USER MOD reduce.3.24.130724 H: found=0, std=0, add=1109, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1111 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 NoAdj : A 62 GLNHE21 : A 62 GLN OE1 : A 151 CACA :(metal ligand) USER MOD NoAdj : A 62 GLNHE22 : A 62 GLN OE1 : A 151 CACA :(metal ligand) USER MOD Set 1.1: A 146 SER OG : rot -88:sc= 0.0486 USER MOD Set 1.2: A 147 GLN : amide:sc= 0.238 K(o=0.29,f=-0.94!) USER MOD Set 2.1: A 36 MET CE :methyl -168:sc= -0.898 (180deg=0) USER MOD Set 2.2: A 41 GLN :FLIP amide:sc= -0.749 F(o=-5.1,f=-4.1) USER MOD Set 2.3: A 72 MET CE :methyl 177:sc= -0.363 (180deg=-0.353) USER MOD Set 2.4: A 75 GLN :FLIP amide:sc= -2.1 F(o=-7.6!,f=-4.1) USER MOD Set 2.5: A 76 MET CE :methyl -168:sc=-0.00999 (180deg=0) USER MOD Single : A 2 SER OG : rot 27:sc= 0.0329 USER MOD Single : A 5 THR OG1 : rot -170:sc= -0.365 USER MOD Single : A 8 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.28) USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= -0.0117 (180deg=-0.203) USER MOD Single : A 18 GLN : amide:sc= -0.564 X(o=-0.56,f=-0.17) USER MOD Single : A 21 LYS NZ :NH3+ 133:sc= -0.288 (180deg=-1.15!) USER MOD Single : A 26 LYS NZ :NH3+ 173:sc= -0.557 (180deg=-0.615) USER MOD Single : A 29 THR OG1 : rot -25:sc= 0.477 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -20:sc= 0.301 USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0544 K(o=-0.054,f=-0.71) USER MOD Single : A 57 ASN : amide:sc= -0.0997 X(o=-0.1,f=-0.19) USER MOD Single : A 58 ASN :FLIP amide:sc= 1.08 F(o=-0.11,f=1.1) USER MOD Single : A 59 ASN : amide:sc= -1.39! C(o=-1.4!,f=-3.2!) USER MOD Single : A 60 ASN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 64 ASN : amide:sc= -1.92! C(o=-1.9!,f=-4.6!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0697 USER MOD Single : A 69 CYS SG : rot 72:sc= -1.88! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 85:sc= 0.768 USER MOD Single : A 85 MET CE :methyl 168:sc= -1.01 (180deg=-1.24) USER MOD Single : A 90 LYS NZ :NH3+ 151:sc= -1.81 (180deg=-4.39!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -172:sc= -10! (180deg=-10.6!) USER MOD Single : A 111 ASN :FLIP amide:sc= 1.33 F(o=-1.5!,f=1.3) USER MOD Single : A 115 LYS NZ :NH3+ -163:sc= -0.0574 (180deg=-0.358) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 124 MET CE :methyl 134:sc= -0.985 (180deg=-2.25!) USER MOD Single : A 135 MET CE :methyl -125:sc= -0.507 (180deg=-2.15) USER MOD Single : A 137 ASN :FLIP amide:sc= -0.406 F(o=-3.1!,f=-0.41) USER MOD Single : A 138 TYR OH : rot 19:sc= -1.63! USER MOD Single : A 144 MET CE :methyl -166:sc= -4.28! (180deg=-5!) USER MOD Single : A 148 LYS NZ :NH3+ 165:sc= -0.058 (180deg=-0.278) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -0.475 8.496 -3.166 1.00 3.85 N ATOM 2 CA SER A 2 0.228 9.708 -2.675 1.00 3.35 C ATOM 3 C SER A 2 0.346 9.691 -1.153 1.00 2.64 C ATOM 4 O SER A 2 0.351 10.742 -0.512 1.00 3.12 O ATOM 5 CB SER A 2 -0.516 10.969 -3.125 1.00 4.09 C ATOM 6 OG SER A 2 -0.559 11.058 -4.539 1.00 4.89 O ATOM 0 HA SER A 2 1.232 9.713 -3.099 1.00 3.35 H new ATOM 0 HB2 SER A 2 -1.531 10.958 -2.727 1.00 4.09 H new ATOM 0 HB3 SER A 2 -0.023 11.851 -2.717 1.00 4.09 H new ATOM 0 HG SER A 2 -0.505 10.159 -4.925 1.00 4.89 H new ATOM 12 N GLU A 3 0.441 8.486 -0.588 1.00 1.91 N ATOM 13 CA GLU A 3 0.559 8.312 0.860 1.00 1.35 C ATOM 14 C GLU A 3 -0.701 8.782 1.580 1.00 1.08 C ATOM 15 O GLU A 3 -1.254 9.838 1.268 1.00 1.52 O ATOM 16 CB GLU A 3 1.781 9.061 1.399 1.00 1.52 C ATOM 17 CG GLU A 3 3.106 8.478 0.933 1.00 2.09 C ATOM 18 CD GLU A 3 3.339 7.073 1.455 1.00 2.74 C ATOM 19 OE1 GLU A 3 3.748 6.936 2.627 1.00 3.26 O ATOM 20 OE2 GLU A 3 3.112 6.112 0.692 1.00 3.22 O ATOM 0 H GLU A 3 0.438 7.612 -1.115 1.00 1.91 H new ATOM 0 HA GLU A 3 0.685 7.247 1.053 1.00 1.35 H new ATOM 0 HB2 GLU A 3 1.723 10.104 1.089 1.00 1.52 H new ATOM 0 HB3 GLU A 3 1.752 9.050 2.489 1.00 1.52 H new ATOM 0 HG2 GLU A 3 3.131 8.466 -0.157 1.00 2.09 H new ATOM 0 HG3 GLU A 3 3.919 9.124 1.263 1.00 2.09 H new ATOM 27 N LEU A 4 -1.153 7.989 2.545 1.00 0.73 N ATOM 28 CA LEU A 4 -2.348 8.319 3.312 1.00 0.45 C ATOM 29 C LEU A 4 -2.048 9.396 4.353 1.00 0.47 C ATOM 30 O LEU A 4 -1.802 9.093 5.520 1.00 0.58 O ATOM 31 CB LEU A 4 -2.901 7.063 3.996 1.00 0.41 C ATOM 32 CG LEU A 4 -3.041 5.836 3.091 1.00 0.50 C ATOM 33 CD1 LEU A 4 -3.507 4.633 3.894 1.00 1.27 C ATOM 34 CD2 LEU A 4 -4.009 6.118 1.951 1.00 1.19 C ATOM 0 H LEU A 4 -0.709 7.111 2.815 1.00 0.73 H new ATOM 0 HA LEU A 4 -3.098 8.709 2.624 1.00 0.45 H new ATOM 0 HB2 LEU A 4 -2.249 6.806 4.831 1.00 0.41 H new ATOM 0 HB3 LEU A 4 -3.879 7.298 4.416 1.00 0.41 H new ATOM 0 HG LEU A 4 -2.063 5.612 2.665 1.00 0.50 H new ATOM 0 HD11 LEU A 4 -3.601 3.770 3.235 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -2.781 4.414 4.677 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -4.474 4.851 4.347 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -4.095 5.234 1.319 1.00 1.19 H new ATOM 0 HD22 LEU A 4 -4.988 6.369 2.359 1.00 1.19 H new ATOM 0 HD23 LEU A 4 -3.638 6.954 1.357 1.00 1.19 H new ATOM 46 N THR A 5 -2.067 10.656 3.920 1.00 0.47 N ATOM 47 CA THR A 5 -1.798 11.778 4.814 1.00 0.54 C ATOM 48 C THR A 5 -2.941 11.975 5.806 1.00 0.51 C ATOM 49 O THR A 5 -3.814 11.120 5.932 1.00 0.55 O ATOM 50 CB THR A 5 -1.583 13.087 4.030 1.00 0.62 C ATOM 51 OG1 THR A 5 -2.755 13.398 3.266 1.00 1.12 O ATOM 52 CG2 THR A 5 -0.385 12.971 3.101 1.00 0.99 C ATOM 0 H THR A 5 -2.266 10.924 2.956 1.00 0.47 H new ATOM 0 HA THR A 5 -0.884 11.536 5.357 1.00 0.54 H new ATOM 0 HB THR A 5 -1.392 13.886 4.746 1.00 0.62 H new ATOM 0 HG1 THR A 5 -2.559 14.137 2.653 1.00 1.12 H new ATOM 0 HG21 THR A 5 -0.253 13.907 2.558 1.00 0.99 H new ATOM 0 HG22 THR A 5 0.510 12.762 3.686 1.00 0.99 H new ATOM 0 HG23 THR A 5 -0.552 12.161 2.391 1.00 0.99 H new ATOM 60 N GLU A 6 -2.937 13.106 6.505 1.00 0.60 N ATOM 61 CA GLU A 6 -3.980 13.397 7.482 1.00 0.62 C ATOM 62 C GLU A 6 -5.290 13.734 6.780 1.00 0.55 C ATOM 63 O GLU A 6 -6.365 13.308 7.207 1.00 0.53 O ATOM 64 CB GLU A 6 -3.554 14.548 8.395 1.00 0.75 C ATOM 65 CG GLU A 6 -3.296 15.844 7.652 1.00 1.46 C ATOM 66 CD GLU A 6 -3.069 17.017 8.586 1.00 1.74 C ATOM 67 OE1 GLU A 6 -1.905 17.251 8.973 1.00 2.20 O ATOM 68 OE2 GLU A 6 -4.056 17.703 8.929 1.00 2.00 O ATOM 0 H GLU A 6 -2.227 13.832 6.414 1.00 0.60 H new ATOM 0 HA GLU A 6 -4.134 12.509 8.095 1.00 0.62 H new ATOM 0 HB2 GLU A 6 -4.330 14.715 9.142 1.00 0.75 H new ATOM 0 HB3 GLU A 6 -2.650 14.260 8.932 1.00 0.75 H new ATOM 0 HG2 GLU A 6 -2.424 15.722 7.009 1.00 1.46 H new ATOM 0 HG3 GLU A 6 -4.144 16.061 7.002 1.00 1.46 H new ATOM 75 N GLU A 7 -5.189 14.493 5.695 1.00 0.58 N ATOM 76 CA GLU A 7 -6.358 14.887 4.923 1.00 0.58 C ATOM 77 C GLU A 7 -6.883 13.710 4.111 1.00 0.48 C ATOM 78 O GLU A 7 -8.093 13.520 3.984 1.00 0.46 O ATOM 79 CB GLU A 7 -6.009 16.051 3.994 1.00 0.69 C ATOM 80 CG GLU A 7 -4.810 15.780 3.098 1.00 0.69 C ATOM 81 CD GLU A 7 -4.550 16.908 2.120 1.00 1.02 C ATOM 82 OE1 GLU A 7 -3.978 17.937 2.538 1.00 1.35 O ATOM 83 OE2 GLU A 7 -4.920 16.764 0.936 1.00 1.19 O ATOM 0 H GLU A 7 -4.305 14.848 5.330 1.00 0.58 H new ATOM 0 HA GLU A 7 -7.137 15.207 5.615 1.00 0.58 H new ATOM 0 HB2 GLU A 7 -6.874 16.278 3.370 1.00 0.69 H new ATOM 0 HB3 GLU A 7 -5.809 16.937 4.596 1.00 0.69 H new ATOM 0 HG2 GLU A 7 -3.925 15.628 3.716 1.00 0.69 H new ATOM 0 HG3 GLU A 7 -4.975 14.855 2.545 1.00 0.69 H new ATOM 90 N GLN A 8 -5.961 12.922 3.568 1.00 0.44 N ATOM 91 CA GLN A 8 -6.323 11.756 2.771 1.00 0.37 C ATOM 92 C GLN A 8 -7.033 10.718 3.630 1.00 0.31 C ATOM 93 O GLN A 8 -8.092 10.214 3.256 1.00 0.29 O ATOM 94 CB GLN A 8 -5.076 11.140 2.137 1.00 0.40 C ATOM 95 CG GLN A 8 -4.444 12.010 1.063 1.00 0.48 C ATOM 96 CD GLN A 8 -5.327 12.166 -0.158 1.00 1.35 C ATOM 97 OE1 GLN A 8 -6.148 13.081 -0.234 1.00 2.22 O ATOM 98 NE2 GLN A 8 -5.162 11.271 -1.125 1.00 1.68 N ATOM 0 H GLN A 8 -4.957 13.070 3.666 1.00 0.44 H new ATOM 0 HA GLN A 8 -7.001 12.079 1.981 1.00 0.37 H new ATOM 0 HB2 GLN A 8 -4.339 10.948 2.917 1.00 0.40 H new ATOM 0 HB3 GLN A 8 -5.339 10.175 1.703 1.00 0.40 H new ATOM 0 HG2 GLN A 8 -4.229 12.994 1.479 1.00 0.48 H new ATOM 0 HG3 GLN A 8 -3.490 11.575 0.764 1.00 0.48 H new ATOM 0 HE21 GLN A 8 -4.470 10.529 -1.021 1.00 1.68 H new ATOM 0 HE22 GLN A 8 -5.727 11.326 -1.972 1.00 1.68 H new ATOM 107 N ILE A 9 -6.447 10.403 4.782 1.00 0.33 N ATOM 108 CA ILE A 9 -7.034 9.426 5.689 1.00 0.33 C ATOM 109 C ILE A 9 -8.457 9.819 6.055 1.00 0.34 C ATOM 110 O ILE A 9 -9.378 9.016 5.941 1.00 0.36 O ATOM 111 CB ILE A 9 -6.193 9.252 6.971 1.00 0.42 C ATOM 112 CG1 ILE A 9 -4.902 8.492 6.650 1.00 0.44 C ATOM 113 CG2 ILE A 9 -6.991 8.520 8.045 1.00 0.51 C ATOM 114 CD1 ILE A 9 -3.948 8.390 7.820 1.00 0.54 C ATOM 0 H ILE A 9 -5.570 10.809 5.107 1.00 0.33 H new ATOM 0 HA ILE A 9 -7.049 8.471 5.164 1.00 0.33 H new ATOM 0 HB ILE A 9 -5.935 10.239 7.355 1.00 0.42 H new ATOM 0 HG12 ILE A 9 -5.157 7.488 6.312 1.00 0.44 H new ATOM 0 HG13 ILE A 9 -4.395 8.988 5.822 1.00 0.44 H new ATOM 0 HG21 ILE A 9 -6.379 8.408 8.940 1.00 0.51 H new ATOM 0 HG22 ILE A 9 -7.886 9.093 8.287 1.00 0.51 H new ATOM 0 HG23 ILE A 9 -7.279 7.535 7.677 1.00 0.51 H new ATOM 0 HD11 ILE A 9 -3.058 7.839 7.517 1.00 0.54 H new ATOM 0 HD12 ILE A 9 -3.662 9.390 8.145 1.00 0.54 H new ATOM 0 HD13 ILE A 9 -4.436 7.867 8.643 1.00 0.54 H new ATOM 126 N ALA A 10 -8.629 11.064 6.481 1.00 0.36 N ATOM 127 CA ALA A 10 -9.943 11.562 6.858 1.00 0.40 C ATOM 128 C ALA A 10 -10.873 11.641 5.649 1.00 0.35 C ATOM 129 O ALA A 10 -12.096 11.610 5.793 1.00 0.36 O ATOM 130 CB ALA A 10 -9.813 12.929 7.512 1.00 0.50 C ATOM 0 H ALA A 10 -7.876 11.745 6.574 1.00 0.36 H new ATOM 0 HA ALA A 10 -10.379 10.863 7.571 1.00 0.40 H new ATOM 0 HB1 ALA A 10 -10.801 13.294 7.791 1.00 0.50 H new ATOM 0 HB2 ALA A 10 -9.191 12.848 8.403 1.00 0.50 H new ATOM 0 HB3 ALA A 10 -9.353 13.626 6.811 1.00 0.50 H new ATOM 136 N GLU A 11 -10.286 11.729 4.459 1.00 0.33 N ATOM 137 CA GLU A 11 -11.065 11.830 3.228 1.00 0.33 C ATOM 138 C GLU A 11 -11.794 10.525 2.908 1.00 0.27 C ATOM 139 O GLU A 11 -13.020 10.513 2.767 1.00 0.28 O ATOM 140 CB GLU A 11 -10.158 12.229 2.059 1.00 0.37 C ATOM 141 CG GLU A 11 -10.902 12.442 0.749 1.00 0.41 C ATOM 142 CD GLU A 11 -11.901 13.580 0.823 1.00 1.27 C ATOM 143 OE1 GLU A 11 -13.068 13.323 1.185 1.00 2.27 O ATOM 144 OE2 GLU A 11 -11.515 14.728 0.519 1.00 1.19 O ATOM 0 H GLU A 11 -9.275 11.732 4.321 1.00 0.33 H new ATOM 0 HA GLU A 11 -11.820 12.601 3.378 1.00 0.33 H new ATOM 0 HB2 GLU A 11 -9.629 13.146 2.319 1.00 0.37 H new ATOM 0 HB3 GLU A 11 -9.404 11.455 1.916 1.00 0.37 H new ATOM 0 HG2 GLU A 11 -10.182 12.646 -0.044 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -11.423 11.524 0.478 1.00 0.41 H new ATOM 151 N PHE A 12 -11.052 9.424 2.803 1.00 0.23 N ATOM 152 CA PHE A 12 -11.670 8.139 2.495 1.00 0.22 C ATOM 153 C PHE A 12 -12.331 7.544 3.732 1.00 0.19 C ATOM 154 O PHE A 12 -13.261 6.748 3.621 1.00 0.20 O ATOM 155 CB PHE A 12 -10.660 7.155 1.889 1.00 0.26 C ATOM 156 CG PHE A 12 -9.503 6.808 2.781 1.00 0.25 C ATOM 157 CD1 PHE A 12 -9.675 5.989 3.886 1.00 0.31 C ATOM 158 CD2 PHE A 12 -8.238 7.292 2.503 1.00 0.27 C ATOM 159 CE1 PHE A 12 -8.608 5.665 4.698 1.00 0.37 C ATOM 160 CE2 PHE A 12 -7.167 6.972 3.309 1.00 0.30 C ATOM 161 CZ PHE A 12 -7.353 6.156 4.410 1.00 0.35 C ATOM 0 H PHE A 12 -10.040 9.396 2.924 1.00 0.23 H new ATOM 0 HA PHE A 12 -12.442 8.319 1.747 1.00 0.22 H new ATOM 0 HB2 PHE A 12 -11.184 6.237 1.624 1.00 0.26 H new ATOM 0 HB3 PHE A 12 -10.272 7.579 0.963 1.00 0.26 H new ATOM 0 HD1 PHE A 12 -10.656 5.600 4.114 1.00 0.31 H new ATOM 0 HD2 PHE A 12 -8.087 7.929 1.644 1.00 0.27 H new ATOM 0 HE1 PHE A 12 -8.756 5.028 5.558 1.00 0.37 H new ATOM 0 HE2 PHE A 12 -6.184 7.358 3.081 1.00 0.30 H new ATOM 0 HZ PHE A 12 -6.515 5.904 5.044 1.00 0.35 H new ATOM 171 N LYS A 13 -11.844 7.925 4.911 1.00 0.19 N ATOM 172 CA LYS A 13 -12.425 7.441 6.156 1.00 0.22 C ATOM 173 C LYS A 13 -13.863 7.931 6.255 1.00 0.21 C ATOM 174 O LYS A 13 -14.743 7.229 6.757 1.00 0.23 O ATOM 175 CB LYS A 13 -11.603 7.912 7.362 1.00 0.28 C ATOM 176 CG LYS A 13 -12.340 7.819 8.691 1.00 0.32 C ATOM 177 CD LYS A 13 -12.670 6.379 9.051 1.00 0.33 C ATOM 178 CE LYS A 13 -13.423 6.291 10.368 1.00 0.48 C ATOM 179 NZ LYS A 13 -12.626 6.834 11.502 1.00 1.23 N ATOM 0 H LYS A 13 -11.056 8.562 5.028 1.00 0.19 H new ATOM 0 HA LYS A 13 -12.414 6.351 6.160 1.00 0.22 H new ATOM 0 HB2 LYS A 13 -10.692 7.317 7.422 1.00 0.28 H new ATOM 0 HB3 LYS A 13 -11.299 8.946 7.199 1.00 0.28 H new ATOM 0 HG2 LYS A 13 -11.728 8.260 9.478 1.00 0.32 H new ATOM 0 HG3 LYS A 13 -13.260 8.401 8.639 1.00 0.32 H new ATOM 0 HD2 LYS A 13 -13.270 5.933 8.258 1.00 0.33 H new ATOM 0 HD3 LYS A 13 -11.749 5.800 9.118 1.00 0.33 H new ATOM 0 HE2 LYS A 13 -14.361 6.841 10.287 1.00 0.48 H new ATOM 0 HE3 LYS A 13 -13.680 5.251 10.570 1.00 0.48 H new ATOM 0 HZ1 LYS A 13 -13.080 6.575 12.401 1.00 1.23 H new ATOM 0 HZ2 LYS A 13 -11.665 6.437 11.472 1.00 1.23 H new ATOM 0 HZ3 LYS A 13 -12.575 7.870 11.426 1.00 1.23 H new ATOM 193 N ASP A 14 -14.092 9.148 5.772 1.00 0.23 N ATOM 194 CA ASP A 14 -15.427 9.724 5.761 1.00 0.25 C ATOM 195 C ASP A 14 -16.285 8.956 4.766 1.00 0.22 C ATOM 196 O ASP A 14 -17.375 8.480 5.090 1.00 0.23 O ATOM 197 CB ASP A 14 -15.369 11.202 5.374 1.00 0.31 C ATOM 198 CG ASP A 14 -16.726 11.875 5.457 1.00 0.37 C ATOM 199 OD1 ASP A 14 -17.483 11.808 4.466 1.00 0.41 O ATOM 200 OD2 ASP A 14 -17.030 12.469 6.512 1.00 0.44 O ATOM 0 H ASP A 14 -13.368 9.753 5.383 1.00 0.23 H new ATOM 0 HA ASP A 14 -15.862 9.651 6.758 1.00 0.25 H new ATOM 0 HB2 ASP A 14 -14.669 11.719 6.030 1.00 0.31 H new ATOM 0 HB3 ASP A 14 -14.982 11.294 4.359 1.00 0.31 H new ATOM 205 N ALA A 15 -15.768 8.827 3.547 1.00 0.22 N ATOM 206 CA ALA A 15 -16.461 8.102 2.494 1.00 0.24 C ATOM 207 C ALA A 15 -16.662 6.642 2.891 1.00 0.22 C ATOM 208 O ALA A 15 -17.437 5.920 2.269 1.00 0.29 O ATOM 209 CB ALA A 15 -15.683 8.194 1.189 1.00 0.27 C ATOM 0 H ALA A 15 -14.868 9.218 3.267 1.00 0.22 H new ATOM 0 HA ALA A 15 -17.441 8.557 2.349 1.00 0.24 H new ATOM 0 HB1 ALA A 15 -16.214 7.647 0.410 1.00 0.27 H new ATOM 0 HB2 ALA A 15 -15.586 9.239 0.896 1.00 0.27 H new ATOM 0 HB3 ALA A 15 -14.692 7.762 1.325 1.00 0.27 H new ATOM 215 N PHE A 16 -15.953 6.221 3.936 1.00 0.20 N ATOM 216 CA PHE A 16 -16.036 4.851 4.426 1.00 0.22 C ATOM 217 C PHE A 16 -17.285 4.661 5.277 1.00 0.22 C ATOM 218 O PHE A 16 -18.068 3.742 5.049 1.00 0.25 O ATOM 219 CB PHE A 16 -14.781 4.507 5.236 1.00 0.26 C ATOM 220 CG PHE A 16 -14.875 3.214 5.998 1.00 0.31 C ATOM 221 CD1 PHE A 16 -14.566 2.009 5.386 1.00 0.38 C ATOM 222 CD2 PHE A 16 -15.276 3.203 7.323 1.00 0.37 C ATOM 223 CE1 PHE A 16 -14.654 0.819 6.082 1.00 0.46 C ATOM 224 CE2 PHE A 16 -15.368 2.016 8.024 1.00 0.45 C ATOM 225 CZ PHE A 16 -15.039 0.825 7.412 1.00 0.48 C ATOM 0 H PHE A 16 -15.311 6.815 4.461 1.00 0.20 H new ATOM 0 HA PHE A 16 -16.100 4.178 3.571 1.00 0.22 H new ATOM 0 HB2 PHE A 16 -13.928 4.456 4.559 1.00 0.26 H new ATOM 0 HB3 PHE A 16 -14.582 5.316 5.939 1.00 0.26 H new ATOM 0 HD1 PHE A 16 -14.253 2.001 4.352 1.00 0.38 H new ATOM 0 HD2 PHE A 16 -15.520 4.133 7.814 1.00 0.37 H new ATOM 0 HE1 PHE A 16 -14.423 -0.114 5.590 1.00 0.46 H new ATOM 0 HE2 PHE A 16 -15.698 2.021 9.052 1.00 0.45 H new ATOM 0 HZ PHE A 16 -15.081 -0.100 7.968 1.00 0.48 H new ATOM 235 N VAL A 17 -17.470 5.541 6.255 1.00 0.22 N ATOM 236 CA VAL A 17 -18.630 5.458 7.130 1.00 0.23 C ATOM 237 C VAL A 17 -19.906 5.709 6.340 1.00 0.23 C ATOM 238 O VAL A 17 -21.003 5.356 6.777 1.00 0.26 O ATOM 239 CB VAL A 17 -18.539 6.464 8.295 1.00 0.30 C ATOM 240 CG1 VAL A 17 -17.352 6.140 9.189 1.00 1.11 C ATOM 241 CG2 VAL A 17 -18.448 7.890 7.776 1.00 0.91 C ATOM 0 H VAL A 17 -16.836 6.314 6.460 1.00 0.22 H new ATOM 0 HA VAL A 17 -18.650 4.452 7.550 1.00 0.23 H new ATOM 0 HB VAL A 17 -19.449 6.379 8.888 1.00 0.30 H new ATOM 0 HG11 VAL A 17 -17.304 6.861 10.005 1.00 1.11 H new ATOM 0 HG12 VAL A 17 -17.467 5.136 9.597 1.00 1.11 H new ATOM 0 HG13 VAL A 17 -16.433 6.191 8.606 1.00 1.11 H new ATOM 0 HG21 VAL A 17 -18.385 8.580 8.617 1.00 0.91 H new ATOM 0 HG22 VAL A 17 -17.559 7.995 7.153 1.00 0.91 H new ATOM 0 HG23 VAL A 17 -19.334 8.119 7.185 1.00 0.91 H new ATOM 251 N GLN A 18 -19.748 6.322 5.172 1.00 0.24 N ATOM 252 CA GLN A 18 -20.877 6.619 4.301 1.00 0.29 C ATOM 253 C GLN A 18 -21.570 5.343 3.817 1.00 0.32 C ATOM 254 O GLN A 18 -22.774 5.348 3.560 1.00 0.43 O ATOM 255 CB GLN A 18 -20.410 7.437 3.097 1.00 0.33 C ATOM 256 CG GLN A 18 -20.040 