATOM 837 CB LEU A 58 3.278 -5.339 6.122 1.00 0.43 C ATOM 838 CG LEU A 58 3.040 -6.839 5.934 1.00 0.96 C ATOM 839 CD1 LEU A 58 3.434 -7.270 4.530 1.00 1.50 C ATOM 840 CD2 LEU A 58 3.812 -7.633 6.975 1.00 1.54 C ATOM 0 H LEU A 58 0.860 -4.597 6.814 1.00 0.38 H new ATOM 0 HA LEU A 58 3.313 -5.358 8.270 1.00 0.40 H new ATOM 0 HB2 LEU A 58 2.748 -4.801 5.336 1.00 0.43 H new ATOM 0 HB3 LEU A 58 4.340 -5.135 5.987 1.00 0.43 H new ATOM 0 HG LEU A 58 1.977 -7.040 6.067 1.00 0.96 H new ATOM 0 HD11 LEU A 58 3.258 -8.339 4.415 1.00 1.50 H new ATOM 0 HD12 LEU A 58 2.837 -6.723 3.800 1.00 1.50 H new ATOM 0 HD13 LEU A 58 4.490 -7.057 4.367 1.00 1.50 H new ATOM 0 HD21 LEU A 58 3.632 -8.698 6.828 1.00 1.54 H new ATOM 0 HD22 LEU A 58 4.878 -7.428 6.873 1.00 1.54 H new ATOM 0 HD23 LEU A 58 3.481 -7.344 7.972 1.00 1.54 H new ATOM 851 N VAL A 59 4.560 -3.134 7.950 1.00 0.41 N ATOM 852 CA VAL A 59 5.114 -1.794 8.106 1.00 0.40 C ATOM 853 C VAL A 59 5.959 -1.407 6.898 1.00 0.40 C ATOM 854 O VAL A 59 6.655 -2.243 6.321 1.00 0.47 O ATOM 855 CB VAL A 59 5.977 -1.681 9.377 1.00 0.45 C ATOM 856 CG1 VAL A 59 7.204 -2.573 9.273 1.00 0.50 C ATOM 857 CG2 VAL A 59 6.378 -0.235 9.621 1.00 0.45 C ATOM 0 H VAL A 59 5.224 -3.888 8.125 1.00 0.41 H new ATOM 0 HA VAL A 59 4.268 -1.113 8.192 1.00 0.40 H new ATOM 0 HB VAL A 59 5.385 -2.019 10.227 1.00 0.45 H new ATOM 0 HG11 VAL A 59 7.800 -2.479 10.181 1.00 0.50 H new ATOM 0 HG12 VAL A 59 6.891 -3.610 9.151 1.00 0.50 H new ATOM 0 HG13 VAL A 59 7.802 -2.271 8.413 1.00 0.50 H new ATOM 0 HG21 VAL A 59 6.987 -0.174 10.523 1.00 0.45 H new ATOM 0 HG22 VAL A 59 6.952 0.132 8.770 1.00 0.45 H new ATOM 0 HG23 VAL A 59 5.483 0.375 9.745 1.00 0.45 H new ATOM 867 N LEU A 60 5.893 -0.135 6.520 1.00 0.39 N ATOM 868 CA LEU A 60 6.653 0.364 5.383 1.00 0.40 C ATOM 869 C LEU A 60 7.240 1.740 5.686 1.00 0.38 C ATOM 870 O LEU A 60 6.506 2.700 5.918 1.00 0.48 O ATOM 871 CB LEU A 60 5.763 0.440 4.139 1.00 0.45 C ATOM 872 CG LEU A 60 5.226 -0.905 3.644 1.00 0.61 C ATOM 873 CD1 LEU A 60 4.317 -0.706 2.442 1.00 0.77 C ATOM 874 CD2 LEU A 60 6.374 -1.840 3.296 1.00 0.97 C ATOM 0 H LEU A 60 5.320 0.569 6.986 1.00 0.39 H new ATOM 0 HA LEU A 60 7.472 -0.329 5.192 1.00 0.40 H new ATOM 0 HB2 LEU A 60 4.918 1.094 4.355 1.00 0.45 H new ATOM 0 HB3 LEU A 60 6.330 0.906 3.333 1.00 0.45 H new ATOM 0 HG LEU