USER MOD reduce.3.24.130724 H: found=0, std=0, add=1419, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1415 hydrogens (21 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 120 THR OG1 : rot -170:sc= 1.71 USER MOD Set 1.2: A 134 SER OG : rot -103:sc= 1.25 USER MOD Set 2.1: A 92 HIS : no HE2:sc= -1 K(o=-1.2,f=-8.4!) USER MOD Set 2.2: A 94 MET CE :methyl -170:sc= -0.0986 (180deg=-0.294) USER MOD Set 2.3: A 121 GLN : amide:sc= 0.0382 K(o=-1.2,f=-5.2) USER MOD Set 2.4: A 154 MET CE :methyl 166:sc= -0.159 (180deg=-0.393) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.101 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 78:sc= 1.1 USER MOD Single : A 13 MET CE :methyl 167:sc= 0 (180deg=-0.129) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -173:sc= -0.471 (180deg=-0.638) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0647 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 33 GLN : amide:sc= 0.793 K(o=0.79,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 130:sc= -0.0896 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -61:sc= 0.126 USER MOD Single : A 43 SER OG : rot -45:sc= 0.373 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= 0.771 K(o=0.77,f=-4.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0303) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -158:sc= 2.05 USER MOD Single : A 62 ASN : amide:sc= -0.0953 X(o=-0.095,f=-0.088) USER MOD Single : A 63 TYR OH : rot 171:sc= 1.21 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -29:sc= 0.319 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.0738 K(o=-0.074,f=-0.65) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 96 ASN : amide:sc= 0.147 K(o=0.15,f=-3) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0.935 K(o=0.94,f=0) USER MOD Single : A 113 HIS : no HE2:sc= -0.758 K(o=-0.76,f=-3.1!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot -128:sc= 1.03 USER MOD Single : A 138 CYS SG : rot -74:sc= 0.391 USER MOD Single : A 139 SER OG : rot 180:sc= 0.116 USER MOD Single : A 147 SER OG : rot 67:sc= 0.769 USER MOD Single : A 151 GLN : amide:sc= -0.267 K(o=-0.27,f=-4!) USER MOD Single : A 153 LYS NZ :NH3+ -160:sc= 1.01 (180deg=0.131) USER MOD Single : A 155 GLN : amide:sc= -0.427 X(o=-0.43,f=-0.43) USER MOD Single : A 161 SER OG : rot -170:sc= 0 USER MOD Single : A 163 MET CE :methyl -144:sc= 0 (180deg=-0.144) USER MOD Single : A 166 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 169 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.585 31.290 19.165 1.00 10.36 N ATOM 2 CA MET A 1 4.554 30.311 18.724 1.00 9.43 C ATOM 3 C MET A 1 5.016 29.557 17.466 1.00 7.96 C ATOM 4 O MET A 1 6.146 29.731 17.009 1.00 8.21 O ATOM 5 CB MET A 1 3.166 30.978 18.556 1.00 10.04 C ATOM 6 CG MET A 1 2.457 31.135 19.909 1.00 11.55 C ATOM 7 SD MET A 1 0.731 31.698 19.817 1.00 12.76 S ATOM 8 CE MET A 1 0.960 33.462 19.461 1.00 13.28 C ATOM 0 H1 MET A 1 5.895 31.057 20.130 1.00 10.36 H new ATOM 0 H2 MET A 1 6.400 31.250 18.520 1.00 10.36 H new ATOM 0 H3 MET A 1 5.181 32.248 19.154 1.00 10.36 H new ATOM 0 HA MET A 1 4.433 29.565 19.510 1.00 9.43 H new ATOM 0 HB2 MET A 1 3.284 31.956 18.089 1.00 10.04 H new ATOM 0 HB3 MET A 1 2.550 30.377 17.887 1.00 10.04 H new ATOM 0 HG2 MET A 1 2.483 30.177 20.428 1.00 11.55 H new ATOM 0 HG3 MET A 1 3.021 31.842 20.517 1.00 11.55 H new ATOM 0 HE1 MET A 1 -0.013 33.945 19.376 1.00 13.28 H new ATOM 0 HE2 MET A 1 1.526 33.926 20.269 1.00 13.28 H new ATOM 0 HE3 MET A 1 1.505 33.576 18.524 1.00 13.28 H new ATOM 20 N SER A 2 4.170 28.690 16.907 1.00 6.88 N ATOM 21 CA SER A 2 4.464 27.816 15.759 1.00 5.69 C ATOM 22 C SER A 2 3.254 27.707 14.812 1.00 4.30 C ATOM 23 O SER A 2 2.112 27.956 15.210 1.00 5.32 O ATOM 24 CB SER A 2 4.907 26.426 16.257 1.00 6.77 C ATOM 25 OG SER A 2 4.011 25.860 17.213 1.00 7.94 O ATOM 0 H SER A 2 3.218 28.569 17.254 1.00 6.88 H new ATOM 0 HA SER A 2 5.280 28.259 15.188 1.00 5.69 H new ATOM 0 HB2 SER A 2 4.992 25.752 15.405 1.00 6.77 H new ATOM 0 HB3 SER A 2 5.899 26.505 16.701 1.00 6.77 H new ATOM 0 HG SER A 2 4.342 24.980 17.491 1.00 7.94 H new ATOM 31 N ASP A 3 3.494 27.354 13.543 1.00 2.82 N ATOM 32 CA ASP A 3 2.496 27.430 12.465 1.00 3.04 C ATOM 33 C ASP A 3 1.355 26.404 12.599 1.00 3.13 C ATOM 34 O ASP A 3 0.244 26.672 12.143 1.00 4.56 O ATOM 35 CB ASP A 3 3.201 27.262 11.110 1.00 3.60 C ATOM 36 CG ASP A 3 4.290 28.322 10.881 1.00 4.24 C ATOM 37 OD1 ASP A 3 3.974 29.403 10.330 1.00 5.23 O ATOM 38 OD2 ASP A 3 5.460 28.067 11.257 1.00 4.41 O ATOM 0 H ASP A 3 4.399 27.002 13.230 1.00 2.82 H new ATOM 0 HA ASP A 3 2.026 28.411 12.538 1.00 3.04 H new ATOM 0 HB2 ASP A 3 3.647 26.269 11.056 1.00 3.60 H new ATOM 0 HB3 ASP A 3 2.464 27.324 10.310 1.00 3.60 H new ATOM 43 N LYS A 4 1.627 25.239 13.210 1.00 2.05 N ATOM 44 CA LYS A 4 0.654 24.207 13.633 1.00 1.93 C ATOM 45 C LYS A 4 -0.046 23.459 12.473 1.00 1.75 C ATOM 46 O LYS A 4 -0.691 22.440 12.702 1.00 1.57 O ATOM 47 CB LYS A 4 -0.349 24.851 14.622 1.00 2.06 C ATOM 48 CG LYS A 4 -1.128 23.834 15.476 1.00 2.38 C ATOM 49 CD LYS A 4 -2.094 24.498 16.468 1.00 2.61 C ATOM 50 CE LYS A 4 -1.367 25.332 17.533 1.00 3.09 C ATOM 51 NZ LYS A 4 -2.322 25.953 18.487 1.00 4.06 N ATOM 0 H LYS A 4 2.585 24.973 13.437 1.00 2.05 H new ATOM 0 HA LYS A 4 1.211 23.414 14.132 1.00 1.93 H new ATOM 0 HB2 LYS A 4 0.193 25.527 15.284 1.00 2.06 H new ATOM 0 HB3 LYS A 4 -1.059 25.457 14.060 1.00 2.06 H new ATOM 0 HG2 LYS A 4 -1.690 23.171 14.818 1.00 2.38 H new ATOM 0 HG3 LYS A 4 -0.421 23.213 16.026 1.00 2.38 H new ATOM 0 HD2 LYS A 4 -2.787 25.138 15.922 1.00 2.61 H new ATOM 0 HD3 LYS A 4 -2.690 23.729 16.959 1.00 2.61 H new ATOM 0 HE2 LYS A 4 -0.668 24.698 18.078 1.00 3.09 H new ATOM 0 HE3 LYS A 4 -0.779 26.111 17.047 1.00 3.09 H new ATOM 0 HZ1 LYS A 4 -1.797 26.509 19.192 1.00 4.06 H new ATOM 0 HZ2 LYS A 4 -2.973 26.577 17.969 1.00 4.06 H new ATOM 0 HZ3 LYS A 4 -2.866 25.208 18.968 1.00 4.06 H new ATOM 65 N ASP A 5 0.077 23.899 11.221 1.00 1.91 N ATOM 66 CA ASP A 5 -0.735 23.372 10.117 1.00 1.88 C ATOM 67 C ASP A 5 -0.357 21.941 9.698 1.00 1.64 C ATOM 68 O ASP A 5 -1.224 21.221 9.218 1.00 1.46 O ATOM 69 CB ASP A 5 -0.719 24.345 8.932 1.00 2.55 C ATOM 70 CG ASP A 5 -1.845 24.031 7.928 1.00 3.46 C ATOM 71 OD1 ASP A 5 -3.035 24.168 8.301 1.00 5.06 O ATOM 72 OD2 ASP A 5 -1.536 23.684 6.763 1.00 3.64 O ATOM 0 H ASP A 5 0.736 24.625 10.941 1.00 1.91 H new ATOM 0 HA ASP A 5 -1.757 23.292 10.487 1.00 1.88 H new ATOM 0 HB2 ASP A 5 -0.830 25.366 9.297 1.00 2.55 H new ATOM 0 HB3 ASP A 5 0.246 24.290 8.427 1.00 2.55 H new ATOM 77 N PHE A 6 0.878 21.482 9.953 1.00 1.73 N ATOM 78 CA PHE A 6 1.233 20.056 9.858 1.00 1.63 C ATOM 79 C PHE A 6 0.457 19.217 10.887 1.00 1.48 C ATOM 80 O PHE A 6 -0.110 18.184 10.535 1.00 1.38 O ATOM 81 CB PHE A 6 2.752 19.878 10.047 1.00 1.80 C ATOM 82 CG PHE A 6 3.170 18.466 10.438 1.00 1.80 C ATOM 83 CD1 PHE A 6 3.065 17.406 9.515 1.00 2.88 C ATOM 84 CD2 PHE A 6 3.602 18.200 11.753 1.00 2.95 C ATOM 85 CE1 PHE A 6 3.395 16.093 9.905 1.00 3.52 C ATOM 86 CE2 PHE A 6 3.931 16.888 12.141 1.00 3.36 C ATOM 87 CZ PHE A 6 3.830 15.834 11.217 1.00 3.15 C ATOM 0 H PHE A 6 1.654 22.083 10.229 1.00 1.73 H new ATOM 0 HA PHE A 6 0.955 19.700 8.866 1.00 1.63 H new ATOM 0 HB2 PHE A 6 3.257 20.151 9.120 1.00 1.80 H new ATOM 0 HB3 PHE A 6 3.096 20.572 10.814 1.00 1.80 H new ATOM 0 HD1 PHE A 6 2.731 17.601 8.507 1.00 2.88 H new ATOM 0 HD2 PHE A 6 3.681 19.007 12.466 1.00 2.95 H new ATOM 0 HE1 PHE A 6 3.314 15.284 9.195 1.00 3.52 H new ATOM 0 HE2 PHE A 6 4.262 16.691 13.150 1.00 3.36 H new ATOM 0 HZ PHE A 6 4.086 14.828 11.514 1.00 3.15 H new ATOM 97 N PHE A 7 0.399 19.676 12.142 1.00 1.48 N ATOM 98 CA PHE A 7 -0.348 19.013 13.216 1.00 1.36 C ATOM 99 C PHE A 7 -1.848 19.036 12.911 1.00 1.22 C ATOM 100 O PHE A 7 -2.529 18.032 13.083 1.00 1.10 O ATOM 101 CB PHE A 7 -0.043 19.704 14.559 1.00 1.44 C ATOM 102 CG PHE A 7 -0.997 19.346 15.686 1.00 1.38 C ATOM 103 CD1 PHE A 7 -0.783 18.199 16.473 1.00 1.94 C ATOM 104 CD2 PHE A 7 -2.122 20.158 15.932 1.00 2.22 C ATOM 105 CE1 PHE A 7 -1.688 17.869 17.500 1.00 2.03 C ATOM 106 CE2 PHE A 7 -3.028 19.828 16.955 1.00 2.14 C ATOM 107 CZ PHE A 7 -2.810 18.682 17.740 1.00 1.38 C ATOM 0 H PHE A 7 0.874 20.527 12.443 1.00 1.48 H new ATOM 0 HA PHE A 7 -0.038 17.970 13.284 1.00 1.36 H new ATOM 0 HB2 PHE A 7 0.971 19.446 14.863 1.00 1.44 H new ATOM 0 HB3 PHE A 7 -0.066 20.784 14.410 1.00 1.44 H new ATOM 0 HD1 PHE A 7 0.076 17.571 16.289 1.00 1.94 H new ATOM 0 HD2 PHE A 7 -2.289 21.039 15.331 1.00 2.22 H new ATOM 0 HE1 PHE A 7 -1.520 16.990 18.104 1.00 2.03 H new ATOM 0 HE2 PHE A 7 -3.889 20.453 17.138 1.00 2.14 H new ATOM 0 HZ PHE A 7 -3.504 18.426 18.527 1.00 1.38 H new ATOM 117 N SER A 8 -2.350 20.164 12.415 1.00 1.25 N ATOM 118 CA SER A 8 -3.761 20.378 12.087 1.00 1.18 C ATOM 119 C SER A 8 -4.191 19.523 10.889 1.00 1.06 C ATOM 120 O SER A 8 -5.258 18.913 10.909 1.00 0.95 O ATOM 121 CB SER A 8 -4.004 21.866 11.800 1.00 1.31 C ATOM 122 OG SER A 8 -5.395 22.155 11.798 1.00 1.29 O ATOM 0 H SER A 8 -1.770 20.981 12.224 1.00 1.25 H new ATOM 0 HA SER A 8 -4.364 20.073 12.942 1.00 1.18 H new ATOM 0 HB2 SER A 8 -3.502 22.474 12.553 1.00 1.31 H new ATOM 0 HB3 SER A 8 -3.571 22.131 10.836 1.00 1.31 H new ATOM 0 HG SER A 8 -5.531 23.108 11.615 1.00 1.29 H new ATOM 128 N TRP A 9 -3.326 19.392 9.877 1.00 1.10 N ATOM 129 CA TRP A 9 -3.525 18.540 8.701 1.00 1.04 C ATOM 130 C TRP A 9 -3.529 17.064 9.102 1.00 0.91 C ATOM 131 O TRP A 9 -4.431 16.321 8.715 1.00 0.79 O ATOM 132 CB TRP A 9 -2.412 18.833 7.684 1.00 1.21 C ATOM 133 CG TRP A 9 -2.331 17.925 6.495 1.00 1.07 C ATOM 134 CD1 TRP A 9 -3.047 18.048 5.355 1.00 2.17 C ATOM 135 CD2 TRP A 9 -1.459 16.766 6.295 1.00 1.55 C ATOM 136 NE1 TRP A 9 -2.678 17.057 4.465 1.00 1.61 N ATOM 137 CE2 TRP A 9 -1.701 16.238 4.991 1.00 1.22 C ATOM 138 CE3 TRP A 9 -0.480 16.118 7.081 1.00 3.32 C ATOM 139 CZ2 TRP A 9 -1.007 15.124 4.492 1.00 2.30 C ATOM 140 CZ3 TRP A 9 0.224 15.001 6.588 1.00 4.63 C ATOM 141 CH2 TRP A 9 -0.035 14.506 5.297 1.00 4.09 C ATOM 0 H TRP A 9 -2.438 19.894 9.854 1.00 1.10 H new ATOM 0 HA TRP A 9 -4.492 18.758 8.247 1.00 1.04 H new ATOM 0 HB2 TRP A 9 -2.540 19.854 7.324 1.00 1.21 H new ATOM 0 HB3 TRP A 9 -1.456 18.796 8.206 1.00 1.21 H new ATOM 0 HD1 TRP A 9 -3.794 18.805 5.168 1.00 2.17 H new ATOM 0 HE1 TRP A 9 -3.079 16.945 3.534 1.00 1.61 H new ATOM 0 HE3 TRP A 9 -0.268 16.484 8.075 1.00 3.32 H new ATOM 0 HZ2 TRP A 9 -1.218 14.747 3.502 1.00 2.30 H new ATOM 0 HZ3 TRP A 9 0.968 14.521 7.206 1.00 4.63 H new ATOM 0 HH2 TRP A 9 0.512 13.652 4.925 1.00 4.09 H new ATOM 152 N ARG A 10 -2.577 16.657 9.955 1.00 0.97 N ATOM 153 CA ARG A 10 -2.511 15.286 10.474 1.00 0.94 C ATOM 154 C ARG A 10 -3.765 14.981 11.308 1.00 0.82 C ATOM 155 O ARG A 10 -4.441 13.989 11.057 1.00 0.84 O ATOM 156 CB ARG A 10 -1.201 15.090 11.263 1.00 1.08 C ATOM 157 CG ARG A 10 -0.731 13.630 11.259 1.00 1.37 C ATOM 158 CD ARG A 10 0.546 13.467 12.095 1.00 2.00 C ATOM 159 NE ARG A 10 1.200 12.168 11.843 1.00 3.02 N ATOM 160 CZ ARG A 10 2.226 11.661 12.520 1.00 3.81 C ATOM 161 NH1 ARG A 10 2.727 12.257 13.582 1.00 3.52 N ATOM 162 NH2 ARG A 10 2.775 10.529 12.131 1.00 5.40 N ATOM 0 H ARG A 10 -1.836 17.266 10.302 1.00 0.97 H new ATOM 0 HA ARG A 10 -2.498 14.571 9.651 1.00 0.94 H new ATOM 0 HB2 ARG A 10 -0.423 15.721 10.833 1.00 1.08 H new ATOM 0 HB3 ARG A 10 -1.346 15.420 12.292 1.00 1.08 H new ATOM 0 HG2 ARG A 10 -1.517 12.989 11.658 1.00 1.37 H new ATOM 0 HG3 ARG A 10 -0.545 13.306 10.235 1.00 1.37 H new ATOM 0 HD2 ARG A 10 1.239 14.275 11.862 1.00 2.00 H new ATOM 0 HD3 ARG A 10 0.301 13.552 13.154 1.00 2.00 H new ATOM 0 HE ARG A 10 0.830 11.606 11.077 1.00 3.02 H new ATOM 0 HH11 ARG A 10 2.327 13.136 13.909 1.00 3.52 H new ATOM 0 HH12 ARG A 10 3.515 11.839 14.077 1.00 3.52 H new ATOM 0 HH21 ARG A 10 2.413 10.042 11.311 1.00 5.40 H new ATOM 0 HH22 ARG A 10 3.562 10.139 12.650 1.00 5.40 H new ATOM 176 N ARG A 11 -4.163 15.899 12.199 1.00 0.77 N ATOM 177 CA ARG A 11 -5.387 15.834 13.020 1.00 0.74 C ATOM 178 C ARG A 11 -6.646 15.746 12.153 1.00 0.66 C ATOM 179 O ARG A 11 -7.522 14.934 12.440 1.00 0.66 O ATOM 180 CB ARG A 11 -5.409 17.047 13.978 1.00 0.80 C ATOM 181 CG ARG A 11 -6.755 17.387 14.651 1.00 1.24 C ATOM 182 CD ARG A 11 -7.535 18.470 13.879 1.00 2.51 C ATOM 183 NE ARG A 11 -8.824 18.792 14.517 1.00 2.86 N ATOM 184 CZ ARG A 11 -9.041 19.683 15.479 1.00 3.29 C ATOM 185 NH1 ARG A 11 -8.062 20.349 16.056 1.00 3.98 N ATOM 186 NH2 ARG A 11 -10.271 19.921 15.879 1.00 3.78 N ATOM 0 H ARG A 11 -3.620 16.744 12.377 1.00 0.77 H new ATOM 0 HA ARG A 11 -5.379 14.921 13.615 1.00 0.74 H new ATOM 0 HB2 ARG A 11 -4.673 16.872 14.763 1.00 0.80 H new ATOM 0 HB3 ARG A 11 -5.078 17.924 13.421 1.00 0.80 H new ATOM 0 HG2 ARG A 11 -7.362 16.485 14.721 1.00 1.24 H new ATOM 0 HG3 ARG A 11 -6.574 17.729 15.670 1.00 1.24 H new ATOM 0 HD2 ARG A 11 -6.929 19.374 13.813 1.00 2.51 H new ATOM 0 HD3 ARG A 11 -7.712 18.130 12.859 1.00 2.51 H new ATOM 0 HE ARG A 11 -9.638 18.275 14.184 1.00 2.86 H new ATOM 0 HH11 ARG A 11 -7.097 20.189 15.768 1.00 3.98 H new ATOM 0 HH12 ARG A 11 -8.269 21.025 16.791 1.00 3.98 H new ATOM 0 HH21 ARG A 11 -11.052 19.423 15.451 1.00 3.78 H new ATOM 0 HH22 ARG A 11 -10.444 20.604 16.617 1.00 3.78 H new ATOM 200 N THR A 12 -6.725 16.539 11.078 1.00 0.66 N ATOM 201 CA THR A 12 -7.846 16.550 10.125 1.00 0.63 C ATOM 202 C THR A 12 -7.958 15.204 9.434 1.00 0.59 C ATOM 203 O THR A 12 -9.054 14.662 9.360 1.00 0.58 O ATOM 204 CB THR A 12 -7.688 17.700 9.121 1.00 0.69 C ATOM 205 OG1 THR A 12 -7.803 18.910 9.833 1.00 0.77 O ATOM 206 CG2 THR A 12 -8.765 17.699 8.035 1.00 0.71 C ATOM 0 H THR A 12 -5.994 17.209 10.839 1.00 0.66 H new ATOM 0 HA THR A 12 -8.776 16.721 10.668 1.00 0.63 H new ATOM 0 HB THR A 12 -6.721 17.581 8.632 1.00 0.69 H new ATOM 0 HG1 THR A 12 -6.964 19.093 10.305 1.00 0.77 H new ATOM 0 HG21 THR A 12 -8.598 18.536 7.357 1.00 0.71 H new ATOM 0 HG22 THR A 12 -8.718 16.764 7.477 1.00 0.71 H new ATOM 0 HG23 THR A 12 -9.748 17.796 8.497 1.00 0.71 H new ATOM 214 N MET A 13 -6.838 14.618 9.009 1.00 0.58 N ATOM 215 CA MET A 13 -6.839 13.276 8.424 1.00 0.55 C ATOM 216 C MET A 13 -7.238 12.222 9.461 1.00 0.54 C ATOM 217 O MET A 13 -8.126 11.425 9.172 1.00 0.52 O ATOM 218 CB MET A 13 -5.484 12.973 7.755 1.00 0.61 C ATOM 219 CG MET A 13 -5.653 12.672 6.258 1.00 0.86 C ATOM 220 SD MET A 13 -6.525 13.908 5.247 1.00 1.20 S ATOM 221 CE MET A 13 -5.513 15.374 5.561 1.00 1.37 C ATOM 0 H MET A 13 -5.917 15.052 9.059 1.00 0.58 H new ATOM 0 HA MET A 13 -7.595 13.237 7.640 1.00 0.55 H new ATOM 0 HB2 MET A 13 -4.815 13.824 7.883 1.00 0.61 H new ATOM 0 HB3 MET A 13 -5.015 12.121 8.248 1.00 0.61 H new ATOM 0 HG2 MET A 13 -4.661 12.526 5.830 1.00 0.86 H new ATOM 0 HG3 MET A 13 -6.184 11.725 6.163 1.00 0.86 H new ATOM 0 HE1 MET A 13 -5.770 16.154 4.844 1.00 1.37 H new ATOM 0 HE2 MET A 13 -5.699 15.735 6.572 1.00 1.37 H new ATOM 0 HE3 MET A 13 -4.459 15.118 5.456 1.00 1.37 H new ATOM 231 N LEU A 14 -6.697 12.275 10.685 1.00 0.62 N ATOM 232 CA LEU A 14 -7.046 11.344 11.769 1.00 0.69 C ATOM 233 C LEU A 14 -8.554 11.374 12.054 1.00 0.66 C ATOM 234 O LEU A 14 -9.192 10.326 12.162 1.00 0.70 O ATOM 235 CB LEU A 14 -6.208 11.620 13.045 1.00 0.79 C ATOM 236 CG LEU A 14 -4.930 10.753 13.174 1.00 1.37 C ATOM 237 CD1 LEU A 14 -3.767 11.262 12.317 1.00 3.02 C ATOM 238 CD2 LEU A 14 -4.442 10.670 14.629 1.00 2.07 C ATOM 0 H LEU A 14 -6.000 12.969 10.954 1.00 0.62 H new ATOM 0 HA LEU A 14 -6.797 10.335 11.440 1.00 0.69 H new ATOM 0 HB2 LEU A 14 -5.921 12.672 13.056 1.00 0.79 H new ATOM 0 HB3 LEU A 14 -6.836 11.452 13.920 1.00 0.79 H new ATOM 0 HG LEU A 14 -5.227 9.767 12.816 1.00 1.37 H new ATOM 0 HD11 LEU A 14 -2.903 10.611 12.453 1.00 3.02 H new ATOM 0 HD12 LEU A 14 -4.061 11.261 11.267 1.00 3.02 H new ATOM 0 HD13 LEU A 14 -3.508 12.277 12.620 1.00 3.02 H new ATOM 0 HD21 LEU A 14 -3.544 10.054 14.677 1.00 2.07 H new ATOM 0 HD22 LEU A 14 -4.214 11.671 14.994 1.00 2.07 H new ATOM 0 HD23 LEU A 14 -5.221 10.226 15.249 1.00 2.07 H new ATOM 250 N LEU A 15 -9.146 12.571 12.101 1.00 0.61 N ATOM 251 CA LEU A 15 -10.577 12.780 12.315 1.00 0.60 C ATOM 252 C LEU A 15 -11.387 12.232 11.127 1.00 0.56 C ATOM 253 O LEU A 15 -12.337 11.481 11.342 1.00 0.61 O ATOM 254 CB LEU A 15 -10.779 14.287 12.600 1.00 0.61 C ATOM 255 CG LEU A 15 -12.064 14.721 13.332 1.00 0.70 C ATOM 256 CD1 LEU A 15 -13.323 14.513 12.490 1.00 0.74 C ATOM 257 CD2 LEU A 15 -12.221 14.024 14.693 1.00 0.87 C ATOM 0 H LEU A 15 -8.628 13.442 11.988 1.00 0.61 H new ATOM 0 HA LEU A 15 -10.953 12.224 13.174 1.00 0.60 H new ATOM 0 HB2 LEU A 15 -9.928 14.632 13.187 1.00 0.61 H new ATOM 0 HB3 LEU A 15 -10.744 14.814 11.647 1.00 0.61 H new ATOM 0 HG LEU A 15 -11.951 15.791 13.504 1.00 0.70 H new ATOM 0 HD11 LEU A 15 -14.197 14.836 13.056 1.00 0.74 H new ATOM 0 HD12 LEU A 15 -13.248 15.098 11.573 1.00 0.74 H new ATOM 0 HD13 LEU A 15 -13.423 13.457 12.240 1.00 0.74 H new ATOM 0 HD21 LEU A 15 -13.141 14.362 15.171 1.00 0.87 H new ATOM 0 HD22 LEU A 15 -12.264 12.945 14.546 1.00 0.87 H new ATOM 0 HD23 LEU A 15 -11.370 14.271 15.328 1.00 0.87 H new ATOM 269 N ARG A 16 -10.970 12.508 9.882 1.00 0.51 N ATOM 270 CA ARG A 16 -11.608 11.983 8.658 1.00 0.54 C ATOM 271 C ARG A 16 -11.582 10.451 8.604 1.00 0.57 C ATOM 272 O ARG A 16 -12.596 9.827 8.291 1.00 0.62 O ATOM 273 CB ARG A 16 -10.926 12.559 7.408 1.00 0.58 C ATOM 274 CG ARG A 16 -11.295 14.034 7.191 1.00 0.67 C ATOM 275 CD ARG A 16 -10.359 14.695 6.175 1.00 0.76 C ATOM 276 NE ARG A 16 -10.684 14.300 4.793 1.00 1.01 N ATOM 277 CZ ARG A 16 -11.263 15.037 3.856 1.00 1.49 C ATOM 278 NH1 ARG A 16 -11.636 16.287 4.051 1.00 2.59 N ATOM 279 NH2 ARG A 16 -11.476 14.484 2.686 1.00 2.08 N ATOM 0 H ARG A 16 -10.169 13.110 9.691 1.00 0.51 H new ATOM 0 HA ARG A 16 -12.652 12.297 8.682 1.00 0.54 H new ATOM 0 HB2 ARG A 16 -9.845 12.465 7.507 1.00 0.58 H new ATOM 0 HB3 ARG A 16 -11.218 11.978 6.533 1.00 0.58 H new ATOM 0 HG2 ARG A 16 -12.325 14.106 6.841 1.00 0.67 H new ATOM 0 HG3 ARG A 16 -11.242 14.568 8.140 1.00 0.67 H new ATOM 0 HD2 ARG A 16 -10.428 15.779 6.269 1.00 0.76 H new ATOM 0 HD3 ARG A 16 -9.328 14.421 6.398 1.00 0.76 H new ATOM 0 HE ARG A 16 -10.434 13.348 4.526 1.00 1.01 H new ATOM 0 HH11 ARG A 16 -11.482 16.730 4.957 1.00 2.59 H new ATOM 0 HH12 ARG A 16 -12.078 16.811 3.296 1.00 2.59 H new ATOM 0 HH21 ARG A 16 -11.198 13.517 2.521 1.00 2.08 H new ATOM 0 HH22 ARG A 16 -11.920 15.021 1.941 1.00 2.08 H new ATOM 293 N PHE A 17 -10.459 9.827 8.963 1.00 0.56 N ATOM 294 CA PHE A 17 -10.308 8.372 9.030 1.00 0.61 C ATOM 295 C PHE A 17 -11.161 7.745 10.146 1.00 0.66 C ATOM 296 O PHE A 17 -11.742 6.682 9.935 1.00 0.71 O ATOM 297 CB PHE A 17 -8.822 8.025 9.133 1.00 0.64 C ATOM 298 CG PHE A 17 -8.075 8.076 7.807 1.00 0.65 C ATOM 299 CD1 PHE A 17 -8.356 7.125 6.804 1.00 2.09 C ATOM 300 CD2 PHE A 17 -7.007 8.975 7.619 1.00 1.99 C ATOM 301 CE1 PHE A 17 -7.579 7.084 5.630 1.00 2.19 C ATOM 302 CE2 PHE A 17 -6.220 8.926 6.460 1.00 1.94 C ATOM 303 CZ PHE A 17 -6.517 7.991 5.456 1.00 0.78 C ATOM 0 H PHE A 17 -9.610 10.330 9.221 1.00 0.56 H new ATOM 0 HA PHE A 17 -10.694 7.930 8.111 1.00 0.61 H new ATOM 0 HB2 PHE A 17 -8.347 8.714 9.831 1.00 0.64 H new ATOM 0 HB3 PHE A 17 -8.722 7.025 9.555 1.00 0.64 H new ATOM 0 HD1 PHE A 17 -9.169 6.427 6.937 1.00 2.09 H new ATOM 0 HD2 PHE A 17 -6.792 9.712 8.378 1.00 1.99 H new ATOM 0 HE1 PHE A 17 -7.798 6.356 4.863 1.00 2.19 H new ATOM 0 HE2 PHE A 17 -5.389 9.605 6.340 1.00 1.94 H new ATOM 0 HZ PHE A 17 -5.930 7.968 4.550 1.00 0.78 H new ATOM 313 N GLN A 18 -11.338 8.432 11.282 1.00 0.68 N ATOM 314 CA GLN A 18 -12.329 8.068 12.308 1.00 0.75 C ATOM 315 C GLN A 18 -13.786 8.228 11.805 1.00 0.76 C ATOM 316 O GLN A 18 -14.694 7.586 12.336 1.00 0.88 O ATOM 317 CB GLN A 18 -12.068 8.911 13.578 1.00 0.78 C ATOM 318 CG GLN A 18 -12.135 8.116 14.894 1.00 1.20 C ATOM 319 CD GLN A 18 -13.551 7.714 15.315 1.00 1.92 C ATOM 320 OE1 GLN A 18 -14.375 8.539 15.696 1.00 2.42 O ATOM 321 NE2 GLN A 18 -13.887 6.438 15.294 1.00 3.16 N ATOM 0 H GLN A 18 -10.795 9.262 11.518 1.00 0.68 H new ATOM 0 HA GLN A 18 -12.213 7.010 12.545 1.00 0.75 H new ATOM 0 HB2 GLN A 18 -11.084 9.373 13.497 1.00 0.78 H new ATOM 0 HB3 GLN A 18 -12.798 9.720 13.619 1.00 0.78 H new ATOM 0 HG2 GLN A 18 -11.529 7.216 14.792 1.00 1.20 H new ATOM 0 HG3 GLN A 18 -11.688 8.713 15.689 1.00 1.20 H new ATOM 0 HE21 GLN A 