8.870 3.440 1.00 0.34 C ATOM 257 CD GLN A 18 -21.204 9.654 4.011 1.00 1.09 C ATOM 258 OE1 GLN A 18 -21.980 10.262 3.272 1.00 1.54 O ATOM 259 NE2 GLN A 18 -21.327 9.650 5.333 1.00 1.60 N ATOM 0 H GLN A 18 -18.845 6.624 4.806 1.00 0.24 H new ATOM 0 HA GLN A 18 -21.597 7.196 4.881 1.00 0.29 H new ATOM 0 HB2 GLN A 18 -19.547 6.946 2.648 1.00 0.33 H new ATOM 0 HB3 GLN A 18 -21.200 7.445 2.346 1.00 0.33 H new ATOM 0 HG2 GLN A 18 -19.221 8.867 4.160 1.00 0.34 H new ATOM 0 HG3 GLN A 18 -19.675 9.371 2.544 1.00 0.34 H new ATOM 0 HE21 GLN A 18 -20.660 9.132 5.906 1.00 1.60 H new ATOM 0 HE22 GLN A 18 -22.088 10.165 5.776 1.00 1.60 H new ATOM 268 N PHE A 19 -20.811 4.253 3.694 1.00 0.28 N ATOM 269 CA PHE A 19 -21.373 2.987 3.222 1.00 0.33 C ATOM 270 C PHE A 19 -21.538 1.976 4.354 1.00 0.35 C ATOM 271 O PHE A 19 -21.510 0.766 4.120 1.00 0.64 O ATOM 272 CB PHE A 19 -20.498 2.388 2.118 1.00 0.36 C ATOM 273 CG PHE A 19 -20.428 3.240 0.884 1.00 0.37 C ATOM 274 CD1 PHE A 19 -19.469 4.233 0.764 1.00 0.41 C ATOM 275 CD2 PHE A 19 -21.320 3.048 -0.157 1.00 0.48 C ATOM 276 CE1 PHE A 19 -19.401 5.018 -0.371 1.00 0.44 C ATOM 277 CE2 PHE A 19 -21.258 3.829 -1.295 1.00 0.54 C ATOM 278 CZ PHE A 19 -20.298 4.820 -1.400 1.00 0.47 C ATOM 0 H PHE A 19 -19.815 4.221 3.912 1.00 0.28 H new ATOM 0 HA PHE A 19 -22.363 3.207 2.822 1.00 0.33 H new ATOM 0 HB2 PHE A 19 -19.490 2.238 2.505 1.00 0.36 H new ATOM 0 HB3 PHE A 19 -20.886 1.405 1.850 1.00 0.36 H new ATOM 0 HD1 PHE A 19 -18.766 4.395 1.568 1.00 0.41 H new ATOM 0 HD2 PHE A 19 -22.074 2.278 -0.079 1.00 0.48 H new ATOM 0 HE1 PHE A 19 -18.646 5.786 -0.452 1.00 0.44 H new ATOM 0 HE2 PHE A 19 -21.958 3.666 -2.101 1.00 0.54 H new ATOM 0 HZ PHE A 19 -20.251 5.437 -2.285 1.00 0.47 H new ATOM 288 N ASP A 20 -21.710 2.465 5.577 1.00 0.29 N ATOM 289 CA ASP A 20 -21.894 1.583 6.725 1.00 0.28 C ATOM 290 C ASP A 20 -23.295 1.742 7.304 1.00 0.37 C ATOM 291 O ASP A 20 -23.515 2.530 8.225 1.00 0.44 O ATOM 292 CB ASP A 20 -20.842 1.858 7.801 1.00 0.25 C ATOM 293 CG ASP A 20 -21.010 0.956 9.010 1.00 0.27 C ATOM 294 OD1 ASP A 20 -21.043 -0.281 8.829 1.00 0.29 O ATOM 295 OD2 ASP A 20 -21.107 1.486 10.136 1.00 0.33 O ATOM 0 H ASP A 20 -21.726 3.460 5.799 1.00 0.29 H new ATOM 0 HA ASP A 20 -21.772 0.556 6.382 1.00 0.28 H new ATOM 0 HB2 ASP A 20 -19.847 1.716 7.379 1.00 0.25 H new ATOM 0 HB3 ASP A 20 -20.909 2.900 8.115 1.00 0.25 H new ATOM 300 N LYS A 21 -24.241 0.988 6.752 1.00 0.47 N ATOM 301 CA LYS A 21 -25.628 1.043 7.200 1.00 0.59 C ATOM 302 C LYS A 21 -25.924 -0.041 8.233 1.00 0.64 C ATOM 303 O LYS A 21 -26.664 0.188 9.190 1.00 0.83 O ATOM 304 CB LYS A 21 -26.570 0.886 6.007 1.00 0.68 C ATOM 305 CG LYS A 21 -26.429 1.989 4.970 1.00 1.02 C ATOM 306 CD LYS A 21 -27.171 3.253 5.382 1.00 1.14 C ATOM 307 CE LYS A 21 -26.290 4.177 6.208 1.00 1.67 C ATOM 308 NZ LYS A 21 -25.041 4.543 5.484 1.00 2.10 N ATOM 0 H LYS A 21 -24.071 0.330 5.991 1.00 0.47 H new ATOM 0 HA LYS A 21 -25.788 2.014 7.669 1.00 0.59 H new ATOM 0 HB2 LYS A 21 -26.381 -0.076 5.530 1.00 0.68 H new ATOM 0 HB3 LYS A 21 -27.599 0.867 6.367 1.00 0.68 H new ATOM 0 HG2 LYS A 21 -25.373 2.219 4.825 1.00 1.02 H new ATOM 0 HG3 LYS A 21 -26.813 1.638 4.012 1.00 1.02 H new ATOM 0 HD2 LYS A 21 -27.517 3.779 4.492 1.00 1.14 H new ATOM 0 HD3 LYS A 21 -28.057 2.984 5.957 1.00 1.14 H new ATOM 0 HE2 LYS A 21 -26.845 5.082 6.457 1.00 1.67 H new ATOM 0 HE3 LYS A 21 -26.035 3.691 7.150 1.00 1.67 H new ATOM 0 HZ1 LYS A 21 -24.888 5.569 5.553 1.00 2.10 H new ATOM 0 HZ2 LYS A 21 -24.234 4.043 5.909 1.00 2.10 H new ATOM 0 HZ3 LYS A 21 -25.128 4.272 4.484 1.00 2.10 H new ATOM 322 N GLU A 22 -25.342 -1.221 8.033 1.00 0.58 N ATOM 323 CA GLU A 22 -25.549 -2.345 8.941 1.00 0.63 C ATOM 324 C GLU A 22 -25.164 -1.985 10.372 1.00 0.60 C ATOM 325 O GLU A 22 -25.658 -2.586 11.327 1.00 0.80 O ATOM 326 CB GLU A 22 -24.749 -3.560 8.469 1.00 0.62 C ATOM 327 CG GLU A 22 -25.137 -4.039 7.079 1.00 0.71 C ATOM 328 CD GLU A 22 -24.309 -5.221 6.615 1.00 0.98 C ATOM 329 OE1 GLU A 22 -24.556 -6.345 7.100 1.00 0.96 O ATOM 330 OE2 GLU A 22 -23.414 -5.022 5.768 1.00 1.80 O ATOM 0 H GLU A 22 -24.722 -1.423 7.249 1.00 0.58 H new ATOM 0 HA GLU A 22 -26.611 -2.590 8.932 1.00 0.63 H new ATOM 0 HB2 GLU A 22 -23.688 -3.311 8.476 1.00 0.62 H new ATOM 0 HB3 GLU A 22 -24.890 -4.376 9.178 1.00 0.62 H new ATOM 0 HG2 GLU A 22 -26.191 -4.316 7.076 1.00 0.71 H new ATOM 0 HG3 GLU A 22 -25.020 -3.219 6.371 1.00 0.71 H new ATOM 337 N GLY A 23 -24.279 -1.003 10.516 1.00 0.45 N ATOM 338 CA GLY A 23 -23.850 -0.576 11.837 1.00 0.46 C ATOM 339 C GLY A 23 -22.677 -1.379 12.364 1.00 0.39 C ATOM 340 O GLY A 23 -22.222 -1.157 13.486 1.00 0.45 O ATOM 0 H GLY A 23 -23.851 -0.495 9.742 1.00 0.45 H new ATOM 0 HA2 GLY A 23 -23.575 0.478 11.801 1.00 0.46 H new ATOM 0 HA3 GLY A 23 -24.686 -0.664 12.531 1.00 0.46 H new ATOM 344 N THR A 24 -22.185 -2.312 11.556 1.00 0.34 N ATOM 345 CA THR A 24 -21.056 -3.149 11.950 1.00 0.30 C ATOM 346 C THR A 24 -19.731 -2.432 11.718 1.00 0.28 C ATOM 347 O THR A 24 -18.670 -3.058 11.712 1.00 0.29 O ATOM 348 CB THR A 24 -21.048 -4.483 11.175 1.00 0.32 C ATOM 349 OG1 THR A 24 -21.169 -4.233 9.770 1.00 0.33 O ATOM 350 CG2 THR A 24 -22.184 -5.383 11.635 1.00 0.40 C ATOM 0 H THR A 24 -22.550 -2.508 10.624 1.00 0.34 H new ATOM 0 HA THR A 24 -21.172 -3.355 13.014 1.00 0.30 H new ATOM 0 HB THR A 24 -20.103 -4.988 11.374 1.00 0.32 H new ATOM 0 HG21 THR A 24 -22.158 -6.317 11.074 1.00 0.40 H new ATOM 0 HG22 THR A 24 -22.073 -5.595 12.698 1.00 0.40 H new ATOM 0 HG23 THR A 24 -23.137 -4.883 11.462 1.00 0.40 H new ATOM 358 N GLY A 25 -19.796 -1.115 11.534 1.00 0.30 N ATOM 359 CA GLY A 25 -18.592 -0.339 11.295 1.00 0.32 C ATOM 360 C GLY A 25 -17.802 -0.876 10.121 1.00 0.28 C ATOM 361 O GLY A 25 -16.588 -0.689 10.036 1.00 0.33 O ATOM 0 H GLY A 25 -20.660 -0.573 11.546 1.00 0.30 H new ATOM 0 HA2 GLY A 25 -18.861 0.701 11.107 1.00 0.32 H new ATOM 0 HA3 GLY A 25 -17.968 -0.351 12.189 1.00 0.32 H new ATOM 365 N LYS A 26 -18.502 -1.545 9.212 1.00 0.22 N ATOM 366 CA LYS A 26 -17.881 -2.132 8.035 1.00 0.19 C ATOM 367 C LYS A 26 -18.665 -1.788 6.772 1.00 0.20 C ATOM 368 O LYS A 26 -19.855 -1.483 6.832 1.00 0.23 O ATOM 369 CB LYS A 26 -17.780 -3.650 8.196 1.00 0.20 C ATOM 370 CG LYS A 26 -16.718 -4.084 9.193 1.00 0.25 C ATOM 371 CD LYS A 26 -16.349 -5.550 9.016 1.00 0.62 C ATOM 372 CE LYS A 26 -17.528 -6.465 9.288 1.00 0.62 C ATOM 373 NZ LYS A 26 -17.988 -6.380 10.702 1.00 1.10 N ATOM 0 H LYS A 26 -19.509 -1.694 9.271 1.00 0.22 H new ATOM 0 HA LYS A 26 -16.879 -1.716 7.936 1.00 0.19 H new ATOM 0 HB2 LYS A 26 -18.747 -4.039 8.515 1.00 0.20 H new ATOM 0 HB3 LYS A 26 -17.561 -4.097 7.226 1.00 0.20 H new ATOM 0 HG2 LYS A 26 -15.828 -3.467 9.069 1.00 0.25 H new ATOM 0 HG3 LYS A 26 -17.082 -3.920 10.207 1.00 0.25 H new ATOM 0 HD2 LYS A 26 -15.989 -5.714 8.000 1.00 0.62 H new ATOM 0 HD3 LYS A 26 -15.530 -5.802 9.690 1.00 0.62 H new ATOM 0 HE2 LYS A 26 -18.351 -6.203 8.623 1.00 0.62 H new ATOM 0 HE3 LYS A 26 -17.249 -7.493 9.059 1.00 0.62 H new ATOM 0 HZ1 LYS A 26 -18.865 -6.928 10.815 1.00 1.10 H new ATOM 0 HZ2 LYS A 26 -17.254 -6.767 11.330 1.00 1.10 H new ATOM 0 HZ3 LYS A 26 -18.167 -5.386 10.950 1.00 1.10 H new ATOM 387 N ILE A 27 -17.989 -1.833 5.627 1.00 0.22 N ATOM 388 CA ILE A 27 -18.624 -1.523 4.349 1.00 0.26 C ATOM 389 C ILE A 27 -18.682 -2.753 3.444 1.00 0.24 C ATOM 390 O ILE A 27 -17.665 -3.390 3.175 1.00 0.25 O ATOM 391 CB ILE A 27 -17.874 -0.395 3.618 1.00 0.34 C ATOM 392 CG1 ILE A 27 -16.395 -0.760 3.471 1.00 0.40 C ATOM 393 CG2 ILE A 27 -18.034 0.917 4.371 1.00 0.33 C ATOM 394 CD1 ILE A 27 -15.597 0.232 2.657 1.00 0.50 C ATOM 0 H ILE A 27 -17.002 -2.081 5.558 1.00 0.22 H new ATOM 0 HA ILE A 27 -19.640 -1.196 4.570 1.00 0.26 H new ATOM 0 HB ILE A 27 -18.300 -0.271 2.622 1.00 0.34 H new ATOM 0 HG12 ILE A 27 -15.951 -0.842 4.463 1.00 0.40 H new ATOM 0 HG13 ILE A 27 -16.318 -1.743 3.005 1.00 0.40 H new ATOM 0 HG21 ILE A 27 -17.499 1.707 3.844 1.00 0.33 H new ATOM 0 HG22 ILE A 27 -19.091 1.174 4.433 1.00 0.33 H new ATOM 0 HG23 ILE A 27 -17.627 0.811 5.376 1.00 0.33 H new ATOM 0 HD11 ILE A 27 -14.559 -0.096 2.599 1.00 0.50 H new ATOM 0 HD12 ILE A 27 -16.014 0.297 1.652 1.00 0.50 H new ATOM 0 HD13 ILE A 27 -15.641 1.212 3.132 1.00 0.50 H new ATOM 406 N ALA A 28 -19.886 -3.088 2.990 1.00 0.26 N ATOM 407 CA ALA A 28 -20.086 -4.237 2.112 1.00 0.26 C ATOM 408 C ALA A 28 -19.137 -4.198 0.919 1.00 0.23 C ATOM 409 O ALA A 28 -18.869 -3.135 0.359 1.00 0.25 O ATOM 410 CB ALA A 28 -21.529 -4.288 1.635 1.00 0.30 C ATOM 0 H ALA A 28 -20.740 -2.579 3.216 1.00 0.26 H new ATOM 0 HA ALA A 28 -19.867 -5.138 2.684 1.00 0.26 H new ATOM 0 HB1 ALA A 28 -21.666 -5.149 0.981 1.00 0.30 H new ATOM 0 HB2 ALA A 28 -22.193 -4.376 2.495 1.00 0.30 H new ATOM 0 HB3 ALA A 28 -21.764 -3.375 1.087 1.00 0.30 H new ATOM 416 N THR A 29 -18.631 -5.369 0.539 1.00 0.27 N ATOM 417 CA THR A 29 -17.707 -5.483 -0.584 1.00 0.30 C ATOM 418 C THR A 29 -18.388 -5.124 -1.901 1.00 0.29 C ATOM 419 O THR A 29 -17.726 -4.955 -2.925 1.00 0.39 O ATOM 420 CB THR A 29 -17.125 -6.906 -0.689 1.00 0.37 C ATOM 421 OG1 THR A 29 -16.230 -6.988 -1.806 1.00 1.03 O ATOM 422 CG2 THR A 29 -18.234 -7.936 -0.847 1.00 0.96 C ATOM 0 H THR A 29 -18.847 -6.255 0.995 1.00 0.27 H new ATOM 0 HA THR A 29 -16.896 -4.779 -0.397 1.00 0.30 H new ATOM 0 HB THR A 29 -16.581 -7.120 0.231 1.00 0.37 H new ATOM 0 HG1 THR A 29 -16.471 -6.308 -2.469 1.00 1.03 H new ATOM 0 HG21 THR A 29 -17.798 -8.932 -0.919 1.00 0.96 H new ATOM 0 HG22 THR A 29 -18.897 -7.892 0.017 1.00 0.96 H new ATOM 0 HG23 THR A 29 -18.802 -7.723 -1.752 1.00 0.96 H new ATOM 430 N ARG A 30 -19.713 -5.014 -1.869 1.00 0.25 N ATOM 431 CA ARG A 30 -20.480 -4.671 -3.060 1.00 0.29 C ATOM 432 C ARG A 30 -20.654 -3.160 -3.166 1.00 0.28 C ATOM 433 O ARG A 30 -21.356 -2.663 -4.048 1.00 0.44 O ATOM 434 CB ARG A 30 -21.854 -5.350 -3.036 1.00 0.35 C ATOM 435 CG ARG A 30 -21.792 -6.858 -2.840 1.00 0.43 C ATOM 436 CD ARG A 30 -21.684 -7.225 -1.369 1.00 0.83 C ATOM 437 NE ARG A 30 -21.651 -8.670 -1.165 1.00 1.56 N ATOM 438 CZ ARG A 30 -21.749 -9.248 0.029 1.00 2.17 C ATOM 439 NH1 ARG A 30 -21.887 -8.507 1.119 1.00 2.25 N ATOM 440 NH2 ARG A 30 -21.709 -10.569 0.132 1.00 3.08 N ATOM 0 H ARG A 30 -20.277 -5.158 -1.031 1.00 0.25 H new ATOM 0 HA ARG A 30 -19.928 -5.027 -3.930 1.00 0.29 H new ATOM 0 HB2 ARG A 30 -22.450 -4.913 -2.235 1.00 0.35 H new ATOM 0 HB3 ARG A 30 -22.371 -5.136 -3.971 1.00 0.35 H new ATOM 0 HG2 ARG A 30 -22.683 -7.318 -3.266 1.00 0.43 H new ATOM 0 HG3 ARG A 30 -20.936 -7.261 -3.380 1.00 0.43 H new ATOM 0 HD2 ARG A 30 -20.782 -6.779 -0.950 1.00 0.83 H new ATOM 0 HD3 ARG A 30 -22.530 -6.802 -0.827 1.00 0.83 H new ATOM 0 HE ARG A 30 -21.547 -9.270 -1.983 1.00 1.56 H new ATOM 0 HH11 ARG A 30 -21.918 -7.490 1.044 1.00 2.25 H new ATOM 0 HH12 ARG A 30 -21.962 -8.953 2.033 1.00 2.25 H new ATOM 0 HH21 ARG A 30 -21.603 -11.143 -0.705 1.00 3.08 H new ATOM 0 HH22 ARG A 30 -21.784 -11.012 1.048 1.00 3.08 H new ATOM 454 N GLU A 31 -20.010 -2.436 -2.257 1.00 0.22 N ATOM 455 CA GLU A 31 -20.090 -0.981 -2.236 1.00 0.23 C ATOM 456 C GLU A 31 -18.706 -0.361 -2.386 1.00 0.21 C ATOM 457 O GLU A 31 -18.577 0.851 -2.560 1.00 0.21 O ATOM 458 CB GLU A 31 -20.737 -0.506 -0.933 1.00 0.30 C ATOM 459 CG GLU A 31 -22.161 -1.004 -0.747 1.00 0.32 C ATOM 460 CD GLU A 31 -22.776 -0.541 0.559 1.00 1.30 C ATOM 461 OE1 GLU A 31 -22.536 -1.198 1.594 1.00 2.26 O ATOM 462 OE2 GLU A 31 -23.497 0.479 0.547 1.00 1.40 O ATOM 0 H GLU A 31 -19.425 -2.835 -1.523 1.00 0.22 H new ATOM 0 HA GLU A 31 -20.705 -0.661 -3.077 1.00 0.23 H new ATOM 0 HB2 GLU A 31 -20.130 -0.842 -0.092 1.00 0.30 H new ATOM 0 HB3 GLU A 31 -20.736 0.584 -0.912 1.00 0.30 H new ATOM 0 HG2 GLU A 31 -22.775 -0.655 -1.577 1.00 0.32 H new ATOM 0 HG3 GLU A 31 -22.168 -2.093 -0.781 1.00 0.32 H new ATOM 469 N LEU A 32 -17.673 -1.198 -2.312 1.00 0.21 N ATOM 470 CA LEU A 32 -16.300 -0.723 -2.448 1.00 0.24 C ATOM 471 C LEU A 32 -16.132 0.083 -3.731 1.00 0.23 C ATOM 472 O LEU A 32 -15.632 1.205 -3.702 1.00 0.25 O ATOM 473 CB LEU A 32 -15.313 -1.894 -2.429 1.00 0.29 C ATOM 474 CG LEU A 32 -13.846 -1.508 -2.665 1.00 0.44 C ATOM 475 CD1 LEU A 32 -12.913 -2.428 -1.896 1.00 1.04 C ATOM 476 CD2 LEU A 32 -13.515 -1.548 -4.148 1.00 1.37 C ATOM 0 H LEU A 32 -17.761 -2.203 -2.159 1.00 0.21 H new ATOM 0 HA LEU A 32 -16.085 -0.075 -1.598 1.00 0.24 H new ATOM 0 HB2 LEU A 32 -15.390 -2.399 -1.466 1.00 0.29 H new ATOM 0 HB3 LEU A 32 -15.611 -2.614 -3.191 1.00 0.29 H new ATOM 0 HG LEU A 32 -13.703 -0.490 -2.301 1.00 0.44 H new ATOM 0 HD11 LEU A 32 -11.880 -2.134 -2.080 1.00 1.04 H new ATOM 0 HD12 LEU A 32 -13.127 -2.355 -0.830 1.00 1.04 H new ATOM 0 HD13 LEU A 32 -13.062 -3.456 -2.226 1.00 1.04 H new ATOM 0 HD21 LEU A 32 -12.471 -1.271 -4.295 1.00 1.37 H new ATOM 0 HD22 LEU A 32 -13.681 -2.555 -4.531 1.00 1.37 H new ATOM 0 HD23 LEU A 32 -14.155 -0.846 -4.683 1.00 1.37 H new ATOM 488 N GLY A 33 -16.539 -0.498 -4.857 1.00 0.25 N ATOM 489 CA GLY A 33 -16.427 0.198 -6.125 1.00 0.28 C ATOM 490 C GLY A 33 -17.099 1.553 -6.078 1.00 0.27 C ATOM 491 O GLY A 33 -16.520 2.556 -6.495 1.00 0.32 O ATOM 0 H GLY A 33 -16.942 -1.433 -4.913 1.00 0.25 H new ATOM 0 HA2 GLY A 33 -15.375 0.322 -6.381 1.00 0.28 H new ATOM 0 HA3 GLY A 33 -16.878 -0.405 -6.913 1.00 0.28 H new ATOM 495 N THR A 34 -18.327 1.578 -5.568 1.00 0.23 N ATOM 496 CA THR A 34 -19.071 2.819 -5.440 1.00 0.24 C ATOM 497 C THR A 34 -18.288 3.798 -4.579 1.00 0.22 C ATOM 498 O THR A 34 -18.389 5.015 -4.737 1.00 0.23 O ATOM 499 CB THR A 34 -20.453 2.580 -4.804 1.00 0.26 C ATOM 500 OG1 THR A 34 -21.152 1.556 -5.521 1.00 0.31 O ATOM 501 CG2 THR A 34 -21.279 3.857 -4.807 1.00 0.29 C ATOM 0 H THR A 34 -18.825 0.751 -5.238 1.00 0.23 H new ATOM 0 HA THR A 34 -19.216 3.229 -6.439 1.00 0.24 H new ATOM 0 HB THR A 34 -20.302 2.264 -3.772 1.00 0.26 H new ATOM 0 HG1 THR A 34 -22.029 1.409 -5.109 1.00 0.31 H new ATOM 0 HG21 THR A 34 -22.251 3.663 -4.353 1.00 0.29 H new ATOM 0 HG22 THR A 34 -20.760 4.628 -4.237 1.00 0.29 H new ATOM 0 HG23 THR A 34 -21.420 4.197 -5.833 1.00 0.29 H new ATOM 509 N LEU A 35 -17.499 3.241 -3.664 1.00 0.22 N ATOM 510 CA LEU A 35 -16.672 4.033 -2.767 1.00 0.24 C ATOM 511 C LEU A 35 -15.499 4.633 -3.536 1.00 0.25 C ATOM 512 O LEU A 35 -15.058 5.746 -3.257 1.00 0.29 O ATOM 513 CB LEU A 35 -16.153 3.152 -1.627 1.00 0.29 C ATOM 514 CG LEU A 35 -15.938 3.840 -0.284 1.00 0.42 C ATOM 515 CD1 LEU A 35 -15.392 2.848 0.727 1.00 1.24 C ATOM 516 CD2 LEU A 35 -15.001 5.032 -0.416 1.00 1.16 C ATOM 0 H LEU A 35 -17.417 2.234 -3.526 1.00 0.22 H new ATOM 0 HA LEU A 35 -17.272 4.841 -2.348 1.00 0.24 H new ATOM 0 HB2 LEU A 35 -16.856 2.331 -1.482 1.00 0.29 H new ATOM 0 HB3 LEU A 35 -15.207 2.710 -1.940 1.00 0.29 H new ATOM 0 HG LEU A 35 -16.902 4.212 0.065 1.00 0.42 H new ATOM 0 HD11 LEU A 35 -15.242 3.349 1.683 1.00 1.24 H new ATOM 0 HD12 LEU A 35 -16.101 2.030 0.853 1.00 1.24 H new ATOM 0 HD13 LEU A 35 -14.441 2.452 0.371 1.00 1.24 H new ATOM 0 HD21 LEU A 35 -14.869 5.500 0.559 1.00 1.16 H new ATOM 0 HD22 LEU A 35 -14.035 4.695 -0.791 1.00 1.16 H new ATOM 0 HD23 LEU A 35 -15.428 5.755 -1.111 1.00 1.16 H new ATOM 528 N MET A 36 -14.994 3.881 -4.505 1.00 0.28 N ATOM 529 CA MET A 36 -13.875 4.335 -5.317 1.00 0.32 C ATOM 530 C MET A 36 -14.350 5.349 -6.353 1.00 0.30 C ATOM 531 O MET A 36 -13.549 6.084 -6.930 1.00 0.40 O ATOM 532 CB MET A 36 -13.198 3.141 -5.997 1.00 0.45 C ATOM 533 CG MET A 36 -13.067 1.927 -5.088 1.00 0.51 C ATOM 534 SD MET A 36 -11.651 0.887 -5.494 1.00 1.10 S ATOM 535 CE MET A 36 -10.338 1.737 -4.619 1.00 0.69 C ATOM 0 H MET A 36 -15.342 2.953 -4.747 1.00 0.28 H new ATOM 0 HA MET A 36 -13.145 4.823 -4.671 1.00 0.32 H new ATOM 0 HB2 MET A 36 -13.770 2.864 -6.883 1.00 0.45 H new ATOM 0 HB3 MET A 36 -12.207 3.440 -6.338 1.00 0.45 H new ATOM 0 HG2 MET A 36 -12.979 2.262 -4.055 1.00 0.51 H new ATOM 0 HG3 MET A 36 -13.978 1.332 -5.154 1.00 0.51 H new ATOM 0 HE1 MET A 36 -9.373 1.345 -4.941 1.00 0.69 H new ATOM 0 HE2 MET A 36 -10.387 2.804 -4.836 1.00 0.69 H new ATOM 0 HE3 MET A 36 -10.454 1.579 -3.547 1.00 0.69 H new ATOM 545 N ARG A 37 -15.661 5.379 -6.581 1.00 0.30 N ATOM 546 CA ARG A 37 -16.252 6.314 -7.531 1.00 0.34 C ATOM 547 C ARG A 37 -16.413 7.689 -6.890 1.00 0.33 C ATOM 548 O ARG A 37 -16.146 8.714 -7.518 1.00 0.43 O ATOM 549 CB ARG A 37 -17.609 5.800 -8.020 1.00 0.44 C ATOM 550 CG ARG A 37 -17.515 4.533 -8.853 1.00 0.64 C ATOM 551 CD ARG A 37 -18.894 4.025 -9.248 1.00 0.70 C ATOM 552 NE ARG A 37 -18.819 2.828 -10.082 1.00 1.40 N ATOM 553 