USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1070 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 124 MET CE :methyl -109:sc= -0.688 (180deg=-2.98!) USER MOD Set 2.1: A 101 SER OG : rot 180:sc= -0.213 USER MOD Set 2.2: A 135 MET CE :methyl -115:sc= -0.112 (180deg=-1.83) USER MOD Set 3.1: A 41 GLN : amide:sc= -1.47 K(o=-2.5,f=-7.8!) USER MOD Set 3.2: A 72 MET CE :methyl -145:sc= -0.766 (180deg=-0.413) USER MOD Set 3.3: A 76 MET CE :methyl -125:sc= -0.24 (180deg=0) USER MOD Set 4.1: A 36 MET CE :methyl 151:sc= -0.0346 (180deg=-0.229) USER MOD Set 4.2: A 75 GLN : amide:sc= -4.01! C(o=-4!,f=-5.3!) USER MOD Set 5.1: A 24 THR OG1 : rot 62:sc= -0.648 USER MOD Set 5.2: A 62 GLN :FLIP amide:sc= -2.03 F(o=-9.5!,f=-2.7) USER MOD Single : A 5 THR OG1 : rot -170:sc= -0.803 USER MOD Single : A 8 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.42) USER MOD Single : A 13 LYS NZ :NH3+ -111:sc= 0 (180deg=-1.47) USER MOD Single : A 18 GLN : amide:sc= -0.159 K(o=-0.16,f=-0.9) USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= -0.07 (180deg=-0.377) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -19:sc= 0.332 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -22:sc= 0.45 USER MOD Single : A 42 ASN : amide:sc= -0.522 X(o=-0.52,f=-0.055) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0794 K(o=-0.079,f=-0.69) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.419 F(o=-1.4,f=-0.42) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.209 F(o=-0.72,f=-0.21) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.013 F(o=-1.3,f=-0.013) USER MOD Single : A 60 ASN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 64 ASN : amide:sc= -2.98! C(o=-3!,f=-6.7!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0816 USER MOD Single : A 69 CYS SG : rot 64:sc= -1.04! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 30:sc= 0.0955 USER MOD Single : A 85 MET CE :methyl 150:sc= -2.1 (180deg=-4.04) USER MOD Single : A 90 LYS NZ :NH3+ 171:sc= -0.0147 (180deg=-0.153) USER MOD Single : A 111 ASN : amide:sc= -1.69 X(o=-1.7,f=-1.4) USER MOD Single : A 115 LYS NZ :NH3+ 168:sc= -0.0123 (180deg=-0.129) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0845 USER MOD Single : A 137 ASN : amide:sc= -0.531 K(o=-0.53,f=-5.7!) USER MOD Single : A 138 TYR OH : rot 150:sc= 0 USER MOD Single : A 144 MET CE :methyl 132:sc= -2.43 (180deg=-2.78!) USER MOD Single : A 146 SER OG : rot -17:sc= 0.203 USER MOD Single : A 147 GLN :FLIP amide:sc= 0 F(o=-2.2!,f=0) USER MOD Single : A 148 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0358) USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 4 -1.031 8.071 2.576 1.00 0.73 N ATOM 28 CA LEU A 4 -2.230 8.370 3.351 1.00 0.45 C ATOM 29 C LEU A 4 -1.926 9.396 4.440 1.00 0.47 C ATOM 30 O LEU A 4 -1.546 9.037 5.555 1.00 0.58 O ATOM 31 CB LEU A 4 -2.796 7.091 3.981 1.00 0.41 C ATOM 32 CG LEU A 4 -3.039 5.931 3.009 1.00 0.50 C ATOM 33 CD1 LEU A 4 -3.602 4.728 3.747 1.00 1.27 C ATOM 34 CD2 LEU A 4 -3.977 6.354 1.890 1.00 1.19 C ATOM 0 HA LEU A 4 -2.975 8.789 2.674 1.00 0.45 H new ATOM 0 HB2 LEU A 4 -2.109 6.754 4.758 1.00 0.41 H new ATOM 0 HB3 LEU A 4 -3.738 7.334 4.472 1.00 0.41 H new ATOM 0 HG LEU A 4 -2.083 5.650 2.567 1.00 0.50 H new ATOM 0 HD11 LEU A 4 -3.769 3.914 3.042 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -2.895 4.407 4.512 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -4.547 4.999 4.218 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -4.136 5.516 1.212 1.00 1.19 H new ATOM 0 HD22 LEU A 4 -4.932 6.664 2.314 1.00 1.19 H new ATOM 0 HD23 LEU A 4 -3.536 7.186 1.341 1.00 1.19 H new ATOM 46 N THR A 5 -2.098 10.673 4.110 1.00 0.47 N ATOM 47 CA THR A 5 -1.836 11.751 5.056 1.00 0.54 C ATOM 48 C THR A 5 -2.997 11.933 6.029 1.00 0.51 C ATOM 49 O THR A 5 -3.916 11.119 6.070 1.00 0.55 O ATOM 50 CB THR A 5 -1.576 13.086 4.333 1.00 0.62 C ATOM 51 OG1 THR A 5 -2.741 13.477 3.596 1.00 1.12 O ATOM 52 CG2 THR A 5 -0.389 12.970 3.389 1.00 0.99 C ATOM 0 H THR A 5 -2.418 10.986 3.193 1.00 0.47 H new ATOM 0 HA THR A 5 -0.943 11.466 5.612 1.00 0.54 H new ATOM 0 HB THR A 5 -1.349 13.842 5.084 1.00 0.62 H new ATOM 0 HG1 THR A 5 -2.522 14.236 3.016 1.00 1.12 H new ATOM 0 HG21 THR A 5 -0.226 13.926 2.891 1.00 0.99 H new ATOM 0 HG22 THR A 5 0.502 12.700 3.956 1.00 0.99 H new ATOM 0 HG23 THR A 5 -0.591 12.201 2.643 1.00 0.99 H new ATOM 60 N GLU A 6 -2.948 13.008 6.809 1.00 0.60 N ATOM 61 CA GLU A 6 -3.995 13.295 7.785 1.00 0.62 C ATOM 62 C GLU A 6 -5.321 13.608 7.098 1.00 0.55 C ATOM 63 O GLU A 6 -6.368 13.082 7.477 1.00 0.53 O ATOM 64 CB GLU A 6 -3.580 14.470 8.673 1.00 0.75 C ATOM 65 CG GLU A 6 -2.246 14.265 9.372 1.00 1.46 C ATOM 66 CD GLU A 6 -1.865 15.439 10.254 1.00 1.74 C ATOM 67 OE1 GLU A 6 -2.237 15.431 11.446 1.00 2.00 O ATOM 68 OE2 GLU A 6 -1.196 16.367 9.752 1.00 2.20 O ATOM 0 H GLU A 6 -2.195 13.695 6.785 1.00 0.60 H new ATOM 0 HA GLU A 6 -4.132 12.406 8.401 1.00 0.62 H new ATOM 0 HB2 GLU A 6 -3.527 15.373 8.065 1.00 0.75 H new ATOM 0 HB3 GLU A 6 -4.352 14.637 9.424 1.00 0.75 H new ATOM 0 HG2 GLU A 6 -2.292 13.360 9.978 1.00 1.46 H new ATOM 0 HG3 GLU A 6 -1.468 14.109 8.625 1.00 1.46 H new ATOM 75 N GLU A 7 -5.269 14.464 6.083 1.00 0.58 N ATOM 76 CA GLU A 7 -6.464 14.858 5.346 1.00 0.58 C ATOM 77 C GLU A 7 -6.966 13.716 4.472 1.00 0.48 C ATOM 78 O GLU A 7 -8.172 13.504 4.343 1.00 0.46 O ATOM 79 CB GLU A 7 -6.171 16.086 4.482 1.00 0.69 C ATOM 80 CG GLU A 7 -5.097 15.853 3.432 1.00 0.69 C ATOM 81 CD GLU A 7 -4.774 17.106 2.642 1.00 1.02 C ATOM 82 OE1 GLU A 7 -5.545 17.441 1.718 1.00 1.19 O ATOM 83 OE2 GLU A 7 -3.752 17.754 2.950 1.00 1.35 O ATOM 0 H GLU A 7 -4.408 14.900 5.751 1.00 0.58 H new ATOM 0 HA GLU A 7 -7.242 15.106 6.069 1.00 0.58 H new ATOM 0 HB2 GLU A 7 -7.090 16.398 3.986 1.00 0.69 H new ATOM 0 HB3 GLU A 7 -5.863 16.908 5.128 1.00 0.69 H new ATOM 0 HG2 GLU A 7 -4.191 15.491 3.918 1.00 0.69 H new ATOM 0 HG3 GLU A 7 -5.426 15.071 2.748 1.00 