18 -13.214 5.739 14.980 1.00 3.16 H new ATOM 0 HE22 GLN A 18 -14.819 6.151 15.592 1.00 3.16 H new ATOM 330 N ARG A 19 -14.020 9.052 10.771 1.00 0.71 N ATOM 331 CA ARG A 19 -15.341 9.356 10.197 1.00 0.75 C ATOM 332 C ARG A 19 -15.828 8.380 9.111 1.00 0.81 C ATOM 333 O ARG A 19 -17.021 8.384 8.803 1.00 0.94 O ATOM 334 CB ARG A 19 -15.334 10.789 9.613 1.00 0.78 C ATOM 335 CG ARG A 19 -16.484 11.637 10.168 1.00 0.92 C ATOM 336 CD ARG A 19 -16.164 12.128 11.586 1.00 0.94 C ATOM 337 NE ARG A 19 -17.383 12.551 12.297 1.00 1.24 N ATOM 338 CZ ARG A 19 -18.175 11.779 13.034 1.00 1.90 C ATOM 339 NH1 ARG A 19 -17.920 10.500 13.236 1.00 2.76 N ATOM 340 NH2 ARG A 19 -19.253 12.291 13.584 1.00 2.34 N ATOM 0 H ARG A 19 -13.265 9.544 10.293 1.00 0.71 H new ATOM 0 HA ARG A 19 -16.041 9.254 11.026 1.00 0.75 H new ATOM 0 HB2 ARG A 19 -14.384 11.270 9.843 1.00 0.78 H new ATOM 0 HB3 ARG A 19 -15.411 10.739 8.527 1.00 0.78 H new ATOM 0 HG2 ARG A 19 -16.661 12.491 9.514 1.00 0.92 H new ATOM 0 HG3 ARG A 19 -17.402 11.049 10.180 1.00 0.92 H new ATOM 0 HD2 ARG A 19 -15.672 11.332 12.146 1.00 0.94 H new ATOM 0 HD3 ARG A 19 -15.463 12.961 11.535 1.00 0.94 H new ATOM 0 HE ARG A 19 -17.645 13.533 12.216 1.00 1.24 H new ATOM 0 HH11 ARG A 19 -17.092 10.073 12.820 1.00 2.76 H new ATOM 0 HH12 ARG A 19 -18.551 9.938 13.808 1.00 2.76 H new ATOM 0 HH21 ARG A 19 -19.478 13.276 13.444 1.00 2.34 H new ATOM 0 HH22 ARG A 19 -19.865 11.703 14.151 1.00 2.34 H new ATOM 354 N MET A 20 -14.941 7.575 8.508 1.00 0.77 N ATOM 355 CA MET A 20 -15.215 6.791 7.284 1.00 0.90 C ATOM 356 C MET A 20 -16.460 5.902 7.343 1.00 1.23 C ATOM 357 O MET A 20 -17.184 5.806 6.354 1.00 3.04 O ATOM 358 CB MET A 20 -13.999 5.914 6.941 1.00 0.77 C ATOM 359 CG MET A 20 -12.775 6.753 6.583 1.00 0.74 C ATOM 360 SD MET A 20 -12.997 7.918 5.219 1.00 0.92 S ATOM 361 CE MET A 20 -11.359 8.667 5.270 1.00 0.68 C ATOM 0 H MET A 20 -13.993 7.445 8.861 1.00 0.77 H new ATOM 0 HA MET A 20 -15.410 7.536 6.513 1.00 0.90 H new ATOM 0 HB2 MET A 20 -13.763 5.272 7.790 1.00 0.77 H new ATOM 0 HB3 MET A 20 -14.248 5.259 6.106 1.00 0.77 H new ATOM 0 HG2 MET A 20 -12.468 7.311 7.468 1.00 0.74 H new ATOM 0 HG3 MET A 20 -11.956 6.079 6.332 1.00 0.74 H new ATOM 0 HE1 MET A 20 -11.323 9.510 4.580 1.00 0.68 H new ATOM 0 HE2 MET A 20 -11.150 9.016 6.281 1.00 0.68 H new ATOM 0 HE3 MET A 20 -10.612 7.928 4.979 1.00 0.68 H new ATOM 371 N GLU A 21 -16.684 5.220 8.472 1.00 1.13 N ATOM 372 CA GLU A 21 -17.859 4.382 8.773 1.00 1.10 C ATOM 373 C GLU A 21 -17.936 3.075 7.952 1.00 0.95 C ATOM 374 O GLU A 21 -18.663 2.155 8.341 1.00 0.94 O ATOM 375 CB GLU A 21 -19.157 5.209 8.634 1.00 1.34 C ATOM 376 CG GLU A 21 -20.266 4.736 9.583 1.00 1.85 C ATOM 377 CD GLU A 21 -21.406 5.765 9.653 1.00 2.25 C ATOM 378 OE1 GLU A 21 -22.298 5.751 8.771 1.00 2.83 O ATOM 379 OE2 GLU A 21 -21.426 6.588 10.599 1.00 3.03 O ATOM 0 H GLU A 21 -16.017 5.236 9.244 1.00 1.13 H new ATOM 0 HA GLU A 21 -17.743 4.059 9.807 1.00 1.10 H new ATOM 0 HB2 GLU A 21 -18.937 6.258 8.833 1.00 1.34 H new ATOM 0 HB3 GLU A 21 -19.514 5.147 7.606 1.00 1.34 H new ATOM 0 HG2 GLU A 21 -20.657 3.777 9.242 1.00 1.85 H new ATOM 0 HG3 GLU A 21 -19.854 4.576 10.579 1.00 1.85 H new ATOM 386 N THR A 22 -17.173 2.962 6.850 1.00 0.90 N ATOM 387 CA THR A 22 -17.096 1.784 5.973 1.00 0.89 C ATOM 388 C THR A 22 -15.652 1.483 5.574 1.00 0.79 C ATOM 389 O THR A 22 -14.826 2.390 5.445 1.00 0.73 O ATOM 390 CB THR A 22 -17.969 1.937 4.717 1.00 1.06 C ATOM 391 OG1 THR A 22 -17.340 2.771 3.767 1.00 0.98 O ATOM 392 CG2 THR A 22 -19.374 2.486 4.992 1.00 1.33 C ATOM 0 H THR A 22 -16.569 3.721 6.535 1.00 0.90 H new ATOM 0 HA THR A 22 -17.484 0.944 6.549 1.00 0.89 H new ATOM 0 HB THR A 22 -18.085 0.924 4.331 1.00 1.06 H new ATOM 0 HG1 THR A 22 -17.911 2.854 2.975 1.00 0.98 H new ATOM 0 HG21 THR A 22 -19.924 2.563 4.054 1.00 1.33 H new ATOM 0 HG22 THR A 22 -19.902 1.813 5.668 1.00 1.33 H new ATOM 0 HG23 THR A 22 -19.296 3.472 5.449 1.00 1.33 H new ATOM 400 N ALA A 23 -15.349 0.201 5.350 1.00 0.83 N ATOM 401 CA ALA A 23 -14.019 -0.257 4.921 1.00 0.80 C ATOM 402 C ALA A 23 -13.629 0.308 3.547 1.00 0.77 C ATOM 403 O ALA A 23 -12.456 0.556 3.274 1.00 0.74 O ATOM 404 CB ALA A 23 -14.007 -1.792 4.919 1.00 0.92 C ATOM 0 H ALA A 23 -16.023 -0.556 5.461 1.00 0.83 H new ATOM 0 HA ALA A 23 -13.273 0.115 5.623 1.00 0.80 H new ATOM 0 HB1 ALA A 23 -13.026 -2.148 4.603 1.00 0.92 H new ATOM 0 HB2 ALA A 23 -14.220 -2.159 5.923 1.00 0.92 H new ATOM 0 HB3 ALA A 23 -14.766 -2.161 4.230 1.00 0.92 H new ATOM 410 N GLU A 24 -14.633 0.514 2.693 1.00 0.83 N ATOM 411 CA GLU A 24 -14.479 1.073 1.356 1.00 0.84 C ATOM 412 C GLU A 24 -13.950 2.508 1.422 1.00 0.76 C ATOM 413 O GLU A 24 -12.986 2.841 0.737 1.00 0.76 O ATOM 414 CB GLU A 24 -15.788 0.980 0.554 1.00 0.98 C ATOM 415 CG GLU A 24 -16.362 -0.446 0.535 1.00 1.12 C ATOM 416 CD GLU A 24 -17.402 -0.626 -0.582 1.00 1.35 C ATOM 417 OE1 GLU A 24 -18.550 -0.141 -0.433 1.00 1.98 O ATOM 418 OE2 GLU A 24 -17.085 -1.271 -1.609 1.00 2.26 O ATOM 0 H GLU A 24 -15.601 0.289 2.922 1.00 0.83 H new ATOM 0 HA GLU A 24 -13.739 0.475 0.824 1.00 0.84 H new ATOM 0 HB2 GLU A 24 -16.524 1.659 0.984 1.00 0.98 H new ATOM 0 HB3 GLU A 24 -15.609 1.311 -0.469 1.00 0.98 H new ATOM 0 HG2 GLU A 24 -15.552 -1.162 0.397 1.00 1.12 H new ATOM 0 HG3 GLU A 24 -16.821 -0.666 1.499 1.00 1.12 H new ATOM 425 N GLU A 25 -14.532 3.358 2.278 1.00 0.73 N ATOM 426 CA GLU A 25 -14.144 4.768 2.338 1.00 0.70 C ATOM 427 C GLU A 25 -12.730 4.969 2.919 1.00 0.62 C ATOM 428 O GLU A 25 -12.014 5.870 2.477 1.00 0.61 O ATOM 429 CB GLU A 25 -15.232 5.631 3.000 1.00 0.86 C ATOM 430 CG GLU A 25 -15.346 7.008 2.322 1.00 1.36 C ATOM 431 CD GLU A 25 -16.738 7.629 2.519 1.00 1.89 C ATOM 432 OE1 GLU A 25 -17.680 7.237 1.787 1.00 2.94 O ATOM 433 OE2 GLU A 25 -16.897 8.537 3.368 1.00 2.61 O ATOM 0 H GLU A 25 -15.268 3.094 2.933 1.00 0.73 H new ATOM 0 HA GLU A 25 -14.070 5.132 1.313 1.00 0.70 H new ATOM 0 HB2 GLU A 25 -16.191 5.116 2.945 1.00 0.86 H new ATOM 0 HB3 GLU A 25 -15.001 5.762 4.057 1.00 0.86 H new ATOM 0 HG2 GLU A 25 -14.589 7.677 2.730 1.00 1.36 H new ATOM 0 HG3 GLU A 25 -15.141 6.906 1.256 1.00 1.36 H new ATOM 440 N VAL A 26 -12.292 4.095 3.839 1.00 0.61 N ATOM 441 CA VAL A 26 -10.892 4.065 4.332 1.00 0.55 C ATOM 442 C VAL A 26 -9.898 3.887 3.175 1.00 0.56 C ATOM 443 O VAL A 26 -8.914 4.623 3.101 1.00 0.55 O ATOM 444 CB VAL A 26 -10.664 2.949 5.386 1.00 0.56 C ATOM 445 CG1 VAL A 26 -9.191 2.818 5.823 1.00 0.55 C ATOM 446 CG2 VAL A 26 -11.504 3.180 6.655 1.00 0.61 C ATOM 0 H VAL A 26 -12.891 3.388 4.266 1.00 0.61 H new ATOM 0 HA VAL A 26 -10.716 5.028 4.812 1.00 0.55 H new ATOM 0 HB VAL A 26 -10.971 2.031 4.884 1.00 0.56 H new ATOM 0 HG11 VAL A 26 -9.100 2.021 6.561 1.00 0.55 H new ATOM 0 HG12 VAL A 26 -8.574 2.583 4.956 1.00 0.55 H new ATOM 0 HG13 VAL A 26 -8.857 3.758 6.262 1.00 0.55 H new ATOM 0 HG21 VAL A 26 -11.315 2.377 7.367 1.00 0.61 H new ATOM 0 HG22 VAL A 26 -11.230 4.135 7.104 1.00 0.61 H new ATOM 0 HG23 VAL A 26 -12.562 3.192 6.394 1.00 0.61 H new ATOM 456 N TYR A 27 -10.156 2.951 2.251 1.00 0.62 N ATOM 457 CA TYR A 27 -9.291 2.762 1.080 1.00 0.65 C ATOM 458 C TYR A 27 -9.533 3.864 0.019 1.00 0.65 C ATOM 459 O TYR A 27 -8.618 4.267 -0.696 1.00 0.65 O ATOM 460 CB TYR A 27 -9.355 1.316 0.545 1.00 0.76 C ATOM 461 CG TYR A 27 -10.261 1.057 -0.644 1.00 0.83 C ATOM 462 CD1 TYR A 27 -9.900 1.525 -1.922 1.00 1.66 C ATOM 463 CD2 TYR A 27 -11.449 0.324 -0.479 1.00 1.59 C ATOM 464 CE1 TYR A 27 -10.767 1.339 -3.014 1.00 1.73 C ATOM 465 CE2 TYR A 27 -12.320 0.124 -1.569 1.00 1.64 C ATOM 466 CZ TYR A 27 -11.985 0.645 -2.841 1.00 1.02 C ATOM 467 OH TYR A 27 -12.822 0.471 -3.903 1.00 1.12 O ATOM 0 H TYR A 27 -10.953 2.316 2.292 1.00 0.62 H new ATOM 0 HA TYR A 27 -8.253 2.890 1.389 1.00 0.65 H new ATOM 0 HB2 TYR A 27 -8.344 1.011 0.273 1.00 0.76 H new ATOM 0 HB3 TYR A 27 -9.674 0.668 1.361 1.00 0.76 H new ATOM 0 HD1 TYR A 27 -8.955 2.028 -2.064 1.00 1.66 H new ATOM 0 HD2 TYR A 27 -11.696 -0.088 0.488 1.00 1.59 H new ATOM 0 HE1 TYR A 27 -10.501 1.727 -3.986 1.00 1.73 H new ATOM 0 HE2 TYR A 27 -13.240 -0.425 -1.434 1.00 1.64 H new ATOM 0 HH TYR A 27 -13.616 -0.027 -3.616 1.00 1.12 H new ATOM 477 N HIS A 28 -10.758 4.379 -0.083 1.00 0.69 N ATOM 478 CA HIS A 28 -11.124 5.452 -1.007 1.00 0.73 C ATOM 479 C HIS A 28 -10.370 6.762 -0.726 1.00 0.67 C ATOM 480 O HIS A 28 -9.880 7.383 -1.662 1.00 0.69 O ATOM 481 CB HIS A 28 -12.641 5.671 -0.977 1.00 0.85 C ATOM 482 CG HIS A 28 -13.200 6.551 -2.070 1.00 0.86 C ATOM 483 ND1 HIS A 28 -14.214 7.471 -1.916 1.00 0.98 N ATOM 484 CD2 HIS A 28 -12.887 6.526 -3.405 1.00 0.91 C ATOM 485 CE1 HIS A 28 -14.509 7.978 -3.125 1.00 1.07 C ATOM 486 NE2 HIS A 28 -13.722 7.434 -4.071 1.00 1.04 N ATOM 0 H HIS A 28 -11.540 4.055 0.486 1.00 0.69 H new ATOM 0 HA HIS A 28 -10.826 5.139 -2.007 1.00 0.73 H new ATOM 0 HB2 HIS A 28 -13.131 4.699 -1.033 1.00 0.85 H new ATOM 0 HB3 HIS A 28 -12.907 6.107 -0.014 1.00 0.85 H new ATOM 0 HD2 HIS A 28 -12.127 5.912 -3.865 1.00 0.91 H new ATOM 0 HE1 HIS A 28 -15.272 8.719 -3.311 1.00 1.07 H new ATOM 0 HE2 HIS A 28 -13.731 7.640 -5.070 1.00 1.04 H new ATOM 494 N GLU A 29 -10.216 7.188 0.533 1.00 0.64 N ATOM 495 CA GLU A 29 -9.459 8.419 0.823 1.00 0.65 C ATOM 496 C GLU A 29 -7.984 8.290 0.393 1.00 0.59 C ATOM 497 O GLU A 29 -7.415 9.212 -0.196 1.00 0.63 O ATOM 498 CB GLU A 29 -9.587 8.756 2.317 1.00 0.72 C ATOM 499 CG GLU A 29 -9.005 10.120 2.726 1.00 0.99 C ATOM 500 CD GLU A 29 -9.931 11.297 2.380 1.00 1.19 C ATOM 501 OE1 GLU A 29 -10.045 11.680 1.194 1.00 2.51 O ATOM 502 OE2 GLU A 29 -10.534 11.882 3.309 1.00 1.99 O ATOM 0 H GLU A 29 -10.594 6.714 1.353 1.00 0.64 H new ATOM 0 HA GLU A 29 -9.881 9.239 0.241 1.00 0.65 H new ATOM 0 HB2 GLU A 29 -10.642 8.731 2.591 1.00 0.72 H new ATOM 0 HB3 GLU A 29 -9.089 7.977 2.894 1.00 0.72 H new ATOM 0 HG2 GLU A 29 -8.813 10.120 3.799 1.00 0.99 H new ATOM 0 HG3 GLU A 29 -8.045 10.262 2.230 1.00 0.99 H new ATOM 509 N ILE A 30 -7.359 7.132 0.639 1.00 0.54 N ATOM 510 CA ILE A 30 -5.959 6.904 0.219 1.00 0.57 C ATOM 511 C ILE A 30 -5.794 6.705 -1.297 1.00 0.57 C ATOM 512 O ILE A 30 -4.770 7.110 -1.845 1.00 0.63 O ATOM 513 CB ILE A 30 -5.282 5.784 1.033 1.00 0.61 C ATOM 514 CG1 ILE A 30 -5.931 4.417 0.796 1.00 0.61 C ATOM 515 CG2 ILE A 30 -5.312 6.163 2.523 1.00 0.69 C ATOM 516 CD1 ILE A 30 -5.280 3.275 1.566 1.00 0.70 C ATOM 0 H ILE A 30 -7.789 6.343 1.121 1.00 0.54 H new ATOM 0 HA ILE A 30 -5.432 7.830 0.448 1.00 0.57 H new ATOM 0 HB ILE A 30 -4.249 5.690 0.698 1.00 0.61 H new ATOM 0 HG12 ILE A 30 -6.984 4.474 1.074 1.00 0.61 H new ATOM 0 HG13 ILE A 30 -5.894 4.190 -0.269 1.00 0.61 H new ATOM 0 HG21 ILE A 30 -4.835 5.377 3.108 1.00 0.69 H new ATOM 0 HG22 ILE A 30 -4.776 7.101 2.671 1.00 0.69 H new ATOM 0 HG23 ILE A 30 -6.346 6.281 2.848 1.00 0.69 H new ATOM 0 HD11 ILE A 30 -5.799 2.343 1.342 1.00 0.70 H new ATOM 0 HD12 ILE A 30 -4.234 3.188 1.272 1.00 0.70 H new ATOM 0 HD13 ILE A 30 -5.340 3.476 2.636 1.00 0.70 H new ATOM 528 N GLU A 31 -6.786 6.138 -1.993 1.00 0.57 N ATOM 529 CA GLU A 31 -6.744 5.996 -3.454 1.00 0.62 C ATOM 530 C GLU A 31 -6.995 7.338 -4.162 1.00 0.63 C ATOM 531 O GLU A 31 -6.286 7.682 -5.112 1.00 0.64 O ATOM 532 CB GLU A 31 -7.651 4.848 -3.936 1.00 0.71 C ATOM 533 CG GLU A 31 -9.164 5.062 -4.032 1.00 1.50 C ATOM 534 CD GLU A 31 -9.706 5.226 -5.462 1.00 2.02 C ATOM 535 OE1 GLU A 31 -9.172 6.056 -6.231 1.00 2.79 O ATOM 536 OE2 GLU A 31 -10.713 4.564 -5.805 1.00 3.15 O ATOM 0 H GLU A 31 -7.634 5.767 -1.564 1.00 0.57 H new ATOM 0 HA GLU A 31 -5.733 5.706 -3.741 1.00 0.62 H new ATOM 0 HB2 GLU A 31 -7.301 4.551 -4.925 1.00 0.71 H new ATOM 0 HB3 GLU A 31 -7.484 4.001 -3.271 1.00 0.71 H new ATOM 0 HG2 GLU A 31 -9.666 4.216 -3.564 1.00 1.50 H new ATOM 0 HG3 GLU A 31 -9.428 5.948 -3.455 1.00 1.50 H new ATOM 543 N LEU A 32 -7.904 8.163 -3.626 1.00 0.63 N ATOM 544 CA LEU A 32 -8.098 9.551 -4.041 1.00 0.68 C ATOM 545 C LEU A 32 -6.808 10.367 -3.894 1.00 0.67 C ATOM 546 O LEU A 32 -6.478 11.133 -4.796 1.00 0.74 O ATOM 547 CB LEU A 32 -9.242 10.167 -3.213 1.00 0.72 C ATOM 548 CG LEU A 32 -10.659 9.750 -3.657 1.00 0.80 C ATOM 549 CD1 LEU A 32 -11.669 10.307 -2.643 1.00 0.84 C ATOM 550 CD2 LEU A 32 -11.010 10.260 -5.061 1.00 0.89 C ATOM 0 H LEU A 32 -8.535 7.875 -2.878 1.00 0.63 H new ATOM 0 HA LEU A 32 -8.365 9.571 -5.098 1.00 0.68 H new ATOM 0 HB2 LEU A 32 -9.107 9.887 -2.168 1.00 0.72 H new ATOM 0 HB3 LEU A 32 -9.165 11.253 -3.265 1.00 0.72 H new ATOM 0 HG LEU A 32 -10.695 8.661 -3.694 1.00 0.80 H new ATOM 0 HD11 LEU A 32 -12.678 10.022 -2.941 1.00 0.84 H new ATOM 0 HD12 LEU A 32 -11.454 9.901 -1.655 1.00 0.84 H new ATOM 0 HD13 LEU A 32 -11.593 11.394 -2.613 1.00 0.84 H new ATOM 0 HD21 LEU A 32 -12.018 9.938 -5.324 1.00 0.89 H new ATOM 0 HD22 LEU A 32 -10.961 11.349 -5.075 1.00 0.89 H new ATOM 0 HD23 LEU A 32 -10.300 9.856 -5.783 1.00 0.89 H new ATOM 562 N GLN A 33 -6.044 10.176 -2.817 1.00 0.63 N ATOM 563 CA GLN A 33 -4.770 10.869 -2.600 1.00 0.65 C ATOM 564 C GLN A 33 -3.713 10.501 -3.661 1.00 0.63 C ATOM 565 O GLN A 33 -2.904 11.358 -4.013 1.00 0.74 O ATOM 566 CB GLN A 33 -4.299 10.567 -1.162 1.00 0.70 C ATOM 567 CG GLN A 33 -2.927 11.134 -0.754 1.00 1.10 C ATOM 568 CD GLN A 33 -2.861 12.663 -0.764 1.00 1.45 C ATOM 569 OE1 GLN A 33 -3.001 13.324 0.256 1.00 1.98 O ATOM 570 NE2 GLN A 33 -2.639 13.283 -1.905 1.00 2.72 N ATOM 0 H GLN A 33 -6.292 9.533 -2.065 1.00 0.63 H new ATOM 0 HA GLN A 33 -4.914 11.943 -2.714 1.00 0.65 H new ATOM 0 HB2 GLN A 33 -5.047 10.954 -0.470 1.00 0.70 H new ATOM 0 HB3 GLN A 33 -4.273 9.485 -1.032 1.00 0.70 H new ATOM 0 HG2 GLN A 33 -2.679 10.776 0.245 1.00 1.10 H new ATOM 0 HG3 GLN A 33 -2.167 10.743 -1.430 1.00 1.10 H new ATOM 0 HE21 GLN A 33 -2.520 12.745 -2.763 1.00 2.72 H new ATOM 0 HE22 GLN A 33 -2.586 14.301 -1.930 1.00 2.72 H new ATOM 579 N ALA A 34 -3.724 9.278 -4.205 1.00 0.57 N ATOM 580 CA ALA A 34 -2.885 8.888 -5.345 1.00 0.57 C ATOM 581 C ALA A 34 -3.374 9.497 -6.673 1.00 0.58 C ATOM 582 O ALA A 34 -2.588 10.023 -7.463 1.00 0.59 O ATOM 583 CB ALA A 34 -2.864 7.356 -5.423 1.00 0.59 C ATOM 0 H ALA A 34 -4.321 8.525 -3.863 1.00 0.57 H new ATOM 0 HA ALA A 34 -1.879 9.276 -5.188 1.00 0.57 H new ATOM 0 HB1 ALA A 34 -2.246 7.043 -6.264 1.00 0.59 H new ATOM 0 HB2 ALA A 34 -2.452 6.950 -4.499 1.00 0.59 H new ATOM 0 HB3 ALA A 34 -3.879 6.985 -5.561 1.00 0.59 H new ATOM 589 N GLN A 35 -4.685 9.429 -6.914 1.00 0.61 N ATOM 590 CA GLN A 35 -5.348 9.917 -8.129 1.00 0.65 C ATOM 591 C GLN A 35 -5.244 11.444 -8.268 1.00 0.64 C ATOM 592 O GLN A 35 -5.087 11.950 -9.377 1.00 0.65 O ATOM 593 CB GLN A 35 -6.816 9.467 -8.100 1.00 0.77 C ATOM 594 CG GLN A 35 -7.000 7.949 -8.273 1.00 1.02 C ATOM 595 CD GLN A 35 -7.134 7.517 -9.733 1.00 1.99 C ATOM 596 OE1 GLN A 35 -8.137 7.769 -10.390 1.00 1.96 O ATOM 597 NE2 GLN A 35 -6.144 6.862 -10.310 1.00 3.56 N ATOM 0 H GLN A 35 -5.338 9.019 -6.247 1.00 0.61 H new ATOM 0 HA GLN A 35 -4.846 9.494 -8.999 1.00 0.65 H new ATOM 0 HB2 GLN A 35 -7.262 9.773 -7.154 1.00 0.77 H new ATOM 0 HB3 GLN A 35 -7.361 9.983 -8.891 1.00 0.77 H new ATOM 0 HG2 GLN A 35 -6.150 7.434 -7.826 1.00 1.02 H new ATOM 0 HG3 GLN A 35 -7.888 7.633 -7.725 1.00 1.02 H new ATOM 0 HE21 GLN A 35 -5.300 6.643 -9.780 1.00 3.56 H new ATOM 0 HE22 GLN A 35 -6.222 6.575 -11.286 1.00 3.56 H new ATOM 606 N GLN A 36 -5.284 12.178 -7.149 1.00 0.64 N ATOM 607 CA GLN A 36 -5.069 13.628 -7.068 1.00 0.71 C ATOM 608 C GLN A 36 -3.714 14.072 -7.646 1.00 0.67 C ATOM 609 O GLN A 36 -3.586 15.214 -8.094 1.00 0.74 O ATOM 610 CB GLN A 36 -5.205 14.051 -5.592 1.00 0.81 C ATOM 611 CG GLN A 36 -6.666 14.287 -5.173 1.00 1.08 C ATOM 612 CD GLN A 36 -7.215 15.620 -5.687 1.00 1.40 C ATOM 613 OE1 GLN A 36 -7.009 16.676 -5.098 1.00 1.87 O ATOM 614 NE2 GLN A 36 -7.915 15.642 -6.805 1.00 2.15 N ATOM 0 H GLN A 36 -5.475 11.761 -6.238 1.00 0.64 H new ATOM 0 HA GLN A 36 -5.822 14.123 -7.682 1.00 0.71 H new ATOM 0 HB2 GLN A 36 -4.769 13.280 -4.956 1.00 0.81 H new ATOM 0 HB3 GLN A 36 -4.632 14.963 -5.426 1.00 0.81 H new ATOM 0 HG2 GLN A 36 -7.285 13.473 -5.551 1.00 1.08 H new ATOM 0 HG3 GLN A 36 -6.737 14.264 -4.086 1.00 1.08 H new ATOM 0 HE21 GLN A 36 -8.097 14.775 -7.310 1.00 2.15 H new ATOM 0 HE22 GLN A 36 -8.274 16.526 -7.165 1.00 2.15 H new ATOM 623 N LEU A 37 -2.714 13.183 -7.657 1.00 0.63 N ATOM 624 CA LEU A 37 -1.379 13.426 -8.208 1.00 0.66 C ATOM 625 C LEU A 37 -1.213 12.867 -9.640 1.00 0.64 C ATOM 626 O LEU A 37 -0.137 13.003 -10.225 1.00 0.73 O ATOM 627 CB LEU A 37 -0.341 12.826 -7.236 1.00 0.73 C ATOM 628 CG LEU A 37 -0.493 13.243 -5.756 1.00 0.76 C ATOM 629 CD1 LEU A 37 0.568 12.534 -4.904 1.00 1.24 C ATOM 630 CD2 LEU A 37 -0.404 14.761 -5.551 1.00 1.02 C ATOM 0 H LEU A 37 -2.817 12.245 -7.270 1.00 0.63 H new ATOM 0 HA LEU A 37 -1.225 14.501 -8.302 1.00 0.66 H new ATOM 0 HB2 LEU A 37 -0.399 11.739 -7.296 1.00 0.73 H new ATOM 0 HB3 LEU A 37 0.655 13.111 -7.575 1.00 0.73 H new ATOM 0 HG LEU A 37 -1.491 12.940 -5.439 1.00 0.76 H new ATOM 0 HD11 LEU A 37 0.456 12.832 -3.861 1.00 1.24 H new ATOM 0 HD12 LEU A 37 0.441 11.455 -4.989 1.00 1.24 H new ATOM 0 HD13 LEU A 37 1.562 12.811 -5.256 1.00 1.24 H new ATOM 0 HD21 LEU A 37 -0.518 14.992 -4.492 1.00 1.02 H new ATOM 0 HD22 LEU A 37 0.565 15.119 -5.899 1.00 1.02 H new ATOM 0 HD23 LEU A 37 -1.196 15.252 -6.117 1.00 1.02 H new ATOM 642 N GLU A 38 -2.260 12.245 -10.201 1.00 0.58 N ATOM 643 CA GLU A 38 -2.306 11.623 -11.535 1.00 0.58 C ATOM 644 C GLU A 38 -1.208 10.555 -11.740 1.00 0.61 C ATOM 645 O GLU A 38 -0.567 10.489 -12.791 1.00 0.77 O ATOM 646 CB GLU A 38 -2.340 12.682 -12.660 1.00 0.72 C ATOM 647 CG GLU A 38 -3.622 13.523 -12.628 1.00 1.57 C ATOM 648 CD GLU A 38 -3.719 14.430 -13.865 1.00 1.77 C ATOM 649 OE1 GLU A 38 -4.121 13.943 -14.949 1.00 1.94 O ATOM 650 OE2 GLU A 38 -3.405 15.639 -13.764 1.00 2.73 O ATOM 0 H GLU A 38 -3.149 12.157 -9.709 1.00 0.58 H new ATOM 0 HA GLU A 38 -3.248 11.078 -11.594 1.00 0.58 H new ATOM 0 HB2 GLU A 38 -1.475 13.338 -12.565 1.00 0.72 H new ATOM 0 HB3 GLU A 38 -2.258 12.185 -13.627 1.00 0.72 H new ATOM 0 HG2 GLU A 38 -4.491 12.866 -12.586 1.00 1.57 H new ATOM 0 HG3 GLU A 38 -3.639 14.132 -11.724 1.00 1.57 H new ATOM 657 N TYR A 39 -0.966 9.715 -10.724 1.00 0.58 N ATOM 658 CA TYR A 39 0.109 8.716 -10.745 1.00 0.65 C ATOM 659 C TYR A 39 -0.077 7.618 -11.809 1.00 0.59 C ATOM 660 O TYR A 39 0.743 7.533 -12.723 1.00 0.64 O ATOM 661 CB TYR A 39 0.253 8.100 -9.345 1.00 0.73 C ATOM 662 CG TYR A 39 1.129 8.829 -8.342 1.00 0.79 C ATOM 663 CD1 TYR A 39 1.569 10.154 -8.550 1.00 2.25 C ATOM 664 CD2 TYR A 39 1.529 8.138 -7.181 1.00 1.83 C ATOM 665 CE1 TYR A 39 2.394 10.781 -7.602 1.00 2.34 C ATOM 666 CE2 TYR A 39 2.339 8.767 -6.217 1.00 1.91 C ATOM 667 CZ TYR A 39 2.763 10.098 -6.427 1.00 1.16 C ATOM 668 OH TYR A 39 3.535 10.727 -5.508 1.00 1.43 O ATOM 0 H TYR A 39 -1.512 9.710 -9.863 1.00 0.58 H new ATOM 0 HA TYR A 39 1.023 9.238 -11.028 1.00 0.65 H new ATOM 0 HB2 TYR A 39 -0.744 8.007 -8.915 1.00 0.73 H new ATOM 0 HB3 TYR A 39 0.645 7.090 -9.461 1.00 0.73 H new ATOM 0 HD1 TYR A 39 1.270 10.687 -9.441 1.00 2.25 H new ATOM 0 HD2 TYR A 39 1.211 7.117 -7.030 1.00 1.83 H new ATOM 0 HE1 TYR A 39 2.746 11.788 -7.774 1.00 2.34 H new ATOM 0 HE2 TYR A 39 2.634 8.236 -5.324 1.00 1.91 H new ATOM 0 HH TYR A 39 3.128 10.636 -4.621 1.00 1.43 H new ATOM 678 N ASP A 40 -1.115 6.783 -11.665 1.00 0.53 N ATOM 679 CA ASP A 40 -1.431 5.556 -12.426 1.00 0.51 C ATOM 680 C ASP A 40 -2.546 4.774 -11.696 1.00 0.49 C ATOM 681 O ASP A 40 -3.727 5.081 -11.862 1.00 0.56 O ATOM 682 CB ASP A 40 -0.176 4.697 -12.707 1.00 0.57 C ATOM 683 CG ASP A 40 -0.483 3.374 -13.415 1.00 0.76 C ATOM 684 OD1 ASP A 40 -1.144 3.405 -14.480 1.00 1.71 O ATOM 685 OD2 ASP A 40 -0.014 2.330 -12.905 1.00 1.66 O ATOM 0 H ASP A 40 -1.821 6.961 -10.950 1.00 0.53 H new ATOM 0 HA ASP A 40 -1.802 5.839 -13.411 1.00 0.51 H new ATOM 0 HB2 ASP A 40 0.519 5.273 -13.318 1.00 0.57 H new ATOM 0 HB3 ASP A 40 0.328 4.486 -11.764 1.00 0.57 H new ATOM 690 N TYR A 41 -2.173 3.805 -10.852 1.00 0.61 N ATOM 691 CA TYR A 41 -3.062 2.931 -10.073 1.00 0.59 C ATOM 692 C TYR A 41 -2.573 2.757 -8.614 1.00 0.57 C ATOM 693 O TYR A 41 -1.442 3.100 -8.266 1.00 0.54 O ATOM 694 CB TYR A 41 -3.151 1.552 -10.749 1.00 0.59 C ATOM 695 CG TYR A 41 -3.716 1.468 -12.160 1.00 0.66 C ATOM 696 CD1 TYR A 41 -5.043 1.864 -12.428 1.00 1.26 C ATOM 697 CD2 TYR A 41 -2.957 0.868 -13.187 1.00 1.79 