CZ ARG A 37 -19.883 2.130 -10.469 1.00 1.73 C ATOM 554 NH1 ARG A 37 -21.101 2.503 -10.093 1.00 1.52 N ATOM 555 NH2 ARG A 37 -19.731 1.058 -11.233 1.00 2.69 N ATOM 0 H ARG A 37 -16.333 4.766 -6.120 1.00 0.30 H new ATOM 0 HA ARG A 37 -15.584 6.400 -8.388 1.00 0.34 H new ATOM 0 HB2 ARG A 37 -18.249 5.611 -7.158 1.00 0.44 H new ATOM 0 HB3 ARG A 37 -18.092 6.578 -8.611 1.00 0.44 H new ATOM 0 HG2 ARG A 37 -16.927 4.728 -9.750 1.00 0.64 H new ATOM 0 HG3 ARG A 37 -16.990 3.763 -8.288 1.00 0.64 H new ATOM 0 HD2 ARG A 37 -19.470 3.805 -8.349 1.00 0.70 H new ATOM 0 HD3 ARG A 37 -19.428 4.808 -9.786 1.00 0.70 H new ATOM 0 HE ARG A 37 -17.899 2.509 -10.385 1.00 1.40 H new ATOM 0 HH11 ARG A 37 -21.223 3.328 -9.505 1.00 1.52 H new ATOM 0 HH12 ARG A 37 -21.914 1.965 -10.392 1.00 1.52 H new ATOM 0 HH21 ARG A 37 -18.798 0.768 -11.525 1.00 2.69 H new ATOM 0 HH22 ARG A 37 -20.547 0.523 -11.529 1.00 2.69 H new ATOM 569 N THR A 38 -16.852 7.699 -5.633 1.00 0.31 N ATOM 570 CA THR A 38 -17.043 8.943 -4.895 1.00 0.39 C ATOM 571 C THR A 38 -15.705 9.623 -4.626 1.00 0.36 C ATOM 572 O THR A 38 -15.655 10.785 -4.222 1.00 0.43 O ATOM 573 CB THR A 38 -17.786 8.719 -3.561 1.00 0.50 C ATOM 574 OG1 THR A 38 -18.036 9.976 -2.922 1.00 1.06 O ATOM 575 CG2 THR A 38 -16.985 7.826 -2.628 1.00 0.61 C ATOM 0 H THR A 38 -17.082 6.857 -5.105 1.00 0.31 H new ATOM 0 HA THR A 38 -17.659 9.588 -5.521 1.00 0.39 H new ATOM 0 HB THR A 38 -18.732 8.225 -3.783 1.00 0.50 H new ATOM 0 HG1 THR A 38 -17.425 10.653 -3.281 1.00 1.06 H new ATOM 0 HG21 THR A 38 -17.534 7.687 -1.697 1.00 0.61 H new ATOM 0 HG22 THR A 38 -16.822 6.858 -3.102 1.00 0.61 H new ATOM 0 HG23 THR A 38 -16.023 8.292 -2.415 1.00 0.61 H new ATOM 583 N LEU A 39 -14.622 8.886 -4.855 1.00 0.30 N ATOM 584 CA LEU A 39 -13.276 9.406 -4.642 1.00 0.33 C ATOM 585 C LEU A 39 -12.552 9.552 -5.977 1.00 0.33 C ATOM 586 O LEU A 39 -12.882 8.874 -6.950 1.00 0.31 O ATOM 587 CB LEU A 39 -12.483 8.469 -3.726 1.00 0.38 C ATOM 588 CG LEU A 39 -13.189 8.059 -2.431 1.00 0.64 C ATOM 589 CD1 LEU A 39 -12.412 6.955 -1.733 1.00 1.26 C ATOM 590 CD2 LEU A 39 -13.356 9.255 -1.506 1.00 1.07 C ATOM 0 H LEU A 39 -14.651 7.923 -5.189 1.00 0.30 H new ATOM 0 HA LEU A 39 -13.354 10.384 -4.168 1.00 0.33 H new ATOM 0 HB2 LEU A 39 -12.235 7.567 -4.285 1.00 0.38 H new ATOM 0 HB3 LEU A 39 -11.541 8.953 -3.468 1.00 0.38 H new ATOM 0 HG LEU A 39 -14.180 7.683 -2.685 1.00 0.64 H new ATOM 0 HD11 LEU A 39 -12.926 6.674 -0.814 1.00 1.26 H new ATOM 0 HD12 LEU A 39 -12.342 6.088 -2.390 1.00 1.26 H new ATOM 0 HD13 LEU A 39 -11.410 7.311 -1.494 1.00 1.26 H new ATOM 0 HD21 LEU A 39 -13.860 8.941 -0.592 1.00 1.07 H new ATOM 0 HD22 LEU A 39 -12.376 9.663 -1.258 1.00 1.07 H new ATOM 0 HD23 LEU A 39 -13.952 10.020 -2.004 1.00 1.07 H new ATOM 602 N GLY A 40 -11.566 10.444 -6.017 1.00 0.42 N ATOM 603 CA GLY A 40 -10.821 10.675 -7.241 1.00 0.47 C ATOM 604 C GLY A 40 -9.878 9.540 -7.598 1.00 0.43 C ATOM 605 O GLY A 40 -8.972 9.717 -8.412 1.00 0.69 O ATOM 0 H GLY A 40 -11.270 11.011 -5.223 1.00 0.42 H new ATOM 0 HA2 GLY A 40 -11.523 10.826 -8.061 1.00 0.47 H new ATOM 0 HA3 GLY A 40 -10.247 11.596 -7.139 1.00 0.47 H new ATOM 609 N GLN A 41 -10.086 8.376 -6.991 1.00 0.44 N ATOM 610 CA GLN A 41 -9.248 7.215 -7.263 1.00 0.40 C ATOM 611 C GLN A 41 -9.467 6.706 -8.683 1.00 0.51 C ATOM 612 O GLN A 41 -8.552 6.717 -9.507 1.00 1.45 O ATOM 613 CB GLN A 41 -9.551 6.099 -6.264 1.00 0.48 C ATOM 614 CG GLN A 41 -9.271 6.479 -4.822 1.00 0.74 C ATOM 615 CD GLN A 41 -7.818 6.844 -4.585 1.00 1.06 C ATOM 616 OE1 GLN A 41 -7.579 7.734 -3.630 1.00 1.97 O flip ATOM 617 NE2 GLN A 41 -6.920 6.333 -5.255 1.00 1.30 N flip ATOM 0 H GLN A 41 -10.826 8.212 -6.309 1.00 0.44 H new ATOM 0 HA GLN A 41 -8.206 7.519 -7.159 1.00 0.40 H new ATOM 0 HB2 GLN A 41 -10.599 5.813 -6.358 1.00 0.48 H new ATOM 0 HB3 GLN A 41 -8.957 5.222 -6.521 1.00 0.48 H new ATOM 0 HG2 GLN A 41 -9.903 7.322 -4.543 1.00 0.74 H new ATOM 0 HG3 GLN A 41 -9.543 5.648 -4.172 1.00 0.74 H new ATOM 0 HE21 GLN A 41 -7.149 5.653 -5.980 1.00 1.30 H new ATOM 0 HE22 GLN A 41 -5.948 6.590 -5.085 1.00 1.30 H new ATOM 626 N ASN A 42 -10.689 6.260 -8.959 1.00 0.74 N ATOM 627 CA ASN A 42 -11.045 5.737 -10.273 1.00 0.68 C ATOM 628 C ASN A 42 -10.112 4.599 -10.682 1.00 0.53 C ATOM 629 O ASN A 42 -9.283 4.757 -11.579 1.00 0.62 O ATOM 630 CB ASN A 42 -11.007 6.838 -11.328 1.00 0.85 C ATOM 631 CG ASN A 42 -11.918 8.002 -10.991 1.00 1.87 C ATOM 632 OD1 ASN A 42 -12.952 7.831 -10.347 1.00 2.57 O ATOM 633 ND2 ASN A 42 -11.534 9.196 -11.429 1.00 2.66 N ATOM 0 H ASN A 42 -11.454 6.251 -8.284 1.00 0.74 H new ATOM 0 HA ASN A 42 -12.062 5.350 -10.205 1.00 0.68 H new ATOM 0 HB2 ASN A 42 -9.984 7.201 -11.432 1.00 0.85 H new ATOM 0 HB3 ASN A 42 -11.298 6.422 -12.293 1.00 0.85 H new ATOM 0 HD21 ASN A 42 -12.105 10.018 -11.235 1.00 2.66 H new ATOM 0 HD22 ASN A 42 -10.668 9.290 -11.960 1.00 2.66 H new ATOM 640 N PRO A 43 -10.236 3.437 -10.024 1.00 0.41 N ATOM 641 CA PRO A 43 -9.409 2.261 -10.321 1.00 0.40 C ATOM 642 C PRO A 43 -9.717 1.668 -11.692 1.00 0.39 C ATOM 643 O PRO A 43 -10.404 2.284 -12.506 1.00 0.51 O ATOM 644 CB PRO A 43 -9.806 1.272 -9.224 1.00 0.44 C ATOM 645 CG PRO A 43 -11.190 1.677 -8.856 1.00 0.45 C ATOM 646 CD PRO A 43 -11.190 3.172 -8.932 1.00 0.44 C ATOM 0 HA PRO A 43 -8.347 2.504 -10.342 1.00 0.40 H new ATOM 0 HB2 PRO A 43 -9.774 0.243 -9.583 1.00 0.44 H new ATOM 0 HB3 PRO A 43 -9.132 1.332 -8.369 1.00 0.44 H new ATOM 0 HG2 PRO A 43 -11.922 1.247 -9.540 1.00 0.45 H new ATOM 0 HG3 PRO A 43 -11.449 1.333 -7.855 1.00 0.45 H new ATOM 0 HD2 PRO A 43 -12.181 3.567 -9.155 1.00 0.44 H new ATOM 0 HD3 PRO A 43 -10.869 3.626 -7.994 1.00 0.44 H new ATOM 654 N THR A 44 -9.203 0.468 -11.937 1.00 0.35 N ATOM 655 CA THR A 44 -9.430 -0.216 -13.201 1.00 0.36 C ATOM 656 C THR A 44 -10.528 -1.265 -13.051 1.00 0.32 C ATOM 657 O THR A 44 -10.643 -1.901 -12.004 1.00 0.33 O ATOM 658 CB THR A 44 -8.147 -0.895 -13.717 1.00 0.43 C ATOM 659 OG1 THR A 44 -7.084 0.062 -13.794 1.00 0.73 O ATOM 660 CG2 THR A 44 -8.374 -1.515 -15.088 1.00 0.69 C ATOM 0 H THR A 44 -8.626 -0.050 -11.275 1.00 0.35 H new ATOM 0 HA THR A 44 -9.738 0.538 -13.925 1.00 0.36 H new ATOM 0 HB THR A 44 -7.876 -1.686 -13.018 1.00 0.43 H new ATOM 0 HG1 THR A 44 -6.271 -0.377 -14.121 1.00 0.73 H new ATOM 0 HG21 THR A 44 -7.454 -1.988 -15.430 1.00 0.69 H new ATOM 0 HG22 THR A 44 -9.164 -2.263 -15.023 1.00 0.69 H new ATOM 0 HG23 THR A 44 -8.667 -0.738 -15.794 1.00 0.69 H new ATOM 668 N GLU A 45 -11.335 -1.436 -14.093 1.00 0.32 N ATOM 669 CA GLU A 45 -12.430 -2.402 -14.064 1.00 0.33 C ATOM 670 C GLU A 45 -11.956 -3.765 -13.567 1.00 0.32 C ATOM 671 O GLU A 45 -12.501 -4.309 -12.606 1.00 0.34 O ATOM 672 CB GLU A 45 -13.052 -2.540 -15.455 1.00 0.40 C ATOM 673 CG GLU A 45 -14.243 -3.485 -15.498 1.00 1.14 C ATOM 674 CD GLU A 45 -14.849 -3.593 -16.884 1.00 1.84 C ATOM 675 OE1 GLU A 45 -15.753 -2.791 -17.201 1.00 2.04 O ATOM 676 OE2 GLU A 45 -14.420 -4.479 -17.653 1.00 2.70 O ATOM 0 H GLU A 45 -11.252 -0.919 -14.968 1.00 0.32 H new ATOM 0 HA GLU A 45 -13.183 -2.031 -13.369 1.00 0.33 H new ATOM 0 HB2 GLU A 45 -13.367 -1.556 -15.802 1.00 0.40 H new ATOM 0 HB3 GLU A 45 -12.292 -2.895 -16.150 1.00 0.40 H new ATOM 0 HG2 GLU A 45 -13.930 -4.474 -15.164 1.00 1.14 H new ATOM 0 HG3 GLU A 45 -15.003 -3.138 -14.798 1.00 1.14 H new ATOM 683 N ALA A 46 -10.933 -4.307 -14.224 1.00 0.33 N ATOM 684 CA ALA A 46 -10.386 -5.609 -13.858 1.00 0.37 C ATOM 685 C ALA A 46 -9.991 -5.659 -12.385 1.00 0.33 C ATOM 686 O ALA A 46 -10.346 -6.597 -11.672 1.00 0.34 O ATOM 687 CB ALA A 46 -9.190 -5.941 -14.737 1.00 0.46 C ATOM 0 H ALA A 46 -10.466 -3.862 -15.014 1.00 0.33 H new ATOM 0 HA ALA A 46 -11.165 -6.355 -14.017 1.00 0.37 H new ATOM 0 HB1 ALA A 46 -8.790 -6.915 -14.455 1.00 0.46 H new ATOM 0 HB2 ALA A 46 -9.502 -5.966 -15.781 1.00 0.46 H new ATOM 0 HB3 ALA A 46 -8.420 -5.181 -14.606 1.00 0.46 H new ATOM 693 N GLU A 47 -9.260 -4.643 -11.931 1.00 0.32 N ATOM 694 CA GLU A 47 -8.817 -4.581 -10.541 1.00 0.32 C ATOM 695 C GLU A 47 -10.007 -4.660 -9.594 1.00 0.28 C ATOM 696 O GLU A 47 -9.997 -5.426 -8.633 1.00 0.28 O ATOM 697 CB GLU A 47 -8.032 -3.292 -10.289 1.00 0.37 C ATOM 698 CG GLU A 47 -7.472 -3.187 -8.879 1.00 0.43 C ATOM 699 CD GLU A 47 -6.696 -1.904 -8.654 1.00 1.24 C ATOM 700 OE1 GLU A 47 -5.501 -1.861 -9.017 1.00 1.27 O ATOM 701 OE2 GLU A 47 -7.284 -0.942 -8.117 1.00 2.23 O ATOM 0 H GLU A 47 -8.963 -3.853 -12.504 1.00 0.32 H new ATOM 0 HA GLU A 47 -8.165 -5.434 -10.352 1.00 0.32 H new ATOM 0 HB2 GLU A 47 -7.211 -3.231 -11.003 1.00 0.37 H new ATOM 0 HB3 GLU A 47 -8.682 -2.438 -10.478 1.00 0.37 H new ATOM 0 HG2 GLU A 47 -8.291 -3.243 -8.162 1.00 0.43 H new ATOM 0 HG3 GLU A 47 -6.821 -4.040 -8.686 1.00 0.43 H new ATOM 708 N LEU A 48 -11.032 -3.869 -9.883 1.00 0.29 N ATOM 709 CA LEU A 48 -12.232 -3.839 -9.060 1.00 0.31 C ATOM 710 C LEU A 48 -12.881 -5.218 -8.984 1.00 0.30 C ATOM 711 O LEU A 48 -13.319 -5.649 -7.921 1.00 0.35 O ATOM 712 CB LEU A 48 -13.228 -2.823 -9.624 1.00 0.35 C ATOM 713 CG LEU A 48 -14.279 -2.327 -8.633 1.00 0.65 C ATOM 714 CD1 LEU A 48 -13.624 -1.512 -7.529 1.00 1.34 C ATOM 715 CD2 LEU A 48 -15.338 -1.502 -9.348 1.00 1.36 C ATOM 0 H LEU A 48 -11.055 -3.238 -10.684 1.00 0.29 H new ATOM 0 HA LEU A 48 -11.945 -3.542 -8.051 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -12.673 -1.964 -10.001 1.00 0.35 H new ATOM 0 HB3 LEU A 48 -13.738 -3.272 -10.476 1.00 0.35 H new ATOM 0 HG LEU A 48 -14.764 -3.192 -8.182 1.00 0.65 H new ATOM 0 HD11 LEU A 48 -14.386 -1.166 -6.831 1.00 1.34 H new ATOM 0 HD12 LEU A 48 -12.901 -2.132 -6.999 1.00 1.34 H new ATOM 0 HD13 LEU A 48 -13.114 -0.653 -7.965 1.00 1.34 H new ATOM 0 HD21 LEU A 48 -16.079 -1.157 -8.627 1.00 1.36 H new ATOM 0 HD22 LEU A 48 -14.868 -0.642 -9.825 1.00 1.36 H new ATOM 0 HD23 LEU A 48 -15.827 -2.115 -10.105 1.00 1.36 H new ATOM 727 N GLN A 49 -12.929 -5.908 -10.118 1.00 0.30 N ATOM 728 CA GLN A 49 -13.535 -7.234 -10.185 1.00 0.35 C ATOM 729 C GLN A 49 -12.681 -8.284 -9.474 1.00 0.35 C ATOM 730 O GLN A 49 -13.209 -9.246 -8.915 1.00 0.38 O ATOM 731 CB GLN A 49 -13.746 -7.641 -11.644 1.00 0.41 C ATOM 732 CG GLN A 49 -14.636 -6.688 -12.424 1.00 0.48 C ATOM 733 CD GLN A 49 -16.038 -6.595 -11.853 1.00 0.78 C ATOM 734 OE1 GLN A 49 -16.546 -7.548 -11.263 1.00 1.22 O ATOM 735 NE2 GLN A 49 -16.671 -5.441 -12.030 1.00 1.19 N ATOM 0 H GLN A 49 -12.555 -5.571 -11.005 1.00 0.30 H new ATOM 0 HA GLN A 49 -14.497 -7.183 -9.675 1.00 0.35 H new ATOM 0 HB2 GLN A 49 -12.776 -7.704 -12.138 1.00 0.41 H new ATOM 0 HB3 GLN A 49 -14.184 -8.639 -11.673 1.00 0.41 H new ATOM 0 HG2 GLN A 49 -14.184 -5.696 -12.428 1.00 0.48 H new ATOM 0 HG3 GLN A 49 -14.692 -7.017 -13.462 1.00 0.48 H new ATOM 0 HE21 GLN A 49 -16.211 -4.678 -12.526 1.00 1.19 H new ATOM 0 HE22 GLN A 49 -17.618 -5.318 -11.670 1.00 1.19 H new ATOM 744 N ASP A 50 -11.365 -8.095 -9.493 1.00 0.34 N ATOM 745 CA ASP A 50 -10.451 -9.043 -8.861 1.00 0.38 C ATOM 746 C ASP A 50 -10.480 -8.934 -7.338 1.00 0.35 C ATOM 747 O ASP A 50 -10.737 -9.920 -6.647 1.00 0.39 O ATOM 748 CB ASP A 50 -9.024 -8.828 -9.370 1.00 0.43 C ATOM 749 CG ASP A 50 -8.832 -9.331 -10.787 1.00 0.49 C ATOM 750 OD1 ASP A 50 -8.943 -10.557 -11.001 1.00 0.62 O ATOM 751 OD2 ASP A 50 -8.566 -8.502 -11.682 1.00 0.53 O ATOM 0 H ASP A 50 -10.908 -7.298 -9.937 1.00 0.34 H new ATOM 0 HA ASP A 50 -10.786 -10.045 -9.131 1.00 0.38 H new ATOM 0 HB2 ASP A 50 -8.783 -7.766 -9.329 1.00 0.43 H new ATOM 0 HB3 ASP A 50 -8.325 -9.339 -8.708 1.00 0.43 H new ATOM 756 N LEU A 51 -10.227 -7.736 -6.820 1.00 0.32 N ATOM 757 CA LEU A 51 -10.213 -7.517 -5.376 1.00 0.33 C ATOM 758 C LEU A 51 -11.560 -7.865 -4.750 1.00 0.32 C ATOM 759 O LEU A 51 -11.616 -8.400 -3.642 1.00 0.35 O ATOM 760 CB LEU A 51 -9.837 -6.070 -5.056 1.00 0.36 C ATOM 761 CG LEU A 51 -10.810 -5.016 -5.579 1.00 0.30 C ATOM 762 CD1 LEU A 51 -11.773 -4.585 -4.484 1.00 0.39 C ATOM 763 CD2 LEU A 51 -10.047 -3.820 -6.128 1.00 0.31 C ATOM 0 H LEU A 51 -10.029 -6.904 -7.376 1.00 0.32 H new ATOM 0 HA LEU A 51 -9.461 -8.178 -4.947 1.00 0.33 H new ATOM 0 HB2 LEU A 51 -9.757 -5.963 -3.974 1.00 0.36 H new ATOM 0 HB3 LEU A 51 -8.849 -5.868 -5.471 1.00 0.36 H new ATOM 0 HG LEU A 51 -11.393 -5.454 -6.389 1.00 0.30 H new ATOM 0 HD11 LEU A 51 -12.458 -3.834 -4.877 1.00 0.39 H new ATOM 0 HD12 LEU A 51 -12.341 -5.449 -4.138 1.00 0.39 H new ATOM 0 HD13 LEU A 51 -11.211 -4.163 -3.651 1.00 0.39 H new ATOM 0 HD21 LEU A 51 -10.753 -3.076 -6.497 1.00 0.31 H new ATOM 0 HD22 LEU A 51 -9.439 -3.382 -5.336 1.00 0.31 H new ATOM 0 HD23 LEU A 51 -9.401 -4.144 -6.944 1.00 0.31 H new ATOM 775 N ILE A 52 -12.642 -7.559 -5.459 1.00 0.31 N ATOM 776 CA ILE A 52 -13.980 -7.856 -4.961 1.00 0.34 C ATOM 777 C ILE A 52 -14.225 -9.361 -4.949 1.00 0.37 C ATOM 778 O ILE A 52 -14.898 -9.882 -4.060 1.00 0.41 O ATOM 779 CB ILE A 52 -15.072 -7.158 -5.803 1.00 0.38 C ATOM 780 CG1 ILE A 52 -15.036 -5.646 -5.564 1.00 0.42 C ATOM 781 CG2 ILE A 52 -16.450 -7.719 -5.472 1.00 0.50 C ATOM 782 CD1 ILE A 52 -15.965 -4.864 -6.470 1.00 0.50 C ATOM 0 H ILE A 52 -12.619 -7.109 -6.374 1.00 0.31 H new ATOM 0 HA ILE A 52 -14.038 -7.472 -3.943 1.00 0.34 H new ATOM 0 HB ILE A 52 -14.872 -7.351 -6.857 1.00 0.38 H new ATOM 0 HG12 ILE A 52 -15.301 -5.445 -4.526 1.00 0.42 H new ATOM 0 HG13 ILE A 52 -14.016 -5.288 -5.708 1.00 0.42 H new ATOM 0 HG21 ILE A 52 -17.203 -7.213 -6.076 1.00 0.50 H new ATOM 0 HG22 ILE A 52 -16.469 -8.787 -5.687 1.00 0.50 H new ATOM 0 HG23 ILE A 52 -16.664 -7.558 -4.415 1.00 0.50 H new ATOM 0 HD11 ILE A 52 -15.885 -3.801 -6.243 1.00 0.50 H new ATOM 0 HD12 ILE A 52 -15.687 -5.035 -7.510 1.00 0.50 H new ATOM 0 HD13 ILE A 52 -16.992 -5.193 -6.310 1.00 0.50 H new ATOM 794 N ALA A 53 -13.673 -10.056 -5.940 1.00 0.41 N ATOM 795 CA ALA A 53 -13.826 -11.501 -6.030 1.00 0.50 C ATOM 796 C ALA A 53 -13.216 -12.185 -4.814 1.00 0.49 C ATOM 797 O ALA A 53 -13.738 -13.186 -4.324 1.00 0.58 O ATOM 798 CB ALA A 53 -13.192 -12.025 -7.308 1.00 0.59 C ATOM 0 H ALA A 53 -13.118 -9.642 -6.689 1.00 0.41 H new ATOM 0 HA ALA A 53 -14.891 -11.730 -6.053 1.00 0.50 H new ATOM 0 HB1 ALA A 53 -13.316 -13.107 -7.359 1.00 0.59 H new ATOM 0 HB2 ALA A 53 -13.675 -11.564 -8.169 1.00 0.59 H new ATOM 0 HB3 ALA A 53 -12.130 -11.781 -7.314 1.00 0.59 H new ATOM 804 N GLU A 54 -12.103 -11.640 -4.328 1.00 0.45 N ATOM 805 CA GLU A 54 -11.437 -12.195 -3.156 1.00 0.51 C ATOM 806 C GLU A 54 -12.242 -11.873 -1.913 1.00 0.50 C ATOM 807 O GLU A 54 -12.545 -12.753 -1.107 1.00 0.59 O ATOM 808 CB GLU A 54 -10.027 -11.623 -2.998 1.00 0.57 C ATOM 809 CG GLU A 54 -9.288 -11.433 -4.306 1.00 1.07 C ATOM 810 CD GLU A 54 -9.109 -12.728 -5.075 1.00 1.77 C ATOM 811 OE1 GLU A 54 -8.098 -13.423 -4.839 1.00 1.99 O ATOM 812 OE2 GLU A 54 -9.980 -13.048 -5.912 1.00 2.54 O ATOM 0 H GLU A 54 -11.647 -10.819 -4.726 1.00 0.45 H new ATOM 0 HA GLU A 54 -11.363 -13.274 -3.289 1.00 0.51 H new ATOM 0 HB2 GLU A 54 -10.091 -10.663 -2.486 1.00 0.57 H new ATOM 0 HB3 GLU A 54 -9.446 -12.287 -2.358 1.00 0.57 H new ATOM 0 HG2 GLU A 54 -9.833 -10.721 -4.925 1.00 1.07 H new ATOM 0 HG3 GLU A 54 -8.309 -10.997 -4.105 1.00 1.07 H new ATOM 819 N ALA A 55 -12.588 -10.600 -1.769 1.00 0.43 N ATOM 820 CA ALA A 55 -13.360 -10.147 -0.626 1.00 0.47 C ATOM 821 C ALA A 55 -14.739 -10.798 -0.606 1.00 0.46 C ATOM 822 O ALA A 55 -15.444 -10.755 0.403 1.00 0.53 O ATOM 823 CB ALA A 55 -13.486 -8.631 -0.644 1.00 0.50 C ATOM 0 H ALA A 55 -12.344 -9.864 -2.432 1.00 0.43 H new ATOM 0 HA ALA A 55 -12.834 -10.444 0.281 1.00 0.47 H new ATOM 0 HB1 ALA A 55 -14.067 -8.304 0.218 1.00 0.50 H new ATOM 0 HB2 ALA A 55 -12.493 -8.183 -0.604 1.00 0.50 H new ATOM 0 HB3 ALA A 55 -13.988 -8.318 -1.560 1.00 0.50 H new ATOM 829 N GLU A 56 -15.116 -11.400 -1.732 1.00 0.41 N ATOM 830 CA GLU A 56 -16.414 -12.057 -1.861 1.00 0.44 C ATOM 831 C GLU A 56 -16.602 -13.142 -0.805 1.00 0.49 C ATOM 832 O GLU A 56 -17.703 -13.327 -0.284 1.00 0.63 O ATOM 833 CB GLU A 56 -16.561 -12.663 -3.259 1.00 0.47 C ATOM 834 CG GLU A 56 -17.930 -13.270 -3.522 1.00 0.52 C ATOM 835 CD GLU A 56 -18.020 -13.939 -4.879 1.00 1.26 C ATOM 836 OE1 GLU A 56 -18.348 -13.243 -5.864 1.00 1.66 O ATOM 837 OE2 GLU A 56 -17.762 -15.159 -4.959 1.00 1.95 O ATOM 0 H GLU A 56 -14.538 -11.446 -2.571 1.00 0.41 H new ATOM 0 HA GLU A 56 -17.184 -11.301 -1.708 1.00 0.44 H new ATOM 0 HB2 GLU A 56 -16.367 -11.890 -4.003 1.00 0.47 H new ATOM 0 HB3 GLU A 56 -15.801 -13.432 -3.394 1.00 0.47 H new ATOM 0 HG2 GLU A 56 -18.155 -14.001 -2.745 1.00 0.52 H new ATOM 0 HG3 GLU A 56 -18.688 -12.490 -3.455 1.00 0.52 