0.69 H new ATOM 90 N GLN A 8 -6.034 12.986 3.873 1.00 0.44 N ATOM 91 CA GLN A 8 -6.377 11.865 3.011 1.00 0.37 C ATOM 92 C GLN A 8 -7.064 10.763 3.809 1.00 0.31 C ATOM 93 O GLN A 8 -8.067 10.202 3.369 1.00 0.29 O ATOM 94 CB GLN A 8 -5.122 11.324 2.329 1.00 0.40 C ATOM 95 CG GLN A 8 -4.490 12.311 1.360 1.00 0.48 C ATOM 96 CD GLN A 8 -5.404 12.656 0.201 1.00 1.35 C ATOM 97 OE1 GLN A 8 -6.182 13.607 0.271 1.00 2.22 O ATOM 98 NE2 GLN A 8 -5.314 11.881 -0.875 1.00 1.68 N ATOM 0 H GLN A 8 -5.032 13.152 3.969 1.00 0.44 H new ATOM 0 HA GLN A 8 -7.070 12.216 2.246 1.00 0.37 H new ATOM 0 HB2 GLN A 8 -4.390 11.055 3.091 1.00 0.40 H new ATOM 0 HB3 GLN A 8 -5.374 10.410 1.792 1.00 0.40 H new ATOM 0 HG2 GLN A 8 -4.228 13.224 1.896 1.00 0.48 H new ATOM 0 HG3 GLN A 8 -3.562 11.891 0.973 1.00 0.48 H new ATOM 0 HE21 GLN A 8 -4.655 11.103 -0.889 1.00 1.68 H new ATOM 0 HE22 GLN A 8 -5.904 12.064 -1.686 1.00 1.68 H new ATOM 107 N ILE A 9 -6.520 10.457 4.983 1.00 0.33 N ATOM 108 CA ILE A 9 -7.093 9.427 5.838 1.00 0.33 C ATOM 109 C ILE A 9 -8.528 9.777 6.205 1.00 0.34 C ATOM 110 O ILE A 9 -9.433 8.959 6.050 1.00 0.36 O ATOM 111 CB ILE A 9 -6.260 9.221 7.122 1.00 0.42 C ATOM 112 CG1 ILE A 9 -4.981 8.448 6.793 1.00 0.44 C ATOM 113 CG2 ILE A 9 -7.074 8.488 8.183 1.00 0.51 C ATOM 114 CD1 ILE A 9 -4.030 8.323 7.962 1.00 0.54 C ATOM 0 H ILE A 9 -5.686 10.907 5.362 1.00 0.33 H new ATOM 0 HA ILE A 9 -7.081 8.494 5.275 1.00 0.33 H new ATOM 0 HB ILE A 9 -5.988 10.197 7.524 1.00 0.42 H new ATOM 0 HG12 ILE A 9 -5.249 7.450 6.445 1.00 0.44 H new ATOM 0 HG13 ILE A 9 -4.468 8.945 5.970 1.00 0.44 H new ATOM 0 HG21 ILE A 9 -6.467 8.354 9.079 1.00 0.51 H new ATOM 0 HG22 ILE A 9 -7.961 9.072 8.429 1.00 0.51 H new ATOM 0 HG23 ILE A 9 -7.377 7.513 7.800 1.00 0.51 H new ATOM 0 HD11 ILE A 9 -3.147 7.763 7.654 1.00 0.54 H new ATOM 0 HD12 ILE A 9 -3.732 9.317 8.296 1.00 0.54 H new ATOM 0 HD13 ILE A 9 -4.525 7.799 8.779 1.00 0.54 H new ATOM 126 N ALA A 10 -8.727 10.997 6.681 1.00 0.36 N ATOM 127 CA ALA A 10 -10.052 11.460 7.068 1.00 0.40 C ATOM 128 C ALA A 10 -10.967 11.581 5.854 1.00 0.35 C ATOM 129 O ALA A 10 -12.193 11.586 5.984 1.00 0.36 O ATOM 130 CB ALA A 10 -9.944 12.797 7.787 1.00 0.50 C ATOM 0 H ALA A 10 -7.986 11.686 6.809 1.00 0.36 H new ATOM 0 HA ALA A 10 -10.489 10.726 7.744 1.00 0.40 H new ATOM 0 HB1 ALA A 10 -10.939 13.137 8.074 1.00 0.50 H new ATOM 0 HB2 ALA A 10 -9.329 12.682 8.679 1.00 0.50 H new ATOM 0 HB3 ALA A 10 -9.487 13.531 7.124 1.00 0.50 H new ATOM 136 N GLU A 11 -10.365 11.662 4.669 1.00 0.33 N ATOM 137 CA GLU A 11 -11.126 11.804 3.433 1.00 0.33 C ATOM 138 C GLU A 11 -11.863 10.517 3.067 1.00 0.27 C ATOM 139 O GLU A 11 -13.085 10.524 2.907 1.00 0.28 O ATOM 140 CB GLU A 11 -10.199 12.220 2.287 1.00 0.37 C ATOM 141 CG GLU A 11 -10.924 12.452 0.970 1.00 0.41 C ATOM 142 CD GLU A 11 -9.986 12.868 -0.147 1.00 1.27 C ATOM 143 OE1 GLU A 11 -9.761 14.086 -0.310 1.00 1.19 O ATOM 144 OE2 GLU A 11 -9.476 11.977 -0.857 1.00 2.27 O ATOM 0 H GLU A 11 -9.354 11.632 4.540 1.00 0.33 H new ATOM 0 HA GLU A 11 -11.874 12.580 3.596 1.00 0.33 H new ATOM 0 HB2 GLU A 11 -9.674 13.133 2.569 1.00 0.37 H new ATOM 0 HB3 GLU A 11 -9.443 11.448 2.145 1.00 0.37 H new ATOM 0 HG2 GLU A 11 -11.445 11.539 0.681 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -11.683 13.222 1.108 1.00 0.41 H new ATOM 151 N PHE A 12 -11.132 9.409 2.943 1.00 0.23 N ATOM 152 CA PHE A 12 -11.761 8.141 2.592 1.00 0.22 C ATOM 153 C PHE A 12 -12.437 7.517 3.805 1.00 0.19 C ATOM 154 O PHE A 12 -13.408 6.773 3.669 1.00 0.20 O ATOM 155 CB PHE A 12 -10.755 7.166 1.969 1.00 0.26 C ATOM 156 CG PHE A 12 -9.583 6.822 2.846 1.00 0.25 C ATOM 157 CD1 PHE A 12 -9.728 5.953 3.916 1.00 0.31 C ATOM 158 CD2 PHE A 12 -8.333 7.356 2.587 1.00 0.27 C ATOM 159 CE1 PHE A 12 -8.649 5.628 4.712 1.00 0.37 C ATOM 160 CE2 PHE A 12 -7.252 7.036 3.379 1.00 0.30 C ATOM 161 CZ PHE A 12 -7.410 6.170 4.444 1.00 0.35 C ATOM 0 H PHE A 12 -10.122 9.365 3.078 1.00 0.23 H new ATOM 0 HA PHE A 12 -12.525 8.350 1.843 1.00 0.22 H new ATOM 0 HB2 PHE A 12 -11.277 6.246 1.707 1.00 0.26 H new ATOM 0 HB3 PHE A 12 -10.381 7.596 1.040 1.00 0.26 H new ATOM 0 HD1 PHE A 12 -10.697 5.525 4.129 1.00 0.31 H new ATOM 0 HD2 PHE A 12 -8.203 8.031 1.754 1.00 0.27 H new ATOM 0 HE1 PHE A 12 -8.775 4.950 5.543 1.00 0.37 H new ATOM 0 HE2 PHE A 12 -6.282 7.462 3.168 1.00 0.30 H new ATOM 0 HZ PHE A 12 -6.564 5.918 5.066 1.00 0.35 H new ATOM 171 N LYS A 13 -11.920 7.819 4.993 1.00 0.19 N ATOM 172 CA LYS A 13 -12.501 7.304 6.222 1.00 0.22 C ATOM 173 C LYS A 13 -13.929 7.816 6.356 1.00 0.21 C ATOM 174 O LYS A 13 -14.822 7.098 6.813 1.00 0.23 O ATOM 175 CB LYS A 13 -11.655 7.723 7.429 1.00 0.28 C ATOM 176 CG LYS A 13 -12.343 7.524 8.769 1.00 0.32 C ATOM 177 CD LYS A 13 -12.583 6.052 9.058 1.00 0.33 C ATOM 178 CE LYS A 13 -13.170 5.849 10.444 1.00 0.48 C ATOM 179 NZ LYS A 13 -14.511 6.480 10.577 1.00 1.23 N ATOM 0 H LYS A 13 -11.103 8.415 5.127 1.00 0.19 H new ATOM 0 HA LYS A 13 -12.517 6.215 6.188 1.00 0.22 H new ATOM 0 HB2 LYS A 13 -10.725 7.154 7.422 1.00 0.28 H new ATOM 0 HB3 LYS A 13 -11.386 8.774 7.323 1.00 0.28 H new ATOM 0 HG2 LYS A 13 -11.732 7.956 9.561 1.00 0.32 H new ATOM 0 HG3 LYS A 13 -13.294 8.057 8.774 1.00 0.32 H new ATOM 0 HD2 LYS A 13 -13.260 5.638 8.310 1.00 0.33 H new ATOM 0 HD3 LYS A 13 -11.644 5.505 8.975 1.00 0.33 H new ATOM 0 HE2 LYS A 13 -13.249 4.782 10.652 1.00 0.48 H new ATOM 0 HE3 LYS A 13 -12.495 6.270 11.189 1.00 0.48 H new ATOM 0 HZ1 LYS A 13 -14.449 7.294 11.221 1.00 1.23 H new ATOM 0 HZ2 LYS A 13 -14.838 6.802 9.643 1.00 1.23 H new ATOM 0 HZ3 LYS A 13 -15.185 5.786 10.959 1.00 1.23 H new ATOM 193 N ASP A 14 -14.135 9.065 5.948 1.00 0.23 N ATOM 194 CA ASP A 14 -15.457 9.672 5.988 1.00 0.25 C ATOM 195 C ASP A 14 -16.353 9.009 4.947 1.00 0.22 C ATOM 196 O ASP A 14 -17.470 8.585 5.245 1.00 0.23 O ATOM 197 CB ASP A 14 -15.362 11.177 5.718 1.00 0.31 C ATOM 198 CG ASP A 14 -16.677 11.890 5.956 1.00 0.37 C ATOM 