A 60 4.642 -1.359 4.445 1.00 0.61 H new ATOM 0 HD11 LEU A 60 3.944 -1.673 2.104 1.00 0.77 H new ATOM 0 HD12 LEU A 60 3.476 -0.071 2.723 1.00 0.77 H new ATOM 0 HD13 LEU A 60 4.877 -0.231 1.637 1.00 0.77 H new ATOM 0 HD21 LEU A 60 5.975 -2.792 2.946 1.00 0.97 H new ATOM 0 HD22 LEU A 60 6.984 -1.392 2.511 1.00 0.97 H new ATOM 0 HD23 LEU A 60 6.988 -2.008 4.181 1.00 0.97 H new ATOM 885 N ARG A 61 8.565 1.827 5.683 1.00 0.51 N ATOM 886 CA ARG A 61 9.246 3.085 5.963 1.00 0.58 C ATOM 887 C ARG A 61 9.529 3.846 4.673 1.00 0.54 C ATOM 888 O ARG A 61 9.374 3.311 3.576 1.00 0.59 O ATOM 889 CB ARG A 61 10.554 2.825 6.712 1.00 0.69 C ATOM 890 CG ARG A 61 10.374 2.012 7.984 1.00 1.34 C ATOM 891 CD ARG A 61 11.707 1.702 8.645 1.00 1.51 C ATOM 892 NE ARG A 61 12.398 2.910 9.081 1.00 2.06 N ATOM 893 CZ ARG A 61 13.638 2.914 9.559 1.00 2.47 C ATOM 894 NH1 ARG A 61 14.315 1.777 9.659 1.00 2.45 N ATOM 895 NH2 ARG A 61 14.201 4.052 9.939 1.00 3.32 N ATOM 0 H ARG A 61 9.188 1.043 5.490 1.00 0.51 H new ATOM 0 HA ARG A 61 8.592 3.693 6.588 1.00 0.58 H new ATOM 0 HB2 ARG A 61 11.244 2.302 6.050 1.00 0.69 H new ATOM 0 HB3 ARG A 61 11.016 3.780 6.963 1.00 0.69 H new ATOM 0 HG2 ARG A 61 9.741 2.561 8.681 1.00 1.34 H new ATOM 0 HG3 ARG A 61 9.858 1.081 7.751 1.00 1.34 H new ATOM 0 HD2 ARG A 61 11.543 1.050 9.503 1.00 1.51 H new ATOM 0 HD3 ARG A 61 12.340 1.156 7.945 1.00 1.51 H new ATOM 0 HE ARG A 61 11.903 3.799 9.016 1.00 2.06 H new ATOM 0 HH11 ARG A 61 13.884 0.899 9.369 1.00 2.45 H new ATOM 0 HH12 ARG A 61 15.267 1.781 10.026 1.00 2.45 H new ATOM 0 HH21 ARG A 61 13.682 4.927 9.865 1.00 3.32 H new ATOM 0 HH22 ARG A 61 15.153 4.053 10.306 1.00 3.32 H new ATOM 906 N LYS A 62 9.954 5.096 4.817 1.00 0.69 N ATOM 907 CA LYS A 62 10.265 5.944 3.671 1.00 0.74 C ATOM 908 C LYS A 62 11.130 5.205 2.651 1.00 0.68 C ATOM 909 O LYS A 62 11.091 5.507 1.458 1.00 0.76 O ATOM 910 CB LYS A 62 10.986 7.211 4.137 1.00 0.92 C ATOM 911 CG LYS A 62 12.403 6.963 4.637 1.00 1.88 C ATOM 912 CD LYS A 62 12.417 6.117 5.902 1.00 2.95 C ATOM 913 CE LYS A 62 13.823 5.968 6.459 1.00 3.60 C ATOM 914 NZ LYS A 62 14.435 7.284 6.786 1.00 4.70 N ATOM 0 H LYS A 62 10.092 5.547 5.721 1.00 0.69 H new ATOM 0 HA LYS A 62 9.325 6.214 3.189 1.00 0.74 H new ATOM 0 HB2 LYS A 62 11.021 7.922 3.312 1.00 0.92 H new ATOM 0 HB3 LYS A 62 10.406 7.676 