H new ATOM 844 N ASN A 57 -15.527 -13.859 -0.490 1.00 0.53 N ATOM 845 CA ASN A 57 -15.592 -14.932 0.498 1.00 0.68 C ATOM 846 C ASN A 57 -14.531 -14.762 1.581 1.00 0.79 C ATOM 847 O ASN A 57 -14.776 -15.056 2.752 1.00 1.19 O ATOM 848 CB ASN A 57 -15.423 -16.290 -0.186 1.00 0.87 C ATOM 849 CG ASN A 57 -14.137 -16.380 -0.983 1.00 1.67 C ATOM 850 OD1 ASN A 57 -13.098 -16.788 -0.464 1.00 2.38 O ATOM 851 ND2 ASN A 57 -14.200 -15.998 -2.254 1.00 2.48 N ATOM 0 H ASN A 57 -14.605 -13.718 -0.902 1.00 0.53 H new ATOM 0 HA ASN A 57 -16.571 -14.884 0.975 1.00 0.68 H new ATOM 0 HB2 ASN A 57 -15.436 -17.077 0.568 1.00 0.87 H new ATOM 0 HB3 ASN A 57 -16.271 -16.468 -0.848 1.00 0.87 H new ATOM 0 HD21 ASN A 57 -13.366 -16.037 -2.840 1.00 2.48 H new ATOM 0 HD22 ASN A 57 -15.082 -15.666 -2.644 1.00 2.48 H new ATOM 858 N ASN A 58 -13.352 -14.289 1.189 1.00 0.84 N ATOM 859 CA ASN A 58 -12.257 -14.088 2.134 1.00 1.03 C ATOM 860 C ASN A 58 -12.626 -13.063 3.203 1.00 1.09 C ATOM 861 O ASN A 58 -11.964 -12.967 4.236 1.00 1.84 O ATOM 862 CB ASN A 58 -10.991 -13.645 1.397 1.00 1.12 C ATOM 863 CG ASN A 58 -10.455 -14.721 0.472 1.00 1.81 C ATOM 864 OD1 ASN A 58 -9.602 -15.589 1.004 1.00 2.48 O flip ATOM 865 ND2 ASN A 58 -10.805 -14.772 -0.708 1.00 2.14 N flip ATOM 0 H ASN A 58 -13.130 -14.038 0.226 1.00 0.84 H new ATOM 0 HA ASN A 58 -12.067 -15.040 2.629 1.00 1.03 H new ATOM 0 HB2 ASN A 58 -11.206 -12.746 0.819 1.00 1.12 H new ATOM 0 HB3 ASN A 58 -10.224 -13.380 2.125 1.00 1.12 H new ATOM 0 HD21 ASN A 58 -11.463 -14.084 -1.075 1.00 2.14 H new ATOM 0 HD22 ASN A 58 -10.437 -15.502 -1.318 1.00 2.14 H new ATOM 872 N ASN A 59 -13.686 -12.300 2.951 1.00 1.04 N ATOM 873 CA ASN A 59 -14.139 -11.286 3.898 1.00 1.01 C ATOM 874 C ASN A 59 -15.594 -11.519 4.293 1.00 0.88 C ATOM 875 O ASN A 59 -16.166 -10.747 5.064 1.00 0.91 O ATOM 876 CB ASN A 59 -13.980 -9.888 3.300 1.00 1.08 C ATOM 877 CG ASN A 59 -12.530 -9.527 3.038 1.00 1.31 C ATOM 878 OD1 ASN A 59 -12.221 -8.788 2.105 1.00 2.05 O ATOM 879 ND2 ASN A 59 -11.630 -10.046 3.866 1.00 1.51 N ATOM 0 H ASN A 59 -14.246 -12.364 2.101 1.00 1.04 H new ATOM 0 HA ASN A 59 -13.521 -11.363 4.793 1.00 1.01 H new ATOM 0 HB2 ASN A 59 -14.539 -9.831 2.366 1.00 1.08 H new ATOM 0 HB3 ASN A 59 -14.416 -9.155 3.978 1.00 1.08 H new ATOM 0 HD21 ASN A 59 -10.640 -9.836 3.740 1.00 1.51 H new ATOM 0 HD22 ASN A 59 -11.929 -10.655 4.628 1.00 1.51 H new ATOM 886 N ASN A 60 -16.184 -12.587 3.750 1.00 0.80 N ATOM 887 CA ASN A 60 -17.576 -12.952 4.031 1.00 0.76 C ATOM 888 C ASN A 60 -18.560 -12.009 3.339 1.00 0.74 C ATOM 889 O ASN A 60 -19.659 -12.421 2.966 1.00 1.42 O ATOM 890 CB ASN A 60 -17.841 -12.975 5.539 1.00 0.86 C ATOM 891 CG ASN A 60 -16.910 -13.917 6.279 1.00 0.95 C ATOM 892 OD1 ASN A 60 -16.517 -15.001 5.621 1.00 1.47 O flip ATOM 893 ND2 ASN A 60 -16.551 -13.673 7.430 1.00 1.19 N flip ATOM 0 H ASN A 60 -15.713 -13.221 3.105 1.00 0.80 H new ATOM 0 HA ASN A 60 -17.732 -13.954 3.630 1.00 0.76 H new ATOM 0 HB2 ASN A 60 -17.727 -11.968 5.940 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -18.874 -13.275 5.719 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -16.878 -12.828 7.898 1.00 1.19 H new ATOM 0 HD22 ASN A 60 -15.927 -14.316 7.917 1.00 1.19 H new ATOM 900 N GLY A 61 -18.168 -10.750 3.168 1.00 0.43 N ATOM 901 CA GLY A 61 -19.040 -9.787 2.519 1.00 0.40 C ATOM 902 C GLY A 61 -18.989 -8.418 3.170 1.00 0.32 C ATOM 903 O GLY A 61 -19.860 -7.580 2.934 1.00 0.38 O ATOM 0 H GLY A 61 -17.265 -10.380 3.466 1.00 0.43 H new ATOM 0 HA2 GLY A 61 -18.757 -9.697 1.470 1.00 0.40 H new ATOM 0 HA3 GLY A 61 -20.065 -10.158 2.542 1.00 0.40 H new ATOM 907 N GLN A 62 -17.968 -8.191 3.992 1.00 0.36 N ATOM 908 CA GLN A 62 -17.806 -6.914 4.675 1.00 0.29 C ATOM 909 C GLN A 62 -16.346 -6.472 4.679 1.00 0.31 C ATOM 910 O GLN A 62 -15.433 -7.296 4.651 1.00 0.38 O ATOM 911 CB GLN A 62 -18.323 -7.001 6.113 1.00 0.27 C ATOM 912 CG GLN A 62 -19.806 -6.689 6.256 1.00 0.27 C ATOM 913 CD GLN A 62 -20.080 -5.196 6.310 1.00 0.23 C ATOM 914 OE1 GLN A 62 -21.028 -4.747 6.957 1.00 0.25 O ATOM 915 NE2 GLN A 62 -19.244 -4.417 5.634 1.00 0.21 N ATOM 0 H GLN A 62 -17.241 -8.876 4.200 1.00 0.36 H new ATOM 0 HA GLN A 62 -18.391 -6.173 4.130 1.00 0.29 H new ATOM 0 HB2 GLN A 62 -18.134 -8.004 6.496 1.00 0.27 H new ATOM 0 HB3 GLN A 62 -17.755 -6.310 6.735 1.00 0.27 H new ATOM 0 HG2 GLN A 62 -20.349 -7.125 5.418 1.00 0.27 H new ATOM 0 HG3 GLN A 62 -20.188 -7.159 7.162 1.00 0.27 H new ATOM 0 HE21 GLN A 62 -18.472 -4.830 5.111 1.00 0.21 H new ATOM 0 HE22 GLN A 62 -19.374 -3.405 5.637 1.00 0.21 H new ATOM 924 N LEU A 63 -16.143 -5.159 4.714 1.00 0.30 N ATOM 925 CA LEU A 63 -14.805 -4.576 4.723 1.00 0.36 C ATOM 926 C LEU A 63 -14.582 -3.759 5.991 1.00 0.31 C ATOM 927 O LEU A 63 -15.517 -3.183 6.537 1.00 0.27 O ATOM 928 CB LEU A 63 -14.616 -3.656 3.515 1.00 0.45 C ATOM 929 CG LEU A 63 -14.164 -4.313 2.208 1.00 0.79 C ATOM 930 CD1 LEU A 63 -14.967 -5.570 1.912 1.00 1.41 C ATOM 931 CD2 LEU A 63 -14.296 -3.315 1.066 1.00 1.43 C ATOM 0 H LEU A 63 -16.897 -4.472 4.737 1.00 0.30 H new ATOM 0 HA LEU A 63 -14.087 -5.395 4.683 1.00 0.36 H new ATOM 0 HB2 LEU A 63 -15.559 -3.143 3.328 1.00 0.45 H new ATOM 0 HB3 LEU A 63 -13.885 -2.892 3.781 1.00 0.45 H new ATOM 0 HG LEU A 63 -13.120 -4.609 2.313 1.00 0.79 H new ATOM 0 HD11 LEU A 63 -14.621 -6.011 0.977 1.00 1.41 H new ATOM 0 HD12 LEU A 63 -14.834 -6.286 2.723 1.00 1.41 H new ATOM 0 HD13 LEU A 63 -16.023 -5.315 1.823 1.00 1.41 H new ATOM 0 HD21 LEU A 63 -13.974 -3.782 0.135 1.00 1.43 H new ATOM 0 HD22 LEU A 63 -15.336 -3.002 0.974 1.00 1.43 H new ATOM 0 HD23 LEU A 63 -13.672 -2.445 1.269 1.00 1.43 H new ATOM 943 N ASN A 64 -13.338 -3.695 6.439 1.00 0.33 N ATOM 944 CA ASN A 64 -12.993 -2.926 7.627 1.00 0.31 C ATOM 945 C ASN A 64 -12.105 -1.760 7.248 1.00 0.31 C ATOM 946 O ASN A 64 -11.471 -1.779 6.194 1.00 0.33 O ATOM 947 CB ASN A 64 -12.264 -3.778 8.665 1.00 0.34 C ATOM 948 CG ASN A 64 -13.135 -4.855 9.261 1.00 0.53 C ATOM 949 OD1 ASN A 64 -13.834 -4.629 10.249 1.00 1.19 O ATOM 950 ND2 ASN A 64 -13.080 -6.041 8.676 1.00 0.99 N ATOM 0 H ASN A 64 -12.548 -4.167 5.998 1.00 0.33 H new ATOM 0 HA ASN A 64 -13.926 -2.570 8.063 1.00 0.31 H new ATOM 0 HB2 ASN A 64 -11.392 -4.239 8.201 1.00 0.34 H new ATOM 0 HB3 ASN A 64 -11.896 -3.133 9.463 1.00 0.34 H new ATOM 0 HD21 ASN A 64 -13.632 -6.816 9.042 1.00 0.99 H new ATOM 0 HD22 ASN A 64 -12.485 -6.180 7.859 1.00 0.99 H new ATOM 957 N PHE A 65 -12.081 -0.740 8.090 1.00 0.30 N ATOM 958 CA PHE A 65 -11.247 0.427 7.834 1.00 0.30 C ATOM 959 C PHE A 65 -9.865 -0.002 7.355 1.00 0.29 C ATOM 960 O PHE A 65 -9.262 0.649 6.507 1.00 0.31 O ATOM 961 CB PHE A 65 -11.123 1.278 9.097 1.00 0.32 C ATOM 962 CG PHE A 65 -10.205 2.460 8.937 1.00 0.33 C ATOM 963 CD1 PHE A 65 -10.595 3.558 8.188 1.00 0.37 C ATOM 964 CD2 PHE A 65 -8.956 2.472 9.538 1.00 0.35 C ATOM 965 CE1 PHE A 65 -9.758 4.648 8.042 1.00 0.40 C ATOM 966 CE2 PHE A 65 -8.115 3.560 9.394 1.00 0.38 C ATOM 967 CZ PHE A 65 -8.500 4.636 8.636 1.00 0.39 C ATOM 0 H PHE A 65 -12.625 -0.694 8.952 1.00 0.30 H new ATOM 0 HA PHE A 65 -11.719 1.023 7.053 1.00 0.30 H new ATOM 0 HB2 PHE A 65 -12.113 1.633 9.385 1.00 0.32 H new ATOM 0 HB3 PHE A 65 -10.759 0.653 9.912 1.00 0.32 H new ATOM 0 HD1 PHE A 65 -11.565 3.562 7.712 1.00 0.37 H new ATOM 0 HD2 PHE A 65 -8.637 1.623 10.124 1.00 0.35 H new ATOM 0 HE1 PHE A 65 -10.079 5.505 7.469 1.00 0.40 H new ATOM 0 HE2 PHE A 65 -7.151 3.562 9.881 1.00 0.38 H new ATOM 0 HZ PHE A 65 -7.829 5.471 8.501 1.00 0.39 H new ATOM 977 N THR A 66 -9.381 -1.117 7.895 1.00 0.31 N ATOM 978 CA THR A 66 -8.073 -1.643 7.527 1.00 0.32 C ATOM 979 C THR A 66 -8.107 -2.345 6.178 1.00 0.31 C ATOM 980 O THR A 66 -7.156 -2.260 5.404 1.00 0.30 O ATOM 981 CB THR A 66 -7.545 -2.625 8.580 1.00 0.40 C ATOM 982 OG1 THR A 66 -8.637 -3.255 9.261 1.00 0.56 O ATOM 983 CG2 THR A 66 -6.659 -1.902 9.574 1.00 0.81 C ATOM 0 H THR A 66 -9.878 -1.674 8.591 1.00 0.31 H new ATOM 0 HA THR A 66 -7.405 -0.784 7.466 1.00 0.32 H new ATOM 0 HB THR A 66 -6.955 -3.391 8.077 1.00 0.40 H new ATOM 0 HG1 THR A 66 -8.288 -3.881 9.930 1.00 0.56 H new ATOM 0 HG21 THR A 66 -6.291 -2.611 10.316 1.00 0.81 H new ATOM 0 HG22 THR A 66 -5.815 -1.454 9.050 1.00 0.81 H new ATOM 0 HG23 THR A 66 -7.233 -1.121 10.072 1.00 0.81 H new ATOM 991 N GLU A 67 -9.194 -3.055 5.907 1.00 0.34 N ATOM 992 CA GLU A 67 -9.338 -3.759 4.641 1.00 0.37 C ATOM 993 C GLU A 67 -9.269 -2.768 3.481 1.00 0.32 C ATOM 994 O GLU A 67 -8.518 -2.960 2.522 1.00 0.35 O ATOM 995 CB GLU A 67 -10.664 -4.524 4.605 1.00 0.42 C ATOM 996 CG GLU A 67 -10.794 -5.571 5.703 1.00 0.49 C ATOM 997 CD GLU A 67 -9.849 -6.739 5.509 1.00 0.88 C ATOM 998 OE1 GLU A 67 -8.686 -6.643 5.956 1.00 1.21 O ATOM 999 OE2 GLU A 67 -10.271 -7.751 4.910 1.00 1.36 O ATOM 0 H GLU A 67 -9.985 -3.158 6.543 1.00 0.34 H new ATOM 0 HA GLU A 67 -8.522 -4.475 4.543 1.00 0.37 H new ATOM 0 HB2 GLU A 67 -11.486 -3.814 4.693 1.00 0.42 H new ATOM 0 HB3 GLU A 67 -10.766 -5.012 3.636 1.00 0.42 H new ATOM 0 HG2 GLU A 67 -10.597 -5.106 6.669 1.00 0.49 H new ATOM 0 HG3 GLU A 67 -11.820 -5.939 5.730 1.00 0.49 H new ATOM 1006 N PHE A 68 -10.051 -1.699 3.593 1.00 0.29 N ATOM 1007 CA PHE A 68 -10.096 -0.666 2.568 1.00 0.27 C ATOM 1008 C PHE A 68 -8.789 0.120 2.523 1.00 0.26 C ATOM 1009 O PHE A 68 -8.180 0.259 1.464 1.00 0.32 O ATOM 1010 CB PHE A 68 -11.269 0.279 2.828 1.00 0.26 C ATOM 1011 CG PHE A 68 -11.458 1.325 1.765 1.00 0.30 C ATOM 1012 CD1 PHE A 68 -11.552 0.961 0.434 1.00 0.38 C ATOM 1013 CD2 PHE A 68 -11.534 2.670 2.096 1.00 0.35 C ATOM 1014 CE1 PHE A 68 -11.714 1.917 -0.549 1.00 0.48 C ATOM 1015 CE2 PHE A 68 -11.698 3.629 1.117 1.00 0.45 C ATOM 1016 CZ PHE A 68 -11.830 3.263 -0.191 1.00 0.51 C ATOM 0 H PHE A 68 -10.665 -1.526 4.389 1.00 0.29 H new ATOM 0 HA PHE A 68 -10.233 -1.151 1.602 1.00 0.27 H new ATOM 0 HB2 PHE A 68 -12.184 -0.308 2.912 1.00 0.26 H new ATOM 0 HB3 PHE A 68 -11.118 0.774 3.787 1.00 0.26 H new ATOM 0 HD1 PHE A 68 -11.498 -0.082 0.161 1.00 0.38 H new ATOM 0 HD2 PHE A 68 -11.464 2.970 3.131 1.00 0.35 H new ATOM 0 HE1 PHE A 68 -11.751 1.626 -1.588 1.00 0.48 H new ATOM 0 HE2 PHE A 68 -11.722 4.674 1.387 1.00 0.45 H new ATOM 0 HZ PHE A 68 -12.023 4.010 -0.946 1.00 0.51 H new ATOM 1026 N CYS A 69 -8.368 0.636 3.677 1.00 0.23 N ATOM 1027 CA CYS A 69 -7.129 1.405 3.765 1.00 0.23 C ATOM 1028 C CYS A 69 -5.974 0.618 3.159 1.00 0.27 C ATOM 1029 O CYS A 69 -5.169 1.157 2.399 1.00 0.31 O ATOM 1030 CB CYS A 69 -6.807 1.739 5.223 1.00 0.23 C ATOM 1031 SG CYS A 69 -5.957 3.313 5.462 1.00 0.75 S ATOM 0 H CYS A 69 -8.866 0.535 4.562 1.00 0.23 H new ATOM 0 HA CYS A 69 -7.265 2.332 3.209 1.00 0.23 H new ATOM 0 HB2 CYS A 69 -7.736 1.752 5.793 1.00 0.23 H new ATOM 0 HB3 CYS A 69 -6.190 0.941 5.637 1.00 0.23 H new ATOM 0 HG CYS A 69 -6.788 4.291 5.254 1.00 0.75 H new ATOM 1037 N GLY A 70 -5.905 -0.664 3.508 1.00 0.30 N ATOM 1038 CA GLY A 70 -4.855 -1.525 2.996 1.00 0.35 C ATOM 1039 C GLY A 70 -4.795 -1.510 1.486 1.00 0.37 C ATOM 1040 O GLY A 70 -3.728 -1.308 0.900 1.00 0.41 O ATOM 0 H GLY A 70 -6.562 -1.123 4.140 1.00 0.30 H new ATOM 0 HA2 GLY A 70 -3.895 -1.205 3.400 1.00 0.35 H new ATOM 0 HA3 GLY A 70 -5.022 -2.545 3.342 1.00 0.35 H new ATOM 1044 N ILE A 71 -5.940 -1.726 0.844 1.00 0.37 N ATOM 1045 CA ILE A 71 -5.993 -1.717 -0.608 1.00 0.41 C ATOM 1046 C ILE A 71 -5.613 -0.352 -1.145 1.00 0.40 C ATOM 1047 O ILE A 71 -4.916 -0.240 -2.147 1.00 0.44 O ATOM 1048 CB ILE A 71 -7.380 -2.082 -1.143 1.00 0.42 C ATOM 1049 CG1 ILE A 71 -7.735 -3.506 -0.730 1.00 0.47 C ATOM 1050 CG2 ILE A 71 -7.402 -1.927 -2.660 1.00 0.46 C ATOM 1051 CD1 ILE A 71 -9.205 -3.698 -0.431 1.00 0.51 C ATOM 0 H ILE A 71 -6.832 -1.907 1.304 1.00 0.37 H new ATOM 0 HA ILE A 71 -5.282 -2.471 -0.947 1.00 0.41 H new ATOM 0 HB ILE A 71 -8.126 -1.410 -0.719 1.00 0.42 H new ATOM 0 HG12 ILE A 71 -7.442 -4.191 -1.526 1.00 0.47 H new ATOM 0 HG13 ILE A 71 -7.155 -3.775 0.152 1.00 0.47 H new ATOM 0 HG21 ILE A 71 -8.391 -2.188 -3.038 1.00 0.46 H new ATOM 0 HG22 ILE A 71 -7.173 -0.894 -2.924 1.00 0.46 H new ATOM 0 HG23 ILE A 71 -6.658 -2.588 -3.104 1.00 0.46 H new ATOM 0 HD11 ILE A 71 -9.386 -4.734 -0.144 1.00 0.51 H new ATOM 0 HD12 ILE A 71 -9.499 -3.039 0.385 1.00 0.51 H new ATOM 0 HD13 ILE A 71 -9.791 -3.460 -1.319 1.00 0.51 H new ATOM 1063 N MET A 72 -6.092 0.685 -0.474 1.00 0.38 N ATOM 1064 CA MET A 72 -5.790 2.049 -0.880 1.00 0.41 C ATOM 1065 C MET A 72 -4.286 2.274 -0.869 1.00 0.45 C ATOM 1066 O MET A 72 -3.779 3.171 -1.536 1.00 0.52 O ATOM 1067 CB MET A 72 -6.473 3.062 0.037 1.00 0.39 C ATOM 1068 CG MET A 72 -7.991 2.999 0.003 1.00 0.41 C ATOM 1069 SD MET A 72 -8.747 4.632 -0.103 1.00 1.01 S ATOM 1070 CE MET A 72 -8.269 5.119 -1.759 1.00 0.58 C ATOM 0 H MET A 72 -6.688 0.609 0.350 1.00 0.38 H new ATOM 0 HA MET A 72 -6.171 2.193 -1.891 1.00 0.41 H new ATOM 0 HB2 MET A 72 -6.135 2.897 1.060 1.00 0.39 H new ATOM 0 HB3 MET A 72 -6.154 4.065 -0.245 1.00 0.39 H new ATOM 0 HG2 MET A 72 -8.308 2.399 -0.850 1.00 0.41 H new ATOM 0 HG3 MET A 72 -8.351 2.493 0.899 1.00 0.41 H new ATOM 0 HE1 MET A 72 -8.708 6.089 -1.994 1.00 0.58 H new ATOM 0 HE2 MET A 72 -7.183 5.188 -1.819 1.00 0.58 H new ATOM 0 HE3 MET A 72 -8.625 4.377 -2.474 1.00 0.58 H new ATOM 1080 N ALA A 73 -3.579 1.456 -0.094 1.00 0.46 N ATOM 1081 CA ALA A 73 -2.129 1.552 -0.012 1.00 0.53 C ATOM 1082 C ALA A 73 -1.498 0.979 -1.273 1.00 0.59 C ATOM 1083 O ALA A 73 -0.682 1.635 -1.924 1.00 0.70 O ATOM 1084 CB ALA A 73 -1.613 0.828 1.223 1.00 0.54 C ATOM 0 H ALA A 73 -3.988 0.722 0.484 1.00 0.46 H new ATOM 0 HA ALA A 73 -1.851 2.603 0.072 1.00 0.53 H new ATOM 0 HB1 ALA A 73 -0.527 0.911 1.266 1.00 0.54 H new ATOM 0 HB2 ALA A 73 -2.047 1.277 2.116 1.00 0.54 H new ATOM 0 HB3 ALA A 73 -1.895 -0.224 1.172 1.00 0.54 H new ATOM 1090 N LYS A 74 -1.886 -0.248 -1.621 1.00 0.55 N ATOM 1091 CA LYS A 74 -1.364 -0.893 -2.819 1.00 0.62 C ATOM 1092 C LYS A 74 -1.854 -0.160 -4.064 1.00 0.63 C ATOM 1093 O LYS A 74 -1.231 -0.222 -5.125 1.00 0.70 O ATOM 1094 CB LYS A 74 -1.765 -2.371 -2.873 1.00 0.63 C ATOM 1095 CG LYS A 74 -3.260 -2.623 -2.841 1.00 0.65 C ATOM 1096 CD LYS A 74 -3.554 -4.114 -2.923 1.00 0.74 C ATOM 1097 CE LYS A 74 -5.046 -4.397 -2.953 1.00 0.73 C ATOM 1098 NZ LYS A 74 -5.332 -5.853 -3.069 1.00 1.38 N ATOM 0 H LYS A 74 -2.555 -0.809 -1.093 1.00 0.55 H new ATOM 0 HA LYS A 74 -0.276 -0.845 -2.785 1.00 0.62 H new ATOM 0 HB2 LYS A 74 -1.355 -2.812 -3.782 1.00 0.63 H new ATOM 0 HB3 LYS A 74 -1.305 -2.889 -2.032 1.00 0.63 H new ATOM 0 HG2 LYS A 74 -3.684 -2.213 -1.924 1.00 0.65 H new ATOM 0 HG3 LYS A 74 -3.739 -2.106 -3.672 1.00 0.65 H new ATOM 0 HD2 LYS A 74 -3.088 -4.527 -3.818 1.00 0.74 H new ATOM 0 HD3 LYS A 74 -3.106 -4.620 -2.068 1.00 0.74 H new ATOM 0 HE2 LYS A 74 -5.508 -4.007 -2.046 1.00 0.73 H new ATOM 0 HE3 LYS A 74 -5.499 -3.870 -3.793 1.00 0.73 H new ATOM 0 HZ1 LYS A 74 -6.361 -6.004 -3.086 1.00 1.38 H new ATOM 0 HZ2 LYS A 74 -4.913 -6.220 -3.947 1.00 1.38 H new ATOM 0 HZ3 LYS A 74 -4.922 -6.353 -2.255 1.00 1.38 H new ATOM 1112 N GLN A 75 -2.981 0.533 -3.921 1.00 0.59 N ATOM 1113 CA GLN A 75 -3.564 1.303 -5.011 1.00 0.63 C ATOM 1114 C GLN A 75 -2.820 2.622 -5.194 1.00 0.67 C ATOM 1115 O GLN A 75 -2.425 2.979 -6.303 1.00 0.79 O ATOM 1116 CB GLN A 75 -5.041 1.570 -4.731 1.00 0.63 C ATOM 1117 CG GLN A 75 -5.691 2.532 -5.714 1.00 1.04 C ATOM 1118 CD GLN A 75 -7.141 2.822 -5.378 1.00 1.23 C ATOM 1119 OE1 GLN A 75 -7.471 2.782 -4.090 1.00 1.98 O flip ATOM 1120 NE2 GLN A 75 -7.957 3.080 -6.263 1.00 1.54 N flip ATOM 0 H GLN A 75 -3.511 0.575 -3.051 1.00 0.59 H new ATOM 0 HA GLN A 75 -3.474 0.724 -5.930 1.00 0.63 H new ATOM 0 HB2 GLN A 75 -5.582 0.624 -4.753 1.00 0.63 H new ATOM 0 HB3 GLN A 75 -5.143 1.972 -3.723 1.00 0.63 H new ATOM 0 HG2 GLN A 75 -5.131 3.467 -5.725 1.00 1.04 H new ATOM 0 HG3 GLN A 75 -5.632 2.113 -6.719 1.00 1.04 H new ATOM 0 HE21 GLN A 75 -7.661 3.100 -7.239 1.00 1.54 H new ATOM 0 HE22 GLN A 75 -8.929 3.274 -6.020 1.00 1.54 H new ATOM 1129 N MET A 76 -2.634 3.341 -4.089 1.00 0.65 N ATOM 1130 CA MET A 76 -1.940 4.613 -4.102 1.00 0.73 C ATOM 1131 C MET A 76 -0.460 4.421 -4.424 1.00 0.89 C ATOM 1132 O MET A 76 0.251 5.382 -4.711 1.00 1.06 O ATOM 1133 CB MET A 76 -2.098 5.298 -2.751 1.00 0.76 C ATOM 1134 CG MET A 76 -3.442 5.986 -2.566 1.00 0.80 C ATOM 1135 SD MET A 76 -3.466 7.076 -1.130 1.00 1.20 S ATOM 1136 CE MET A 76 -5.216 7.434 -1.004 1.00 0.75 C ATOM 0 H MET A 76 -2.961 3.054 -3.166 1.00 0.65 H new ATOM 0 HA MET A 76 -2.378 5.240 -4.878 1.00 0.73 H new ATOM 0 HB2 MET A 76 -1.967 4.558 -1.961 