199 OD1 ASP A 14 -17.003 12.159 7.131 1.00 0.44 O ATOM 200 OD2 ASP A 14 -17.381 12.185 4.966 1.00 0.41 O ATOM 0 H ASP A 14 -13.402 9.675 5.586 1.00 0.23 H new ATOM 0 HA ASP A 14 -15.885 9.526 6.980 1.00 0.25 H new ATOM 0 HB2 ASP A 14 -14.595 11.611 6.360 1.00 0.31 H new ATOM 0 HB3 ASP A 14 -15.045 11.339 4.688 1.00 0.31 H new ATOM 205 N ALA A 15 -15.842 8.918 3.723 1.00 0.22 N ATOM 206 CA ALA A 15 -16.575 8.298 2.628 1.00 0.24 C ATOM 207 C ALA A 15 -16.850 6.825 2.925 1.00 0.22 C ATOM 208 O ALA A 15 -17.677 6.193 2.269 1.00 0.29 O ATOM 209 CB ALA A 15 -15.796 8.440 1.329 1.00 0.27 C ATOM 0 H ALA A 15 -14.919 9.268 3.465 1.00 0.22 H new ATOM 0 HA ALA A 15 -17.532 8.808 2.522 1.00 0.24 H new ATOM 0 HB1 ALA A 15 -16.354 7.973 0.517 1.00 0.27 H new ATOM 0 HB2 ALA A 15 -15.649 9.497 1.107 1.00 0.27 H new ATOM 0 HB3 ALA A 15 -14.827 7.952 1.431 1.00 0.27 H new ATOM 215 N PHE A 16 -16.147 6.290 3.920 1.00 0.20 N ATOM 216 CA PHE A 16 -16.298 4.893 4.310 1.00 0.22 C ATOM 217 C PHE A 16 -17.525 4.706 5.195 1.00 0.22 C ATOM 218 O PHE A 16 -18.371 3.852 4.926 1.00 0.25 O ATOM 219 CB PHE A 16 -15.035 4.418 5.037 1.00 0.26 C ATOM 220 CG PHE A 16 -15.191 3.112 5.764 1.00 0.31 C ATOM 221 CD1 PHE A 16 -15.063 1.910 5.084 1.00 0.38 C ATOM 222 CD2 PHE A 16 -15.469 3.084 7.121 1.00 0.37 C ATOM 223 CE1 PHE A 16 -15.210 0.706 5.745 1.00 0.46 C ATOM 224 CE2 PHE A 16 -15.619 1.882 7.786 1.00 0.45 C ATOM 225 CZ PHE A 16 -15.470 0.701 7.118 1.00 0.48 C ATOM 0 H PHE A 16 -15.464 6.807 4.473 1.00 0.20 H new ATOM 0 HA PHE A 16 -16.438 4.293 3.411 1.00 0.22 H new ATOM 0 HB2 PHE A 16 -14.227 4.322 4.311 1.00 0.26 H new ATOM 0 HB3 PHE A 16 -14.732 5.184 5.751 1.00 0.26 H new ATOM 0 HD1 PHE A 16 -14.846 1.915 4.026 1.00 0.38 H new ATOM 0 HD2 PHE A 16 -15.570 4.012 7.665 1.00 0.37 H new ATOM 0 HE1 PHE A 16 -15.125 -0.225 5.204 1.00 0.46 H new ATOM 0 HE2 PHE A 16 -15.855 1.877 8.840 1.00 0.45 H new ATOM 0 HZ PHE A 16 -15.553 -0.235 7.650 1.00 0.48 H new ATOM 235 N VAL A 17 -17.619 5.509 6.249 1.00 0.22 N ATOM 236 CA VAL A 17 -18.749 5.425 7.165 1.00 0.23 C ATOM 237 C VAL A 17 -20.036 5.835 6.467 1.00 0.23 C ATOM 238 O VAL A 17 -21.135 5.511 6.918 1.00 0.26 O ATOM 239 CB VAL A 17 -18.541 6.310 8.408 1.00 0.30 C ATOM 240 CG1 VAL A 17 -17.469 5.719 9.310 1.00 1.11 C ATOM 241 CG2 VAL A 17 -18.181 7.730 8.001 1.00 0.91 C ATOM 0 H VAL A 17 -16.930 6.222 6.489 1.00 0.22 H new ATOM 0 HA VAL A 17 -18.823 4.387 7.488 1.00 0.23 H new ATOM 0 HB VAL A 17 -19.476 6.344 8.966 1.00 0.30 H new ATOM 0 HG11 VAL A 17 -17.336 6.358 10.183 1.00 1.11 H new ATOM 0 HG12 VAL A 17 -17.773 4.723 9.632 1.00 1.11 H new ATOM 0 HG13 VAL A 17 -16.529 5.652 8.762 1.00 1.11 H new ATOM 0 HG21 VAL A 17 -18.038 8.339 8.894 1.00 0.91 H new ATOM 0 HG22 VAL A 17 -17.260 7.719 7.418 1.00 0.91 H new ATOM 0 HG23 VAL A 17 -18.986 8.151 7.399 1.00 0.91 H new ATOM 251 N GLN A 18 -19.886 6.554 5.361 1.00 0.24 N ATOM 252 CA GLN A 18 -21.027 7.011 4.581 1.00 0.29 C ATOM 253 C GLN A 18 -21.790 5.836 3.969 1.00 0.32 C ATOM 254 O GLN A 18 -22.966 5.965 3.625 1.00 0.43 O ATOM 255 CB GLN A 18 -20.561 7.958 3.476 1.00 0.33 C ATOM 256 CG GLN A 18 -20.208 9.351 3.971 1.00 0.34 C ATOM 257 CD GLN A 18 -21.406 10.101 4.517 1.00 1.09 C ATOM 258 OE1 GLN A 18 -22.538 9.885 4.086 1.00 1.54 O ATOM 259 NE2 GLN A 18 -21.160 10.991 5.471 1.00 1.60 N ATOM 0 H GLN A 18 -18.980 6.834 4.984 1.00 0.24 H new ATOM 0 HA GLN A 18 -21.702 7.541 5.253 1.00 0.29 H new ATOM 0 HB2 GLN A 18 -19.690 7.526 2.983 1.00 0.33 H new ATOM 0 HB3 GLN A 18 -21.346 8.038 2.724 1.00 0.33 H new ATOM 0 HG2 GLN A 18 -19.448 9.274 4.749 1.00 0.34 H new ATOM 0 HG3 GLN A 18 -19.770 9.922 3.153 1.00 0.34 H new ATOM 0 HE21 GLN A 18 -20.205 11.137 5.798 1.00 1.60 H new ATOM 0 HE22 GLN A 18 -21.926 11.528 5.877 1.00 1.60 H new ATOM 268 N PHE A 19 -21.120 4.691 3.831 1.00 0.28 N ATOM 269 CA PHE A 19 -21.753 3.509 3.247 1.00 0.33 C ATOM 270 C PHE A 19 -21.974 2.407 4.282 1.00 0.35 C ATOM 271 O PHE A 19 -22.283 1.270 3.924 1.00 0.64 O ATOM 272 CB PHE A 19 -20.913 2.968 2.088 1.00 0.36 C ATOM 273 CG PHE A 19 -20.890 3.872 0.888 1.00 0.37 C ATOM 274 CD1 PHE A 19 -21.972 3.930 0.026 1.00 0.48 C ATOM 275 CD2 PHE A 19 -19.785 4.666 0.624 1.00 0.41 C ATOM 276 CE1 PHE A 19 -21.954 4.761 -1.078 1.00 0.54 C ATOM 277 CE2 PHE A 19 -19.761 5.500 -0.478 1.00 0.44 C ATOM 278 CZ PHE A 19 -20.847 5.543 -1.333 1.00 0.47 C ATOM 0 H PHE A 19 -20.149 4.558 4.113 1.00 0.28 H new ATOM 0 HA PHE A 19 -22.729 3.820 2.875 1.00 0.33 H new ATOM 0 HB2 PHE A 19 -19.891 2.811 2.433 1.00 0.36 H new ATOM 0 HB3 PHE A 19 -21.303 1.994 1.791 1.00 0.36 H new ATOM 0 HD1 PHE A 19 -22.841 3.318 0.219 1.00 0.48 H new ATOM 0 HD2 PHE A 19 -18.933 4.633 1.287 1.00 0.41 H new ATOM 0 HE1 PHE A 19 -22.806 4.798 -1.741 1.00 0.54 H new ATOM 0 HE2 PHE A 19 -18.896 6.117 -0.671 1.00 0.44 H new ATOM 0 HZ PHE A 19 -20.828 6.188 -2.199 1.00 0.47 H new ATOM 288 N ASP A 20 -21.817 2.738 5.560 1.00 0.29 N ATOM 289 CA ASP A 20 -22.017 1.758 6.624 1.00 0.28 C ATOM 290 C ASP A 20 -23.383 1.941 7.276 1.00 0.37 C ATOM 291 O ASP A 20 -23.539 2.724 8.213 1.00 0.44 O ATOM 292 CB ASP A 20 -20.916 1.865 7.680 1.00 0.25 C ATOM 293 CG ASP A 20 -21.108 0.873 8.812 1.00 0.27 C ATOM 294 OD1 ASP A 20 -21.336 -0.324 8.524 1.00 0.29 O ATOM 295 OD2 ASP A 20 -21.031 1.290 9.987 1.00 0.33 O ATOM 0 H ASP A 20 -21.554 3.669 5.883 1.00 0.29 H new ATOM 0 HA ASP A 20 -21.972 0.766 6.175 1.00 0.28 H new ATOM 0 HB2 ASP A 20 -19.947 1.695 7.211 1.00 0.25 H new ATOM 0 HB3 ASP A 20 -20.901 2.877 8.085 1.00 0.25 H new ATOM 300 N LYS A 21 -24.371 1.211 6.768 1.00 0.47 N ATOM 301 CA LYS A 21 -25.730 1.285 7.290 1.00 0.59 C ATOM 302 C LYS A 21 -26.023 0.123 8.234 1.00 0.64 C ATOM 303 O LYS A 21 -27.117 0.025 8.792 1.00 0.83 O ATOM 304 CB LYS A 21 -26.732 1.272 6.138 1.00 0.68 C ATOM 305 CG LYS A 21 -26.668 2.515 5.268 1.00 1.02 C ATOM 306 CD LYS A 21 -27.264 3.723 5.973 1.00 1.14 C ATOM 307 CE LYS A 21 -27.313 4.934 5.057 1.00 