C ATOM 698 CE1 TYR A 41 -5.592 1.691 -13.715 1.00 1.23 C ATOM 699 CE2 TYR A 41 -3.493 0.706 -14.478 1.00 1.91 C ATOM 700 CZ TYR A 41 -4.813 1.132 -14.750 1.00 0.90 C ATOM 701 OH TYR A 41 -5.350 0.967 -15.993 1.00 1.03 O ATOM 0 H TYR A 41 -1.189 3.597 -10.684 1.00 0.61 H new ATOM 0 HA TYR A 41 -4.044 3.403 -10.042 1.00 0.59 H new ATOM 0 HB2 TYR A 41 -2.147 1.127 -10.768 1.00 0.59 H new ATOM 0 HB3 TYR A 41 -3.757 0.909 -10.111 1.00 0.59 H new ATOM 0 HD1 TYR A 41 -5.642 2.302 -11.643 1.00 1.26 H new ATOM 0 HD2 TYR A 41 -1.953 0.529 -12.980 1.00 1.79 H new ATOM 0 HE1 TYR A 41 -6.612 1.987 -13.909 1.00 1.23 H new ATOM 0 HE2 TYR A 41 -2.897 0.257 -15.259 1.00 1.91 H new ATOM 0 HH TYR A 41 -4.680 0.570 -16.589 1.00 1.03 H new ATOM 711 N TYR A 42 -3.429 2.207 -7.751 1.00 0.59 N ATOM 712 CA TYR A 42 -3.186 1.963 -6.321 1.00 0.56 C ATOM 713 C TYR A 42 -3.482 0.507 -5.922 1.00 0.46 C ATOM 714 O TYR A 42 -4.237 -0.186 -6.603 1.00 0.49 O ATOM 715 CB TYR A 42 -4.098 2.895 -5.510 1.00 0.63 C ATOM 716 CG TYR A 42 -5.572 2.600 -5.720 1.00 1.53 C ATOM 717 CD1 TYR A 42 -6.266 3.224 -6.774 1.00 3.24 C ATOM 718 CD2 TYR A 42 -6.234 1.665 -4.898 1.00 2.38 C ATOM 719 CE1 TYR A 42 -7.629 2.949 -6.980 1.00 4.16 C ATOM 720 CE2 TYR A 42 -7.584 1.346 -5.134 1.00 3.25 C ATOM 721 CZ TYR A 42 -8.288 1.993 -6.173 1.00 3.75 C ATOM 722 OH TYR A 42 -9.595 1.684 -6.399 1.00 4.85 O ATOM 0 H TYR A 42 -4.358 1.903 -8.041 1.00 0.59 H new ATOM 0 HA TYR A 42 -2.133 2.155 -6.117 1.00 0.56 H new ATOM 0 HB2 TYR A 42 -3.860 2.799 -4.451 1.00 0.63 H new ATOM 0 HB3 TYR A 42 -3.895 3.929 -5.790 1.00 0.63 H new ATOM 0 HD1 TYR A 42 -5.751 3.915 -7.425 1.00 3.24 H new ATOM 0 HD2 TYR A 42 -5.703 1.192 -4.085 1.00 2.38 H new ATOM 0 HE1 TYR A 42 -8.173 3.468 -7.755 1.00 4.16 H new ATOM 0 HE2 TYR A 42 -8.081 0.608 -4.522 1.00 3.25 H new ATOM 0 HH TYR A 42 -10.146 2.485 -6.277 1.00 4.85 H new ATOM 732 N SER A 43 -2.974 0.063 -4.774 1.00 0.41 N ATOM 733 CA SER A 43 -3.372 -1.198 -4.137 1.00 0.40 C ATOM 734 C SER A 43 -3.467 -1.092 -2.603 1.00 0.52 C ATOM 735 O SER A 43 -2.706 -0.363 -1.955 1.00 0.57 O ATOM 736 CB SER A 43 -2.391 -2.317 -4.519 1.00 0.44 C ATOM 737 OG SER A 43 -1.090 -2.041 -4.026 1.00 1.47 O ATOM 0 H SER A 43 -2.264 0.574 -4.250 1.00 0.41 H new ATOM 0 HA SER A 43 -4.370 -1.433 -4.506 1.00 0.40 H new ATOM 0 HB2 SER A 43 -2.743 -3.267 -4.117 1.00 0.44 H new ATOM 0 HB3 SER A 43 -2.358 -2.423 -5.603 1.00 0.44 H new ATOM 0 HG SER A 43 -0.864 -1.105 -4.206 1.00 1.47 H new ATOM 743 N LEU A 44 -4.378 -1.883 -2.028 1.00 0.60 N ATOM 744 CA LEU A 44 -4.473 -2.210 -0.603 1.00 0.61 C ATOM 745 C LEU A 44 -4.338 -3.732 -0.474 1.00 0.56 C ATOM 746 O LEU A 44 -4.912 -4.467 -1.280 1.00 0.58 O ATOM 747 CB LEU A 44 -5.846 -1.762 -0.063 1.00 0.75 C ATOM 748 CG LEU A 44 -5.955 -1.847 1.480 1.00 0.70 C ATOM 749 CD1 LEU A 44 -5.520 -0.538 2.139 1.00 1.52 C ATOM 750 CD2 LEU A 44 -7.382 -2.168 1.915 1.00 1.43 C ATOM 0 H LEU A 44 -5.109 -2.337 -2.575 1.00 0.60 H new ATOM 0 HA LEU A 44 -3.693 -1.704 -0.034 1.00 0.61 H new ATOM 0 HB2 LEU A 44 -6.035 -0.736 -0.378 1.00 0.75 H new ATOM 0 HB3 LEU A 44 -6.624 -2.381 -0.510 1.00 0.75 H new ATOM 0 HG LEU A 44 -5.291 -2.649 1.800 1.00 0.70 H new ATOM 0 HD11 LEU A 44 -5.608 -0.629 3.222 1.00 1.52 H new ATOM 0 HD12 LEU A 44 -4.484 -0.325 1.876 1.00 1.52 H new ATOM 0 HD13 LEU A 44 -6.158 0.274 1.790 1.00 1.52 H new ATOM 0 HD21 LEU A 44 -7.428 -2.221 3.003 1.00 1.43 H new ATOM 0 HD22 LEU A 44 -8.055 -1.387 1.562 1.00 1.43 H new ATOM 0 HD23 LEU A 44 -7.685 -3.126 1.492 1.00 1.43 H new ATOM 762 N CYS A 45 -3.636 -4.210 0.551 1.00 0.55 N ATOM 763 CA CYS A 45 -3.600 -5.618 0.941 1.00 0.52 C ATOM 764 C CYS A 45 -3.741 -5.736 2.469 1.00 0.48 C ATOM 765 O CYS A 45 -3.135 -4.962 3.212 1.00 0.51 O ATOM 766 CB CYS A 45 -2.305 -6.230 0.393 1.00 0.65 C ATOM 767 SG CYS A 45 -2.315 -8.025 0.635 1.00 1.14 S ATOM 0 H CYS A 45 -3.062 -3.614 1.148 1.00 0.55 H new ATOM 0 HA CYS A 45 -4.435 -6.177 0.518 1.00 0.52 H new ATOM 0 HB2 CYS A 45 -2.204 -5.999 -0.667 1.00 0.65 H new ATOM 0 HB3 CYS A 45 -1.444 -5.792 0.898 1.00 0.65 H new ATOM 0 HG CYS A 45 -1.214 -8.532 0.165 1.00 1.14 H new ATOM 773 N VAL A 46 -4.551 -6.683 2.938 1.00 0.48 N ATOM 774 CA VAL A 46 -4.897 -6.882 4.358 1.00 0.50 C ATOM 775 C VAL A 46 -4.620 -8.332 4.760 1.00 0.55 C ATOM 776 O VAL A 46 -4.740 -9.227 3.923 1.00 0.63 O ATOM 777 CB VAL A 46 -6.376 -6.489 4.635 1.00 0.53 C ATOM 778 CG1 VAL A 46 -7.375 -7.657 4.609 1.00 1.86 C ATOM 779 CG2 VAL A 46 -6.490 -5.766 5.987 1.00 1.67 C ATOM 0 H VAL A 46 -5.004 -7.360 2.325 1.00 0.48 H new ATOM 0 HA VAL A 46 -4.272 -6.228 4.967 1.00 0.50 H new ATOM 0 HB VAL A 46 -6.650 -5.834 3.808 1.00 0.53 H new ATOM 0 HG11 VAL A 46 -8.378 -7.282 4.813 1.00 1.86 H new ATOM 0 HG12 VAL A 46 -7.357 -8.130 3.627 1.00 1.86 H new ATOM 0 HG13 VAL A 46 -7.099 -8.388 5.369 1.00 1.86 H new ATOM 0 HG21 VAL A 46 -7.530 -5.496 6.169 1.00 1.67 H new ATOM 0 HG22 VAL A 46 -6.142 -6.425 6.782 1.00 1.67 H new ATOM 0 HG23 VAL A 46 -5.879 -4.864 5.970 1.00 1.67 H new ATOM 789 N ARG A 47 -4.267 -8.564 6.028 1.00 0.59 N ATOM 790 CA ARG A 47 -3.860 -9.878 6.532 1.00 0.65 C ATOM 791 C ARG A 47 -4.167 -10.008 8.028 1.00 0.71 C ATOM 792 O ARG A 47 -3.699 -9.216 8.847 1.00 0.78 O ATOM 793 CB ARG A 47 -2.367 -10.030 6.207 1.00 0.82 C ATOM 794 CG ARG A 47 -1.697 -11.341 6.639 1.00 1.41 C ATOM 795 CD ARG A 47 -0.293 -11.336 6.022 1.00 1.18 C ATOM 796 NE ARG A 47 0.534 -12.482 6.431 1.00 2.38 N ATOM 797 CZ ARG A 47 1.760 -12.720 5.976 1.00 2.65 C ATOM 798 NH1 ARG A 47 2.308 -11.953 5.056 1.00 2.33 N ATOM 799 NH2 ARG A 47 2.457 -13.732 6.443 1.00 3.93 N ATOM 0 H ARG A 47 -4.256 -7.835 6.742 1.00 0.59 H new ATOM 0 HA ARG A 47 -4.419 -10.684 6.057 1.00 0.65 H new ATOM 0 HB2 ARG A 47 -2.241 -9.922 5.130 1.00 0.82 H new ATOM 0 HB3 ARG A 47 -1.831 -9.204 6.675 1.00 0.82 H new ATOM 0 HG2 ARG A 47 -1.643 -11.409 7.726 1.00 1.41 H new ATOM 0 HG3 ARG A 47 -2.270 -12.202 6.293 1.00 1.41 H new ATOM 0 HD2 ARG A 47 -0.383 -11.333 4.936 1.00 1.18 H new ATOM 0 HD3 ARG A 47 0.215 -10.413 6.303 1.00 1.18 H new ATOM 0 HE ARG A 47 0.141 -13.136 7.108 1.00 2.38 H new ATOM 0 HH11 ARG A 47 1.790 -11.159 4.679 1.00 2.33 H new ATOM 0 HH12 ARG A 47 3.250 -12.153 4.720 1.00 2.33 H new ATOM 0 HH21 ARG A 47 2.057 -14.340 7.158 1.00 3.93 H new ATOM 0 HH22 ARG A 47 3.397 -13.910 6.090 1.00 3.93 H new ATOM 813 N HIS A 48 -4.951 -11.017 8.402 1.00 0.77 N ATOM 814 CA HIS A 48 -5.414 -11.213 9.782 1.00 0.88 C ATOM 815 C HIS A 48 -5.083 -12.620 10.336 1.00 0.91 C ATOM 816 O HIS A 48 -5.658 -13.616 9.880 1.00 0.93 O ATOM 817 CB HIS A 48 -6.909 -10.876 9.905 1.00 1.02 C ATOM 818 CG HIS A 48 -7.875 -11.299 8.820 1.00 2.33 C ATOM 819 ND1 HIS A 48 -9.077 -10.674 8.592 1.00 3.31 N ATOM 820 CD2 HIS A 48 -7.813 -12.362 7.955 1.00 3.54 C ATOM 821 CE1 HIS A 48 -9.727 -11.333 7.622 1.00 4.71 C ATOM 822 NE2 HIS A 48 -8.989 -12.371 7.190 1.00 4.94 N ATOM 0 H HIS A 48 -5.288 -11.729 7.754 1.00 0.77 H new ATOM 0 HA HIS A 48 -4.859 -10.516 10.410 1.00 0.88 H new ATOM 0 HB2 HIS A 48 -7.263 -11.310 10.840 1.00 1.02 H new ATOM 0 HB3 HIS A 48 -6.989 -9.794 10.006 1.00 1.02 H new ATOM 0 HD1 HIS A 48 -9.418 -9.846 9.080 1.00 3.31 H new ATOM 0 HD2 HIS A 48 -7.000 -13.069 7.877 1.00 3.54 H new ATOM 0 HE1 HIS A 48 -10.703 -11.068 7.242 1.00 4.71 H new ATOM 830 N PRO A 49 -4.181 -12.735 11.334 1.00 1.01 N ATOM 831 CA PRO A 49 -3.756 -14.023 11.872 1.00 1.12 C ATOM 832 C PRO A 49 -4.774 -14.534 12.909 1.00 1.17 C ATOM 833 O PRO A 49 -4.515 -14.543 14.113 1.00 1.38 O ATOM 834 CB PRO A 49 -2.351 -13.760 12.432 1.00 1.27 C ATOM 835 CG PRO A 49 -2.460 -12.329 12.954 1.00 1.27 C ATOM 836 CD PRO A 49 -3.394 -11.663 11.944 1.00 1.11 C ATOM 0 HA PRO A 49 -3.715 -14.822 11.132 1.00 1.12 H new ATOM 0 HB2 PRO A 49 -2.093 -14.462 13.225 1.00 1.27 H new ATOM 0 HB3 PRO A 49 -1.584 -13.853 11.663 1.00 1.27 H new ATOM 0 HG2 PRO A 49 -2.870 -12.298 13.964 1.00 1.27 H new ATOM 0 HG3 PRO A 49 -1.488 -11.837 12.989 1.00 1.27 H new ATOM 0 HD2 PRO A 49 -4.042 -10.938 12.435 1.00 1.11 H new ATOM 0 HD3 PRO A 49 -2.825 -11.122 11.188 1.00 1.11 H new ATOM 844 N VAL A 50 -5.954 -14.955 12.438 1.00 1.17 N ATOM 845 CA VAL A 50 -7.047 -15.465 13.294 1.00 1.21 C ATOM 846 C VAL A 50 -6.632 -16.800 13.951 1.00 1.32 C ATOM 847 O VAL A 50 -6.095 -17.663 13.251 1.00 1.37 O ATOM 848 CB VAL A 50 -8.353 -15.692 12.494 1.00 1.17 C ATOM 849 CG1 VAL A 50 -9.527 -16.147 13.382 1.00 1.22 C ATOM 850 CG2 VAL A 50 -8.820 -14.440 11.741 1.00 1.16 C ATOM 0 H VAL A 50 -6.185 -14.954 11.445 1.00 1.17 H new ATOM 0 HA VAL A 50 -7.234 -14.708 14.056 1.00 1.21 H new ATOM 0 HB VAL A 50 -8.091 -16.478 11.785 1.00 1.17 H new ATOM 0 HG11 VAL A 50 -10.415 -16.290 12.766 1.00 1.22 H new ATOM 0 HG12 VAL A 50 -9.270 -17.086 13.872 1.00 1.22 H new ATOM 0 HG13 VAL A 50 -9.728 -15.387 14.137 1.00 1.22 H new ATOM 0 HG21 VAL A 50 -9.740 -14.663 11.200 1.00 1.16 H new ATOM 0 HG22 VAL A 50 -9.004 -13.635 12.452 1.00 1.16 H new ATOM 0 HG23 VAL A 50 -8.049 -14.131 11.035 1.00 1.16 H new ATOM 860 N PRO A 51 -6.881 -17.008 15.263 1.00 1.42 N ATOM 861 CA PRO A 51 -6.516 -18.244 15.957 1.00 1.55 C ATOM 862 C PRO A 51 -7.565 -19.363 15.827 1.00 1.53 C ATOM 863 O PRO A 51 -7.214 -20.540 15.908 1.00 1.65 O ATOM 864 CB PRO A 51 -6.306 -17.822 17.414 1.00 1.69 C ATOM 865 CG PRO A 51 -7.248 -16.635 17.602 1.00 1.62 C ATOM 866 CD PRO A 51 -7.344 -16.003 16.212 1.00 1.46 C ATOM 0 HA PRO A 51 -5.623 -18.686 15.515 1.00 1.55 H new ATOM 0 HB2 PRO A 51 -6.546 -18.633 18.102 1.00 1.69 H new ATOM 0 HB3 PRO A 51 -5.270 -17.541 17.601 1.00 1.69 H new ATOM 0 HG2 PRO A 51 -8.226 -16.956 17.961 1.00 1.62 H new ATOM 0 HG3 PRO A 51 -6.856 -15.929 18.334 1.00 1.62 H new ATOM 0 HD2 PRO A 51 -8.369 -15.706 15.992 1.00 1.46 H new ATOM 0 HD3 PRO A 51 -6.732 -15.103 16.153 1.00 1.46 H new ATOM 874 N PHE A 52 -8.838 -19.014 15.609 1.00 1.44 N ATOM 875 CA PHE A 52 -9.965 -19.952 15.469 1.00 1.49 C ATOM 876 C PHE A 52 -10.133 -20.549 14.058 1.00 1.50 C ATOM 877 O PHE A 52 -10.863 -21.533 13.901 1.00 1.68 O ATOM 878 CB PHE A 52 -11.261 -19.233 15.882 1.00 1.48 C ATOM 879 CG PHE A 52 -11.435 -19.090 17.380 1.00 1.55 C ATOM 880 CD1 PHE A 52 -10.907 -17.974 18.054 1.00 2.12 C ATOM 881 CD2 PHE A 52 -12.124 -20.083 18.103 1.00 2.44 C ATOM 882 CE1 PHE A 52 -11.068 -17.850 19.446 1.00 2.18 C ATOM 883 CE2 PHE A 52 -12.289 -19.957 19.494 1.00 2.59 C ATOM 884 CZ PHE A 52 -11.761 -18.841 20.165 1.00 1.83 C ATOM 0 H PHE A 52 -9.125 -18.039 15.522 1.00 1.44 H new ATOM 0 HA PHE A 52 -9.745 -20.798 16.120 1.00 1.49 H new ATOM 0 HB2 PHE A 52 -11.275 -18.242 15.429 1.00 1.48 H new ATOM 0 HB3 PHE A 52 -12.113 -19.780 15.478 1.00 1.48 H new ATOM 0 HD1 PHE A 52 -10.377 -17.211 17.502 1.00 2.12 H new ATOM 0 HD2 PHE A 52 -12.526 -20.943 17.588 1.00 2.44 H new ATOM 0 HE1 PHE A 52 -10.660 -16.994 19.963 1.00 2.18 H new ATOM 0 HE2 PHE A 52 -12.821 -20.718 20.046 1.00 2.59 H new ATOM 0 HZ PHE A 52 -11.887 -18.744 21.233 1.00 1.83 H new ATOM 894 N THR A 53 -9.492 -19.964 13.038 1.00 1.35 N ATOM 895 CA THR A 53 -9.649 -20.332 11.618 1.00 1.35 C ATOM 896 C THR A 53 -8.314 -20.252 10.887 1.00 1.28 C ATOM 897 O THR A 53 -7.423 -19.521 11.321 1.00 1.30 O ATOM 898 CB THR A 53 -10.751 -19.469 10.971 1.00 1.35 C ATOM 899 OG1 THR A 53 -11.474 -20.309 10.102 1.00 1.72 O ATOM 900 CG2 THR A 53 -10.299 -18.253 10.165 1.00 1.21 C ATOM 0 H THR A 53 -8.831 -19.200 13.178 1.00 1.35 H new ATOM 0 HA THR A 53 -9.972 -21.370 11.542 1.00 1.35 H new ATOM 0 HB THR A 53 -11.321 -19.056 11.803 1.00 1.35 H new ATOM 0 HG1 THR A 53 -12.189 -19.796 9.670 1.00 1.72 H new ATOM 0 HG21 THR A 53 -11.172 -17.736 9.766 1.00 1.21 H new ATOM 0 HG22 THR A 53 -9.740 -17.576 10.811 1.00 1.21 H new ATOM 0 HG23 THR A 53 -9.662 -18.578 9.342 1.00 1.21 H new ATOM 908 N ARG A 54 -8.168 -20.959 9.761 1.00 1.35 N ATOM 909 CA ARG A 54 -6.974 -20.829 8.913 1.00 1.32 C ATOM 910 C ARG A 54 -6.922 -19.397 8.343 1.00 1.07 C ATOM 911 O ARG A 54 -7.899 -18.982 7.708 1.00 1.02 O ATOM 912 CB ARG A 54 -6.977 -21.854 7.769 1.00 1.54 C ATOM 913 CG ARG A 54 -6.753 -23.313 8.197 1.00 1.85 C ATOM 914 CD ARG A 54 -5.364 -23.534 8.813 1.00 2.34 C ATOM 915 NE ARG A 54 -5.037 -24.967 8.920 1.00 2.75 N ATOM 916 CZ ARG A 54 -3.871 -25.476 9.304 1.00 3.26 C ATOM 917 NH1 ARG A 54 -2.870 -24.712 9.695 1.00 3.64 N ATOM 918 NH2 ARG A 54 -3.691 -26.779 9.296 1.00 3.63 N ATOM 0 H ARG A 54 -8.858 -21.625 9.415 1.00 1.35 H new ATOM 0 HA ARG A 54 -6.091 -21.025 9.521 1.00 1.32 H new ATOM 0 HB2 ARG A 54 -7.931 -21.788 7.246 1.00 1.54 H new ATOM 0 HB3 ARG A 54 -6.202 -21.579 7.054 1.00 1.54 H new ATOM 0 HG2 ARG A 54 -7.518 -23.599 8.919 1.00 1.85 H new ATOM 0 HG3 ARG A 54 -6.872 -23.965 7.332 1.00 1.85 H new ATOM 0 HD2 ARG A 54 -4.612 -23.034 8.203 1.00 2.34 H new ATOM 0 HD3 ARG A 54 -5.328 -23.078 9.802 1.00 2.34 H new ATOM 0 HE ARG A 54 -5.774 -25.629 8.677 1.00 2.75 H new ATOM 0 HH11 ARG A 54 -2.978 -23.698 9.709 1.00 3.64 H new ATOM 0 HH12 ARG A 54 -1.988 -25.135 9.984 1.00 3.64 H new ATOM 0 HH21 ARG A 54 -4.445 -27.396 8.996 1.00 3.63 H new ATOM 0 HH22 ARG A 54 -2.797 -27.172 9.590 1.00 3.63 H new ATOM 932 N PRO A 55 -5.837 -18.635 8.576 1.00 1.15 N ATOM 933 CA PRO A 55 -5.803 -17.195 8.346 1.00 1.12 C ATOM 934 C PRO A 55 -5.741 -16.865 6.853 1.00 0.96 C ATOM 935 O PRO A 55 -5.427 -17.718 6.020 1.00 1.04 O ATOM 936 CB PRO A 55 -4.595 -16.685 9.130 1.00 1.57 C ATOM 937 CG PRO A 55 -3.645 -17.879 9.140 1.00 1.80 C ATOM 938 CD PRO A 55 -4.592 -19.079 9.180 1.00 1.55 C ATOM 0 HA PRO A 55 -6.713 -16.702 8.689 1.00 1.12 H new ATOM 0 HB2 PRO A 55 -4.143 -15.817 8.650 1.00 1.57 H new ATOM 0 HB3 PRO A 55 -4.871 -16.383 10.140 1.00 1.57 H new ATOM 0 HG2 PRO A 55 -3.011 -17.896 8.254 1.00 1.80 H new ATOM 0 HG3 PRO A 55 -2.983 -17.860 10.006 1.00 1.80 H new ATOM 0 HD2 PRO A 55 -4.173 -19.923 8.632 1.00 1.55 H new ATOM 0 HD3 PRO A 55 -4.754 -19.413 10.205 1.00 1.55 H new ATOM 946 N LYS A 56 -6.088 -15.620 6.519 1.00 0.86 N ATOM 947 CA LYS A 56 -6.420 -15.205 5.146 1.00 0.80 C ATOM 948 C LYS A 56 -5.809 -13.843 4.762 1.00 0.74 C ATOM 949 O LYS A 56 -5.386 -13.063 5.621 1.00 0.80 O ATOM 950 CB LYS A 56 -7.960 -15.172 4.975 1.00 0.97 C ATOM 951 CG LYS A 56 -8.704 -16.488 5.262 1.00 1.42 C ATOM 952 CD LYS A 56 -8.493 -17.566 4.185 1.00 2.26 C ATOM 953 CE LYS A 56 -8.884 -18.977 4.656 1.00 3.38 C ATOM 954 NZ LYS A 56 -10.252 -19.046 5.234 1.00 4.07 N ATOM 0 H LYS A 56 -6.148 -14.861 7.198 1.00 0.86 H new ATOM 0 HA LYS A 56 -5.982 -15.940 4.470 1.00 0.80 H new ATOM 0 HB2 LYS A 56 -8.361 -14.401 5.633 1.00 0.97 H new ATOM 0 HB3 LYS A 56 -8.185 -14.867 3.953 1.00 0.97 H new ATOM 0 HG2 LYS A 56 -8.374 -16.879 6.224 1.00 1.42 H new ATOM 0 HG3 LYS A 56 -9.770 -16.280 5.351 1.00 1.42 H new ATOM 0 HD2 LYS A 56 -9.079 -17.309 3.303 1.00 2.26 H new ATOM 0 HD3 LYS A 56 -7.446 -17.568 3.882 1.00 2.26 H new ATOM 0 HE2 LYS A 56 -8.818 -19.665 3.813 1.00 3.38 H new ATOM 0 HE3 LYS A 56 -8.165 -19.316 5.401 1.00 3.38 H new ATOM 0 HZ1 LYS A 56 -10.493 -20.037 5.438 1.00 4.07 H new ATOM 0 HZ2 LYS A 56 -10.285 -18.493 6.114 1.00 4.07 H new ATOM 0 HZ3 LYS A 56 -10.936 -18.656 4.555 1.00 4.07 H new ATOM 968 N VAL A 57 -5.793 -13.568 3.455 1.00 0.69 N ATOM 969 CA VAL A 57 -5.340 -12.317 2.828 1.00 0.63 C ATOM 970 C VAL A 57 -6.419 -11.830 1.852 1.00 0.59 C ATOM 971 O VAL A 57 -6.962 -12.630 1.089 1.00 0.62 O ATOM 972 CB VAL A 57 -3.995 -12.522 2.083 1.00 0.68 C ATOM 973 CG1 VAL A 57 -3.550 -11.289 1.278 1.00 1.73 C ATOM 974 CG2 VAL A 57 -2.866 -12.882 3.065 1.00 1.68 C ATOM 0 H VAL A 57 -6.113 -14.248 2.765 1.00 0.69 H new ATOM 0 HA VAL A 57 -5.178 -11.569 3.604 1.00 0.63 H new ATOM 0 HB VAL A 57 -4.177 -13.341 1.387 1.00 0.68 H new ATOM 0 HG11 VAL A 57 -2.603 -11.501 0.782 1.00 1.73 H new ATOM 0 HG12 VAL A 57 -4.306 -11.051 0.530 1.00 1.73 H new ATOM 0 HG13 VAL A 57 -3.426 -10.441 1.951 1.00 1.73 H new ATOM 0 HG21 VAL A 57 -1.935 -13.020 2.515 1.00 1.68 H new ATOM 0 HG22 VAL A 57 -2.743 -12.077 3.789 1.00 1.68 H new ATOM 0 HG23 VAL A 57 -3.119 -13.805 3.587 1.00 1.68 H new ATOM 984 N ALA A 58 -6.698 -10.523 1.858 1.00 0.57 N ATOM 985 CA ALA A 58 -7.520 -9.847 0.847 1.00 0.56 C ATOM 986 C ALA A 58 -6.749 -8.678 0.217 1.00 0.52 C ATOM 987 O ALA A 58 -5.937 -8.034 0.889 1.00 0.51 O ATOM 988 CB ALA A 58 -8.836 -9.362 1.474 1.00 0.69 C ATOM 0 H ALA A 58 -6.352 -9.891 2.580 1.00 0.57 H new ATOM 0 HA ALA A 58 -7.757 -10.558 0.055 1.00 0.56 H new ATOM 0 HB1 ALA A 58 -9.438 -8.862 0.715 1.00 0.69 H new ATOM 0 HB2 ALA A 58 -9.387 -10.215 1.870 1.00 0.69 H new ATOM 0 HB3 ALA A 58 -8.618 -8.664 2.282 1.00 0.69 H new ATOM 994 N PHE A 59 -7.038 -8.393 -1.055 1.00 0.57 N ATOM 995 CA PHE A 59 -6.405 -7.339 -1.847 1.00 0.54 C ATOM 996 C PHE A 59 -7.432 -6.604 -2.728 1.00 0.54 C ATOM 997 O PHE A 59 -8.332 -7.221 -3.300 1.00 0.59 O ATOM 998 CB PHE A 59 -5.221 -7.912 -2.660 1.00 0.51 C ATOM 999 CG PHE A 59 -5.393 -9.320 -3.223 1.00 0.45 C ATOM 1000 CD1 PHE A 59 -6.297 -9.573 -4.273 1.00 1.88 C ATOM 1001 CD2 PHE A 59 -4.641 -10.390 -2.693 1.00 1.77 C ATOM 1002 CE1 PHE A 59 -6.478 -10.880 -4.759 1.00 1.79 C ATOM 1003 CE2 PHE A 59 -4.812 -11.695 -3.186 1.00 1.94 C ATOM 1004 CZ PHE A 59 -5.737 -11.944 -4.214 1.00 0.70 C ATOM 0 H PHE A 59 -7.745 -8.909 -1.579 1.00 0.57 H new ATOM 0 HA PHE A 59 -5.997 -6.590 -1.168 1.00 0.54 H new ATOM 0 HB2 PHE A 59 -5.020 -7.236 -3.491 1.00 0.51 H new ATOM 0 HB3 PHE A 59 -4.337 -7.906 -2.023 1.00 0.51 H new ATOM 0 HD1 PHE A 59 -6.855 -8.757 -4.708 1.00 1.88 H new ATOM 0 HD2 PHE A 59 -3.929 -10.205 -1.903 1.00 1.77 H new ATOM 0 HE1 PHE A 59 -7.187 -11.067 -5.552 1.00 1.79 H new ATOM 0 HE2 PHE A 59 -4.232 -12.507 -2.774 1.00 1.94 H new ATOM 0 HZ PHE A 59 -5.878 -12.949 -4.584 1.00 0.70 H new ATOM 1014 N TYR A 60 -7.284 -5.279 -2.838 1.00 0.53 N ATOM 1015 CA TYR A 60 -8.164 -4.378 -3.604 1.00 0.59 C ATOM 1016 C TYR A 60 -7.338 -3.383 -4.440 1.00 0.57 C ATOM 1017 O TYR A 60 -6.305 -2.891 -3.974 1.00 0.55 O ATOM 1018 CB TYR A 60 -9.100 -3.606 -2.656 1.00 0.70 C ATOM 1019 CG TYR A 60 -9.881 -4.467 -1.678 1.00 0.71 C ATOM 1020 CD1 TYR A 60 -10.680 -5.527 -2.146 1.00 1.94 C ATOM 1021 CD2 TYR A 60 -9.783 -4.227 -0.294 1.00 1.48 C ATOM 1022 CE1 TYR A 60 -11.338 -6.376 -1.237 1.00 1.92 C ATOM 1023 CE2 TYR A 60 -10.446 -5.064 0.624 1.00 1.53 C ATOM 1024 CZ TYR A 60 -11.219 -6.152 0.153 1.00 0.73 C ATOM 1025 OH TYR A 60 -11.849 -6.982 1.031 1.00 0.76 O ATOM 0 H TYR A 60 -6.520 -4.782 -2.380 1.00 0.53 H new ATOM 0 HA TYR A 60 -8.763 -4.989 -4.279 1.00 0.59 H new ATOM 0 HB2 TYR A 60 -8.507 -2.888 -2.090 1.00 0.70 H new ATOM 0 HB3 TYR A 60 -9.807 -3.033 -3.256 1.00 0.70 H new ATOM 0 HD1 TYR A 60 -10.789 -5.690 -3.208 1.00 1.94 H new ATOM 0 HD2 TYR A 60 -9.195 -3.395 0.066 1.00 1.48 H new ATOM 0 HE1 TYR A 60 -11.934 -7.199 -1.602 1.00 1.92 H new ATOM 0 HE2 TYR A 60 -10.365 -4.876 1.684 1.00 1.53 H new ATOM 0 HH TYR A 60 -11.664 -6.689 1.948 1.00 0.76 H new ATOM 1035 N THR A 61 -7.784 -3.082 -5.668 1.00 0.57 N ATOM 1036 CA THR A 61 -7.029 -2.301 -6.667 1.00 0.55 C ATOM 1037 C THR A 61 -7.886 -1.919 -7.876 1.00 0.62 C ATOM 1038 O THR A 61 -8.843 -2.615 -8.215 1.00 0.69 O ATOM 1039 CB THR A 61 -5.748 -3.050 -7.076 1.00 0.51 C ATOM 1040 OG1 THR A 61 -5.074 -2.284 -8.035 1.00 0.81 O ATOM 1041 CG2 THR A 61 -5.978 -4.440 -7.673 1.00 0.68 C ATOM 0 H THR A 61 -8.700 -3.380 -6.005 1.00 0.57 H new ATOM 0 HA THR A 61 -6.735 -1.360 -6.202 1.00 0.55 H new ATOM 0 HB THR A 61 -5.179 -3.192 -6.157 1.00 0.51 H new ATOM 0 HG1 THR A 61 -4.473 -2.861 -8.551 1.00 0.81 H new ATOM 0 HG21 THR A 61 -5.019 -4.889 -7.930 1.00 0.68 H new ATOM 0 HG22 THR A 61 -6.489 -5.069 -6.944 1.00 0.68 H new ATOM 0 HG23 THR A 61 -6.590 -4.354 -8.571 1.00 0.68 H new ATOM 1049 N ASN A 62 -7.515 -0.817 -8.533 1.00 0.63 N ATOM 1050 CA ASN A 62 -8.060 -0.364 -9.820 1.00 0.72 C ATOM 1051 C ASN A 62 -7.270 -0.905 -11.037 1.00 0.64 C ATOM 1052 O ASN A 62 -7.555 -0.526 -12.174 1.00 0.69 O ATOM 1053 CB ASN A 62 -8.107 1.172 -9.798 1.00 0.88 C ATOM 1054 CG ASN A 62 -8.963 1.797 -10.899 1.00 1.75 C ATOM 1055 OD1 ASN A 62 -8.469 2.418 -11.831 1.00 3.05 O ATOM 1056 ND2 ASN A 62 -10.278 1.686 -10.796 1.00 2.47 N ATOM 0 H ASN A 62 -6.798 -0.189 -8.170 1.00 0.63 H new ATOM 0 HA ASN A 62 -9.065 -0.768 -9.943 1.00 0.72 H new ATOM 0 HB2 ASN A 62 -8.489 1.497 -8.830 1.00 0.88 H new ATOM 0 HB3 ASN A 62 -7.090 1.555 -9.885 1.00 0.88 H new ATOM 0 HD21 ASN A 62 -10.883 2.119 -11.494 1.00 