1.00 0.76 H new ATOM 0 HB3 MET A 76 -1.304 6.035 -2.632 1.00 0.76 H new ATOM 0 HG2 MET A 76 -3.678 6.563 -3.460 1.00 0.80 H new ATOM 0 HG3 MET A 76 -4.221 5.232 -2.459 1.00 0.80 H new ATOM 0 HE1 MET A 76 -5.370 8.256 -0.305 1.00 0.75 H new ATOM 0 HE2 MET A 76 -5.602 7.714 -1.984 1.00 0.75 H new ATOM 0 HE3 MET A 76 -5.743 6.550 -0.646 1.00 0.75 H new ATOM 1146 N ARG A 77 -0.009 3.167 -4.351 1.00 0.96 N ATOM 1147 CA ARG A 77 1.387 2.806 -4.623 1.00 1.19 C ATOM 1148 C ARG A 77 1.933 3.506 -5.871 1.00 1.32 C ATOM 1149 O ARG A 77 3.146 3.633 -6.036 1.00 1.53 O ATOM 1150 CB ARG A 77 1.501 1.288 -4.793 1.00 1.43 C ATOM 1151 CG ARG A 77 2.930 0.771 -4.778 1.00 1.88 C ATOM 1152 CD ARG A 77 3.508 0.769 -3.373 1.00 2.24 C ATOM 1153 NE ARG A 77 4.857 0.214 -3.335 1.00 3.04 N ATOM 1154 CZ ARG A 77 5.596 0.144 -2.232 1.00 3.73 C ATOM 1155 NH1 ARG A 77 5.116 0.594 -1.080 1.00 3.83 N ATOM 1156 NH2 ARG A 77 6.815 -0.377 -2.280 1.00 4.69 N ATOM 0 H ARG A 77 -0.599 2.373 -4.102 1.00 0.96 H new ATOM 0 HA ARG A 77 1.984 3.136 -3.773 1.00 1.19 H new ATOM 0 HB2 ARG A 77 0.940 0.800 -3.996 1.00 1.43 H new ATOM 0 HB3 ARG A 77 1.032 1.002 -5.734 1.00 1.43 H new ATOM 0 HG2 ARG A 77 2.956 -0.240 -5.185 1.00 1.88 H new ATOM 0 HG3 ARG A 77 3.549 1.391 -5.426 1.00 1.88 H new ATOM 0 HD2 ARG A 77 3.525 1.788 -2.987 1.00 2.24 H new ATOM 0 HD3 ARG A 77 2.860 0.190 -2.716 1.00 2.24 H new ATOM 0 HE ARG A 77 5.256 -0.140 -4.204 1.00 3.04 H new ATOM 0 HH11 ARG A 77 4.179 0.994 -1.040 1.00 3.83 H new ATOM 0 HH12 ARG A 77 5.684 0.540 -0.235 1.00 3.83 H new ATOM 0 HH21 ARG A 77 7.187 -0.725 -3.164 1.00 4.69 H new ATOM 0 HH22 ARG A 77 7.381 -0.430 -1.433 1.00 4.69 H new ATOM 1170 N GLU A 78 1.037 3.948 -6.747 1.00 1.44 N ATOM 1171 CA GLU A 78 1.427 4.632 -7.978 1.00 1.86 C ATOM 1172 C GLU A 78 2.393 5.787 -7.700 1.00 2.54 C ATOM 1173 O GLU A 78 3.198 6.153 -8.556 1.00 3.23 O ATOM 1174 CB GLU A 78 0.183 5.165 -8.692 1.00 2.05 C ATOM 1175 CG GLU A 78 0.494 6.034 -9.901 1.00 2.65 C ATOM 1176 CD GLU A 78 1.016 5.233 -11.078 1.00 3.46 C ATOM 1177 OE1 GLU A 78 2.244 5.013 -11.148 1.00 4.01 O ATOM 1178 OE2 GLU A 78 0.198 4.826 -11.930 1.00 3.90 O ATOM 0 H GLU A 78 0.029 3.845 -6.627 1.00 1.44 H new ATOM 0 HA GLU A 78 1.939 3.909 -8.613 1.00 1.86 H new ATOM 0 HB2 GLU A 78 -0.431 4.322 -9.010 1.00 2.05 H new ATOM 0 HB3 GLU A 78 -0.411 5.743 -7.984 1.00 2.05 H new ATOM 0 HG2 GLU A 78 -0.408 6.568 -10.201 1.00 2.65 H new ATOM 0 HG3 GLU A 78 1.232 6.786 -9.623 1.00 2.65 H new ATOM 1185 N THR A 79 2.305 6.352 -6.503 1.00 2.81 N ATOM 1186 CA THR A 79 3.152 7.477 -6.119 1.00 3.72 C ATOM 1187 C THR A 79 4.636 7.112 -6.117 1.00 3.90 C ATOM 1188 O THR A 79 5.466 7.872 -6.616 1.00 4.36 O ATOM 1189 CB THR A 79 2.757 8.020 -4.734 1.00 4.37 C ATOM 1190 OG1 THR A 79 3.596 9.124 -4.379 1.00 4.67 O ATOM 1191 CG2 THR A 79 2.862 6.935 -3.670 1.00 5.28 C ATOM 0 H THR A 79 1.654 6.050 -5.778 1.00 2.81 H new ATOM 0 HA THR A 79 2.994 8.251 -6.870 1.00 3.72 H new ATOM 0 HB THR A 79 1.721 8.354 -4.787 1.00 4.37 H new ATOM 0 HG1 THR A 79 3.335 9.463 -3.497 1.00 4.67 H new ATOM 0 HG21 THR A 79 2.577 7.346 -2.702 1.00 5.28 H new ATOM 0 HG22 THR A 79 2.196 6.111 -3.924 1.00 5.28 H new ATOM 0 HG23 THR A 79 3.888 6.571 -3.622 1.00 5.28 H new ATOM 1199 N ASP A 80 4.971 5.949 -5.562 1.00 3.93 N ATOM 1200 CA ASP A 80 6.363 5.510 -5.501 1.00 4.35 C ATOM 1201 C ASP A 80 6.821 4.915 -6.830 1.00 4.98 C ATOM 1202 O ASP A 80 7.699 5.466 -7.494 1.00 5.60 O ATOM 1203 CB ASP A 80 6.560 4.483 -4.385 1.00 4.57 C ATOM 1204 CG ASP A 80 5.441 3.465 -4.321 1.00 4.84 C ATOM 1205 OD1 ASP A 80 4.407 3.758 -3.684 1.00 4.80 O ATOM 1206 OD2 ASP A 80 5.600 2.373 -4.907 1.00 5.42 O ATOM 0 H ASP A 80 4.302 5.298 -5.151 1.00 3.93 H new ATOM 0 HA ASP A 80 6.970 6.391 -5.290 1.00 4.35 H new ATOM 0 HB2 ASP A 80 7.507 3.966 -4.536 1.00 4.57 H new ATOM 0 HB3 ASP A 80 6.629 5.001 -3.429 1.00 4.57 H new ATOM 1211 N THR A 81 6.220 3.789 -7.213 1.00 5.18 N ATOM 1212 CA THR A 81 6.580 3.114 -8.457 1.00 6.15 C ATOM 1213 C THR A 81 8.070 2.785 -8.474 1.00 6.80 C ATOM 1214 O THR A 81 8.867 3.504 -9.073 1.00 7.13 O ATOM 1215 CB THR A 81 6.228 3.970 -9.687 1.00 6.60 C ATOM 1216 OG1 THR A 81 4.823 4.245 -9.710 1.00 7.29 O ATOM 1217 CG2 THR A 81 6.632 3.259 -10.967 1.00 6.89 C ATOM 0 H THR A 81 5.483 3.327 -6.680 1.00 5.18 H new ATOM 0 HA THR A 81 6.003 2.190 -8.505 1.00 6.15 H new ATOM 0 HB THR A 81 6.777 4.909 -9.620 1.00 6.60 H new ATOM 0 HG1 THR A 81 4.634 5.031 -9.155 1.00 7.29 H new ATOM 0 HG21 THR A 81 6.375 3.880 -11.825 1.00 6.89 H new ATOM 0 HG22 THR A 81 7.707 3.078 -10.959 1.00 6.89 H new ATOM 0 HG23 THR A 81 6.105 2.308 -11.037 1.00 6.89 H new ATOM 1225 N GLU A 82 8.429 1.685 -7.821 1.00 7.25 N ATOM 1226 CA GLU A 82 9.823 1.254 -7.719 1.00 8.05 C ATOM 1227 C GLU A 82 10.474 1.004 -9.082 1.00 8.92 C ATOM 1228 O GLU A 82 11.697 0.901 -9.174 1.00 9.53 O ATOM 1229 CB GLU A 82 9.908 -0.014 -6.869 1.00 8.64 C ATOM 1230 CG GLU A 82 9.240 0.120 -5.511 1.00 8.69 C ATOM 1231 CD GLU A 82 9.278 -1.168 -4.711 1.00 9.34 C ATOM 1232 OE1 GLU A 82 10.273 -1.388 -3.988 1.00 9.74 O ATOM 1233 OE2 GLU A 82 8.314 -1.955 -4.806 1.00 9.63 O ATOM 0 H GLU A 82 7.768 1.068 -7.349 1.00 7.25 H new ATOM 0 HA GLU A 82 10.374 2.068 -7.248 1.00 8.05 H new ATOM 0 HB2 GLU A 82 9.446 -0.838 -7.413 1.00 8.64 H new ATOM 0 HB3 GLU A 82 10.956 -0.276 -6.725 1.00 8.64 H new ATOM 0 HG2 GLU A 82 9.733 0.910 -4.944 1.00 8.69 H new ATOM 0 HG3 GLU A 82 8.203 0.427 -5.649 1.00 8.69 H new ATOM 1240 N GLU A 83 9.668 0.901 -10.135 1.00 9.15 N ATOM 1241 CA GLU A 83 10.205 0.646 -11.474 1.00 10.17 C ATOM 1242 C GLU A 83 11.077 1.803 -11.962 1.00 10.27 C ATOM 1243 O GLU A 83 12.253 1.614 -12.293 1.00 11.05 O ATOM 1244 CB GLU A 83 9.063 0.407 -12.463 1.00 10.55 C ATOM 1245 CG GLU A 83 8.176 -0.773 -12.098 1.00 10.83 C ATOM 1246 CD GLU A 83 7.074 -1.006 -13.113 1.00 11.60 C ATOM 1247 OE1 GLU A 83 6.003 -0.377 -12.981 1.00 12.11 O ATOM 1248 OE2 GLU A 83 7.282 -1.818 -14.039 1.00 11.85 O ATOM 0 H GLU A 83 8.653 0.988 -10.092 1.00 9.15 H new ATOM 0 HA GLU A 83 10.830 -0.245 -11.414 1.00 10.17 H new ATOM 0 HB2 GLU A 83 8.450 1.307 -12.521 1.00 10.55 H new ATOM 0 HB3 GLU A 83 9.482 0.242 -13.456 1.00 10.55 H new ATOM 0 HG2 GLU A 83 8.787 -1.672 -12.017 1.00 10.83 H new ATOM 0 HG3 GLU A 83 7.732 -0.600 -11.118 1.00 10.83 H new ATOM 1255 N GLU A 84 10.504 3.001 -11.994 1.00 9.63 N ATOM 1256 CA GLU A 84 11.231 4.183 -12.445 1.00 9.95 C ATOM 1257 C GLU A 84 12.341 4.530 -11.462 1.00 9.87 C ATOM 1258 O GLU A 84 13.267 5.278 -11.784 1.00 10.51 O ATOM 1259 CB GLU A 84 10.277 5.368 -12.600 1.00 9.47 C ATOM 1260 CG GLU A 84 10.905 6.569 -13.287 1.00 9.88 C ATOM 1261 CD GLU A 84 11.303 6.279 -14.722 1.00 10.40 C ATOM 1262 OE1 GLU A 84 12.414 5.750 -14.934 1.00 10.87 O ATOM 1263 OE2 GLU A 84 10.504 6.582 -15.632 1.00 10.49 O ATOM 0 H GLU A 84 9.540 3.180 -11.714 1.00 9.63 H new ATOM 0 HA GLU A 84 11.678 3.964 -13.415 1.00 9.95 H new ATOM 0 HB2 GLU A 84 9.404 5.049 -13.170 1.00 9.47 H new ATOM 0 HB3 GLU A 84 9.921 5.669 -11.614 1.00 9.47 H new ATOM 0 HG2 GLU A 84 10.201 7.401 -13.270 1.00 9.88 H new ATOM 0 HG3 GLU A 84 11.785 6.884 -12.727 1.00 9.88 H new ATOM 1270 N MET A 85 12.245 3.966 -10.265 1.00 9.31 N ATOM 1271 CA MET A 85 13.227 4.209 -9.222 1.00 9.45 C ATOM 1272 C MET A 85 14.450 3.343 -9.457 1.00 10.49 C ATOM 1273 O MET A 85 15.579 3.749 -9.180 1.00 11.09 O ATOM 1274 CB MET A 85 12.618 3.910 -7.855 1.00 8.75 C ATOM 1275 CG MET A 85 11.241 4.523 -7.666 1.00 7.71 C ATOM 1276 SD MET A 85 11.280 6.320 -7.529 1.00 7.19 S ATOM 1277 CE MET A 85 10.780 6.531 -5.824 1.00 6.73 C ATOM 0 H MET A 85 11.492 3.334 -9.994 1.00 9.31 H new ATOM 0 HA MET A 85 13.528 5.256 -9.248 1.00 9.45 H new ATOM 0 HB2 MET A 85 12.549 2.830 -7.724 1.00 8.75 H new ATOM 0 HB3 MET A 85 13.285 4.284 -7.078 1.00 8.75 H new ATOM 0 HG2 MET A 85 10.606 4.242 -8.507 1.00 7.71 H new ATOM 0 HG3 MET A 85 10.784 4.106 -6.769 1.00 7.71 H new ATOM 0 HE1 MET A 85 10.957 7.562 -5.518 1.00 6.73 H new ATOM 0 HE2 MET A 85 9.719 6.300 -5.725 1.00 6.73 H new ATOM 0 HE3 MET A 85 11.358 5.859 -5.189 1.00 6.73 H new ATOM 1287 N ARG A 86 14.213 2.140 -9.970 1.00 10.82 N ATOM 1288 CA ARG A 86 15.292 1.216 -10.265 1.00 11.88 C ATOM 1289 C ARG A 86 16.154 1.782 -11.381 1.00 12.66 C ATOM 1290 O ARG A 86 17.381 1.711 -11.330 1.00 13.43 O ATOM 1291 CB ARG A 86 14.738 -0.147 -10.672 1.00 12.21 C ATOM 1292 CG ARG A 86 15.707 -1.284 -10.420 1.00 13.16 C ATOM 1293 CD ARG A 86 15.346 -2.515 -11.235 1.00 13.63 C ATOM 1294 NE ARG A 86 13.997 -2.989 -10.939 1.00 14.25 N ATOM 1295 CZ ARG A 86 13.243 -3.663 -11.803 1.00 14.86 C ATOM 1296 NH1 ARG A 86 13.707 -3.945 -13.014 1.00 14.96 N ATOM 1297 NH2 ARG A 86 12.024 -4.055 -11.457 1.00 15.52 N ATOM 0 H ARG A 86 13.282 1.786 -10.189 1.00 10.82 H new ATOM 0 HA ARG A 86 15.898 1.085 -9.369 1.00 11.88 H new ATOM 0 HB2 ARG A 86 13.816 -0.336 -10.123 1.00 12.21 H new ATOM 0 HB3 ARG A 86 14.480 -0.126 -11.731 1.00 12.21 H new ATOM 0 HG2 ARG A 86 16.718 -0.964 -10.671 1.00 13.16 H new ATOM 0 HG3 ARG A 86 15.706 -1.536 -9.359 1.00 13.16 H new ATOM 0 HD2 ARG A 86 15.424 -2.283 -12.297 1.00 13.63 H new ATOM 0 HD3 ARG A 86 16.063 -3.310 -11.029 1.00 13.63 H new ATOM 0 HE ARG A 86 13.610 -2.792 -10.016 1.00 14.25 H new ATOM 0 HH11 ARG A 86 14.644 -3.645 -13.284 1.00 14.96 H new ATOM 0 HH12 ARG A 86 13.127 -4.462 -13.675 1.00 14.96 H new ATOM 0 HH21 ARG A 86 11.664 -3.840 -10.527 1.00 15.52 H new ATOM 0 HH22 ARG A 86 11.447 -4.572 -12.121 1.00 15.52 H new ATOM 1311 N GLU A 87 15.498 2.340 -12.396 1.00 12.58 N ATOM 1312 CA GLU A 87 16.211 2.945 -13.513 1.00 13.44 C ATOM 1313 C GLU A 87 17.094 4.074 -12.994 1.00 13.54 C ATOM 1314 O GLU A 87 18.278 4.169 -13.335 1.00 14.45 O ATOM 1315 CB GLU A 87 15.219 3.477 -14.553 1.00 13.42 C ATOM 1316 CG GLU A 87 15.838 3.747 -15.918 1.00 14.12 C ATOM 1317 CD GLU A 87 16.846 4.881 -15.895 1.00 14.57 C ATOM 1318 OE1 GLU A 87 16.423 6.047 -15.744 1.00 14.85 O ATOM 1319 OE2 GLU A 87 18.055 4.603 -16.027 1.00 14.77 O ATOM 0 H GLU A 87 14.481 2.385 -12.466 1.00 12.58 H new ATOM 0 HA GLU A 87 16.836 2.192 -13.993 1.00 13.44 H new ATOM 0 HB2 GLU A 87 14.409 2.757 -14.669 1.00 13.42 H new ATOM 0 HB3 GLU A 87 14.775 4.399 -14.178 1.00 13.42 H new ATOM 0 HG2 GLU A 87 16.326 2.841 -16.276 1.00 14.12 H new ATOM 0 HG3 GLU A 87 15.047 3.985 -16.629 1.00 14.12 H new ATOM 1326 N ALA A 88 16.506 4.925 -12.156 1.00 12.70 N ATOM 1327 CA ALA A 88 17.232 6.041 -11.567 1.00 12.92 C ATOM 1328 C ALA A 88 18.340 5.535 -10.652 1.00 13.38 C ATOM 1329 O ALA A 88 19.341 6.220 -10.436 1.00 14.11 O ATOM 1330 CB ALA A 88 16.280 6.948 -10.801 1.00 12.02 C ATOM 0 H ALA A 88 15.529 4.861 -11.871 1.00 12.70 H new ATOM 0 HA ALA A 88 17.688 6.619 -12.371 1.00 12.92 H new ATOM 0 HB1 ALA A 88 16.838 7.777 -10.367 1.00 12.02 H new ATOM 0 HB2 ALA A 88 15.522 7.337 -11.481 1.00 12.02 H new ATOM 0 HB3 ALA A 88 15.797 6.380 -10.006 1.00 12.02 H new ATOM 1336 N PHE A 89 18.155 4.330 -10.115 1.00 13.10 N ATOM 1337 CA PHE A 89 19.147 3.729 -9.231 1.00 13.68 C ATOM 1338 C PHE A 89 20.392 3.348 -10.019 1.00 14.81 C ATOM 1339 O PHE A 89 21.515 3.487 -9.534 1.00 15.53 O ATOM 1340 CB PHE A 89 18.569 2.494 -8.533 1.00 13.32 C ATOM 1341 CG PHE A 89 19.600 1.678 -7.802 1.00 14.09 C ATOM 1342 CD1 PHE A 89 20.211 2.170 -6.661 1.00 14.41 C ATOM 1343 CD2 PHE A 89 19.956 0.420 -8.260 1.00 14.63 C ATOM 1344 CE1 PHE A 89 21.159 1.422 -5.988 1.00 15.22 C ATOM 1345 CE2 PHE A 89 20.904 -0.332 -7.593 1.00 15.44 C ATOM 1346 CZ PHE A 89 21.505 0.169 -6.455 1.00 15.73 C ATOM 0 H PHE A 89 17.329 3.754 -10.277 1.00 13.10 H new ATOM 0 HA PHE A 89 19.419 4.462 -8.471 1.00 13.68 H new ATOM 0 HB2 PHE A 89 17.802 2.812 -7.827 1.00 13.32 H new ATOM 0 HB3 PHE A 89 18.078 1.864 -9.275 1.00 13.32 H new ATOM 0 HD1 PHE A 89 19.944 3.149 -6.293 1.00 14.41 H new ATOM 0 HD2 PHE A 89 19.487 0.023 -9.148 1.00 14.63 H new ATOM 0 HE1 PHE A 89 21.628 1.817 -5.099 1.00 15.22 H new ATOM 0 HE2 PHE A 89 21.175 -1.311 -7.961 1.00 15.44 H new ATOM 0 HZ PHE A 89 22.245 -0.418 -5.931 1.00 15.73 H new ATOM 1356 N LYS A 90 20.182 2.860 -11.237 1.00 15.06 N ATOM 1357 CA LYS A 90 21.288 2.465 -12.100 1.00 16.18 C ATOM 1358 C LYS A 90 22.156 3.668 -12.434 1.00 16.76 C ATOM 1359 O LYS A 90 23.381 3.614 -12.316 1.00 17.66 O ATOM 1360 CB LYS A 90 20.767 1.831 -13.389 1.00 16.38 C ATOM 1361 CG LYS A 90 19.858 0.634 -13.156 1.00 16.21 C ATOM 1362 CD LYS A 90 19.588 -0.126 -14.446 1.00 16.55 C ATOM 1363 CE LYS A 90 18.502 0.537 -15.280 1.00 16.86 C ATOM 1364 NZ LYS A 90 18.891 1.900 -15.734 1.00 17.18 N ATOM 0 H LYS A 90 19.258 2.729 -11.648 1.00 15.06 H new ATOM 0 HA LYS A 90 21.889 1.730 -11.565 1.00 16.18 H new ATOM 0 HB2 LYS A 90 20.223 2.584 -13.960 1.00 16.38 H new ATOM 0 HB3 LYS A 90 21.615 1.519 -13.999 1.00 16.38 H new ATOM 0 HG2 LYS A 90 20.317 -0.035 -12.428 1.00 16.21 H new ATOM 0 HG3 LYS A 90 18.914 0.971 -12.728 1.00 16.21 H new ATOM 0 HD2 LYS A 90 20.507 -0.188 -15.030 1.00 16.55 H new ATOM 0 HD3 LYS A 90 19.291 -1.148 -14.210 1.00 16.55 H new ATOM 0 HE2 LYS A 90 18.284 -0.084 -16.149 1.00 16.86 H new ATOM 0 HE3 LYS A 90 17.585 0.600 -14.694 1.00 16.86 H new ATOM 0 HZ1 LYS A 90 18.418 2.114 -16.635 1.00 17.18 H new ATOM 0 HZ2 LYS A 90 18.606 2.599 -15.019 1.00 17.18 H new ATOM 0 HZ3 LYS A 90 19.922 1.941 -15.866 1.00 17.18 H new ATOM 1378 N ILE A 91 21.515 4.756 -12.854 1.00 16.32 N ATOM 1379 CA ILE A 91 22.239 5.972 -13.200 1.00 16.96 C ATOM 1380 C ILE A 91 23.000 6.512 -11.996 1.00 17.21 C ATOM 1381 O ILE A 91 24.173 6.873 -12.101 1.00 18.15 O ATOM 1382 CB ILE A 91 21.296 7.071 -13.727 1.00 16.50 C ATOM 1383 CG1 ILE A 91 20.547 6.580 -14.969 1.00 16.43 C ATOM 1384 CG2 ILE A 91 22.086 8.339 -14.038 1.00 17.34 C ATOM 1385 CD1 ILE A 91 19.466 7.529 -15.441 1.00 16.26 C ATOM 0 H ILE A 91 20.503 4.819 -12.962 1.00 16.32 H new ATOM 0 HA ILE A 91 22.941 5.704 -13.990 1.00 16.96 H new ATOM 0 HB ILE A 91 20.562 7.304 -12.956 1.00 16.50 H new ATOM 0 HG12 ILE A 91 21.262 6.427 -15.777 1.00 16.43 H new ATOM 0 HG13 ILE A 91 20.098 5.611 -14.753 1.00 16.43 H new ATOM 0 HG21 ILE A 91 21.409 9.108 -14.410 1.00 17.34 H new ATOM 0 HG22 ILE A 91 22.576 8.694 -13.131 1.00 17.34 H new ATOM 0 HG23 ILE A 91 22.839 8.122 -14.796 1.00 17.34 H new ATOM 0 HD11 ILE A 91 18.979 7.115 -16.324 1.00 16.26 H new ATOM 0 HD12 ILE A 91 18.729 7.664 -14.649 1.00 16.26 H new ATOM 0 HD13 ILE A 91 19.911 8.492 -15.690 1.00 16.26 H new ATOM 1397 N PHE A 92 22.324 6.566 -10.851 1.00 16.44 N ATOM 1398 CA PHE A 92 22.937 7.065 -9.628 1.00 16.75 C ATOM 1399 C PHE A 92 24.146 6.223 -9.236 1.00 17.52 C ATOM 1400 O PHE A 92 25.164 6.754 -8.791 1.00 18.34 O ATOM 1401 CB PHE A 92 21.918 7.090 -8.488 1.00 15.83 C ATOM 1402 CG PHE A 92 21.462 8.476 -8.132 1.00 15.63 C ATOM 1403 CD1 PHE A 92 22.201 9.263 -7.262 1.00 15.41 C ATOM 1404 CD2 PHE A 92 20.292 8.991 -8.666 1.00 15.79 C ATOM 1405 CE1 PHE A 92 21.780 10.538 -6.933 1.00 15.39 C ATOM 1406 CE2 PHE A 92 19.867 10.267 -8.340 1.00 15.74 C ATOM 1407 CZ PHE A 92 20.623 11.043 -7.471 1.00 15.56 C ATOM 0 H PHE A 92 21.353 6.270 -10.747 1.00 16.44 H new ATOM 0 HA PHE A 92 23.278 8.083 -9.817 1.00 16.75 H new ATOM 0 HB2 PHE A 92 21.052 6.491 -8.770 1.00 15.83 H new ATOM 0 HB3 PHE A 92 22.357 6.621 -7.607 1.00 15.83 H new ATOM 0 HD1 PHE A 92 23.115 8.876 -6.837 1.00 15.41 H new ATOM 0 HD2 PHE A 92 19.705 8.390 -9.344 1.00 15.79 H new ATOM 0 HE1 PHE A 92 22.363 11.138 -6.251 1.00 15.39 H new ATOM 0 HE2 PHE A 92 18.952 10.658 -8.759 1.00 15.74 H new ATOM 0 HZ PHE A 92 20.301 12.043 -7.219 1.00 15.56 H new ATOM 1417 N ASP A 93 24.032 4.909 -9.402 1.00 17.35 N ATOM 1418 CA ASP A 93 25.130 4.009 -9.072 1.00 18.13 C ATOM 1419 C ASP A 93 26.239 4.137 -10.110 1.00 19.15 C ATOM 1420 O ASP A 93 26.193 3.507 -11.166 1.00 19.29 O ATOM 1421 CB ASP A 93 24.637 2.561 -8.996 1.00 17.78 C ATOM 1422 CG ASP A 93 25.630 1.644 -8.305 1.00 18.61 C ATOM 1423 OD1 ASP A 93 26.813 2.030 -8.192 1.00 18.94 O ATOM 1424 OD2 ASP A 93 25.228 0.539 -7.877 1.00 18.99 O ATOM 0 H ASP A 93 23.196 4.447 -9.761 1.00 17.35 H new ATOM 0 HA ASP A 93 25.526 4.287 -8.095 1.00 18.13 H new ATOM 0 HB2 ASP A 93 23.687 2.532 -8.462 1.00 17.78 H new ATOM 0 HB3 ASP A 93 24.447 2.192 -10.004 1.00 17.78 H new ATOM 1429 N ARG A 94 27.230 4.965 -9.797 1.00 19.94 N ATOM 1430 CA ARG A 94 28.355 5.201 -10.697 1.00 20.98 C ATOM 1431 C ARG A 94 29.063 3.894 -11.050 1.00 21.56 C ATOM 1432 O ARG A 94 29.832 3.834 -12.011 1.00 22.25 O ATOM 1433 CB ARG A 94 29.341 6.180 -10.056 1.00 21.74 C ATOM 