1.67 C ATOM 308 NZ LYS A 21 -28.167 4.693 3.862 1.00 2.10 N ATOM 0 H LYS A 21 -24.254 0.559 5.992 1.00 0.47 H new ATOM 0 HA LYS A 21 -25.825 2.215 7.850 1.00 0.59 H new ATOM 0 HB2 LYS A 21 -26.550 0.394 5.518 1.00 0.68 H new ATOM 0 HB3 LYS A 21 -27.739 1.173 6.543 1.00 0.68 H new ATOM 0 HG2 LYS A 21 -25.631 2.722 5.004 1.00 1.02 H new ATOM 0 HG3 LYS A 21 -27.204 2.336 4.336 1.00 1.02 H new ATOM 0 HD2 LYS A 21 -28.270 3.485 6.317 1.00 1.14 H new ATOM 0 HD3 LYS A 21 -26.672 3.958 6.857 1.00 1.14 H new ATOM 0 HE2 LYS A 21 -27.696 5.792 5.610 1.00 1.67 H new ATOM 0 HE3 LYS A 21 -26.303 5.187 4.736 1.00 1.67 H new ATOM 0 HZ1 LYS A 21 -28.410 5.602 3.420 1.00 2.10 H new ATOM 0 HZ2 LYS A 21 -27.650 4.103 3.179 1.00 2.10 H new ATOM 0 HZ3 LYS A 21 -29.039 4.205 4.151 1.00 2.10 H new ATOM 322 N GLU A 22 -25.041 -0.753 8.407 1.00 0.58 N ATOM 323 CA GLU A 22 -25.197 -1.918 9.272 1.00 0.63 C ATOM 324 C GLU A 22 -24.657 -1.649 10.674 1.00 0.60 C ATOM 325 O GLU A 22 -25.056 -2.302 11.638 1.00 0.80 O ATOM 326 CB GLU A 22 -24.486 -3.120 8.653 1.00 0.62 C ATOM 327 CG GLU A 22 -24.871 -3.362 7.202 1.00 0.71 C ATOM 328 CD GLU A 22 -26.291 -3.872 7.052 1.00 0.98 C ATOM 329 OE1 GLU A 22 -27.212 -3.038 6.936 1.00 1.80 O ATOM 330 OE2 GLU A 22 -26.480 -5.107 7.048 1.00 0.96 O ATOM 0 H GLU A 22 -24.127 -0.680 7.960 1.00 0.58 H new ATOM 0 HA GLU A 22 -26.262 -2.134 9.363 1.00 0.63 H new ATOM 0 HB2 GLU A 22 -23.408 -2.968 8.716 1.00 0.62 H new ATOM 0 HB3 GLU A 22 -24.717 -4.011 9.237 1.00 0.62 H new ATOM 0 HG2 GLU A 22 -24.761 -2.434 6.641 1.00 0.71 H new ATOM 0 HG3 GLU A 22 -24.182 -4.083 6.763 1.00 0.71 H new ATOM 337 N GLY A 23 -23.748 -0.685 10.780 1.00 0.45 N ATOM 338 CA GLY A 23 -23.172 -0.344 12.068 1.00 0.46 C ATOM 339 C GLY A 23 -22.104 -1.326 12.513 1.00 0.39 C ATOM 340 O GLY A 23 -21.614 -1.250 13.640 1.00 0.45 O ATOM 0 H GLY A 23 -23.400 -0.133 9.996 1.00 0.45 H new ATOM 0 HA2 GLY A 23 -22.741 0.656 12.015 1.00 0.46 H new ATOM 0 HA3 GLY A 23 -23.963 -0.310 12.817 1.00 0.46 H new ATOM 344 N THR A 24 -21.742 -2.249 11.627 1.00 0.34 N ATOM 345 CA THR A 24 -20.726 -3.250 11.934 1.00 0.30 C ATOM 346 C THR A 24 -19.323 -2.707 11.680 1.00 0.28 C ATOM 347 O THR A 24 -18.364 -3.473 11.574 1.00 0.29 O ATOM 348 CB THR A 24 -20.928 -4.529 11.097 1.00 0.32 C ATOM 349 OG1 THR A 24 -21.078 -4.190 9.715 1.00 0.33 O ATOM 350 CG2 THR A 24 -22.152 -5.298 11.573 1.00 0.40 C ATOM 0 H THR A 24 -22.138 -2.324 10.690 1.00 0.34 H new ATOM 0 HA THR A 24 -20.832 -3.494 12.991 1.00 0.30 H new ATOM 0 HB THR A 24 -20.050 -5.162 11.221 1.00 0.32 H new ATOM 0 HG1 THR A 24 -20.263 -3.750 9.396 1.00 0.33 H new ATOM 0 HG21 THR A 24 -22.275 -6.196 10.968 1.00 0.40 H new ATOM 0 HG22 THR A 24 -22.021 -5.579 12.618 1.00 0.40 H new ATOM 0 HG23 THR A 24 -23.037 -4.670 11.474 1.00 0.40 H new ATOM 358 N GLY A 25 -19.211 -1.383 11.587 1.00 0.30 N ATOM 359 CA GLY A 25 -17.921 -0.763 11.335 1.00 0.32 C ATOM 360 C GLY A 25 -17.293 -1.270 10.054 1.00 0.28 C ATOM 361 O GLY A 25 -16.089 -1.126 9.838 1.00 0.33 O ATOM 0 H GLY A 25 -19.989 -0.730 11.682 1.00 0.30 H new ATOM 0 HA2 GLY A 25 -18.043 0.319 11.276 1.00 0.32 H new ATOM 0 HA3 GLY A 25 -17.252 -0.964 12.172 1.00 0.32 H new ATOM 365 N LYS A 26 -18.121 -1.867 9.207 1.00 0.22 N ATOM 366 CA LYS A 26 -17.673 -2.420 7.937 1.00 0.19 C ATOM 367 C LYS A 26 -18.658 -2.068 6.825 1.00 0.20 C ATOM 368 O LYS A 26 -19.835 -1.831 7.086 1.00 0.23 O ATOM 369 CB LYS A 26 -17.534 -3.939 8.068 1.00 0.20 C ATOM 370 CG LYS A 26 -16.480 -4.359 9.074 1.00 0.25 C ATOM 371 CD LYS A 26 -16.657 -5.807 9.509 1.00 0.62 C ATOM 372 CE LYS A 26 -16.244 -6.780 8.419 1.00 0.62 C ATOM 373 NZ LYS A 26 -16.679 -8.172 8.722 1.00 1.10 N ATOM 0 H LYS A 26 -19.120 -1.981 9.381 1.00 0.22 H new ATOM 0 HA LYS A 26 -16.705 -1.991 7.679 1.00 0.19 H new ATOM 0 HB2 LYS A 26 -18.495 -4.361 8.361 1.00 0.20 H new ATOM 0 HB3 LYS A 26 -17.285 -4.360 7.094 1.00 0.20 H new ATOM 0 HG2 LYS A 26 -15.490 -4.229 8.638 1.00 0.25 H new ATOM 0 HG3 LYS A 26 -16.532 -3.709 9.947 1.00 0.25 H new ATOM 0 HD2 LYS A 26 -16.064 -5.992 10.405 1.00 0.62 H new ATOM 0 HD3 LYS A 26 -17.700 -5.981 9.775 1.00 0.62 H new ATOM 0 HE2 LYS A 26 -16.674 -6.464 7.469 1.00 0.62 H new ATOM 0 HE3 LYS A 26 -15.161 -6.756 8.302 1.00 0.62 H new ATOM 0 HZ1 LYS A 26 -16.378 -8.805 7.954 1.00 1.10 H new ATOM 0 HZ2 LYS A 26 -16.248 -8.483 9.616 1.00 1.10 H new ATOM 0 HZ3 LYS A 26 -17.715 -8.201 8.808 1.00 1.10 H new ATOM 387 N ILE A 27 -18.176 -2.031 5.586 1.00 0.22 N ATOM 388 CA ILE A 27 -19.032 -1.706 4.447 1.00 0.26 C ATOM 389 C ILE A 27 -19.071 -2.855 3.446 1.00 0.24 C ATOM 390 O ILE A 27 -18.040 -3.438 3.123 1.00 0.25 O ATOM 391 CB ILE A 27 -18.554 -0.429 3.730 1.00 0.34 C ATOM 392 CG1 ILE A 27 -17.161 -0.643 3.132 1.00 0.40 C ATOM 393 CG2 ILE A 27 -18.553 0.748 4.695 1.00 0.33 C ATOM 394 CD1 ILE A 27 -16.681 0.514 2.288 1.00 0.50 C ATOM 0 H ILE A 27 -17.203 -2.221 5.345 1.00 0.22 H new ATOM 0 HA ILE A 27 -20.034 -1.537 4.841 1.00 0.26 H new ATOM 0 HB ILE A 27 -19.243 -0.205 2.916 1.00 0.34 H new ATOM 0 HG12 ILE A 27 -16.450 -0.812 3.941 1.00 0.40 H new ATOM 0 HG13 ILE A 27 -17.171 -1.547 2.523 1.00 0.40 H new ATOM 0 HG21 ILE A 27 -18.213 1.644 4.176 1.00 0.33 H new ATOM 0 HG22 ILE A 27 -19.562 0.909 5.074 1.00 0.33 H new ATOM 0 HG23 ILE A 27 -17.883 0.535 5.528 1.00 0.33 H new ATOM 0 HD11 ILE A 27 -15.688 0.292 1.898 1.00 0.50 H new ATOM 0 HD12 ILE A 27 -17.371 0.670 1.458 1.00 0.50 H new ATOM 0 HD13 ILE A 27 -16.638 1.416 2.898 1.00 0.50 H new ATOM 406 N ALA A 28 -20.265 -3.180 2.963 1.00 0.26 N ATOM 407 CA ALA A 28 -20.427 -4.263 1.999 1.00 0.26 C ATOM 408 C ALA A 28 -19.433 -4.123 0.852 1.00 0.23 C ATOM 409 O ALA A 28 -19.275 -3.043 0.286 1.00 0.25 O ATOM 410 CB ALA A 28 -21.852 -4.288 1.465 1.00 0.30 C ATOM 0 H ALA A 28 -21.133 -2.711 3.222 1.00 0.26 H new ATOM 0 HA ALA A 28 -20.228 -5.205 2.509 1.00 0.26 H new ATOM 0 HB1 ALA A 28 -21.957 -5.101 0.747 1.00 0.30 H new ATOM 0 HB2 ALA A 