USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 833 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 LYS NZ :NH3+ -172:sc= 1.17 (180deg=-0.0729) USER MOD Set 1.2: A 83 SER OG : rot -115:sc= 0.994 USER MOD Set 2.1: A 25 SER OG : rot 125:sc= 1.07 USER MOD Set 2.2: A 78 TYR OH : rot -171:sc= -1.52! USER MOD Set 3.1: A 1 MET N :NH3+ -156:sc= 1.01 (180deg=0) USER MOD Set 3.2: A 2 GLN : amide:sc= 0.637 K(o=1.6,f=-7.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 1.37 K(o=1.4,f=-0.58) USER MOD Single : A 9 LYS NZ :NH3+ -111:sc= 0.571 (180deg=-0.221) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HE2:sc= 1.24 K(o=1.2,f=-4.5!) USER MOD Single : A 13 THR OG1 : rot -120:sc= 0.825 USER MOD Single : A 14 ASN : amide:sc= -0.0494 X(o=-0.049,f=-0.036) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 26 THR OG1 : rot -76:sc= 1.04 USER MOD Single : A 27 ASN : amide:sc= -0.0491 X(o=-0.049,f=-0.049) USER MOD Single : A 30 HIS : no HE2:sc= -0.546 X(o=-0.55,f=-0.78) USER MOD Single : A 32 LYS NZ :NH3+ 160:sc= -2.45! (180deg=-3.26!) USER MOD Single : A 34 LYS NZ :NH3+ 143:sc= -0.14 (180deg=-0.577) USER MOD Single : A 35 ASN : amide:sc= 2 K(o=2,f=-0.11) USER MOD Single : A 36 THR OG1 : rot -55:sc= 1.25 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.11 USER MOD Single : A 46 LYS NZ :NH3+ -150:sc= 0.231 (180deg=-0.0645) USER MOD Single : A 50 LYS NZ :NH3+ 171:sc=-0.00232 (180deg=-0.079) USER MOD Single : A 55 SER OG : rot 44:sc= 0.0405 USER MOD Single : A 56 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.106) USER MOD Single : A 57 ASN : amide:sc= 1.3 K(o=1.3,f=-6.3!) USER MOD Single : A 60 THR OG1 : rot 110:sc= 0.929 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0409 USER MOD Single : A 62 SER OG : rot 60:sc= 0.104 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -145:sc= 0.377 USER MOD Single : A 70 ASN : amide:sc= -2.41! C(o=-2.4!,f=-5.9!) USER MOD Single : A 72 THR OG1 : rot -75:sc= 0.403 USER MOD Single : A 73 SER OG : rot -26:sc= 0.445 USER MOD Single : A 77 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00258) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 175:sc= 1.31 (180deg=1.2) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.0391 K(o=0.039,f=-6.8!) USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= 2.29 (180deg=2.01) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.83! K(o=-1.8!,f=-0.86) USER MOD Single : A 94 GLN : amide:sc= -2.17! C(o=-2.2!,f=-4.5!) USER MOD Single : A 98 HIS : no HD1:sc= -2.76! K(o=-2.8!,f=-1.4) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.446 15.066 5.204 1.00 2.73 N ATOM 2 CA MET A 1 -4.277 15.153 3.983 1.00 1.99 C ATOM 3 C MET A 1 -3.732 14.208 2.926 1.00 1.53 C ATOM 4 O MET A 1 -2.757 14.528 2.241 1.00 2.16 O ATOM 5 CB MET A 1 -4.288 16.584 3.442 1.00 2.50 C ATOM 6 CG MET A 1 -5.319 16.814 2.349 1.00 3.10 C ATOM 7 SD MET A 1 -7.012 16.650 2.952 1.00 4.10 S ATOM 8 CE MET A 1 -7.936 16.934 1.444 1.00 4.70 C ATOM 0 H1 MET A 1 -4.006 15.365 6.027 1.00 2.73 H new ATOM 0 H2 MET A 1 -3.129 14.085 5.339 1.00 2.73 H new ATOM 0 H3 MET A 1 -2.618 15.687 5.105 1.00 2.73 H new ATOM 0 HA MET A 1 -5.299 14.868 4.234 1.00 1.99 H new ATOM 0 HB2 MET A 1 -4.483 17.273 4.264 1.00 2.50 H new ATOM 0 HB3 MET A 1 -3.299 16.824 3.053 1.00 2.50 H new ATOM 0 HG2 MET A 1 -5.181 17.810 1.928 1.00 3.10 H new ATOM 0 HG3 MET A 1 -5.153 16.101 1.542 1.00 3.10 H new ATOM 0 HE1 MET A 1 -9.004 16.865 1.653 1.00 4.70 H new ATOM 0 HE2 MET A 1 -7.705 17.927 1.057 1.00 4.70 H new ATOM 0 HE3 MET A 1 -7.662 16.183 0.703 1.00 4.70 H new ATOM 20 N GLN A 2 -4.346 13.043 2.816 1.00 0.97 N ATOM 21 CA GLN A 2 -3.910 12.027 1.874 1.00 0.74 C ATOM 22 C GLN A 2 -5.064 11.076 1.584 1.00 0.65 C ATOM 23 O GLN A 2 -5.729 10.596 2.506 1.00 0.86 O ATOM 24 CB GLN A 2 -2.684 11.258 2.400 1.00 1.18 C ATOM 25 CG GLN A 2 -2.957 10.375 3.609 1.00 1.83 C ATOM 26 CD GLN A 2 -2.720 11.059 4.948 1.00 2.42 C ATOM 27 OE1 GLN A 2 -2.867 12.272 5.093 1.00 2.91 O ATOM 28 NE2 GLN A 2 -2.364 10.272 5.949 1.00 3.09 N ATOM 0 H GLN A 2 -5.157 12.775 3.374 1.00 0.97 H new ATOM 0 HA GLN A 2 -3.607 12.518 0.949 1.00 0.74 H new ATOM 0 HB2 GLN A 2 -2.289 10.637 1.596 1.00 1.18 H new ATOM 0 HB3 GLN A 2 -1.906 11.976 2.660 1.00 1.18 H new ATOM 0 HG2 GLN A 2 -3.990 10.031 3.567 1.00 1.83 H new ATOM 0 HG3 GLN A 2 -2.324 9.490 3.549 1.00 1.83 H new ATOM 0 HE21 GLN A 2 -2.251 9.270 5.795 1.00 3.09 H new ATOM 0 HE22 GLN A 2 -2.203 10.667 6.876 1.00 3.09 H new ATOM 37 N ASP A 3 -5.320 10.820 0.310 1.00 0.48 N ATOM 38 CA ASP A 3 -6.467 10.014 -0.085 1.00 0.44 C ATOM 39 C ASP A 3 -6.105 9.064 -1.217 1.00 0.32 C ATOM 40 O ASP A 3 -4.930 8.835 -1.486 1.00 0.32 O ATOM 41 CB ASP A 3 -7.632 10.911 -0.500 1.00 0.55 C ATOM 42 CG ASP A 3 -8.190 11.722 0.655 1.00 1.30 C ATOM 43 OD1 ASP A 3 -7.707 12.853 0.895 1.00 1.67 O ATOM 44 OD2 ASP A 3 -9.110 11.231 1.343 1.00 1.97 O ATOM 0 H ASP A 3 -4.751 11.157 -0.467 1.00 0.48 H new ATOM 0 HA ASP A 3 -6.771 9.418 0.775 1.00 0.44 H new ATOM 0 HB2 ASP A 3 -7.301 11.588 -1.287 1.00 0.55 H new ATOM 0 HB3 ASP A 3 -8.426 10.295 -0.923 1.00 0.55 H new ATOM 49 N TRP A 4 -7.131 8.536 -1.882 1.00 0.32 N ATOM 50 CA TRP A 4 -6.984 7.477 -2.885 1.00 0.27 C ATOM 51 C TRP A 4 -5.936 7.797 -3.955 1.00 0.24 C ATOM 52 O TRP A 4 -5.162 6.927 -4.347 1.00 0.25 O ATOM 53 CB TRP A 4 -8.345 7.214 -3.538 1.00 0.29 C ATOM 54 CG TRP A 4 -8.333 6.145 -4.592 1.00 0.28 C ATOM 55 CD1 TRP A 4 -8.692 6.288 -5.902 1.00 0.33 C ATOM 56 CD2 TRP A 4 -7.956 4.772 -4.427 1.00 0.23 C ATOM 57 NE1 TRP A 4 -8.558 5.089 -6.558 1.00 0.32 N ATOM 58 CE2 TRP A 4 -8.107 4.147 -5.677 1.00 0.25 C ATOM 59 CE3 TRP A 4 -7.500 4.011 -3.349 1.00 0.20 C ATOM 60 CZ2 TRP A 4 -7.824 2.801 -5.874 1.00 0.24 C ATOM 61 CZ3 TRP A 4 -7.223 2.671 -3.547 1.00 0.20 C ATOM 62 CH2 TRP A 4 -7.383 2.080 -4.801 1.00 0.22 C ATOM 0 H TRP A 4 -8.097 8.832 -1.740 1.00 0.32 H new ATOM 0 HA TRP A 4 -6.627 6.586 -2.368 1.00 0.27 H new ATOM 0 HB2 TRP A 4 -9.058 6.934 -2.762 1.00 0.29 H new ATOM 0 HB3 TRP A 4 -8.706 8.141 -3.983 1.00 0.29 H new ATOM 0 HD1 TRP A 4 -9.031 7.208 -6.355 1.00 0.33 H new ATOM 0 HE1 TRP A 4 -8.762 4.928 -7.544 1.00 0.32 H new ATOM 0 HE3 TRP A 4 -7.366 4.462 -2.377 1.00 0.20 H new ATOM 0 HZ2 TRP A 4 -7.949 2.340 -6.843 1.00 0.24 H new ATOM 0 HZ3 TRP A 4 -6.877 2.072 -2.718 1.00 0.20 H new ATOM 0 HH2 TRP A 4 -7.154 1.032 -4.926 1.00 0.22 H new ATOM 73 N LEU A 5 -5.904 9.037 -4.420 1.00 0.28 N ATOM 74 CA LEU A 5 -4.991 9.422 -5.492 1.00 0.32 C ATOM 75 C LEU A 5 -3.533 9.294 -5.042 1.00 0.32 C ATOM 76 O LEU A 5 -2.691 8.743 -5.759 1.00 0.35 O ATOM 77 CB LEU A 5 -5.273 10.856 -5.950 1.00 0.42 C ATOM 78 CG LEU A 5 -6.617 11.088 -6.659 1.00 0.54 C ATOM 79 CD1 LEU A 5 -6.795 10.110 -7.812 1.00 0.75 C ATOM 80 CD2 LEU A 5 -7.786 10.991 -5.686 1.00 0.84 C ATOM 0 H LEU A 5 -6.496 9.793 -4.075 1.00 0.28 H new ATOM 0 HA LEU A 5 -5.155 8.745 -6.330 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -5.228 11.509 -5.079 1.00 0.42 H new ATOM 0 HB3 LEU A 5 -4.473 11.165 -6.622 1.00 0.42 H new ATOM 0 HG LEU A 5 -6.606 12.100 -7.063 1.00 0.54 H new ATOM 0 HD11 LEU A 5 -7.753 10.292 -8.299 1.00 0.75 H new ATOM 0 HD12 LEU A 5 -5.989 10.247 -8.533 1.00 0.75 H new ATOM 0 HD13 LEU A 5 -6.771 9.089 -7.430 1.00 0.75 H new ATOM 0 HD21 LEU A 5 -8.720 11.160 -6.222 1.00 0.84 H new ATOM 0 HD22 LEU A 5 -7.802 9.999 -5.234 1.00 0.84 H new ATOM 0 HD23 LEU A 5 -7.673 11.744 -4.906 1.00 0.84 H new ATOM 92 N THR A 6 -3.240 9.803 -3.855 1.00 0.34 N ATOM 93 CA THR A 6 -1.905 9.695 -3.289 1.00 0.40 C ATOM 94 C THR A 6 -1.648 8.264 -2.817 1.00 0.35 C ATOM 95 O THR A 6 -0.534 7.745 -2.940 1.00 0.37 O ATOM 96 CB THR A 6 -1.718 10.681 -2.116 1.00 0.52 C ATOM 97 OG1 THR A 6 -1.993 12.020 -2.552 1.00 0.59 O ATOM 98 CG2 THR A 6 -0.303 10.617 -1.570 1.00 0.61 C ATOM 0 H THR A 6 -3.910 10.296 -3.265 1.00 0.34 H new ATOM 0 HA THR A 6 -1.185 9.950 -4.067 1.00 0.40 H new ATOM 0 HB THR A 6 -2.413 10.398 -1.326 1.00 0.52 H new ATOM 0 HG1 THR A 6 -1.874 12.639 -1.802 1.00 0.59 H new ATOM 0 HG21 THR A 6 -0.199 11.322 -0.745 1.00 0.61 H new ATOM 0 HG22 THR A 6 -0.096 9.608 -1.214 1.00 0.61 H new ATOM 0 HG23 THR A 6 0.403 10.876 -2.359 1.00 0.61 H new ATOM 106 N PHE A 7 -2.696 7.631 -2.301 1.00 0.29 N ATOM 107 CA PHE A 7 -2.642 6.239 -1.870 1.00 0.26 C ATOM 108 C PHE A 7 -2.159 5.353 -3.011 1.00 0.23 C ATOM 109 O PHE A 7 -1.337 4.463 -2.810 1.00 0.24 O ATOM 110 CB PHE A 7 -4.033 5.795 -1.398 1.00 0.24 C ATOM 111 CG PHE A 7 -4.089 4.414 -0.807 1.00 0.24 C ATOM 112 CD1 PHE A 7 -4.162 3.295 -1.622 1.00 0.22 C ATOM 113 CD2 PHE A 7 -4.081 4.237 0.569 1.00 0.28 C ATOM 114 CE1 PHE A 7 -4.221 2.027 -1.078 1.00 0.23 C ATOM 115 CE2 PHE A 7 -4.143 2.970 1.117 1.00 0.29 C ATOM 116 CZ PHE A 7 -4.212 1.865 0.293 1.00 0.27 C ATOM 0 H PHE A 7 -3.608 8.069 -2.170 1.00 0.29 H new ATOM 0 HA PHE A 7 -1.939 6.145 -1.043 1.00 0.26 H new ATOM 0 HB2 PHE A 7 -4.393 6.507 -0.656 1.00 0.24 H new ATOM 0 HB3 PHE A 7 -4.720 5.841 -2.243 1.00 0.24 H new ATOM 0 HD1 PHE A 7 -4.173 3.416 -2.695 1.00 0.22 H new ATOM 0 HD2 PHE A 7 -4.026 5.098 1.218 1.00 0.28 H new ATOM 0 HE1 PHE A 7 -4.274 1.163 -1.724 1.00 0.23 H new ATOM 0 HE2 PHE A 7 -4.137 2.844 2.190 1.00 0.29 H new ATOM 0 HZ PHE A 7 -4.259 0.874 0.720 1.00 0.27 H new ATOM 126 N GLN A 8 -2.672 5.623 -4.205 1.00 0.23 N ATOM 127 CA GLN A 8 -2.291 4.899 -5.408 1.00 0.24 C ATOM 128 C GLN A 8 -0.789 4.894 -5.624 1.00 0.24 C ATOM 129 O GLN A 8 -0.155 3.843 -5.590 1.00 0.25 O ATOM 130 CB GLN A 8 -2.935 5.542 -6.618 1.00 0.27 C ATOM 131 CG GLN A 8 -4.340 5.064 -6.909 1.00 0.27 C ATOM 132 CD GLN A 8 -4.957 5.807 -8.076 1.00 0.32 C ATOM 133 OE1 GLN A 8 -4.261 6.229 -9.002 1.00 0.61 O ATOM 134 NE2 GLN A 8 -6.262 5.987 -8.034 1.00 0.45 N ATOM 0 H GLN A 8 -3.366 6.353 -4.365 1.00 0.23 H new ATOM 0 HA GLN A 8 -2.629 3.871 -5.280 1.00 0.24 H new ATOM 0 HB2 GLN A 8 -2.955 6.622 -6.472 1.00 0.27 H new ATOM 0 HB3 GLN A 8 -2.311 5.350 -7.491 1.00 0.27 H new ATOM 0 HG2 GLN A 8 -4.323 3.996 -7.126 1.00 0.27 H new ATOM 0 HG3 GLN A 8 -4.961 5.199 -6.023 1.00 0.27 H new ATOM 0 HE21 GLN A 8 -6.802 5.622 -7.250 1.00 0.45 H new ATOM 0 HE22 GLN A 8 -6.732 6.491 -8.786 1.00 0.45 H new ATOM 143 N LYS A 9 -0.235 6.080 -5.846 1.00 0.26 N ATOM 144 CA LYS A 9 1.183 6.236 -6.157 1.00 0.29 C ATOM 145 C LYS A 9 2.057 5.507 -5.146 1.00 0.29 C ATOM 146 O LYS A 9 3.089 4.933 -5.491 1.00 0.33 O ATOM 147 CB LYS A 9 1.544 7.719 -6.153 1.00 0.32 C ATOM 148 CG LYS A 9 0.748 8.543 -7.148 1.00 0.33 C ATOM 149 CD LYS A 9 0.851 10.028 -6.848 1.00 0.67 C ATOM 150 CE LYS A 9 0.020 10.853 -7.815 1.00 1.20 C ATOM 151 NZ LYS A 9 -1.432 10.548 -7.706 1.00 1.88 N ATOM 0 H LYS A 9 -0.753 6.958 -5.816 1.00 0.26 H new ATOM 0 HA LYS A 9 1.363 5.804 -7.142 1.00 0.29 H new ATOM 0 HB2 LYS A 9 1.384 8.120 -5.152 1.00 0.32 H new ATOM 0 HB3 LYS A 9 2.606 7.826 -6.373 1.00 0.32 H new ATOM 0 HG2 LYS A 9 1.112 8.348 -8.157 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -0.298 8.237 -7.122 1.00 0.33 H new ATOM 0 HD2 LYS A 9 0.518 10.218 -5.828 1.00 0.67 H new ATOM 0 HD3 LYS A 9 1.894 10.340 -6.906 1.00 0.67 H new ATOM 0 HE2 LYS A 9 0.183 11.913 -7.620 1.00 1.20 H new ATOM 0 HE3 LYS A 9 0.355 10.662 -8.835 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 -1.749 10.059 -8.567 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 -1.598 9.938 -6.880 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 -1.965 11.434 -7.595 1.00 1.88 H new ATOM 165 N LYS A 10 1.626 5.545 -3.900 1.00 0.28 N ATOM 166 CA LYS A 10 2.429 5.033 -2.801 1.00 0.30 C ATOM 167 C LYS A 10 2.134 3.572 -2.460 1.00 0.26 C ATOM 168 O LYS A 10 2.921 2.931 -1.769 1.00 0.29 O ATOM 169 CB LYS A 10 2.243 5.909 -1.561 1.00 0.38 C ATOM 170 CG LYS A 10 2.693 7.344 -1.761 1.00 0.63 C ATOM 171 CD LYS A 10 2.631 8.132 -0.465 1.00 0.73 C ATOM 172 CE LYS A 10 2.989 