1434 CG ARG A 94 28.674 7.424 -9.485 1.00 21.43 C ATOM 1435 CD ARG A 94 28.788 8.611 -10.423 1.00 21.19 C ATOM 1436 NE ARG A 94 28.538 8.239 -11.813 1.00 21.42 N ATOM 1437 CZ ARG A 94 29.412 8.430 -12.797 1.00 21.61 C ATOM 1438 NH1 ARG A 94 30.596 8.972 -12.545 1.00 21.58 N ATOM 1439 NH2 ARG A 94 29.103 8.074 -14.037 1.00 21.94 N ATOM 0 H ARG A 94 27.277 5.487 -8.922 1.00 19.94 H new ATOM 0 HA ARG A 94 27.968 5.634 -11.620 1.00 20.98 H new ATOM 0 HB2 ARG A 94 29.883 5.669 -9.260 1.00 21.74 H new ATOM 0 HB3 ARG A 94 30.078 6.481 -10.800 1.00 21.74 H new ATOM 0 HG2 ARG A 94 27.622 7.215 -9.291 1.00 21.43 H new ATOM 0 HG3 ARG A 94 29.131 7.673 -8.527 1.00 21.43 H new ATOM 0 HD2 ARG A 94 28.078 9.381 -10.121 1.00 21.19 H new ATOM 0 HD3 ARG A 94 29.784 9.045 -10.338 1.00 21.19 H new ATOM 0 HE ARG A 94 27.642 7.808 -12.042 1.00 21.42 H new ATOM 0 HH11 ARG A 94 30.840 9.245 -11.593 1.00 21.58 H new ATOM 0 HH12 ARG A 94 31.263 9.116 -13.303 1.00 21.58 H new ATOM 0 HH21 ARG A 94 28.195 7.654 -14.236 1.00 21.94 H new ATOM 0 HH22 ARG A 94 29.773 8.221 -14.792 1.00 21.94 H new ATOM 1453 N ASP A 95 28.799 2.849 -10.270 1.00 21.37 N ATOM 1454 CA ASP A 95 29.406 1.543 -10.504 1.00 21.99 C ATOM 1455 C ASP A 95 28.341 0.496 -10.806 1.00 21.37 C ATOM 1456 O ASP A 95 27.146 0.744 -10.645 1.00 20.39 O ATOM 1457 CB ASP A 95 30.219 1.105 -9.287 1.00 22.48 C ATOM 1458 CG ASP A 95 31.176 2.175 -8.806 1.00 22.92 C ATOM 1459 OD1 ASP A 95 32.051 2.583 -9.596 1.00 23.34 O ATOM 1460 OD2 ASP A 95 31.049 2.605 -7.640 1.00 22.92 O ATOM 0 H ASP A 95 28.168 2.882 -9.469 1.00 21.37 H new ATOM 0 HA ASP A 95 30.068 1.632 -11.366 1.00 21.99 H new ATOM 0 HB2 ASP A 95 29.539 0.841 -8.477 1.00 22.48 H new ATOM 0 HB3 ASP A 95 30.782 0.206 -9.536 1.00 22.48 H new ATOM 1465 N GLY A 96 28.786 -0.676 -11.248 1.00 22.00 N ATOM 1466 CA GLY A 96 27.865 -1.752 -11.560 1.00 21.64 C ATOM 1467 C GLY A 96 27.783 -2.781 -10.449 1.00 21.55 C ATOM 1468 O GLY A 96 27.124 -3.810 -10.595 1.00 21.40 O ATOM 0 H GLY A 96 29.770 -0.899 -11.396 1.00 22.00 H new ATOM 0 HA2 GLY A 96 26.874 -1.337 -11.742 1.00 21.64 H new ATOM 0 HA3 GLY A 96 28.180 -2.241 -12.482 1.00 21.64 H new ATOM 1472 N ASP A 97 28.457 -2.500 -9.337 1.00 21.75 N ATOM 1473 CA ASP A 97 28.465 -3.409 -8.195 1.00 21.82 C ATOM 1474 C ASP A 97 27.059 -3.596 -7.630 1.00 20.80 C ATOM 1475 O ASP A 97 26.665 -4.708 -7.280 1.00 20.85 O ATOM 1476 CB ASP A 97 29.405 -2.887 -7.104 1.00 22.28 C ATOM 1477 CG ASP A 97 28.865 -1.653 -6.407 1.00 21.72 C ATOM 1478 OD1 ASP A 97 28.939 -0.558 -7.003 1.00 21.74 O ATOM 1479 OD2 ASP A 97 28.368 -1.779 -5.268 1.00 21.34 O ATOM 0 H ASP A 97 29.005 -1.650 -9.203 1.00 21.75 H new ATOM 0 HA ASP A 97 28.825 -4.378 -8.541 1.00 21.82 H new ATOM 0 HB2 ASP A 97 29.571 -3.672 -6.367 1.00 22.28 H new ATOM 0 HB3 ASP A 97 30.374 -2.655 -7.546 1.00 22.28 H new ATOM 1484 N GLY A 98 26.307 -2.500 -7.543 1.00 19.93 N ATOM 1485 CA GLY A 98 24.953 -2.569 -7.024 1.00 18.92 C ATOM 1486 C GLY A 98 24.767 -1.753 -5.758 1.00 18.54 C ATOM 1487 O GLY A 98 23.741 -1.868 -5.087 1.00 17.94 O ATOM 0 H GLY A 98 26.612 -1.568 -7.823 1.00 19.93 H new ATOM 0 HA2 GLY A 98 24.258 -2.214 -7.785 1.00 18.92 H new ATOM 0 HA3 GLY A 98 24.699 -3.609 -6.821 1.00 18.92 H new ATOM 1491 N PHE A 99 25.758 -0.930 -5.430 1.00 19.01 N ATOM 1492 CA PHE A 99 25.691 -0.092 -4.237 1.00 18.88 C ATOM 1493 C PHE A 99 26.211 1.312 -4.527 1.00 18.97 C ATOM 1494 O PHE A 99 27.069 1.501 -5.392 1.00 19.56 O ATOM 1495 CB PHE A 99 26.495 -0.716 -3.092 1.00 19.81 C ATOM 1496 CG PHE A 99 25.935 -2.021 -2.601 1.00 19.89 C ATOM 1497 CD1 PHE A 99 26.302 -3.217 -3.196 1.00 20.07 C ATOM 1498 CD2 PHE A 99 25.041 -2.051 -1.541 1.00 19.90 C ATOM 1499 CE1 PHE A 99 25.790 -4.419 -2.743 1.00 20.28 C ATOM 1500 CE2 PHE A 99 24.525 -3.249 -1.085 1.00 20.10 C ATOM 1501 CZ PHE A 99 24.900 -4.435 -1.687 1.00 20.30 C ATOM 0 H PHE A 99 26.616 -0.825 -5.972 1.00 19.01 H new ATOM 0 HA PHE A 99 24.645 -0.022 -3.939 1.00 18.88 H new ATOM 0 HB2 PHE A 99 27.521 -0.873 -3.424 1.00 19.81 H new ATOM 0 HB3 PHE A 99 26.533 -0.012 -2.261 1.00 19.81 H new ATOM 0 HD1 PHE A 99 26.996 -3.211 -4.023 1.00 20.07 H new ATOM 0 HD2 PHE A 99 24.745 -1.127 -1.066 1.00 19.90 H new ATOM 0 HE1 PHE A 99 26.086 -5.344 -3.215 1.00 20.28 H new ATOM 0 HE2 PHE A 99 23.829 -3.258 -0.259 1.00 20.10 H new ATOM 0 HZ PHE A 99 24.498 -5.373 -1.332 1.00 20.30 H new ATOM 1511 N ILE A 100 25.687 2.297 -3.798 1.00 18.48 N ATOM 1512 CA ILE A 100 26.099 3.682 -3.980 1.00 18.67 C ATOM 1513 C ILE A 100 26.805 4.219 -2.737 1.00 19.37 C ATOM 1514 O ILE A 100 26.396 3.946 -1.609 1.00 19.21 O ATOM 1515 CB ILE A 100 24.894 4.587 -4.300 1.00 17.64 C ATOM 1516 CG1 ILE A 100 24.080 3.999 -5.457 1.00 16.97 C ATOM 1517 CG2 ILE A 100 25.365 5.996 -4.638 1.00 18.04 C ATOM 1518 CD1 ILE A 100 22.780 4.728 -5.717 1.00 15.92 C ATOM 0 H ILE A 100 24.978 2.159 -3.078 1.00 18.48 H new ATOM 0 HA ILE A 100 26.792 3.696 -4.821 1.00 18.67 H new ATOM 0 HB ILE A 100 24.253 4.640 -3.420 1.00 17.64 H new ATOM 0 HG12 ILE A 100 24.686 4.020 -6.363 1.00 16.97 H new ATOM 0 HG13 ILE A 100 23.863 2.953 -5.242 1.00 16.97 H new ATOM 0 HG21 ILE A 100 24.503 6.624 -4.862 1.00 18.04 H new ATOM 0 HG22 ILE A 100 25.906 6.412 -3.788 1.00 18.04 H new ATOM 0 HG23 ILE A 100 26.023 5.961 -5.506 1.00 18.04 H new ATOM 0 HD11 ILE A 100 22.258 4.256 -6.549 1.00 15.92 H new ATOM 0 HD12 ILE A 100 22.154 4.685 -4.825 1.00 15.92 H new ATOM 0 HD13 ILE A 100 22.990 5.769 -5.964 1.00 15.92 H new ATOM 1530 N SER A 101 27.869 4.986 -2.959 1.00 20.25 N ATOM 1531 CA SER A 101 28.640 5.580 -1.871 1.00 21.07 C ATOM 1532 C SER A 101 28.514 7.101 -1.910 1.00 21.23 C ATOM 1533 O SER A 101 28.224 7.661 -2.963 1.00 20.98 O ATOM 1534 CB SER A 101 30.110 5.172 -1.971 1.00 22.16 C ATOM 1535 OG SER A 101 30.269 3.780 -1.761 1.00 22.49 O ATOM 0 H SER A 101 28.219 5.212 -3.890 1.00 20.25 H new ATOM 0 HA SER A 101 28.243 5.215 -0.924 1.00 21.07 H new ATOM 0 HB2 SER A 101 30.499 5.441 -2.953 1.00 22.16 H new ATOM 0 HB3 SER A 101 30.694 5.723 -1.234 1.00 22.16 H new ATOM 0 HG SER A 101 31.218 3.545 -1.832 1.00 22.49 H new ATOM 1541 N PRO A 102 28.720 7.794 -0.774 1.00 21.74 N ATOM 1542 CA PRO A 102 28.608 9.256 -0.716 1.00 22.05 C ATOM 1543 C PRO A 102 29.283 9.950 -1.898 1.00 22.55 C ATOM 1544 O PRO A 102 28.791 10.961 -2.401 1.00 22.43 O ATOM 1545 CB PRO A 102 29.317 9.601 0.592 1.00 23.00 C ATOM 1546 CG PRO A 102 29.088 8.411 1.458 1.00 22.78 C ATOM 1547 CD PRO A 102 29.088 7.218 0.535 1.00 22.19 C ATOM 0 HA PRO A 102 27.571 9.590 -0.762 1.00 22.05 H new ATOM 0 HB2 PRO A 102 30.381 9.779 0.433 1.00 23.00 H new ATOM 0 HB3 PRO A 102 28.906 10.505 1.041 1.00 23.00 H new ATOM 0 HG2 PRO A 102 29.870 8.321 2.212 1.00 22.78 H new ATOM 0 HG3 PRO A 102 28.140 8.492 1.990 1.00 22.78 H new ATOM 0 HD2 PRO A 102 30.065 6.737 0.501 1.00 22.19 H new ATOM 0 HD3 PRO A 102 28.372 6.462 0.856 1.00 22.19 H new ATOM 1555 N ALA A 103 30.406 9.395 -2.345 1.00 23.17 N ATOM 1556 CA ALA A 103 31.146 9.960 -3.472 1.00 23.77 C ATOM 1557 C ALA A 103 30.343 9.843 -4.763 1.00 23.02 C ATOM 1558 O ALA A 103 30.325 10.757 -5.589 1.00 23.22 O ATOM 1559 CB ALA A 103 32.483 9.254 -3.624 1.00 24.56 C ATOM 0 H ALA A 103 30.824 8.555 -1.945 1.00 23.17 H new ATOM 0 HA ALA A 103 31.320 11.017 -3.272 1.00 23.77 H new ATOM 0 HB1 ALA A 103 33.027 9.682 -4.466 1.00 24.56 H new ATOM 0 HB2 ALA A 103 33.067 9.381 -2.713 1.00 24.56 H new ATOM 0 HB3 ALA A 103 32.315 8.192 -3.802 1.00 24.56 H new ATOM 1565 N GLU A 104 29.676 8.708 -4.917 1.00 22.23 N ATOM 1566 CA GLU A 104 28.864 8.433 -6.091 1.00 21.53 C ATOM 1567 C GLU A 104 27.573 9.230 -6.034 1.00 20.75 C ATOM 1568 O GLU A 104 27.145 9.825 -7.024 1.00 20.59 O ATOM 1569 CB GLU A 104 28.542 6.940 -6.158 1.00 20.94 C ATOM 1570 CG GLU A 104 29.738 6.062 -6.487 1.00 21.74 C ATOM 1571 CD GLU A 104 29.358 4.603 -6.644 1.00 21.28 C ATOM 1572 OE1 GLU A 104 28.892 4.223 -7.740 1.00 20.84 O ATOM 1573 OE2 GLU A 104 29.527 3.837 -5.673 1.00 21.43 O ATOM 0 H GLU A 104 29.683 7.953 -4.231 1.00 22.23 H new ATOM 0 HA GLU A 104 29.422 8.724 -6.981 1.00 21.53 H new ATOM 0 HB2 GLU A 104 28.126 6.626 -5.201 1.00 20.94 H new ATOM 0 HB3 GLU A 104 27.769 6.779 -6.909 1.00 20.94 H new ATOM 0 HG2 GLU A 104 30.202 6.415 -7.408 1.00 21.74 H new ATOM 0 HG3 GLU A 104 30.484 6.158 -5.698 1.00 21.74 H new ATOM 1580 N LEU A 105 26.959 9.228 -4.859 1.00 20.36 N ATOM 1581 CA LEU A 105 25.718 9.944 -4.632 1.00 19.67 C ATOM 1582 C LEU A 105 25.874 11.406 -5.025 1.00 20.33 C ATOM 1583 O LEU A 105 25.078 11.948 -5.791 1.00 19.95 O ATOM 1584 CB LEU A 105 25.328 9.846 -3.157 1.00 19.42 C ATOM 1585 CG LEU A 105 23.860 10.134 -2.864 1.00 18.62 C ATOM 1586 CD1 LEU A 105 23.056 8.845 -2.868 1.00 17.90 C ATOM 1587 CD2 LEU A 105 23.710 10.858 -1.537 1.00 18.59 C ATOM 0 H LEU A 105 27.309 8.730 -4.040 1.00 20.36 H new ATOM 0 HA LEU A 105 24.936 9.496 -5.244 1.00 19.67 H new ATOM 0 HB2 LEU A 105 25.566 8.845 -2.798 1.00 19.42 H new ATOM 0 HB3 LEU A 105 25.942 10.543 -2.586 1.00 19.42 H new ATOM 0 HG LEU A 105 23.472 10.783 -3.649 1.00 18.62 H new ATOM 0 HD11 LEU A 105 22.010 9.068 -2.657 1.00 17.90 H new ATOM 0 HD12 LEU A 105 23.136 8.369 -3.846 1.00 17.90 H new ATOM 0 HD13 LEU A 105 23.444 8.171 -2.104 1.00 17.90 H new ATOM 0 HD21 LEU A 105 22.655 11.054 -1.347 1.00 18.59 H new ATOM 0 HD22 LEU A 105 24.114 10.238 -0.737 1.00 18.59 H new ATOM 0 HD23 LEU A 105 24.254 11.802 -1.574 1.00 18.59 H new ATOM 1599 N ARG A 106 26.917 12.029 -4.492 1.00 21.40 N ATOM 1600 CA ARG A 106 27.205 13.429 -4.762 1.00 22.20 C ATOM 1601 C ARG A 106 27.363 13.693 -6.258 1.00 22.44 C ATOM 1602 O ARG A 106 26.681 14.548 -6.819 1.00 22.57 O ATOM 1603 CB ARG A 106 28.482 13.849 -4.028 1.00 23.35 C ATOM 1604 CG ARG A 106 29.107 15.112 -4.586 1.00 24.22 C ATOM 1605 CD ARG A 106 30.313 15.555 -3.776 1.00 25.21 C ATOM 1606 NE ARG A 106 30.572 16.983 -3.925 1.00 25.76 N ATOM 1607 CZ ARG A 106 30.289 17.887 -2.990 1.00 26.69 C ATOM 1608 NH1 ARG A 106 29.739 17.511 -1.844 1.00 27.16 N ATOM 1609 NH2 ARG A 106 30.554 19.168 -3.205 1.00 27.19 N ATOM 0 H ARG A 106 27.583 11.580 -3.864 1.00 21.40 H new ATOM 0 HA ARG A 106 26.361 14.018 -4.403 1.00 22.20 H new ATOM 0 HB2 ARG A 106 28.253 14.001 -2.973 1.00 23.35 H new ATOM 0 HB3 ARG A 106 29.208 13.038 -4.083 1.00 23.35 H new ATOM 0 HG2 ARG A 106 29.407 14.942 -5.620 1.00 24.22 H new ATOM 0 HG3 ARG A 106 28.364 15.910 -4.597 1.00 24.22 H new ATOM 0 HD2 ARG A 106 30.149 15.323 -2.724 1.00 25.21 H new ATOM 0 HD3 ARG A 106 31.191 14.992 -4.093 1.00 25.21 H new ATOM 0 HE ARG A 106 30.994 17.307 -4.795 1.00 25.76 H new ATOM 0 HH11 ARG A 106 29.531 16.526 -1.677 1.00 27.16 H new ATOM 0 HH12 ARG A 106 29.523 18.206 -1.129 1.00 27.16 H new ATOM 0 HH21 ARG A 106 30.975 19.461 -4.087 1.00 27.19 H new ATOM 0 HH22 ARG A 106 30.337 19.861 -2.489 1.00 27.19 H new ATOM 1623 N PHE A 107 28.268 12.951 -6.891 1.00 22.61 N ATOM 1624 CA PHE A 107 28.548 13.110 -8.317 1.00 22.97 C ATOM 1625 C PHE A 107 27.273 13.197 -9.152 1.00 22.14 C ATOM 1626 O PHE A 107 27.164 14.040 -10.042 1.00 22.53 O ATOM 1627 CB PHE A 107 29.406 11.946 -8.815 1.00 23.24 C ATOM 1628 CG PHE A 107 29.991 12.172 -10.181 1.00 23.93 C ATOM 1629 CD1 PHE A 107 29.267 11.849 -11.317 1.00 24.48 C ATOM 1630 CD2 PHE A 107 31.262 12.711 -10.330 1.00 24.11 C ATOM 1631 CE1 PHE A 107 29.797 12.054 -12.576 1.00 25.19 C ATOM 1632 CE2 PHE A 107 31.797 12.918 -11.589 1.00 24.82 C ATOM 1633 CZ PHE A 107 31.083 12.592 -12.704 1.00 25.36 C ATOM 0 H PHE A 107 28.824 12.228 -6.435 1.00 22.61 H new ATOM 0 HA PHE A 107 29.087 14.050 -8.436 1.00 22.97 H new ATOM 0 HB2 PHE A 107 30.216 11.773 -8.106 1.00 23.24 H new ATOM 0 HB3 PHE A 107 28.800 11.040 -8.834 1.00 23.24 H new ATOM 0 HD1 PHE A 107 28.276 11.432 -11.217 1.00 24.48 H new ATOM 0 HD2 PHE A 107 31.839 12.971 -9.455 1.00 24.11 H new ATOM 0 HE1 PHE A 107 29.223 11.801 -13.455 1.00 25.19 H new ATOM 0 HE2 PHE A 107 32.786 13.340 -11.689 1.00 24.82 H new ATOM 0 HZ PHE A 107 31.509 12.749 -13.684 1.00 25.36 H new ATOM 1643 N VAL A 108 26.313 12.326 -8.864 1.00 21.06 N ATOM 1644 CA VAL A 108 25.062 12.297 -9.614 1.00 20.23 C ATOM 1645 C VAL A 108 24.196 13.523 -9.340 1.00 20.08 C ATOM 1646 O VAL A 108 23.790 14.216 -10.271 1.00 20.21 O ATOM 1647 CB VAL A 108 24.257 11.026 -9.306 1.00 19.12 C ATOM 1648 CG1 VAL A 108 23.048 10.923 -10.224 1.00 18.33 C ATOM 1649 CG2 VAL A 108 25.141 9.796 -9.436 1.00 19.13 C ATOM 0 H VAL A 108 26.376 11.632 -8.119 1.00 21.06 H new ATOM 0 HA VAL A 108 25.338 12.302 -10.668 1.00 20.23 H new ATOM 0 HB VAL A 108 23.898 11.083 -8.279 1.00 19.12 H new ATOM 0 HG11 VAL A 108 22.490 10.016 -9.991 1.00 18.33 H new ATOM 0 HG12 VAL A 108 22.406 11.792 -10.079 1.00 18.33 H new ATOM 0 HG13 VAL A 108 23.381 10.887 -11.261 1.00 18.33 H new ATOM 0 HG21 VAL A 108 24.557 8.903 -9.215 1.00 19.13 H new ATOM 0 HG22 VAL A 108 25.529 9.733 -10.452 1.00 19.13 H new ATOM 0 HG23 VAL A 108 25.972 9.869 -8.734 1.00 19.13 H new ATOM 1659 N MET A 109 23.903 13.784 -8.066 1.00 19.93 N ATOM 1660 CA MET A 109 23.081 14.934 -7.701 1.00 19.90 C ATOM 1661 C MET A 109 23.639 16.209 -8.323 1.00 20.93 C ATOM 1662 O MET A 109 22.887 17.086 -8.749 1.00 20.91 O ATOM 1663 CB MET A 109 23.001 15.078 -6.182 1.00 20.00 C ATOM 1664 CG MET A 109 22.116 14.035 -5.518 1.00 18.99 C ATOM 1665 SD MET A 109 22.207 14.101 -3.723 1.00 18.30 S ATOM 1666 CE MET A 109 23.897 13.569 -3.483 1.00 17.64 C ATOM 0 H MET A 109 24.220 13.220 -7.277 1.00 19.93 H new ATOM 0 HA MET A 109 22.075 14.770 -8.087 1.00 19.90 H new ATOM 0 HB2 MET A 109 24.006 15.008 -5.765 1.00 20.00 H new ATOM 0 HB3 MET A 109 22.623 16.071 -5.939 1.00 20.00 H new ATOM 0 HG2 MET A 109 21.083 14.185 -5.832 1.00 18.99 H new ATOM 0 HG3 MET A 109 22.411 13.042 -5.858 1.00 18.99 H new ATOM 0 HE1 MET A 109 24.083 13.415 -2.420 1.00 17.64 H new ATOM 0 HE2 MET A 109 24.064 12.635 -4.019 1.00 17.64 H new ATOM 0 HE3 MET A 109 24.576 14.332 -3.863 1.00 17.64 H new ATOM 1676 N ILE A 110 24.964 16.302 -8.371 1.00 21.91 N ATOM 1677 CA ILE A 110 25.630 17.456 -8.960 1.00 22.98 C ATOM 1678 C ILE A 110 25.329 17.531 -10.455 1.00 22.97 C ATOM 1679 O ILE A 110 25.171 18.616 -11.016 1.00 23.58 O ATOM 1680 CB ILE A 110 27.157 17.394 -8.744 1.00 24.01 C ATOM 1681 CG1 ILE A 110 27.486 17.493 -7.253 1.00 24.18 C ATOM 1682 CG2 ILE A 110 27.859 18.500 -9.520 1.00 25.13 C ATOM 1683 CD1 ILE A 110 28.967 17.392 -6.949 1.00 25.10 C ATOM 0 H ILE A 110 25.598 15.590 -8.008 1.00 21.91 H new ATOM 0 HA ILE A 110 25.248 18.349 -8.464 1.00 22.98 H new ATOM 0 HB ILE A 110 27.518 16.436 -9.118 1.00 24.01 H new ATOM 0 HG12 ILE A 110 27.109 18.441 -6.869 1.00 24.18 H new ATOM 0 HG13 ILE A 110 26.960 16.701 -6.720 1.00 24.18 H new ATOM 0 HG21 ILE A 110 28.934 18.436 -9.352 1.00 25.13 H new ATOM 0 HG22 ILE A 110 27.650 18.387 -10.584 1.00 25.13 H new ATOM 0 HG23 ILE A 110 27.496 19.470 -9.180 1.00 25.13 H new ATOM 0 HD11 ILE A 110 29.124 17.470 -5.873 1.00 25.10 H new ATOM 0 HD12 ILE A 110 29.346 16.433 -7.302 1.00 25.10 H new ATOM 0 HD13 ILE A 110 29.498 18.200 -7.453 1.00 25.10 H new ATOM 1695 N ASN A 111 25.249 16.364 -11.090 1.00 22.36 N ATOM 1696 CA ASN A 111 24.956 16.283 -12.515 1.00 22.40 C ATOM 1697 C ASN A 111 23.531 16.745 -12.794 1.00 21.78 C ATOM 1698 O ASN A 111 23.253 17.353 -13.829 1.00 22.21 O ATOM 1699 CB ASN A 111 25.139 14.848 -13.017 1.00 21.96 C ATOM 1700 CG ASN A 111 26.580 14.382 -12.943 1.00 22.60 C ATOM 1701 OD1 ASN A 111 27.514 15.307 -13.127 1.00 23.32 O flip ATOM 1702 ND2 ASN A 111 26.850 13.200 -12.728 1.00 22.44 N flip ATOM 0 H ASN A 111 25.384 15.460 -10.637 1.00 22.36 H new ATOM 0 HA ASN A 111 25.651 16.937 -13.043 1.00 22.40 H new ATOM 0 HB2 ASN A 111 24.514 14.178 -12.426 1.00 21.96 H new ATOM 0 HB3 ASN A 111 24.792 14.781 -14.048 1.00 21.96 H new ATOM 0 HD21 ASN A 111 26.100 12.522 -12.592 1.00 22.44 H new ATOM 0 HD22 ASN A 111 27.824 12.899 -12.686 1.00 22.44 H new ATOM 1709 N LEU A 112 22.633 16.449 -11.862 1.00 20.83 N ATOM 1710 CA LEU A 112 21.231 16.827 -11.996 1.00 20.19 C ATOM 1711 C LEU A 112 21.055 18.331 -11.813 1.00 20.95 C ATOM 1712 O LEU A 112 20.284 18.967 -12.531 1.00 21.07 O ATOM 1713 CB LEU A 112 20.381 16.070 -10.973 1.00 19.00 C ATOM 1714 CG LEU A 112 20.511 14.544 -11.018 1.00 18.25 C ATOM 1715 CD1 LEU A 112 19.700 13.907 -9.901 1.00 17.58 C ATOM 1716 CD2 LEU A 112 20.067 14.006 -12.371 1.00 17.84 C ATOM 0 H LEU A 112 22.852 15.946 -11.002 1.00 20.83 H new ATOM 0 HA LEU A 112 20.900 16.562 -13.000 1.00 20.19 H new ATOM 0 HB2 LEU A 