28 -22.547 -4.440 2.290 1.00 0.30 H new ATOM 0 HB3 ALA A 28 -22.073 -3.340 0.975 1.00 0.30 H new ATOM 416 N THR A 29 -18.758 -5.222 0.524 1.00 0.27 N ATOM 417 CA THR A 29 -17.776 -5.227 -0.556 1.00 0.30 C ATOM 418 C THR A 29 -18.425 -4.868 -1.886 1.00 0.29 C ATOM 419 O THR A 29 -17.744 -4.516 -2.849 1.00 0.39 O ATOM 420 CB THR A 29 -17.093 -6.601 -0.684 1.00 0.37 C ATOM 421 OG1 THR A 29 -16.182 -6.595 -1.791 1.00 1.03 O ATOM 422 CG2 THR A 29 -18.124 -7.704 -0.874 1.00 0.96 C ATOM 0 H THR A 29 -18.874 -6.121 0.991 1.00 0.27 H new ATOM 0 HA THR A 29 -17.024 -4.478 -0.308 1.00 0.30 H new ATOM 0 HB THR A 29 -16.543 -6.795 0.237 1.00 0.37 H new ATOM 0 HG1 THR A 29 -16.407 -5.858 -2.396 1.00 1.03 H new ATOM 0 HG21 THR A 29 -17.617 -8.665 -0.962 1.00 0.96 H new ATOM 0 HG22 THR A 29 -18.796 -7.726 -0.016 1.00 0.96 H new ATOM 0 HG23 THR A 29 -18.699 -7.513 -1.780 1.00 0.96 H new ATOM 430 N ARG A 30 -19.749 -4.963 -1.928 1.00 0.25 N ATOM 431 CA ARG A 30 -20.509 -4.650 -3.131 1.00 0.29 C ATOM 432 C ARG A 30 -20.672 -3.142 -3.287 1.00 0.28 C ATOM 433 O ARG A 30 -21.244 -2.664 -4.267 1.00 0.44 O ATOM 434 CB ARG A 30 -21.880 -5.321 -3.064 1.00 0.35 C ATOM 435 CG ARG A 30 -21.811 -6.807 -2.745 1.00 0.43 C ATOM 436 CD ARG A 30 -23.126 -7.315 -2.178 1.00 0.83 C ATOM 437 NE ARG A 30 -23.060 -8.731 -1.826 1.00 1.56 N ATOM 438 CZ ARG A 30 -24.111 -9.446 -1.440 1.00 2.17 C ATOM 439 NH1 ARG A 30 -25.310 -8.882 -1.359 1.00 2.25 N ATOM 440 NH2 ARG A 30 -23.966 -10.728 -1.134 1.00 3.08 N ATOM 0 H ARG A 30 -20.321 -5.257 -1.136 1.00 0.25 H new ATOM 0 HA ARG A 30 -19.965 -5.028 -3.996 1.00 0.29 H new ATOM 0 HB2 ARG A 30 -22.484 -4.822 -2.306 1.00 0.35 H new ATOM 0 HB3 ARG A 30 -22.390 -5.185 -4.018 1.00 0.35 H new ATOM 0 HG2 ARG A 30 -21.564 -7.363 -3.649 1.00 0.43 H new ATOM 0 HG3 ARG A 30 -21.010 -6.990 -2.029 1.00 0.43 H new ATOM 0 HD2 ARG A 30 -23.388 -6.734 -1.294 1.00 0.83 H new ATOM 0 HD3 ARG A 30 -23.920 -7.160 -2.909 1.00 0.83 H new ATOM 0 HE ARG A 30 -22.155 -9.198 -1.880 1.00 1.56 H new ATOM 0 HH11 ARG A 30 -25.427 -7.896 -1.594 1.00 2.25 H new ATOM 0 HH12 ARG A 30 -26.114 -9.434 -1.062 1.00 2.25 H new ATOM 0 HH21 ARG A 30 -23.047 -11.166 -1.195 1.00 3.08 H new ATOM 0 HH22 ARG A 30 -24.774 -11.276 -0.838 1.00 3.08 H new ATOM 454 N GLU A 31 -20.163 -2.401 -2.308 1.00 0.22 N ATOM 455 CA GLU A 31 -20.242 -0.944 -2.317 1.00 0.23 C ATOM 456 C GLU A 31 -18.850 -0.327 -2.378 1.00 0.21 C ATOM 457 O GLU A 31 -18.705 0.883 -2.551 1.00 0.21 O ATOM 458 CB GLU A 31 -20.974 -0.449 -1.068 1.00 0.30 C ATOM 459 CG GLU A 31 -22.396 -0.971 -0.952 1.00 0.32 C ATOM 460 CD GLU A 31 -23.095 -0.485 0.302 1.00 1.30 C ATOM 461 OE1 GLU A 31 -22.973 -1.158 1.348 1.00 2.26 O ATOM 462 OE2 GLU A 31 -23.764 0.566 0.240 1.00 1.40 O ATOM 0 H GLU A 31 -19.688 -2.789 -1.493 1.00 0.22 H new ATOM 0 HA GLU A 31 -20.797 -0.638 -3.204 1.00 0.23 H new ATOM 0 HB2 GLU A 31 -20.412 -0.750 -0.184 1.00 0.30 H new ATOM 0 HB3 GLU A 31 -20.995 0.641 -1.077 1.00 0.30 H new ATOM 0 HG2 GLU A 31 -22.967 -0.657 -1.826 1.00 0.32 H new ATOM 0 HG3 GLU A 31 -22.380 -2.061 -0.956 1.00 0.32 H new ATOM 469 N LEU A 32 -17.828 -1.168 -2.229 1.00 0.21 N ATOM 470 CA LEU A 32 -16.446 -0.705 -2.269 1.00 0.24 C ATOM 471 C LEU A 32 -16.178 0.042 -3.570 1.00 0.23 C ATOM 472 O LEU A 32 -15.617 1.137 -3.562 1.00 0.25 O ATOM 473 CB LEU A 32 -15.484 -1.888 -2.120 1.00 0.29 C ATOM 474 CG LEU A 32 -14.096 -1.558 -1.553 1.00 0.44 C ATOM 475 CD1 LEU A 32 -13.306 -0.684 -2.516 1.00 1.04 C ATOM 476 CD2 LEU A 32 -14.218 -0.882 -0.194 1.00 1.37 C ATOM 0 H LEU A 32 -17.933 -2.172 -2.080 1.00 0.21 H new ATOM 0 HA LEU A 32 -16.282 -0.021 -1.437 1.00 0.24 H new ATOM 0 HB2 LEU A 32 -15.951 -2.632 -1.474 1.00 0.29 H new ATOM 0 HB3 LEU A 32 -15.355 -2.351 -3.098 1.00 0.29 H new ATOM 0 HG LEU A 32 -13.554 -2.495 -1.425 1.00 0.44 H new ATOM 0 HD11 LEU A 32 -12.327 -0.465 -2.089 1.00 1.04 H new ATOM 0 HD12 LEU A 32 -13.180 -1.208 -3.463 1.00 1.04 H new ATOM 0 HD13 LEU A 32 -13.844 0.249 -2.686 1.00 1.04 H new ATOM 0 HD21 LEU A 32 -13.223 -0.656 0.191 1.00 1.37 H new ATOM 0 HD22 LEU A 32 -14.786 0.043 -0.297 1.00 1.37 H new ATOM 0 HD23 LEU A 32 -14.732 -1.548 0.499 1.00 1.37 H new ATOM 488 N GLY A 33 -16.584 -0.556 -4.688 1.00 0.25 N ATOM 489 CA GLY A 33 -16.389 0.081 -5.976 1.00 0.28 C ATOM 490 C GLY A 33 -17.016 1.458 -6.014 1.00 0.27 C ATOM 491 O GLY A 33 -16.433 2.401 -6.547 1.00 0.32 O ATOM 0 H GLY A 33 -17.042 -1.466 -4.723 1.00 0.25 H new ATOM 0 HA2 GLY A 33 -15.322 0.160 -6.186 1.00 0.28 H new ATOM 0 HA3 GLY A 33 -16.824 -0.540 -6.760 1.00 0.28 H new ATOM 495 N THR A 34 -18.208 1.567 -5.439 1.00 0.23 N ATOM 496 CA THR A 34 -18.920 2.836 -5.383 1.00 0.24 C ATOM 497 C THR A 34 -18.161 3.830 -4.515 1.00 0.22 C ATOM 498 O THR A 34 -18.239 5.042 -4.720 1.00 0.23 O ATOM 499 CB THR A 34 -20.339 2.653 -4.811 1.00 0.26 C ATOM 500 OG1 THR A 34 -21.063 1.699 -5.596 1.00 0.31 O ATOM 501 CG2 THR A 34 -21.092 3.976 -4.790 1.00 0.29 C ATOM 0 H THR A 34 -18.702 0.788 -5.004 1.00 0.23 H new ATOM 0 HA THR A 34 -18.995 3.217 -6.402 1.00 0.24 H new ATOM 0 HB THR A 34 -20.249 2.290 -3.787 1.00 0.26 H new ATOM 0 HG1 THR A 34 -21.963 1.586 -5.226 1.00 0.31 H new ATOM 0 HG21 THR A 34 -22.091 3.820 -4.382 1.00 0.29 H new ATOM 0 HG22 THR A 34 -20.554 4.691 -4.168 1.00 0.29 H new ATOM 0 HG23 THR A 34 -21.172 4.366 -5.805 1.00 0.29 H new ATOM 509 N LEU A 35 -17.425 3.303 -3.543 1.00 0.22 N ATOM 510 CA LEU A 35 -16.644 4.129 -2.632 1.00 0.24 C ATOM 511 C LEU A 35 -15.451 4.746 -3.356 1.00 0.25 C ATOM 512 O LEU A 35 -15.046 5.870 -3.065 1.00 0.29 O ATOM 513 CB LEU A 35 -16.154 3.289 -1.448 1.00 0.29 C ATOM 514 CG LEU A 35 -16.130 3.988 -0.088 1.00 0.42 C ATOM 515 CD1 LEU A 35 -15.240 3.225 0.879 1.00 1.24 C ATOM 516 CD2 LEU A 35 -15.660 5.431 -0.209 1.00 1.16 C ATOM 0 H LEU A 35 -17.353 2.301 -3.366 1.00 0.22 H new ATOM 0 HA LEU A 35 -17.282 4.932 -2.263 1.00 0.24 H new ATOM 0 HB2 LEU A 35 -16.789 2.406 -1.368 1.00 0.29 H