9.592 -0.684 1.00 1.10 C ATOM 173 NZ LYS A 10 3.016 10.359 0.588 1.00 1.34 N ATOM 0 H LYS A 10 0.722 5.926 -3.621 1.00 0.28 H new ATOM 0 HA LYS A 10 3.466 5.070 -3.134 1.00 0.30 H new ATOM 0 HB2 LYS A 10 1.191 5.903 -1.276 1.00 0.38 H new ATOM 0 HB3 LYS A 10 2.801 5.474 -0.732 1.00 0.38 H new ATOM 0 HG2 LYS A 10 3.712 7.356 -2.147 1.00 0.63 H new ATOM 0 HG3 LYS A 10 2.062 7.823 -2.510 1.00 0.63 H new ATOM 0 HD2 LYS A 10 1.629 8.061 -0.043 1.00 0.73 H new ATOM 0 HD3 LYS A 10 3.315 7.694 0.262 1.00 0.73 H new ATOM 0 HE2 LYS A 10 3.964 9.657 -1.166 1.00 1.10 H new ATOM 0 HE3 LYS A 10 2.266 10.044 -1.364 1.00 1.10 H new ATOM 0 HZ1 LYS A 10 3.264 11.349 0.391 1.00 1.34 H new ATOM 0 HZ2 LYS A 10 2.079 10.320 1.037 1.00 1.34 H new ATOM 0 HZ3 LYS A 10 3.724 9.945 1.228 1.00 1.34 H new ATOM 187 N HIS A 11 1.008 3.034 -2.908 1.00 0.25 N ATOM 188 CA HIS A 11 0.617 1.695 -2.465 1.00 0.24 C ATOM 189 C HIS A 11 0.206 0.773 -3.603 1.00 0.23 C ATOM 190 O HIS A 11 0.148 -0.437 -3.417 1.00 0.26 O ATOM 191 CB HIS A 11 -0.514 1.768 -1.434 1.00 0.26 C ATOM 192 CG HIS A 11 -0.091 2.345 -0.115 1.00 0.28 C ATOM 193 ND1 HIS A 11 0.518 1.601 0.874 1.00 0.29 N ATOM 194 CD2 HIS A 11 -0.181 3.605 0.371 1.00 0.35 C ATOM 195 CE1 HIS A 11 0.783 2.379 1.908 1.00 0.34 C ATOM 196 NE2 HIS A 11 0.371 3.602 1.630 1.00 0.37 N ATOM 0 H HIS A 11 0.364 3.484 -3.558 1.00 0.25 H new ATOM 0 HA HIS A 11 1.510 1.266 -2.010 1.00 0.24 H new ATOM 0 HB2 HIS A 11 -1.326 2.371 -1.841 1.00 0.26 H new ATOM 0 HB3 HIS A 11 -0.911 0.766 -1.272 1.00 0.26 H new ATOM 0 HD1 HIS A 11 0.731 0.605 0.816 1.00 0.29 H new ATOM 0 HD2 HIS A 11 -0.608 4.457 -0.137 1.00 0.35 H new ATOM 0 HE1 HIS A 11 1.257 2.067 2.827 1.00 0.34 H new ATOM 205 N ILE A 12 -0.070 1.315 -4.773 1.00 0.23 N ATOM 206 CA ILE A 12 -0.523 0.488 -5.881 1.00 0.24 C ATOM 207 C ILE A 12 0.631 0.194 -6.833 1.00 0.23 C ATOM 208 O ILE A 12 1.045 1.053 -7.616 1.00 0.30 O ATOM 209 CB ILE A 12 -1.690 1.155 -6.655 1.00 0.28 C ATOM 210 CG1 ILE A 12 -2.863 1.454 -5.715 1.00 0.36 C ATOM 211 CG2 ILE A 12 -2.155 0.276 -7.807 1.00 0.28 C ATOM 212 CD1 ILE A 12 -3.440 0.229 -5.033 1.00 0.48 C ATOM 0 H ILE A 12 0.009 2.310 -4.983 1.00 0.23 H new ATOM 0 HA ILE A 12 -0.890 -0.448 -5.460 1.00 0.24 H new ATOM 0 HB ILE A 12 -1.322 2.095 -7.066 1.00 0.28 H new ATOM 0 HG12 ILE A 12 -2.532 2.159 -4.952 1.00 0.36 H new ATOM 0 HG13 ILE A 12 -3.653 1.946 -6.283 1.00 0.36 H new ATOM 0 HG21 ILE A 12 -2.974 0.768 -8.332 1.00 0.28 H new ATOM 0 HG22 ILE A 12 -1.327 0.113 -8.497 1.00 0.28 H new ATOM 0 HG23 ILE A 12 -2.498 -0.683 -7.418 1.00 0.28 H new ATOM 0 HD11 ILE A 12 -4.265 0.527 -4.386 1.00 0.48 H new ATOM 0 HD12 ILE A 12 -3.804 -0.469 -5.787 1.00 0.48 H new ATOM 0 HD13 ILE A 12 -2.666 -0.253 -4.435 1.00 0.48 H new ATOM 224 N THR A 13 1.152 -1.022 -6.755 1.00 0.20 N ATOM 225 CA THR A 13 2.233 -1.438 -7.629 1.00 0.21 C ATOM 226 C THR A 13 1.749 -2.540 -8.562 1.00 0.22 C ATOM 227 O THR A 13 0.920 -3.373 -8.186 1.00 0.24 O ATOM 228 CB THR A 13 3.486 -1.918 -6.846 1.00 0.21 C ATOM 229 OG1 THR A 13 4.528 -2.290 -7.760 1.00 0.30 O ATOM 230 CG2 THR A 13 3.174 -3.101 -5.943 1.00 0.21 C ATOM 0 H THR A 13 0.842 -1.735 -6.095 1.00 0.20 H new ATOM 0 HA THR A 13 2.533 -0.564 -8.207 1.00 0.21 H new ATOM 0 HB THR A 13 3.812 -1.086 -6.221 1.00 0.21 H new ATOM 0 HG1 THR A 13 4.763 -3.231 -7.623 1.00 0.30 H new ATOM 0 HG21 THR A 13 4.078 -3.404 -5.415 1.00 0.21 H new ATOM 0 HG22 THR A 13 2.410 -2.815 -5.220 1.00 0.21 H new ATOM 0 HG23 THR A 13 2.810 -3.933 -6.546 1.00 0.21 H new ATOM 238 N ASN A 14 2.255 -2.540 -9.780 1.00 0.28 N ATOM 239 CA ASN A 14 1.863 -3.541 -10.757 1.00 0.33 C ATOM 240 C ASN A 14 3.008 -4.509 -10.995 1.00 0.32 C ATOM 241 O ASN A 14 3.004 -5.288 -11.949 1.00 0.36 O ATOM 242 CB ASN A 14 1.421 -2.880 -12.070 1.00 0.46 C ATOM 243 CG ASN A 14 2.493 -1.996 -12.673 1.00 1.36 C ATOM 244 OD1 ASN A 14 3.320 -2.452 -13.459 1.00 2.20 O ATOM 245 ND2 ASN A 14 2.482 -0.723 -12.310 1.00 2.08 N ATOM 0 H ASN A 14 2.937 -1.861 -10.117 1.00 0.28 H new ATOM 0 HA ASN A 14 1.012 -4.098 -10.365 1.00 0.33 H new ATOM 0 HB2 ASN A 14 1.149 -3.654 -12.787 1.00 0.46 H new ATOM 0 HB3 ASN A 14 0.526 -2.285 -11.888 1.00 0.46 H new ATOM 0 HD21 ASN A 14 3.178 -0.079 -12.686 1.00 2.08 H new ATOM 0 HD22 ASN A 14 1.777 -0.386 -11.654 1.00 2.08 H new ATOM 252 N THR A 15 3.980 -4.459 -10.098 1.00 0.33 N ATOM 253 CA THR A 15 5.086 -5.397 -10.103 1.00 0.36 C ATOM 254 C THR A 15 5.360 -5.875 -8.679 1.00 0.33 C ATOM 255 O THR A 15 5.255 -5.097 -7.724 1.00 0.36 O ATOM 256 CB THR A 15 6.364 -4.769 -10.717 1.00 0.42 C ATOM 257 OG1 THR A 15 7.463 -5.689 -10.647 1.00 0.48 O ATOM 258 CG2 THR A 15 6.737 -3.470 -10.012 1.00 0.43 C ATOM 0 H THR A 15 4.023 -3.768 -9.349 1.00 0.33 H new ATOM 0 HA THR A 15 4.808 -6.248 -10.725 1.00 0.36 H new ATOM 0 HB THR A 15 6.149 -4.546 -11.762 1.00 0.42 H new ATOM 0 HG1 THR A 15 8.260 -5.277 -11.040 1.00 0.48 H new ATOM 0 HG21 THR A 15 7.637 -3.055 -10.466 1.00 0.43 H new ATOM 0 HG22 THR A 15 5.919 -2.756 -10.109 1.00 0.43 H new ATOM 0 HG23 THR A 15 6.922 -3.669 -8.956 1.00 0.43 H new ATOM 266 N ARG A 16 5.669 -7.160 -8.531 1.00 0.32 N ATOM 267 CA ARG A 16 5.991 -7.726 -7.226 1.00 0.31 C ATOM 268 C ARG A 16 7.261 -7.100 -6.685 1.00 0.33 C ATOM 269 O ARG A 16 7.419 -6.916 -5.475 1.00 0.45 O ATOM 270 CB ARG A 16 6.170 -9.245 -7.304 1.00 0.36 C ATOM 271 CG ARG A 16 4.895 -10.003 -7.607 1.00 0.45 C ATOM 272 CD ARG A 16 3.871 -9.782 -6.512 1.00 0.38 C ATOM 273 NE ARG A 16 4.307 -10.311 -5.220 1.00 0.32 N ATOM 274 CZ ARG A 16 4.313 -9.601 -4.091 1.00 0.40 C ATOM 275 NH1 ARG A 16 3.990 -8.315 -4.110 1.00 0.49 N ATOM 276 NH2 ARG A 16 4.651 -10.170 -2.942 1.00 0.51 N ATOM 0 H ARG A 16 5.703 -7.829 -9.300 1.00 0.32 H new ATOM 0 HA ARG A 16 5.158 -7.509 -6.558 1.00 0.31 H new ATOM 0 HB2 ARG A 16 6.908 -9.474 -8.073 1.00 0.36 H new ATOM 0 HB3 ARG A 16 6.576 -9.601 -6.357 1.00 0.36 H new ATOM 0 HG2 ARG A 16 4.489 -9.675 -8.564 1.00 0.45 H new ATOM 0 HG3 ARG A 16 5.112 -11.067 -7.701 1.00 0.45 H new ATOM 0 HD2 ARG A 16 3.672 -8.715 -6.415 1.00 0.38 H new ATOM 0 HD3 ARG A 16 2.932 -10.256 -6.797 1.00 0.38 H new ATOM 0 HE ARG A 16 4.625 -11.279 -5.180 1.00 0.32 H new ATOM 0 HH11 ARG A 16 3.736 -7.866 -4.990 1.00 0.49 H new ATOM 0 HH12 ARG A 16 3.996 -7.775 -3.245 1.00 0.49 H new ATOM 0 HH21 ARG A 16 4.909 -11.157 -2.918 1.00 0.51 H new ATOM 0 HH22 ARG A 16 4.653 -9.621 -2.082 1.00 0.51 H new ATOM 290 N ASP A 17 8.159 -6.765 -7.594 1.00 0.37 N ATOM 291 CA ASP A 17 9.431 -6.185 -7.220 1.00 0.42 C ATOM 292 C ASP A 17 9.381 -4.677 -7.392 1.00 0.36 C ATOM 293 O ASP A 17 9.797 -4.145 -8.420 1.00 0.46 O ATOM 294 CB ASP A 17 10.556 -6.779 -8.070 1.00 0.60 C ATOM 295 CG ASP A 17 11.928 -6.542 -7.471 1.00 1.16 C ATOM 296 OD1 ASP A 17 12.503 -5.461 -7.727 1.00 1.40 O ATOM 297 OD2 ASP A 17 12.428 -7.415 -6.737 1.00 1.94 O ATOM 0 H ASP A 17 8.028 -6.886 -8.598 1.00 0.37 H new ATOM 0 HA ASP A 17 9.630 -6.415 -6.173 1.00 0.42 H new ATOM 0 HB2 ASP A 17 10.393 -7.851 -8.183 1.00 0.60 H new ATOM 0 HB3 ASP A 17 10.520 -6.344 -9.069 1.00 0.60 H new ATOM 302 N VAL A 18 8.807 -3.993 -6.415 1.00 0.31 N ATOM 303 CA VAL A 18 8.796 -2.542 -6.430 1.00 0.29 C ATOM 304 C VAL A 18 10.203 -2.021 -6.149 1.00 0.29 C ATOM 305 O VAL A 18 10.850 -2.445 -5.192 1.00 0.35 O ATOM 306 CB VAL A 18 7.772 -1.938 -5.427 1.00 0.36 C ATOM 307 CG1 VAL A 18 7.743 -2.699 -4.109 1.00 0.53 C ATOM 308 CG2 VAL A 18 8.080 -0.472 -5.179 1.00 0.58 C ATOM 0 H VAL A 18 8.347 -4.416 -5.609 1.00 0.31 H new ATOM 0 HA VAL A 18 8.476 -2.223 -7.422 1.00 0.29 H new ATOM 0 HB VAL A 18 6.784 -2.029 -5.878 1.00 0.36 H new ATOM 0 HG11 VAL A 18 7.014 -2.241 -3.441 1.00 0.53 H new ATOM 0 HG12 VAL A 18 7.465 -3.736 -4.294 1.00 0.53 H new ATOM 0 HG13 VAL A 18 8.730 -2.665 -3.647 1.00 0.53 H new ATOM 0 HG21 VAL A 18 7.356 -0.062 -4.475 1.00 0.58 H new ATOM 0 HG22 VAL A 18 9.083 -0.376 -4.764 1.00 0.58 H new ATOM 0 HG23 VAL A 18 8.022 0.076 -6.119 1.00 0.58 H new ATOM 318 N ASP A 19 10.677 -1.117 -7.001 1.00 0.34 N ATOM 319 CA ASP A 19 12.050 -0.620 -6.923 1.00 0.41 C ATOM 320 C ASP A 19 12.188 0.414 -5.809 1.00 0.39 C ATOM 321 O ASP A 19 12.491 1.582 -6.053 1.00 0.46 O ATOM 322 CB ASP A 19 12.458 -0.020 -8.270 1.00 0.58 C ATOM 323 CG ASP A 19 13.937 -0.168 -8.561 1.00 1.11 C ATOM 324 OD1 ASP A 19 14.394 -1.314 -8.759 1.00 1.28 O ATOM 325 OD2 ASP A 19 14.641 0.860 -8.639 1.00 1.91 O ATOM 0 H ASP A 19 10.128 -0.711 -7.758 1.00 0.34 H new ATOM 0 HA ASP A 19 12.714 -1.453 -6.690 1.00 0.41 H new ATOM 0 HB2 ASP A 19 11.887 -0.502 -9.064 1.00 0.58 H new ATOM 0 HB3 ASP A 19 12.195 1.038 -8.285 1.00 0.58 H new ATOM 330 N CYS A 20 11.930 -0.039 -4.591 1.00 0.38 N ATOM 331 CA CYS A 20 11.907 0.807 -3.404 1.00 0.40 C ATOM 332 C CYS A 20 13.164 1.651 -3.215 1.00 0.38 C ATOM 333 O CYS A 20 13.061 2.828 -2.870 1.00 0.39 O ATOM 334 CB CYS A 20 11.637 -0.049 -2.174 1.00 0.51 C ATOM 335 SG CYS A 20 9.899 -0.571 -2.063 1.00 0.93 S ATOM 0 H CYS A 20 11.728 -1.019 -4.395 1.00 0.38 H new ATOM 0 HA CYS A 20 11.100 1.525 -3.547 1.00 0.40 H new ATOM 0 HB2 CYS A 20 12.278 -0.930 -2.200 1.00 0.51 H new ATOM 0 HB3 CYS A 20 11.903 0.512 -1.278 1.00 0.51 H new ATOM 340 N ASP A 21 14.341 1.068 -3.425 1.00 0.47 N ATOM 341 CA ASP A 21 15.597 1.808 -3.267 1.00 0.59 C ATOM 342 C ASP A 21 15.625 3.063 -4.143 1.00 0.53 C ATOM 343 O ASP A 21 16.362 4.007 -3.863 1.00 0.64 O ATOM 344 CB ASP A 21 16.819 0.923 -3.561 1.00 0.85 C ATOM 345 CG ASP A 21 16.955 0.534 -5.022 1.00 1.36 C ATOM 346 OD1 ASP A 21 17.449 1.359 -5.818 1.00 1.66 O ATOM 347 OD2 ASP A 21 16.587 -0.610 -5.369 1.00 2.26 O ATOM 0 H ASP A 21 14.455 0.093 -3.703 1.00 0.47 H new ATOM 0 HA ASP A 21 15.649 2.120 -2.224 1.00 0.59 H new ATOM 0 HB2 ASP A 21 17.721 1.450 -3.249 1.00 0.85 H new ATOM 0 HB3 ASP A 21 16.754 0.017 -2.958 1.00 0.85 H new ATOM 352 N ASN A 22 14.809 3.079 -5.190 1.00 0.50 N ATOM 353 CA ASN A 22 14.672 4.258 -6.035 1.00 0.49 C ATOM 354 C ASN A 22 13.383 5.001 -5.724 1.00 0.42 C ATOM 355 O ASN A 22 13.398 6.193 -5.411 1.00 0.43 O ATOM 356 CB ASN A 22 14.678 3.868 -7.512 1.00 0.59 C ATOM 357 CG ASN A 22 14.526 5.068 -8.427 1.00 0.69 C ATOM 358 OD1 ASN A 22 13.412 5.467 -8.773 1.00 1.07 O ATOM 359 ND2 ASN A 22 15.642 5.647 -8.830 1.00 1.14 N ATOM 0 H ASN A 22 14.232 2.288 -5.474 1.00 0.50 H new ATOM 0 HA ASN A 22 15.521 4.910 -5.829 1.00 0.49 H new ATOM 0 HB2 ASN A 22 15.610 3.352 -7.745 1.00 0.59 H new ATOM 0 HB3 ASN A 22 13.868 3.164 -7.703 1.00 0.59 H new ATOM 0 HD21 ASN A 22 15.602 6.455 -9.451 1.00 1.14 H new ATOM 0 HD22 ASN A 22 16.544 5.286 -8.521 1.00 1.14 H new ATOM 366 N ILE A 23 12.274 4.278 -5.810 1.00 0.40 N ATOM 367 CA ILE A 23 10.942 4.848 -5.622 1.00 0.38 C ATOM 368 C ILE A 23 10.811 5.554 -4.274 1.00 0.33 C ATOM 369 O ILE A 23 10.291 6.665 -4.203 1.00 0.34 O ATOM 370 CB ILE A 23 9.852 3.756 -5.760 1.00 0.39 C ATOM 371 CG1 ILE A 23 9.853 3.206 -7.191 1.00 0.45 C ATOM 372 CG2 ILE A 23 8.474 4.299 -5.396 1.00 0.40 C ATOM 373 CD1 ILE A 23 8.828 2.121 -7.433 1.00 0.48 C ATOM 0 H ILE A 23 12.270 3.278 -6.012 1.00 0.40 H new ATOM 0 HA ILE A 23 10.798 5.593 -6.405 1.00 0.38 H new ATOM 0 HB ILE A 23 10.081 2.949 -5.064 1.00 0.39 H new ATOM 0 HG12 ILE A 23 9.669 4.026 -7.885 1.00 0.45 H new ATOM 0 HG13 ILE A 23 10.844 2.813 -7.418 1.00 0.45 H new ATOM 0 HG21 ILE A 23 7.731 3.508 -5.503 1.00 0.40 H new ATOM 0 HG22 ILE A 23 8.483 4.651 -4.365 1.00 0.40 H new ATOM 0 HG23 ILE A 23 8.222 5.126 -6.060 1.00 0.40 H new ATOM 0 HD11 ILE A 23 8.892 1.784 -8.468 1.00 0.48 H new ATOM 0 HD12 ILE A 23 9.022 1.281 -6.766 1.00 0.48 H new ATOM 0 HD13 ILE A 23 7.830 2.514 -7.240 1.00 0.48 H new ATOM 385 N LEU A 24 11.323 4.939 -3.216 1.00 0.30 N ATOM 386 CA LEU A 24 11.182 5.498 -1.874 1.00 0.29 C ATOM 387 C LEU A 24 12.172 6.633 -1.644 1.00 0.32 C ATOM 388 O LEU A 24 12.102 7.335 -0.633 1.00 0.33 O ATOM 389 CB