112 20.652 16.412 -9.974 1.00 19.00 H new ATOM 0 HB3 LEU A 112 19.335 16.334 -11.127 1.00 19.00 H new ATOM 0 HG LEU A 112 21.560 14.286 -10.874 1.00 18.25 H new ATOM 0 HD11 LEU A 112 19.804 12.823 -9.948 1.00 17.58 H new ATOM 0 HD12 LEU A 112 20.064 14.265 -8.938 1.00 17.58 H new ATOM 0 HD13 LEU A 112 18.650 14.176 -10.015 1.00 17.58 H new ATOM 0 HD21 LEU A 112 20.167 12.921 -12.382 1.00 17.84 H new ATOM 0 HD22 LEU A 112 19.026 14.276 -12.546 1.00 17.84 H new ATOM 0 HD23 LEU A 112 20.690 14.436 -13.156 1.00 17.84 H new ATOM 1728 N GLY A 113 21.775 18.893 -10.846 1.00 21.57 N ATOM 1729 CA GLY A 113 21.687 20.318 -10.588 1.00 22.41 C ATOM 1730 C GLY A 113 21.442 20.630 -9.125 1.00 22.40 C ATOM 1731 O GLY A 113 21.408 21.797 -8.732 1.00 23.05 O ATOM 0 H GLY A 113 22.417 18.386 -10.237 1.00 21.57 H new ATOM 0 HA2 GLY A 113 22.611 20.800 -10.909 1.00 22.41 H new ATOM 0 HA3 GLY A 113 20.881 20.743 -11.187 1.00 22.41 H new ATOM 1735 N GLU A 114 21.273 19.589 -8.316 1.00 21.76 N ATOM 1736 CA GLU A 114 21.027 19.764 -6.890 1.00 21.80 C ATOM 1737 C GLU A 114 22.339 19.869 -6.118 1.00 22.59 C ATOM 1738 O GLU A 114 22.925 18.856 -5.734 1.00 22.48 O ATOM 1739 CB GLU A 114 20.197 18.598 -6.352 1.00 20.80 C ATOM 1740 CG GLU A 114 18.825 18.481 -6.996 1.00 20.26 C ATOM 1741 CD GLU A 114 17.974 19.717 -6.782 1.00 20.12 C ATOM 1742 OE1 GLU A 114 17.286 19.790 -5.742 1.00 20.27 O ATOM 1743 OE2 GLU A 114 17.997 20.612 -7.652 1.00 19.96 O ATOM 0 H GLU A 114 21.302 18.617 -8.624 1.00 21.76 H new ATOM 0 HA GLU A 114 20.473 20.692 -6.752 1.00 21.80 H new ATOM 0 HB2 GLU A 114 20.745 17.669 -6.511 1.00 20.80 H new ATOM 0 HB3 GLU A 114 20.075 18.716 -5.275 1.00 20.80 H new ATOM 0 HG2 GLU A 114 18.943 18.306 -8.065 1.00 20.26 H new ATOM 0 HG3 GLU A 114 18.308 17.613 -6.587 1.00 20.26 H new ATOM 1750 N LYS A 115 22.795 21.098 -5.897 1.00 23.45 N ATOM 1751 CA LYS A 115 24.037 21.329 -5.167 1.00 24.32 C ATOM 1752 C LYS A 115 23.907 20.858 -3.723 1.00 23.94 C ATOM 1753 O LYS A 115 23.064 21.348 -2.972 1.00 23.86 O ATOM 1754 CB LYS A 115 24.412 22.814 -5.204 1.00 25.48 C ATOM 1755 CG LYS A 115 25.692 23.142 -4.449 1.00 26.26 C ATOM 1756 CD LYS A 115 26.892 22.407 -5.028 1.00 26.75 C ATOM 1757 CE LYS A 115 28.185 22.832 -4.352 1.00 27.55 C ATOM 1758 NZ LYS A 115 28.476 24.276 -4.567 1.00 27.96 N ATOM 0 H LYS A 115 22.325 21.947 -6.212 1.00 23.45 H new ATOM 0 HA LYS A 115 24.828 20.755 -5.650 1.00 24.32 H new ATOM 0 HB2 LYS A 115 24.524 23.125 -6.243 1.00 25.48 H new ATOM 0 HB3 LYS A 115 23.593 23.397 -4.783 1.00 25.48 H new ATOM 0 HG2 LYS A 115 25.871 24.217 -4.486 1.00 26.26 H new ATOM 0 HG3 LYS A 115 25.574 22.875 -3.399 1.00 26.26 H new ATOM 0 HD2 LYS A 115 26.754 21.332 -4.909 1.00 26.75 H new ATOM 0 HD3 LYS A 115 26.958 22.603 -6.098 1.00 26.75 H new ATOM 0 HE2 LYS A 115 28.119 22.630 -3.283 1.00 27.55 H new ATOM 0 HE3 LYS A 115 29.010 22.234 -4.739 1.00 27.55 H new ATOM 0 HZ1 LYS A 115 29.476 24.465 -4.351 1.00 27.96 H new ATOM 0 HZ2 LYS A 115 28.283 24.525 -5.558 1.00 27.96 H new ATOM 0 HZ3 LYS A 115 27.873 24.848 -3.942 1.00 27.96 H new ATOM 1772 N VAL A 116 24.747 19.901 -3.345 1.00 23.78 N ATOM 1773 CA VAL A 116 24.725 19.354 -1.994 1.00 23.53 C ATOM 1774 C VAL A 116 26.134 19.158 -1.451 1.00 24.38 C ATOM 1775 O VAL A 116 27.089 18.998 -2.210 1.00 24.75 O ATOM 1776 CB VAL A 116 23.993 18.001 -1.951 1.00 22.24 C ATOM 1777 CG1 VAL A 116 22.490 18.196 -2.047 1.00 21.40 C ATOM 1778 CG2 VAL A 116 24.493 17.087 -3.059 1.00 21.91 C ATOM 0 H VAL A 116 25.452 19.488 -3.956 1.00 23.78 H new ATOM 0 HA VAL A 116 24.194 20.077 -1.375 1.00 23.53 H new ATOM 0 HB VAL A 116 24.209 17.526 -0.994 1.00 22.24 H new ATOM 0 HG11 VAL A 116 21.994 17.226 -2.015 1.00 21.40 H new ATOM 0 HG12 VAL A 116 22.148 18.806 -1.211 1.00 21.40 H new ATOM 0 HG13 VAL A 116 22.247 18.696 -2.984 1.00 21.40 H new ATOM 0 HG21 VAL A 116 23.964 16.135 -3.012 1.00 21.91 H new ATOM 0 HG22 VAL A 116 24.312 17.556 -4.026 1.00 21.91 H new ATOM 0 HG23 VAL A 116 25.562 16.914 -2.934 1.00 21.91 H new ATOM 1788 N THR A 117 26.251 19.172 -0.127 1.00 24.76 N ATOM 1789 CA THR A 117 27.538 18.985 0.529 1.00 25.62 C ATOM 1790 C THR A 117 27.702 17.541 0.984 1.00 25.03 C ATOM 1791 O THR A 117 26.728 16.880 1.342 1.00 24.12 O ATOM 1792 CB THR A 117 27.692 19.917 1.745 1.00 26.54 C ATOM 1793 OG1 THR A 117 26.631 19.686 2.678 1.00 25.98 O ATOM 1794 CG2 THR A 117 27.688 21.376 1.314 1.00 27.24 C ATOM 0 H THR A 117 25.469 19.311 0.512 1.00 24.76 H new ATOM 0 HA THR A 117 28.310 19.230 -0.200 1.00 25.62 H new ATOM 0 HB THR A 117 28.648 19.699 2.222 1.00 26.54 H new ATOM 0 HG1 THR A 117 26.738 20.282 3.449 1.00 25.98 H new ATOM 0 HG21 THR A 117 27.798 22.015 2.190 1.00 27.24 H new ATOM 0 HG22 THR A 117 28.516 21.555 0.628 1.00 27.24 H new ATOM 0 HG23 THR A 117 26.747 21.605 0.814 1.00 27.24 H new ATOM 1802 N ASP A 118 28.941 17.055 0.964 1.00 25.62 N ATOM 1803 CA ASP A 118 29.235 15.686 1.373 1.00 25.26 C ATOM 1804 C ASP A 118 28.685 15.400 2.768 1.00 25.12 C ATOM 1805 O ASP A 118 28.477 14.245 3.136 1.00 24.60 O ATOM 1806 CB ASP A 118 30.744 15.436 1.349 1.00 26.22 C ATOM 1807 CG ASP A 118 31.338 15.599 -0.037 1.00 26.44 C ATOM 1808 OD1 ASP A 118 31.219 14.656 -0.847 1.00 26.63 O ATOM 1809 OD2 ASP A 118 31.921 16.668 -0.312 1.00 26.51 O ATOM 0 H ASP A 118 29.757 17.590 0.668 1.00 25.62 H new ATOM 0 HA ASP A 118 28.749 15.013 0.666 1.00 25.26 H new ATOM 0 HB2 ASP A 118 31.234 16.127 2.034 1.00 26.22 H new ATOM 0 HB3 ASP A 118 30.948 14.429 1.712 1.00 26.22 H new ATOM 1814 N GLU A 119 28.455 16.459 3.538 1.00 25.66 N ATOM 1815 CA GLU A 119 27.930 16.323 4.892 1.00 25.70 C ATOM 1816 C GLU A 119 26.416 16.117 4.877 1.00 24.54 C ATOM 1817 O GLU A 119 25.902 15.192 5.505 1.00 24.02 O ATOM 1818 CB GLU A 119 28.278 17.558 5.724 1.00 26.79 C ATOM 1819 CG GLU A 119 29.773 17.784 5.884 1.00 27.99 C ATOM 1820 CD GLU A 119 30.460 16.648 6.617 1.00 28.61 C ATOM 1821 OE1 GLU A 119 30.850 15.663 5.954 1.00 28.61 O ATOM 1822 OE2 GLU A 119 30.607 16.742 7.853 1.00 29.14 O ATOM 0 H GLU A 119 28.624 17.422 3.247 1.00 25.66 H new ATOM 0 HA GLU A 119 28.392 15.445 5.344 1.00 25.70 H new ATOM 0 HB2 GLU A 119 27.834 18.437 5.257 1.00 26.79 H new ATOM 0 HB3 GLU A 119 27.826 17.460 6.711 1.00 26.79 H new ATOM 0 HG2 GLU A 119 30.226 17.903 4.900 1.00 27.99 H new ATOM 0 HG3 GLU A 119 29.940 18.715 6.426 1.00 27.99 H new ATOM 1829 N GLU A 120 25.711 16.984 4.155 1.00 24.19 N ATOM 1830 CA GLU A 120 24.256 16.900 4.070 1.00 23.13 C ATOM 1831 C GLU A 120 23.818 15.596 3.408 1.00 21.97 C ATOM 1832 O GLU A 120 22.784 15.023 3.764 1.00 21.17 O ATOM 1833 CB GLU A 120 23.693 18.114 3.316 1.00 23.10 C ATOM 1834 CG GLU A 120 23.743 17.998 1.799 1.00 22.97 C ATOM 1835 CD GLU A 120 22.450 17.457 1.218 1.00 23.00 C ATOM 1836 OE1 GLU A 120 21.533 18.264 0.960 1.00 23.55 O ATOM 1837 OE2 GLU A 120 22.353 16.227 1.025 1.00 22.54 O ATOM 0 H GLU A 120 26.122 17.750 3.622 1.00 24.19 H new ATOM 0 HA GLU A 120 23.855 16.907 5.083 1.00 23.13 H new ATOM 0 HB2 GLU A 120 22.658 18.267 3.621 1.00 23.10 H new ATOM 0 HB3 GLU A 120 24.249 19.002 3.618 1.00 23.10 H new ATOM 0 HG2 GLU A 120 23.950 18.978 1.369 1.00 22.97 H new ATOM 0 HG3 GLU A 120 24.568 17.345 1.514 1.00 22.97 H new ATOM 1844 N ILE A 121 24.615 15.119 2.458 1.00 21.93 N ATOM 1845 CA ILE A 121 24.296 13.883 1.756 1.00 20.94 C ATOM 1846 C ILE A 121 24.662 12.669 2.598 1.00 20.97 C ATOM 1847 O ILE A 121 23.971 11.651 2.564 1.00 20.10 O ATOM 1848 CB ILE A 121 25.000 13.801 0.388 1.00 21.05 C ATOM 1849 CG1 ILE A 121 26.518 13.721 0.547 1.00 22.23 C ATOM 1850 CG2 ILE A 121 24.627 15.009 -0.451 1.00 20.98 C ATOM 1851 CD1 ILE A 121 27.233 13.294 -0.718 1.00 22.33 C ATOM 0 H ILE A 121 25.481 15.567 2.158 1.00 21.93 H new ATOM 0 HA ILE A 121 23.220 13.886 1.583 1.00 20.94 H new ATOM 0 HB ILE A 121 24.669 12.891 -0.113 1.00 21.05 H new ATOM 0 HG12 ILE A 121 26.895 14.695 0.858 1.00 22.23 H new ATOM 0 HG13 ILE A 121 26.756 13.018 1.345 1.00 22.23 H new ATOM 0 HG21 ILE A 121 25.126 14.949 -1.418 1.00 20.98 H new ATOM 0 HG22 ILE A 121 23.547 15.029 -0.601 1.00 20.98 H new ATOM 0 HG23 ILE A 121 24.939 15.919 0.062 1.00 20.98 H new ATOM 0 HD11 ILE A 121 28.307 13.258 -0.535 1.00 22.33 H new ATOM 0 HD12 ILE A 121 26.883 12.306 -1.018 1.00 22.33 H new ATOM 0 HD13 ILE A 121 27.025 14.010 -1.513 1.00 22.33 H new ATOM 1863 N ASP A 122 25.748 12.781 3.357 1.00 22.05 N ATOM 1864 CA ASP A 122 26.185 11.689 4.215 1.00 22.30 C ATOM 1865 C ASP A 122 25.114 11.390 5.257 1.00 21.86 C ATOM 1866 O ASP A 122 24.946 10.248 5.685 1.00 21.46 O ATOM 1867 CB ASP A 122 27.505 12.041 4.903 1.00 23.63 C ATOM 1868 CG ASP A 122 28.014 10.920 5.787 1.00 24.02 C ATOM 1869 OD1 ASP A 122 27.615 10.868 6.970 1.00 24.29 O ATOM 1870 OD2 ASP A 122 28.813 10.094 5.298 1.00 24.14 O ATOM 0 H ASP A 122 26.337 13.613 3.394 1.00 22.05 H new ATOM 0 HA ASP A 122 26.343 10.803 3.600 1.00 22.30 H new ATOM 0 HB2 ASP A 122 28.255 12.272 4.147 1.00 23.63 H new ATOM 0 HB3 ASP A 122 27.370 12.940 5.504 1.00 23.63 H new ATOM 1875 N GLU A 123 24.394 12.433 5.662 1.00 22.03 N ATOM 1876 CA GLU A 123 23.325 12.293 6.643 1.00 21.74 C ATOM 1877 C GLU A 123 22.122 11.601 6.015 1.00 20.39 C ATOM 1878 O GLU A 123 21.553 10.677 6.595 1.00 20.02 O ATOM 1879 CB GLU A 123 22.914 13.661 7.189 1.00 22.27 C ATOM 1880 CG GLU A 123 23.988 14.326 8.036 1.00 23.66 C ATOM 1881 CD GLU A 123 24.296 13.548 9.300 1.00 24.40 C ATOM 1882 OE1 GLU A 123 25.177 12.665 9.254 1.00 24.71 O ATOM 1883 OE2 GLU A 123 23.656 13.823 10.338 1.00 24.74 O ATOM 0 H GLU A 123 24.533 13.385 5.324 1.00 22.03 H new ATOM 0 HA GLU A 123 23.694 11.685 7.469 1.00 21.74 H new ATOM 0 HB2 GLU A 123 22.664 14.316 6.354 1.00 22.27 H new ATOM 0 HB3 GLU A 123 22.010 13.548 7.787 1.00 22.27 H new ATOM 0 HG2 GLU A 123 24.899 14.430 7.446 1.00 23.66 H new ATOM 0 HG3 GLU A 123 23.665 15.332 8.302 1.00 23.66 H new ATOM 1890 N MET A 124 21.739 12.062 4.826 1.00 19.71 N ATOM 1891 CA MET A 124 20.610 11.479 4.110 1.00 18.41 C ATOM 1892 C MET A 124 20.814 9.979 3.920 1.00 17.96 C ATOM 1893 O MET A 124 19.874 9.194 4.047 1.00 17.13 O ATOM 1894 CB MET A 124 20.427 12.164 2.754 1.00 17.97 C ATOM 1895 CG MET A 124 19.399 11.487 1.861 1.00 16.63 C ATOM 1896 SD MET A 124 19.040 12.436 0.370 1.00 16.29 S ATOM 1897 CE MET A 124 20.657 12.496 -0.397 1.00 17.07 C ATOM 0 H MET A 124 22.193 12.835 4.340 1.00 19.71 H new ATOM 0 HA MET A 124 19.709 11.634 4.704 1.00 18.41 H new ATOM 0 HB2 MET A 124 20.128 13.199 2.917 1.00 17.97 H new ATOM 0 HB3 MET A 124 21.386 12.187 2.236 1.00 17.97 H new ATOM 0 HG2 MET A 124 19.763 10.499 1.579 1.00 16.63 H new ATOM 0 HG3 MET A 124 18.477 11.339 2.423 1.00 16.63 H new ATOM 0 HE1 MET A 124 20.566 12.260 -1.457 1.00 17.07 H new ATOM 0 HE2 MET A 124 21.077 13.495 -0.283 1.00 17.07 H new ATOM 0 HE3 MET A 124 21.314 11.769 0.081 1.00 17.07 H new ATOM 1907 N ILE A 125 22.048 9.591 3.614 1.00 18.60 N ATOM 1908 CA ILE A 125 22.381 8.185 3.420 1.00 18.41 C ATOM 1909 C ILE A 125 22.228 7.422 4.727 1.00 18.72 C ATOM 1910 O ILE A 125 21.716 6.305 4.752 1.00 18.18 O ATOM 1911 CB ILE A 125 23.821 8.016 2.899 1.00 19.25 C ATOM 1912 CG1 ILE A 125 23.967 8.687 1.531 1.00 19.04 C ATOM 1913 CG2 ILE A 125 24.193 6.540 2.817 1.00 19.27 C ATOM 1914 CD1 ILE A 125 25.380 8.663 0.987 1.00 19.95 C ATOM 0 H ILE A 125 22.833 10.231 3.495 1.00 18.60 H new ATOM 0 HA ILE A 125 21.693 7.784 2.676 1.00 18.41 H new ATOM 0 HB ILE A 125 24.504 8.498 3.598 1.00 19.25 H new ATOM 0 HG12 ILE A 125 23.306 8.191 0.821 1.00 19.04 H new ATOM 0 HG13 ILE A 125 23.634 9.722 1.607 1.00 19.04 H new ATOM 0 HG21 ILE A 125 25.214 6.442 2.447 1.00 19.27 H new ATOM 0 HG22 ILE A 125 24.122 6.091 3.808 1.00 19.27 H new ATOM 0 HG23 ILE A 125 23.510 6.030 2.138 1.00 19.27 H new ATOM 0 HD11 ILE A 125 25.404 9.157 0.015 1.00 19.95 H new ATOM 0 HD12 ILE A 125 26.044 9.185 1.676 1.00 19.95 H new ATOM 0 HD13 ILE A 125 25.710 7.630 0.878 1.00 19.95 H new ATOM 1926 N ARG A 126 22.682 8.040 5.811 1.00 19.67 N ATOM 1927 CA ARG A 126 22.595 7.435 7.135 1.00 20.18 C ATOM 1928 C ARG A 126 21.142 7.152 7.508 1.00 19.36 C ATOM 1929 O ARG A 126 20.849 6.192 8.220 1.00 19.42 O ATOM 1930 CB ARG A 126 23.233 8.359 8.175 1.00 21.37 C ATOM 1931 CG ARG A 126 23.122 7.846 9.600 1.00 22.05 C ATOM 1932 CD ARG A 126 23.688 8.847 10.593 1.00 22.88 C ATOM 1933 NE ARG A 126 23.579 8.374 11.970 1.00 23.53 N ATOM 1934 CZ ARG A 126 24.363 8.793 12.960 1.00 24.32 C ATOM 1935 NH1 ARG A 126 25.314 9.687 12.723 1.00 24.55 N ATOM 1936 NH2 ARG A 126 24.195 8.317 14.186 1.00 24.95 N ATOM 0 H ARG A 126 23.116 8.963 5.799 1.00 19.67 H new ATOM 0 HA ARG A 126 23.135 6.488 7.117 1.00 20.18 H new ATOM 0 HB2 ARG A 126 24.286 8.496 7.929 1.00 21.37 H new ATOM 0 HB3 ARG A 126 22.762 9.340 8.114 1.00 21.37 H new ATOM 0 HG2 ARG A 126 22.077 7.647 9.837 1.00 22.05 H new ATOM 0 HG3 ARG A 126 23.655 6.900 9.691 1.00 22.05 H new ATOM 0 HD2 ARG A 126 24.735 9.039 10.357 1.00 22.88 H new ATOM 0 HD3 ARG A 126 23.160 9.795 10.493 1.00 22.88 H new ATOM 0 HE ARG A 126 22.861 7.683 12.185 1.00 23.53 H new ATOM 0 HH11 ARG A 126 25.445 10.054 11.781 1.00 24.55 H new ATOM 0 HH12 ARG A 126 25.914 10.007 13.483 1.00 24.55 H new ATOM 0 HH21 ARG A 126 23.465 7.629 14.370 1.00 24.95 H new ATOM 0 HH22 ARG A 126 24.796 8.638 14.945 1.00 24.95 H new ATOM 1950 N GLU A 127 20.237 7.996 7.021 1.00 18.69 N ATOM 1951 CA GLU A 127 18.814 7.842 7.301 1.00 17.91 C ATOM 1952 C GLU A 127 18.201 6.741 6.441 1.00 16.85 C ATOM 1953 O GLU A 127 17.223 6.105 6.835 1.00 16.48 O ATOM 1954 CB GLU A 127 18.079 9.162 7.059 1.00 17.50 C ATOM 1955 CG GLU A 127 18.533 10.284 7.976 1.00 18.61 C ATOM 1956 CD GLU A 127 17.713 11.548 7.801 1.00 18.51 C ATOM 1957 OE1 GLU A 127 18.075 12.375 6.937 1.00 18.54 O ATOM 1958 OE2 GLU A 127 16.711 11.710 8.527 1.00 18.51 O ATOM 0 H GLU A 127 20.465 8.795 6.429 1.00 18.69 H new ATOM 0 HA GLU A 127 18.707 7.559 8.348 1.00 17.91 H new ATOM 0 HB2 GLU A 127 18.228 9.467 6.023 1.00 17.50 H new ATOM 0 HB3 GLU A 127 17.009 9.003 7.194 1.00 17.50 H new ATOM 0 HG2 GLU A 127 18.465 9.952 9.012 1.00 18.61 H new ATOM 0 HG3 GLU A 127 19.582 10.506 7.781 1.00 18.61 H new ATOM 1965 N ALA A 128 18.782 6.523 5.267 1.00 16.47 N ATOM 1966 CA ALA A 128 18.292 5.500 4.349 1.00 15.57 C ATOM 1967 C ALA A 128 19.018 4.179 4.565 1.00 16.23 C ATOM 1968 O ALA A 128 18.583 3.134 4.082 1.00 15.78 O ATOM 1969 CB ALA A 128 18.454 5.960 2.910 1.00 14.84 C ATOM 0 H ALA A 128 19.593 7.040 4.928 1.00 16.47 H new ATOM 0 HA ALA A 128 17.233 5.343 4.552 1.00 15.57 H new ATOM 0 HB1 ALA A 128 18.084 5.186 2.237 1.00 14.84 H new ATOM 0 HB2 ALA A 128 17.886 6.877 2.755 1.00 14.84 H new ATOM 0 HB3 ALA A 128 19.508 6.146 2.704 1.00 14.84 H new ATOM 1975 N ASP A 129 20.125 4.235 5.295 1.00 17.37 N ATOM 1976 CA ASP A 129 20.914 3.045 5.572 1.00 18.16 C ATOM 1977 C ASP A 129 20.626 2.525 6.975 1.00 18.88 C ATOM 1978 O ASP A 129 21.050 3.114 7.970 1.00 19.74 O ATOM 1979 CB ASP A 129 22.404 3.346 5.407 1.00 19.04 C ATOM 1980 CG ASP A 129 23.279 2.163 5.767 1.00 19.91 C ATOM 1981 OD1 ASP A 129 23.268 1.168 5.015 1.00 20.17 O ATOM 1982 OD2 ASP A 129 23.974 2.232 6.803 1.00 20.40 O ATOM 0 H ASP A 129 20.495 5.092 5.705 1.00 17.37 H new ATOM 0 HA ASP A 129 20.635 2.271 4.857 1.00 18.16 H new ATOM 0 HB2 ASP A 129 22.600 3.638 4.375 1.00 19.04 H new ATOM 0 HB3 ASP A 129 22.671 4.196 6.035 1.00 19.04 H new ATOM 1987 N PHE A 130 19.897 1.417 7.041 1.00 18.61 N ATOM 1988 CA PHE A 130 19.531 0.812 8.316 1.00 19.35 C ATOM 1989 C PHE A 130 20.533 -0.262 8.734 1.00 20.46 C ATOM 1990 O PHE A 130 20.908 -0.348 9.903 1.00 21.43 O ATOM 1991 CB PHE A 130 18.130 0.207 8.224 1.00 18.69 C ATOM 1992 CG PHE A 130 17.079 1.193 7.800 1.00 17.66 C ATOM 1993 CD1 PHE A 130 16.409 1.960 8.740 1.00 17.35 C ATOM 1994 CD2 PHE A 130 16.760 1.352 6.461 1.00 17.07 C ATOM 1995 CE1 PHE A 130 15.442 2.867 8.353 1.00 16.46 C ATOM 1996 CE2 PHE A 130 15.792 2.258 6.068 1.00 16.17 C ATOM 1997 CZ PHE A 130 15.137 3.022 7.017 1.00 15.86 C ATOM 0 H PHE A 130 19.547 0.918 6.223 1.00 18.61 H new ATOM 0 HA PHE A 130 19.542 1.596 9.073 1.00 19.35 H new ATOM 0 HB2 PHE A 130 18.146 -0.622 7.516 1.00 18.69 H new ATOM 0 HB3 PHE A 130 17.857 -0.208 9.194 1.00 18.69 H new ATOM 0 HD1 PHE A 130 16.646 1.847 9.788 1.00 17.35 H new ATOM 0 HD2 PHE A 130 17.273 0.762 5.716 1.00 17.07 H new ATOM 0 HE1 PHE A 130 14.925 3.455 9.097 1.00 16.46 H new ATOM 0 HE2 PHE A 130 15.548 2.369 5.022 1.00 16.17 H new ATOM 0 HZ PHE A 130 14.388 3.738 6.712 1.00 15.86 H new ATOM 2007 