4.934 1.00 0.92 H new ATOM 0 HG2 LYS A 62 12.980 6.463 3.859 1.00 1.88 H new ATOM 0 HG3 LYS A 62 12.891 7.918 4.833 1.00 1.88 H new ATOM 0 HD2 LYS A 62 11.774 6.575 6.654 1.00 2.95 H new ATOM 0 HD3 LYS A 62 12.004 5.132 5.686 1.00 2.95 H new ATOM 0 HE2 LYS A 62 13.794 5.349 7.356 1.00 3.60 H new ATOM 0 HE3 LYS A 62 14.448 5.448 5.733 1.00 3.60 H new ATOM 0 HZ1 LYS A 62 15.240 7.142 7.429 1.00 4.70 H new ATOM 0 HZ2 LYS A 62 14.766 7.740 5.912 1.00 4.70 H new ATOM 0 HZ3 LYS A 62 13.727 7.891 7.247 1.00 4.70 H new ATOM 924 N LYS A 63 11.904 4.236 3.126 1.00 0.64 N ATOM 925 CA LYS A 63 12.783 3.464 2.255 1.00 0.71 C ATOM 926 C LYS A 63 12.032 2.312 1.596 1.00 0.63 C ATOM 927 O LYS A 63 12.205 2.047 0.406 1.00 0.73 O ATOM 928 CB LYS A 63 13.973 2.921 3.050 1.00 0.88 C ATOM 929 CG LYS A 63 13.571 2.053 4.230 1.00 0.88 C ATOM 930 CD LYS A 63 14.786 1.464 4.927 1.00 1.10 C ATOM 931 CE LYS A 63 15.735 2.547 5.412 1.00 1.67 C ATOM 932 NZ LYS A 63 16.924 1.976 6.103 1.00 2.28 N ATOM 0 H LYS A 63 11.941 3.966 4.109 1.00 0.64 H new ATOM 0 HA LYS A 63 13.147 4.129 1.472 1.00 0.71 H new ATOM 0 HB2 LYS A 63 14.610 2.340 2.383 1.00 0.88 H new ATOM 0 HB3 LYS A 63 14.570 3.758 3.412 1.00 0.88 H new ATOM 0 HG2 LYS A 63 12.995 2.646 4.940 1.00 0.88 H new ATOM 0 HG3 LYS A 63 12.921 1.248 3.886 1.00 0.88 H new ATOM 0 HD2 LYS A 63 14.462 0.858 5.773 1.00 1.10 H new ATOM 0 HD3 LYS A 63 15.312 0.799 4.242 1.00 1.10 H new ATOM 0 HE2 LYS A 63 16.062 3.149 4.564 1.00 1.67 H new ATOM 0 HE3 LYS A 63 15.206 3.215 6.092 1.00 1.67 H new ATOM 0 HZ1 LYS A 63 17.546 2.748 6.418 1.00 2.28 H new ATOM 0 HZ2 LYS A 63 16.614 1.422 6.927 1.00 2.28 H new ATOM 0 HZ3 LYS A 63 17.444 1.359 5.447 1.00 2.28 H new ATOM 942 N ASP A 64 11.197 1.630 2.374 1.00 0.54 N ATOM 943 CA ASP A 64 10.428 0.503 1.861 1.00 0.54 C ATOM 944 C ASP A 64 9.594 0.916 0.653 1.00 0.46 C ATOM 945 O ASP A 64 9.395 0.129 -0.272 1.00 0.56 O ATOM 946 CB ASP A 64 9.520 -0.067 2.953 1.00 0.56 C ATOM 947 CG ASP A 64 10.305 -0.619 4.126 1.00 1.38 C ATOM 948 OD1 ASP A 64 10.732 -1.792 4.056 1.00 1.49 O ATOM 949 OD2 ASP A 64 10.494 0.119 5.115 1.00 2.30 O ATOM 0 H ASP A 64 11.036 1.838 3.360 1.00 0.54 H new ATOM 0 HA ASP A 64 11.132 -0.268 1.547 1.00 0.54 H new ATOM 0 HB2 ASP A 64 8.846 0.714 3.305 1.00 0.56 H new ATOM 0 HB3 ASP A 64 8.900 -0.857 2.530 1.00 0.56 