LEU A 24 11.396 4.430 -0.800 1.00 0.31 C ATOM 390 CG LEU A 24 10.536 3.171 -0.917 1.00 0.38 C ATOM 391 CD1 LEU A 24 10.867 2.208 0.200 1.00 1.03 C ATOM 392 CD2 LEU A 24 9.059 3.505 -0.883 1.00 1.01 C ATOM 0 H LEU A 24 11.837 4.059 -3.258 1.00 0.30 H new ATOM 0 HA LEU A 24 10.165 5.883 -1.799 1.00 0.29 H new ATOM 0 HB2 LEU A 24 12.444 4.131 -0.818 1.00 0.31 H new ATOM 0 HB3 LEU A 24 11.210 4.882 0.174 1.00 0.31 H new ATOM 0 HG LEU A 24 10.758 2.705 -1.877 1.00 0.38 H new ATOM 0 HD11 LEU A 24 10.248 1.315 0.106 1.00 1.03 H new ATOM 0 HD12 LEU A 24 11.919 1.928 0.140 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.673 2.685 1.161 1.00 1.03 H new ATOM 0 HD21 LEU A 24 8.476 2.588 -0.968 1.00 1.01 H new ATOM 0 HD22 LEU A 24 8.820 4.001 0.058 1.00 1.01 H new ATOM 0 HD23 LEU A 24 8.817 4.167 -1.714 1.00 1.01 H new ATOM 404 N SER A 25 13.098 6.809 -2.573 1.00 0.36 N ATOM 405 CA SER A 25 14.119 7.837 -2.435 1.00 0.41 C ATOM 406 C SER A 25 13.683 9.127 -3.118 1.00 0.42 C ATOM 407 O SER A 25 14.390 10.135 -3.083 1.00 0.49 O ATOM 408 CB SER A 25 15.445 7.340 -3.010 1.00 0.50 C ATOM 409 OG SER A 25 15.840 6.131 -2.380 1.00 1.28 O ATOM 0 H SER A 25 13.164 6.256 -3.428 1.00 0.36 H new ATOM 0 HA SER A 25 14.257 8.050 -1.375 1.00 0.41 H new ATOM 0 HB2 SER A 25 15.345 7.181 -4.084 1.00 0.50 H new ATOM 0 HB3 SER A 25 16.215 8.098 -2.870 1.00 0.50 H new ATOM 0 HG SER A 25 15.994 5.443 -3.060 1.00 1.28 H new ATOM 415 N THR A 26 12.510 9.093 -3.731 1.00 0.41 N ATOM 416 CA THR A 26 11.963 10.271 -4.379 1.00 0.46 C ATOM 417 C THR A 26 11.313 11.185 -3.348 1.00 0.45 C ATOM 418 O THR A 26 11.205 10.830 -2.171 1.00 0.45 O ATOM 419 CB THR A 26 10.917 9.892 -5.445 1.00 0.49 C ATOM 420 OG1 THR A 26 9.822 9.197 -4.833 1.00 0.44 O ATOM 421 CG2 THR A 26 11.536 9.022 -6.527 1.00 0.56 C ATOM 0 H THR A 26 11.920 8.263 -3.792 1.00 0.41 H new ATOM 0 HA THR A 26 12.788 10.789 -4.867 1.00 0.46 H new ATOM 0 HB THR A 26 10.552 10.810 -5.906 1.00 0.49 H new ATOM 0 HG1 THR A 26 10.093 8.279 -4.624 1.00 0.44 H new ATOM 0 HG21 THR A 26 10.778 8.768 -7.268 1.00 0.56 H new ATOM 0 HG22 THR A 26 12.348 9.565 -7.011 1.00 0.56 H new ATOM 0 HG23 THR A 26 11.927 8.108 -6.080 1.00 0.56 H new ATOM 429 N ASN A 27 10.866 12.348 -3.795 1.00 0.49 N ATOM 430 CA ASN A 27 10.178 13.295 -2.923 1.00 0.52 C ATOM 431 C ASN A 27 8.831 12.725 -2.470 1.00 0.52 C ATOM 432 O ASN A 27 8.233 13.192 -1.498 1.00 0.67 O ATOM 433 CB ASN A 27 9.989 14.632 -3.653 1.00 0.61 C ATOM 434 CG ASN A 27 9.255 15.667 -2.821 1.00 0.87 C ATOM 435 OD1 ASN A 27 9.854 16.358 -1.999 1.00 1.46 O ATOM 436 ND2 ASN A 27 7.958 15.811 -3.055 1.00 1.53 N ATOM 0 H ASN A 27 10.967 12.662 -4.760 1.00 0.49 H new ATOM 0 HA ASN A 27 10.786 13.467 -2.035 1.00 0.52 H new ATOM 0 HB2 ASN A 27 10.965 15.027 -3.934 1.00 0.61 H new ATOM 0 HB3 ASN A 27 9.437 14.460 -4.577 1.00 0.61 H new ATOM 0 HD21 ASN A 27 7.423 16.514 -2.545 1.00 1.53 H new ATOM 0 HD22 ASN A 27 7.495 15.219 -3.745 1.00 1.53 H new ATOM 443 N LEU A 28 8.379 11.689 -3.166 1.00 0.48 N ATOM 444 CA LEU A 28 7.107 11.036 -2.870 1.00 0.47 C ATOM 445 C LEU A 28 7.161 10.290 -1.533 1.00 0.45 C ATOM 446 O LEU A 28 6.132 10.086 -0.888 1.00 0.52 O ATOM 447 CB LEU A 28 6.754 10.062 -4.003 1.00 0.47 C ATOM 448 CG LEU A 28 5.399 9.353 -3.887 1.00 0.49 C ATOM 449 CD1 LEU A 28 4.252 10.333 -4.074 1.00 0.51 C ATOM 450 CD2 LEU A 28 5.303 8.229 -4.905 1.00 0.51 C ATOM 0 H LEU A 28 8.883 11.277 -3.951 1.00 0.48 H new ATOM 0 HA LEU A 28 6.337 11.803 -2.793 1.00 0.47 H new ATOM 0 HB2 LEU A 28 6.775 10.610 -4.945 1.00 0.47 H new ATOM 0 HB3 LEU A 28 7.534 9.303 -4.058 1.00 0.47 H new ATOM 0 HG LEU A 28 5.323 8.930 -2.885 1.00 0.49 H new ATOM 0 HD11 LEU A 28 3.303 9.804 -3.987 1.00 0.51 H new ATOM 0 HD12 LEU A 28 4.307 11.108 -3.309 1.00 0.51 H new ATOM 0 HD13 LEU A 28 4.322 10.792 -5.060 1.00 0.51 H new ATOM 0 HD21 LEU A 28 4.336 7.735 -4.811 1.00 0.51 H new ATOM 0 HD22 LEU A 28 5.405 8.639 -5.910 1.00 0.51 H new ATOM 0 HD23 LEU A 28 6.099 7.506 -4.725 1.00 0.51 H new ATOM 462 N PHE A 29 8.360 9.914 -1.095 1.00 0.42 N ATOM 463 CA PHE A 29 8.506 9.108 0.112 1.00 0.40 C ATOM 464 C PHE A 29 9.560 9.699 1.021 1.00 0.42 C ATOM 465 O PHE A 29 9.375 9.756 2.235 1.00 0.48 O ATOM 466 CB PHE A 29 8.911 7.671 -0.218 1.00 0.36 C ATOM 467 CG PHE A 29 7.843 6.846 -0.866 1.00 0.36 C ATOM 468 CD1 PHE A 29 6.871 6.227 -0.102 1.00 0.41 C ATOM 469 CD2 PHE A 29 7.794 6.717 -2.243 1.00 0.36 C ATOM 470 CE1 PHE A 29 5.871 5.489 -0.697 1.00 0.44 C ATOM 471 CE2 PHE A 29 6.792 5.983 -2.845 1.00 0.39 C ATOM 472 CZ PHE A 29 5.902 5.267 -2.061 1.00 0.42 C ATOM 0 H PHE A 29 9.239 10.153 -1.555 1.00 0.42 H new ATOM 0 HA PHE A 29 7.536 9.104 0.610 1.00 0.40 H new ATOM 0 HB2 PHE A 29 9.779 7.696 -0.876 1.00 0.36 H new ATOM 0 HB3 PHE A 29 9.223 7.177 0.702 1.00 0.36 H new ATOM 0 HD1 PHE A 29 6.896 6.323 0.973 1.00 0.41 H new ATOM 0 HD2 PHE A 29 8.547 7.195 -2.852 1.00 0.36 H new ATOM 0 HE1 PHE A 29 5.066 5.086 -0.100 1.00 0.44 H new ATOM 0 HE2 PHE A 29 6.702 5.967 -3.921 1.00 0.39 H new ATOM 0 HZ PHE A 29 5.239 4.543 -2.511 1.00 0.42 H new ATOM 482 N HIS A 30 10.659 10.138 0.406 1.00 0.43 N ATOM 483 CA HIS A 30 11.832 10.643 1.113 1.00 0.52 C ATOM 484 C HIS A 30 12.160 9.778 2.333 1.00 0.45 C ATOM 485 O HIS A 30 12.123 10.233 3.475 1.00 0.48 O ATOM 486 CB HIS A 30 11.699 12.140 1.462 1.00 0.70 C ATOM 487 CG HIS A 30 10.434 12.553 2.162 1.00 1.23 C ATOM 488 ND1 HIS A 30 10.266 12.495 3.528 1.00 1.78 N ATOM 489 CD2 HIS A 30 9.280 13.064 1.669 1.00 2.07 C ATOM 490 CE1 HIS A 30 9.067 12.952 3.845 1.00 2.74 C ATOM 491 NE2 HIS A 30 8.447 13.302 2.733 1.00 2.97 N ATOM 0 H HIS A 30 10.759 10.152 -0.609 1.00 0.43 H new ATOM 0 HA HIS A 30 12.682 10.568 0.435 1.00 0.52 H new ATOM 0 HB2 HIS A 30 12.544 12.421 2.090 1.00 0.70 H new ATOM 0 HB3 HIS A 30 11.782 12.715 0.540 1.00 0.70 H new ATOM 0 HD1 HIS A 30 10.960 12.152 4.192 1.00 1.78 H new ATOM 0 HD2 HIS A 30 9.057 13.250 0.629 1.00 2.07 H new ATOM 0 HE1 HIS A 30 8.663 13.026 4.844 1.00 2.74 H new ATOM 500 N CYS A 31 12.471 8.515 2.035 1.00 0.44 N ATOM 501 CA CYS A 31 12.751 7.470 3.022 1.00 0.45 C ATOM 502 C CYS A 31 11.846 7.518 4.252 1.00 0.40 C ATOM 503 O CYS A 31 12.254 7.929 5.340 1.00 0.47 O ATOM 504 CB CYS A 31 14.232 7.417 3.420 1.00 0.62 C ATOM 505 SG CYS A 31 15.021 9.006 3.839 1.00 1.10 S ATOM 0 H CYS A 31 12.537 8.181 1.073 1.00 0.44 H new ATOM 0 HA CYS A 31 12.513 6.538 2.510 1.00 0.45 H new ATOM 0 HB2 CYS A 31 14.331 6.751 4.277 1.00 0.62 H new ATOM 0 HB3 CYS A 31 14.790 6.966 2.599 1.00 0.62 H new ATOM 510 N LYS A 32 10.602 7.106 4.047 1.00 0.39 N ATOM 511 CA LYS A 32 9.670 6.862 5.140 1.00 0.43 C ATOM 512 C LYS A 32 10.112 5.629 5.931 1.00 0.45 C ATOM 513 O LYS A 32 10.949 4.850 5.456 1.00 0.55 O ATOM 514 CB LYS A 32 8.255 6.639 4.584 1.00 0.50 C ATOM 515 CG LYS A 32 8.001 5.219 4.078 1.00 0.53 C ATOM 516 CD LYS A 32 8.910 4.834 2.916 1.00 0.90 C ATOM 517 CE LYS A 32 9.000 3.327 2.759 1.00 2.05 C ATOM 518 NZ LYS A 32 9.749 2.692 3.881 1.00 2.72 N ATOM 0 H LYS A 32 10.211 6.932 3.121 1.00 0.39 H new ATOM 0 HA LYS A 32 9.662 7.730 5.799 1.00 0.43 H new ATOM 0 HB2 LYS A 32 7.529 6.871 5.363 1.00 0.50 H new ATOM 0 HB3 LYS A 32 8.082 7.341 3.768 1.00 0.50 H new ATOM 0 HG2 LYS A 32 8.148 4.515 4.897 1.00 0.53 H new ATOM 0 HG3 LYS A 32 6.961 5.131 3.764 1.00 0.53 H new ATOM 0 HD2 LYS A 32 8.531 5.275 1.994 1.00 0.90 H new ATOM 0 HD3 LYS A 32 9.906 5.244 3.080 1.00 0.90 H new ATOM 0 HE2 LYS A 32 7.995 2.907 2.710 1.00 2.05 H new ATOM 0 HE3 LYS A 32 9.491 3.090 1.815 1.00 2.05 H new ATOM 0 HZ1 LYS A 32 9.509 1.681 3.930 1.00 2.72 H new ATOM 0 HZ2 LYS A 32 10.771 2.798 3.720 1.00 2.72 H new ATOM 0 HZ3 LYS A 32 9.490 3.153 4.776 1.00 2.72 H new ATOM 532 N ASP A 33 9.524 5.432 7.105 1.00 0.49 N ATOM 533 CA ASP A 33 9.851 4.282 7.949 1.00 0.54 C ATOM 534 C ASP A 33 9.574 2.985 7.202 1.00 0.48 C ATOM 535 O ASP A 33 10.482 2.198 6.934 1.00 0.51 O ATOM 536 CB ASP A 33 9.037 4.310 9.246 1.00 0.66 C ATOM 537 CG ASP A 33 9.278 5.558 10.070 1.00 1.28 C ATOM 538 OD1 ASP A 33 10.240 5.572 10.865 1.00 1.57 O ATOM 539 OD2 ASP A 33 8.509 6.530 9.927 1.00 2.06 O ATOM 0 H ASP A 33 8.817 6.053 7.497 1.00 0.49 H new ATOM 0 HA ASP A 33 10.911 4.336 8.198 1.00 0.54 H new ATOM 0 HB2 ASP A 33 7.976 4.240 9.004 1.00 0.66 H new ATOM 0 HB3 ASP A 33 9.286 3.433 9.844 1.00 0.66 H new ATOM 544 N LYS A 34 8.319 2.783 6.829 1.00 0.44 N ATOM 545 CA LYS A 34 7.932 1.592 6.088 1.00 0.41 C ATOM 546 C LYS A 34 6.715 1.890 5.220 1.00 0.38 C ATOM 547 O LYS A 34 6.064 2.917 5.395 1.00 0.43 O ATOM 548 CB LYS A 34 7.658 0.404 7.018 1.00 0.48 C ATOM 549 CG LYS A 34 6.320 0.441 7.736 1.00 0.95 C ATOM 550 CD LYS A 34 6.304 1.415 8.901 1.00 1.27 C ATOM 551 CE LYS A 34 4.978 1.355 9.649 1.00 1.96 C ATOM 552 NZ LYS A 34 4.658 -0.026 10.100 1.00 2.60 N ATOM 0 H LYS A 34 7.553 3.427 7.027 1.00 0.44 H new ATOM 0 HA LYS A 34 8.767 1.311 5.446 1.00 0.41 H new ATOM 0 HB2 LYS A 34 7.714 -0.515 6.434 1.00 0.48 H new ATOM 0 HB3 LYS A 34 8.451 0.356 7.764 1.00 0.48 H new ATOM 0 HG2 LYS A 34 5.540 0.717 7.027 1.00 0.95 H new ATOM 0 HG3 LYS A 34 6.081 -0.558 8.100 1.00 0.95 H new ATOM 0 HD2 LYS A 34 7.121 1.183 9.584 1.00 1.27 H new ATOM 0 HD3 LYS A 34 6.473 2.428 8.535 1.00 1.27 H new ATOM 0 HE2 LYS A 34 5.018 2.019 10.513 1.00 1.96 H new ATOM 0 HE3 LYS A 34 4.180 1.720 9.003 1.00 1.96 H new ATOM 0 HZ1 LYS A 34 4.199 0.011 11.032 1.00 2.60 H new ATOM 0 HZ2 LYS A 34 4.016 -0.475 9.416 1.00 2.60 H new ATOM 0 HZ3 LYS A 34 5.535 -0.581 10.168 1.00 2.60 H new ATOM 566 N ASN A 35 6.427 1.001 4.280 1.00 0.37 N ATOM 567 CA ASN A 35 5.348 1.218 3.322 1.00 0.36 C ATOM 568 C ASN A 35 4.990 -0.084 2.623 1.00 0.34 C ATOM 569 O ASN A 35 5.805 -0.651 1.892 1.00 0.38 O ATOM 570 CB ASN A 35 5.757 2.258 2.274 1.00 0.36 C ATOM 571 CG ASN A 35 4.602 2.687 1.392 1.00 0.38 C ATOM 572 OD1 ASN A 35 3.855 3.609 1.725 1.00 0.75 O ATOM 573 ND2 ASN A 35 4.455 2.028 0.260 1.00 0.35 N ATOM 0 H ASN A 35 6.926 0.120 4.159 1.00 0.37 H new ATOM 0 HA ASN A 35 4.480 1.585 3.870 1.00 0.36 H new ATOM 0 HB2 ASN A 35 6.168 3.133 2.778 1.00 0.36 H new ATOM 0 HB3 ASN A 35 6.551 1.847 1.651 1.00 0.36 H new ATOM 0 HD21 ASN A 35 3.700 2.275 -0.380 1.00 0.35 H new ATOM 0 HD22 ASN A 35 5.096 1.271 0.024 1.00 0.35 H new ATOM 580 N THR A 36 3.777 -0.557 2.859 1.00 0.32 N ATOM 581 CA THR A 36 3.297 -1.779 2.243 1.00 0.30 C ATOM 582 C THR A 36 2.715 -1.495 0.858 1.00 0.26 C ATOM 583 O THR A 36 1.689 -0.819 0.729 1.00 0.28 O ATOM 584 CB THR A 36 2.217 -2.441 3.121 1.00 0.36 C ATOM 585 OG1 THR A 36 2.639 -2.448 4.492 1.00 0.45 O ATOM 586 CG2 THR A 36 1.942 -3.866 2.664 1.00 0.37 C ATOM 0 H THR A 36 3.103 -0.107 3.479 1.00 0.32 H new ATOM 0 HA THR A 36 4.145 -2.456 2.143 1.00 0.30 H new ATOM 0 HB THR A 36 1.298 -1.863 3.024 1.00 0.36 H new ATOM 0 HG1 THR A 36 3.512 -2.888 4.563 1.00 0.45 H new ATOM 0 HG21 THR A 36 1.176 -4.311 3.300 1.00 0.37 H new ATOM 0 HG22 THR A 36 1.595 -3.856 1.631 1.00 0.37 H new ATOM 0 HG23 THR A 36 2.857 -4.453 2.734 1.00 0.37 H new ATOM 594 N PHE A 37 3.386 -1.988 -0.172 1.00 0.21 N ATOM 595 CA PHE A 37 2.884 -1.889 -1.535 1.00 0.18 C ATOM 596 C PHE A 37 1.990 -3.082 -1.831 1.00 0.18 C ATOM 597 O PHE A 37 2.215 -4.178 -1.321 1.00 0.21 O ATOM 598 CB PHE A 37 4.028 -1.845 -2.556 1.00 0.17 C ATOM 599 CG PHE A 37 4.919 -0.640 -2.442 1.00 0.17 C ATOM 600 CD1 PHE A 37 5.903 -0.580 -1.468 1.00 0.19 C ATOM 601 CD2 PHE A 37 4.785 0.426 -3.320 1.00 0.19 C ATOM 602 CE1 PHE A 37 6.734 0.517 -1.372 1.00 0.21 C ATOM 603 CE2 PHE A 37 5.611 1.525 -3.225 1.00 0.20 C ATOM 604 CZ PHE A 37 6.587 1.569 -2.252 1.00 0.20 C ATOM 0 H PHE A 37 4.285 -2.463 -0.089 1.00 0.21 H new ATOM 0 HA PHE A 37 2.318 -0.961 -1.620 1.00 0.18 H new ATOM 0 HB2 PHE A 37 4.636 -2.743 -2.441 1.00 0.17 H new ATOM 0 HB3 PHE A 37 3.604 -1.874 -3.560 1.00 0.17 H new ATOM 0 HD1 PHE A 37 6.021 -1.401 -0.776 1.00 0.19 H new ATOM 0 HD2 PHE A 37 4.025 0.394 -4.086 1.00 0.19 H new ATOM 0 HE1 PHE A 37 7.498 0.552 -0.609 1.00 0.21 H new ATOM 0 HE2 PHE A 37 5.494 2.350 -3.912 1.00 0.20 H new ATOM 0 HZ PHE A 37 7.237 2.428 -2.179 1.00 0.20 H new ATOM 614 N ILE A 38 0.981 -2.864 -2.646 1.00 0.18 N ATOM 615 CA ILE A 38 0.030 -3.906 -2.982 1.00 0.17 C ATOM 616 C ILE A 38 0.134 -4.250 -4.460 1.00 0.17 C ATOM 617 O ILE A 38 -0.096 -3.394 -5.318 1.00 0.18 O ATOM 618 CB ILE A 38 -1.411 -3.450 -2.673 1.00 0.18 C ATOM 619 CG1 ILE A 38 -1.502 -2.918 -1.238 1.00 0.20 C ATOM 620 CG2 ILE A 38 -2.395 -4.594 -2.888 1.00 0.17 C ATOM 621 CD1 ILE A 38 -2.771 -2.145 -0.956 1.00 0.22 C ATOM 0 H ILE A 38 0.796 -1.966 -3.093 1.00 0.18 H new ATOM 0 HA ILE A 38 0.264 -4.784 -2.380 1.00 0.17 H new ATOM 0 HB ILE A 38 -1.675 -2.644 -3.358 1.00 0.18 H new ATOM 0 HG12 ILE A 38 -1.436 -3.756 -0.544 1.00 0.20 H new ATOM 0 HG13 ILE A 38 -0.644 -2.274 -1.043 1.00 0.20 H new ATOM 0 HG21 ILE A 38 -3.405 -4.252 -2.665 1.00 0.17 H new ATOM 0 HG22 ILE A 38 -2.345 -4.927 -3.925 1.00 0.17 H new ATOM 0 HG23 ILE A 38 -2.139 -5.423 -2.228 1.00 0.17 H new ATOM 0 HD11 ILE A 38 -2.765 -1.800 0.078 1.00 0.22 H new ATOM 0 HD12 ILE A 38 -2.830 -1.286 -1.625 1.00 0.22 H new ATOM 0 HD13 ILE A 38 -3.634 -2.791 -1.118 1.00 0.22 H new ATOM 633 N TYR A 39 0.506 -5.486 -4.756 1.00 0.16 N ATOM 634 CA TYR A 39 0.514 -5.959 -6.126 1.00 0.17 C ATOM 635 C TYR A 39 -0.904 -6.312 -6.540 1.00 0.18 C ATOM 636 O TYR A 39 -1.396 -7.410 -6.272 1.00 0.18 O ATOM 637 CB TYR A 39 1.442 -7.165 -6.301 1.00 0.20 C ATOM 638 CG TYR A 39 1.386 -7.780 -7.685 1.00 0.23 C ATOM 639 CD1 TYR A 39 2.043 -7.185 -8.755 1.00 0.26 C ATOM 640 CD2 TYR A 39 0.688 -8.955 -7.917 1.00 0.29 C ATOM 641 CE1 TYR A 39 2.007 -7.746 -10.017 1.00 0.31 C ATOM 642 CE2 TYR A 39 0.644 -9.522 -9.178 1.00 0.34 C ATOM 643 CZ TYR A 39 1.262 -8.903 -10.226 1.00 0.35 C ATOM 644 OH TYR A 39 1.279 -9.479 -11.479 1.00 0.40 O ATOM 0 H TYR A 39 0.805 -6.175 -4.066 1.00 0.16 H new ATOM 0 HA TYR A 39 0.896 -5.164 -6.766 1.00 0.17 H new ATOM 0 HB2 TYR A 39 2.466 -6.858 -6.091 1.00 0.20 H new ATOM 0 HB3 TYR A 39 1.179 -7.924 -5.565 1.00 0.20 H new ATOM 0 HD1 TYR A 39 2.591 -6.268 -8.597 1.00 0.26 H new ATOM 0 HD2 TYR A 39 0.170 -9.436 -7.100 1.00 0.29 H new ATOM 0 HE1 TYR A 39 2.551 -7.292 -10.832 1.00 0.31 H new ATOM 0 HE2 TYR A 39 0.121 -10.454 -9.333 1.00 0.34 H new ATOM 0 HH TYR A 39 0.715 -10.281 -11.478 1.00 0.40 H new ATOM 654 N SER A 40 -1.555 -5.351 -7.156 1.00 0.23 N ATOM 655 CA SER A 40 -2.928 -5.484 -7.581 1.00 0.26 C ATOM 656 C SER A 40 -3.310 -4.231 -8.346 1.00 0.29 C ATOM 657 O SER A 40 -2.641 -3.206 -8.230 1.00 0.50 O ATOM 658 CB SER A 40 -3.849 -5.666 -6.362 1.00 0.25 C ATOM 659 OG SER A 40 -5.208 -5.779 -6.748 1.00 0.93 O ATOM 0 H SER A 40 -1.140 -4.446 -7.378 1.00 0.23 H new ATOM 0 HA SER A 40 -3.038 -6.361 -8.219 1.00 0.26 H new ATOM 0 HB2 SER A 40 -3.551 -6.558 -5.810 1.00 0.25 H new ATOM 0 HB3 SER A 40 -3.731 -4.819 -5.686 1.00 0.25 H new ATOM 0 HG SER A 40 -5.766 -5.895 -5.951 1.00 0.93 H new ATOM 665 N ARG A 41 -4.361 -4.312 -9.144 1.00 0.25 N ATOM 666 CA ARG A 41 -4.884 -3.126 -9.789 1.00 0.27 C ATOM 667 C ARG A 41 -5.561 -2.262 -8.737 1.00 0.22 C ATOM 668 O ARG A 41 -5.999 -2.769 -7.701 1.00 0.23 O ATOM 669 CB ARG A 41 -5.887 -3.487 -10.886 1.00 0.33 C ATOM 670 CG ARG A 41 -5.327 -4.334 -12.003 1.00 0.54 C ATOM 671 CD ARG A 41 -4.953 -3.474 -13.190 1.00 1.08 C ATOM 672 NE ARG A 41 -3.556 -3.046 -13.163 1.00 1.30 N ATOM 673 CZ ARG A 41 -3.137 -1.862 -13.606 1.00 2.21 C ATOM 674 NH1 ARG A 41 -4.018 -0.939 -13.969 1.00 2.92 N ATOM 675 NH2 ARG A 41 -1.839 -1.594 -13.658 1.00 2.66 N ATOM 0 H ARG A 41 -4.861 -5.175 -9.357 1.00 0.25 H new ATOM 0 HA ARG A 41 -4.061 -2.585 -10.256 1.00 0.27 H new ATOM 0 HB2 ARG A 41 -6.725 -4.017 -10.433 1.00 0.33 H new ATOM 0 HB3 ARG A 41 -6.285 -2.566 -11.312 1.00 0.33 H new ATOM 0 HG2 ARG A 41 -4.450 -4.877 -11.650 1.00 0.54 H new ATOM 0 HG3 ARG A 41 -6.063 -5.079 -12.305 1.00 0.54 H new ATOM 0 HD2 ARG A 41 -5.140 -4.030 -14.109 1.00 1.08 H new ATOM 0 HD3 ARG A 41 -5.597 -2.595 -13.213 1.00 1.08 H new ATOM 0 HE ARG A 41 -2.863 -3.691 -12.783 1.00 1.30 H new ATOM 0 HH11 ARG A 41 -5.017 -1.136 -13.909 1.00 2.92 H new ATOM 0 HH12 ARG A 41 -3.696 -0.032 -14.308 1.00 2.92 H new ATOM 0 HH21 ARG A 41 -1.161 -2.295 -13.359 1.00 2.66 H new ATOM 0 HH22 ARG A 41 -1.519 -0.687 -13.997 1.00 2.66 H new ATOM 689 N PRO A 42 -5.660 -0.956 -8.977 1.00 0.22 N ATOM 690 CA PRO A 42 -6.317 -0.039 -8.048 1.00 0.21 C ATOM 691 C PRO A 42 -7.810 -0.329 -7.917 1.00 0.20 C ATOM 692 O PRO A 42 -8.402 -0.097 -6.868 1.00 0.23 O ATOM 693 CB PRO A 42 -6.087 1.341 -8.674 1.00 0.24 C ATOM 694 CG PRO A 42 -5.801 1.074 -10.111 1.00 0.25 C ATOM 695 CD PRO A 42 -5.139 -0.271 -10.168 1.00 0.30 C ATOM 0 HA PRO A 42 -5.918 -0.126 -7.037 1.00 0.21 H new ATOM 0 HB2 PRO A 42 -6.965 1.977 -8.559 1.00 0.24 H new ATOM 0 HB3 PRO A 42 -5.254 1.857 -8.196 1.00 0.24 H new ATOM 0 HG2 PRO A 42 -6.720 1.080 -10.697 1.00 0.25 H new ATOM 0 HG3 PRO A 42 -5.152 1.844 -10.528 1.00 0.25 H new ATOM 0 HD2 PRO A 42 -5.393 -0.806 -11.083 1.00 0.30 H new ATOM 0 HD3 PRO A 42 -4.053 -0.186 -10.140 1.00 0.30 H new ATOM 703 N GLU A 43 -8.402 -0.887 -8.966 1.00 0.21 N ATOM 704 CA GLU A 43 -9.837 -1.121 -8.990 1.00 0.25 C ATOM 705 C GLU A 43 -10.262 -2.215 -8.000 1.00 0.23 C ATOM 706 O GLU A 43 -11.133 -1.980 -7.165 1.00 0.24 O ATOM 707 CB GLU A 43 -10.286 -1.461 -10.407 1.00 0.36 C ATOM 708 CG GLU A 43 -10.260 -0.270 -11.350 1.00 0.48 C ATOM 709 CD GLU A 43 -11.043 0.918 -10.819 1.00 1.60 C ATOM 710 OE1 GLU A 43 -12.291 0.909 -10.914 1.00 1.99 O ATOM 711 OE2 GLU A 43 -10.416 1.873 -10.314 1.00 2.36 O ATOM 0 H GLU A 43 -7.910 -1.185 -9.809 1.00 0.21 H new ATOM 0 HA GLU A 43 -10.330 -0.202 -8.672 1.00 0.25 H new ATOM 0 HB2 GLU A 43 -9.642 -2.245 -10.806 1.00 0.36 H new ATOM 0 HB3 GLU A 43 -11.297 -1.866 -10.372 1.00 0.36 H new ATOM 0 HG2 GLU A 43 -9.226 0.029 -11.521 1.00 0.48 H new ATOM 0 HG3 GLU A 43 -10.670 -0.567 -12.315 1.00 0.48 H new ATOM 718 N PRO A 44 -9.660 -3.425 -8.065 1.00 0.24 N ATOM 719 CA PRO A 44 -9.967 -4.510 -7.123 1.00 0.26 C ATOM 720 C PRO A 44 -9.603 -4.158 -5.679 1.00 0.24 C ATOM 721 O PRO A 44 -10.081 -4.793 -4.740 1.00 0.27 O ATOM 722 CB PRO A 44 -9.116 -5.685 -7.624 1.00 0.30 C ATOM 723 CG PRO A 44 -8.051 -5.065 -8.453 1.00 0.36 C ATOM 724 CD PRO A 44 -8.671 -3.845 -9.066 1.00 0.27 C ATOM 0 HA PRO A 44 -11.035 -4.726 -7.098 1.00 0.26 H new ATOM 0 HB2 PRO A 44 -8.691 -6.247 -6.792 1.00 0.30 H new ATOM 0 HB3 PRO A 44 -9.714 -6.384 -8.209 1.00 0.30 H new ATOM 0 HG2 PRO A 44 -7.186 -4.801 -7.845 1.00 0.36 H new ATOM 0 HG3 PRO A 44 -7.702 -5.755 -9.221 1.00 0.36 H new ATOM 0 HD2 PRO A 44 -7.930 -3.067 -9.249 1.00 0.27 H new ATOM 0 HD3 PRO A 44 -9.140 -4.071 -10.024 1.00 0.27 H new ATOM 732 N VAL A 45 -8.767 -3.140 -5.502 1.00 0.20 N ATOM 733 CA VAL A 45 -8.417 -2.676 -4.166 1.00 0.19 C ATOM 734 C VAL A 45 -9.418 -1.620 -3.706 1.00 0.17 C ATOM 735 O VAL A 45 -9.798 -1.567 -2.537 1.00 0.18 O ATOM 736 CB VAL A 45 -6.985 -2.094 -4.117 1.00 0.19 C ATOM 737 CG1 VAL A 45 -6.663 -1.539 -2.735 1.00 0.20 C ATOM 738 CG2 VAL A 45 -5.966 -3.151 -4.513 1.00 0.23 C ATOM 0 H VAL A 45 -8.322 -2.624 -6.261 1.00 0.20 H new ATOM 0 HA VAL A 45 -8.451 -3.536 -3.497 1.00 0.19 H new ATOM 0 HB VAL A 45 -6.933 -1.272 -4.831 1.00 0.19 H new ATOM 0 HG11 VAL A 45 -5.650 -1.137 -2.731 1.00 0.20 H new ATOM 0 HG12 VAL A 45 -7.369 -0.746 -2.488 1.00 0.20 H new ATOM 0 HG13 VAL A 45 -6.739 -2.336 -1.996 1.00 0.20 H new ATOM 0 HG21 VAL A 45 -4.964 -2.724 -4.473 1.00 0.23 H new ATOM 0 HG22 VAL A 45 -6.029 -3.993 -3.824 1.00 0.23 H new ATOM 0 HG23 VAL A 45 -6.173 -3.495 -5.526 1.00 0.23 H new ATOM 748 N LYS A 46 -9.862 -0.795 -4.642 1.00 0.15 N ATOM 749 CA LYS A 46 -10.875 0.207 -4.358 1.00 0.15 C ATOM 750 C LYS A 46 -12.218 -0.470 -4.101 1.00 0.17 C ATOM 751 O LYS A 46 -13.028 0.007 -3.305 1.00 0.20 O ATOM 752 CB LYS A 46 -10.977 1.189 -5.527 1.00 0.17 C ATOM 753 CG LYS A 46 -11.876 2.379 -5.258 1.00 0.20 C ATOM 754 CD LYS A 46 -11.810 3.385 -6.390 1.00 0.27 C ATOM 755 CE LYS A 46 -12.720 4.569 -6.132 1.00 0.37 C ATOM 756 NZ LYS A 46 -14.154 4.192 -6.200 1.00 1.36 N ATOM 0 H LYS A 46 -9.535 -0.801 -5.608 1.00 0.15 H new ATOM 0 HA LYS A 46 -10.593 0.763 -3.464 1.00 0.15 H new ATOM 0 HB2 LYS A 46 -9.978 1.550 -5.773 1.00 0.17 H new ATOM 0 HB3 LYS A 46 -11.348 0.657 -6.403 1.00 0.17 H new ATOM 0 HG2 LYS A 46 -12.904 2.040 -5.130 1.00 0.20 H new ATOM 0 HG3 LYS A 46 -11.580 2.858 -4.325 1.00 0.20 H new ATOM 0 HD2 LYS A 46 -10.784 3.732 -6.511 1.00 0.27 H new ATOM 0 HD3 LYS A 46 -12.095 2.902 -7.325 1.00 0.27 H new ATOM 0 HE2 LYS A 46 -12.501 4.987 -5.150 1.00 0.37 H new ATOM 0 HE3 LYS A 46 -12.515 5.350 -6.864 1.00 0.37 H new ATOM 0 HZ1 LYS A 46 -14.712 5.007 -6.524 1.00 1.36 H new ATOM 0 HZ2 LYS A 46 -14.274 3.403 -6.867 1.00 1.36 H new ATOM 0 HZ3 LYS A 46 -14.482 3.901 -5.257 1.00 1.36 H new ATOM 770 N ALA A 47 -12.424 -1.609 -4.755 1.00 0.18 N ATOM 771 CA ALA A 47 -13.643 -2.395 -4.592 1.00 0.22 C ATOM 772 C ALA A 47 -13.785 -2.915 -3.162 1.00 0.22 C ATOM 773 O ALA A 47 -14.887 -3.242 -2.715 1.00 0.27 O ATOM 774 CB ALA A 47 -13.661 -3.551 -5.581 1.00 0.26 C ATOM 0 H ALA A 47 -11.754 -2.012 -5.410 1.00 0.18 H new ATOM 0 HA ALA A 47 -14.492 -1.742 -4.794 1.00 0.22 H new ATOM 0 HB1 ALA A 47 -14.576 -4.129 -5.448 1.00 0.26 H new ATOM 0 HB2 ALA A 47 -13.623 -3.160 -6.598 1.00 0.26 H new ATOM 0 HB3 ALA A 47 -12.798 -4.193 -5.406 1.00 0.26 H new ATOM 780 N ILE A 48 -12.670 -2.983 -2.443 1.00 0.20 N ATOM 781 CA ILE A 48 -12.693 -3.368 -1.038 1.00 0.21 C ATOM 782 C ILE A 48 -13.467 -2.325 -0.237 1.00 0.21 C ATOM 783 O ILE A 48 -14.147 -2.640 0.741 1.00 0.23 O ATOM 784 CB ILE A 48 -11.263 -3.504 -0.469 1.00 0.20 C ATOM 785 CG1 ILE A 48 -10.449 -4.464 -1.341 1.00 0.21 C ATOM 786 CG2 ILE A 48 -11.303 -3.990 0.976 1.00 0.22 C ATOM 787 CD1 ILE A 48 -8.978 -4.500 -0.999 1.00 0.21 C ATOM 0 H ILE A 48 -11.741 -2.777 -2.810 1.00 0.20 H new ATOM 0 HA ILE A 48 -13.183 -4.338 -0.958 1.00 0.21 H new ATOM 0 HB ILE A 48 -10.783 -2.525 -0.480 1.00 0.20 H new ATOM 0 HG12 ILE A 48 -10.860 -5.468 -1.241 1.00 0.21 H new ATOM 0 HG13 ILE A 48 -10.563 -4.176 -2.386 1.00 0.21 H new ATOM 0 HG21 ILE A 48 -10.286 -4.079 1.358 1.00 0.22 H new ATOM 0 HG22 ILE A 48 -11.858 -3.276 1.585 1.00 0.22 H new ATOM 0 HG23 ILE A 48 -11.793 -4.962 1.019 1.00 0.22 H new ATOM 0 HD11 ILE A 48 -8.468 -5.202 -1.659 1.00 0.21 H new ATOM 0 HD12 ILE A 48 -8.550 -3.506 -1.127 1.00 0.21 H new ATOM 0 HD13 ILE A 48 -8.853 -4.818 0.036 1.00 0.21 H new ATOM 799 N CYS A 49 -13.397 -1.087 -0.703 1.00 0.20 N ATOM 800 CA CYS A 49 -14.046 0.027 -0.041 1.00 0.21 C ATOM 801 C CYS A 49 -15.332 0.425 -0.761 1.00 0.25 C ATOM 802 O CYS A 49 -15.900 1.488 -0.504 1.00 0.25 O ATOM 803 CB CYS A 49 -13.074 1.199 0.022 1.00 0.19 C ATOM 804 SG CYS A 49 -11.623 0.849 1.056 1.00 0.18 S ATOM 0 H CYS A 49 -12.889 -0.830 -1.549 1.00 0.20 H new ATOM 0 HA CYS A 49 -14.323 -0.271 0.970 1.00 0.21 H new ATOM 0 HB2 CYS A 49 -12.745 1.448 -0.987 1.00 0.19 H new ATOM 0 HB3 CYS A 49 -13.592 2.075 0.413 1.00 0.19 H new ATOM 809 N LYS A 50 -15.791 -0.447 -1.649 1.00 0.32 N ATOM 810 CA LYS A 50 -17.026 -0.217 -2.388 1.00 0.40 C ATOM 811 C LYS A 50 -18.205 -0.098 -1.430 1.00 0.39 C ATOM 812 O LYS A 50 -18.502 -1.025 -0.672 1.00 0.47 O ATOM 813 CB LYS A 50 -17.266 -1.351 -3.393 1.00 0.54 C ATOM 814 CG LYS A 50 -18.531 -1.190 -4.222 1.00 0.68 C ATOM 815 CD LYS A 50 -18.651 -2.274 -5.287 1.00 0.92 C ATOM 816 CE LYS A 50 -18.799 -3.660 -4.676 1.00 1.58 C ATOM 817 NZ LYS A 50 -20.085 -3.820 -3.941 1.00 2.33 N ATOM 0 H LYS A 50 -15.324 -1.325 -1.876 1.00 0.32 H new ATOM 0 HA LYS A 50 -16.931 0.719 -2.938 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -16.410 -1.414 -4.065 1.00 0.54 H new ATOM 0 HB3 LYS A 50 -17.317 -2.296 -2.852 1.00 0.54 H new ATOM 0 HG2 LYS A 50 -19.402 -1.226 -3.567 1.00 0.68 H new ATOM 0 HG3 LYS A 50 -18.531 -0.210 -4.699 1.00 0.68 H new ATOM 0 HD2 LYS A 50 -19.511 -2.064 -5.922 1.00 0.92 H new ATOM 0 HD3 LYS A 50 -17.769 -2.252 -5.927 1.00 0.92 H new ATOM 0 HE2 LYS A 50 -18.738 -4.410 -5.464 1.00 1.58 H new ATOM 0 HE3 LYS A 50 -17.968 -3.845 -3.995 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 -20.211 -4.817 -3.674 1.00 2.33 H new ATOM 0 HZ2 LYS A 50 -20.070 -3.231 -3.084 1.00 2.33 H new ATOM 0 HZ3 LYS A 50 -20.873 -3.523 -4.551 1.00 2.33 H new ATOM 831 N GLY A 51 -18.850 1.058 -1.450 1.00 0.36 N ATOM 832 CA GLY A 51 -20.020 1.272 -0.627 1.00 0.38 C ATOM 833 C GLY A 51 -19.701 1.944 0.695 1.00 0.37 C ATOM 834 O GLY A 51 -20.605 2.252 1.470 1.00 0.44 O ATOM 0 H GLY A 51 -18.581 1.856 -2.026 1.00 0.36 H new ATOM 0 HA2 GLY A 51 -20.736 1.884 -1.176 1.00 0.38 H new ATOM 0 HA3 GLY A 51 -20.502 0.313 -0.434 1.00 0.38 H new ATOM 838 N ILE A 52 -18.421 2.184 0.959 1.00 0.31 N ATOM 839 CA ILE A 52 -18.013 2.781 2.225 1.00 0.29 C ATOM 840 C ILE A 52 -17.663 4.254 2.031 1.00 0.29 C ATOM 841 O ILE A 52 -16.539 4.589 1.664 1.00 0.27 O ATOM 842 CB ILE A 52 -16.795 2.058 2.842 1.00 0.26 C ATOM 843 CG1 ILE A 52 -16.940 0.535 2.724 1.00 0.28 C ATOM 844 CG2 ILE A 52 -16.627 2.465 4.301 1.00 0.28 C ATOM 845 CD1 ILE A 52 -18.163 -0.026 3.416 1.00 0.33 C ATOM 0 H ILE A 52 -17.654 1.976 0.319 1.00 0.31 H new ATOM 0 HA ILE A 52 -18.857 2.681 2.907 1.00 0.29 H new ATOM 0 HB ILE A 52 -15.905 2.355 2.288 1.00 0.26 H new ATOM 0 HG12 ILE A 52 -16.978 0.265 1.669 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -16.051 0.063 3.142 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -15.766 1.949 4.726 1.00 0.28 H new ATOM 0 HG22 ILE A 52 -16.472 3.542 4.363 1.00 0.28 H new ATOM 0 HG23 ILE A 52 -17.523 2.195 4.860 1.00 0.28 H new ATOM 0 HD11 ILE A 52 -18.191 -1.108 3.285 1.00 0.33 H new ATOM 0 HD12 ILE A 52 -18.120 0.210 4.479 1.00 0.33 H new ATOM 0 HD13 ILE A 52 -19.061 0.415 2.983 1.00 0.33 H new ATOM 857 N ILE A 53 -18.635 5.125 2.258 1.00 0.33 N ATOM 858 CA ILE A 53 -18.438 6.555 2.093 1.00 0.35 C ATOM 859 C ILE A 53 -17.835 7.165 3.357 1.00 0.34 C ATOM 860 O ILE A 53 -16.866 7.919 3.293 1.00 0.35 O ATOM 861 CB ILE A 53 -19.767 7.271 1.744 1.00 0.40 C ATOM 862 CG1 ILE A 53 -20.210 6.949 0.310 1.00 0.49 C ATOM 863 CG2 ILE A 53 -19.635 8.777 1.915 1.00 0.42 C ATOM 864 CD1 ILE A 53 -20.496 5.488 0.037 1.00 0.55 C ATOM 0 H ILE A 53 -19.574 4.863 2.559 1.00 0.33 H new ATOM 0 HA ILE A 53 -17.745 6.697 1.264 1.00 0.35 H new ATOM 0 HB ILE A 53 -20.526 6.903 2.434 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -21.107 7.526 0.085 1.00 0.49 H new ATOM 0 HG13 ILE A 53 -19.434 7.285 -0.377 1.00 0.49 H new ATOM 0 HG21 ILE A 53 -20.581 9.256 1.664 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -19.376 9.004 2.949 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -18.853 9.151 1.255 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -20.801 5.365 -1.002 1.00 0.55 H new ATOM 0 HD12 ILE A 53 -19.597 4.900 0.223 1.00 0.55 H new ATOM 0 HD13 ILE A 53 -21.296 5.145 0.693 1.00 0.55 H new ATOM 876 N ALA A 54 -18.398 6.820 4.501 1.00 0.37 N ATOM 877 CA ALA A 54 -17.901 7.328 5.769 1.00 0.38 C ATOM 878 C ALA A 54 -16.717 6.492 6.240 1.00 0.33 C ATOM 879 O ALA A 54 -16.759 5.264 6.168 1.00 0.32 O ATOM 880 CB ALA A 54 -19.014 7.334 6.806 1.00 0.46 C ATOM 0 H ALA A 54 -19.198 6.192 4.579 1.00 0.37 H new ATOM 0 HA ALA A 54 -17.560 8.354 5.633 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -18.629 7.717 7.751 1.00 0.46 H new ATOM 0 HB2 ALA A 54 -19.829 7.971 6.462 1.00 0.46 H new ATOM 0 HB3 ALA A 54 -19.383 6.319 6.949 1.00 0.46 H new ATOM 886 N SER A 55 -15.679 7.169 6.730 1.00 0.34 N ATOM 887 CA SER A 55 -14.413 6.531 7.092 1.00 0.34 C ATOM 888 C SER A 55 -14.604 5.302 7.981 1.00 0.32 C ATOM 889 O SER A 55 -15.035 5.405 9.134 1.00 0.36 O ATOM 890 CB SER A 55 -13.501 7.550 7.779 1.00 0.41 C ATOM 891 OG SER A 55 -14.204 8.287 8.770 1.00 1.42 O ATOM 0 H SER A 55 -15.692 8.177 6.887 1.00 0.34 H new ATOM 0 HA SER A 55 -13.949 6.180 6.170 1.00 0.34 H new ATOM 0 HB2 SER A 55 -12.657 7.035 8.237 1.00 0.41 H new ATOM 0 HB3 SER A 55 -13.092 8.234 7.036 1.00 0.41 H new ATOM 0 HG SER A 55 -14.762 7.677 9.297 1.00 1.42 H new ATOM 897 N LYS A 56 -14.287 4.139 7.429 1.00 0.30 N ATOM 898 CA LYS A 56 -14.404 2.881 8.145 1.00 0.31 C ATOM 899 C LYS A 56 -13.219 1.978 7.816 1.00 0.29 C ATOM 900 O LYS A 56 -12.877 1.794 6.649 1.00 0.27 O ATOM 901 CB LYS A 56 -15.711 2.186 7.760 1.00 0.34 C ATOM 902 CG LYS A 56 -15.972 0.898 8.521 1.00 0.40 C ATOM 903 CD LYS A 56 -17.176 0.158 7.960 1.00 0.51 C ATOM 904 CE LYS A 56 -17.514 -1.068 8.791 1.00 0.94 C ATOM 905 NZ LYS A 56 -18.053 -0.700 10.127 1.00 1.71 N ATOM 0 H LYS A 56 -13.942 4.043 6.474 1.00 0.30 H new ATOM 0 HA LYS A 56 -14.407 3.082 9.216 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -16.540 2.872 7.932 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -15.694 1.968 6.692 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -15.092 0.257 8.468 1.00 0.40 H new ATOM 0 HG3 LYS A 56 -16.139 1.123 9.574 1.00 0.40 H new ATOM 0 HD2 LYS A 56 -18.035 0.828 7.932 1.00 0.51 H new ATOM 0 HD3 LYS A 56 -16.973 -0.143 6.932 1.00 0.51 H new ATOM 0 HE2 LYS A 56 -18.245 -1.677 8.259 1.00 0.94 H new ATOM 0 HE3 LYS A 56 -16.621 -1.680 8.916 1.00 0.94 H new ATOM 0 HZ1 LYS A 56 -18.458 -1.543 10.582 1.00 1.71 H new ATOM 0 HZ2 LYS A 56 -17.286 -0.322 10.719 1.00 1.71 H new ATOM 0 HZ3 LYS A 56 -18.793 0.023 10.016 1.00 1.71 H new ATOM 919 N ASN A 57 -12.591 1.429 8.844 1.00 0.36 N ATOM 920 CA ASN A 57 -11.479 0.503 8.659 1.00 0.37 C ATOM 921 C ASN A 57 -11.993 -0.901 8.385 1.00 0.33 C ATOM 922 O ASN A 57 -12.688 -1.498 9.214 1.00 0.41 O ATOM 923 CB ASN A 57 -10.545 0.495 9.874 1.00 0.50 C ATOM 924 CG ASN A 57 -11.261 0.288 11.197 1.00 0.80 C ATOM 925 OD1 ASN A 57 -12.403 0.714 11.390 1.00 1.49 O ATOM 926 ND2 ASN A 57 -10.589 -0.373 12.116 1.00 1.13 N ATOM 0 H ASN A 57 -12.832 1.608 9.819 1.00 0.36 H new ATOM 0 HA ASN A 57 -10.907 0.846 7.797 1.00 0.37 H new ATOM 0 HB2 ASN A 57 -9.804 -0.294 9.745 1.00 0.50 H new ATOM 0 HB3 ASN A 57 -10.002 1.440 9.909 1.00 0.50 H new ATOM 0 HD21 ASN A 57 -11.011 -0.550 13.028 1.00 1.13 H new ATOM 0 HD22 ASN A 57 -9.647 -0.708 11.916 1.00 1.13 H new ATOM 933 N VAL A 58 -11.669 -1.424 7.213 1.00 0.28 N ATOM 934 CA VAL A 58 -12.139 -2.739 6.825 1.00 0.27 C ATOM 935 C VAL A 58 -10.966 -3.670 6.506 1.00 0.25 C ATOM 936 O VAL A 58 -10.005 -3.286 5.837 1.00 0.25 O ATOM 937 CB VAL A 58 -13.110 -2.669 5.621 1.00 0.28 C ATOM 938 CG1 VAL A 58 -14.197 -1.628 5.852 1.00 0.61 C ATOM 939 CG2 VAL A 58 -12.370 -2.395 4.324 1.00 0.57 C ATOM 0 H VAL A 58 -11.085 -0.958 6.518 1.00 0.28 H new ATOM 0 HA VAL A 58 -12.687 -3.146 7.675 1.00 0.27 H new ATOM 0 HB VAL A 58 -13.587 -3.645 5.532 1.00 0.28 H new ATOM 0 HG11 VAL A 58 -14.864 -1.601 4.990 1.00 0.61 H new ATOM 0 HG12 VAL A 58 -14.767 -1.889 6.744 1.00 0.61 H new ATOM 0 HG13 VAL A 58 -13.739 -0.648 5.987 1.00 0.61 H new ATOM 0 HG21 VAL A 58 -13.083 -2.353 3.500 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -11.845 -1.443 4.399 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -11.650 -3.193 4.140 1.00 0.57 H new ATOM 949 N LEU A 59 -11.038 -4.881 7.027 1.00 0.28 N ATOM 950 CA LEU A 59 -10.024 -5.894 6.793 1.00 0.26 C ATOM 951 C LEU A 59 -10.443 -6.758 5.603 1.00 0.26 C ATOM 952 O LEU A 59 -11.606 -7.148 5.499 1.00 0.30 O ATOM 953 CB LEU A 59 -9.855 -6.720 8.082 1.00 0.30 C ATOM 954 CG LEU A 59 -8.735 -7.770 8.113 1.00 0.34 C ATOM 955 CD1 LEU A 59 -9.195 -9.083 7.513 1.00 0.53 C ATOM 956 CD2 LEU A 59 -7.493 -7.263 7.403 1.00 0.67 C ATOM 0 H LEU A 59 -11.803 -5.191 7.626 1.00 0.28 H new ATOM 0 HA LEU A 59 -9.062 -5.444 6.548 1.00 0.26 H new ATOM 0 HB2 LEU A 59 -9.688 -6.026 8.906 1.00 0.30 H new ATOM 0 HB3 LEU A 59 -10.798 -7.229 8.281 1.00 0.30 H new ATOM 0 HG LEU A 59 -8.481 -7.949 9.158 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -8.380 -9.805 7.550 1.00 0.53 H new ATOM 0 HD12 LEU A 59 -10.044 -9.465 8.080 1.00 0.53 H new ATOM 0 HD13 LEU A 59 -9.493 -8.925 6.477 1.00 0.53 H new ATOM 0 HD21 LEU A 59 -6.716 -8.026 7.440 1.00 0.67 H new ATOM 0 HD22 LEU A 59 -7.734 -7.040 6.364 1.00 0.67 H new ATOM 0 HD23 LEU A 59 -7.137 -6.358 7.895 1.00 0.67 H new ATOM 968 N THR A 60 -9.504 -7.040 4.708 1.00 0.22 N ATOM 969 CA THR A 60 -9.821 -7.732 3.464 1.00 0.22 C ATOM 970 C THR A 60 -10.150 -9.201 3.695 1.00 0.24 C ATOM 971 O THR A 60 -9.664 -9.828 4.635 1.00 0.33 O ATOM 972 CB THR A 60 -8.672 -7.621 2.438 1.00 0.21 C ATOM 973 OG1 THR A 60 -7.456 -8.137 2.991 1.00 0.25 O ATOM 974 CG2 THR A 60 -8.463 -6.177 2.014 1.00 0.24 C ATOM 0 H THR A 60 -8.519 -6.801 4.820 1.00 0.22 H new ATOM 0 HA THR A 60 -10.704 -7.237 3.061 1.00 0.22 H new ATOM 0 HB THR A 60 -8.947 -8.209 1.563 1.00 0.21 H new ATOM 0 HG1 THR A 60 -7.228 -8.981 2.549 1.00 0.25 H new ATOM 0 HG21 THR A 60 -7.649 -6.124 1.291 1.00 0.24 H new ATOM 0 HG22 THR A 60 -9.377 -5.795 1.559 1.00 0.24 H new ATOM 0 HG23 THR A 60 -8.213 -5.574 2.887 1.00 0.24 H new ATOM 982 N THR A 61 -10.977 -9.742 2.821 1.00 0.27 N ATOM 983 CA THR A 61 -11.405 -11.122 2.912 1.00 0.33 C ATOM 984 C THR A 61 -10.313 -12.076 2.431 1.00 0.33 C ATOM 985 O THR A 61 -10.271 -13.247 2.813 1.00 0.43 O ATOM 986 CB THR A 61 -12.670 -11.314 2.066 1.00 0.43 C ATOM 987 OG1 THR A 61 -12.479 -10.710 0.777 1.00 0.48 O ATOM 988 CG2 THR A 61 -13.869 -10.679 2.751 1.00 0.46 C ATOM 0 H THR A 61 -11.370 -9.236 2.028 1.00 0.27 H new ATOM 0 HA THR A 61 -11.614 -11.351 3.957 1.00 0.33 H new ATOM 0 HB THR A 61 -12.857 -12.382 1.950 1.00 0.43 H new ATOM 0 HG1 THR A 61 -13.286 -10.834 0.235 1.00 0.48 H new ATOM 0 HG21 THR A 61 -14.758 -10.824 2.137 1.00 0.46 H new ATOM 0 HG22 THR A 61 -14.020 -11.144 3.725 1.00 0.46 H new ATOM 0 HG23 THR A 61 -13.690 -9.612 2.883 1.00 0.46 H new ATOM 996 N SER A 62 -9.421 -11.554 1.614 1.00 0.28 N ATOM 997 CA SER A 62 -8.399 -12.358 0.969 1.00 0.31 C ATOM 998 C SER A 62 -7.016 -11.735 1.150 1.00 0.26 C ATOM 999 O SER A 62 -6.894 -10.541 1.442 1.00 0.24 O ATOM 1000 CB SER A 62 -8.730 -12.490 -0.517 1.00 0.41 C ATOM 1001 OG SER A 62 -9.050 -11.224 -1.069 1.00 1.09 O ATOM 0 H SER A 62 -9.383 -10.562 1.378 1.00 0.28 H new ATOM 0 HA SER A 62 -8.382 -13.345 1.431 1.00 0.31 H new ATOM 0 HB2 SER A 62 -7.881 -12.921 -1.048 1.00 0.41 H new ATOM 0 HB3 SER A 62 -9.569 -13.174 -0.649 1.00 0.41 H new ATOM 0 HG SER A 62 -8.288 -10.617 -0.959 1.00 1.09 H new ATOM 1007 N GLU A 63 -5.987 -12.559 1.017 1.00 0.26 N ATOM 1008 CA GLU A 63 -4.620 -12.096 1.101 1.00 0.23 C ATOM 1009 C GLU A 63 -4.140 -11.632 -0.263 1.00 0.24 C ATOM 1010 O GLU A 63 -4.246 -12.358 -1.253 1.00 0.35 O ATOM 1011 CB GLU A 63 -3.685 -13.195 1.621 1.00 0.25 C ATOM 1012 CG GLU A 63 -4.175 -13.903 2.879 1.00 0.34 C ATOM 1013 CD GLU A 63 -5.154 -15.032 2.610 1.00 1.20 C ATOM 1014 OE1 GLU A 63 -6.336 -14.753 2.332 1.00 1.44 O ATOM 1015 OE2 GLU A 63 -4.749 -16.207 2.707 1.00 2.06 O ATOM 0 H GLU A 63 -6.081 -13.561 0.849 1.00 0.26 H new ATOM 0 HA GLU A 63 -4.597 -11.263 1.804 1.00 0.23 H new ATOM 0 HB2 GLU A 63 -3.544 -13.936 0.834 1.00 0.25 H new ATOM 0 HB3 GLU A 63 -2.708 -12.756 1.824 1.00 0.25 H new ATOM 0 HG2 GLU A 63 -3.315 -14.302 3.417 1.00 0.34 H new ATOM 0 HG3 GLU A 63 -4.650 -13.172 3.533 1.00 0.34 H new ATOM 1022 N PHE A 64 -3.609 -10.428 -0.307 1.00 0.17 N ATOM 1023 CA PHE A 64 -3.088 -9.872 -1.539 1.00 0.17 C ATOM 1024 C PHE A 64 -1.576 -9.972 -1.552 1.00 0.16 C ATOM 1025 O PHE A 64 -0.950 -10.223 -0.518 1.00 0.15 O ATOM 1026 CB PHE A 64 -3.516 -8.417 -1.708 1.00 0.19 C ATOM 1027 CG PHE A 64 -4.975 -8.245 -2.043 1.00 0.21 C ATOM 1028 CD1 PHE A 64 -5.953 -8.434 -1.078 1.00 0.23 