new ATOM 0 HB3 LEU A 35 -15.146 2.938 -1.671 1.00 0.29 H new ATOM 0 HG LEU A 35 -17.149 4.001 0.298 1.00 0.42 H new ATOM 0 HD11 LEU A 35 -15.231 3.733 1.843 1.00 1.24 H new ATOM 0 HD12 LEU A 35 -15.624 2.213 1.005 1.00 1.24 H new ATOM 0 HD13 LEU A 35 -14.226 3.181 0.483 1.00 1.24 H new ATOM 0 HD21 LEU A 35 -15.656 5.896 0.777 1.00 1.16 H new ATOM 0 HD22 LEU A 35 -14.653 5.452 -0.625 1.00 1.16 H new ATOM 0 HD23 LEU A 35 -16.335 5.980 -0.866 1.00 1.16 H new ATOM 528 N MET A 36 -14.883 3.998 -4.293 1.00 0.28 N ATOM 529 CA MET A 36 -13.735 4.474 -5.054 1.00 0.32 C ATOM 530 C MET A 36 -14.182 5.406 -6.175 1.00 0.30 C ATOM 531 O MET A 36 -13.398 6.212 -6.676 1.00 0.40 O ATOM 532 CB MET A 36 -12.951 3.291 -5.622 1.00 0.45 C ATOM 533 CG MET A 36 -12.785 2.151 -4.629 1.00 0.51 C ATOM 534 SD MET A 36 -11.515 0.970 -5.120 1.00 1.10 S ATOM 535 CE MET A 36 -10.035 1.910 -4.766 1.00 0.69 C ATOM 0 H MET A 36 -15.198 3.061 -4.544 1.00 0.28 H new ATOM 0 HA MET A 36 -13.084 5.035 -4.384 1.00 0.32 H new ATOM 0 HB2 MET A 36 -13.460 2.919 -6.511 1.00 0.45 H new ATOM 0 HB3 MET A 36 -11.966 3.634 -5.939 1.00 0.45 H new ATOM 0 HG2 MET A 36 -12.533 2.562 -3.651 1.00 0.51 H new ATOM 0 HG3 MET A 36 -13.736 1.630 -4.520 1.00 0.51 H new ATOM 0 HE1 MET A 36 -9.223 1.228 -4.514 1.00 0.69 H new ATOM 0 HE2 MET A 36 -9.758 2.496 -5.642 1.00 0.69 H new ATOM 0 HE3 MET A 36 -10.221 2.579 -3.926 1.00 0.69 H new ATOM 545 N ARG A 37 -15.448 5.287 -6.564 1.00 0.30 N ATOM 546 CA ARG A 37 -16.007 6.129 -7.616 1.00 0.34 C ATOM 547 C ARG A 37 -16.307 7.521 -7.073 1.00 0.33 C ATOM 548 O ARG A 37 -16.126 8.523 -7.764 1.00 0.43 O ATOM 549 CB ARG A 37 -17.281 5.499 -8.181 1.00 0.44 C ATOM 550 CG ARG A 37 -17.028 4.233 -8.984 1.00 0.64 C ATOM 551 CD ARG A 37 -18.327 3.524 -9.329 1.00 0.70 C ATOM 552 NE ARG A 37 -18.094 2.276 -10.051 1.00 1.40 N ATOM 553 CZ ARG A 37 -19.067 1.470 -10.466 1.00 1.73 C ATOM 554 NH1 ARG A 37 -20.335 1.777 -10.226 1.00 1.52 N ATOM 555 NH2 ARG A 37 -18.772 0.354 -11.118 1.00 2.69 N ATOM 0 H ARG A 37 -16.106 4.616 -6.167 1.00 0.30 H new ATOM 0 HA ARG A 37 -15.274 6.215 -8.418 1.00 0.34 H new ATOM 0 HB2 ARG A 37 -17.958 5.269 -7.359 1.00 0.44 H new ATOM 0 HB3 ARG A 37 -17.786 6.227 -8.816 1.00 0.44 H new ATOM 0 HG2 ARG A 37 -16.494 4.483 -9.901 1.00 0.64 H new ATOM 0 HG3 ARG A 37 -16.386 3.561 -8.414 1.00 0.64 H new ATOM 0 HD2 ARG A 37 -18.880 3.315 -8.413 1.00 0.70 H new ATOM 0 HD3 ARG A 37 -18.950 4.182 -9.935 1.00 0.70 H new ATOM 0 HE ARG A 37 -17.130 2.007 -10.248 1.00 1.40 H new ATOM 0 HH11 ARG A 37 -20.566 2.633 -9.722 1.00 1.52 H new ATOM 0 HH12 ARG A 37 -21.079 1.157 -10.546 1.00 1.52 H new ATOM 0 HH21 ARG A 37 -17.798 0.113 -11.302 1.00 2.69 H new ATOM 0 HH22 ARG A 37 -19.519 -0.264 -11.436 1.00 2.69 H new ATOM 569 N THR A 38 -16.770 7.569 -5.827 1.00 0.31 N ATOM 570 CA THR A 38 -17.085 8.830 -5.172 1.00 0.39 C ATOM 571 C THR A 38 -15.810 9.571 -4.793 1.00 0.36 C ATOM 572 O THR A 38 -15.843 10.748 -4.433 1.00 0.43 O ATOM 573 CB THR A 38 -17.956 8.626 -3.917 1.00 0.50 C ATOM 574 OG1 THR A 38 -18.186 9.884 -3.271 1.00 1.06 O ATOM 575 CG2 THR A 38 -17.296 7.666 -2.943 1.00 0.61 C ATOM 0 H THR A 38 -16.935 6.744 -5.250 1.00 0.31 H new ATOM 0 HA THR A 38 -17.654 9.426 -5.886 1.00 0.39 H new ATOM 0 HB THR A 38 -18.907 8.197 -4.232 1.00 0.50 H new ATOM 0 HG1 THR A 38 -17.484 10.517 -3.529 1.00 1.06 H new ATOM 0 HG21 THR A 38 -17.933 7.541 -2.067 1.00 0.61 H new ATOM 0 HG22 THR A 38 -17.150 6.700 -3.427 1.00 0.61 H new ATOM 0 HG23 THR A 38 -16.330 8.067 -2.635 1.00 0.61 H new ATOM 583 N LEU A 39 -14.684 8.867 -4.878 1.00 0.30 N ATOM 584 CA LEU A 39 -13.387 9.443 -4.545 1.00 0.33 C ATOM 585 C LEU A 39 -12.529 9.581 -5.800 1.00 0.33 C ATOM 586 O LEU A 39 -12.730 8.869 -6.785 1.00 0.31 O ATOM 587 CB LEU A 39 -12.666 8.571 -3.513 1.00 0.38 C ATOM 588 CG LEU A 39 -13.423 8.333 -2.204 1.00 0.64 C ATOM 589 CD1 LEU A 39 -12.697 7.299 -1.354 1.00 1.26 C ATOM 590 CD2 LEU A 39 -13.587 9.633 -1.430 1.00 1.07 C ATOM 0 H LEU A 39 -14.646 7.892 -5.176 1.00 0.30 H new ATOM 0 HA LEU A 39 -13.549 10.433 -4.118 1.00 0.33 H new ATOM 0 HB2 LEU A 39 -12.450 7.604 -3.968 1.00 0.38 H new ATOM 0 HB3 LEU A 39 -11.708 9.034 -3.279 1.00 0.38 H new ATOM 0 HG LEU A 39 -14.415 7.953 -2.447 1.00 0.64 H new ATOM 0 HD11 LEU A 39 -13.247 7.140 -0.426 1.00 1.26 H new ATOM 0 HD12 LEU A 39 -12.631 6.359 -1.902 1.00 1.26 H new ATOM 0 HD13 LEU A 39 -11.693 7.657 -1.124 1.00 1.26 H new ATOM 0 HD21 LEU A 39 -14.128 9.439 -0.504 1.00 1.07 H new ATOM 0 HD22 LEU A 39 -12.605 10.044 -1.198 1.00 1.07 H new ATOM 0 HD23 LEU A 39 -14.146 10.348 -2.034 1.00 1.07 H new ATOM 602 N GLY A 40 -11.575 10.509 -5.754 1.00 0.42 N ATOM 603 CA GLY A 40 -10.702 10.766 -6.889 1.00 0.47 C ATOM 604 C GLY A 40 -10.046 9.524 -7.469 1.00 0.43 C ATOM 605 O GLY A 40 -9.562 9.555 -8.600 1.00 0.69 O ATOM 0 H GLY A 40 -11.390 11.094 -4.940 1.00 0.42 H new ATOM 0 HA2 GLY A 40 -11.279 11.257 -7.672 1.00 0.47 H new ATOM 0 HA3 GLY A 40 -9.923 11.464 -6.582 1.00 0.47 H new ATOM 609 N GLN A 41 -10.018 8.436 -6.707 1.00 0.44 N ATOM 610 CA GLN A 41 -9.405 7.198 -7.182 1.00 0.40 C ATOM 611 C GLN A 41 -10.173 6.616 -8.363 1.00 0.51 C ATOM 612 O GLN A 41 -11.404 6.660 -8.399 1.00 1.45 O ATOM 613 CB GLN A 41 -9.335 6.162 -6.060 1.00 0.48 C ATOM 614 CG GLN A 41 -8.279 6.467 -5.013 1.00 0.74 C ATOM 615 CD GLN A 41 -8.707 7.563 -4.060 1.00 1.06 C ATOM 616 OE1 GLN A 41 -9.894 7.734 -3.790 1.00 1.97 O ATOM 617 NE2 GLN A 41 -7.744 8.312 -3.541 1.00 1.30 N ATOM 0 H GLN A 41 -10.408 8.384 -5.766 1.00 0.44 H new ATOM 0 HA GLN A 41 -8.394 7.442 -7.509 1.00 0.40 H new ATOM 0 HB2 GLN A 41 -10.309 6.100 -5.574 1.00 0.48 H new ATOM 0 HB3 GLN A 41 -9.132 5.183 -6.494 1.00 0.48 H new ATOM 0 HG2 GLN A 41 -8.062 5.562 -4.446 1.00 0.74 H new ATOM 0 HG3 GLN A 41 -7.354 6.762 -5.509 1.00 0.74 H new ATOM 0 HE21 GLN A 41 -6.771 8.137 -3.791 1.00 1.30 H new ATOM 0 HE22 GLN A 41 -7.976 9.063 -2.891 1.00 1.30 H new ATOM 626 N