H new ATOM 953 N LEU A 65 9.111 2.154 0.664 1.00 0.39 N ATOM 954 CA LEU A 65 8.298 2.666 -0.435 1.00 0.41 C ATOM 955 C LEU A 65 9.173 3.129 -1.598 1.00 0.45 C ATOM 956 O LEU A 65 8.708 3.226 -2.735 1.00 0.52 O ATOM 957 CB LEU A 65 7.416 3.822 0.041 1.00 0.51 C ATOM 958 CG LEU A 65 6.297 3.433 1.011 1.00 0.49 C ATOM 959 CD1 LEU A 65 6.868 3.069 2.372 1.00 0.67 C ATOM 960 CD2 LEU A 65 5.286 4.564 1.139 1.00 0.70 C ATOM 0 H LEU A 65 9.268 2.821 1.420 1.00 0.39 H new ATOM 0 HA LEU A 65 7.662 1.852 -0.783 1.00 0.41 H new ATOM 0 HB2 LEU A 65 8.050 4.567 0.523 1.00 0.51 H new ATOM 0 HB3 LEU A 65 6.969 4.300 -0.831 1.00 0.51 H new ATOM 0 HG LEU A 65 5.786 2.557 0.611 1.00 0.49 H new ATOM 0 HD11 LEU A 65 6.056 2.796 3.046 1.00 0.67 H new ATOM 0 HD12 LEU A 65 7.551 2.226 2.266 1.00 0.67 H new ATOM 0 HD13 LEU A 65 7.407 3.924 2.781 1.00 0.67 H new ATOM 0 HD21 LEU A 65 4.498 4.271 1.832 1.00 0.70 H new ATOM 0 HD22 LEU A 65 5.785 5.457 1.514 1.00 0.70 H new ATOM 0 HD23 LEU A 65 4.850 4.775 0.162 1.00 0.70 H new ATOM 971 N ALA A 66 10.439 3.415 -1.310 1.00 0.46 N ATOM 972 CA ALA A 66 11.373 3.866 -2.335 1.00 0.52 C ATOM 973 C ALA A 66 11.512 2.835 -3.448 1.00 0.50 C ATOM 974 O ALA A 66 11.846 3.173 -4.584 1.00 0.66 O ATOM 975 CB ALA A 66 12.732 4.162 -1.718 1.00 0.60 C ATOM 0 H ALA A 66 10.841 3.342 -0.375 1.00 0.46 H new ATOM 0 HA ALA A 66 10.975 4.782 -2.772 1.00 0.52 H new ATOM 0 HB1 ALA A 66 13.419 4.498 -2.495 1.00 0.60 H new ATOM 0 HB2 ALA A 66 12.627 4.942 -0.964 1.00 0.60 H new ATOM 0 HB3 ALA A 66 13.125 3.258 -1.252 1.00 0.60 H new ATOM 981 N LEU A 67 11.253 1.574 -3.116 1.00 0.37 N ATOM 982 CA LEU A 67 11.353 0.491 -4.089 1.00 0.35 C ATOM 983 C LEU A 67 9.985 0.124 -4.655 1.00 0.31 C ATOM 984 O LEU A 67 9.728 0.311 -5.844 1.00 0.30 O ATOM 985 CB LEU A 67 12.002 -0.735 -3.446 1.00 0.38 C ATOM 986 CG LEU A 67 13.456 -0.540 -3.014 1.00 0.43 C ATOM 987 CD1 LEU A 67 13.977 -1.781 -2.306 1.00 0.48 C ATOM 988 CD2 LEU A 67 14.324 -0.208 -4.219 1.00 0.47 C ATOM 0 H LEU A 67 10.973 1.277 -2.181 1.00 0.37 H new ATOM 0 HA LEU A 67 11.976 0.837 -4.914 1.00 0.35 H new ATOM 0 HB2 LEU A 67 11.415 -1.024 -2.574 1.00 0.38 H new ATOM 0 HB3 LEU A 67 11.956 -1.565 -4.151 1.00 0.38 H new ATOM 0 HG LEU A 67 13.499 0.294 -2.314 1.00 0.43 H new ATOM 0 HD11 LEU A 67 15.013 -1.621 -2.007 1.00 0.48 H new