C ATOM 1029 CD2 PHE A 64 -5.364 -7.891 -3.325 1.00 0.26 C ATOM 1030 CE1 PHE A 64 -7.291 -8.272 -1.387 1.00 0.26 C ATOM 1031 CE2 PHE A 64 -6.700 -7.728 -3.638 1.00 0.29 C ATOM 1032 CZ PHE A 64 -7.664 -7.919 -2.668 1.00 0.28 C ATOM 0 H PHE A 64 -3.526 -9.812 0.502 1.00 0.17 H new ATOM 0 HA PHE A 64 -3.495 -10.446 -2.372 1.00 0.17 H new ATOM 0 HB2 PHE A 64 -3.298 -7.875 -0.788 1.00 0.19 H new ATOM 0 HB3 PHE A 64 -2.916 -7.961 -2.496 1.00 0.19 H new ATOM 0 HD1 PHE A 64 -5.666 -8.711 -0.074 1.00 0.23 H new ATOM 0 HD2 PHE A 64 -4.615 -7.741 -4.088 1.00 0.26 H new ATOM 0 HE1 PHE A 64 -8.043 -8.422 -0.627 1.00 0.26 H new ATOM 0 HE2 PHE A 64 -6.990 -7.451 -4.641 1.00 0.29 H new ATOM 0 HZ PHE A 64 -8.709 -7.792 -2.911 1.00 0.28 H new ATOM 1042 N TYR A 65 -0.992 -9.775 -2.718 1.00 0.17 N ATOM 1043 CA TYR A 65 0.446 -9.880 -2.866 1.00 0.16 C ATOM 1044 C TYR A 65 1.096 -8.572 -2.456 1.00 0.16 C ATOM 1045 O TYR A 65 1.123 -7.608 -3.215 1.00 0.18 O ATOM 1046 CB TYR A 65 0.798 -10.257 -4.304 1.00 0.20 C ATOM 1047 CG TYR A 65 0.087 -11.508 -4.768 1.00 0.30 C ATOM 1048 CD1 TYR A 65 0.491 -12.763 -4.331 1.00 0.38 C ATOM 1049 CD2 TYR A 65 -0.973 -11.432 -5.660 1.00 0.40 C ATOM 1050 CE1 TYR A 65 -0.146 -13.909 -4.769 1.00 0.49 C ATOM 1051 CE2 TYR A 65 -1.612 -12.571 -6.105 1.00 0.51 C ATOM 1052 CZ TYR A 65 -1.243 -13.809 -5.582 1.00 0.54 C ATOM 1053 OH TYR A 65 -1.830 -14.947 -6.104 1.00 0.66 O ATOM 0 H TYR A 65 -1.491 -9.541 -3.576 1.00 0.17 H new ATOM 0 HA TYR A 65 0.827 -10.667 -2.215 1.00 0.16 H new ATOM 0 HB2 TYR A 65 0.540 -9.430 -4.966 1.00 0.20 H new ATOM 0 HB3 TYR A 65 1.875 -10.405 -4.384 1.00 0.20 H new ATOM 0 HD1 TYR A 65 1.316 -12.845 -3.638 1.00 0.38 H new ATOM 0 HD2 TYR A 65 -1.303 -10.466 -6.012 1.00 0.40 H new ATOM 0 HE1 TYR A 65 0.221 -14.880 -4.471 1.00 0.49 H new ATOM 0 HE2 TYR A 65 -2.390 -12.504 -6.851 1.00 0.51 H new ATOM 0 HH TYR A 65 -2.598 -14.694 -6.658 1.00 0.66 H new ATOM 1063 N LEU A 66 1.605 -8.548 -1.244 1.00 0.15 N ATOM 1064 CA LEU A 66 2.100 -7.325 -0.647 1.00 0.16 C ATOM 1065 C LEU A 66 3.614 -7.255 -0.733 1.00 0.16 C ATOM 1066 O LEU A 66 4.296 -8.285 -0.763 1.00 0.20 O ATOM 1067 CB LEU A 66 1.661 -7.252 0.815 1.00 0.18 C ATOM 1068 CG LEU A 66 0.158 -7.395 1.043 1.00 0.19 C ATOM 1069 CD1 LEU A 66 -0.153 -7.401 2.530 1.00 0.22 C ATOM 1070 CD2 LEU A 66 -0.598 -6.278 0.341 1.00 0.19 C ATOM 0 H LEU A 66 1.688 -9.370 -0.646 1.00 0.15 H new ATOM 0 HA LEU A 66 1.685 -6.480 -1.196 1.00 0.16 H new ATOM 0 HB2 LEU A 66 2.174 -8.035 1.373 1.00 0.18 H new ATOM 0 HB3 LEU A 66 1.988 -6.299 1.230 1.00 0.18 H new ATOM 0 HG LEU A 66 -0.167 -8.345 0.619 1.00 0.19 H new ATOM 0 HD11 LEU A 66 -1.228 -7.504 2.676 1.00 0.22 H new ATOM 0 HD12 LEU A 66 0.359 -8.237 3.006 1.00 0.22 H new ATOM 0 HD13 LEU A 66 0.186 -6.466 2.976 1.00 0.22 H new ATOM 0 HD21 LEU A 66 -1.667 -6.397 0.515 1.00 0.19 H new ATOM 0 HD22 LEU A 66 -0.271 -5.315 0.734 1.00 0.19 H new ATOM 0 HD23 LEU A 66 -0.398 -6.320 -0.730 1.00 0.19 H new ATOM 1082 N SER A 67 4.130 -6.044 -0.799 1.00 0.17 N ATOM 1083 CA SER A 67 5.556 -5.817 -0.719 1.00 0.18 C ATOM 1084 C SER A 67 5.832 -4.756 0.338 1.00 0.22 C ATOM 1085 O SER A 67 5.531 -3.580 0.146 1.00 0.26 O ATOM 1086 CB SER A 67 6.091 -5.370 -2.082 1.00 0.22 C ATOM 1087 OG SER A 67 5.758 -6.308 -3.097 1.00 0.29 O ATOM 0 H SER A 67 3.575 -5.195 -0.909 1.00 0.17 H new ATOM 0 HA SER A 67 6.062 -6.741 -0.440 1.00 0.18 H new ATOM 0 HB2 SER A 67 5.678 -4.394 -2.336 1.00 0.22 H new ATOM 0 HB3 SER A 67 7.174 -5.254 -2.031 1.00 0.22 H new ATOM 0 HG SER A 67 6.482 -6.348 -3.756 1.00 0.29 H new ATOM 1093 N ASP A 68 6.394 -5.185 1.454 1.00 0.26 N ATOM 1094 CA ASP A 68 6.702 -4.285 2.554 1.00 0.34 C ATOM 1095 C ASP A 68 8.113 -3.766 2.416 1.00 0.29 C ATOM 1096 O ASP A 68 9.069 -4.528 2.511 1.00 0.34 O ATOM 1097 CB ASP A 68 6.567 -4.995 3.906 1.00 0.46 C ATOM 1098 CG ASP A 68 5.135 -5.190 4.348 1.00 1.12 C ATOM 1099 OD1 ASP A 68 4.548 -4.233 4.905 1.00 1.12 O ATOM 1100 OD2 ASP A 68 4.607 -6.308 4.176 1.00 2.01 O ATOM 0 H ASP A 68 6.648 -6.158 1.624 1.00 0.26 H new ATOM 0 HA ASP A 68 5.992 -3.459 2.516 1.00 0.34 H new ATOM 0 HB2 ASP A 68 7.055 -5.968 3.846 1.00 0.46 H new ATOM 0 HB3 ASP A 68 7.097 -4.418 4.664 1.00 0.46 H new ATOM 1105 N CYS A 69 8.256 -2.484 2.178 1.00 0.28 N ATOM 1106 CA CYS A 69 9.575 -1.903 2.156 1.00 0.26 C ATOM 1107 C CYS A 69 9.816 -1.132 3.436 1.00 0.30 C ATOM 1108 O CYS A 69 9.182 -0.104 3.706 1.00 0.35 O ATOM 1109 CB CYS A 69 9.742 -1.027 0.923 1.00 0.25 C ATOM 1110 SG CYS A 69 9.887 -1.985 -0.618 1.00 0.62 S ATOM 0 H CYS A 69 7.490 -1.834 2.000 1.00 0.28 H new ATOM 0 HA CYS A 69 10.324 -2.693 2.097 1.00 0.26 H new ATOM 0 HB2 CYS A 69 8.889 -0.352 0.846 1.00 0.25 H new ATOM 0 HB3 CYS A 69 10.630 -0.406 1.043 1.00 0.25 H new ATOM 1115 N ASN A 70 10.777 -1.618 4.195 1.00 0.35 N ATOM 1116 CA ASN A 70 11.040 -1.124 5.533 1.00 0.42 C ATOM 1117 C ASN A 70 12.441 -0.558 5.604 1.00 0.44 C ATOM 1118 O ASN A 70 13.294 -0.892 4.778 1.00 0.49 O ATOM 1119 CB ASN A 70 10.898 -2.261 6.552 1.00 0.51 C ATOM 1120 CG ASN A 70 9.551 -2.963 6.489 1.00 0.97 C ATOM 1121 OD1 ASN A 70 8.529 -2.355 6.180 1.00 1.93 O ATOM 1122 ND2 ASN A 70 9.547 -4.256 6.764 1.00 1.08 N ATOM 0 H ASN A 70 11.401 -2.370 3.901 1.00 0.35 H new ATOM 0 HA ASN A 70 10.319 -0.341 5.766 1.00 0.42 H new ATOM 0 HB2 ASN A 70 11.689 -2.992 6.382 1.00 0.51 H new ATOM 0 HB3 ASN A 70 11.044 -1.860 7.555 1.00 0.51 H new ATOM 0 HD21 ASN A 70 8.675 -4.783 6.723 1.00 1.08 H new ATOM 0 HD22 ASN A 70 10.416 -4.726 7.017 1.00 1.08 H new ATOM 1129 N VAL A 71 12.669 0.304 6.574 1.00 0.47 N ATOM 1130 CA VAL A 71 13.986 0.866 6.794 1.00 0.51 C ATOM 1131 C VAL A 71 14.860 -0.139 7.532 1.00 0.56 C ATOM 1132 O VAL A 71 14.433 -0.775 8.499 1.00 0.60 O ATOM 1133 CB VAL A 71 13.897 2.211 7.553 1.00 0.54 C ATOM 1134 CG1 VAL A 71 13.421 2.017 8.985 1.00 0.90 C ATOM 1135 CG2 VAL A 71 15.226 2.951 7.513 1.00 0.82 C ATOM 0 H VAL A 71 11.956 0.632 7.225 1.00 0.47 H new ATOM 0 HA VAL A 71 14.446 1.075 5.828 1.00 0.51 H new ATOM 0 HB VAL A 71 13.154 2.825 7.043 1.00 0.54 H new ATOM 0 HG11 VAL A 71 13.371 2.984 9.486 1.00 0.90 H new ATOM 0 HG12 VAL A 71 12.432 1.559 8.981 1.00 0.90 H new ATOM 0 HG13 VAL A 71 14.119 1.369 9.516 1.00 0.90 H new ATOM 0 HG21 VAL A 71 15.134 3.893 8.054 1.00 0.82 H new ATOM 0 HG22 VAL A 71 15.998 2.338 7.979 1.00 0.82 H new ATOM 0 HG23 VAL A 71 15.499 3.153 6.477 1.00 0.82 H new ATOM 1145 N THR A 72 16.064 -0.308 7.027 1.00 0.58 N ATOM 1146 CA THR A 72 16.977 -1.314 7.531 1.00 0.64 C ATOM 1147 C THR A 72 17.808 -0.776 8.690 1.00 0.75 C ATOM 1148 O THR A 72 17.343 0.052 9.478 1.00 0.93 O ATOM 1149 CB THR A 72 17.911 -1.787 6.402 1.00 0.71 C ATOM 1150 OG1 THR A 72 18.520 -0.654 5.770 1.00 0.78 O ATOM 1151 CG2 THR A 72 17.149 -2.597 5.365 1.00 0.78 C ATOM 0 H THR A 72 16.438 0.247 6.257 1.00 0.58 H new ATOM 0 HA THR A 72 16.385 -2.154 7.895 1.00 0.64 H new ATOM 0 HB THR A 72 18.680 -2.423 6.841 1.00 0.71 H new ATOM 0 HG1 THR A 72 17.865 -0.211 5.192 1.00 0.78 H new ATOM 0 HG21 THR A 72 17.833 -2.918 4.580 1.00 0.78 H new ATOM 0 HG22 THR A 72 16.706 -3.472 5.841 1.00 0.78 H new ATOM 0 HG23 THR A 72 16.361 -1.982 4.931 1.00 0.78 H new ATOM 1159 N SER A 73 19.036 -1.254 8.782 1.00 0.86 N ATOM 1160 CA SER A 73 19.957 -0.814 9.814 1.00 1.02 C ATOM 1161 C SER A 73 20.679 0.444 9.358 1.00 0.90 C ATOM 1162 O SER A 73 21.431 1.058 10.115 1.00 0.99 O ATOM 1163 CB SER A 73 20.962 -1.914 10.139 1.00 1.33 C ATOM 1164 OG SER A 73 21.830 -1.532 11.195 1.00 1.87 O ATOM 0 H SER A 73 19.421 -1.954 8.148 1.00 0.86 H new ATOM 0 HA SER A 73 19.391 -0.591 10.718 1.00 1.02 H new ATOM 0 HB2 SER A 73 20.430 -2.824 10.416 1.00 1.33 H new ATOM 0 HB3 SER A 73 21.549 -2.146 9.250 1.00 1.33 H new ATOM 0 HG SER A 73 21.907 -0.555 11.218 1.00 1.87 H new ATOM 1170 N ARG A 74 20.458 0.816 8.110 1.00 0.81 N ATOM 1171 CA ARG A 74 21.019 2.023 7.570 1.00 0.76 C ATOM 1172 C ARG A 74 19.898 2.997 7.231 1.00 0.68 C ATOM 1173 O ARG A 74 18.903 2.612 6.609 1.00 0.63 O ATOM 1174 CB ARG A 74 21.864 1.706 6.338 1.00 0.88 C ATOM 1175 CG ARG A 74 22.142 2.919 5.488 1.00 1.40 C ATOM 1176 CD ARG A 74 23.058 2.596 4.322 1.00 1.55 C ATOM 1177 NE ARG A 74 23.246 3.751 3.452 1.00 2.35 N ATOM 1178 CZ ARG A 74 24.292 3.924 2.652 1.00 2.74 C ATOM 1179 NH1 ARG A 74 25.267 3.020 2.616 1.00 2.41 N ATOM 1180 NH2 ARG A 74 24.363 5.013 1.896 1.00 3.76 N ATOM 0 H ARG A 74 19.886 0.287 7.452 1.00 0.81 H new ATOM 0 HA ARG A 74 21.670 2.487 8.312 1.00 0.76 H new ATOM 0 HB2 ARG A 74 22.810 1.267 6.656 1.00 0.88 H new ATOM 0 HB3 ARG A 74 21.351 0.956 5.735 1.00 0.88 H new ATOM 0 HG2 ARG A 74 21.202 3.321 5.110 1.00 1.40 H new ATOM 0 HG3 ARG A 74 22.597 3.696 6.102 1.00 1.40 H new ATOM 0 HD2 ARG A 74 24.025 2.263 4.699 1.00 1.55 H new ATOM 0 HD3 ARG A 74 22.639 1.771 3.747 1.00 1.55 H new ATOM 0 HE ARG A 74 22.527 4.474 3.458 1.00 2.35 H new ATOM 0 HH11 ARG A 74 25.214 2.189 3.205 1.00 2.41 H new ATOM 0 HH12 ARG A 74 26.068 3.158 2.000 1.00 2.41 H new ATOM 0 HH21 ARG A 74 23.618 5.709 1.932 1.00 3.76 H new ATOM 0 HH22 ARG A 74 25.163 5.154 1.279 1.00 3.76 H new ATOM 1194 N PRO A 75 20.038 4.266 7.641 1.00 0.74 N ATOM 1195 CA PRO A 75 19.006 5.278 7.436 1.00 0.74 C ATOM 1196 C PRO A 75 18.691 5.495 5.961 1.00 0.65 C ATOM 1197 O PRO A 75 19.592 5.685 5.137 1.00 0.70 O ATOM 1198 CB PRO A 75 19.595 6.549 8.050 1.00 0.92 C ATOM 1199 CG PRO A 75 21.060 6.297 8.158 1.00 1.05 C ATOM 1200 CD PRO A 75 21.221 4.813 8.325 1.00 0.92 C ATOM 0 HA PRO A 75 18.062 4.979 7.891 1.00 0.74 H new ATOM 0 HB2 PRO A 75 19.391 7.418 7.424 1.00 0.92 H new ATOM 0 HB3 PRO A 75 19.158 6.751 9.028 1.00 0.92 H new ATOM 0 HG2 PRO A 75 21.581 6.647 7.267 1.00 1.05 H new ATOM 0 HG3 PRO A 75 21.485 6.832 9.007 1.00 1.05 H new ATOM 0 HD2 PRO A 75 22.147 4.456 7.875 1.00 0.92 H new ATOM 0 HD3 PRO A 75 21.246 4.527 9.376 1.00 0.92 H new ATOM 1208 N CYS A 76 17.403 5.440 5.643 1.00 0.57 N ATOM 1209 CA CYS A 76 16.910 5.650 4.284 1.00 0.52 C ATOM 1210 C CYS A 76 17.343 4.525 3.334 1.00 0.51 C ATOM 1211 O CYS A 76 17.322 4.690 2.116 1.00 0.55 O ATOM 1212 CB CYS A 76 17.349 7.023 3.746 1.00 0.58 C ATOM 1213 SG CYS A 76 16.753 8.437 4.742 1.00 1.55 S ATOM 0 H CYS A 76 16.667 5.248 6.322 1.00 0.57 H new ATOM 0 HA CYS A 76 15.821 5.631 4.330 1.00 0.52 H new ATOM 0 HB2 CYS A 76 18.438 7.054 3.704 1.00 0.58 H new ATOM 0 HB3 CYS A 76 16.988 7.134 2.724 1.00 0.58 H new ATOM 1218 N LYS A 77 17.722 3.379 3.891 1.00 0.50 N ATOM 1219 CA LYS A 77 17.971 2.190 3.088 1.00 0.50 C ATOM 1220 C LYS A 77 16.820 1.207 3.278 1.00 0.47 C ATOM 1221 O LYS A 77 16.456 0.882 4.412 1.00 0.51 O ATOM 1222 CB LYS A 77 19.308 1.544 3.462 1.00 0.60 C ATOM 1223 CG LYS A 77 19.601 0.270 2.686 1.00 1.30 C ATOM 1224 CD LYS A 77 19.559 0.512 1.184 1.00 1.57 C ATOM 1225 CE LYS A 77 19.722 -0.779 0.396 1.00 2.24 C ATOM 1226 NZ LYS A 77 21.078 -1.367 0.553 1.00 2.60 N ATOM 0 H LYS A 77 17.863 3.250 4.893 1.00 0.50 H new ATOM 0 HA LYS A 77 18.031 2.475 2.038 1.00 0.50 H new ATOM 0 HB2 LYS A 77 20.111 2.260 3.287 1.00 0.60 H new ATOM 0 HB3 LYS A 77 19.309 1.319 4.529 1.00 0.60 H new ATOM 0 HG2 LYS A 77 20.583 -0.111 2.967 1.00 1.30 H new ATOM 0 HG3 LYS A 77 18.873 -0.496 2.953 1.00 1.30 H new ATOM 0 HD2 LYS A 77 18.612 0.982 0.919 1.00 1.57 H new ATOM 0 HD3 LYS A 77 20.350 1.209 0.906 1.00 1.57 H new ATOM 0 HE2 LYS A 77 18.975 -1.501 0.726 1.00 2.24 H new ATOM 0 HE3 LYS A 77 19.533 -0.584 -0.660 1.00 2.24 H new ATOM 0 HZ1 LYS A 77 21.148 -2.235 -0.015 1.00 2.60 H new ATOM 0 HZ2 LYS A 77 21.792 -0.684 0.230 1.00 2.60 H new ATOM 0 HZ3 LYS A 77 21.244 -1.594 1.554 1.00 2.60 H new ATOM 1240 N TYR A 78 16.255 0.737 2.175 1.00 0.45 N ATOM 1241 CA TYR A 78 15.018 -0.020 2.219 1.00 0.47 C ATOM 1242 C TYR A 78 15.251 -1.493 1.920 1.00 0.52 C ATOM 1243 O TYR A 78 16.101 -1.845 1.103 1.00 0.59 O ATOM 1244 CB TYR A 78 