ASN A 42 -9.439 6.069 -9.329 1.00 0.74 N ATOM 627 CA ASN A 42 -10.050 5.465 -10.508 1.00 0.68 C ATOM 628 C ASN A 42 -9.499 4.061 -10.747 1.00 0.53 C ATOM 629 O ASN A 42 -8.720 3.842 -11.676 1.00 0.62 O ATOM 630 CB ASN A 42 -9.817 6.330 -11.746 1.00 0.85 C ATOM 631 CG ASN A 42 -10.551 7.655 -11.677 1.00 1.87 C ATOM 632 OD1 ASN A 42 -11.707 7.760 -12.087 1.00 2.57 O ATOM 633 ND2 ASN A 42 -9.878 8.677 -11.163 1.00 2.66 N ATOM 0 H ASN A 42 -8.420 6.032 -9.318 1.00 0.74 H new ATOM 0 HA ASN A 42 -11.122 5.395 -10.326 1.00 0.68 H new ATOM 0 HB2 ASN A 42 -8.749 6.516 -11.859 1.00 0.85 H new ATOM 0 HB3 ASN A 42 -10.141 5.785 -12.632 1.00 0.85 H new ATOM 0 HD21 ASN A 42 -10.318 9.595 -11.096 1.00 2.66 H new ATOM 0 HD22 ASN A 42 -8.921 8.544 -10.835 1.00 2.66 H new ATOM 640 N PRO A 43 -9.895 3.091 -9.905 1.00 0.41 N ATOM 641 CA PRO A 43 -9.442 1.699 -10.028 1.00 0.40 C ATOM 642 C PRO A 43 -9.844 1.075 -11.360 1.00 0.39 C ATOM 643 O PRO A 43 -10.877 1.423 -11.931 1.00 0.51 O ATOM 644 CB PRO A 43 -10.163 0.987 -8.876 1.00 0.44 C ATOM 645 CG PRO A 43 -11.315 1.871 -8.551 1.00 0.45 C ATOM 646 CD PRO A 43 -10.815 3.264 -8.770 1.00 0.44 C ATOM 0 HA PRO A 43 -8.356 1.622 -9.987 1.00 0.40 H new ATOM 0 HB2 PRO A 43 -10.497 -0.007 -9.172 1.00 0.44 H new ATOM 0 HB3 PRO A 43 -9.506 0.859 -8.016 1.00 0.44 H new ATOM 0 HG2 PRO A 43 -12.170 1.655 -9.191 1.00 0.45 H new ATOM 0 HG3 PRO A 43 -11.643 1.728 -7.521 1.00 0.45 H new ATOM 0 HD2 PRO A 43 -11.625 3.955 -9.004 1.00 0.44 H new ATOM 0 HD3 PRO A 43 -10.306 3.657 -7.890 1.00 0.44 H new ATOM 654 N THR A 44 -9.020 0.154 -11.848 1.00 0.35 N ATOM 655 CA THR A 44 -9.292 -0.526 -13.107 1.00 0.36 C ATOM 656 C THR A 44 -10.356 -1.601 -12.917 1.00 0.32 C ATOM 657 O THR A 44 -10.474 -2.175 -11.836 1.00 0.33 O ATOM 658 CB THR A 44 -8.016 -1.171 -13.685 1.00 0.43 C ATOM 659 OG1 THR A 44 -6.973 -0.193 -13.776 1.00 0.73 O ATOM 660 CG2 THR A 44 -8.277 -1.764 -15.061 1.00 0.69 C ATOM 0 H THR A 44 -8.157 -0.138 -11.389 1.00 0.35 H new ATOM 0 HA THR A 44 -9.654 0.225 -13.809 1.00 0.36 H new ATOM 0 HB THR A 44 -7.710 -1.974 -13.015 1.00 0.43 H new ATOM 0 HG1 THR A 44 -6.165 -0.610 -14.142 1.00 0.73 H new ATOM 0 HG21 THR A 44 -7.360 -2.212 -15.444 1.00 0.69 H new ATOM 0 HG22 THR A 44 -9.051 -2.528 -14.987 1.00 0.69 H new ATOM 0 HG23 THR A 44 -8.608 -0.977 -15.739 1.00 0.69 H new ATOM 668 N GLU A 45 -11.133 -1.867 -13.963 1.00 0.32 N ATOM 669 CA GLU A 45 -12.191 -2.870 -13.893 1.00 0.33 C ATOM 670 C GLU A 45 -11.677 -4.186 -13.310 1.00 0.32 C ATOM 671 O GLU A 45 -12.218 -4.688 -12.325 1.00 0.34 O ATOM 672 CB GLU A 45 -12.790 -3.115 -15.280 1.00 0.40 C ATOM 673 CG GLU A 45 -13.717 -2.006 -15.751 1.00 1.14 C ATOM 674 CD GLU A 45 -12.996 -0.689 -15.962 1.00 1.84 C ATOM 675 OE1 GLU A 45 -12.888 0.091 -14.993 1.00 2.70 O ATOM 676 OE2 GLU A 45 -12.537 -0.438 -17.096 1.00 2.04 O ATOM 0 H GLU A 45 -11.050 -1.403 -14.868 1.00 0.32 H new ATOM 0 HA GLU A 45 -12.966 -2.484 -13.231 1.00 0.33 H new ATOM 0 HB2 GLU A 45 -11.980 -3.230 -16.000 1.00 0.40 H new ATOM 0 HB3 GLU A 45 -13.341 -4.056 -15.267 1.00 0.40 H new ATOM 0 HG2 GLU A 45 -14.193 -2.308 -16.684 1.00 1.14 H new ATOM 0 HG3 GLU A 45 -14.512 -1.867 -15.018 1.00 1.14 H new ATOM 683 N ALA A 46 -10.627 -4.732 -13.916 1.00 0.33 N ATOM 684 CA ALA A 46 -10.049 -5.993 -13.462 1.00 0.37 C ATOM 685 C ALA A 46 -9.649 -5.934 -11.990 1.00 0.33 C ATOM 686 O ALA A 46 -9.891 -6.875 -11.235 1.00 0.34 O ATOM 687 CB ALA A 46 -8.847 -6.361 -14.319 1.00 0.46 C ATOM 0 H ALA A 46 -10.159 -4.321 -14.723 1.00 0.33 H new ATOM 0 HA ALA A 46 -10.813 -6.763 -13.567 1.00 0.37 H new ATOM 0 HB1 ALA A 46 -8.426 -7.304 -13.969 1.00 0.46 H new ATOM 0 HB2 ALA A 46 -9.159 -6.466 -15.358 1.00 0.46 H new ATOM 0 HB3 ALA A 46 -8.093 -5.577 -14.245 1.00 0.46 H new ATOM 693 N GLU A 47 -9.040 -4.824 -11.588 1.00 0.32 N ATOM 694 CA GLU A 47 -8.600 -4.650 -10.207 1.00 0.32 C ATOM 695 C GLU A 47 -9.785 -4.679 -9.250 1.00 0.28 C ATOM 696 O GLU A 47 -9.806 -5.458 -8.298 1.00 0.28 O ATOM 697 CB GLU A 47 -7.841 -3.331 -10.058 1.00 0.37 C ATOM 698 CG GLU A 47 -7.263 -3.111 -8.669 1.00 0.43 C ATOM 699 CD GLU A 47 -6.463 -1.827 -8.571 1.00 1.24 C ATOM 700 OE1 GLU A 47 -7.067 -0.771 -8.284 1.00 2.23 O ATOM 701 OE2 GLU A 47 -5.233 -1.876 -8.779 1.00 1.27 O ATOM 0 H GLU A 47 -8.839 -4.031 -12.198 1.00 0.32 H new ATOM 0 HA GLU A 47 -7.935 -5.476 -9.956 1.00 0.32 H new ATOM 0 HB2 GLU A 47 -7.031 -3.304 -10.787 1.00 0.37 H new ATOM 0 HB3 GLU A 47 -8.513 -2.507 -10.297 1.00 0.37 H new ATOM 0 HG2 GLU A 47 -8.074 -3.087 -7.941 1.00 0.43 H new ATOM 0 HG3 GLU A 47 -6.624 -3.954 -8.407 1.00 0.43 H new ATOM 708 N LEU A 48 -10.769 -3.831 -9.517 1.00 0.29 N ATOM 709 CA LEU A 48 -11.960 -3.748 -8.682 1.00 0.31 C ATOM 710 C LEU A 48 -12.638 -5.108 -8.553 1.00 0.30 C ATOM 711 O LEU A 48 -13.072 -5.493 -7.468 1.00 0.35 O ATOM 712 CB LEU A 48 -12.942 -2.730 -9.264 1.00 0.35 C ATOM 713 CG LEU A 48 -13.993 -2.214 -8.281 1.00 0.65 C ATOM 714 CD1 LEU A 48 -13.338 -1.365 -7.203 1.00 1.34 C ATOM 715 CD2 LEU A 48 -15.062 -1.418 -9.014 1.00 1.36 C ATOM 0 H LEU A 48 -10.766 -3.188 -10.309 1.00 0.29 H new ATOM 0 HA LEU A 48 -11.652 -3.424 -7.688 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -12.377 -1.881 -9.648 1.00 0.35 H new ATOM 0 HB3 LEU A 48 -13.452 -3.184 -10.114 1.00 0.35 H new ATOM 0 HG LEU A 48 -14.471 -3.069 -7.803 1.00 0.65 H new ATOM 0 HD11 LEU A 48 -14.099 -1.005 -6.511 1.00 1.34 H new ATOM 0 HD12 LEU A 48 -12.609 -1.966 -6.660 1.00 1.34 H new ATOM 0 HD13 LEU A 48 -12.836 -0.515 -7.665 1.00 1.34 H new ATOM 0 HD21 LEU A 48 -15.802 -1.058 -8.299 1.00 1.36 H new ATOM 0 HD22 LEU A 48 -14.601 -0.568 -9.518 1.00 1.36 H new ATOM 0 HD23 LEU A 48 -15.550 -2.056 -9.751 1.00 1.36 H new ATOM 727 N GLN A 49 -12.723 -5.835 -9.662 1.00 0.30 N ATOM 728 CA GLN A 49 -13.355 -7.150 -9.670 1.00 0.35 C ATOM 729 C GLN A 49 -12.520 -8.171 -8.900 1.00 0.35 C ATOM 730 O GLN A 49 -13.063 -9.093 -8.292 1.00 0.38 O ATOM 731 CB GLN A 