2.47 H new ATOM 0 HD22 ASN A 62 -10.687 1.168 -10.018 1.00 2.47 H new ATOM 1063 N TYR A 63 -6.296 -1.805 -10.827 1.00 0.56 N ATOM 1064 CA TYR A 63 -5.506 -2.428 -11.899 1.00 0.54 C ATOM 1065 C TYR A 63 -6.392 -3.070 -12.995 1.00 0.54 C ATOM 1066 O TYR A 63 -7.489 -3.559 -12.686 1.00 0.55 O ATOM 1067 CB TYR A 63 -4.621 -3.538 -11.301 1.00 0.49 C ATOM 1068 CG TYR A 63 -3.447 -3.167 -10.412 1.00 0.47 C ATOM 1069 CD1 TYR A 63 -2.853 -1.892 -10.451 1.00 1.91 C ATOM 1070 CD2 TYR A 63 -2.963 -4.132 -9.507 1.00 1.91 C ATOM 1071 CE1 TYR A 63 -1.837 -1.555 -9.536 1.00 1.90 C ATOM 1072 CE2 TYR A 63 -1.955 -3.798 -8.585 1.00 1.92 C ATOM 1073 CZ TYR A 63 -1.390 -2.500 -8.591 1.00 0.47 C ATOM 1074 OH TYR A 63 -0.420 -2.144 -7.706 1.00 0.53 O ATOM 0 H TYR A 63 -6.032 -2.124 -9.895 1.00 0.56 H new ATOM 0 HA TYR A 63 -4.911 -1.637 -12.355 1.00 0.54 H new ATOM 0 HB2 TYR A 63 -5.270 -4.197 -10.725 1.00 0.49 H new ATOM 0 HB3 TYR A 63 -4.228 -4.124 -12.132 1.00 0.49 H new ATOM 0 HD1 TYR A 63 -3.177 -1.169 -11.185 1.00 1.91 H new ATOM 0 HD2 TYR A 63 -3.368 -5.133 -9.521 1.00 1.91 H new ATOM 0 HE1 TYR A 63 -1.399 -0.568 -9.559 1.00 1.90 H new ATOM 0 HE2 TYR A 63 -1.612 -4.533 -7.872 1.00 1.92 H new ATOM 0 HH TYR A 63 -0.320 -2.847 -7.030 1.00 0.53 H new ATOM 1084 N PRO A 64 -5.926 -3.104 -14.262 1.00 0.56 N ATOM 1085 CA PRO A 64 -6.674 -3.686 -15.367 1.00 0.58 C ATOM 1086 C PRO A 64 -6.854 -5.192 -15.147 1.00 0.55 C ATOM 1087 O PRO A 64 -5.964 -5.853 -14.610 1.00 0.52 O ATOM 1088 CB PRO A 64 -5.881 -3.375 -16.643 1.00 0.64 C ATOM 1089 CG PRO A 64 -4.464 -3.081 -16.155 1.00 0.64 C ATOM 1090 CD PRO A 64 -4.664 -2.559 -14.736 1.00 0.60 C ATOM 0 HA PRO A 64 -7.678 -3.268 -15.445 1.00 0.58 H new ATOM 0 HB2 PRO A 64 -5.895 -4.218 -17.334 1.00 0.64 H new ATOM 0 HB3 PRO A 64 -6.303 -2.521 -17.173 1.00 0.64 H new ATOM 0 HG2 PRO A 64 -3.844 -3.977 -16.167 1.00 0.64 H new ATOM 0 HG3 PRO A 64 -3.970 -2.343 -16.786 1.00 0.64 H new ATOM 0 HD2 PRO A 64 -3.842 -2.869 -14.091 1.00 0.60 H new ATOM 0 HD3 PRO A 64 -4.685 -1.469 -14.724 1.00 0.60 H new ATOM 1098 N GLU A 65 -7.991 -5.749 -15.572 1.00 0.57 N ATOM 1099 CA GLU A 65 -8.332 -7.153 -15.312 1.00 0.55 C ATOM 1100 C GLU A 65 -7.306 -8.135 -15.907 1.00 0.54 C ATOM 1101 O GLU A 65 -7.085 -9.206 -15.348 1.00 0.52 O ATOM 1102 CB GLU A 65 -9.754 -7.447 -15.821 1.00 0.59 C ATOM 1103 CG GLU A 65 -9.838 -7.627 -17.342 1.00 0.64 C ATOM 1104 CD GLU A 65 -11.295 -7.737 -17.814 1.00 0.87 C ATOM 1105 OE1 GLU A 65 -11.941 -6.687 -18.043 1.00 1.75 O ATOM 1106 OE2 GLU A 65 -11.803 -8.874 -17.971 1.00 2.23 O ATOM 0 H GLU A 65 -8.699 -5.243 -16.104 1.00 0.57 H new ATOM 0 HA GLU A 65 -8.301 -7.307 -14.233 1.00 0.55 H new ATOM 0 HB2 GLU A 65 -10.125 -8.350 -15.336 1.00 0.59 H new ATOM 0 HB3 GLU A 65 -10.413 -6.631 -15.523 1.00 0.59 H new ATOM 0 HG2 GLU A 65 -9.356 -6.784 -17.837 1.00 0.64 H new ATOM 0 HG3 GLU A 65 -9.291 -8.523 -17.635 1.00 0.64 H new ATOM 1113 N ALA A 66 -6.630 -7.754 -16.997 1.00 0.58 N ATOM 1114 CA ALA A 66 -5.559 -8.531 -17.620 1.00 0.60 C ATOM 1115 C ALA A 66 -4.339 -8.669 -16.694 1.00 0.54 C ATOM 1116 O ALA A 66 -3.762 -9.750 -16.588 1.00 0.56 O ATOM 1117 CB ALA A 66 -5.190 -7.845 -18.940 1.00 0.64 C ATOM 0 H ALA A 66 -6.819 -6.876 -17.480 1.00 0.58 H new ATOM 0 HA ALA A 66 -5.904 -9.547 -17.811 1.00 0.60 H new ATOM 0 HB1 ALA A 66 -4.392 -8.403 -19.429 1.00 0.64 H new ATOM 0 HB2 ALA A 66 -6.064 -7.815 -19.591 1.00 0.64 H new ATOM 0 HB3 ALA A 66 -4.852 -6.828 -18.740 1.00 0.64 H new ATOM 1123 N TRP A 67 -3.995 -7.598 -15.970 1.00 0.51 N ATOM 1124 CA TRP A 67 -2.916 -7.584 -14.982 1.00 0.45 C ATOM 1125 C TRP A 67 -3.342 -8.312 -13.707 1.00 0.41 C ATOM 1126 O TRP A 67 -2.582 -9.118 -13.179 1.00 0.40 O ATOM 1127 CB TRP A 67 -2.537 -6.126 -14.686 1.00 0.51 C ATOM 1128 CG TRP A 67 -1.419 -5.866 -13.717 1.00 0.55 C ATOM 1129 CD1 TRP A 67 -1.413 -4.824 -12.857 1.00 0.75 C ATOM 1130 CD2 TRP A 67 -0.153 -6.576 -13.481 1.00 0.54 C ATOM 1131 NE1 TRP A 67 -0.290 -4.867 -12.068 1.00 0.87 N ATOM 1132 CE2 TRP A 67 0.529 -5.912 -12.413 1.00 0.74 C ATOM 1133 CE3 TRP A 67 0.508 -7.696 -14.042 1.00 0.50 C ATOM 1134 CZ2 TRP A 67 1.770 -6.333 -11.922 1.00 0.84 C ATOM 1135 CZ3 TRP A 67 1.733 -8.152 -13.517 1.00 0.60 C ATOM 1136 CH2 TRP A 67 2.372 -7.471 -12.473 1.00 0.75 C ATOM 0 H TRP A 67 -4.470 -6.700 -16.058 1.00 0.51 H new ATOM 0 HA TRP A 67 -2.047 -8.108 -15.379 1.00 0.45 H new ATOM 0 HB2 TRP A 67 -2.275 -5.652 -15.632 1.00 0.51 H new ATOM 0 HB3 TRP A 67 -3.427 -5.620 -14.311 1.00 0.51 H new ATOM 0 HD1 TRP A 67 -2.181 -4.067 -12.799 1.00 0.75 H new ATOM 0 HE1 TRP A 67 -0.090 -4.204 -11.319 1.00 0.87 H new ATOM 0 HE3 TRP A 67 0.066 -8.208 -14.884 1.00 0.50 H new ATOM 0 HZ2 TRP A 67 2.257 -5.787 -11.128 1.00 0.84 H new ATOM 0 HZ3 TRP A 67 2.187 -9.042 -13.927 1.00 0.60 H new ATOM 0 HH2 TRP A 67 3.322 -7.821 -12.096 1.00 0.75 H new ATOM 1147 N VAL A 68 -4.574 -8.071 -13.252 1.00 0.41 N ATOM 1148 CA VAL A 68 -5.136 -8.677 -12.032 1.00 0.40 C ATOM 1149 C VAL A 68 -5.279 -10.194 -12.190 1.00 0.42 C ATOM 1150 O VAL A 68 -4.894 -10.944 -11.292 1.00 0.43 O ATOM 1151 CB VAL A 68 -6.499 -8.033 -11.681 1.00 0.44 C ATOM 1152 CG1 VAL A 68 -7.252 -8.710 -10.527 1.00 0.48 C ATOM 1153 CG2 VAL A 68 -6.308 -6.564 -11.284 1.00 0.48 C ATOM 0 H VAL A 68 -5.222 -7.441 -13.724 1.00 0.41 H new ATOM 0 HA VAL A 68 -4.445 -8.487 -11.211 1.00 0.40 H new ATOM 0 HB VAL A 68 -7.094 -8.150 -12.587 1.00 0.44 H new ATOM 0 HG11 VAL A 68 -8.194 -8.191 -10.353 1.00 0.48 H new ATOM 0 HG12 VAL A 68 -7.453 -9.750 -10.784 1.00 0.48 H new ATOM 0 HG13 VAL A 68 -6.644 -8.671 -9.623 1.00 0.48 H new ATOM 0 HG21 VAL A 68 -7.275 -6.124 -11.040 1.00 0.48 H new ATOM 0 HG22 VAL A 68 -5.653 -6.504 -10.415 1.00 0.48 H new ATOM 0 HG23 VAL A 68 -5.860 -6.018 -12.114 1.00 0.48 H new ATOM 1163 N SER A 69 -5.786 -10.656 -13.338 1.00 0.47 N ATOM 1164 CA SER A 69 -5.907 -12.094 -13.609 1.00 0.55 C ATOM 1165 C SER A 69 -4.528 -12.746 -13.739 1.00 0.56 C ATOM 1166 O SER A 69 -4.281 -13.759 -13.099 1.00 0.61 O ATOM 1167 CB SER A 69 -6.740 -12.333 -14.875 1.00 0.61 C ATOM 1168 OG SER A 69 -7.051 -13.710 -15.036 1.00 0.67 O ATOM 0 H SER A 69 -6.119 -10.057 -14.094 1.00 0.47 H new ATOM 0 HA SER A 69 -6.419 -12.557 -12.765 1.00 0.55 H new ATOM 0 HB2 SER A 69 -7.662 -11.754 -14.821 1.00 0.61 H new ATOM 0 HB3 SER A 69 -6.191 -11.978 -15.747 1.00 0.61 H new ATOM 0 HG SER A 69 -7.583 -13.832 -15.850 1.00 0.67 H new ATOM 1174 N TYR A 70 -3.586 -12.143 -14.472 1.00 0.54 N ATOM 1175 CA TYR A 70 -2.218 -12.651 -14.629 1.00 0.56 C ATOM 1176 C TYR A 70 -1.493 -12.802 -13.285 1.00 0.53 C ATOM 1177 O TYR A 70 -0.871 -13.837 -13.037 1.00 0.58 O ATOM 1178 CB TYR A 70 -1.481 -11.694 -15.569 1.00 0.56 C ATOM 1179 CG TYR A 70 -0.048 -12.069 -15.848 1.00 0.59 C ATOM 1180 CD1 TYR A 70 0.240 -13.101 -16.756 1.00 1.65 C ATOM 1181 CD2 TYR A 70 0.993 -11.377 -15.212 1.00 1.82 C ATOM 1182 CE1 TYR A 70 1.577 -13.427 -17.052 1.00 1.63 C ATOM 1183 CE2 TYR A 70 2.333 -11.678 -15.520 1.00 1.87 C ATOM 1184 CZ TYR A 70 2.630 -12.698 -16.451 1.00 0.67 C ATOM 1185 OH TYR A 70 3.925 -12.986 -16.763 1.00 0.73 O ATOM 0 H TYR A 70 -3.755 -11.275 -14.981 1.00 0.54 H new ATOM 0 HA TYR A 70 -2.243 -13.655 -15.053 1.00 0.56 H new ATOM 0 HB2 TYR A 70 -2.021 -11.646 -16.515 1.00 0.56 H new ATOM 0 HB3 TYR A 70 -1.504 -10.693 -15.138 1.00 0.56 H new ATOM 0 HD1 TYR A 70 -0.565 -13.645 -17.228 1.00 1.65 H new ATOM 0 HD2 TYR A 70 0.766 -10.612 -14.485 1.00 1.82 H new ATOM 0 HE1 TYR A 70 1.799 -14.232 -17.737 1.00 1.63 H new ATOM 0 HE2 TYR A 70 3.133 -11.130 -15.045 1.00 1.87 H new ATOM 0 HH TYR A 70 4.522 -12.391 -16.263 1.00 0.73 H new ATOM 1195 N TYR A 71 -1.638 -11.822 -12.386 1.00 0.48 N ATOM 1196 CA TYR A 71 -1.057 -11.848 -11.043 1.00 0.48 C ATOM 1197 C TYR A 71 -1.571 -13.036 -10.213 1.00 0.52 C ATOM 1198 O TYR A 71 -0.790 -13.736 -9.568 1.00 0.56 O ATOM 1199 CB TYR A 71 -1.339 -10.503 -10.348 1.00 0.49 C ATOM 1200 CG TYR A 71 -0.288 -10.059 -9.350 1.00 0.94 C ATOM 1201 CD1 TYR A 71 -0.106 -10.749 -8.136 1.00 1.39 C ATOM 1202 CD2 TYR A 71 0.510 -8.939 -9.644 1.00 2.56 C ATOM 1203 CE1 TYR A 71 0.870 -10.329 -7.208 1.00 1.93 C ATOM 1204 CE2 TYR A 71 1.478 -8.499 -8.725 1.00 3.37 C ATOM 1205 CZ TYR A 71 1.648 -9.182 -7.500 1.00 2.72 C ATOM 1206 OH TYR A 71 2.542 -8.694 -6.602 1.00 3.62 O ATOM 0 H TYR A 71 -2.172 -10.974 -12.577 1.00 0.48 H new ATOM 0 HA TYR A 71 0.021 -11.988 -11.130 1.00 0.48 H new ATOM 0 HB2 TYR A 71 -1.440 -9.732 -11.112 1.00 0.49 H new ATOM 0 HB3 TYR A 71 -2.298 -10.572 -9.835 1.00 0.49 H new ATOM 0 HD1 TYR A 71 -0.720 -11.609 -7.913 1.00 1.39 H new ATOM 0 HD2 TYR A 71 0.379 -8.415 -10.579 1.00 2.56 H new ATOM 0 HE1 TYR A 71 1.022 -10.874 -6.288 1.00 1.93 H new ATOM 0 HE2 TYR A 71 2.091 -7.640 -8.955 1.00 3.37 H new ATOM 0 HH TYR A 71 2.241 -8.904 -5.693 1.00 3.62 H new ATOM 1216 N GLN A 72 -2.881 -13.292 -10.252 1.00 0.54 N ATOM 1217 CA GLN A 72 -3.509 -14.431 -9.579 1.00 0.61 C ATOM 1218 C GLN A 72 -3.224 -15.779 -10.268 1.00 0.67 C ATOM 1219 O GLN A 72 -2.970 -16.770 -9.585 1.00 0.72 O ATOM 1220 CB GLN A 72 -5.021 -14.165 -9.462 1.00 0.65 C ATOM 1221 CG GLN A 72 -5.334 -13.324 -8.212 1.00 0.70 C ATOM 1222 CD GLN A 72 -6.836 -13.230 -7.939 1.00 1.11 C ATOM 1223 OE1 GLN A 72 -7.510 -12.275 -8.302 1.00 2.12 O ATOM 1224 NE2 GLN A 72 -7.423 -14.226 -7.302 1.00 2.43 N ATOM 0 H GLN A 72 -3.544 -12.706 -10.759 1.00 0.54 H new ATOM 0 HA GLN A 72 -3.069 -14.521 -8.586 1.00 0.61 H new ATOM 0 HB2 GLN A 72 -5.373 -13.645 -10.353 1.00 0.65 H new ATOM 0 HB3 GLN A 72 -5.558 -15.112 -9.412 1.00 0.65 H new ATOM 0 HG2 GLN A 72 -4.836 -13.763 -7.347 1.00 0.70 H new ATOM 0 HG3 GLN A 72 -4.926 -12.321 -8.340 1.00 0.70 H new ATOM 0 HE21 GLN A 72 -6.874 -15.028 -6.994 1.00 2.43 H new ATOM 0 HE22 GLN A 72 -8.426 -14.193 -7.118 1.00 2.43 H new ATOM 1233 N ALA A 73 -3.254 -15.829 -11.602 1.00 0.68 N ATOM 1234 CA ALA A 73 -3.243 -17.057 -12.403 1.00 0.76 C ATOM 1235 C ALA A 73 -1.879 -17.762 -12.391 1.00 0.77 C ATOM 1236 O ALA A 73 -1.801 -18.986 -12.287 1.00 0.85 O ATOM 1237 CB ALA A 73 -3.661 -16.688 -13.837 1.00 0.81 C ATOM 0 H ALA A 73 -3.288 -14.986 -12.175 1.00 0.68 H new ATOM 0 HA ALA A 73 -3.944 -17.769 -11.968 1.00 0.76 H new ATOM 0 HB1 ALA A 73 -3.662 -17.584 -14.458 1.00 0.81 H new ATOM 0 HB2 ALA A 73 -4.661 -16.254 -13.824 1.00 0.81 H new ATOM 0 HB3 ALA A 73 -2.957 -15.964 -14.246 1.00 0.81 H new ATOM 1243 N LYS A 74 -0.801 -16.979 -12.479 1.00 0.71 N ATOM 1244 CA LYS A 74 0.590 -17.435 -12.356 1.00 0.76 C ATOM 1245 C LYS A 74 1.099 -17.421 -10.897 1.00 0.71 C ATOM 1246 O LYS A 74 2.250 -17.776 -10.634 1.00 0.76 O ATOM 1247 CB LYS A 74 1.438 -16.550 -13.287 1.00 0.83 C ATOM 1248 CG LYS A 74 1.610 -17.097 -14.710 1.00 0.88 C ATOM 1249 CD LYS A 74 0.348 -17.476 -15.499 1.00 1.06 C ATOM 1250 CE LYS A 74 -0.414 -16.228 -15.954 1.00 1.50 C ATOM 1251 NZ LYS A 74 -1.590 -16.578 -16.798 1.00 1.92 N ATOM 0 H LYS A 74 -0.873 -15.975 -12.644 1.00 0.71 H new ATOM 0 HA LYS A 74 0.668 -18.480 -12.655 1.00 0.76 H new ATOM 0 HB2 LYS A 74 0.979 -15.563 -13.345 1.00 0.83 H new ATOM 0 HB3 LYS A 74 2.424 -16.418 -12.842 1.00 0.83 H new ATOM 0 HG2 LYS A 74 2.154 -16.351 -15.290 1.00 0.88 H new ATOM 0 HG3 LYS A 74 2.245 -17.981 -14.652 1.00 0.88 H new ATOM 0 HD2 LYS A 74 0.624 -18.074 -16.368 1.00 1.06 H new ATOM 0 HD3 LYS A 74 -0.300 -18.095 -14.879 1.00 1.06 H new ATOM 0 HE2 LYS A 74 -0.747 -15.666 -15.081 1.00 1.50 H new ATOM 0 HE3 LYS A 74 0.256 -15.577 -16.515 1.00 1.50 H new ATOM 0 HZ1 LYS A 74 -2.081 -15.708 -17.087 1.00 1.92 H new ATOM 0 HZ2 LYS A 74 -1.270 -17.092 -17.643 1.00 1.92 H new ATOM 0 HZ3 LYS A 74 -2.242 -17.179 -16.254 1.00 1.92 H new ATOM 1265 N ASN A 75 0.244 -17.016 -9.949 1.00 0.64 N ATOM 1266 CA ASN A 75 0.467 -17.060 -8.498 1.00 0.61 C ATOM 1267 C ASN A 75 1.608 -16.121 -8.048 1.00 0.51 C ATOM 1268 O ASN A 75 2.446 -16.488 -7.223 1.00 0.52 O ATOM 1269 CB ASN A 75 0.653 -18.510 -8.001 1.00 0.80 C ATOM 1270 CG ASN A 75 -0.371 -19.497 -8.557 1.00 1.13 C ATOM 1271 OD1 ASN A 75 -0.038 -20.398 -9.319 1.00 2.09 O ATOM 1272 ND2 ASN A 75 -1.637 -19.364 -8.204 1.00 1.37 N ATOM 0 H ASN A 75 -0.669 -16.629 -10.186 1.00 0.64 H new ATOM 0 HA ASN A 75 -0.434 -16.676 -8.020 1.00 0.61 H new ATOM 0 HB2 ASN A 75 1.653 -18.850 -8.271 1.00 0.80 H new ATOM 0 HB3 ASN A 75 0.597 -18.519 -6.912 1.00 0.80 H new ATOM 0 HD21 ASN A 75 -2.338 -20.011 -8.565 1.00 1.37 H new ATOM 0 HD22 ASN A 75 -1.914 -18.614 -7.570 1.00 1.37 H new ATOM 1279 N PHE A 76 1.658 -14.897 -8.589 1.00 0.46 N ATOM 1280 CA PHE A 76 2.731 -13.924 -8.342 1.00 0.43 C ATOM 1281 C PHE A 76 2.842 -13.466 -6.878 1.00 0.40 C ATOM 1282 O PHE A 76 3.907 -13.001 -6.477 1.00 0.40 O ATOM 1283 CB PHE A 76 2.563 -12.735 -9.298 1.00 0.41 C ATOM 1284 CG PHE A 76 3.152 -12.976 -10.672 1.00 0.46 C ATOM 1285 CD1 PHE A 76 4.523 -12.750 -10.866 1.00 1.48 C ATOM 1286 CD2 PHE A 76 2.364 -13.415 -11.749 1.00 1.62 C ATOM 1287 CE1 PHE A 76 5.107 -12.931 -12.130 1.00 1.50 C ATOM 1288 CE2 PHE A 76 2.945 -13.587 -13.017 1.00 1.64 C ATOM 1289 CZ PHE A 76 4.316 -13.351 -13.209 1.00 0.58 C ATOM 0 H PHE A 76 0.940 -14.548 -9.223 1.00 0.46 H new ATOM 0 HA PHE A 76 3.676 -14.429 -8.540 1.00 0.43 H new ATOM 0 HB2 PHE A 76 1.502 -12.509 -9.401 1.00 0.41 H new ATOM 0 HB3 PHE A 76 3.035 -11.856 -8.858 1.00 0.41 H new ATOM 0 HD1 PHE A 76 5.135 -12.434 -10.035 1.00 1.48 H new ATOM 0 HD2 PHE A 76 1.314 -13.620 -11.603 1.00 1.62 H new ATOM 0 HE1 PHE A 76 6.162 -12.747 -12.271 1.00 1.50 H new ATOM 0 HE2 PHE A 76 2.333 -13.903 -13.849 1.00 1.64 H new ATOM 0 HZ PHE A 76 4.759 -13.492 -14.184 1.00 0.58 H new ATOM 1299 N LEU A 77 1.824 -13.712 -6.040 1.00 0.42 N ATOM 1300 CA LEU A 77 1.925 -13.612 -4.576 1.00 0.44 C ATOM 1301 C LEU A 77 3.107 -14.447 -4.010 1.00 0.46 C ATOM 1302 O LEU A 77 3.624 -14.131 -2.943 1.00 0.51 O ATOM 1303 CB LEU A 77 0.606 -14.074 -3.919 1.00 0.49 C ATOM 1304 CG LEU A 77 -0.670 -13.205 -3.960 1.00 0.65 C ATOM 1305 CD1 LEU A 77 -0.505 -11.851 -3.265 1.00 2.56 C ATOM 1306 CD2 LEU A 77 -1.240 -12.995 -5.360 1.00 2.72 C ATOM 0 H LEU A 77 0.897 -13.989 -6.363 1.00 0.42 H new ATOM 0 HA LEU A 77 2.113 -12.565 -4.338 1.00 0.44 H new ATOM 0 HB2 LEU A 77 0.349 -15.033 -4.368 1.00 0.49 H new ATOM 0 HB3 LEU A 77 0.826 -14.262 -2.868 1.00 0.49 H new ATOM 0 HG LEU A 77 -1.392 -13.797 -3.397 1.00 0.65 H new ATOM 0 HD11 LEU A 77 -1.438 -11.292 -3.331 1.00 2.56 H new ATOM 0 HD12 LEU A 77 -0.250 -12.009 -2.217 1.00 2.56 H new ATOM 0 HD13 LEU A 77 0.291 -11.287 -3.751 1.00 2.56 H new ATOM 0 HD21 LEU A 77 -2.134 -12.375 -5.300 1.00 2.72 H new ATOM 0 HD22 LEU A 77 -0.497 -12.500 -5.985 1.00 2.72 H new ATOM 0 HD23 LEU A 77 -1.497 -13.960 -5.797 1.00 2.72 H new ATOM 1318 N ALA A 78 3.573 -15.493 -4.710 1.00 0.45 N ATOM 1319 CA ALA A 78 4.706 -16.324 -4.290 1.00 0.49 C ATOM 1320 C ALA A 78 6.076 -15.634 -4.445 1.00 0.47 C ATOM 1321 O ALA A 78 7.027 -15.998 -3.749 1.00 0.53 O ATOM 1322 CB ALA A 78 4.660 -17.619 -5.112 1.00 0.54 C ATOM 0 H ALA A 78 3.165 -15.788 -5.597 1.00 0.45 H new ATOM 0 HA ALA A 78 4.606 -16.521 -3.223 1.00 0.49 H new ATOM 0 HB1 ALA A 78 5.491 -18.262 -4.824 1.00 0.54 H new ATOM 0 HB2 ALA A 78 3.719 -18.136 -4.924 1.00 0.54 H new ATOM 0 HB3 ALA A 78 4.737 -17.380 -6.173 1.00 0.54 H new ATOM 1328 N ILE A 79 6.188 -14.660 -5.357 1.00 0.42 N ATOM 1329 CA ILE A 79 7.454 -13.981 -5.715 1.00 0.43 C ATOM 1330 C ILE A 79 7.442 -12.475 -5.398 1.00 0.44 C ATOM 1331 O ILE A 79 8.480 -11.816 -5.431 1.00 0.46 O ATOM 1332 CB ILE A 79 7.827 -14.277 -7.186 1.00 0.46 C ATOM 1333 CG1 ILE A 79 6.944 -13.552 -8.230 1.00 0.50 C ATOM 1334 CG2 ILE A 79 7.803 -15.794 -7.454 1.00 0.48 C ATOM 1335 CD1 ILE A 79 7.773 -12.516 -8.989 1.00 0.51 C ATOM 0 H ILE A 79 5.387 -14.309 -5.882 1.00 0.42 H new ATOM 0 HA ILE A 79 8.237 -14.395 -5.080 1.00 0.43 H new ATOM 0 HB ILE A 79 8.835 -13.881 -7.311 1.00 0.46 H new ATOM 0 HG12 ILE A 79 6.524 -14.276 -8.928 1.00 0.50 H new ATOM 0 HG13 ILE A 79 6.105 -13.065 -7.733 1.00 0.50 H new ATOM 0 HG21 ILE A 79 8.068 -15.984 -8.494 1.00 0.48 H new ATOM 0 HG22 ILE A 79 8.520 -16.290 -6.800 1.00 0.48 H new ATOM 0 HG23 ILE A 79 6.804 -16.182 -7.257 1.00 0.48 H new ATOM 0 HD11 ILE A 79 7.143 -12.011 -9.721 1.00 0.51 H new ATOM 0 HD12 ILE A 79 8.171 -11.784 -8.287 1.00 0.51 H new ATOM 0 HD13 ILE A 79 8.597 -13.013 -9.501 1.00 0.51 H new ATOM 1347 N ASP A 80 6.274 -11.940 -5.046 1.00 0.48 N ATOM 1348 CA ASP A 80 6.046 -10.588 -4.553 1.00 0.62 C ATOM 1349 C ASP A 80 6.728 -10.367 -3.182 1.00 0.59 C ATOM 1350 O ASP A 80 6.432 -11.106 -2.234 1.00 0.70 O ATOM 1351 CB ASP A 80 4.522 -10.419 -4.452 1.00 0.90 C ATOM 1352 CG ASP A 80 4.058 -9.091 -3.843 1.00 1.58 C ATOM 1353 OD1 ASP A 80 4.906 -8.202 -3.609 1.00 2.25 O ATOM 1354 OD2 ASP A 80 2.838 -8.960 -3.608 1.00 2.58 O ATOM 0 H ASP A 80 5.408 -12.476 -5.102 1.00 0.48 H new ATOM 0 HA ASP A 80 6.479 -9.848 -5.226 1.00 0.62 H new ATOM 0 HB2 ASP A 80 4.094 -10.513 -5.450 1.00 0.90 H new ATOM 0 HB3 ASP A 80 4.119 -11.236 -3.854 1.00 0.90 H new ATOM 1359 N PRO A 81 7.597 -9.345 -3.031 1.00 0.58 N ATOM 1360 CA PRO A 81 8.251 -9.042 -1.765 1.00 0.61 C ATOM 1361 C PRO A 81 7.376 -8.194 -0.827 1.00 0.74 C ATOM 1362 O PRO A 81 7.692 -8.104 0.356 1.00 0.79 O ATOM 1363 CB PRO A 81 9.516 -8.283 -2.172 1.00 0.59 C ATOM 1364 CG PRO A 81 9.055 -7.482 -3.388 1.00 0.71 C ATOM 1365 CD PRO A 81 8.040 -8.406 -4.058 1.00 0.71 C ATOM 0 HA PRO A 81 8.458 -9.949 -1.198 1.00 0.61 H new ATOM 0 HB2 PRO A 81 9.873 -7.634 -1.372 1.00 0.59 H new ATOM 0 HB3 PRO A 81 10.332 -8.961 -2.420 1.00 0.59 H new ATOM 0 HG2 PRO A 81 8.604 -6.534 -3.097 1.00 0.71 H new ATOM 0 HG3 PRO A 81 9.886 -7.248 -4.054 1.00 0.71 H new ATOM 0 HD2 PRO A 81 7.198 -7.837 -4.453 1.00 0.71 H new ATOM 0 HD3 PRO A 81 8.491 -8.934 -4.898 1.00 0.71 H new ATOM 1373 N VAL A 82 6.294 -7.572 -1.318 1.00 0.82 N ATOM 1374 CA VAL A 82 5.508 -6.573 -0.573 1.00 0.90 C ATOM 1375 C VAL A 82 4.662 -7.202 0.542 1.00 0.98 C ATOM 1376 O VAL A 82 4.292 -6.526 1.496 1.00 1.22 O ATOM 1377 CB VAL A 82 4.625 -5.750 -1.545 1.00 1.00 C ATOM 1378 CG1 VAL A 82 3.668 -4.782 -0.839 1.00 2.64 C ATOM 1379 CG2 VAL A 82 5.534 -5.007 -2.543 1.00 1.80 C ATOM 0 H VAL A 82 5.934 -7.750 -2.256 1.00 0.82 H new ATOM 0 HA VAL A 82 6.215 -5.903 -0.084 1.00 0.90 H new ATOM 0 HB VAL A 82 3.980 -6.451 -2.075 1.00 1.00 H new ATOM 0 HG11 VAL A 82 3.083 -4.241 -1.583 1.00 2.64 H new ATOM 0 HG12 VAL A 82 2.997 -5.343 -0.188 1.00 2.64 H new ATOM 0 HG13 VAL A 82 4.242 -4.073 -0.243 1.00 2.64 H new ATOM 0 HG21 VAL A 82 4.920 -4.425 -3.231 1.00 1.80 H new ATOM 0 HG22 VAL A 82 6.202 -4.339 -1.999 1.00 1.80 H new ATOM 0 HG23 VAL A 82 6.124 -5.730 -3.106 1.00 1.80 H new ATOM 1389 N LEU A 83 4.412 -8.509 0.472 1.00 0.89 N ATOM 1390 CA LEU A 83 3.733 -9.288 1.509 1.00 0.98 C ATOM 1391 C LEU A 83 4.702 -10.001 2.468 1.00 0.97 C ATOM 1392 O LEU A 83 4.256 -10.694 3.382 1.00 1.08 O ATOM 1393 CB LEU A 83 2.729 -10.227 0.815 1.00 1.04 C ATOM 1394 CG LEU A 83 3.285 -11.154 -0.295 1.00 0.85 C ATOM 1395 CD1 LEU A 83 4.023 -12.381 0.262 1.00 0.92 C ATOM 1396 CD2 LEU A 83 2.104 -11.607 -1.155 1.00 0.96 C ATOM 0 H LEU A 83 4.685 -9.073 -0.333 1.00 0.89 H new ATOM 0 HA LEU A 83 3.186 -8.618 2.172 1.00 0.98 H new ATOM 0 HB2 LEU A 83 2.266 -10.852 1.579 1.00 1.04 H new ATOM 0 HB3 LEU A 83 1.938 -9.616 0.381 1.00 1.04 H new ATOM 0 HG LEU A 83 4.018 -10.595 -0.877 1.00 0.85 H new ATOM 0 HD11 LEU A 83 4.389 -12.991 -0.564 1.00 0.92 H new ATOM 0 HD12 LEU A 83 4.865 -12.053 0.872 1.00 0.92 H new ATOM 0 HD13 LEU A 83 3.340 -12.970 0.873 1.00 0.92 H new ATOM 0 HD21 LEU A 83 2.462 -12.263 -1.948 1.00 0.96 H new ATOM 0 HD22 LEU A 83 1.388 -12.145 -0.535 1.00 0.96 H new ATOM 0 HD23 LEU A 83 1.620 -10.736 -1.596 1.00 0.96 H new ATOM 1408 N ASN A 84 6.016 -9.861 2.266 1.00 0.88 N ATOM 1409 CA ASN A 84 7.041 -10.618 2.988 1.00 0.88 C ATOM 1410 C ASN A 84 7.791 -9.694 3.977 1.00 0.79 C ATOM 1411 O ASN A 84 8.589 -8.863 3.530 1.00 0.70 O ATOM 1412 CB ASN A 84 7.975 -11.240 1.930 1.00 0.86 C ATOM 1413 CG ASN A 84 8.550 -12.595 2.346 1.00 1.31 C ATOM 1414 OD1 ASN A 84 7.884 -13.422 2.957 1.00 1.89 O ATOM 1415 ND2 ASN A 84 9.792 -12.878 1.991 1.00 1.67 N ATOM 0 H ASN A 84 6.403 -9.208 1.585 1.00 0.88 H new ATOM 0 HA ASN A 84 6.604 -11.413 3.592 1.00 0.88 H new ATOM 0 HB2 ASN A 84 7.425 -11.359 0.996 1.00 0.86 H new ATOM 0 HB3 ASN A 84 8.796 -10.551 1.731 1.00 0.86 H new ATOM 0 HD21 ASN A 84 10.195 -13.785 