14.040 0.567 1.199 1.00 0.48 C ATOM 1245 CG TYR A 78 14.182 2.066 1.046 1.00 0.65 C ATOM 1246 CD1 TYR A 78 13.643 2.941 1.980 1.00 0.91 C ATOM 1247 CD2 TYR A 78 14.875 2.600 -0.032 1.00 0.74 C ATOM 1248 CE1 TYR A 78 13.792 4.308 1.840 1.00 1.15 C ATOM 1249 CE2 TYR A 78 15.026 3.963 -0.179 1.00 0.99 C ATOM 1250 CZ TYR A 78 14.484 4.811 0.758 1.00 1.17 C ATOM 1251 OH TYR A 78 14.640 6.169 0.618 1.00 1.44 O ATOM 0 H TYR A 78 16.637 0.868 1.238 1.00 0.45 H new ATOM 0 HA TYR A 78 14.605 0.051 3.225 1.00 0.47 H new ATOM 0 HB2 TYR A 78 14.201 0.091 0.232 1.00 0.48 H new ATOM 0 HB3 TYR A 78 13.020 0.332 1.504 1.00 0.48 H new ATOM 0 HD1 TYR A 78 13.100 2.548 2.827 1.00 0.91 H new ATOM 0 HD2 TYR A 78 15.303 1.936 -0.768 1.00 0.74 H new ATOM 0 HE1 TYR A 78 13.369 4.978 2.574 1.00 1.15 H new ATOM 0 HE2 TYR A 78 15.567 4.362 -1.025 1.00 0.99 H new ATOM 0 HH TYR A 78 15.025 6.365 -0.261 1.00 1.44 H new ATOM 1261 N LYS A 79 14.500 -2.337 2.609 1.00 0.53 N ATOM 1262 CA LYS A 79 14.500 -3.768 2.353 1.00 0.58 C ATOM 1263 C LYS A 79 13.153 -4.182 1.775 1.00 0.46 C ATOM 1264 O LYS A 79 12.109 -3.778 2.285 1.00 0.47 O ATOM 1265 CB LYS A 79 14.779 -4.541 3.648 1.00 0.78 C ATOM 1266 CG LYS A 79 14.621 -6.052 3.524 1.00 1.39 C ATOM 1267 CD LYS A 79 15.681 -6.673 2.623 1.00 2.02 C ATOM 1268 CE LYS A 79 17.070 -6.568 3.235 1.00 2.63 C ATOM 1269 NZ LYS A 79 18.085 -7.320 2.447 1.00 3.52 N ATOM 0 H LYS A 79 13.874 -2.049 3.361 1.00 0.53 H new ATOM 0 HA LYS A 79 15.286 -4.002 1.635 1.00 0.58 H new ATOM 0 HB2 LYS A 79 15.794 -4.320 3.978 1.00 0.78 H new ATOM 0 HB3 LYS A 79 14.105 -4.180 4.425 1.00 0.78 H new ATOM 0 HG2 LYS A 79 14.680 -6.504 4.514 1.00 1.39 H new ATOM 0 HG3 LYS A 79 13.632 -6.280 3.128 1.00 1.39 H new ATOM 0 HD2 LYS A 79 15.440 -7.721 2.446 1.00 2.02 H new ATOM 0 HD3 LYS A 79 15.672 -6.175 1.653 1.00 2.02 H new ATOM 0 HE2 LYS A 79 17.362 -5.519 3.295 1.00 2.63 H new ATOM 0 HE3 LYS A 79 17.047 -6.951 4.255 1.00 2.63 H new ATOM 0 HZ1 LYS A 79 19.017 -7.222 2.898 1.00 3.52 H new ATOM 0 HZ2 LYS A 79 17.821 -8.325 2.411 1.00 3.52 H new ATOM 0 HZ3 LYS A 79 18.127 -6.938 1.480 1.00 3.52 H new ATOM 1283 N LEU A 80 13.187 -4.961 0.707 1.00 0.45 N ATOM 1284 CA LEU A 80 11.971 -5.455 0.084 1.00 0.41 C ATOM 1285 C LEU A 80 11.489 -6.720 0.785 1.00 0.42 C ATOM 1286 O LEU A 80 12.270 -7.641 1.037 1.00 0.49 O ATOM 1287 CB LEU A 80 12.210 -5.741 -1.400 1.00 0.50 C ATOM 1288 CG LEU A 80 11.288 -5.006 -2.365 1.00 0.58 C ATOM 1289 CD1 LEU A 80 11.711 -5.267 -3.803 1.00 1.34 C ATOM 1290 CD2 LEU A 80 9.841 -5.417 -2.149 1.00 0.74 C ATOM 0 H LEU A 80 14.047 -5.266 0.252 1.00 0.45 H new ATOM 0 HA LEU A 80 11.203 -4.687 0.176 1.00 0.41 H new ATOM 0 HB2 LEU A 80 13.241 -5.482 -1.641 1.00 0.50 H new ATOM 0 HB3 LEU A 80 12.103 -6.813 -1.568 1.00 0.50 H new ATOM 0 HG LEU A 80 11.368 -3.937 -2.169 1.00 0.58 H new ATOM 0 HD11 LEU A 80 11.043 -4.735 -4.481 1.00 1.34 H new ATOM 0 HD12 LEU A 80 12.732 -4.917 -3.951 1.00 1.34 H new ATOM 0 HD13 LEU A 80 11.661 -6.336 -4.009 1.00 1.34 H new ATOM 0 HD21 LEU A 80 9.202 -4.879 -2.849 1.00 0.74 H new ATOM 0 HD22 LEU A 80 9.739 -6.490 -2.314 1.00 0.74 H new ATOM 0 HD23 LEU A 80 9.543 -5.177 -1.128 1.00 0.74 H new ATOM 1302 N LYS A 81 10.207 -6.750 1.100 1.00 0.40 N ATOM 1303 CA LYS A 81 9.601 -7.895 1.758 1.00 0.44 C ATOM 1304 C LYS A 81 8.353 -8.327 0.998 1.00 0.38 C ATOM 1305 O LYS A 81 7.301 -7.699 1.100 1.00 0.36 O ATOM 1306 CB LYS A 81 9.256 -7.535 3.208 1.00 0.49 C ATOM 1307 CG LYS A 81 8.514 -8.620 3.970 1.00 0.60 C ATOM 1308 CD LYS A 81 8.162 -8.153 5.374 1.00 0.71 C ATOM 1309 CE LYS A 81 7.386 -9.206 6.149 1.00 1.18 C ATOM 1310 NZ LYS A 81 6.039 -9.462 5.571 1.00 1.87 N ATOM 0 H LYS A 81 9.559 -5.986 0.909 1.00 0.40 H new ATOM 0 HA LYS A 81 10.306 -8.726 1.765 1.00 0.44 H new ATOM 0 HB2 LYS A 81 10.178 -7.302 3.740 1.00 0.49 H new ATOM 0 HB3 LYS A 81 8.650 -6.629 3.209 1.00 0.49 H new ATOM 0 HG2 LYS A 81 7.604 -8.890 3.433 1.00 0.60 H new ATOM 0 HG3 LYS A 81 9.130 -9.518 4.025 1.00 0.60 H new ATOM 0 HD2 LYS A 81 9.076 -7.907 5.914 1.00 0.71 H new ATOM 0 HD3 LYS A 81 7.571 -7.239 5.314 1.00 0.71 H new ATOM 0 HE2 LYS A 81 7.955 -10.136 6.162 1.00 1.18 H new ATOM 0 HE3 LYS A 81 7.278 -8.884 7.185 1.00 1.18 H new ATOM 0 HZ1 LYS A 81 5.500 -10.083 6.208 1.00 1.87 H new ATOM 0 HZ2 LYS A 81 5.533 -8.560 5.457 1.00 1.87 H new ATOM 0 HZ3 LYS A 81 6.141 -9.922 4.644 1.00 1.87 H new ATOM 1324 N LYS A 82 8.478 -9.390 0.227 1.00 0.40 N ATOM 1325 CA LYS A 82 7.374 -9.874 -0.578 1.00 0.37 C ATOM 1326 C LYS A 82 6.597 -10.939 0.181 1.00 0.36 C ATOM 1327 O LYS A 82 7.128 -12.006 0.502 1.00 0.46 O ATOM 1328 CB LYS A 82 7.916 -10.422 -1.899 1.00 0.47 C ATOM 1329 CG LYS A 82 8.665 -9.370 -2.699 1.00 0.54 C ATOM 1330 CD LYS A 82 9.461 -9.983 -3.836 1.00 0.76 C ATOM 1331 CE LYS A 82 10.195 -8.913 -4.627 1.00 0.90 C ATOM 1332 NZ LYS A 82 11.061 -9.488 -5.689 1.00 1.10 N ATOM 0 H LYS A 82 9.335 -9.936 0.141 1.00 0.40 H new ATOM 0 HA LYS A 82 6.689 -9.054 -0.794 1.00 0.37 H new ATOM 0 HB2 LYS A 82 8.581 -11.261 -1.695 1.00 0.47 H new ATOM 0 HB3 LYS A 82 7.089 -10.808 -2.496 1.00 0.47 H new ATOM 0 HG2 LYS A 82 7.956 -8.647 -3.101 1.00 0.54 H new ATOM 0 HG3 LYS A 82 9.338 -8.823 -2.039 1.00 0.54 H new ATOM 0 HD2 LYS A 82 10.178 -10.701 -3.437 1.00 0.76 H new ATOM 0 HD3 LYS A 82 8.792 -10.534 -4.497 1.00 0.76 H new ATOM 0 HE2 LYS A 82 9.469 -8.238 -5.080 1.00 0.90 H new ATOM 0 HE3 LYS A 82 10.805 -8.317 -3.948 1.00 0.90 H new ATOM 0 HZ1 LYS A 82 11.474 -8.719 -6.254 1.00 1.10 H new ATOM 0 HZ2 LYS A 82 11.823 -10.044 -5.252 1.00 1.10 H new ATOM 0 HZ3 LYS A 82 10.493 -10.104 -6.305 1.00 1.10 H new ATOM 1346 N SER A 83 5.347 -10.638 0.485 1.00 0.31 N ATOM 1347 CA SER A 83 4.513 -11.531 1.272 1.00 0.36 C ATOM 1348 C SER A 83 3.084 -11.535 0.736 1.00 0.31 C ATOM 1349 O SER A 83 2.756 -10.787 -0.184 1.00 0.50 O ATOM 1350 CB SER A 83 4.526 -11.082 2.736 1.00 0.46 C ATOM 1351 OG SER A 83 5.856 -10.900 3.203 1.00 1.12 O ATOM 0 H SER A 83 4.884 -9.776 0.197 1.00 0.31 H new ATOM 0 HA SER A 83 4.909 -12.544 1.201 1.00 0.36 H new ATOM 0 HB2 SER A 83 3.970 -10.150 2.839 1.00 0.46 H new ATOM 0 HB3 SER A 83 4.019 -11.825 3.352 1.00 0.46 H new ATOM 0 HG SER A 83 6.048 -11.554 3.907 1.00 1.12 H new ATOM 1357 N THR A 84 2.244 -12.390 1.292 1.00 0.25 N ATOM 1358 CA THR A 84 0.837 -12.422 0.931 1.00 0.23 C ATOM 1359 C THR A 84 -0.022 -12.495 2.189 1.00 0.22 C ATOM 1360 O THR A 84 0.012 -13.487 2.917 1.00 0.29 O ATOM 1361 CB THR A 84 0.530 -13.617 0.008 1.00 0.27 C ATOM 1362 OG1 THR A 84 1.506 -13.666 -1.040 1.00 0.35 O ATOM 1363 CG2 THR A 84 -0.857 -13.504 -0.606 1.00 0.27 C ATOM 0 H THR A 84 2.513 -13.075 1.999 1.00 0.25 H new ATOM 0 HA THR A 84 0.602 -11.506 0.389 1.00 0.23 H new ATOM 0 HB THR A 84 0.565 -14.527 0.606 1.00 0.27 H new ATOM 0 HG1 THR A 84 1.316 -14.426 -1.629 1.00 0.35 H new ATOM 0 HG21 THR A 84 -1.040 -14.363 -1.251 1.00 0.27 H new ATOM 0 HG22 THR A 84 -1.605 -13.479 0.187 1.00 0.27 H new ATOM 0 HG23 THR A 84 -0.921 -12.588 -1.194 1.00 0.27 H new ATOM 1371 N ASN A 85 -0.774 -11.436 2.444 1.00 0.18 N ATOM 1372 CA ASN A 85 -1.593 -11.348 3.642 1.00 0.18 C ATOM 1373 C ASN A 85 -2.784 -10.446 3.373 1.00 0.17 C ATOM 1374 O ASN A 85 -2.774 -9.670 2.413 1.00 0.18 O ATOM 1375 CB ASN A 85 -0.792 -10.790 4.818 1.00 0.21 C ATOM 1376 CG ASN A 85 -1.273 -11.325 6.155 1.00 0.30 C ATOM 1377 OD1 ASN A 85 -2.442 -11.683 6.315 1.00 0.61 O ATOM 1378 ND2 ASN A 85 -0.379 -11.385 7.128 1.00 0.37 N ATOM 0 H ASN A 85 -0.834 -10.621 1.833 1.00 0.18 H new ATOM 0 HA ASN A 85 -1.931 -12.351 3.901 1.00 0.18 H new ATOM 0 HB2 ASN A 85 0.261 -11.040 4.688 1.00 0.21 H new ATOM 0 HB3 ASN A 85 -0.863 -9.702 4.819 1.00 0.21 H new ATOM 0 HD21 ASN A 85 -0.648 -11.736 8.047 1.00 0.37 H new ATOM 0 HD22 ASN A 85 0.580 -11.080 6.959 1.00 0.37 H new ATOM 1385 N LYS A 86 -3.818 -10.573 4.190 1.00 0.19 N ATOM 1386 CA LYS A 86 -4.939 -9.657 4.143 1.00 0.19 C ATOM 1387 C LYS A 86 -4.491 -8.326 4.732 1.00 0.18 C ATOM 1388 O LYS A 86 -3.418 -8.249 5.326 1.00 0.21 O ATOM 1389 CB LYS A 86 -6.113 -10.225 4.943 1.00 0.24 C ATOM 1390 CG LYS A 86 -6.330 -11.717 4.739 1.00 0.37 C ATOM 1391 CD LYS A 86 -7.565 -12.189 5.474 1.00 0.33 C ATOM 1392 CE LYS A 86 -7.652 -13.706 5.540 1.00 0.55 C ATOM 1393 NZ LYS A 86 -8.066 -14.314 4.248 1.00 1.17 N ATOM 0 H LYS A 86 -3.901 -11.306 4.895 1.00 0.19 H new ATOM 0 HA LYS A 86 -5.268 -9.515 3.113 1.00 0.19 H new ATOM 0 HB2 LYS A 86 -5.945 -10.033 6.003 1.00 0.24 H new ATOM 0 HB3 LYS A 86 -7.022 -9.693 4.663 1.00 0.24 H new ATOM 0 HG2 LYS A 86 -6.431 -11.932 3.675 1.00 0.37 H new ATOM 0 HG3 LYS A 86 -5.458 -12.267 5.094 1.00 0.37 H new ATOM 0 HD2 LYS A 86 -7.561 -11.783 6.486 1.00 0.33 H new ATOM 0 HD3 LYS A 86 -8.453 -11.797 4.977 1.00 0.33 H new ATOM 0 HE2 LYS A 86 -6.682 -14.109 5.832 1.00 0.55 H new ATOM 0 HE3 LYS A 86 -8.363 -13.992 6.315 1.00 0.55 H new ATOM 0 HZ1 LYS A 86 -8.208 -15.336 4.375 1.00 1.17 H new ATOM 0 HZ2 LYS A 86 -8.955 -13.878 3.928 1.00 1.17 H new ATOM 0 HZ3 LYS A 86 -7.326 -14.153 3.536 1.00 1.17 H new ATOM 1407 N PHE A 87 -5.280 -7.283 4.571 1.00 0.17 N ATOM 1408 CA PHE A 87 -4.911 -5.988 5.120 1.00 0.18 C ATOM 1409 C PHE A 87 -6.132 -5.113 5.343 1.00 0.18 C ATOM 1410 O PHE A 87 -7.144 -5.256 4.659 1.00 0.19 O ATOM 1411 CB PHE A 87 -3.896 -5.282 4.213 1.00 0.20 C ATOM 1412 CG PHE A 87 -4.356 -5.077 2.793 1.00 0.18 C ATOM 1413 CD1 PHE A 87 -4.260 -6.098 1.859 1.00 0.27 C ATOM 1414 CD2 PHE A 87 -4.897 -3.866 2.393 1.00 0.22 C ATOM 1415 CE1 PHE A 87 -4.694 -5.913 0.558 1.00 0.29 C ATOM 1416 CE2 PHE A 87 -5.328 -3.678 1.095 1.00 0.22 C ATOM 1417 CZ PHE A 87 -5.185 -4.701 0.162 1.00 0.20 C ATOM 0 H PHE A 87 -6.169 -7.302 4.072 1.00 0.17 H new ATOM 0 HA PHE A 87 -4.444 -6.160 6.090 1.00 0.18 H new ATOM 0 HB2 PHE A 87 -3.656 -4.311 4.646 1.00 0.20 H new ATOM 0 HB3 PHE A 87 -2.974 -5.863 4.201 1.00 0.20 H new ATOM 0 HD1 PHE A 87 -3.841 -7.050 2.151 1.00 0.27 H new ATOM 0 HD2 PHE A 87 -4.983 -3.059 3.105 1.00 0.22 H new ATOM 0 HE1 PHE A 87 -4.644 -6.730 -0.147 1.00 0.29 H new ATOM 0 HE2 PHE A 87 -5.775 -2.739 0.804 1.00 0.22 H new ATOM 0 HZ PHE A 87 -5.461 -4.538 -0.869 1.00 0.20 H new ATOM 1427 N CYS A 88 -6.045 -4.237 6.328 1.00 0.20 N ATOM 1428 CA CYS A 88 -7.125 -3.325 6.629 1.00 0.20 C ATOM 1429 C CYS A 88 -6.853 -1.965 6.018 1.00 0.20 C ATOM 1430 O CYS A 88 -5.829 -1.333 6.301 1.00 0.23 O ATOM 1431 CB CYS A 88 -7.304 -3.179 8.138 1.00 0.25 C ATOM 1432 SG CYS A 88 -8.560 -1.943 8.606 1.00 0.49 S ATOM 0 H CYS A 88 -5.231 -4.141 6.934 1.00 0.20 H new ATOM 0 HA CYS A 88 -8.041 -3.734 6.202 1.00 0.20 H new ATOM 0 HB2 CYS A 88 -7.583 -4.145 8.558 1.00 0.25 H new ATOM 0 HB3 CYS A 88 -6.349 -2.901 8.584 1.00 0.25 H new ATOM 1437 N VAL A 89 -7.758 -1.523 5.172 1.00 0.21 N ATOM 1438 CA VAL A 89 -7.679 -0.196 4.603 1.00 0.22 C ATOM 1439 C VAL A 89 -8.773 0.678 5.190 1.00 0.24 C ATOM 1440 O VAL A 89 -9.869 0.200 5.497 1.00 0.24 O ATOM 1441 CB VAL A 89 -7.795 -0.214 3.061 1.00 0.21 C ATOM 1442 CG1 VAL A 89 -6.504 -0.717 2.434 1.00 0.22 C ATOM 1443 CG2 VAL A 89 -8.976 -1.068 2.612 1.00 0.20 C ATOM 0 H VAL A 89 -8.562 -2.068 4.862 1.00 0.21 H new ATOM 0 HA VAL A 89 -6.699 0.212 4.853 1.00 0.22 H new ATOM 0 HB VAL A 89 -7.969 0.808 2.723 1.00 0.21 H new ATOM 0 HG11 VAL A 89 -6.605 -0.723 1.349 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -5.681 -0.061 2.719 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -6.299 -1.729 2.785 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -9.035 -1.064 1.524 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -8.840 -2.091 2.964 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -9.898 -0.661 3.027 1.00 0.20 H new ATOM 1453 N THR A 90 -8.467 1.945 5.394 1.00 0.26 N ATOM 1454 CA THR A 90 -9.461 2.875 5.870 1.00 0.28 C ATOM 1455 C THR A 90 -10.275 3.373 4.683 1.00 0.25 C ATOM 1456 O THR A 90 -9.781 4.152 3.861 1.00 0.25 O ATOM 1457 CB THR A 90 -8.815 4.071 6.590 1.00 0.33 C ATOM 1458 OG1 THR A 90 -7.831 3.604 7.523 1.00 0.35 O ATOM 1459 CG2 THR A 90 -9.864 4.895 7.324 1.00 0.40 C ATOM 0 H THR A 90 -7.543 2.348 5.237 1.00 0.26 H new ATOM 0 HA THR A 90 -10.103 2.362 6.586 1.00 0.28 H new ATOM 0 HB THR A 90 -8.339 4.704 5.841 1.00 0.33 H new ATOM 0 HG1 THR A 90 -7.422 4.370 7.977 1.00 0.35 H new ATOM 0 HG21 THR A 90 -9.382 5.735 7.825 1.00 0.40 H new ATOM 0 HG22 THR A 90 -10.597 5.271 6.610 1.00 0.40 H new ATOM 0 HG23 THR A 90 -10.365 4.270 8.063 1.00 0.40 H new ATOM 1467 N CYS A 91 -11.501 2.903 4.581 1.00 0.23 N ATOM 1468 CA CYS A 91 -12.348 3.236 3.452 1.00 0.22 C ATOM 1469 C CYS A 91 -13.114 4.526 3.685 1.00 0.25 C ATOM 1470 O CYS A 91 -13.765 4.692 4.714 1.00 0.29 O ATOM 1471 CB CYS A 91 -13.309 2.087 3.200 1.00 0.20 C ATOM 1472 SG CYS A 91 -12.459 0.519 2.867 1.00 0.20 S ATOM 0 H CYS A 91 -11.935 2.287 5.268 1.00 0.23 H new ATOM 0 HA CYS A 91 -11.716 3.392 2.577 1.00 0.22 H new ATOM 0 HB2 CYS A 91 -13.958 1.966 4.067 1.00 0.20 H new ATOM 0 HB3 CYS A 91 -13.950 2.334 2.354 1.00 0.20 H new ATOM 1477 N GLU A 92 -13.014 5.440 2.730 1.00 0.24 N ATOM 1478 CA GLU A 92 -13.767 6.680 2.773 1.00 0.29 C ATOM 1479 C GLU A 92 -14.089 7.127 1.351 1.00 0.27 C ATOM 1480 O GLU A 92 -13.235 7.058 0.469 1.00 0.27 O ATOM 1481 CB GLU A 92 -12.979 7.757 3.518 1.00 0.38 C ATOM 1482 CG GLU A 92 -13.794 8.999 3.837 1.00 0.48 C ATOM 1483 CD GLU A 92 -13.014 10.036 4.615 1.00 0.56 C ATOM 1484 OE1 GLU A 92 -12.227 10.778 3.996 1.00 0.76 O ATOM 1485 OE2 GLU A 92 -13.159 10.099 5.857 1.00 0.76 O ATOM 0 H GLU A 92 -12.413 5.342 1.911 1.00 0.24 H new ATOM 0 HA GLU A 92 -14.701 6.517 3.311 1.00 0.29 H new ATOM 0 HB2 GLU A 92 -12.595 7.336 4.447 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -12.116 8.044 2.918 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -14.149 9.442 2.907 1.00 0.48 H new ATOM 0 HG3 GLU A 92 -14.676 8.711 4.410 1.00 0.48 H new ATOM 1492 N ASN A 93 -15.332 7.554 1.138 1.00 0.29 N ATOM 1493 CA ASN A 93 -15.829 7.954 -0.184 1.00 0.31 C ATOM 1494 C ASN A 93 -15.677 6.822 -1.199 1.00 0.28 C ATOM 1495 O ASN A 93 -15.502 7.064 -2.395 1.00 0.31 O ATOM 1496 CB ASN A 93 -15.118 9.218 -0.690 1.00 0.35 C ATOM 1497 CG ASN A 93 -15.370 10.434 0.184 1.00 0.43 C ATOM 1498 OD1 ASN A 93 -16.379 11.121 0.042 1.00 0.69 O ATOM 1499 ND2 ASN A 93 -14.436 10.730 1.073 1.00 0.65 N ATOM 0 H ASN A 93 -16.029 7.634 1.879 1.00 0.29 H new ATOM 0 HA ASN A 93 -16.890 8.178 -0.074 1.00 0.31 H new ATOM 0 HB2 ASN A 93 -14.046 9.029 -0.739 1.00 0.35 H new ATOM 0 HB3 ASN A 93 -15.451 9.433 -1.706 1.00 0.35 H new ATOM 0 HD21 ASN A 93 -14.541 11.552 1.668 1.00 0.65 H new ATOM 0 HD22 ASN A 93 -13.611 10.137 1.163 1.00 0.65 H new ATOM 1506 N GLN A 94 -15.779 5.588 -0.704 1.00 0.26 N ATOM 1507 CA GLN A 94 -15.693 4.380 -1.525 1.00 0.25 C ATOM 1508 C GLN A 94 -14.300 4.190 -2.098 1.00 0.22 C ATOM 1509 O GLN A 94 -14.128 3.604 -3.167 1.00 0.26 O ATOM 1510 CB GLN A 94 -16.731 4.398 -2.647 1.00 0.31 C ATOM 1511 CG GLN A 94 -18.160 4.348 -2.136 1.00 0.36 C ATOM 1512 CD GLN A 94 -19.172 4.125 -3.237 1.00 0.44 C ATOM 1513 OE1 GLN A 94 -20.318 4.566 -3.146 1.00 0.69 O ATOM 1514 NE2 GLN A 94 -18.762 3.440 -4.286 1.00 0.48 N ATOM 0 H GLN A 94 -15.925 5.397 0.287 1.00 0.26 H new ATOM 0 HA GLN A 94 -15.906 3.534 -0.871 1.00 0.25 H new ATOM 0 HB2 GLN A 94 -16.596 5.300 -3.244 1.00 0.31 H new ATOM 0 HB3 GLN A 94 -16.558 3.549 -3.308 1.00 0.31 H new ATOM 0 HG2 GLN A 94 -18.249 3.549 -1.400 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -18.390 5.282 -1.622 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -17.804 3.091 -4.325 1.00 0.48 H new ATOM 0 HE22 GLN A 94 -19.402 3.259 -5.059 1.00 0.48 H new ATOM 1523 N ALA A 95 -13.305 4.668 -1.372 1.00 0.20 N ATOM 1524 CA ALA A 95 -11.921 4.495 -1.769 1.00 0.19 C ATOM 1525 C ALA A 95 -11.021 4.319 -0.550 1.00 0.17 C ATOM 1526 O ALA A 95 -11.207 4.986 0.469 1.00 0.19 O ATOM 1527 CB ALA A 95 -11.459 5.681 -2.604 1.00 0.21 C ATOM 0 H ALA A 95 -13.432 5.182 -0.500 1.00 0.20 H new ATOM 0 HA ALA A 95 -11.851 3.591 -2.374 1.00 0.19 H new ATOM 0 HB1 ALA A 95 -10.418 5.538 -2.895 1.00 0.21 H new ATOM 0 HB2 ALA A 95 -12.078 5.760 -3.498 1.00 0.21 H new ATOM 0 HB3 ALA A 95 -11.549 6.596 -2.018 1.00 0.21 H new ATOM 1533 N PRO A 96 -10.074 3.372 -0.621 1.00 0.16 N ATOM 1534 CA PRO A 96 -9.031 3.224 0.397 1.00 0.17 C ATOM 1535 C PRO A 96 -8.145 4.463 0.457 1.00 0.19 C ATOM 1536 O PRO A 96 -7.296 4.670 -0.404 1.00 0.25 O ATOM 1537 CB PRO A 96 -8.212 2.017 -0.069 1.00 0.19 C ATOM 1538 CG PRO A 96 -9.047 1.324 -1.094 1.00 0.17 C ATOM 1539 CD PRO A 96 -9.972 2.355 -1.678 1.00 0.17 C ATOM 0 HA PRO A 96 -9.451 3.094 1.394 1.00 0.17 H new ATOM 0 HB2 PRO A 96 -7.258 2.332 -0.491 1.00 0.19 H new ATOM 0 HB3 PRO A 96 -7.987 1.353 0.765 1.00 0.19 H new ATOM 0 HG2 PRO A 96 -8.420 0.885 -1.870 1.00 0.17 H new ATOM 0 HG3 PRO A 96 -9.613 0.509 -0.643 1.00 0.17 H new ATOM 0 HD2 PRO A 96 -9.571 2.775 -2.601 1.00 0.17 H new ATOM 0 HD3 PRO A 96 -10.946 1.929 -1.918 1.00 0.17 H new ATOM 1547 N VAL A 97 -8.358 5.295 1.460 1.00 0.20 N ATOM 1548 CA VAL A 97 -7.642 6.560 1.549 1.00 0.24 C ATOM 1549 C VAL A 97 -6.553 6.521 2.614 1.00 0.27 C ATOM 1550 O VAL A 97 -5.634 7.336 2.601 1.00 0.35 O ATOM 1551 CB VAL A 97 -8.607 7.728 1.835 1.00 0.29 C ATOM 1552 CG1 VAL A 97 -9.564 7.928 0.671 1.00 0.33 C ATOM 1553 CG2 VAL A 97 -9.378 7.477 3.116 1.00 0.35 C ATOM 0 H VAL A 97 -9.015 5.122 2.221 1.00 0.20 H new ATOM 0 HA VAL A 97 -7.168 6.721 0.581 1.00 0.24 H new ATOM 0 HB VAL A 97 -8.019 8.637 1.957 1.00 0.29 H new ATOM 0 HG11 VAL A 97 -10.237 8.757 0.892 1.00 0.33 H new ATOM 0 HG12 VAL A 97 -8.996 8.152 -0.232 1.00 0.33 H new ATOM 0 HG13 VAL A 97 -10.146 7.019 0.518 1.00 0.33 H new ATOM 0 HG21 VAL A 97 -10.054 8.311 3.303 1.00 0.35 H new ATOM 0 HG22 VAL A 97 -9.954 6.557 3.019 1.00 0.35 H new ATOM 0 HG23 VAL A 97 -8.680 7.382 3.948 1.00 0.35 H new ATOM 1563 N HIS A 98 -6.655 5.573 3.533 1.00 0.30 N ATOM 1564 CA HIS A 98 -5.671 5.439 4.601 1.00 0.35 C ATOM 1565 C HIS A 98 -5.369 3.968 4.839 1.00 0.31 C ATOM 1566 O HIS A 98 -6.187 3.104 4.524 1.00 0.31 O ATOM 1567 CB HIS A 98 -6.167 6.097 5.897 1.00 0.42 C ATOM 1568 CG HIS A 98 -6.406 7.574 5.781 1.00 0.57 C ATOM 1569 ND1 HIS A 98 -5.393 8.490 5.620 1.00 1.03 N ATOM 1570 CD2 HIS A 98 -7.556 8.286 5.772 1.00 0.75 C ATOM 1571 CE1 HIS A 98 -5.910 9.700 5.514 1.00 1.08 C ATOM 1572 NE2 HIS A 98 -7.225 9.608 5.600 1.00 0.82 N ATOM 0 H HIS A 98 -7.407 4.885 3.563 1.00 0.30 H new ATOM 0 HA HIS A 98 -4.758 5.950 4.295 1.00 0.35 H new ATOM 0 HB2 HIS A 98 -7.093 5.613 6.206 1.00 0.42 H new ATOM 0 HB3 HIS A 98 -5.436 5.919 6.685 1.00 0.42 H new ATOM 0 HD2 HIS A 98 -8.554 7.887 5.880 1.00 0.75 H new ATOM 0 HE1 HIS A 98 -5.350 10.614 5.379 1.00 1.08 H new ATOM 0 HE2 HIS A 98 -7.883 10.386 5.548 1.00 0.82 H new ATOM 1581 N PHE A 99 -4.197 3.677 5.381 1.00 0.31 N ATOM 1582 CA PHE A 99 -3.791 2.298 5.601 1.00 0.29 C ATOM 1583 C PHE A 99 -3.703 1.993 7.094 1.00 0.29 C ATOM 1584 O PHE A 99 -3.107 2.754 7.859 1.00 0.36 O ATOM 1585 CB PHE A 99 -2.449 2.016 4.917 1.00 0.31 C ATOM 1586 CG PHE A 99 -2.084 0.560 4.895 1.00 0.30 C ATOM 1587 CD1 PHE A 99 -2.779 -0.337 4.100 1.00 0.29 C ATOM 1588 CD2 PHE A 99 -1.040 0.088 5.675 1.00 0.32 C ATOM 1589 CE1 PHE A 99 -2.439 -1.677 4.085 1.00 0.29 C ATOM 1590 CE2 PHE A 99 -0.695 -1.249 5.664 1.00 0.33 C ATOM 1591 CZ PHE A 99 -1.420 -2.139 4.842 1.00 0.31 C ATOM 0 H PHE A 99 -3.513 4.374 5.676 1.00 0.31 H new ATOM 0 HA PHE A 99 -4.546 1.646 5.162 1.00 0.29 H new ATOM 0 HB2 PHE A 99 -2.486 2.389 3.893 1.00 0.31 H new ATOM 0 HB3 PHE A 99 -1.664 2.572 5.430 1.00 0.31 H new ATOM 0 HD1 PHE A 99 -3.595 0.014 3.486 1.00 0.29 H new ATOM 0 HD2 PHE A 99 -0.489 0.775 6.300 1.00 0.32 H new ATOM 0 HE1 PHE A 99 -2.994 -2.362 3.461 1.00 0.29 H new ATOM 0 HE2 PHE A 99 0.119 -1.609 6.276 1.00 0.33 H new ATOM 0 HZ PHE A 99 -1.160 -3.187 4.818 1.00 0.31 H new ATOM 1601 N VAL A 100 -4.301 0.883 7.502 1.00 0.28 N ATOM 1602 CA VAL A 100 -4.299 0.485 8.903 1.00 0.28 C ATOM 1603 C VAL A 100 -3.169 -0.508 9.185 1.00 0.28 C ATOM 1604 O VAL A 100 -2.200 -0.178 9.866 1.00 0.32 O ATOM 1605 CB VAL A 100 -5.658 -0.127 9.307 1.00 0.27 C ATOM 1606 CG1 VAL A 100 -5.625 -0.654 10.736 1.00 0.29 C ATOM 1607 CG2 VAL A 100 -6.777 0.896 9.138 1.00 0.29 C ATOM 0 H VAL A 100 -4.795 0.241 6.882 1.00 0.28 H new ATOM 0 HA VAL A 100 -4.133 1.381 9.502 1.00 0.28 H new ATOM 0 HB VAL A 100 -5.855 -0.970 8.645 1.00 0.27 H new ATOM 0 HG11 VAL A 100 -6.596 -1.078 10.990 1.00 0.29 H new ATOM 0 HG12 VAL A 100 -4.859 -1.424 10.822 1.00 0.29 H new ATOM 0 HG13 VAL A 100 -5.396 0.163 11.420 1.00 0.29 H new ATOM 0 HG21 VAL A 100 -7.727 0.447 9.427 1.00 0.29 H new ATOM 0 HG22 VAL A 100 -6.577 1.761 9.770 1.00 0.29 H new ATOM 0 HG23 VAL A 100 -6.827 1.211 8.096 1.00 0.29 H new ATOM 1617 N GLY A 101 -3.291 -1.715 8.653 1.00 0.28 N ATOM 1618 CA GLY A 101 -2.254 -2.716 8.829 1.00 0.29 C ATOM 1619 C GLY A 101 -2.610 -4.006 8.137 1.00 0.25 C ATOM 1620 O GLY A 101 -3.728 -4.153 7.649 1.00 0.28 O ATOM 0 H GLY A 101 -4.092 -2.022 8.100 1.00 0.28 H new ATOM 0 HA2 GLY A 101 -1.311 -2.338 8.434 1.00 0.29 H new ATOM 0 HA3 GLY A 101 -2.103 -2.902 9.892 1.00 0.29 H new ATOM 1624 N VAL A 102 -1.680 -4.943 8.090 1.00 0.25 N ATOM 1625 CA VAL A 102 -1.926 -6.199 7.405 1.00 0.22 C ATOM 1626 C VAL A 102 -2.304 -7.289 8.399 1.00 0.24 C ATOM 1627 O VAL A 102 -1.988 -7.201 9.589 1.00 0.28 O ATOM 1628 CB VAL A 102 -0.719 -6.658 6.549 1.00 0.24 C ATOM 1629 CG1 VAL A 102 -0.037 -5.467 5.891 1.00 0.27 C ATOM 1630 CG2 VAL A 102 0.274 -7.485 7.354 1.00 0.25 C ATOM 0 H VAL A 102 -0.756 -4.860 8.514 1.00 0.25 H new ATOM 0 HA VAL A 102 -2.759 -6.024 6.724 1.00 0.22 H new ATOM 0 HB VAL A 102 -1.108 -7.306 5.764 1.00 0.24 H new ATOM 0 HG11 VAL A 102 0.807 -5.814 5.295 1.00 0.27 H new ATOM 0 HG12 VAL A 102 -0.748 -4.951 5.246 1.00 0.27 H new ATOM 0 HG13 VAL A 102 0.319 -4.781 6.660 1.00 0.27 H new ATOM 0 HG21 VAL A 102 1.103 -7.784 6.712 1.00 0.25 H new ATOM 0 HG22 VAL A 102 0.654 -6.890 8.184 1.00 0.25 H new ATOM 0 HG23 VAL A 102 -0.223 -8.374 7.742 1.00 0.25 H new ATOM 1640 N GLY A 103 -3.008 -8.294 7.909 1.00 0.24 N ATOM 1641 CA GLY A 103 -3.442 -9.391 8.747 1.00 0.29 C ATOM 1642 C GLY A 103 -4.855 -9.195 9.252 1.00 0.28 C ATOM 1643 O GLY A 103 -5.772 -9.918 8.862 1.00 0.34 O ATOM 0 H GLY A 103 -3.291 -8.371 6.932 1.00 0.24 H new ATOM 0 HA2 GLY A 103 -3.384 -10.322 8.183 1.00 0.29 H new ATOM 0 HA3 GLY A 103 -2.764 -9.489 9.595 1.00 0.29 H new ATOM 1647 N SER A 104 -5.026 -8.208 10.114 1.00 0.33 N ATOM 1648 CA SER A 104 -6.326 -7.887 10.674 1.00 0.32 C ATOM 1649 C SER A 104 -6.426 -6.388 10.919 1.00 0.39 C ATOM 1650 O SER A 104 -5.479 -5.645 10.652 1.00 0.59 O ATOM 1651 CB SER A 104 -6.540 -8.667 11.974 1.00 0.45 C ATOM 1652 OG SER A 104 -5.411 -8.555 12.831 1.00 1.38 O ATOM 0 H SER A 104 -4.270 -7.608 10.444 1.00 0.33 H new ATOM 0 HA SER A 104 -7.106 -8.174 9.969 1.00 0.32 H new ATOM 0 HB2 SER A 104 -7.427 -8.292 12.485 1.00 0.45 H new ATOM 0 HB3 SER A 104 -6.724 -9.717 11.746 1.00 0.45 H new ATOM 0 HG SER A 104 -5.574 -9.061 13.655 1.00 1.38 H new ATOM 1658 N CYS A 105 -7.570 -5.947 11.404 1.00 0.39 N ATOM 1659 CA CYS A 105 -7.770 -4.545 11.711 1.00 0.53 C ATOM 1660 C CYS A 105 -8.171 -4.395 13.172 1.00 0.48 C ATOM 1661 O CYS A 105 -9.356 -4.640 13.489 1.00 1.10 O ATOM 1662 CB CYS A 105 -8.846 -3.939 10.811 1.00 0.82 C ATOM 1663 SG CYS A 105 -8.711 -2.146 10.615 1.00 1.01 S ATOM 1664 OXT CYS A 105 -7.298 -4.062 14.000 1.00 1.20 O ATOM 0 H CYS A 105 -8.377 -6.541 11.594 1.00 0.39 H new ATOM 0 HA CYS A 105 -6.836 -4.013 11.532 1.00 0.53 H new ATOM 0 HB2 CYS A 105 -8.790 -4.407 9.828 1.00 0.82 H new ATOM 0 HB3 CYS A 105 -9.827 -4.177 11.223 1.00 0.82 H new TER 1669 CYS A 105