ATOM 0 HD12 LEU A 67 13.370 -1.977 -1.422 1.00 0.48 H new ATOM 0 HD13 LEU A 67 13.922 -2.635 -2.981 1.00 0.48 H new ATOM 0 HD21 LEU A 67 15.356 -0.072 -3.897 1.00 0.47 H new ATOM 0 HD22 LEU A 67 14.273 -1.024 -4.940 1.00 0.47 H new ATOM 0 HD23 LEU A 67 13.965 0.710 -4.684 1.00 0.47 H new ATOM 999 N ILE A 68 9.108 -0.390 -3.799 1.00 0.31 N ATOM 1000 CA ILE A 68 7.770 -0.784 -4.226 1.00 0.30 C ATOM 1001 C ILE A 68 6.964 0.426 -4.678 1.00 0.30 C ATOM 1002 O ILE A 68 7.043 1.496 -4.075 1.00 0.37 O ATOM 1003 CB ILE A 68 7.007 -1.502 -3.098 1.00 0.34 C ATOM 1004 CG1 ILE A 68 6.757 -0.543 -1.932 1.00 0.38 C ATOM 1005 CG2 ILE A 68 7.782 -2.725 -2.630 1.00 0.38 C ATOM 1006 CD1 ILE A 68 6.116 -1.204 -0.731 1.00 0.43 C ATOM 0 H ILE A 68 9.299 -0.543 -2.809 1.00 0.31 H new ATOM 0 HA ILE A 68 7.894 -1.471 -5.063 1.00 0.30 H new ATOM 0 HB ILE A 68 6.043 -1.833 -3.484 1.00 0.34 H new ATOM 0 HG12 ILE A 68 7.705 -0.098 -1.629 1.00 0.38 H new ATOM 0 HG13 ILE A 68 6.117 0.271 -2.273 1.00 0.38 H new ATOM 0 HG21 ILE A 68 7.230 -3.222 -1.832 1.00 0.38 H new ATOM 0 HG22 ILE A 68 7.913 -3.414 -3.464 1.00 0.38 H new ATOM 0 HG23 ILE A 68 8.759 -2.416 -2.257 1.00 0.38 H new ATOM 0 HD11 ILE A 68 5.969 -0.464 0.056 1.00 0.43 H new ATOM 0 HD12 ILE A 68 5.152 -1.625 -1.018 1.00 0.43 H new ATOM 0 HD13 ILE A 68 6.764 -2.000 -0.364 1.00 0.43 H new ATOM 1017 N GLU A 69 6.186 0.251 -5.740 1.00 0.29 N ATOM 1018 CA GLU A 69 5.371 1.335 -6.274 1.00 0.32 C ATOM 1019 C GLU A 69 3.971 1.304 -5.671 1.00 0.31 C ATOM 1020 O GLU A 69 3.498 0.255 -5.235 1.00 0.37 O ATOM 1021 CB GLU A 69 5.288 1.232 -7.798 1.00 0.34 C ATOM 1022 CG GLU A 69 4.901 2.536 -8.476 1.00 0.44 C ATOM 1023 CD GLU A 69 4.920 2.432 -9.988 1.00 1.30 C ATOM 1024 OE1 GLU A 69 3.881 2.054 -10.571 1.00 2.29 O ATOM 1025 OE2 GLU A 69 5.972 2.728 -10.591 1.00 1.26 O ATOM 0 H GLU A 69 6.103 -0.630 -6.247 1.00 0.29 H new ATOM 0 HA GLU A 69 5.841 2.281 -6.007 1.00 0.32 H new ATOM 0 HB2 GLU A 69 6.253 0.904 -8.185 1.00 0.34 H new ATOM 0 HB3 GLU A 69 4.561 0.465 -8.063 1.00 0.34 H new ATOM 0 HG2 GLU A 69 3.904 2.831 -8.148 1.00 0.44 H new ATOM 0 HG3 GLU A 69 5.586 3.323 -8.161 1.00 0.44 H new ATOM 1030 N LEU A 70 3.315 2.458 -5.648 1.00 0.32 N ATOM 1031 CA LEU A 70 1.966 2.550 -5.101 1.00 0.33 C ATOM 1032 C LEU A 70 0.970 2.952 -6.183 1.00 0.33 C ATOM 1033 O LEU A 70 