2.226 1.00 1.67 H new ATOM 0 HD22 ASN A 84 10.346 -12.189 1.482 1.00 1.67 H new ATOM 1422 N PRO A 85 7.568 -9.805 5.306 1.00 0.84 N ATOM 1423 CA PRO A 85 7.969 -8.774 6.271 1.00 0.76 C ATOM 1424 C PRO A 85 9.488 -8.638 6.460 1.00 0.79 C ATOM 1425 O PRO A 85 9.951 -7.596 6.920 1.00 0.79 O ATOM 1426 CB PRO A 85 7.259 -9.138 7.583 1.00 0.86 C ATOM 1427 CG PRO A 85 7.010 -10.640 7.460 1.00 0.98 C ATOM 1428 CD PRO A 85 6.752 -10.814 5.967 1.00 0.97 C ATOM 0 HA PRO A 85 7.677 -7.791 5.901 1.00 0.76 H new ATOM 0 HB2 PRO A 85 7.877 -8.905 8.450 1.00 0.86 H new ATOM 0 HB3 PRO A 85 6.326 -8.586 7.699 1.00 0.86 H new ATOM 0 HG2 PRO A 85 7.869 -11.222 7.793 1.00 0.98 H new ATOM 0 HG3 PRO A 85 6.157 -10.960 8.059 1.00 0.98 H new ATOM 0 HD2 PRO A 85 7.025 -11.816 5.637 1.00 0.97 H new ATOM 0 HD3 PRO A 85 5.696 -10.678 5.734 1.00 0.97 H new ATOM 1436 N GLU A 86 10.273 -9.651 6.083 1.00 0.89 N ATOM 1437 CA GLU A 86 11.735 -9.665 6.201 1.00 1.00 C ATOM 1438 C GLU A 86 12.430 -8.703 5.221 1.00 0.89 C ATOM 1439 O GLU A 86 13.537 -8.235 5.496 1.00 0.98 O ATOM 1440 CB GLU A 86 12.275 -11.084 5.981 1.00 1.18 C ATOM 1441 CG GLU A 86 11.757 -12.079 7.030 1.00 1.39 C ATOM 1442 CD GLU A 86 10.473 -12.831 6.625 1.00 1.89 C ATOM 1443 OE1 GLU A 86 9.721 -12.355 5.741 1.00 2.83 O ATOM 1444 OE2 GLU A 86 10.207 -13.905 7.215 1.00 2.69 O ATOM 0 H GLU A 86 9.899 -10.508 5.676 1.00 0.89 H new ATOM 0 HA GLU A 86 11.962 -9.324 7.211 1.00 1.00 H new ATOM 0 HB2 GLU A 86 11.990 -11.428 4.987 1.00 1.18 H new ATOM 0 HB3 GLU A 86 13.364 -11.064 6.011 1.00 1.18 H new ATOM 0 HG2 GLU A 86 12.540 -12.809 7.236 1.00 1.39 H new ATOM 0 HG3 GLU A 86 11.569 -11.541 7.959 1.00 1.39 H new ATOM 1451 N ASN A 87 11.794 -8.390 4.085 1.00 0.74 N ATOM 1452 CA ASN A 87 12.343 -7.482 3.069 1.00 0.67 C ATOM 1453 C ASN A 87 12.222 -5.995 3.481 1.00 0.62 C ATOM 1454 O ASN A 87 12.959 -5.137 2.992 1.00 0.65 O ATOM 1455 CB ASN A 87 11.648 -7.770 1.723 1.00 0.65 C ATOM 1456 CG ASN A 87 12.598 -7.648 0.529 1.00 1.06 C ATOM 1457 OD1 ASN A 87 13.447 -6.770 0.447 1.00 2.42 O ATOM 1458 ND2 ASN A 87 12.506 -8.555 -0.427 1.00 1.57 N ATOM 0 H ASN A 87 10.876 -8.763 3.843 1.00 0.74 H new ATOM 0 HA ASN A 87 13.413 -7.667 2.968 1.00 0.67 H new ATOM 0 HB2 ASN A 87 11.226 -8.775 1.745 1.00 0.65 H new ATOM 0 HB3 ASN A 87 10.817 -7.077 1.593 1.00 0.65 H new ATOM 0 HD21 ASN A 87 13.140 -8.520 -1.226 1.00 1.57 H new ATOM 0 HD22 ASN A 87 11.801 -9.290 -0.367 1.00 1.57 H new ATOM 1465 N PHE A 88 11.312 -5.687 4.417 1.00 0.61 N ATOM 1466 CA PHE A 88 11.058 -4.349 4.957 1.00 0.63 C ATOM 1467 C PHE A 88 12.099 -3.981 6.030 1.00 0.73 C ATOM 1468 O PHE A 88 11.785 -3.823 7.210 1.00 0.80 O ATOM 1469 CB PHE A 88 9.623 -4.287 5.500 1.00 0.60 C ATOM 1470 CG PHE A 88 8.566 -4.381 4.427 1.00 0.53 C ATOM 1471 CD1 PHE A 88 8.139 -5.637 3.957 1.00 1.88 C ATOM 1472 CD2 PHE A 88 8.034 -3.204 3.876 1.00 1.96 C ATOM 1473 CE1 PHE A 88 7.173 -5.716 2.938 1.00 1.89 C ATOM 1474 CE2 PHE A 88 7.047 -3.279 2.885 1.00 1.94 C ATOM 1475 CZ PHE A 88 6.621 -4.531 2.412 1.00 0.46 C ATOM 0 H PHE A 88 10.709 -6.396 4.834 1.00 0.61 H new ATOM 0 HA PHE A 88 11.157 -3.610 4.162 1.00 0.63 H new ATOM 0 HB2 PHE A 88 9.478 -5.099 6.213 1.00 0.60 H new ATOM 0 HB3 PHE A 88 9.491 -3.354 6.048 1.00 0.60 H new ATOM 0 HD1 PHE A 88 8.553 -6.541 4.379 1.00 1.88 H new ATOM 0 HD2 PHE A 88 8.386 -2.241 4.216 1.00 1.96 H new ATOM 0 HE1 PHE A 88 6.857 -6.678 2.561 1.00 1.89 H new ATOM 0 HE2 PHE A 88 6.614 -2.374 2.485 1.00 1.94 H new ATOM 0 HZ PHE A 88 5.866 -4.586 1.641 1.00 0.46 H new ATOM 1485 N SER A 89 13.362 -3.847 5.630 1.00 0.75 N ATOM 1486 CA SER A 89 14.505 -3.774 6.562 1.00 0.85 C ATOM 1487 C SER A 89 14.580 -2.451 7.348 1.00 0.91 C ATOM 1488 O SER A 89 15.215 -2.388 8.403 1.00 1.02 O ATOM 1489 CB SER A 89 15.814 -3.987 5.784 1.00 0.87 C ATOM 1490 OG SER A 89 15.802 -5.205 5.047 1.00 0.87 O ATOM 0 H SER A 89 13.631 -3.785 4.648 1.00 0.75 H new ATOM 0 HA SER A 89 14.357 -4.563 7.299 1.00 0.85 H new ATOM 0 HB2 SER A 89 15.971 -3.152 5.102 1.00 0.87 H new ATOM 0 HB3 SER A 89 16.653 -3.992 6.480 1.00 0.87 H new ATOM 0 HG SER A 89 16.649 -5.304 4.565 1.00 0.87 H new ATOM 1496 N GLN A 90 13.901 -1.405 6.864 1.00 0.86 N ATOM 1497 CA GLN A 90 13.676 -0.133 7.565 1.00 0.94 C ATOM 1498 C GLN A 90 12.166 0.163 7.729 1.00 0.84 C ATOM 1499 O GLN A 90 11.766 1.319 7.883 1.00 0.84 O ATOM 1500 CB GLN A 90 14.411 0.996 6.814 1.00 1.03 C ATOM 1501 CG GLN A 90 15.936 0.781 6.755 1.00 1.19 C ATOM 1502 CD GLN A 90 16.701 1.991 6.208 1.00 2.24 C ATOM 1503 OE1 GLN A 90 16.193 2.822 5.463 1.00 3.49 O ATOM 1504 NE2 GLN A 90 17.964 2.144 6.559 1.00 2.65 N ATOM 0 H GLN A 90 13.476 -1.421 5.937 1.00 0.86 H new ATOM 0 HA GLN A 90 14.083 -0.201 8.574 1.00 0.94 H new ATOM 0 HB2 GLN A 90 14.019 1.066 5.799 1.00 1.03 H new ATOM 0 HB3 GLN A 90 14.202 1.947 7.303 1.00 1.03 H new ATOM 0 HG2 GLN A 90 16.302 0.551 7.756 1.00 1.19 H new ATOM 0 HG3 GLN A 90 16.149 -0.087 6.131 1.00 1.19 H new ATOM 0 HE21 GLN A 90 18.407 1.465 7.178 1.00 2.65 H new ATOM 0 HE22 GLN A 90 18.497 2.941 6.211 1.00 2.65 H new ATOM 1513 N GLY A 91 11.306 -0.867 7.646 1.00 0.78 N ATOM 1514 CA GLY A 91 9.839 -0.730 7.684 1.00 0.74 C ATOM 1515 C GLY A 91 9.225 -0.231 6.372 1.00 0.64 C ATOM 1516 O GLY A 91 8.066 0.178 6.347 1.00 0.67 O ATOM 0 H GLY A 91 11.616 -1.834 7.549 1.00 0.78 H new ATOM 0 HA2 GLY A 91 9.401 -1.696 7.934 1.00 0.74 H new ATOM 0 HA3 GLY A 91 9.569 -0.041 8.484 1.00 0.74 H new ATOM 1520 N HIS A 92 10.000 -0.235 5.288 1.00 0.58 N ATOM 1521 CA HIS A 92 9.696 0.407 4.006 1.00 0.55 C ATOM 1522 C HIS A 92 10.266 -0.415 2.828 1.00 0.53 C ATOM 1523 O HIS A 92 11.193 -1.209 3.025 1.00 0.56 O ATOM 1524 CB HIS A 92 10.299 1.824 4.046 1.00 0.64 C ATOM 1525 CG HIS A 92 10.122 2.577 2.755 1.00 0.63 C ATOM 1526 ND1 HIS A 92 8.928 2.927 2.165 1.00 0.63 N ATOM 1527 CD2 HIS A 92 11.109 2.835 1.842 1.00 0.68 C ATOM 1528 CE1 HIS A 92 9.188 3.336 0.918 1.00 0.69 C ATOM 1529 NE2 HIS A 92 10.510 3.329 0.682 1.00 0.72 N ATOM 0 H HIS A 92 10.903 -0.710 5.278 1.00 0.58 H new ATOM 0 HA HIS A 92 8.618 0.463 3.852 1.00 0.55 H new ATOM 0 HB2 HIS A 92 9.834 2.388 4.855 1.00 0.64 H new ATOM 0 HB3 HIS A 92 11.362 1.754 4.276 1.00 0.64 H new ATOM 0 HD1 HIS A 92 8.007 2.882 2.602 1.00 0.63 H new ATOM 0 HD2 HIS A 92 12.167 2.683 1.993 1.00 0.68 H new ATOM 0 HE1 HIS A 92 8.438 3.631 0.200 1.00 0.69 H new ATOM 1537 N LEU A 93 9.734 -0.218 1.611 1.00 0.51 N ATOM 1538 CA LEU A 93 10.193 -0.891 0.393 1.00 0.51 C ATOM 1539 C LEU A 93 10.043 0.009 -0.853 1.00 0.49 C ATOM 1540 O LEU A 93 9.051 0.724 -0.994 1.00 0.50 O ATOM 1541 CB LEU A 93 9.410 -2.213 0.248 1.00 0.55 C ATOM 1542 CG LEU A 93 10.172 -3.340 -0.468 1.00 0.67 C ATOM 1543 CD1 LEU A 93 11.281 -3.899 0.424 1.00 1.15 C ATOM 1544 CD2 LEU A 93 9.207 -4.486 -0.782 1.00 1.50 C ATOM 0 H LEU A 93 8.960 0.425 1.447 1.00 0.51 H new ATOM 0 HA LEU A 93 11.258 -1.106 0.474 1.00 0.51 H new ATOM 0 HB2 LEU A 93 9.125 -2.561 1.241 1.00 0.55 H new ATOM 0 HB3 LEU A 93 8.487 -2.014 -0.297 1.00 0.55 H new ATOM 0 HG LEU A 93 10.605 -2.928 -1.380 1.00 0.67 H new ATOM 0 HD11 LEU A 93 11.806 -4.695 -0.104 1.00 1.15 H new ATOM 0 HD12 LEU A 93 11.984 -3.104 0.673 1.00 1.15 H new ATOM 0 HD13 LEU A 93 10.845 -4.297 1.340 1.00 1.15 H new ATOM 0 HD21 LEU A 93 9.745 -5.286 -1.290 1.00 1.50 H new ATOM 0 HD22 LEU A 93 8.781 -4.867 0.146 1.00 1.50 H new ATOM 0 HD23 LEU A 93 8.407 -4.122 -1.426 1.00 1.50 H new ATOM 1556 N MET A 94 11.003 -0.060 -1.783 1.00 0.50 N ATOM 1557 CA MET A 94 10.981 0.662 -3.072 1.00 0.55 C ATOM 1558 C MET A 94 11.046 -0.302 -4.254 1.00 0.60 C ATOM 1559 O MET A 94 11.771 -1.296 -4.208 1.00 0.68 O ATOM 1560 CB MET A 94 12.180 1.617 -3.179 1.00 0.76 C ATOM 1561 CG MET A 94 12.031 2.818 -2.253 1.00 0.76 C ATOM 1562 SD MET A 94 13.418 3.970 -2.343 1.00 0.94 S ATOM 1563 CE MET A 94 12.674 5.271 -1.339 1.00 0.65 C ATOM 0 H MET A 94 11.839 -0.632 -1.662 1.00 0.50 H new ATOM 0 HA MET A 94 10.045 1.219 -3.104 1.00 0.55 H new ATOM 0 HB2 MET A 94 13.096 1.080 -2.933 1.00 0.76 H new ATOM 0 HB3 MET A 94 12.279 1.962 -4.208 1.00 0.76 H new ATOM 0 HG2 MET A 94 11.112 3.348 -2.502 1.00 0.76 H new ATOM 0 HG3 MET A 94 11.927 2.465 -1.227 1.00 0.76 H new ATOM 0 HE1 MET A 94 13.285 6.172 -1.400 1.00 0.65 H new ATOM 0 HE2 MET A 94 11.671 5.487 -1.708 1.00 0.65 H new ATOM 0 HE3 MET A 94 12.616 4.942 -0.302 1.00 0.65 H new ATOM 1573 N TRP A 95 10.341 0.022 -5.341 1.00 0.64 N ATOM 1574 CA TRP A 95 10.409 -0.742 -6.585 1.00 0.65 C ATOM 1575 C TRP A 95 11.654 -0.301 -7.371 1.00 0.67 C ATOM 1576 O TRP A 95 11.766 0.856 -7.785 1.00 0.66 O ATOM 1577 CB TRP A 95 9.136 -0.539 -7.430 1.00 0.65 C ATOM 1578 CG TRP A 95 7.790 -0.903 -6.861 1.00 0.60 C ATOM 1579 CD1 TRP A 95 7.454 -1.008 -5.555 1.00 0.60 C ATOM 1580 CD2 TRP A 95 6.546 -1.151 -7.595 1.00 0.61 C ATOM 1581 NE1 TRP A 95 6.106 -1.252 -5.431 1.00 0.59 N ATOM 1582 CE2 TRP A 95 5.486 -1.327 -6.654 1.00 0.62 C ATOM 1583 CE3 TRP A 95 6.196 -1.207 -8.963 1.00 0.68 C ATOM 1584 CZ2 TRP A 95 4.152 -1.514 -7.041 1.00 0.70 C ATOM 1585 CZ3 TRP A 95 4.862 -1.417 -9.365 1.00 0.77 C ATOM 1586 CH2 TRP A 95 3.840 -1.561 -8.410 1.00 0.79 C ATOM 0 H TRP A 95 9.708 0.821 -5.381 1.00 0.64 H new ATOM 0 HA TRP A 95 10.479 -1.804 -6.350 1.00 0.65 H new ATOM 0 HB2 TRP A 95 9.096 0.514 -7.709 1.00 0.65 H new ATOM 0 HB3 TRP A 95 9.264 -1.108 -8.351 1.00 0.65 H new ATOM 0 HD1 TRP A 95 8.144 -0.914 -4.729 1.00 0.60 H new ATOM 0 HE1 TRP A 95 5.625 -1.364 -4.538 1.00 0.59 H new ATOM 0 HE3 TRP A 95 6.964 -1.087 -9.713 1.00 0.68 H new ATOM 0 HZ2 TRP A 95 3.376 -1.620 -6.298 1.00 0.70 H new ATOM 0 HZ3 TRP A 95 4.622 -1.468 -10.417 1.00 0.77 H new ATOM 0 HH2 TRP A 95 2.818 -1.707 -8.728 1.00 0.79 H new ATOM 1597 N ASN A 96 12.582 -1.231 -7.588 1.00 0.71 N ATOM 1598 CA ASN A 96 13.793 -1.034 -8.385 1.00 0.70 C ATOM 1599 C ASN A 96 14.084 -2.293 -9.216 1.00 0.66 C ATOM 1600 O ASN A 96 13.652 -3.389 -8.859 1.00 0.66 O ATOM 1601 CB ASN A 96 14.964 -0.650 -7.459 1.00 0.76 C ATOM 1602 CG ASN A 96 16.186 -0.121 -8.212 1.00 1.95 C ATOM 1603 OD1 ASN A 96 16.116 0.275 -9.371 1.00 3.22 O ATOM 1604 ND2 ASN A 96 17.342 -0.108 -7.577 1.00 2.36 N ATOM 0 H ASN A 96 12.510 -2.172 -7.202 1.00 0.71 H new ATOM 0 HA ASN A 96 13.652 -0.214 -9.089 1.00 0.70 H new ATOM 0 HB2 ASN A 96 14.625 0.108 -6.753 1.00 0.76 H new ATOM 0 HB3 ASN A 96 15.256 -1.522 -6.874 1.00 0.76 H new ATOM 0 HD21 ASN A 96 18.180 0.232 -8.050 1.00 2.36 H new ATOM 0 HD22 ASN A 96 17.398 -0.438 -6.613 1.00 2.36 H new ATOM 1611 N ASP A 97 14.841 -2.152 -10.304 1.00 0.64 N ATOM 1612 CA ASP A 97 15.260 -3.255 -11.178 1.00 0.59 C ATOM 1613 C ASP A 97 16.085 -4.310 -10.415 1.00 0.55 C ATOM 1614 O ASP A 97 16.017 -5.499 -10.718 1.00 0.55 O ATOM 1615 CB ASP A 97 16.075 -2.676 -12.344 1.00 0.59 C ATOM 1616 CG ASP A 97 15.240 -1.755 -13.244 1.00 1.20 C ATOM 1617 OD1 ASP A 97 15.010 -0.583 -12.858 1.00 1.97 O ATOM 1618 OD2 ASP A 97 14.807 -2.218 -14.325 1.00 2.65 O ATOM 0 H ASP A 97 15.191 -1.245 -10.613 1.00 0.64 H new ATOM 0 HA ASP A 97 14.371 -3.760 -11.555 1.00 0.59 H new ATOM 0 HB2 ASP A 97 16.924 -2.119 -11.948 1.00 0.59 H new ATOM 0 HB3 ASP A 97 16.480 -3.493 -12.941 1.00 0.59 H new ATOM 1623 N ASP A 98 16.829 -3.869 -9.394 1.00 0.54 N ATOM 1624 CA ASP A 98 17.565 -4.708 -8.447 1.00 0.56 C ATOM 1625 C ASP A 98 16.646 -5.443 -7.453 1.00 0.52 C ATOM 1626 O ASP A 98 16.841 -6.632 -7.202 1.00 0.56 O ATOM 1627 CB ASP A 98 18.533 -3.815 -7.666 1.00 0.63 C ATOM 1628 CG ASP A 98 19.687 -3.289 -8.535 1.00 1.49 C ATOM 1629 OD1 ASP A 98 20.694 -4.018 -8.698 1.00 2.26 O ATOM 1630 OD2 ASP A 98 19.593 -2.143 -9.035 1.00 2.64 O ATOM 0 H ASP A 98 16.938 -2.874 -9.199 1.00 0.54 H new ATOM 0 HA ASP A 98 18.091 -5.472 -9.019 1.00 0.56 H new ATOM 0 HB2 ASP A 98 17.985 -2.971 -7.247 1.00 0.63 H new ATOM 0 HB3 ASP A 98 18.943 -4.377 -6.827 1.00 0.63 H new ATOM 1635 N LEU A 99 15.626 -4.761 -6.907 1.00 0.49 N ATOM 1636 CA LEU A 99 14.626 -5.362 -6.010 1.00 0.50 C ATOM 1637 C LEU A 99 13.866 -6.466 -6.763 1.00 0.49 C ATOM 1638 O LEU A 99 13.714 -7.587 -6.279 1.00 0.63 O ATOM 1639 CB LEU A 99 13.656 -4.256 -5.520 1.00 0.64 C ATOM 1640 CG LEU A 99 12.984 -4.470 -4.142 1.00 0.61 C ATOM 1641 CD1 LEU A 99 12.480 -5.894 -3.882 1.00 1.80 C ATOM 1642 CD2 LEU A 99 13.925 -4.036 -3.013 1.00 1.50 C ATOM 0 H LEU A 99 15.471 -3.767 -7.078 1.00 0.49 H new ATOM 0 HA LEU A 99 15.113 -5.809 -5.143 1.00 0.50 H new ATOM 0 HB2 LEU A 99 14.205 -3.315 -5.487 1.00 0.64 H new ATOM 0 HB3 LEU A 99 12.870 -4.140 -6.266 1.00 0.64 H new ATOM 0 HG LEU A 99 12.094 -3.842 -4.162 1.00 0.61 H new ATOM 0 HD11 LEU A 99 12.026 -5.944 -2.892 1.00 1.80 H new ATOM 0 HD12 LEU A 99 11.739 -6.161 -4.635 1.00 1.80 H new ATOM 0 HD13 LEU A 99 13.316 -6.591 -3.933 1.00 1.80 H new ATOM 0 HD21 LEU A 99 13.436 -4.193 -2.051 1.00 1.50 H new ATOM 0 HD22 LEU A 99 14.841 -4.626 -3.056 1.00 1.50 H new ATOM 0 HD23 LEU A 99 14.168 -2.980 -3.128 1.00 1.50 H new ATOM 1654 N PHE A 100 13.466 -6.158 -7.998 1.00 0.47 N ATOM 1655 CA PHE A 100 12.750 -7.048 -8.902 1.00 0.50 C ATOM 1656 C PHE A 100 13.696 -7.889 -9.781 1.00 0.48 C ATOM 1657 O PHE A 100 13.300 -8.378 -10.837 1.00 0.47 O ATOM 1658 CB PHE A 100 11.731 -6.229 -9.714 1.00 0.60 C ATOM 1659 CG PHE A 100 10.613 -5.515 -8.957 1.00 0.54 C ATOM 1660 CD1 PHE A 100 10.358 -5.734 -7.583 1.00 1.57 C ATOM 1661 CD2 PHE A 100 9.771 -4.640 -9.673 1.00 1.37 C ATOM 1662 CE1 PHE A 100 9.294 -5.078 -6.941 1.00 1.51 C ATOM 1663 CE2 PHE A 100 8.691 -4.006 -9.039 1.00 1.44 C ATOM 1664 CZ PHE A 100 8.456 -4.218 -7.670 1.00 0.62 C ATOM 0 H PHE A 100 13.642 -5.241 -8.409 1.00 0.47 H new ATOM 0 HA PHE A 100 12.203 -7.785 -8.313 1.00 0.50 H new ATOM 0 HB2 PHE A 100 12.282 -5.478 -10.280 1.00 0.60 H new ATOM 0 HB3 PHE A 100 11.268 -6.898 -10.439 1.00 0.60 H new ATOM 0 HD1 PHE A 100 10.986 -6.411 -7.023 1.00 1.57 H new ATOM 0 HD2 PHE A 100 9.959 -4.455 -10.720 1.00 1.37 H new ATOM 0 HE1 PHE A 100 9.120 -5.235 -5.887 1.00 1.51 H new ATOM 0 HE2 PHE A 100 8.040 -3.355 -9.604 1.00 1.44 H new ATOM 0 HZ PHE A 100 7.633 -3.721 -7.179 1.00 0.62 H new ATOM 1674 N SER A 101 14.937 -8.110 -9.342 1.00 0.55 N ATOM 1675 CA SER A 101 15.869 -9.035 -10.003 1.00 0.70 C ATOM 1676 C SER A 101 15.400 -10.502 -9.873 1.00 0.79 C ATOM 1677 O SER A 101 15.529 -11.280 -10.822 1.00 0.99 O ATOM 1678 CB SER A 101 17.282 -8.816 -9.437 1.00 0.84 C ATOM 1679 OG SER A 101 18.236 -9.655 -10.074 1.00 1.10 O ATOM 0 H SER A 101 15.327 -7.654 -8.518 1.00 0.55 H new ATOM 0 HA SER A 101 15.891 -8.825 -11.072 1.00 0.70 H new ATOM 0 HB2 SER A 101 17.569 -7.773 -9.568 1.00 0.84 H new ATOM 0 HB3 SER A 101 17.280 -9.014 -8.365 1.00 0.84 H new ATOM 0 HG SER A 101 19.123 -9.490 -9.692 1.00 1.10 H new ATOM 1685 N GLU A 102 14.750 -10.871 -8.758 1.00 0.74 N ATOM 1686 CA GLU A 102 13.974 -12.118 -8.664 1.00 0.88 C ATOM 1687 C GLU A 102 12.590 -11.983 -9.329 1.00 0.81 C ATOM 1688 O GLU A 102 12.117 -12.909 -9.988 1.00 1.05 O ATOM 1689 CB GLU A 102 13.861 -12.593 -7.202 1.00 0.97 C ATOM 1690 CG GLU A 102 13.035 -11.699 -6.264 1.00 2.94 C ATOM 1691 CD GLU A 102 13.110 -12.219 -4.818 1.00 3.11 C ATOM 1692 OE1 GLU A 102 12.463 -13.247 -4.507 1.00 3.10 O ATOM 1693 OE2 GLU A 102 13.825 -11.610 -3.989 1.00 4.04 O ATOM 0 H GLU A 102 14.747 -10.317 -7.901 1.00 0.74 H new ATOM 0 HA GLU A 102 14.517 -12.884 -9.218 1.00 0.88 H new ATOM 0 HB2 GLU A 102 13.423 -13.591 -7.198 1.00 0.97 H new ATOM 0 HB3 GLU A 102 14.867 -12.684 -6.792 1.00 0.97 H new ATOM 0 HG2 GLU A 102 13.406 -10.675 -6.308 1.00 2.94 H new ATOM 0 HG3 GLU A 102 11.997 -11.676 -6.595 1.00 2.94 H new ATOM 1700 N ALA A 103 11.954 -10.812 -9.204 1.00 0.54 N ATOM 1701 CA ALA A 103 10.605 -10.529 -9.697 1.00 0.51 C ATOM 1702 C ALA A 103 10.573 -10.000 -11.149 1.00 0.45 C ATOM 1703 O ALA A 103 9.753 -9.152 -11.489 1.00 0.43 O ATOM 1704 CB ALA A 103 9.893 -9.635 -8.667 1.00 0.50 C ATOM 0 H ALA A 103 12.381 -10.010 -8.741 1.00 0.54 H new ATOM 0 HA ALA A 103 10.046 -11.461 -9.782 1.00 0.51 H new ATOM 0 HB1 ALA A 103 8.884 -9.411 -9.015 1.00 0.50 H new ATOM 0 HB2 ALA A 103 9.840 -10.154 -7.710 1.00 0.50 H new ATOM 0 HB3 ALA A 103 10.449 -8.706 -8.546 1.00 0.50 H new ATOM 1710 N GLN A 104 11.449 -10.508 -12.019 1.00 0.49 N ATOM 1711 CA GLN A 104 11.539 -10.122 -13.435 1.00 0.49 C ATOM 1712 C GLN A 104 10.224 -10.303 -14.228 1.00 0.46 C ATOM 1713 O GLN A 104 9.830 -9.347 -14.905 1.00 0.45 O ATOM 1714 CB GLN A 104 12.698 -10.882 -14.107 1.00 0.65 C ATOM 1715 CG GLN A 104 14.061 -10.234 -13.830 1.00 0.63 C ATOM 1716 CD GLN A 104 15.204 -11.076 -14.405 1.00 0.87 C ATOM 1717 OE1 GLN A 104 15.468 -11.084 -15.602 1.00 0.83 O ATOM 1718 NE2 GLN A 104 15.909 -11.833 -13.591 1.00 1.49 N ATOM 0 H GLN A 104 12.133 -11.217 -11.755 1.00 0.49 H new ATOM 0 HA GLN A 104 11.735 -9.050 -13.452 1.00 0.49 H new ATOM 0 HB2 GLN A 104 12.709 -11.912 -13.750 1.00 0.65 H new ATOM 0 HB3 GLN A 104 12.529 -10.920 -15.183 1.00 0.65 H new ATOM 0 HG2 GLN A 104 14.087 -9.235 -14.266 1.00 0.63 H new ATOM 0 HG3 GLN A 104 14.198 -10.116 -12.755 1.00 0.63 H new ATOM 0 HE21 GLN A 104 15.702 -11.838 -12.592 1.00 1.49 H new ATOM 0 HE22 GLN A 104 16.662 -12.414 -13.959 1.00 1.49 H new ATOM 1727 N PRO A 105 9.512 -11.452 -14.165 1.00 0.46 N ATOM 1728 CA PRO A 105 8.252 -11.627 -14.893 1.00 0.46 C ATOM 1729 C PRO A 105 7.075 -10.851 -14.281 1.00 0.44 C ATOM 1730 O PRO A 105 6.075 -10.645 -14.968 1.00 0.44 O ATOM 1731 CB PRO A 105 8.013 -13.139 -14.945 1.00 0.52 C ATOM 1732 CG PRO A 105 8.740 -13.674 -13.714 1.00 0.54 C ATOM 1733 CD PRO A 105 9.915 -12.715 -13.551 1.00 0.50 C ATOM 0 HA PRO A 105 8.324 -11.205 -15.895 1.00 0.46 H new ATOM 0 HB2 PRO A 105 6.949 -13.376 -14.914 1.00 0.52 H new ATOM 0 HB3 PRO A 105 8.410 -13.574 -15.862 1.00 0.52 H new ATOM 0 HG2 PRO A 105 8.096 -13.673 -12.835 1.00 0.54 H new ATOM 0 HG3 PRO A 105 9.077 -14.700 -13.861 1.00 0.54 H new ATOM 0 HD2 PRO A 105 10.156 -12.574 -12.498 1.00 0.50 H new ATOM 0 HD3 PRO A 105 10.809 -13.112 -14.032 1.00 0.50 H new ATOM 1741 N LEU A 106 7.197 -10.369 -13.035 1.00 0.44 N ATOM 1742 CA LEU A 106 6.296 -9.367 -12.452 1.00 0.42 C ATOM 1743 C LEU A 106 6.615 -7.991 -13.030 1.00 0.39 C ATOM 1744 O LEU A 106 5.715 -7.312 -13.513 1.00 0.40 O ATOM 1745 CB LEU A 106 6.388 -9.459 -10.915 1.00 0.48 C ATOM 1746 CG LEU A 106 5.805 -8.308 -10.062 1.00 0.43 C ATOM 1747 CD1 LEU A 106 5.549 -8.829 -8.637 1.00 1.78 C ATOM 1748 CD2 LEU A 106 6.746 -7.092 -9.980 1.00 1.68 C ATOM 0 H LEU A 106 7.934 -10.669 -12.397 1.00 0.44 H new ATOM 0 HA LEU A 106 5.254 -9.555 -12.712 1.00 0.42 H new ATOM 0 HB2 LEU A 106 5.891 -10.380 -10.610 1.00 0.48 H new ATOM 0 HB3 LEU A 106 7.441 -9.563 -10.653 1.00 0.48 H new ATOM 0 HG LEU A 106 4.883 -7.979 -10.542 1.00 0.43 H new ATOM 0 HD11 LEU A 106 5.138 -8.027 -8.025 1.00 1.78 H new ATOM 0 HD12 LEU A 106 4.841 -9.657 -8.674 1.00 1.78 H new ATOM 0 HD13 LEU A 106 6.487 -9.173 -8.201 1.00 1.78 H new ATOM 0 HD21 LEU A 106 6.285 -6.316 -9.369 1.00 1.68 H new ATOM 0 HD22 LEU A 106 7.692 -7.394 -9.530 1.00 1.68 H new ATOM 0 HD23 LEU A 106 6.928 -6.705 -10.982 1.00 1.68 H new ATOM 1760 N TRP A 107 7.887 -7.596 -13.037 1.00 0.40 N ATOM 1761 CA TRP A 107 8.355 -6.286 -13.482 1.00 0.41 C ATOM 1762 C TRP A 107 8.056 -6.055 -14.969 1.00 0.40 C ATOM 1763 O TRP A 107 7.565 -4.990 -15.335 1.00 0.39 O ATOM 1764 CB TRP A 107 9.852 -6.207 -13.153 1.00 0.50 C ATOM 1765 CG TRP A 107 10.627 -4.960 -13.482 1.00 0.57 C ATOM 1766 CD1 TRP A 107 11.972 -4.947 -13.623 1.00 0.72 C ATOM 1767 CD2 TRP A 107 10.197 -3.572 -13.711 1.00 0.92 C ATOM 1768 NE1 TRP A 107 12.403 -3.680 -13.949 1.00 1.00 N ATOM 1769 CE2 TRP A 107 11.352 -2.801 -14.044 1.00 1.11 C ATOM 1770 CE3 TRP A 107 8.968 -2.870 -13.692 1.00 1.31 C ATOM 1771 CZ2 TRP A 107 11.293 -1.449 -14.406 1.00 1.53 C ATOM 1772 CZ3 TRP A 107 8.890 -1.516 -14.074 1.00 1.72 C ATOM 1773 CH2 TRP A 107 10.047 -0.813 -14.450 1.00 1.80 C ATOM 0 H TRP A 107 8.646 -8.201 -12.722 1.00 0.40 H new ATOM 0 HA TRP A 107 7.826 -5.486 -12.964 1.00 0.41 H new ATOM 0 HB2 TRP A 107 9.959 -6.383 -12.083 1.00 0.50 H new ATOM 0 HB3 TRP A 107 10.341 -7.037 -13.663 1.00 0.50 H new ATOM 0 HD1 TRP A 107 12.615 -5.806 -13.498 1.00 0.72 H new ATOM 0 HE1 TRP A 107 13.379 -3.427 -14.101 1.00 1.00 H new ATOM 0 HE3 TRP A 107 8.071 -3.383 -13.378 1.00 1.31 H new ATOM 0 HZ2 TRP A 107 12.195 -0.906 -14.647 1.00 1.53 H new ATOM 0 HZ3 TRP A 107 7.933 -1.015 -14.078 1.00 1.72 H new ATOM 0 HH2 TRP A 107 