N ASP A 131 20.962 -1.077 7.774 1.00 20.37 N ATOM 2008 CA ASP A 131 21.918 -2.148 8.051 1.00 21.43 C ATOM 2009 C ASP A 131 23.188 -1.596 8.689 1.00 22.32 C ATOM 2010 O ASP A 131 23.887 -2.302 9.416 1.00 23.37 O ATOM 2011 CB ASP A 131 22.271 -2.906 6.771 1.00 21.16 C ATOM 2012 CG ASP A 131 21.400 -2.511 5.593 1.00 20.32 C ATOM 2013 OD1 ASP A 131 20.275 -3.043 5.482 1.00 19.96 O ATOM 2014 OD2 ASP A 131 21.842 -1.670 4.783 1.00 20.09 O ATOM 0 H ASP A 131 20.665 -1.018 6.800 1.00 20.37 H new ATOM 0 HA ASP A 131 21.446 -2.837 8.751 1.00 21.43 H new ATOM 0 HB2 ASP A 131 23.316 -2.722 6.522 1.00 21.16 H new ATOM 0 HB3 ASP A 131 22.170 -3.977 6.949 1.00 21.16 H new ATOM 2019 N GLY A 132 23.478 -0.329 8.410 1.00 21.94 N ATOM 2020 CA GLY A 132 24.662 0.303 8.962 1.00 22.81 C ATOM 2021 C GLY A 132 25.931 -0.131 8.257 1.00 23.39 C ATOM 2022 O GLY A 132 26.813 -0.734 8.868 1.00 24.32 O ATOM 0 H GLY A 132 22.913 0.272 7.810 1.00 21.94 H new ATOM 0 HA2 GLY A 132 24.561 1.386 8.888 1.00 22.81 H new ATOM 0 HA3 GLY A 132 24.738 0.062 10.022 1.00 22.81 H new ATOM 2026 N ASP A 133 26.027 0.180 6.967 1.00 22.90 N ATOM 2027 CA ASP A 133 27.196 -0.188 6.176 1.00 23.47 C ATOM 2028 C ASP A 133 27.736 1.009 5.396 1.00 23.33 C ATOM 2029 O ASP A 133 28.730 0.895 4.679 1.00 23.88 O ATOM 2030 CB ASP A 133 26.846 -1.327 5.218 1.00 23.07 C ATOM 2031 CG ASP A 133 25.587 -1.047 4.422 1.00 21.88 C ATOM 2032 OD1 ASP A 133 24.486 -1.325 4.935 1.00 21.56 O ATOM 2033 OD2 ASP A 133 25.704 -0.548 3.283 1.00 21.33 O ATOM 0 H ASP A 133 25.309 0.686 6.448 1.00 22.90 H new ATOM 0 HA ASP A 133 27.975 -0.523 6.861 1.00 23.47 H new ATOM 0 HB2 ASP A 133 27.677 -1.490 4.532 1.00 23.07 H new ATOM 0 HB3 ASP A 133 26.716 -2.248 5.786 1.00 23.07 H new ATOM 2038 N GLY A 134 27.074 2.154 5.540 1.00 22.67 N ATOM 2039 CA GLY A 134 27.505 3.355 4.846 1.00 22.60 C ATOM 2040 C GLY A 134 27.342 3.253 3.342 1.00 21.81 C ATOM 2041 O GLY A 134 27.950 4.017 2.593 1.00 21.94 O ATOM 0 H GLY A 134 26.247 2.271 6.125 1.00 22.67 H new ATOM 0 HA2 GLY A 134 26.932 4.207 5.212 1.00 22.60 H new ATOM 0 HA3 GLY A 134 28.551 3.550 5.081 1.00 22.60 H new ATOM 2045 N MET A 135 26.521 2.308 2.901 1.00 21.09 N ATOM 2046 CA MET A 135 26.276 2.109 1.476 1.00 20.37 C ATOM 2047 C MET A 135 24.783 1.945 1.217 1.00 19.18 C ATOM 2048 O MET A 135 24.033 1.540 2.106 1.00 19.03 O ATOM 2049 CB MET A 135 27.045 0.888 0.967 1.00 20.92 C ATOM 2050 CG MET A 135 28.523 0.912 1.324 1.00 22.12 C ATOM 2051 SD MET A 135 29.445 -0.445 0.578 1.00 22.91 S ATOM 2052 CE MET A 135 29.370 0.008 -1.152 1.00 22.22 C ATOM 0 H MET A 135 26.013 1.666 3.509 1.00 21.09 H new ATOM 0 HA MET A 135 26.629 2.987 0.935 1.00 20.37 H new ATOM 0 HB2 MET A 135 26.594 -0.014 1.380 1.00 20.92 H new ATOM 0 HB3 MET A 135 26.942 0.829 -0.116 1.00 20.92 H new ATOM 0 HG2 MET A 135 28.955 1.859 1.001 1.00 22.12 H new ATOM 0 HG3 MET A 135 28.631 0.866 2.408 1.00 22.12 H new ATOM 0 HE1 MET A 135 28.953 -0.819 -1.727 1.00 22.22 H new ATOM 0 HE2 MET A 135 28.738 0.888 -1.271 1.00 22.22 H new ATOM 0 HE3 MET A 135 30.374 0.231 -1.513 1.00 22.22 H new ATOM 2062 N ILE A 136 24.354 2.257 -0.002 1.00 18.41 N ATOM 2063 CA ILE A 136 22.943 2.157 -0.355 1.00 17.25 C ATOM 2064 C ILE A 136 22.689 1.082 -1.402 1.00 16.93 C ATOM 2065 O ILE A 136 23.505 0.846 -2.292 1.00 17.36 O ATOM 2066 CB ILE A 136 22.398 3.498 -0.890 1.00 16.55 C ATOM 2067 CG1 ILE A 136 22.517 4.591 0.179 1.00 16.94 C ATOM 2068 CG2 ILE A 136 20.949 3.348 -1.348 1.00 15.33 C ATOM 2069 CD1 ILE A 136 21.716 4.313 1.436 1.00 16.79 C ATOM 0 H ILE A 136 24.959 2.579 -0.757 1.00 18.41 H new ATOM 0 HA ILE A 136 22.423 1.889 0.565 1.00 17.25 H new ATOM 0 HB ILE A 136 22.998 3.793 -1.751 1.00 16.55 H new ATOM 0 HG12 ILE A 136 23.567 4.709 0.448 1.00 16.94 H new ATOM 0 HG13 ILE A 136 22.188 5.539 -0.247 1.00 16.94 H new ATOM 0 HG21 ILE A 136 20.585 4.305 -1.721 1.00 15.33 H new ATOM 0 HG22 ILE A 136 20.894 2.604 -2.142 1.00 15.33 H new ATOM 0 HG23 ILE A 136 20.333 3.028 -0.508 1.00 15.33 H new ATOM 0 HD11 ILE A 136 21.852 5.131 2.143 1.00 16.79 H new ATOM 0 HD12 ILE A 136 20.660 4.225 1.182 1.00 16.79 H new ATOM 0 HD13 ILE A 136 22.059 3.382 1.888 1.00 16.79 H new ATOM 2081 N ASN A 137 21.537 0.441 -1.275 1.00 16.28 N ATOM 2082 CA ASN A 137 21.107 -0.595 -2.199 1.00 16.03 C ATOM 2083 C ASN A 137 19.812 -0.153 -2.869 1.00 14.85 C ATOM 2084 O ASN A 137 19.124 0.721 -2.345 1.00 14.21 O ATOM 2085 CB ASN A 137 20.904 -1.924 -1.469 1.00 16.50 C ATOM 2086 CG ASN A 137 20.527 -3.048 -2.412 1.00 16.54 C ATOM 2087 OD1 ASN A 137 19.230 -3.217 -2.643 1.00 16.44 O flip ATOM 2088 ND2 ASN A 137 21.391 -3.756 -2.929 1.00 16.82 N flip ATOM 0 H ASN A 137 20.872 0.626 -0.524 1.00 16.28 H new ATOM 0 HA ASN A 137 21.878 -0.746 -2.955 1.00 16.03 H new ATOM 0 HB2 ASN A 137 21.820 -2.189 -0.940 1.00 16.50 H new ATOM 0 HB3 ASN A 137 20.124 -1.807 -0.717 1.00 16.50 H new ATOM 0 HD21 ASN A 137 22.376 -3.591 -2.723 1.00 16.82 H new ATOM 0 HD22 ASN A 137 21.122 -4.508 -3.563 1.00 16.82 H new ATOM 2095 N TYR A 138 19.495 -0.722 -4.028 1.00 14.65 N ATOM 2096 CA TYR A 138 18.277 -0.362 -4.755 1.00 13.62 C ATOM 2097 C TYR A 138 17.090 -0.128 -3.809 1.00 12.81 C ATOM 2098 O TYR A 138 16.186 0.642 -4.123 1.00 11.86 O ATOM 2099 CB TYR A 138 17.941 -1.463 -5.771 1.00 13.81 C ATOM 2100 CG TYR A 138 16.486 -1.512 -6.185 1.00 12.91 C ATOM 2101 CD1 TYR A 138 15.909 -0.452 -6.874 1.00 12.17 C ATOM 2102 CD2 TYR A 138 15.690 -2.612 -5.887 1.00 12.92 C ATOM 2103 CE1 TYR A 138 14.582 -0.486 -7.254 1.00 11.46 C ATOM 2104 CE2 TYR A 138 14.362 -2.652 -6.266 1.00 12.20 C ATOM 2105 CZ TYR A 138 13.811 -1.615 -6.939 1.00 11.46 C ATOM 2106 OH TYR A 138 12.491 -1.624 -7.325 1.00 10.87 O ATOM 0 H TYR A 138 20.063 -1.435 -4.486 1.00 14.65 H new ATOM 0 HA TYR A 138 18.462 0.577 -5.277 1.00 13.62 H new ATOM 0 HB2 TYR A 138 18.554 -1.318 -6.661 1.00 13.81 H new ATOM 0 HB3 TYR A 138 18.218 -2.428 -5.347 1.00 13.81 H new ATOM 0 HD1 TYR A 138 16.509 0.413 -7.116 1.00 12.17 H new ATOM 0 HD2 TYR A 138 16.116 -3.448 -5.351 1.00 12.92 H new ATOM 0 HE1 TYR A 138 14.144 0.345 -7.786 1.00 11.46 H new ATOM 0 HE2 TYR A 138 13.760 -3.516 -6.024 1.00 12.20 H new ATOM 0 HH TYR A 138 12.352 -0.958 -8.031 1.00 10.87 H new ATOM 2116 N GLU A 139 17.111 -0.764 -2.641 1.00 13.28 N ATOM 2117 CA GLU A 139 16.023 -0.614 -1.677 1.00 12.75 C ATOM 2118 C GLU A 139 16.172 0.677 -0.877 1.00 12.57 C ATOM 2119 O GLU A 139 15.265 1.513 -0.853 1.00 11.70 O ATOM 2120 CB GLU A 139 15.984 -1.816 -0.730 1.00 13.59 C ATOM 2121 CG GLU A 139 15.717 -3.138 -1.433 1.00 13.94 C ATOM 2122 CD GLU A 139 15.723 -4.316 -0.478 1.00 14.48 C ATOM 2123 OE1 GLU A 139 16.811 -4.883 -0.243 1.00 14.68 O ATOM 2124 OE2 GLU A 139 14.641 -4.669 0.034 1.00 14.82 O ATOM 0 H GLU A 139 17.863 -1.384 -2.340 1.00 13.28 H new ATOM 0 HA GLU A 139 15.086 -0.566 -2.232 1.00 12.75 H new ATOM 0 HB2 GLU A 139 16.934 -1.881 -0.200 1.00 13.59 H new ATOM 0 HB3 GLU A 139 15.211 -1.651 0.021 1.00 13.59 H new ATOM 0 HG2 GLU A 139 14.752 -3.089 -1.938 1.00 13.94 H new ATOM 0 HG3 GLU A 139 16.472 -3.295 -2.203 1.00 13.94 H new ATOM 2131 N GLU A 140 17.322 0.838 -0.230 1.00 13.49 N ATOM 2132 CA GLU A 140 17.591 2.031 0.565 1.00 13.65 C ATOM 2133 C GLU A 140 17.547 3.275 -0.319 1.00 13.01 C ATOM 2134 O GLU A 140 17.290 4.384 0.153 1.00 12.80 O ATOM 2135 CB GLU A 140 18.955 1.911 1.251 1.00 14.90 C ATOM 2136 CG GLU A 140 19.080 0.685 2.141 1.00 15.69 C ATOM 2137 CD GLU A 140 20.519 0.357 2.486 1.00 16.90 C ATOM 2138 OE1 GLU A 140 21.255 -0.109 1.591 1.00 17.35 O ATOM 2139 OE2 GLU A 140 20.911 0.564 3.652 1.00 17.46 O ATOM 0 H GLU A 140 18.082 0.158 -0.241 1.00 13.49 H new ATOM 0 HA GLU A 140 16.822 2.123 1.332 1.00 13.65 H new ATOM 0 HB2 GLU A 140 19.734 1.878 0.490 1.00 14.90 H new ATOM 0 HB3 GLU A 140 19.132 2.804 1.850 1.00 14.90 H new ATOM 0 HG2 GLU A 140 18.519 0.850 3.061 1.00 15.69 H new ATOM 0 HG3 GLU A 140 18.627 -0.170 1.640 1.00 15.69 H new ATOM 2146 N PHE A 141 17.789 3.070 -1.610 1.00 12.87 N ATOM 2147 CA PHE A 141 17.780 4.156 -2.581 1.00 12.46 C ATOM 2148 C PHE A 141 16.351 4.604 -2.869 1.00 11.27 C ATOM 2149 O PHE A 141 16.019 5.781 -2.727 1.00 11.00 O ATOM 2150 CB PHE A 141 18.462 3.702 -3.876 1.00 12.80 C ATOM 2151 CG PHE A 141 18.415 4.725 -4.974 1.00 12.57 C ATOM 2152 CD1 PHE A 141 19.335 5.758 -5.016 1.00 12.93 C ATOM 2153 CD2 PHE A 141 17.448 4.654 -5.962 1.00 12.17 C ATOM 2154 CE1 PHE A 141 19.290 6.704 -6.020 1.00 12.93 C ATOM 2155 CE2 PHE A 141 17.398 5.593 -6.970 1.00 12.17 C ATOM 2156 CZ PHE A 141 18.321 6.622 -6.999 1.00 12.56 C ATOM 0 H PHE A 141 17.995 2.154 -2.009 1.00 12.87 H new ATOM 0 HA PHE A 141 18.329 5.001 -2.166 1.00 12.46 H new ATOM 0 HB2 PHE A 141 19.503 3.459 -3.662 1.00 12.80 H new ATOM 0 HB3 PHE A 141 17.986 2.786 -4.225 1.00 12.80 H new ATOM 0 HD1 PHE A 141 20.097 5.825 -4.254 1.00 12.93 H new ATOM 0 HD2 PHE A 141 16.724 3.853 -5.943 1.00 12.17 H new ATOM 0 HE1 PHE A 141 20.012 7.507 -6.039 1.00 12.93 H new ATOM 0 HE2 PHE A 141 16.639 5.525 -7.736 1.00 12.17 H new ATOM 0 HZ PHE A 141 18.284 7.360 -7.786 1.00 12.56 H new ATOM 2166 N VAL A 142 15.516 3.654 -3.279 1.00 10.70 N ATOM 2167 CA VAL A 142 14.114 3.929 -3.583 1.00 9.58 C ATOM 2168 C VAL A 142 13.449 4.729 -2.468 1.00 9.23 C ATOM 2169 O VAL A 142 12.619 5.607 -2.724 1.00 8.50 O ATOM 2170 CB VAL A 142 13.327 2.619 -3.807 1.00 9.36 C ATOM 2171 CG1 VAL A 142 11.826 2.879 -3.816 1.00 8.32 C ATOM 2172 CG2 VAL A 142 13.758 1.960 -5.105 1.00 9.69 C ATOM 0 H VAL A 142 15.788 2.680 -3.409 1.00 10.70 H new ATOM 0 HA VAL A 142 14.098 4.519 -4.499 1.00 9.58 H new ATOM 0 HB VAL A 142 13.549 1.944 -2.980 1.00 9.36 H new ATOM 0 HG11 VAL A 142 11.295 1.940 -3.975 1.00 8.32 H new ATOM 0 HG12 VAL A 142 11.525 3.308 -2.860 1.00 8.32 H new ATOM 0 HG13 VAL A 142 11.582 3.575 -4.619 1.00 8.32 H new ATOM 0 HG21 VAL A 142 13.195 1.038 -5.249 1.00 9.69 H new ATOM 0 HG22 VAL A 142 13.566 2.637 -5.938 1.00 9.69 H new ATOM 0 HG23 VAL A 142 14.823 1.732 -5.061 1.00 9.69 H new ATOM 2182 N TRP A 143 13.820 4.431 -1.230 1.00 9.94 N ATOM 2183 CA TRP A 143 13.241 5.115 -0.083 1.00 9.97 C ATOM 2184 C TRP A 143 13.704 6.569 0.019 1.00 10.29 C ATOM 2185 O TRP A 143 12.882 7.482 0.067 1.00 9.82 O ATOM 2186 CB TRP A 143 13.582 4.377 1.215 1.00 10.95 C ATOM 2187 CG TRP A 143 12.888 4.950 2.411 1.00 11.20 C ATOM 2188 CD1 TRP A 143 11.706 4.546 2.962 1.00 10.93 C ATOM 2189 CD2 TRP A 143 13.339 6.051 3.191 1.00 11.97 C ATOM 2190 NE1 TRP A 143 11.396 5.340 4.042 1.00 11.51 N ATOM 2191 CE2 TRP A 143 12.389 6.274 4.201 1.00 12.15 C ATOM 2192 CE3 TRP A 143 14.460 6.867 3.123 1.00 12.67 C ATOM 2193 CZ2 TRP A 143 12.531 7.291 5.140 1.00 13.01 C ATOM 2194 CZ3 TRP A 143 14.607 7.877 4.051 1.00 13.49 C ATOM 2195 CH2 TRP A 143 13.646 8.083 5.050 1.00 13.66 C ATOM 0 H TRP A 143 14.516 3.723 -0.995 1.00 9.94 H new ATOM 0 HA TRP A 143 12.161 5.116 -0.231 1.00 9.97 H new ATOM 0 HB2 TRP A 143 13.310 3.327 1.112 1.00 10.95 H new ATOM 0 HB3 TRP A 143 14.660 4.413 1.375 1.00 10.95 H new ATOM 0 HD1 TRP A 143 11.103 3.725 2.603 1.00 10.93 H new ATOM 0 HE1 TRP A 143 10.566 5.250 4.628 1.00 11.51 H new ATOM 0 HE3 TRP A 143 15.205 6.714 2.356 1.00 12.67 H new ATOM 0 HZ2 TRP A 143 11.791 7.450 5.910 1.00 13.01 H new ATOM 0 HZ3 TRP A 143 15.475 8.518 4.007 1.00 13.49 H new ATOM 0 HH2 TRP A 143 13.787 8.882 5.763 1.00 13.66 H new ATOM 2206 N MET A 144 15.017 6.784 0.045 1.00 11.22 N ATOM 2207 CA MET A 144 15.565 8.134 0.193 1.00 11.83 C ATOM 2208 C MET A 144 15.247 9.049 -0.988 1.00 11.29 C ATOM 2209 O MET A 144 15.272 10.271 -0.845 1.00 11.65 O ATOM 2210 CB MET A 144 17.074 8.081 0.428 1.00 13.01 C ATOM 2211 CG MET A 144 17.868 7.563 -0.754 1.00 13.05 C ATOM 2212 SD MET A 144 19.647 7.703 -0.493 1.00 14.50 S ATOM 2213 CE MET A 144 20.272 6.958 -1.994 1.00 14.50 C ATOM 0 H MET A 144 15.719 6.048 -0.034 1.00 11.22 H new ATOM 0 HA MET A 144 15.075 8.567 1.065 1.00 11.83 H new ATOM 0 HB2 MET A 144 17.427 9.081 0.678 1.00 13.01 H new ATOM 0 HB3 MET A 144 17.274 7.447 1.292 1.00 13.01 H new ATOM 0 HG2 MET A 144 17.610 6.519 -0.934 1.00 13.05 H new ATOM 0 HG3 MET A 144 17.589 8.119 -1.649 1.00 13.05 H new ATOM 0 HE1 MET A 144 21.334 6.744 -1.879 1.00 14.50 H new ATOM 0 HE2 MET A 144 19.734 6.031 -2.191 1.00 14.50 H new ATOM 0 HE3 MET A 144 20.129 7.645 -2.828 1.00 14.50 H new ATOM 2223 N ILE A 145 14.952 8.475 -2.148 1.00 10.61 N ATOM 2224 CA ILE A 145 14.641 9.284 -3.324 1.00 10.28 C ATOM 2225 C ILE A 145 13.199 9.780 -3.306 1.00 9.33 C ATOM 2226 O ILE A 145 12.934 10.945 -3.599 1.00 9.45 O ATOM 2227 CB ILE A 145 14.891 8.517 -4.626 1.00 10.17 C ATOM 2228 CG1 ILE A 145 14.039 7.253 -4.666 1.00 9.32 C ATOM 2229 CG2 ILE A 145 16.367 8.183 -4.759 1.00 11.25 C ATOM 2230 CD1 ILE A 145 14.148 6.492 -5.967 1.00 9.30 C ATOM 0 H ILE A 145 14.921 7.467 -2.301 1.00 10.61 H new ATOM 0 HA ILE A 145 15.311 10.143 -3.285 1.00 10.28 H new ATOM 0 HB ILE A 145 14.605 9.145 -5.470 1.00 10.17 H new ATOM 0 HG12 ILE A 145 14.335 6.599 -3.846 1.00 9.32 H new ATOM 0 HG13 ILE A 145 12.996 7.522 -4.498 1.00 9.32 H new ATOM 0 HG21 ILE A 145 16.534 7.638 -5.688 1.00 11.25 H new ATOM 0 HG22 ILE A 145 16.949 9.105 -4.769 1.00 11.25 H new ATOM 0 HG23 ILE A 145 16.678 7.567 -3.915 1.00 11.25 H new ATOM 0 HD11 ILE A 145 13.516 5.605 -5.924 1.00 9.30 H new ATOM 0 HD12 ILE A 145 13.824 7.129 -6.790 1.00 9.30 H new ATOM 0 HD13 ILE A 145 15.184 6.192 -6.127 1.00 9.30 H new ATOM 2242 N SER A 146 12.267 8.891 -2.969 1.00 8.54 N ATOM 2243 CA SER A 146 10.857 9.257 -2.911 1.00 7.66 C ATOM 2244 C SER A 146 10.644 10.292 -1.820 1.00 8.22 C ATOM 2245 O SER A 146 9.600 10.941 -1.745 1.00 7.89 O ATOM 2246 CB SER A 146 9.993 8.023 -2.642 1.00 6.98 C ATOM 2247 OG SER A 146 10.352 7.407 -1.417 1.00 6.80 O ATOM 0 H SER A 146 12.463 7.918 -2.734 1.00 8.54 H new ATOM 0 HA SER A 146 10.562 9.680 -3.871 1.00 7.66 H new ATOM 0 HB2 SER A 146 8.942 8.310 -2.614 1.00 6.98 H new ATOM 0 HB3 SER A 146 10.107 7.310 -3.459 1.00 6.98 H new ATOM 0 HG SER A 146 11.067 6.756 -1.575 1.00 6.80 H new ATOM 2253 N GLN A 147 11.656 10.430 -0.974 1.00 9.26 N ATOM 2254 CA GLN A 147 11.622 11.363 0.137 1.00 10.11 C ATOM 2255 C GLN A 147 12.829 12.295 0.081 1.00 11.05 C ATOM 2256 O GLN A 147 13.207 12.908 1.080 1.00 11.87 O ATOM 2257 CB GLN A 147 11.617 10.574 1.446 1.00 10.77 C ATOM 2258 CG GLN A 147 10.903 9.234 1.329 1.00 10.15 C ATOM 2259 CD GLN A 147 9.405 9.347 1.531 1.00 9.47 C ATOM 2260 OE1 GLN A 147 8.934 10.166 2.321 1.00 10.00 O ATOM 2261 NE2 GLN A 147 8.644 8.535 0.803 1.00 8.44 N ATOM 0 H GLN A 147 12.523 9.897 -1.041 1.00 9.26 H new ATOM 0 HA GLN A 147 10.720 11.973 0.077 1.00 10.11 H new ATOM 0 HB2 GLN A 147 12.645 10.405 1.766 1.00 10.77 H new ATOM 0 HB3 GLN A 147 11.135 11.170 2.221 1.00 10.77 H new ATOM 0 HG2 GLN A 147 11.101 8.806 0.346 1.00 10.15 H new ATOM 0 HG3 GLN A 147 11.313 8.543 2.066 1.00 10.15 H new ATOM 0 HE21 GLN A 147 9.076 7.871 0.160 1.00 8.44 H new ATOM 0 HE22 GLN A 147 7.628 8.576 0.887 1.00 8.44 H new ATOM 2270 N LYS A 148 13.426 12.390 -1.104 1.00 11.08 N ATOM 2271 CA LYS A 148 14.600 13.229 -1.323 1.00 12.08 C ATOM 2272 C LYS A 148 14.212 14.702 -1.416 1.00 12.24 C ATOM 2273 O LYS A 148 14.256 15.392 -0.376 1.00 12.44 O ATOM 2274 CB LYS A 148 15.315 12.789 -2.603 1.00 12.12 C ATOM 2275 CG LYS A 148 16.815 13.047 -2.598 1.00 12.94 C ATOM 2276 CD LYS A 148 17.532 12.198 -3.641 1.00 13.10 C ATOM 2277 CE LYS A 148 17.118 12.571 -5.056 1.00 13.06 C ATOM 2278 NZ LYS A 148 17.436 13.991 -5.371 1.00 13.68 N ATOM 2279 OXT LYS A 148 13.866 15.152 -2.529 1.00 12.34 O ATOM 0 H LYS A 148 13.111 11.890 -1.936 1.00 11.08 H new ATOM 0 HA LYS A 148 15.273 13.112 -0.473 1.00 12.08 H new ATOM 0 HB2 LYS A 148 15.141 11.724 -2.756 1.00 12.12 H new ATOM 0 HB3 LYS A 148 14.871 13.309 -3.452 1.00 12.12 H new ATOM 0 HG2 LYS A 148 17.004 14.102 -2.794 1.00 12.94 H new ATOM 0 HG3 LYS A 148 17.219 12.829 -1.610 1.00 12.94 H new ATOM 0 HD2 LYS A 148 18.609 12.323 -3.533 1.00 13.10 H new ATOM 0 HD3 LYS A 148 17.314 11.145 -3.464 1.00 13.10 H new ATOM 0 HE2 LYS A 148 17.626 11.919 -5.767 1.00 13.06 H new ATOM 0 HE3 LYS A 148 16.048 12.403 -5.177 1.00 13.06 H new ATOM 0 HZ1 LYS A 148 17.380 14.140 -6.399 1.00 13.68 H new ATOM 0 HZ2 LYS A 148 16.754 14.614 -4.893 1.00 13.68 H new ATOM 0 HZ3 LYS A 148 18.397 14.213 -5.041 1.00 13.68 H new TER 2293 LYS A 148 HETATM 2294 CA CA A 149 28.771 1.840 -6.945 1.00 20.82 CA HETATM 2295 CA CA A 150 23.175 -0.290 3.244 1.00 19.22 CA HETATM 2296 CA CA A 151 -21.441 -2.584 8.054 1.00 0.33 CA