1.346 3.529 -7.202 1.00 0.45 O ATOM 1034 CB LEU A 70 1.922 3.558 -3.951 1.00 0.38 C ATOM 1035 CG LEU A 70 0.619 3.562 -3.153 1.00 0.95 C ATOM 1036 CD1 LEU A 70 0.370 2.196 -2.534 1.00 1.25 C ATOM 1037 CD2 LEU A 70 0.656 4.638 -2.077 1.00 1.85 C ATOM 0 H LEU A 70 3.692 3.338 -5.999 1.00 0.32 H new ATOM 0 HA LEU A 70 1.688 1.567 -4.720 1.00 0.33 H new ATOM 0 HB2 LEU A 70 2.748 3.349 -3.271 1.00 0.38 H new ATOM 0 HB3 LEU A 70 2.087 4.557 -4.355 1.00 0.38 H new ATOM 0 HG LEU A 70 -0.202 3.786 -3.834 1.00 0.95 H new ATOM 0 HD11 LEU A 70 -0.562 2.217 -1.969 1.00 1.25 H new ATOM 0 HD12 LEU A 70 0.300 1.447 -3.322 1.00 1.25 H new ATOM 0 HD13 LEU A 70 1.193 1.944 -1.866 1.00 1.25 H new ATOM 0 HD21 LEU A 70 -0.280 4.626 -1.519 1.00 1.85 H new ATOM 0 HD22 LEU A 70 1.486 4.445 -1.398 1.00 1.85 H new ATOM 0 HD23 LEU A 70 0.788 5.614 -2.543 1.00 1.85 H new ATOM 1048 N GLU A 71 -0.302 2.641 -5.954 1.00 0.35 N ATOM 1049 CA GLU A 71 -1.350 2.969 -6.915 1.00 0.38 C ATOM 1050 C GLU A 71 -2.658 3.304 -6.207 1.00 0.37 C ATOM 1051 O GLU A 71 -2.904 2.853 -5.088 1.00 0.52 O ATOM 1052 CB GLU A 71 -1.564 1.803 -7.880 1.00 0.47 C ATOM 1053 CG GLU A 71 -2.596 2.088 -8.961 1.00 0.54 C ATOM 1054 CD GLU A 71 -2.799 0.912 -9.897 1.00 1.31 C ATOM 1055 OE1 GLU A 71 -2.001 0.765 -10.846 1.00 1.26 O ATOM 1056 OE2 GLU A 71 -3.756 0.139 -9.680 1.00 2.24 O ATOM 0 H GLU A 71 -0.631 2.164 -5.115 1.00 0.35 H new ATOM 0 HA GLU A 71 -1.030 3.847 -7.477 1.00 0.38 H new ATOM 0 HB2 GLU A 71 -0.614 1.555 -8.353 1.00 0.47 H new ATOM 0 HB3 GLU A 71 -1.877 0.926 -7.313 1.00 0.47 H new ATOM 0 HG2 GLU A 71 -3.547 2.343 -8.493 1.00 0.54 H new ATOM 0 HG3 GLU A 71 -2.282 2.957 -9.538 1.00 0.54 H new ATOM 1061 N ALA A 72 -3.495 4.097 -6.867 1.00 0.45 N ATOM 1062 CA ALA A 72 -4.779 4.495 -6.305 1.00 0.52 C ATOM 1063 C ALA A 72 -5.836 3.420 -6.534 1.00 0.44 C ATOM 1064 O ALA A 72 -5.620 2.474 -7.292 1.00 0.53 O ATOM 1065 CB ALA A 72 -5.231 5.818 -6.905 1.00 0.76 C ATOM 0 H ALA A 72 -3.306 4.477 -7.794 1.00 0.45 H new ATOM 0 HA ALA A 72 -4.653 4.620 -5.230 1.00 0.52 H new ATOM 0 HB1 ALA A 72 -6.192 6.103 -6.476 1.00 0.76 H new ATOM 0 HB2 ALA A 72 -4.492 6.589 -6.685 1.00 0.76 H new ATOM 0 HB3 ALA A 72 -5.333 5.712 -7.985 1.00 0.76 H new ATOM 1071 N VAL A 73 -6.980 3.574 -5.874 1.00 0.58 N ATOM 1072 CA VAL A 73 -8.073 2.618 -6.005 1.00 