9.975 0.215 -14.772 1.00 1.80 H new ATOM 1784 N GLU A 108 8.270 -7.056 -15.827 1.00 0.43 N ATOM 1785 CA GLU A 108 7.993 -6.930 -17.263 1.00 0.47 C ATOM 1786 C GLU A 108 6.483 -6.829 -17.550 1.00 0.45 C ATOM 1787 O GLU A 108 6.048 -5.990 -18.342 1.00 0.49 O ATOM 1788 CB GLU A 108 8.648 -8.092 -18.028 1.00 0.53 C ATOM 1789 CG GLU A 108 8.588 -7.870 -19.549 1.00 0.66 C ATOM 1790 CD GLU A 108 9.816 -8.454 -20.264 1.00 1.72 C ATOM 1791 OE1 GLU A 108 9.892 -9.693 -20.443 1.00 3.00 O ATOM 1792 OE2 GLU A 108 10.711 -7.672 -20.667 1.00 2.19 O ATOM 0 H GLU A 108 8.636 -7.967 -15.552 1.00 0.43 H new ATOM 0 HA GLU A 108 8.432 -5.997 -17.617 1.00 0.47 H new ATOM 0 HB2 GLU A 108 9.687 -8.195 -17.715 1.00 0.53 H new ATOM 0 HB3 GLU A 108 8.145 -9.025 -17.775 1.00 0.53 H new ATOM 0 HG2 GLU A 108 7.684 -8.330 -19.947 1.00 0.66 H new ATOM 0 HG3 GLU A 108 8.521 -6.802 -19.757 1.00 0.66 H new ATOM 1799 N ALA A 109 5.669 -7.644 -16.875 1.00 0.43 N ATOM 1800 CA ALA A 109 4.209 -7.572 -16.941 1.00 0.43 C ATOM 1801 C ALA A 109 3.652 -6.243 -16.407 1.00 0.39 C ATOM 1802 O ALA A 109 2.793 -5.628 -17.037 1.00 0.41 O ATOM 1803 CB ALA A 109 3.658 -8.786 -16.212 1.00 0.45 C ATOM 0 H ALA A 109 6.011 -8.382 -16.259 1.00 0.43 H new ATOM 0 HA ALA A 109 3.884 -7.592 -17.981 1.00 0.43 H new ATOM 0 HB1 ALA A 109 2.569 -8.765 -16.242 1.00 0.45 H new ATOM 0 HB2 ALA A 109 4.016 -9.695 -16.696 1.00 0.45 H new ATOM 0 HB3 ALA A 109 3.993 -8.771 -15.175 1.00 0.45 H new ATOM 1809 N ALA A 110 4.160 -5.764 -15.275 1.00 0.35 N ATOM 1810 CA ALA A 110 3.773 -4.493 -14.674 1.00 0.35 C ATOM 1811 C ALA A 110 4.107 -3.314 -15.603 1.00 0.39 C ATOM 1812 O ALA A 110 3.244 -2.484 -15.894 1.00 0.42 O ATOM 1813 CB ALA A 110 4.492 -4.407 -13.321 1.00 0.34 C ATOM 0 H ALA A 110 4.870 -6.262 -14.738 1.00 0.35 H new ATOM 0 HA ALA A 110 2.695 -4.438 -14.521 1.00 0.35 H new ATOM 0 HB1 ALA A 110 4.233 -3.469 -12.830 1.00 0.34 H new ATOM 0 HB2 ALA A 110 4.185 -5.242 -12.692 1.00 0.34 H new ATOM 0 HB3 ALA A 110 5.570 -4.449 -13.478 1.00 0.34 H new ATOM 1819 N ARG A 111 5.324 -3.310 -16.159 1.00 0.42 N ATOM 1820 CA ARG A 111 5.801 -2.358 -17.170 1.00 0.51 C ATOM 1821 C ARG A 111 4.869 -2.314 -18.389 1.00 0.53 C ATOM 1822 O ARG A 111 4.512 -1.228 -18.849 1.00 0.58 O ATOM 1823 CB ARG A 111 7.237 -2.776 -17.543 1.00 0.67 C ATOM 1824 CG ARG A 111 7.880 -2.021 -18.716 1.00 1.04 C ATOM 1825 CD ARG A 111 9.188 -2.694 -19.161 1.00 1.41 C ATOM 1826 NE ARG A 111 10.228 -2.658 -18.112 1.00 2.72 N ATOM 1827 CZ ARG A 111 11.531 -2.463 -18.294 1.00 3.61 C ATOM 1828 NH1 ARG A 111 12.052 -2.233 -19.482 1.00 3.38 N ATOM 1829 NH2 ARG A 111 12.343 -2.497 -17.262 1.00 5.47 N ATOM 0 H ARG A 111 6.033 -3.998 -15.907 1.00 0.42 H new ATOM 0 HA ARG A 111 5.801 -1.343 -16.774 1.00 0.51 H new ATOM 0 HB2 ARG A 111 7.870 -2.648 -16.665 1.00 0.67 H new ATOM 0 HB3 ARG A 111 7.233 -3.840 -17.781 1.00 0.67 H new ATOM 0 HG2 ARG A 111 7.184 -1.985 -19.554 1.00 1.04 H new ATOM 0 HG3 ARG A 111 8.080 -0.990 -18.423 1.00 1.04 H new ATOM 0 HD2 ARG A 111 8.986 -3.730 -19.432 1.00 1.41 H new ATOM 0 HD3 ARG A 111 9.562 -2.197 -20.056 1.00 1.41 H new ATOM 0 HE ARG A 111 9.915 -2.797 -17.151 1.00 2.72 H new ATOM 0 HH11 ARG A 111 11.450 -2.199 -20.305 1.00 3.38 H new ATOM 0 HH12 ARG A 111 13.057 -2.089 -19.579 1.00 3.38 H new ATOM 0 HH21 ARG A 111 11.973 -2.672 -16.328 1.00 5.47 H new ATOM 0 HH22 ARG A 111 13.343 -2.348 -17.395 1.00 5.47 H new ATOM 1843 N ALA A 112 4.433 -3.479 -18.877 1.00 0.52 N ATOM 1844 CA ALA A 112 3.520 -3.613 -20.016 1.00 0.55 C ATOM 1845 C ALA A 112 2.113 -3.067 -19.710 1.00 0.55 C ATOM 1846 O ALA A 112 1.509 -2.389 -20.541 1.00 0.62 O ATOM 1847 CB ALA A 112 3.463 -5.098 -20.393 1.00 0.56 C ATOM 0 H ALA A 112 4.712 -4.377 -18.481 1.00 0.52 H new ATOM 0 HA ALA A 112 3.894 -3.017 -20.848 1.00 0.55 H new ATOM 0 HB1 ALA A 112 2.790 -5.233 -21.240 1.00 0.56 H new ATOM 0 HB2 ALA A 112 4.461 -5.443 -20.664 1.00 0.56 H new ATOM 0 HB3 ALA A 112 3.097 -5.675 -19.544 1.00 0.56 H new ATOM 1853 N HIS A 113 1.599 -3.347 -18.514 1.00 0.49 N ATOM 1854 CA HIS A 113 0.298 -2.865 -18.033 1.00 0.50 C ATOM 1855 C HIS A 113 0.264 -1.362 -17.665 1.00 0.52 C ATOM 1856 O HIS A 113 -0.821 -0.811 -17.461 1.00 0.54 O ATOM 1857 CB HIS A 113 -0.179 -3.804 -16.917 1.00 0.46 C ATOM 1858 CG HIS A 113 -0.595 -5.147 -17.475 1.00 0.47 C ATOM 1859 ND1 HIS A 113 0.106 -6.324 -17.374 1.00 0.49 N ATOM 1860 CD2 HIS A 113 -1.721 -5.418 -18.207 1.00 0.52 C ATOM 1861 CE1 HIS A 113 -0.575 -7.281 -18.025 1.00 0.51 C ATOM 1862 NE2 HIS A 113 -1.706 -6.776 -18.554 1.00 0.52 N ATOM 0 H HIS A 113 2.085 -3.930 -17.833 1.00 0.49 H new ATOM 0 HA HIS A 113 -0.416 -2.905 -18.856 1.00 0.50 H new ATOM 0 HB2 HIS A 113 0.619 -3.941 -16.187 1.00 0.46 H new ATOM 0 HB3 HIS A 113 -1.018 -3.350 -16.390 1.00 0.46 H new ATOM 0 HD1 HIS A 113 0.993 -6.450 -16.887 1.00 0.49 H new ATOM 0 HD2 HIS A 113 -2.489 -4.707 -18.472 1.00 0.52 H new ATOM 0 HE1 HIS A 113 -0.260 -8.310 -18.112 1.00 0.51 H new ATOM 1870 N GLY A 114 1.428 -0.695 -17.592 1.00 0.53 N ATOM 1871 CA GLY A 114 1.567 0.763 -17.403 1.00 0.59 C ATOM 1872 C GLY A 114 2.162 1.187 -16.057 1.00 0.58 C ATOM 1873 O GLY A 114 2.311 2.383 -15.802 1.00 0.65 O ATOM 0 H GLY A 114 2.328 -1.169 -17.665 1.00 0.53 H new ATOM 0 HA2 GLY A 114 2.194 1.160 -18.202 1.00 0.59 H new ATOM 0 HA3 GLY A 114 0.585 1.223 -17.510 1.00 0.59 H new ATOM 1877 N LEU A 115 2.534 0.224 -15.210 1.00 0.53 N ATOM 1878 CA LEU A 115 3.062 0.430 -13.864 1.00 0.54 C ATOM 1879 C LEU A 115 4.579 0.684 -13.932 1.00 0.61 C ATOM 1880 O LEU A 115 5.387 -0.198 -13.629 1.00 0.96 O ATOM 1881 CB LEU A 115 2.711 -0.780 -12.972 1.00 0.49 C ATOM 1882 CG LEU A 115 1.216 -1.095 -12.729 1.00 0.52 C ATOM 1883 CD1 LEU A 115 0.517 -1.825 -13.887 1.00 1.02 C ATOM 1884 CD2 LEU A 115 1.113 -1.985 -11.485 1.00 0.94 C ATOM 0 H LEU A 115 2.472 -0.764 -15.457 1.00 0.53 H new ATOM 0 HA LEU A 115 2.603 1.310 -13.415 1.00 0.54 H new ATOM 0 HB2 LEU A 115 3.171 -1.664 -13.413 1.00 0.49 H new ATOM 0 HB3 LEU A 115 3.182 -0.627 -12.001 1.00 0.49 H new ATOM 0 HG LEU A 115 0.714 -0.134 -12.617 1.00 0.52 H new ATOM 0 HD11 LEU A 115 -0.526 -2.004 -13.627 1.00 1.02 H new ATOM 0 HD12 LEU A 115 0.567 -1.212 -14.787 1.00 1.02 H new ATOM 0 HD13 LEU A 115 1.014 -2.778 -14.069 1.00 1.02 H new ATOM 0 HD21 LEU A 115 0.067 -2.221 -11.292 1.00 0.94 H new ATOM 0 HD22 LEU A 115 1.669 -2.908 -11.651 1.00 0.94 H new ATOM 0 HD23 LEU A 115 1.530 -1.459 -10.626 1.00 0.94 H new ATOM 1896 N ARG A 116 4.978 1.874 -14.401 1.00 0.62 N ATOM 1897 CA ARG A 116 6.375 2.169 -14.758 1.00 0.61 C ATOM 1898 C ARG A 116 7.328 2.220 -13.558 1.00 0.56 C ATOM 1899 O ARG A 116 8.477 1.823 -13.716 1.00 0.63 O ATOM 1900 CB ARG A 116 6.473 3.466 -15.580 1.00 0.68 C ATOM 1901 CG ARG A 116 5.724 3.432 -16.925 1.00 0.89 C ATOM 1902 CD ARG A 116 6.088 2.199 -17.767 1.00 1.11 C ATOM 1903 NE ARG A 116 5.751 2.375 -19.190 1.00 1.91 N ATOM 1904 CZ ARG A 116 6.533 2.899 -20.130 1.00 2.43 C ATOM 1905 NH1 ARG A 116 7.732 3.377 -19.861 1.00 3.31 N ATOM 1906 NH2 ARG A 116 6.115 2.947 -21.376 1.00 3.25 N ATOM 0 H ARG A 116 4.343 2.659 -14.544 1.00 0.62 H new ATOM 0 HA ARG A 116 6.703 1.328 -15.369 1.00 0.61 H new ATOM 0 HB2 ARG A 116 6.082 4.290 -14.982 1.00 0.68 H new ATOM 0 HB3 ARG A 116 7.524 3.681 -15.770 1.00 0.68 H new ATOM 0 HG2 ARG A 116 4.650 3.438 -16.740 1.00 0.89 H new ATOM 0 HG3 ARG A 116 5.955 4.335 -17.490 1.00 0.89 H new ATOM 0 HD2 ARG A 116 7.155 1.998 -17.671 1.00 1.11 H new ATOM 0 HD3 ARG A 116 5.563 1.327 -17.377 1.00 1.11 H new ATOM 0 HE ARG A 116 4.825 2.064 -19.484 1.00 1.91 H new ATOM 0 HH11 ARG A 116 8.088 3.352 -18.906 1.00 3.31 H new ATOM 0 HH12 ARG A 116 8.303 3.771 -20.608 1.00 3.31 H new ATOM 0 HH21 ARG A 116 5.194 2.583 -21.619 1.00 3.25 H new ATOM 0 HH22 ARG A 116 6.712 3.348 -22.099 1.00 3.25 H new ATOM 1920 N ARG A 117 6.874 2.657 -12.380 1.00 0.54 N ATOM 1921 CA ARG A 117 7.521 2.480 -11.063 1.00 0.51 C ATOM 1922 C ARG A 117 6.426 2.358 -9.993 1.00 0.63 C ATOM 1923 O ARG A 117 5.240 2.521 -10.285 1.00 0.78 O ATOM 1924 CB ARG A 117 8.503 3.629 -10.703 1.00 0.54 C ATOM 1925 CG ARG A 117 9.619 3.960 -11.707 1.00 0.70 C ATOM 1926 CD ARG A 117 10.595 2.815 -12.025 1.00 0.64 C ATOM 1927 NE ARG A 117 11.866 2.872 -11.283 1.00 0.96 N ATOM 1928 CZ ARG A 117 12.866 2.008 -11.454 1.00 1.33 C ATOM 1929 NH1 ARG A 117 12.747 0.956 -12.237 1.00 2.19 N ATOM 1930 NH2 ARG A 117 14.019 2.189 -10.852 1.00 1.69 N ATOM 0 H ARG A 117 5.997 3.173 -12.308 1.00 0.54 H new ATOM 0 HA ARG A 117 8.124 1.573 -11.106 1.00 0.51 H new ATOM 0 HB2 ARG A 117 7.916 4.534 -10.545 1.00 0.54 H new ATOM 0 HB3 ARG A 117 8.972 3.382 -9.750 1.00 0.54 H new ATOM 0 HG2 ARG A 117 9.158 4.288 -12.639 1.00 0.70 H new ATOM 0 HG3 ARG A 117 10.191 4.803 -11.320 1.00 0.70 H new ATOM 0 HD2 ARG A 117 10.105 1.866 -11.808 1.00 0.64 H new ATOM 0 HD3 ARG A 117 10.812 2.825 -13.093 1.00 0.64 H new ATOM 0 HE ARG A 117 11.988 3.617 -10.597 1.00 0.96 H new ATOM 0 HH11 ARG A 117 11.872 0.785 -12.732 1.00 2.19 H new ATOM 0 HH12 ARG A 117 13.530 0.312 -12.348 1.00 2.19 H new ATOM 0 HH21 ARG A 117 14.156 2.998 -10.246 1.00 1.69 H new ATOM 0 HH22 ARG A 117 14.777 1.521 -10.991 1.00 1.69 H new ATOM 1944 N GLY A 118 6.810 2.099 -8.744 1.00 0.62 N ATOM 1945 CA GLY A 118 5.896 2.152 -7.600 1.00 0.63 C ATOM 1946 C GLY A 118 6.588 2.381 -6.260 1.00 0.62 C ATOM 1947 O GLY A 118 7.814 2.425 -6.169 1.00 0.71 O ATOM 0 H GLY A 118 7.766 1.846 -8.494 1.00 0.62 H new ATOM 0 HA2 GLY A 118 5.172 2.950 -7.764 1.00 0.63 H new ATOM 0 HA3 GLY A 118 5.336 1.218 -7.553 1.00 0.63 H new ATOM 1951 N VAL A 119 5.764 2.570 -5.234 1.00 0.55 N ATOM 1952 CA VAL A 119 6.153 2.959 -3.868 1.00 0.53 C ATOM 1953 C VAL A 119 5.326 2.129 -2.880 1.00 0.46 C ATOM 1954 O VAL A 119 4.122 1.983 -3.083 1.00 0.43 O ATOM 1955 CB VAL A 119 5.970 4.486 -3.641 1.00 0.64 C ATOM 1956 CG1 VAL A 119 6.892 5.288 -4.581 1.00 0.87 C ATOM 1957 CG2 VAL A 119 4.536 4.995 -3.861 1.00 0.75 C ATOM 0 H VAL A 119 4.755 2.452 -5.330 1.00 0.55 H new ATOM 0 HA VAL A 119 7.212 2.756 -3.711 1.00 0.53 H new ATOM 0 HB VAL A 119 6.223 4.639 -2.592 1.00 0.64 H new ATOM 0 HG11 VAL A 119 6.750 6.355 -4.407 1.00 0.87 H new ATOM 0 HG12 VAL A 119 7.931 5.024 -4.384 1.00 0.87 H new ATOM 0 HG13 VAL A 119 6.648 5.053 -5.617 1.00 0.87 H new ATOM 0 HG21 VAL A 119 4.500 6.069 -3.681 1.00 0.75 H new ATOM 0 HG22 VAL A 119 4.230 4.788 -4.886 1.00 0.75 H new ATOM 0 HG23 VAL A 119 3.860 4.489 -3.171 1.00 0.75 H new ATOM 1967 N THR A 120 5.964 1.550 -1.852 1.00 0.49 N ATOM 1968 CA THR A 120 5.377 0.501 -0.996 1.00 0.43 C ATOM 1969 C THR A 120 5.584 0.797 0.485 1.00 0.45 C ATOM 1970 O THR A 120 6.621 1.320 0.890 1.00 0.50 O ATOM 1971 CB THR A 120 6.009 -0.846 -1.367 1.00 0.39 C ATOM 1972 OG1 THR A 120 5.537 -1.224 -2.633 1.00 0.45 O ATOM 1973 CG2 THR A 120 5.687 -1.980 -0.406 1.00 0.44 C ATOM 0 H THR A 120 6.917 1.799 -1.586 1.00 0.49 H new ATOM 0 HA THR A 120 4.301 0.471 -1.166 1.00 0.43 H new ATOM 0 HB THR A 120 7.088 -0.693 -1.335 1.00 0.39 H new ATOM 0 HG1 THR A 120 5.803 -2.149 -2.818 1.00 0.45 H new ATOM 0 HG21 THR A 120 6.175 -2.894 -0.745 1.00 0.44 H new ATOM 0 HG22 THR A 120 6.047 -1.725 0.591 1.00 0.44 H new ATOM 0 HG23 THR A 120 4.608 -2.135 -0.374 1.00 0.44 H new ATOM 1981 N GLN A 121 4.612 0.411 1.312 1.00 0.46 N ATOM 1982 CA GLN A 121 4.685 0.554 2.763 1.00 0.46 C ATOM 1983 C GLN A 121 3.923 -0.573 3.486 1.00 0.47 C ATOM 1984 O GLN A 121 2.898 -1.051 3.000 1.00 0.55 O ATOM 1985 CB GLN A 121 4.127 1.942 3.136 1.00 0.53 C ATOM 1986 CG GLN A 121 4.731 2.512 4.425 1.00 1.32 C ATOM 1987 CD GLN A 121 6.159 3.034 4.279 1.00 2.05 C ATOM 1988 OE1 GLN A 121 6.487 3.793 3.384 1.00 3.29 O ATOM 1989 NE2 GLN A 121 7.077 2.651 5.137 1.00 2.92 N ATOM 0 H GLN A 121 3.743 -0.014 0.988 1.00 0.46 H new ATOM 0 HA GLN A 121 5.723 0.473 3.087 1.00 0.46 H new ATOM 0 HB2 GLN A 121 4.318 2.635 2.316 1.00 0.53 H new ATOM 0 HB3 GLN A 121 3.045 1.872 3.250 1.00 0.53 H new ATOM 0 HG2 GLN A 121 4.096 3.323 4.781 1.00 1.32 H new ATOM 0 HG3 GLN A 121 4.718 1.737 5.191 1.00 1.32 H new ATOM 0 HE21 GLN A 121 6.832 2.016 5.897 1.00 2.92 H new ATOM 0 HE22 GLN A 121 8.035 2.989 5.044 1.00 2.92 H new ATOM 1998 N TYR A 122 4.401 -0.955 4.678 1.00 0.58 N ATOM 1999 CA TYR A 122 3.710 -1.851 5.624 1.00 0.65 C ATOM 2000 C TYR A 122 3.689 -1.287 7.058 1.00 0.63 C ATOM 2001 O TYR A 122 4.480 -0.401 7.395 1.00 0.71 O ATOM 2002 CB TYR A 122 4.302 -3.276 5.577 1.00 1.08 C ATOM 2003 CG TYR A 122 5.140 -3.746 6.760 1.00 0.66 C ATOM 2004 CD1 TYR A 122 6.242 -2.995 7.216 1.00 2.08 C ATOM 2005 CD2 TYR A 122 4.783 -4.932 7.436 1.00 1.94 C ATOM 2006 CE1 TYR A 122 6.943 -3.396 8.370 1.00 2.57 C ATOM 2007 CE2 TYR A 122 5.506 -5.361 8.565 1.00 1.61 C ATOM 2008 CZ TYR A 122 6.580 -4.581 9.048 1.00 1.24 C ATOM 2009 OH TYR A 122 7.262 -4.954 10.167 1.00 1.78 O ATOM 0 H TYR A 122 5.308 -0.641 5.024 1.00 0.58 H new ATOM 0 HA TYR A 122 2.670 -1.914 5.303 1.00 0.65 H new ATOM 0 HB2 TYR A 122 3.476 -3.976 5.455 1.00 1.08 H new ATOM 0 HB3 TYR A 122 4.918 -3.351 4.681 1.00 1.08 H new ATOM 0 HD1 TYR A 122 6.550 -2.110 6.679 1.00 2.08 H new ATOM 0 HD2 TYR A 122 3.946 -5.517 7.083 1.00 1.94 H new ATOM 0 HE1 TYR A 122 7.761 -2.795 8.738 1.00 2.57 H new ATOM 0 HE2 TYR A 122 5.240 -6.283 9.060 1.00 1.61 H new ATOM 0 HH TYR A 122 6.888 -5.791 10.514 1.00 1.78 H new ATOM 2019 N LEU A 123 2.813 -1.827 7.914 1.00 0.62 N ATOM 2020 CA LEU A 123 2.970 -1.756 9.373 1.00 0.62 C ATOM 2021 C LEU A 123 2.468 -3.055 10.030 1.00 0.77 C ATOM 2022 O LEU A 123 1.831 -3.882 9.379 1.00 0.98 O ATOM 2023 CB LEU A 123 2.284 -0.489 9.937 1.00 0.63 C ATOM 2024 CG LEU A 123 3.059 0.158 11.108 1.00 0.99 C ATOM 2025 CD1 LEU A 123 4.281 0.943 10.605 1.00 1.89 C ATOM 2026 CD2 LEU A 123 2.146 1.101 11.901 1.00 1.79 C ATOM 0 H LEU A 123 1.975 -2.326 7.615 1.00 0.62 H new ATOM 0 HA LEU A 123 4.029 -1.668 9.617 1.00 0.62 H new ATOM 0 HB2 LEU A 123 2.173 0.242 9.136 1.00 0.63 H new ATOM 0 HB3 LEU A 123 1.280 -0.748 10.274 1.00 0.63 H new ATOM 0 HG LEU A 123 3.403 -0.649 11.755 1.00 0.99 H new ATOM 0 HD11 LEU A 123 4.804 1.385 11.453 1.00 1.89 H new ATOM 0 HD12 LEU A 123 4.954 0.269 10.076 1.00 1.89 H new ATOM 0 HD13 LEU A 123 3.953 1.733 9.929 1.00 1.89 H new ATOM 0 HD21 LEU A 123 2.708 1.547 12.721 1.00 1.79 H new ATOM 0 HD22 LEU A 123 1.777 1.888 11.244 1.00 1.79 H new ATOM 0 HD23 LEU A 123 1.303 0.539 12.303 1.00 1.79 H new ATOM 2038 N MET A 124 2.767 -3.237 11.318 1.00 0.83 N ATOM 2039 CA MET A 124 2.511 -4.463 12.085 1.00 0.96 C ATOM 2040 C MET A 124 2.033 -4.093 13.497 1.00 1.04 C ATOM 2041 O MET A 124 2.700 -3.300 14.170 1.00 1.16 O ATOM 2042 CB MET A 124 3.827 -5.270 12.117 1.00 1.13 C ATOM 2043 CG MET A 124 3.625 -6.762 12.388 1.00 1.40 C ATOM 2044 SD MET A 124 3.057 -7.216 14.042 1.00 1.32 S ATOM 2045 CE MET A 124 1.978 -8.588 13.564 1.00 1.52 C ATOM 0 H MET A 124 3.210 -2.509 11.878 1.00 0.83 H new ATOM 0 HA MET A 124 1.728 -5.068 11.628 1.00 0.96 H new ATOM 0 HB2 MET A 124 4.341 -5.149 11.163 1.00 1.13 H new ATOM 0 HB3 MET A 124 4.479 -4.855 12.885 1.00 1.13 H new ATOM 0 HG2 MET A 124 2.906 -7.145 11.664 1.00 1.40 H new ATOM 0 HG3 MET A 124 4.569 -7.273 12.200 1.00 1.40 H new ATOM 0 HE1 MET A 124 1.519 -9.017 14.455 1.00 1.52 H new ATOM 0 HE2 MET A 124 1.199 -8.222 12.895 1.00 1.52 H new ATOM 0 HE3 MET A 124 2.565 -9.352 13.054 1.00 1.52 H new ATOM 2055 N LEU A 125 0.893 -4.634 13.951 1.00 1.07 N ATOM 2056 CA LEU A 125 0.347 -4.358 15.292 1.00 1.17 C ATOM 2057 C LEU A 125 0.559 -5.558 16.240 1.00 1.26 C ATOM 2058 O LEU A 125 0.205 -6.680 15.862 1.00 1.28 O ATOM 2059 CB LEU A 125 -1.154 -4.006 15.218 1.00 1.39 C ATOM 2060 CG LEU A 125 -1.537 -2.814 14.316 1.00 1.02 C ATOM 2061 CD1 LEU A 125 -3.023 -2.486 14.533 1.00 2.00 C ATOM 2062 CD2 LEU A 125 -0.706 -1.548 14.574 1.00 2.18 C ATOM 0 H LEU A 125 0.322 -5.275 13.400 1.00 1.07 H new ATOM 0 HA LEU A 125 0.888 -3.501 15.692 1.00 1.17 H new ATOM 0 HB2 LEU A 125 -1.694 -4.886 14.869 1.00 1.39 H new ATOM 0 HB3 LEU A 125 -1.506 -3.796 16.228 1.00 1.39 H new ATOM 0 HG LEU A 125 -1.333 -3.118 13.289 1.00 1.02 H new ATOM 0 HD11 LEU A 125 -3.306 -1.645 13.901 1.00 2.00 H new ATOM 0 HD12 LEU A 125 -3.629 -3.354 14.274 1.00 2.00 H new ATOM 0 HD13 LEU A 125 -3.189 -2.226 15.578 1.00 2.00 H new ATOM 0 HD21 LEU A 125 -1.034 -0.755 13.902 1.00 2.18 H new ATOM 0 HD22 LEU A 125 -0.842 -1.228 15.607 1.00 2.18 H new ATOM 0 HD23 LEU A 125 0.348 -1.762 14.396 1.00 2.18 H new ATOM 2074 N PRO A 126 1.055 -5.342 17.481 1.00 1.47 N ATOM 2075 CA PRO A 126 1.369 -6.416 18.428 1.00 1.74 C ATOM 2076 C PRO A 126 0.125 -7.137 18.969 1.00 1.82 C ATOM 2077 O PRO A 126 0.227 -8.291 19.384 1.00 2.06 O ATOM 2078 CB PRO A 126 2.153 -5.739 19.561 1.00 2.02 C ATOM 2079 CG PRO A 126 1.618 -4.308 19.558 1.00 1.88 C ATOM 2080 CD PRO A 126 1.386 -4.048 18.072 1.00 1.56 C ATOM 0 HA PRO A 126 1.941 -7.201 17.933 1.00 1.74 H new ATOM 0 HB2 PRO A 126 1.980 -6.230 20.518 1.00 2.02 H new ATOM 0 HB3 PRO A 126 3.227 -5.766 19.378 1.00 2.02 H new ATOM 0 HG2 PRO A 126 0.698 -4.217 20.135 1.00 1.88 H new ATOM 0 HG3 PRO A 126 2.333 -3.606 19.986 1.00 1.88 H new ATOM 0 HD2 PRO A 126 0.577 -3.333 17.923 1.00 1.56 H new ATOM 0 HD3 PRO A 126 2.276 -3.623 17.607 1.00 1.56 H new ATOM 2088 N GLU A 127 -1.049 -6.489 18.950 1.00 1.78 N ATOM 2089 CA GLU A 127 -2.323 -7.084 19.372 1.00 2.06 C ATOM 2090 C GLU A 127 -2.790 -8.213 18.427 1.00 2.19 C ATOM 2091 O GLU A 127 -3.387 -9.179 18.912 1.00 3.12 O ATOM 2092 CB GLU A 127 -3.368 -5.959 19.480 1.00 2.26 C ATOM 2093 CG GLU A 127 -4.712 -6.431 20.047 1.00 2.82 C ATOM 2094 CD GLU A 127 -5.614 -5.243 20.417 1.00 3.04 C ATOM 2095 OE1 GLU A 127 -6.033 -4.485 19.510 1.00 3.27 O ATOM 2096 OE2 GLU A 127 -5.920 -5.062 21.620 1.00 3.93 O ATOM 0 H GLU A 127 -1.140 -5.523 18.636 1.00 1.78 H new ATOM 0 HA GLU A 127 -2.190 -7.559 20.344 1.00 2.06 H new ATOM 0 HB2 GLU A 127 -2.973 -5.165 20.114 1.00 2.26 H new ATOM 0 HB3 GLU A 127 -3.530 -5.527 18.492 1.00 2.26 H new ATOM 0 HG2 GLU A 127 -5.218 -7.059 19.313 1.00 2.82 H new ATOM 0 HG3 GLU A 127 -4.540 -7.047 20.929 1.00 2.82 H new ATOM 2103 N ARG A 128 -2.474 -8.079 17.121 1.00 1.75 N ATOM 2104 CA ARG A 128 -2.668 -8.971 15.951 1.00 1.94 C ATOM 2105 C ARG A 128 -3.342 -8.234 14.787 1.00 1.20 C ATOM 2106 O ARG A 128 -4.570 -8.226 14.683 1.00 2.21 O ATOM 2107 CB ARG A 128 -3.429 -10.284 16.231 1.00 3.04 C ATOM 2108 CG ARG A 128 -2.549 -11.335 16.919 1.00 4.22 C ATOM 2109 CD ARG A 128 -3.430 -12.377 17.616 1.00 4.81 C ATOM 2110 NE ARG A 128 -2.645 -13.223 18.529 1.00 6.10 N ATOM 2111 CZ ARG A 128 -2.181 -12.862 19.722 1.00 6.51 C ATOM 2112 NH1 ARG A 128 -2.353 -11.648 20.209 1.00 6.13 N ATOM 2113 NH2 ARG A 128 -1.521 -13.737 20.449 1.00 7.83 N ATOM 0 H ARG A 128 -2.011 -7.222 16.819 1.00 1.75 H new ATOM 0 HA ARG A 128 -1.652 -9.263 15.684 1.00 1.94 H new ATOM 0 HB2 ARG A 128 -4.295 -10.072 16.858 1.00 3.04 H new ATOM 0 HB3 ARG A 128 -3.807 -10.689 15.292 1.00 3.04 H new ATOM 0 HG2 ARG A 128 -1.907 -11.821 16.185 1.00 4.22 H new ATOM 0 HG3 ARG A 128 -1.894 -10.854 17.646 1.00 4.22 H new ATOM 0 HD2 ARG A 128 -4.219 -11.873 18.174 1.00 4.81 H new ATOM 0 HD3 ARG A 128 -3.917 -13.002 16.868 1.00 4.81 H new ATOM 0 HE ARG A 128 -2.438 -14.172 18.219 1.00 6.10 H new ATOM 0 HH11 ARG A 128 -2.857 -10.947 19.666 1.00 6.13 H new ATOM 0 HH12 ARG A 128 -1.982 -11.410 21.129 1.00 6.13 H new ATOM 0 HH21 ARG A 128 -1.369 -14.682 20.096 1.00 7.83 H new ATOM 0 HH22 ARG A 128 -1.161 -13.471 21.365 1.00 7.83 H new ATOM 2127 N ALA A 129 -2.531 -7.700 13.868 1.00 1.51 N ATOM 2128 CA ALA A 129 -2.930 -7.289 12.514 1.00 1.18 C ATOM 2129 C ALA A 129 -1.713 -6.986 11.627 1.00 1.03 C ATOM 2130 O ALA A 129 -0.679 -6.508 12.105 1.00 1.48 O ATOM 2131 CB ALA A 129 -3.874 -6.079 12.552 1.00 1.96 C ATOM 0 H ALA A 129 -1.541 -7.535 14.052 1.00 1.51 H new ATOM 0 HA ALA A 129 -3.465 -8.131 12.075 1.00 1.18 H new ATOM 0 HB1 ALA A 129 -4.150 -5.801 11.535 1.00 1.96 H new ATOM 0 HB2 ALA A 129 -4.772 -6.336 13.114 1.00 1.96 H new ATOM 0 HB3 ALA A 129 -3.371 -5.240 13.034 1.00 1.96 H new ATOM 2137 N LEU A 130 -1.879 -7.229 10.324 1.00 0.72 N ATOM 2138 CA LEU A 130 -0.918 -6.900 9.269 1.00 0.85 C ATOM 2139 C LEU A 130 -1.646 -6.265 8.079 1.00 0.60 C ATOM 2140 O LEU A 130 -2.769 -6.639 7.733 1.00 0.57 O ATOM 2141 CB LEU A 130 -0.130 -8.168 8.859 1.00 1.31 C ATOM 2142 CG LEU A 130 1.250 -8.240 9.540 1.00 1.17 C ATOM 2143 CD1 LEU A 130 1.829 -9.659 9.522 1.00 2.77 C ATOM 2144 CD2 LEU A 130 2.254 -7.313 8.845 1.00 1.69 C ATOM 0 H LEU A 130 -2.720 -7.678 9.961 1.00 0.72 H new ATOM 0 HA LEU A 130 -0.198 -6.171 9.640 1.00 0.85 H new ATOM 0 HB2 LEU A 130 -0.709 -9.054 9.120 1.00 1.31 H new ATOM 0 HB3 LEU A 130 -0.000 -8.179 7.777 1.00 1.31 H new ATOM 0 HG LEU A 130 1.094 -7.928 10.573 1.00 1.17 H new ATOM 0 HD11 LEU A 130 2.802 -9.661 10.013 1.00 2.77 H new ATOM 0 HD12 LEU A 130 1.155 -10.334 10.050 1.00 2.77 H new ATOM 0 HD13 LEU A 130 1.942 -9.993 8.491 1.00 2.77 H new ATOM 0 HD21 LEU A 130 3.220 -7.383 9.345 1.00 1.69 H new ATOM 0 HD22 LEU A 130 2.363 -7.611 7.802 1.00 1.69 H new ATOM 0 HD23 LEU A 130 1.894 -6.285 8.893 1.00 1.69 H new ATOM 2156 N GLY A 131 -0.998 -5.282 7.460 1.00 0.70 N ATOM 2157 CA GLY A 131 -1.528 -4.560 6.309 1.00 0.54 C ATOM 2158 C GLY A 131 -0.434 -3.853 5.524 1.00 0.56 C ATOM 2159 O GLY A 131 0.592 -3.439 6.073 1.00 0.69 O ATOM 0 H GLY A 131 -0.074 -4.960 7.750 1.00 0.70 H new ATOM 0 HA2 GLY A 131 -2.051 -5.257 5.654 1.00 0.54 H new ATOM 0 HA3 GLY A 131 -2.262 -3.828 6.647 1.00 0.54 H new ATOM 2163 N PHE A 132 -0.682 -3.727 4.225 1.00 0.53 N ATOM 2164 CA PHE A 132 0.260 -3.245 3.226 1.00 0.58 C ATOM 2165 C PHE A 132 -0.484 -2.358 2.221 1.00 0.52 C ATOM 2166 O PHE A 132 -1.656 -2.594 1.913 1.00 0.55 O ATOM 2167 CB PHE A 132 0.919 -4.438 2.498 1.00 0.77 C ATOM 2168 CG PHE A 132 1.316 -5.631 3.357 1.00 1.05 C ATOM 2169 CD1 PHE A 132 0.367 -6.622 3.688 1.00 2.58 C ATOM 2170 CD2 PHE A 132 2.639 -5.768 3.809 1.00 2.06 C ATOM 2171 CE1 PHE A 132 0.738 -7.720 4.485 1.00 3.23 C ATOM 2172 CE2 PHE A 132 3.014 -6.870 4.598 1.00 2.87 C ATOM 2173 CZ PHE A 132 2.063 -7.846 4.940 1.00 2.98 C ATOM 0 H PHE A 132 -1.588 -3.970 3.823 1.00 0.53 H new ATOM 0 HA PHE A 132 1.042 -2.664 3.714 1.00 0.58 H new ATOM 0 HB2 PHE A 132 0.232 -4.788 1.728 1.00 0.77 H new ATOM 0 HB3 PHE A 132 1.811 -4.074 1.988 1.00 0.77 H new ATOM 0 HD1 PHE A 132 -0.648 -6.537 3.328 1.00 2.58 H new ATOM 0 HD2 PHE A 132 3.374 -5.021 3.548 1.00 2.06 H new ATOM 0 HE1 PHE A 132 0.004 -8.468 4.748 1.00 3.23 H new ATOM 0 HE2 PHE A 132 4.033 -6.966 4.941 1.00 2.87 H new ATOM 0 HZ PHE A 132 2.348 -8.690 5.550 1.00 2.98 H new ATOM 2183 N LEU A 133 0.207 -1.367 1.662 1.00 0.53 N ATOM 2184 CA LEU A 133 -0.302 -0.569 0.548 1.00 0.47 C ATOM 2185 C LEU A 133 0.835 -0.201 -0.397 1.00 0.45 C ATOM 2186 O LEU A 133 1.979 -0.008 0.024 1.00 0.44 O ATOM 2187 CB LEU A 133 -1.119 0.641 1.061 1.00 0.46 C ATOM 2188 CG LEU A 133 -0.331 1.727 1.834 1.00 0.57 C ATOM 2189 CD1 LEU A 133 0.249 2.812 0.906 1.00 1.41 C ATOM 2190 CD2 LEU A 133 -1.256 2.420 2.844 1.00 1.30 C ATOM 0 H LEU A 133 1.140 -1.093 1.970 1.00 0.53 H new ATOM 0 HA LEU A 133 -1.004 -1.161 -0.039 1.00 0.47 H new ATOM 0 HB2 LEU A 133 -1.603 1.114 0.206 1.00 0.46 H new ATOM 0 HB3 LEU A 133 -1.912 0.268 1.709 1.00 0.46 H new ATOM 0 HG LEU A 133 0.494 1.217 2.332 1.00 0.57 H new ATOM 0 HD11 LEU A 133 0.791 3.547 1.500 1.00 1.41 H new ATOM 0 HD12 LEU A 133 0.929 2.352 0.189 1.00 1.41 H new ATOM 0 HD13 LEU A 133 -0.563 3.305 0.371 1.00 1.41 H new ATOM 0 HD21 LEU A 133 -0.697 3.183 3.385 1.00 1.30 H new ATOM 0 HD22 LEU A 133 -2.088 2.886 2.316 1.00 1.30 H new ATOM 0 HD23 LEU A 133 -1.641 1.684 3.549 1.00 1.30 H new ATOM 2202 N SER A 134 0.513 -0.097 -1.681 1.00 0.49 N ATOM 2203 CA SER A 134 1.443 0.392 -2.695 1.00 0.46 C ATOM 2204 C SER A 134 0.721 1.264 -3.718 1.00 0.49 C ATOM 2205 O SER A 134 -0.335 0.882 -4.233 1.00 0.67 O ATOM 2206 CB SER A 134 2.156 -0.755 -3.433 1.00 0.52 C ATOM 2207 OG SER A 134 2.856 -1.610 -2.547 1.00 1.41 O ATOM 0 H SER A 134 -0.403 -0.350 -2.051 1.00 0.49 H new ATOM 0 HA SER A 134 2.193 0.982 -2.167 1.00 0.46 H new ATOM 0 HB2 SER A 134 1.422 -1.336 -3.992 1.00 0.52 H new ATOM 0 HB3 SER A 134 2.853 -0.339 -4.160 1.00 0.52 H new ATOM 0 HG SER A 134 3.815 -1.413 -2.591 1.00 1.41 H new ATOM 2213 N PHE A 135 1.309 2.413 -4.055 1.00 0.42 N ATOM 2214 CA PHE A 135 0.934 3.160 -5.249 1.00 0.44 C ATOM 2215 C PHE A 135 1.863 2.760 -6.398 1.00 0.43 C ATOM 2216 O PHE A 135 3.080 2.636 -6.228 1.00 0.44 O ATOM 2217 CB PHE A 135 0.962 4.676 -4.997 1.00 0.50 C ATOM 2218 CG PHE A 135 0.258 5.155 -3.739 1.00 0.53 C ATOM 2219 CD1 PHE A 135 -1.060 4.738 -3.457 1.00 2.12 C ATOM 2220 CD2 PHE A 135 0.912 6.039 -2.856 1.00 1.87 C ATOM 2221 CE1 PHE A 135 -1.717 5.201 -2.305 1.00 2.18 C ATOM 2222 CE2 PHE A 135 0.253 6.500 -1.702 1.00 1.91 C ATOM 2223 CZ PHE A 135 -1.062 6.084 -1.429 1.00 0.86 C ATOM 0 H PHE A 135 2.054 2.847 -3.510 1.00 0.42 H new ATOM 0 HA PHE A 135 -0.093 2.913 -5.520 1.00 0.44 H new ATOM 0 HB2 PHE A 135 2.002 4.998 -4.952 1.00 0.50 H new ATOM 0 HB3 PHE A 135 0.511 5.175 -5.854 1.00 0.50 H new ATOM 0 HD1 PHE A 135 -1.566 4.060 -4.129 1.00 2.12 H new ATOM 0 HD2 PHE A 135 1.921 6.363 -3.066 1.00 1.87 H new ATOM 0 HE1 PHE A 135 -2.726 4.879 -2.092 1.00 2.18 H new ATOM 0 HE2 PHE A 135 0.757 7.174 -1.025 1.00 1.91 H new ATOM 0 HZ PHE A 135 -1.569 6.443 -0.546 1.00 0.86 H new ATOM 2233 N SER A 136 1.286 2.592 -7.579 1.00 0.45 N ATOM 2234 CA SER A 136 2.007 2.590 -8.850 1.00 0.44 C ATOM 2235 C SER A 136 2.170 4.038 -9.349 1.00 0.44 C ATOM 2236 O SER A 136 1.584 4.966 -8.786 1.00 0.74 O ATOM 2237 CB SER A 136 1.209 1.742 -9.848 1.00 0.61 C ATOM 2238 OG SER A 136 1.841 1.695 -11.107 1.00 1.74 O ATOM 0 H SER A 136 0.282 2.450 -7.686 1.00 0.45 H new ATOM 0 HA SER A 136 3.003 2.164 -8.735 1.00 0.44 H new ATOM 0 HB2 SER A 136 1.096 0.730 -9.459 1.00 0.61 H new ATOM 0 HB3 SER A 136 0.206 2.155 -9.958 1.00 0.61 H new ATOM 0 HG SER A 136 1.198 1.937 -11.805 1.00 1.74 H new ATOM 2244 N ARG A 137 2.946 4.240 -10.416 1.00 0.45 N ATOM 2245 CA ARG A 137 3.102 5.510 -11.128 1.00 0.44 C ATOM 2246 C ARG A 137 3.633 5.291 -12.551 1.00 0.46 C ATOM 2247 O ARG A 137 4.518 4.465 -12.780 1.00 0.49 O ATOM 2248 CB ARG A 137 3.976 6.503 -10.334 1.00 0.60 C ATOM 2249 CG ARG A 137 5.299 5.906 -9.820 1.00 2.03 C ATOM 2250 CD ARG A 137 6.357 6.957 -9.462 1.00 2.46 C ATOM 2251 NE ARG A 137 5.909 7.915 -8.434 1.00 2.93 N ATOM 2252 CZ ARG A 137 6.677 8.824 -7.843 1.00 3.76 C ATOM 2253 NH1 ARG A 137 7.972 8.905 -8.080 1.00 4.42 N ATOM 2254 NH2 ARG A 137 6.155 9.683 -6.996 1.00 4.75 N ATOM 0 H ARG A 137 3.506 3.492 -10.824 1.00 0.45 H new ATOM 0 HA ARG A 137 2.113 5.960 -11.218 1.00 0.44 H new ATOM 0 HB2 ARG A 137 4.199 7.361 -10.968 1.00 0.60 H new ATOM 0 HB3 ARG A 137 3.404 6.875 -9.484 1.00 0.60 H new ATOM 0 HG2 ARG A 137 5.094 5.297 -8.940 1.00 2.03 H new ATOM 0 HG3 ARG A 137 5.706 5.240 -10.581 1.00 2.03 H new ATOM 0 HD2 ARG A 137 7.256 6.451 -9.109 1.00 2.46 H new ATOM 0 HD3 ARG A 137 6.633 7.505 -10.363 1.00 2.46 H new ATOM 0 HE ARG A 137 4.929 7.877 -8.154 1.00 2.93 H new ATOM 0 HH11 ARG A 137 8.412 8.258 -8.734 1.00 4.42 H new ATOM 0 HH12 ARG A 137 8.533 9.615 -7.609 1.00 4.42 H new ATOM 0 HH21 ARG A 137 5.156 9.653 -6.790 1.00 4.75 H new ATOM 0 HH22 ARG A 137 6.748 10.379 -6.545 1.00 4.75 H new ATOM 2268 N CYS A 138 3.122 6.071 -13.507 1.00 0.50 N ATOM 2269 CA CYS A 138 3.628 6.136 -14.884 1.00 0.61 C ATOM 2270 C CYS A 138 4.946 6.929 -15.005 1.00 0.65 C ATOM 2271 O CYS A 138 5.645 6.819 -16.011 1.00 0.75 O ATOM 2272 CB CYS A 138 2.522 6.704 -15.791 1.00 0.74 C ATOM 2273 SG CYS A 138 2.196 8.459 -15.435 1.00 2.38 S ATOM 0 H CYS A 138 2.327 6.689 -13.343 1.00 0.50 H new ATOM 0 HA CYS A 138 3.880 5.126 -15.209 1.00 0.61 H new ATOM 0 HB2 CYS A 138 2.814 6.593 -16.835 1.00 0.74 H new ATOM 0 HB3 CYS A 138 1.607 6.128 -15.653 1.00 0.74 H new ATOM 0 HG CYS A 138 1.537 8.560 -14.319 1.00 2.38 H new ATOM 2279 N SER A 139 5.314 7.699 -13.980 1.00 0.64 N ATOM 2280 CA SER A 139 6.604 8.385 -13.863 1.00 0.74 C ATOM 2281 C SER A 139 7.748 7.356 -13.759 1.00 0.65 C ATOM 2282 O SER A 139 7.960 6.741 -12.714 1.00 0.73 O ATOM 2283 CB SER A 139 6.609 9.365 -12.662 1.00 0.88 C ATOM 2284 OG SER A 139 5.363 9.437 -11.972 1.00 1.70 O ATOM 0 H SER A 139 4.703 7.869 -13.181 1.00 0.64 H new ATOM 0 HA SER A 139 6.763 8.979 -14.763 1.00 0.74 H new ATOM 0 HB2 SER A 139 7.385 9.061 -11.960 1.00 0.88 H new ATOM 0 HB3 SER A 139 6.874 10.360 -13.018 1.00 0.88 H new ATOM 0 HG SER A 139 5.437 10.070 -11.228 1.00 1.70 H new ATOM 2290 N ALA A 140 8.508 7.173 -14.846 1.00 0.62 N ATOM 2291 CA ALA A 140 9.587 6.179 -14.987 1.00 0.67 C ATOM 2292 C ALA A 140 10.897 6.559 -14.248 1.00 0.69 C ATOM 2293 O ALA A 140 11.970 6.031 -14.550 1.00 0.95 O ATOM 2294 CB ALA A 140 9.808 5.980 -16.494 1.00 0.84 C ATOM 0 H ALA A 140 8.385 7.735 -15.688 1.00 0.62 H new ATOM 0 HA ALA A 140 9.285 5.249 -14.505 1.00 0.67 H new ATOM 0 HB1 ALA A 140 10.601 5.249 -16.652 1.00 0.84 H new ATOM 0 HB2 ALA A 140 8.887 5.620 -16.952 1.00 0.84 H new ATOM 0 HB3 ALA A 140 10.093 6.929 -16.948 1.00 0.84 H new ATOM 2300 N ARG A 141 10.815 7.531 -13.335 1.00 0.61 N ATOM 2301 CA ARG A 141 11.930 8.275 -12.753 1.00 0.71 C ATOM 2302 C ARG A 141 12.700 7.508 -11.660 1.00 0.87 C ATOM 2303 O ARG A 141 12.247 6.490 -11.130 1.00 1.19 O ATOM 2304 CB ARG A 141 11.376 9.621 -12.227 1.00 0.78 C ATOM 2305 CG ARG A 141 11.567 10.778 -13.221 1.00 1.06 C ATOM 2306 CD ARG A 141 10.784 10.687 -14.542 1.00 1.36 C ATOM 2307 NE ARG A 141 9.401 11.184 -14.404 1.00 2.30 N ATOM 2308 CZ ARG A 141 8.558 11.423 -15.405 1.00 3.08 C ATOM 2309 NH1 ARG A 141 8.837 11.094 -16.649 1.00 3.29 N ATOM 2310 NH2 ARG A 141 7.402 12.003 -15.167 1.00 4.35 N ATOM 0 H ARG A 141 9.916 7.835 -12.962 1.00 0.61 H new ATOM 0 HA ARG A 141 12.674 8.439 -13.532 1.00 0.71 H new ATOM 0 HB2 ARG A 141 10.314 9.510 -12.007 1.00 0.78 H new ATOM 0 HB3 ARG A 141 11.872 9.870 -11.289 1.00 0.78 H new ATOM 0 HG2 ARG A 141 11.287 11.706 -12.722 1.00 1.06 H new ATOM 0 HG3 ARG A 141 12.628 10.852 -13.458 1.00 1.06 H new ATOM 0 HD2 ARG A 141 11.301 11.263 -15.309 1.00 1.36 H new ATOM 0 HD3 ARG A 141 10.764 9.651 -14.880 1.00 1.36 H new ATOM 0 HE ARG A 141 9.062 11.360 -13.458 1.00 2.30 H new ATOM 0 HH11 ARG A 141 9.724 10.641 -16.870 1.00 3.29 H new ATOM 0 HH12 ARG A 141 8.167 11.293 -17.392 1.00 3.29 H new ATOM 0 HH21 ARG A 141 7.152 12.270 -14.215 1.00 4.35 H new ATOM 0 HH22 ARG A 141 6.756 12.186 -15.935 1.00 4.35 H new ATOM 2324 N GLU A 142 13.869 8.044 -11.306 1.00 0.77 N ATOM 2325 CA GLU A 142 14.678 7.648 -10.146 1.00 0.81 C ATOM 2326 C GLU A 142 13.940 7.952 -8.825 1.00 0.66 C ATOM 2327 O GLU A 142 13.158 8.903 -8.755 1.00 0.65 O ATOM 2328 CB GLU A 142 16.016 8.411 -10.211 1.00 0.95 C ATOM 2329 CG GLU A 142 17.039 8.007 -9.140 1.00 1.67 C ATOM 2330 CD GLU A 142 18.347 8.798 -9.299 1.00 2.53 C ATOM 2331 OE1 GLU A 142 18.410 9.967 -8.852 1.00 3.61 O ATOM 2332 OE2 GLU A 142 19.325 8.252 -9.865 1.00 2.84 O ATOM 0 H GLU A 142 14.299 8.799 -11.841 1.00 0.77 H new ATOM 0 HA GLU A 142 14.858 6.573 -10.173 1.00 0.81 H new ATOM 0 HB2 GLU A 142 16.460 8.255 -11.194 1.00 0.95 H new ATOM 0 HB3 GLU A 142 15.815 9.478 -10.117 1.00 0.95 H new ATOM 0 HG2 GLU A 142 16.622 8.184 -8.149 1.00 1.67 H new ATOM 0 HG3 GLU A 142 17.245 6.939 -9.213 1.00 1.67 H new ATOM 2339 N ILE A 143 14.217 7.188 -7.760 1.00 0.74 N ATOM 2340 CA ILE A 143 13.779 7.516 -6.391 1.00 0.70 C ATOM 2341 C ILE A 143 14.991 7.850 -5.481 1.00 0.71 C ATOM 2342 O ILE A 143 15.892 7.011 -5.368 1.00 0.82 O ATOM 2343 CB ILE A 143 12.930 6.376 -5.776 1.00 0.72 C ATOM 2344 CG1 ILE A 143 11.699 6.019 -6.647 1.00 0.88 C ATOM 2345 CG2 ILE A 143 12.479 6.854 -4.389 1.00 1.01 C ATOM 2346 CD1 ILE A 143 10.774 4.960 -6.024 1.00 1.86 C ATOM 0 H ILE A 143 14.753 6.322 -7.821 1.00 0.74 H new ATOM 0 HA ILE A 143 13.147 8.402 -6.456 1.00 0.70 H new ATOM 0 HB ILE A 143 13.530 5.468 -5.714 1.00 0.72 H new ATOM 0 HG12 ILE A 143 11.123 6.926 -6.831 1.00 0.88 H new ATOM 0 HG13 ILE A 143 12.045 5.659 -7.616 1.00 0.88 H new ATOM 0 HG21 ILE A 143 11.875 6.080 -3.916 1.00 1.01 H new ATOM 0 HG22 ILE A 143 13.354 7.059 -3.772 1.00 1.01 H new ATOM 0 HG23 ILE A 143 11.887 7.763 -4.492 1.00 1.01 H new ATOM 0 HD11 ILE A 143 9.938 4.767 -6.696 1.00 1.86 H new ATOM 0 HD12 ILE A 143 11.332 4.037 -5.865 1.00 1.86 H new ATOM 0 HD13 ILE A 143 10.396 5.324 -5.069 1.00 1.86 H new ATOM 2358 N PRO A 144 14.998 9.020 -4.799 1.00 0.70 N ATOM 2359 CA PRO A 144 15.908 9.351 -3.702 1.00 0.77 C ATOM 2360 C PRO A 144 15.333 8.838 -2.363 1.00 0.80 C ATOM 2361 O PRO A 144 15.277 7.634 -2.134 1.00 1.59 O ATOM 2362 CB PRO A 144 16.090 10.870 -3.819 1.00 0.94 C ATOM 2363 CG PRO A 144 14.721 11.357 -4.292 1.00 0.91 C ATOM 2364 CD PRO A 144 14.205 10.197 -5.145 1.00 0.78 C ATOM 0 HA PRO A 144 16.885 8.869 -3.747 1.00 0.77 H new ATOM 0 HB2 PRO A 144 16.367 11.316 -2.864 1.00 0.94 H new ATOM 0 HB3 PRO A 144 16.875 11.127 -4.530 1.00 0.94 H new ATOM 0 HG2 PRO A 144 14.057 11.565 -3.453 1.00 0.91 H new ATOM 0 HG3 PRO A 144 14.800 12.277 -4.871 1.00 0.91 H new ATOM 0 HD2 PRO A 144 13.147 10.018 -4.952 1.00 0.78 H new ATOM 0 HD3 PRO A 144 14.301 10.427 -6.206 1.00 0.78 H new ATOM 2372 N ILE A 145 14.888 9.735 -1.479 1.00 0.77 N ATOM 2373 CA ILE A 145 14.240 9.475 -0.175 1.00 0.70 C ATOM 2374 C ILE A 145 12.746 9.138 -0.298 1.00 0.70 C ATOM 2375 O ILE A 145 11.975 9.382 0.621 1.00 1.26 O ATOM 2376 CB ILE A 145 14.551 10.679 0.753 1.00 0.77 C ATOM 2377 CG1 ILE A 145 14.253 10.434 2.261 1.00 0.81 C ATOM 2378 CG2 ILE A 145 13.988 12.001 0.196 1.00 0.88 C ATOM 2379 CD1 ILE A 145 13.027 11.115 2.903 1.00 1.05 C ATOM 0 H ILE A 145 14.973 10.735 -1.661 1.00 0.77 H new ATOM 0 HA ILE A 145 14.652 8.571 0.274 1.00 0.70 H new ATOM 0 HB ILE A 145 15.636 10.787 0.740 1.00 0.77 H new ATOM 0 HG12 ILE A 145 14.144 9.359 2.404 1.00 0.81 H new ATOM 0 HG13 ILE A 145 15.133 10.743 2.824 1.00 0.81 H new ATOM 0 HG21 ILE A 145 14.230 12.816 0.879 1.00 0.88 H new ATOM 0 HG22 ILE A 145 14.430 12.202 -0.780 1.00 0.88 H new ATOM 0 HG23 ILE A 145 12.906 11.922 0.095 1.00 0.88 H new ATOM 0 HD11 ILE A 145 12.967 10.838 3.956 1.00 1.05 H new ATOM 0 HD12 ILE A 145 13.125 12.197 2.817 1.00 1.05 H new ATOM 0 HD13 ILE A 145 12.121 10.791 2.390 1.00 1.05 H new ATOM 2391 N LEU A 146 12.301 8.674 -1.470 1.00 0.71 N ATOM 2392 CA LEU A 146 10.886 8.499 -1.866 1.00 0.77 C ATOM 2393 C LEU A 146 10.314 9.871 -2.280 1.00 0.78 C ATOM 2394 O LEU A 146 9.773 10.019 -3.372 1.00 1.05 O ATOM 2395 CB LEU A 146 10.087 7.794 -0.739 1.00 0.91 C ATOM 2396 CG LEU A 146 8.991 6.818 -1.182 1.00 1.09 C ATOM 2397 CD1 LEU A 146 8.214 6.362 0.055 1.00 1.62 C ATOM 2398 CD2 LEU A 146 8.025 7.484 -2.149 1.00 2.33 C ATOM 0 H LEU A 146 12.944 8.394 -2.210 1.00 0.71 H new ATOM 0 HA LEU A 146 10.802 7.841 -2.731 1.00 0.77 H new ATOM 0 HB2 LEU A 146 10.792 7.251 -0.110 1.00 0.91 H new ATOM 0 HB3 LEU A 146 9.628 8.561 -0.115 1.00 0.91 H new ATOM 0 HG LEU A 146 9.458 5.971 -1.685 1.00 1.09 H new ATOM 0 HD11 LEU A 146 7.430 5.666 -0.244 1.00 1.62 H new ATOM 0 HD12 LEU A 146 8.893 5.867 0.749 1.00 1.62 H new ATOM 0 HD13 LEU A 146 7.765 7.228 0.542 1.00 1.62 H new ATOM 0 HD21 LEU A 146 7.258 6.769 -2.447 1.00 2.33 H new ATOM 0 HD22 LEU A 146 7.555 8.339 -1.663 1.00 2.33 H new ATOM 0 HD23 LEU A 146 8.569 7.822 -3.031 1.00 2.33 H new ATOM 2410 N SER A 147 10.544 10.858 -1.414 1.00 0.70 N ATOM 2411 CA SER A 147 10.286 12.313 -1.418 1.00 0.69 C ATOM 2412 C SER A 147 9.690 12.651 -0.051 1.00 0.64 C ATOM 2413 O SER A 147 8.689 12.054 0.323 1.00 0.64 O ATOM 2414 CB SER A 147 9.355 12.831 -2.525 1.00 0.73 C ATOM 2415 OG SER A 147 9.954 12.734 -3.807 1.00 1.35 O ATOM 0 H SER A 147 10.997 10.614 -0.533 1.00 0.70 H new ATOM 0 HA SER A 147 11.236 12.806 -1.622 1.00 0.69 H new ATOM 0 HB2 SER A 147 8.426 12.261 -2.514 1.00 0.73 H new ATOM 0 HB3 SER A 147 9.094 13.870 -2.324 1.00 0.73 H new ATOM 0 HG SER A 147 10.073 11.790 -4.042 1.00 1.35 H new ATOM 2421 N ASP A 148 10.276 13.570 0.719 1.00 0.67 N ATOM 2422 CA ASP A 148 9.976 13.741 2.154 1.00 0.69 C ATOM 2423 C ASP A 148 8.480 13.941 2.480 1.00 0.70 C ATOM 2424 O ASP A 148 7.974 13.370 3.445 1.00 0.76 O ATOM 2425 CB ASP A 148 10.840 14.875 2.728 1.00 0.81 C ATOM 2426 CG ASP A 148 10.757 16.188 1.927 1.00 2.22 C ATOM 2427 OD1 ASP A 148 9.871 17.022 2.220 1.00 3.21 O ATOM 2428 OD2 ASP A 148 11.589 16.375 1.007 1.00 3.34 O ATOM 0 H ASP A 148 10.977 14.223 0.369 1.00 0.67 H new ATOM 0 HA ASP A 148 10.231 12.799 2.640 1.00 0.69 H new ATOM 0 HB2 ASP A 148 10.533 15.068 3.756 1.00 0.81 H new ATOM 0 HB3 ASP A 148 11.879 14.546 2.762 1.00 0.81 H new ATOM 2433 N GLU A 149 7.755 14.686 1.646 1.00 0.69 N ATOM 2434 CA GLU A 149 6.325 14.984 1.804 1.00 0.70 C ATOM 2435 C GLU A 149 5.429 13.771 1.455 1.00 0.71 C ATOM 2436 O GLU A 149 4.346 13.604 2.023 1.00 0.90 O ATOM 2437 CB GLU A 149 6.037 16.244 0.964 1.00 0.77 C ATOM 2438 CG GLU A 149 4.757 17.012 1.328 1.00 1.50 C ATOM 2439 CD GLU A 149 3.468 16.464 0.698 1.00 2.24 C ATOM 2440 OE1 GLU A 149 3.504 15.863 -0.401 1.00 2.76 O ATOM 2441 OE2 GLU A 149 2.386 16.632 1.304 1.00 3.61 O ATOM 0 H GLU A 149 8.157 15.115 0.813 1.00 0.69 H new ATOM 0 HA GLU A 149 6.078 15.185 2.847 1.00 0.70 H new ATOM 0 HB2 GLU A 149 6.885 16.923 1.059 1.00 0.77 H new ATOM 0 HB3 GLU A 149 5.978 15.953 -0.085 1.00 0.77 H new ATOM 0 HG2 GLU A 149 4.644 17.006 2.412 1.00 1.50 H new ATOM 0 HG3 GLU A 149 4.877 18.052 1.025 1.00 1.50 H new ATOM 2448 N LEU A 150 5.878 12.900 0.542 1.00 0.62 N ATOM 2449 CA LEU A 150 5.275 11.593 0.244 1.00 0.56 C ATOM 2450 C LEU A 150 5.674 10.517 1.272 1.00 0.52 C ATOM 2451 O LEU A 150 4.834 9.718 1.667 1.00 0.52 O ATOM 2452 CB LEU A 150 5.662 11.213 -1.200 1.00 0.56 C ATOM 2453 CG LEU A 150 5.232 9.817 -1.697 1.00 0.74 C ATOM 2454 CD1 LEU A 150 3.721 9.551 -1.653 1.00 1.59 C ATOM 2455 CD2 LEU A 150 5.707 9.671 -3.149 1.00 1.76 C ATOM 0 H LEU A 150 6.700 13.092 -0.030 1.00 0.62 H new ATOM 0 HA LEU A 150 4.190 11.659 0.322 1.00 0.56 H new ATOM 0 HB2 LEU A 150 5.236 11.958 -1.872 1.00 0.56 H new ATOM 0 HB3 LEU A 150 6.746 11.286 -1.290 1.00 0.56 H new ATOM 0 HG LEU A 150 5.683 9.092 -1.019 1.00 0.74 H new ATOM 0 HD11 LEU A 150 3.518 8.545 -2.021 1.00 1.59 H new ATOM 0 HD12 LEU A 150 3.366 9.640 -0.626 1.00 1.59 H new ATOM 0 HD13 LEU A 150 3.205 10.278 -2.280 1.00 1.59 H new ATOM 0 HD21 LEU A 150 5.417 8.692 -3.530 1.00 1.76 H new ATOM 0 HD22 LEU A 150 5.250 10.448 -3.761 1.00 1.76 H new ATOM 0 HD23 LEU A 150 6.792 9.769 -3.189 1.00 1.76 H new ATOM 2467 N GLN A 151 6.923 10.511 1.736 1.00 0.52 N ATOM 2468 CA GLN A 151 7.471 9.577 2.724 1.00 0.49 C ATOM 2469 C GLN A 151 6.721 9.697 4.060 1.00 0.48 C ATOM 2470 O GLN A 151 6.310 8.693 4.647 1.00 0.49 O ATOM 2471 CB GLN A 151 8.982 9.857 2.848 1.00 0.63 C ATOM 2472 CG GLN A 151 9.761 9.094 3.938 1.00 1.23 C ATOM 2473 CD GLN A 151 9.768 7.563 3.823 1.00 2.55 C ATOM 2474 OE1 GLN A 151 8.876 6.925 3.286 1.00 3.22 O ATOM 2475 NE2 GLN A 151 10.781 6.899 4.344 1.00 3.64 N ATOM 0 H GLN A 151 7.615 11.190 1.419 1.00 0.52 H new ATOM 0 HA GLN A 151 7.335 8.543 2.406 1.00 0.49 H new ATOM 0 HB2 GLN A 151 9.445 9.635 1.886 1.00 0.63 H new ATOM 0 HB3 GLN A 151 9.113 10.924 3.026 1.00 0.63 H new ATOM 0 HG2 GLN A 151 10.794 9.443 3.928 1.00 1.23 H new ATOM 0 HG3 GLN A 151 9.343 9.362 4.908 1.00 1.23 H new ATOM 0 HE21 GLN A 151 11.541 7.404 4.799 1.00 3.64 H new ATOM 0 HE22 GLN A 151 10.804 5.881 4.292 1.00 3.64 H new ATOM 2484 N LEU A 152 6.471 10.933 4.506 1.00 0.52 N ATOM 2485 CA LEU A 152 5.703 11.222 5.717 1.00 0.57 C ATOM 2486 C LEU A 152 4.222 10.882 5.532 1.00 0.55 C ATOM 2487 O LEU A 152 3.648 10.221 6.401 1.00 0.55 O ATOM 2488 CB LEU A 152 5.900 12.698 6.110 1.00 0.69 C ATOM 2489 CG LEU A 152 7.312 13.023 6.647 1.00 0.76 C ATOM 2490 CD1 LEU A 152 7.488 14.545 6.743 1.00 0.93 C ATOM 2491 CD2 LEU A 152 7.563 12.394 8.027 1.00 0.88 C ATOM 0 H LEU A 152 6.802 11.771 4.028 1.00 0.52 H new ATOM 0 HA LEU A 152 6.071 10.593 6.527 1.00 0.57 H new ATOM 0 HB2 LEU A 152 5.700 13.324 5.241 1.00 0.69 H new ATOM 0 HB3 LEU A 152 5.164 12.962 6.869 1.00 0.69 H new ATOM 0 HG LEU A 152 8.035 12.600 5.950 1.00 0.76 H new ATOM 0 HD11 LEU A 152 8.484 14.773 7.122 1.00 0.93 H new ATOM 0 HD12 LEU A 152 7.365 14.988 5.755 1.00 0.93 H new ATOM 0 HD13 LEU A 152 6.739 14.956 7.421 1.00 0.93 H new ATOM 0 HD21 LEU A 152 8.567 12.648 8.366 1.00 0.88 H new ATOM 0 HD22 LEU A 152 6.832 12.776 8.740 1.00 0.88 H new ATOM 0 HD23 LEU A 152 7.468 11.311 7.956 1.00 0.88 H new ATOM 2503 N LYS A 153 3.599 11.262 4.405 1.00 0.57 N ATOM 2504 CA LYS A 153 2.206 10.866 4.149 1.00 0.60 C ATOM 2505 C LYS A 153 2.055 9.344 4.063 1.00 0.55 C ATOM 2506 O LYS A 153 1.086 8.820 4.590 1.00 0.59 O ATOM 2507 CB LYS A 153 1.550 