0.64 C ATOM 1073 C VAL A 73 -9.125 3.122 -6.987 1.00 0.83 C ATOM 1074 O VAL A 73 -8.976 4.194 -7.573 1.00 0.99 O ATOM 1075 CB VAL A 73 -8.743 2.344 -4.644 1.00 0.78 C ATOM 1076 CG1 VAL A 73 -7.725 1.818 -3.644 1.00 1.01 C ATOM 1077 CG2 VAL A 73 -9.416 3.604 -4.117 1.00 1.16 C ATOM 0 H VAL A 73 -7.174 4.352 -5.243 1.00 0.58 H new ATOM 0 HA VAL A 73 -7.643 1.690 -6.382 1.00 0.64 H new ATOM 0 HB VAL A 73 -9.509 1.581 -4.784 1.00 0.78 H new ATOM 0 HG11 VAL A 73 -8.216 1.630 -2.689 1.00 1.01 H new ATOM 0 HG12 VAL A 73 -7.293 0.890 -4.018 1.00 1.01 H new ATOM 0 HG13 VAL A 73 -6.935 2.556 -3.507 1.00 1.01 H new ATOM 0 HG21 VAL A 73 -9.884 3.392 -3.156 1.00 1.16 H new ATOM 0 HG22 VAL A 73 -8.671 4.390 -3.992 1.00 1.16 H new ATOM 0 HG23 VAL A 73 -10.176 3.934 -4.825 1.00 1.16 H new ATOM 1087 N ALA A 74 -10.188 2.344 -7.163 1.00 0.99 N ATOM 1088 CA ALA A 74 -11.260 2.717 -8.077 1.00 1.25 C ATOM 1089 C ALA A 74 -12.628 2.511 -7.435 1.00 1.66 C ATOM 1090 O ALA A 74 -13.412 3.451 -7.307 1.00 2.28 O ATOM 1091 CB ALA A 74 -11.152 1.920 -9.368 1.00 1.57 C ATOM 0 H ALA A 74 -10.329 1.454 -6.686 1.00 0.99 H new ATOM 0 HA ALA A 74 -11.155 3.777 -8.308 1.00 1.25 H new ATOM 0 HB1 ALA A 74 -11.959 2.208 -10.042 1.00 1.57 H new ATOM 0 HB2 ALA A 74 -10.192 2.124 -9.842 1.00 1.57 H new ATOM 0 HB3 ALA A 74 -11.228 0.856 -9.146 1.00 1.57 H new ATOM 1097 N GLN A 75 -12.911 1.275 -7.031 1.00 1.95 N ATOM 1098 CA GLN A 75 -14.186 0.953 -6.399 1.00 2.53 C ATOM 1099 C GLN A 75 -14.023 -0.179 -5.389 1.00 2.88 C ATOM 1100 O GLN A 75 -13.283 -1.134 -5.624 1.00 3.14 O ATOM 1101 CB GLN A 75 -15.226 0.563 -7.454 1.00 3.27 C ATOM 1102 CG GLN A 75 -14.843 -0.663 -8.266 1.00 3.83 C ATOM 1103 CD GLN A 75 -13.682 -0.399 -9.202 1.00 4.50 C ATOM 1104 OE1 GLN A 75 -13.508 0.715 -9.693 1.00 4.86 O ATOM 1105 NE2 GLN A 75 -12.880 -1.427 -9.457 1.00 5.13 N ATOM 0 H GLN A 75 -12.276 0.483 -7.130 1.00 1.95 H new ATOM 0 HA GLN A 75 -14.532 1.842 -5.872 1.00 2.53 H new ATOM 0 HB2 GLN A 75 -16.180 0.377 -6.960 1.00 3.27 H new ATOM 0 HB3 GLN A 75 -15.376 1.404 -8.131 1.00 3.27 H new ATOM 0 HG2 GLN A 75 -14.582 -1.476 -7.589 1.00 3.83 H new ATOM 0 HG3 GLN A 75 -15.705 -0.995 -8.845 1.00 3.83 H new ATOM 0 HE21 GLN A 75 -13.062 -2.334 -9.028 1.00 5.13 H new ATOM 0 HE22 GLN A 75 -12.083 -1.309 -10.082 1.00 5.13 H new TER 1112 GLN A 75