11.637 2.980 1.00 0.79 C ATOM 2508 CG LYS A 153 1.469 10.892 1.631 1.00 2.30 C ATOM 2509 CD LYS A 153 0.648 11.625 0.553 1.00 2.85 C ATOM 2510 CE LYS A 153 1.427 12.669 -0.262 1.00 3.39 C ATOM 2511 NZ LYS A 153 1.877 13.817 0.558 1.00 3.05 N ATOM 0 H LYS A 153 4.026 11.829 3.673 1.00 0.57 H new ATOM 0 HA LYS A 153 1.627 11.174 5.020 1.00 0.60 H new ATOM 0 HB2 LYS A 153 0.539 11.916 3.278 1.00 0.79 H new ATOM 0 HB3 LYS A 153 2.104 12.563 2.827 1.00 0.79 H new ATOM 0 HG2 LYS A 153 2.480 10.732 1.256 1.00 2.30 H new ATOM 0 HG3 LYS A 153 1.032 9.908 1.798 1.00 2.30 H new ATOM 0 HD2 LYS A 153 0.236 10.885 -0.133 1.00 2.85 H new ATOM 0 HD3 LYS A 153 -0.196 12.119 1.034 1.00 2.85 H new ATOM 0 HE2 LYS A 153 2.294 12.193 -0.720 1.00 3.39 H new ATOM 0 HE3 LYS A 153 0.798 13.033 -1.074 1.00 3.39 H new ATOM 0 HZ1 LYS A 153 2.085 14.626 -0.062 1.00 3.05 H new ATOM 0 HZ2 LYS A 153 1.127 14.079 1.229 1.00 3.05 H new ATOM 0 HZ3 LYS A 153 2.735 13.553 1.083 1.00 3.05 H new ATOM 2525 N MET A 154 3.008 8.610 3.480 1.00 0.50 N ATOM 2526 CA MET A 154 2.970 7.140 3.432 1.00 0.50 C ATOM 2527 C MET A 154 3.063 6.523 4.827 1.00 0.51 C ATOM 2528 O MET A 154 2.310 5.596 5.122 1.00 0.58 O ATOM 2529 CB MET A 154 4.031 6.576 2.474 1.00 0.52 C ATOM 2530 CG MET A 154 3.531 6.686 1.026 1.00 1.29 C ATOM 2531 SD MET A 154 4.672 6.109 -0.257 1.00 1.98 S ATOM 2532 CE MET A 154 4.888 4.379 0.237 1.00 1.11 C ATOM 0 H MET A 154 3.828 9.015 3.028 1.00 0.50 H new ATOM 0 HA MET A 154 1.998 6.854 3.029 1.00 0.50 H new ATOM 0 HB2 MET A 154 4.966 7.124 2.589 1.00 0.52 H new ATOM 0 HB3 MET A 154 4.239 5.535 2.719 1.00 0.52 H new ATOM 0 HG2 MET A 154 2.603 6.121 0.940 1.00 1.29 H new ATOM 0 HG3 MET A 154 3.288 7.729 0.825 1.00 1.29 H new ATOM 0 HE1 MET A 154 5.355 3.824 -0.577 1.00 1.11 H new ATOM 0 HE2 MET A 154 5.523 4.330 1.121 1.00 1.11 H new ATOM 0 HE3 MET A 154 3.916 3.941 0.464 1.00 1.11 H new ATOM 2542 N GLN A 155 3.927 7.045 5.702 1.00 0.48 N ATOM 2543 CA GLN A 155 4.012 6.591 7.095 1.00 0.50 C ATOM 2544 C GLN A 155 2.687 6.828 7.851 1.00 0.50 C ATOM 2545 O GLN A 155 2.185 5.919 8.513 1.00 0.56 O ATOM 2546 CB GLN A 155 5.221 7.276 7.766 1.00 0.56 C ATOM 2547 CG GLN A 155 5.779 6.524 8.987 1.00 0.92 C ATOM 2548 CD GLN A 155 4.832 6.481 10.189 1.00 2.17 C ATOM 2549 OE1 GLN A 155 4.417 7.498 10.731 1.00 2.74 O ATOM 2550 NE2 GLN A 155 4.459 5.306 10.655 1.00 3.72 N ATOM 0 H GLN A 155 4.584 7.789 5.468 1.00 0.48 H new ATOM 0 HA GLN A 155 4.170 5.513 7.124 1.00 0.50 H new ATOM 0 HB2 GLN A 155 6.016 7.387 7.028 1.00 0.56 H new ATOM 0 HB3 GLN A 155 4.930 8.280 8.075 1.00 0.56 H new ATOM 0 HG2 GLN A 155 6.018 5.502 8.691 1.00 0.92 H new ATOM 0 HG3 GLN A 155 6.714 6.995 9.293 1.00 0.92 H new ATOM 0 HE21 GLN A 155 4.797 4.451 10.213 1.00 3.72 H new ATOM 0 HE22 GLN A 155 3.832 5.251 11.458 1.00 3.72 H new ATOM 2559 N LEU A 156 2.065 8.005 7.690 1.00 0.50 N ATOM 2560 CA LEU A 156 0.724 8.307 8.212 1.00 0.55 C ATOM 2561 C LEU A 156 -0.323 7.343 7.638 1.00 0.56 C ATOM 2562 O LEU A 156 -1.049 6.694 8.392 1.00 0.56 O ATOM 2563 CB LEU A 156 0.407 9.789 7.890 1.00 0.64 C ATOM 2564 CG LEU A 156 -1.076 10.216 7.977 1.00 0.93 C ATOM 2565 CD1 LEU A 156 -1.656 10.115 9.390 1.00 2.12 C ATOM 2566 CD2 LEU A 156 -1.230 11.650 7.450 1.00 2.39 C ATOM 0 H LEU A 156 2.486 8.786 7.186 1.00 0.50 H new ATOM 0 HA LEU A 156 0.695 8.165 9.292 1.00 0.55 H new ATOM 0 HB2 LEU A 156 0.982 10.416 8.571 1.00 0.64 H new ATOM 0 HB3 LEU A 156 0.764 10.002 6.882 1.00 0.64 H new ATOM 0 HG LEU A 156 -1.642 9.518 7.360 1.00 0.93 H new ATOM 0 HD11 LEU A 156 -2.700 10.430 9.378 1.00 2.12 H new ATOM 0 HD12 LEU A 156 -1.592 9.084 9.737 1.00 2.12 H new ATOM 0 HD13 LEU A 156 -1.090 10.760 10.063 1.00 2.12 H new ATOM 0 HD21 LEU A 156 -2.276 11.950 7.512 1.00 2.39 H new ATOM 0 HD22 LEU A 156 -0.622 12.326 8.052 1.00 2.39 H new ATOM 0 HD23 LEU A 156 -0.901 11.693 6.412 1.00 2.39 H new ATOM 2578 N LEU A 157 -0.394 7.241 6.309 1.00 0.57 N ATOM 2579 CA LEU A 157 -1.389 6.451 5.594 1.00 0.61 C ATOM 2580 C LEU A 157 -1.263 4.973 5.941 1.00 0.64 C ATOM 2581 O LEU A 157 -2.283 4.360 6.220 1.00 0.73 O ATOM 2582 CB LEU A 157 -1.299 6.687 4.069 1.00 0.59 C ATOM 2583 CG LEU A 157 -2.249 7.779 3.532 1.00 0.69 C ATOM 2584 CD1 LEU A 157 -2.017 9.207 4.039 1.00 1.67 C ATOM 2585 CD2 LEU A 157 -2.187 7.795 1.999 1.00 1.69 C ATOM 0 H LEU A 157 0.258 7.720 5.687 1.00 0.57 H new ATOM 0 HA LEU A 157 -2.377 6.782 5.916 1.00 0.61 H new ATOM 0 HB2 LEU A 157 -0.274 6.959 3.816 1.00 0.59 H new ATOM 0 HB3 LEU A 157 -1.516 5.750 3.556 1.00 0.59 H new ATOM 0 HG LEU A 157 -3.227 7.495 3.920 1.00 0.69 H new ATOM 0 HD11 LEU A 157 -2.749 9.877 3.587 1.00 1.67 H new ATOM 0 HD12 LEU A 157 -2.125 9.230 5.123 1.00 1.67 H new ATOM 0 HD13 LEU A 157 -1.012 9.531 3.767 1.00 1.67 H new ATOM 0 HD21 LEU A 157 -2.857 8.565 1.616 1.00 1.69 H new ATOM 0 HD22 LEU A 157 -1.167 8.008 1.678 1.00 1.69 H new ATOM 0 HD23 LEU A 157 -2.493 6.823 1.612 1.00 1.69 H new ATOM 2597 N VAL A 158 -0.062 4.393 5.984 1.00 0.60 N ATOM 2598 CA VAL A 158 0.094 2.979 6.355 1.00 0.65 C ATOM 2599 C VAL A 158 -0.360 2.681 7.786 1.00 0.71 C ATOM 2600 O VAL A 158 -1.040 1.679 7.999 1.00 0.82 O ATOM 2601 CB VAL A 158 1.497 2.418 6.057 1.00 0.64 C ATOM 2602 CG1 VAL A 158 2.538 2.703 7.154 1.00 0.68 C ATOM 2603 CG2 VAL A 158 1.392 0.911 5.805 1.00 0.73 C ATOM 0 H VAL A 158 0.812 4.873 5.769 1.00 0.60 H new ATOM 0 HA VAL A 158 -0.588 2.438 5.699 1.00 0.65 H new ATOM 0 HB VAL A 158 1.859 2.938 5.170 1.00 0.64 H new ATOM 0 HG11 VAL A 158 3.498 2.274 6.865 1.00 0.68 H new ATOM 0 HG12 VAL A 158 2.646 3.780 7.282 1.00 0.68 H new ATOM 0 HG13 VAL A 158 2.209 2.257 8.093 1.00 0.68 H new ATOM 0 HG21 VAL A 158 2.382 0.508 5.593 1.00 0.73 H new ATOM 0 HG22 VAL A 158 0.982 0.422 6.689 1.00 0.73 H new ATOM 0 HG23 VAL A 158 0.737 0.729 4.953 1.00 0.73 H new ATOM 2613 N ARG A 159 -0.030 3.550 8.757 1.00 0.68 N ATOM 2614 CA ARG A 159 -0.506 3.390 10.137 1.00 0.74 C ATOM 2615 C ARG A 159 -2.025 3.449 10.162 1.00 0.78 C ATOM 2616 O ARG A 159 -2.690 2.561 10.699 1.00 0.84 O ATOM 2617 CB ARG A 159 0.102 4.499 11.035 1.00 0.68 C ATOM 2618 CG ARG A 159 -0.571 4.641 12.421 1.00 1.05 C ATOM 2619 CD ARG A 159 -0.172 5.913 13.185 1.00 1.17 C ATOM 2620 NE ARG A 159 1.184 5.814 13.758 1.00 1.97 N ATOM 2621 CZ ARG A 159 1.593 6.304 14.926 1.00 2.76 C ATOM 2622 NH1 ARG A 159 0.791 6.974 15.728 1.00 3.38 N ATOM 2623 NH2 ARG A 159 2.839 6.122 15.310 1.00 3.62 N ATOM 0 H ARG A 159 0.563 4.367 8.610 1.00 0.68 H new ATOM 0 HA ARG A 159 -0.188 2.422 10.524 1.00 0.74 H new ATOM 0 HB2 ARG A 159 1.162 4.292 11.179 1.00 0.68 H new ATOM 0 HB3 ARG A 159 0.032 5.452 10.511 1.00 0.68 H new ATOM 0 HG2 ARG A 159 -1.653 4.633 12.290 1.00 1.05 H new ATOM 0 HG3 ARG A 159 -0.317 3.771 13.027 1.00 1.05 H new ATOM 0 HD2 ARG A 159 -0.219 6.769 12.512 1.00 1.17 H new ATOM 0 HD3 ARG A 159 -0.890 6.096 13.984 1.00 1.17 H new ATOM 0 HE ARG A 159 1.880 5.319 13.201 1.00 1.97 H new ATOM 0 HH11 ARG A 159 -0.181 7.133 15.461 1.00 3.38 H new ATOM 0 HH12 ARG A 159 1.142 7.334 16.616 1.00 3.38 H new ATOM 0 HH21 ARG A 159 3.487 5.607 14.713 1.00 3.62 H new ATOM 0 HH22 ARG A 159 3.157 6.496 16.204 1.00 3.62 H new ATOM 2637 N GLU A 160 -2.557 4.508 9.570 1.00 0.75 N ATOM 2638 CA GLU A 160 -3.944 4.867 9.756 1.00 0.74 C ATOM 2639 C GLU A 160 -4.869 3.982 8.922 1.00 0.74 C ATOM 2640 O GLU A 160 -5.890 3.526 9.421 1.00 0.82 O ATOM 2641 CB GLU A 160 -4.113 6.349 9.458 1.00 0.81 C ATOM 2642 CG GLU A 160 -5.565 6.746 9.715 1.00 2.17 C ATOM 2643 CD GLU A 160 -5.673 8.019 10.548 1.00 2.29 C ATOM 2644 OE1 GLU A 160 -5.032 9.032 10.190 1.00 2.68 O ATOM 2645 OE2 GLU A 160 -6.393 7.975 11.571 1.00 3.23 O ATOM 0 H GLU A 160 -2.040 5.134 8.953 1.00 0.75 H new ATOM 0 HA GLU A 160 -4.234 4.693 10.792 1.00 0.74 H new ATOM 0 HB2 GLU A 160 -3.445 6.938 10.087 1.00 0.81 H new ATOM 0 HB3 GLU A 160 -3.843 6.558 8.423 1.00 0.81 H new ATOM 0 HG2 GLU A 160 -6.074 6.892 8.763 1.00 2.17 H new ATOM 0 HG3 GLU A 160 -6.077 5.933 10.229 1.00 2.17 H new ATOM 2652 N SER A 161 -4.491 3.662 7.688 1.00 0.68 N ATOM 2653 CA SER A 161 -5.245 2.733 6.851 1.00 0.66 C ATOM 2654 C SER A 161 -5.298 1.356 7.508 1.00 0.68 C ATOM 2655 O SER A 161 -6.389 0.802 7.625 1.00 0.70 O ATOM 2656 CB SER A 161 -4.637 2.635 5.446 1.00 0.66 C ATOM 2657 OG SER A 161 -5.371 1.734 4.633 1.00 1.03 O ATOM 0 H SER A 161 -3.655 4.038 7.240 1.00 0.68 H new ATOM 0 HA SER A 161 -6.261 3.114 6.750 1.00 0.66 H new ATOM 0 HB2 SER A 161 -4.625 3.621 4.982 1.00 0.66 H new ATOM 0 HB3 SER A 161 -3.601 2.304 5.517 1.00 0.66 H new ATOM 0 HG SER A 161 -4.879 1.568 3.802 1.00 1.03 H new ATOM 2663 N LEU A 162 -4.170 0.833 8.019 1.00 0.70 N ATOM 2664 CA LEU A 162 -4.167 -0.477 8.671 1.00 0.76 C ATOM 2665 C LEU A 162 -5.100 -0.463 9.882 1.00 0.75 C ATOM 2666 O LEU A 162 -6.010 -1.285 9.939 1.00 0.78 O ATOM 2667 CB LEU A 162 -2.717 -0.873 9.005 1.00 0.90 C ATOM 2668 CG LEU A 162 -2.528 -2.324 9.499 1.00 1.45 C ATOM 2669 CD1 LEU A 162 -1.038 -2.668 9.432 1.00 1.71 C ATOM 2670 CD2 LEU A 162 -2.980 -2.557 10.948 1.00 2.92 C ATOM 0 H LEU A 162 -3.261 1.295 7.991 1.00 0.70 H new ATOM 0 HA LEU A 162 -4.558 -1.245 8.003 1.00 0.76 H new ATOM 0 HB2 LEU A 162 -2.103 -0.726 8.116 1.00 0.90 H new ATOM 0 HB3 LEU A 162 -2.339 -0.194 9.769 1.00 0.90 H new ATOM 0 HG LEU A 162 -3.146 -2.949 8.855 1.00 1.45 H new ATOM 0 HD11 LEU A 162 -0.885 -3.690 9.778 1.00 1.71 H new ATOM 0 HD12 LEU A 162 -0.689 -2.577 8.403 1.00 1.71 H new ATOM 0 HD13 LEU A 162 -0.477 -1.982 10.067 1.00 1.71 H new ATOM 0 HD21 LEU A 162 -2.814 -3.600 11.218 1.00 2.92 H new ATOM 0 HD22 LEU A 162 -2.407 -1.914 11.616 1.00 2.92 H new ATOM 0 HD23 LEU A 162 -4.040 -2.323 11.040 1.00 2.92 H new ATOM 2682 N MET A 163 -4.946 0.489 10.809 1.00 0.77 N ATOM 2683 CA MET A 163 -5.747 0.518 12.041 1.00 0.85 C ATOM 2684 C MET A 163 -7.233 0.792 11.776 1.00 0.76 C ATOM 2685 O MET A 163 -8.080 0.167 12.406 1.00 0.77 O ATOM 2686 CB MET A 163 -5.133 1.453 13.094 1.00 1.03 C ATOM 2687 CG MET A 163 -5.357 2.936 12.804 1.00 1.06 C ATOM 2688 SD MET A 163 -4.419 4.059 13.866 1.00 1.87 S ATOM 2689 CE MET A 163 -5.341 5.564 13.480 1.00 1.10 C ATOM 0 H MET A 163 -4.273 1.252 10.730 1.00 0.77 H new ATOM 0 HA MET A 163 -5.716 -0.485 12.466 1.00 0.85 H new ATOM 0 HB2 MET A 163 -5.557 1.215 14.070 1.00 1.03 H new ATOM 0 HB3 MET A 163 -4.062 1.262 13.156 1.00 1.03 H new ATOM 0 HG2 MET A 163 -5.093 3.134 11.765 1.00 1.06 H new ATOM 0 HG3 MET A 163 -6.419 3.158 12.911 1.00 1.06 H new ATOM 0 HE1 MET A 163 -4.659 6.414 13.461 1.00 1.10 H new ATOM 0 HE2 MET A 163 -5.817 5.459 12.505 1.00 1.10 H new ATOM 0 HE3 MET A 163 -6.104 5.728 14.241 1.00 1.10 H new ATOM 2699 N ALA A 164 -7.563 1.698 10.849 1.00 0.71 N ATOM 2700 CA ALA A 164 -8.942 2.030 10.493 1.00 0.67 C ATOM 2701 C ALA A 164 -9.645 0.844 9.814 1.00 0.67 C ATOM 2702 O ALA A 164 -10.780 0.532 10.171 1.00 0.68 O ATOM 2703 CB ALA A 164 -8.948 3.303 9.627 1.00 0.69 C ATOM 0 H ALA A 164 -6.869 2.226 10.320 1.00 0.71 H new ATOM 0 HA ALA A 164 -9.515 2.234 11.398 1.00 0.67 H new ATOM 0 HB1 ALA A 164 -9.974 3.555 9.358 1.00 0.69 H new ATOM 0 HB2 ALA A 164 -8.507 4.127 10.188 1.00 0.69 H new ATOM 0 HB3 ALA A 164 -8.368 3.129 8.721 1.00 0.69 H new ATOM 2709 N LEU A 165 -8.965 0.143 8.896 1.00 0.69 N ATOM 2710 CA LEU A 165 -9.470 -1.075 8.241 1.00 0.74 C ATOM 2711 C LEU A 165 -9.626 -2.207 9.272 1.00 0.77 C ATOM 2712 O LEU A 165 -10.659 -2.874 9.298 1.00 0.80 O ATOM 2713 CB LEU A 165 -8.495 -1.433 7.089 1.00 0.76 C ATOM 2714 CG LEU A 165 -8.976 -2.274 5.886 1.00 0.84 C ATOM 2715 CD1 LEU A 165 -9.885 -3.449 6.257 1.00 1.58 C ATOM 2716 CD2 LEU A 165 -9.647 -1.386 4.823 1.00 1.68 C ATOM 0 H LEU A 165 -8.032 0.410 8.581 1.00 0.69 H new ATOM 0 HA LEU A 165 -10.462 -0.917 7.817 1.00 0.74 H new ATOM 0 HB2 LEU A 165 -8.109 -0.494 6.691 1.00 0.76 H new ATOM 0 HB3 LEU A 165 -7.652 -1.961 7.534 1.00 0.76 H new ATOM 0 HG LEU A 165 -8.072 -2.720 5.470 1.00 0.84 H new ATOM 0 HD11 LEU A 165 -10.175 -3.984 5.353 1.00 1.58 H new ATOM 0 HD12 LEU A 165 -9.351 -4.126 6.924 1.00 1.58 H new ATOM 0 HD13 LEU A 165 -10.777 -3.074 6.759 1.00 1.58 H new ATOM 0 HD21 LEU A 165 -9.976 -2.004 3.988 1.00 1.68 H new ATOM 0 HD22 LEU A 165 -10.508 -0.881 5.261 1.00 1.68 H new ATOM 0 HD23 LEU A 165 -8.933 -0.643 4.466 1.00 1.68 H new ATOM 2728 N MET A 166 -8.660 -2.368 10.186 1.00 0.78 N ATOM 2729 CA MET A 166 -8.715 -3.344 11.290 1.00 0.85 C ATOM 2730 C MET A 166 -9.951 -3.098 12.169 1.00 0.82 C ATOM 2731 O MET A 166 -10.756 -4.006 12.389 1.00 0.85 O ATOM 2732 CB MET A 166 -7.407 -3.258 12.104 1.00 0.88 C ATOM 2733 CG MET A 166 -7.021 -4.529 12.863 1.00 1.58 C ATOM 2734 SD MET A 166 -8.194 -5.184 14.074 1.00 2.91 S ATOM 2735 CE MET A 166 -8.533 -6.756 13.245 1.00 1.72 C ATOM 0 H MET A 166 -7.802 -1.816 10.182 1.00 0.78 H new ATOM 0 HA MET A 166 -8.808 -4.352 10.887 1.00 0.85 H new ATOM 0 HB2 MET A 166 -6.594 -2.999 11.426 1.00 0.88 H new ATOM 0 HB3 MET A 166 -7.498 -2.441 12.820 1.00 0.88 H new ATOM 0 HG2 MET A 166 -6.828 -5.311 12.129 1.00 1.58 H new ATOM 0 HG3 MET A 166 -6.080 -4.337 13.379 1.00 1.58 H new ATOM 0 HE1 MET A 166 -9.248 -7.331 13.833 1.00 1.72 H new ATOM 0 HE2 MET A 166 -8.949 -6.564 12.256 1.00 1.72 H new ATOM 0 HE3 MET A 166 -7.607 -7.322 13.145 1.00 1.72 H new ATOM 2745 N ARG A 167 -10.152 -1.843 12.595 1.00 0.78 N ATOM 2746 CA ARG A 167 -11.300 -1.405 13.402 1.00 0.78 C ATOM 2747 C ARG A 167 -12.660 -1.544 12.706 1.00 0.76 C ATOM 2748 O ARG A 167 -13.691 -1.536 13.381 1.00 0.84 O ATOM 2749 CB ARG A 167 -11.090 0.039 13.892 1.00 0.83 C ATOM 2750 CG ARG A 167 -10.334 0.134 15.226 1.00 1.14 C ATOM 2751 CD ARG A 167 -11.164 -0.300 16.451 1.00 1.71 C ATOM 2752 NE ARG A 167 -11.003 -1.731 16.785 1.00 2.73 N ATOM 2753 CZ ARG A 167 -11.903 -2.707 16.683 1.00 3.97 C ATOM 2754 NH1 ARG A 167 -13.105 -2.525 16.181 1.00 4.33 N ATOM 2755 NH2 ARG A 167 -11.591 -3.920 17.074 1.00 5.40 N ATOM 0 H ARG A 167 -9.504 -1.085 12.382 1.00 0.78 H new ATOM 0 HA ARG A 167 -11.338 -2.087 14.251 1.00 0.78 H new ATOM 0 HB2 ARG A 167 -10.540 0.595 13.132 1.00 0.83 H new ATOM 0 HB3 ARG A 167 -12.061 0.522 14.000 1.00 0.83 H new ATOM 0 HG2 ARG A 167 -9.439 -0.485 15.169 1.00 1.14 H new ATOM 0 HG3 ARG A 167 -10.002 1.162 15.371 1.00 1.14 H new ATOM 0 HD2 ARG A 167 -10.873 0.302 17.311 1.00 1.71 H new ATOM 0 HD3 ARG A 167 -12.217 -0.094 16.260 1.00 1.71 H new ATOM 0 HE ARG A 167 -10.086 -2.006 17.138 1.00 2.73 H new ATOM 0 HH11 ARG A 167 -13.384 -1.602 15.848 1.00 4.33 H new ATOM 0 HH12 ARG A 167 -13.758 -3.307 16.125 1.00 4.33 H new ATOM 0 HH21 ARG A 167 -10.664 -4.111 17.453 1.00 5.40 H new ATOM 0 HH22 ARG A 167 -12.276 -4.672 16.999 1.00 5.40 H new ATOM 2769 N LEU A 168 -12.674 -1.667 11.379 1.00 0.75 N ATOM 2770 CA LEU A 168 -13.873 -1.899 10.576 1.00 0.79 C ATOM 2771 C LEU A 168 -14.154 -3.405 10.422 1.00 0.90 C ATOM 2772 O LEU A 168 -15.297 -3.840 10.564 1.00 1.18 O ATOM 2773 CB LEU A 168 -13.655 -1.197 9.221 1.00 0.78 C ATOM 2774 CG LEU A 168 -14.882 -0.502 8.620 1.00 0.98 C ATOM 2775 CD1 LEU A 168 -16.029 -1.476 8.335 1.00 2.64 C ATOM 2776 CD2 LEU A 168 -15.379 0.688 9.448 1.00 1.67 C ATOM 0 H LEU A 168 -11.825 -1.606 10.817 1.00 0.75 H new ATOM 0 HA LEU A 168 -14.756 -1.486 11.063 1.00 0.79 H new ATOM 0 HB2 LEU A 168 -12.865 -0.456 9.341 1.00 0.78 H new ATOM 0 HB3 LEU A 168 -13.293 -1.936 8.506 1.00 0.78 H new ATOM 0 HG LEU A 168 -14.534 -0.103 7.667 1.00 0.98 H new ATOM 0 HD11 LEU A 168 -16.872 -0.931 7.911 1.00 2.64 H new ATOM 0 HD12 LEU A 168 -15.695 -2.235 7.628 1.00 2.64 H new ATOM 0 HD13 LEU A 168 -16.338 -1.956 9.264 1.00 2.64 H new ATOM 0 HD21 LEU A 168 -16.249 1.131 8.963 1.00 1.67 H new ATOM 0 HD22 LEU A 168 -15.654 0.347 10.446 1.00 1.67 H new ATOM 0 HD23 LEU A 168 -14.588 1.434 9.525 1.00 1.67 H new ATOM 2788 N ASN A 169 -13.114 -4.207 10.177 1.00 0.87 N ATOM 2789 CA ASN A 169 -13.218 -5.658 10.006 1.00 0.98 C ATOM 2790 C ASN A 169 -13.524 -6.407 11.316 1.00 1.09 C ATOM 2791 O ASN A 169 -14.339 -7.330 11.304 1.00 1.23 O ATOM 2792 CB ASN A 169 -11.894 -6.200 9.435 1.00 1.09 C ATOM 2793 CG ASN A 169 -11.743 -6.069 7.922 1.00 1.50 C ATOM 2794 OD1 ASN A 169 -12.531 -5.437 7.226 1.00 2.23 O ATOM 2795 ND2 ASN A 169 -10.730 -6.709 7.366 1.00 2.24 N ATOM 0 H ASN A 169 -12.159 -3.859 10.090 1.00 0.87 H new ATOM 0 HA ASN A 169 -14.052 -5.832 9.326 1.00 0.98 H new ATOM 0 HB2 ASN A 169 -11.067 -5.676 9.914 1.00 1.09 H new ATOM 0 HB3 ASN A 169 -11.803 -7.252 9.704 1.00 1.09 H new ATOM 0 HD21 ASN A 169 -10.601 -6.679 6.355 1.00 2.24 H new ATOM 0 HD22 ASN A 169 -10.077 -7.233 7.948 1.00 2.24 H new ATOM 2802 N ASP A 170 -12.807 -6.086 12.402 1.00 1.10 N ATOM 2803 CA ASP A 170 -12.701 -6.845 13.667 1.00 1.23 C ATOM 2804 C ASP A 170 -12.079 -8.255 13.533 1.00 1.64 C ATOM 2805 O ASP A 170 -11.566 -8.786 14.519 1.00 1.89 O ATOM 2806 CB ASP A 170 -14.038 -6.875 14.440 1.00 1.88 C ATOM 2807 CG ASP A 170 -14.135 -5.705 15.426 1.00 2.36 C ATOM 2808 OD1 ASP A 170 -13.583 -5.820 16.546 1.00 2.75 O ATOM 2809 OD2 ASP A 170 -14.732 -4.656 15.092 1.00 3.35 O ATOM 0 H ASP A 170 -12.247 -5.234 12.427 1.00 1.10 H new ATOM 0 HA ASP A 170 -11.981 -6.283 14.261 1.00 1.23 H new ATOM 0 HB2 ASP A 170 -14.869 -6.831 13.736 1.00 1.88 H new ATOM 0 HB3 ASP A 170 -14.128 -7.818 14.980 1.00 1.88 H new ATOM 2814 N GLU A 171 -12.058 -8.841 12.329 1.00 2.20 N ATOM 2815 CA GLU A 171 -11.213 -9.988 11.959 1.00 3.21 C ATOM 2816 C GLU A 171 -9.778 -9.543 11.635 1.00 3.86 C ATOM 2817 O GLU A 171 -8.859 -9.941 12.386 1.00 4.61 O ATOM 2818 CB GLU A 171 -11.811 -10.764 10.770 1.00 3.73 C ATOM 2819 CG GLU A 171 -13.194 -11.369 11.051 1.00 3.83 C ATOM 2820 CD GLU A 171 -13.646 -12.318 9.914 1.00 4.64 C ATOM 2821 OE1 GLU A 171 -13.754 -11.878 8.742 1.00 5.10 O ATOM 2822 OE2 GLU A 171 -13.921 -13.514 10.188 1.00 5.33 O ATOM 2823 OXT GLU A 171 -9.589 -8.820 10.626 1.00 4.19 O ATOM 0 H GLU A 171 -12.647 -8.521 11.560 1.00 2.20 H new ATOM 0 HA GLU A 171 -11.179 -10.654 12.821 1.00 3.21 H new ATOM 0 HB2 GLU A 171 -11.886 -10.094 9.913 1.00 3.73 H new ATOM 0 HB3 GLU A 171 -11.126 -11.564 10.490 1.00 3.73 H new ATOM 0 HG2 GLU A 171 -13.167 -11.917 11.993 1.00 3.83 H new ATOM 0 HG3 GLU A 171 -13.924 -10.568 11.169 1.00 3.83 H new TER 2830 GLU A 171 HETATM 2831 C8 HTF A 172 -4.491 -9.248 -8.105 1.00 1.26 C HETATM 2832 C7 HTF A 172 -3.617 -9.768 -6.964 1.00 1.84 C HETATM 2833 C6 HTF A 172 -2.952 -8.588 -6.250 1.00 1.33 C HETATM 2834 C5 HTF A 172 -2.054 -9.070 -5.101 1.00 2.15 C HETATM 2835 C4 HTF A 172 -1.514 -7.953 -4.191 1.00 1.70 C HETATM 2836 C3 HTF A 172 -0.275 -7.199 -4.703 1.00 1.68 C HETATM 2837 C2 HTF A 172 -0.514 -6.363 -5.970 1.00 2.46 C HETATM 2838 C1 HTF A 172 0.570 -5.320 -6.190 1.00 1.97 C HETATM 2839 O1 HTF A 172 0.338 -4.134 -5.977 1.00 2.86 O HETATM 2840 N HTF A 172 1.756 -5.746 -6.613 1.00 1.43 N HETATM 2841 CA HTF A 172 2.948 -4.893 -6.670 1.00 1.36 C HETATM 2842 C HTF A 172 3.853 -5.038 -7.890 1.00 1.95 C HETATM 2843 O HTF A 172 3.428 -5.104 -9.044 1.00 3.12 O HETATM 2844 OD HTF A 172 5.118 -5.106 -7.516 1.00 2.64 O HETATM 2845 CG HTF A 172 5.260 -4.974 -6.112 1.00 3.27 C HETATM 2846 CB HTF A 172 3.877 -5.284 -5.532 1.00 2.64 C HETATM 0 HN HTF A 172 1.842 -6.717 -6.914 1.00 1.43 H new HETATM 0 HG3 HTF A 172 6.011 -5.664 -5.727 1.00 3.27 H new HETATM 0 HG2 HTF A 172 5.582 -3.968 -5.843 1.00 3.27 H new HETATM 0 HB3 HTF A 172 3.677 -4.708 -4.629 1.00 2.64 H new HETATM 0 HB2 HTF A 172 3.774 -6.336 -5.268 1.00 2.64 H new HETATM 0 HA HTF A 172 2.526 -3.888 -6.657 1.00 1.36 H new HETATM 0 H83 HTF A 172 -5.259 -8.588 -7.703 1.00 1.26 H new HETATM 0 H82 HTF A 172 -3.874 -8.697 -8.814 1.00 1.26 H new HETATM 0 H81 HTF A 172 -4.964 -10.088 -8.613 1.00 1.26 H new HETATM 0 H73 HTF A 172 -4.222 -10.339 -6.259 1.00 1.84 H new HETATM 0 H72 HTF A 172 -2.857 -10.446 -7.354 1.00 1.84 H new HETATM 0 H63 HTF A 172 -2.359 -8.015 -6.963 1.00 1.33 H new HETATM 0 H62 HTF A 172 -3.717 -7.917 -5.860 1.00 1.33 H new HETATM 0 H53 HTF A 172 -2.617 -9.776 -4.491 1.00 2.15 H new HETATM 0 H52 HTF A 172 -1.210 -9.615 -5.523 1.00 2.15 H new HETATM 0 H43 HTF A 172 -2.312 -7.229 -4.027 1.00 1.70 H new HETATM 0 H42 HTF A 172 -1.274 -8.388 -3.221 1.00 1.70 H new HETATM 0 H33 HTF A 172 0.086 -6.541 -3.912 1.00 1.68 H new HETATM 0 H32 HTF A 172 0.516 -7.921 -4.904 1.00 1.68 H new HETATM 0 H23 HTF A 172 -0.559 -7.024 -6.835 1.00 2.46 H new HETATM 0 H22 HTF A 172 -1.482 -5.867 -5.897 1.00 2.46 H new