49 -13.566 -7.629 -11.109 1.00 0.41 C ATOM 732 CG GLN A 49 -14.494 -6.737 -11.919 1.00 0.48 C ATOM 733 CD GLN A 49 -15.891 -6.657 -11.334 1.00 0.78 C ATOM 734 OE1 GLN A 49 -16.370 -7.603 -10.709 1.00 1.22 O ATOM 735 NE2 GLN A 49 -16.553 -5.523 -11.537 1.00 1.19 N ATOM 0 H GLN A 49 -12.362 -5.536 -10.568 1.00 0.30 H new ATOM 0 HA GLN A 49 -14.322 -7.058 -9.176 1.00 0.35 H new ATOM 0 HB2 GLN A 49 -12.600 -7.683 -11.610 1.00 0.41 H new ATOM 0 HB3 GLN A 49 -13.973 -8.640 -11.090 1.00 0.41 H new ATOM 0 HG2 GLN A 49 -14.070 -5.734 -11.974 1.00 0.48 H new ATOM 0 HG3 GLN A 49 -14.554 -7.114 -12.940 1.00 0.48 H new ATOM 0 HE21 GLN A 49 -16.117 -4.765 -12.061 1.00 1.19 H new ATOM 0 HE22 GLN A 49 -17.498 -5.411 -11.169 1.00 1.19 H new ATOM 744 N ASP A 50 -11.201 -8.002 -8.928 1.00 0.34 N ATOM 745 CA ASP A 50 -10.299 -8.918 -8.234 1.00 0.38 C ATOM 746 C ASP A 50 -10.395 -8.762 -6.718 1.00 0.35 C ATOM 747 O ASP A 50 -10.577 -9.745 -5.998 1.00 0.39 O ATOM 748 CB ASP A 50 -8.855 -8.692 -8.691 1.00 0.43 C ATOM 749 CG ASP A 50 -8.617 -9.161 -10.114 1.00 0.49 C ATOM 750 OD1 ASP A 50 -9.240 -10.164 -10.520 1.00 0.62 O ATOM 751 OD2 ASP A 50 -7.806 -8.525 -10.820 1.00 0.53 O ATOM 0 H ASP A 50 -10.733 -7.242 -9.422 1.00 0.34 H new ATOM 0 HA ASP A 50 -10.603 -9.933 -8.488 1.00 0.38 H new ATOM 0 HB2 ASP A 50 -8.615 -7.631 -8.616 1.00 0.43 H new ATOM 0 HB3 ASP A 50 -8.178 -9.220 -8.020 1.00 0.43 H new ATOM 756 N LEU A 51 -10.271 -7.529 -6.237 1.00 0.32 N ATOM 757 CA LEU A 51 -10.335 -7.258 -4.804 1.00 0.33 C ATOM 758 C LEU A 51 -11.722 -7.557 -4.239 1.00 0.32 C ATOM 759 O LEU A 51 -11.844 -8.111 -3.146 1.00 0.35 O ATOM 760 CB LEU A 51 -9.944 -5.808 -4.517 1.00 0.36 C ATOM 761 CG LEU A 51 -10.776 -4.755 -5.244 1.00 0.30 C ATOM 762 CD1 LEU A 51 -11.784 -4.124 -4.299 1.00 0.39 C ATOM 763 CD2 LEU A 51 -9.870 -3.697 -5.855 1.00 0.31 C ATOM 0 H LEU A 51 -10.126 -6.703 -6.817 1.00 0.32 H new ATOM 0 HA LEU A 51 -9.624 -7.920 -4.309 1.00 0.33 H new ATOM 0 HB2 LEU A 51 -10.022 -5.633 -3.444 1.00 0.36 H new ATOM 0 HB3 LEU A 51 -8.897 -5.671 -4.787 1.00 0.36 H new ATOM 0 HG LEU A 51 -11.327 -5.241 -6.049 1.00 0.30 H new ATOM 0 HD11 LEU A 51 -12.367 -3.376 -4.836 1.00 0.39 H new ATOM 0 HD12 LEU A 51 -12.451 -4.894 -3.911 1.00 0.39 H new ATOM 0 HD13 LEU A 51 -11.258 -3.648 -3.471 1.00 0.39 H new ATOM 0 HD21 LEU A 51 -10.476 -2.952 -6.370 1.00 0.31 H new ATOM 0 HD22 LEU A 51 -9.293 -3.213 -5.067 1.00 0.31 H new ATOM 0 HD23 LEU A 51 -9.190 -4.167 -6.566 1.00 0.31 H new ATOM 775 N ILE A 52 -12.766 -7.187 -4.978 1.00 0.31 N ATOM 776 CA ILE A 52 -14.134 -7.436 -4.534 1.00 0.34 C ATOM 777 C ILE A 52 -14.391 -8.933 -4.413 1.00 0.37 C ATOM 778 O ILE A 52 -14.901 -9.405 -3.397 1.00 0.41 O ATOM 779 CB ILE A 52 -15.175 -6.810 -5.490 1.00 0.38 C ATOM 780 CG1 ILE A 52 -15.157 -5.283 -5.364 1.00 0.42 C ATOM 781 CG2 ILE A 52 -16.568 -7.355 -5.199 1.00 0.50 C ATOM 782 CD1 ILE A 52 -16.103 -4.580 -6.316 1.00 0.50 C ATOM 0 H ILE A 52 -12.691 -6.717 -5.880 1.00 0.31 H new ATOM 0 HA ILE A 52 -14.244 -6.965 -3.557 1.00 0.34 H new ATOM 0 HB ILE A 52 -14.912 -7.078 -6.513 1.00 0.38 H new ATOM 0 HG12 ILE A 52 -15.416 -5.009 -4.341 1.00 0.42 H new ATOM 0 HG13 ILE A 52 -14.143 -4.925 -5.543 1.00 0.42 H new ATOM 0 HG21 ILE A 52 -17.286 -6.902 -5.883 1.00 0.50 H new ATOM 0 HG22 ILE A 52 -16.571 -8.437 -5.334 1.00 0.50 H new ATOM 0 HG23 ILE A 52 -16.845 -7.117 -4.172 1.00 0.50 H new ATOM 0 HD11 ILE A 52 -16.034 -3.502 -6.168 1.00 0.50 H new ATOM 0 HD12 ILE A 52 -15.832 -4.823 -7.344 1.00 0.50 H new ATOM 0 HD13 ILE A 52 -17.124 -4.908 -6.123 1.00 0.50 H new ATOM 794 N ALA A 53 -14.034 -9.677 -5.457 1.00 0.41 N ATOM 795 CA ALA A 53 -14.217 -11.123 -5.460 1.00 0.50 C ATOM 796 C ALA A 53 -13.383 -11.765 -4.361 1.00 0.49 C ATOM 797 O ALA A 53 -13.785 -12.762 -3.764 1.00 0.58 O ATOM 798 CB ALA A 53 -13.851 -11.703 -6.817 1.00 0.59 C ATOM 0 H ALA A 53 -13.617 -9.302 -6.309 1.00 0.41 H new ATOM 0 HA ALA A 53 -15.268 -11.340 -5.267 1.00 0.50 H new ATOM 0 HB1 ALA A 53 -13.994 -12.784 -6.801 1.00 0.59 H new ATOM 0 HB2 ALA A 53 -14.489 -11.264 -7.584 1.00 0.59 H new ATOM 0 HB3 ALA A 53 -12.808 -11.478 -7.040 1.00 0.59 H new ATOM 804 N GLU A 54 -12.216 -11.184 -4.100 1.00 0.45 N ATOM 805 CA GLU A 54 -11.327 -11.688 -3.062 1.00 0.51 C ATOM 806 C GLU A 54 -11.991 -11.565 -1.698 1.00 0.50 C ATOM 807 O GLU A 54 -12.038 -12.524 -0.928 1.00 0.59 O ATOM 808 CB GLU A 54 -10.004 -10.919 -3.075 1.00 0.57 C ATOM 809 CG GLU A 54 -9.053 -11.320 -1.959 1.00 1.07 C ATOM 810 CD GLU A 54 -7.745 -10.557 -2.005 1.00 1.77 C ATOM 811 OE1 GLU A 54 -7.679 -9.456 -1.420 1.00 2.54 O ATOM 812 OE2 GLU A 54 -6.785 -11.061 -2.626 1.00 1.99 O ATOM 0 H GLU A 54 -11.865 -10.364 -4.594 1.00 0.45 H new ATOM 0 HA GLU A 54 -11.121 -12.740 -3.260 1.00 0.51 H new ATOM 0 HB2 GLU A 54 -9.511 -11.077 -4.034 1.00 0.57 H new ATOM 0 HB3 GLU A 54 -10.213 -9.852 -2.996 1.00 0.57 H new ATOM 0 HG2 GLU A 54 -9.535 -11.149 -0.997 1.00 1.07 H new ATOM 0 HG3 GLU A 54 -8.849 -12.388 -2.027 1.00 1.07 H new ATOM 819 N ALA A 55 -12.504 -10.375 -1.407 1.00 0.43 N ATOM 820 CA ALA A 55 -13.178 -10.123 -0.141 1.00 0.47 C ATOM 821 C ALA A 55 -14.536 -10.818 -0.097 1.00 0.46 C ATOM 822 O ALA A 55 -15.139 -10.952 0.968 1.00 0.53 O ATOM 823 CB ALA A 55 -13.338 -8.627 0.082 1.00 0.50 C ATOM 0 H ALA A 55 -12.465 -9.570 -2.032 1.00 0.43 H new ATOM 0 HA ALA A 55 -12.563 -10.533 0.660 1.00 0.47 H new ATOM 0 HB1 ALA A 55 -13.843 -8.453 1.032 1.00 0.50 H new ATOM 0 HB2 ALA A 55 -12.356 -8.155 0.102 1.00 0.50 H new ATOM 0 HB3 ALA A 55 -13.930 -8.200 -0.728 1.00 0.50 H new ATOM 829 N GLU A 56 -15.012 -11.258 -1.261 1.00 0.41 N ATOM 830 CA GLU A 56 -16.303 -11.935 -1.354 1.00 0.44 C ATOM 831 C GLU A 56 -16.258 -13.311 -0.688 1.00 0.49 C ATOM 832 O GLU A 56 -17.059 -13.605 0.199 1.00 0.63 O ATOM 833 CB GLU A 56 -16.721 -12.082 -2.819 1.00 0.47 C ATOM 834 CG GLU A 56 -18.095 -12.706 -3.005 1.00 0.52 C ATOM 835 CD GLU A 56 -18.450 -12.909 -4.465 1.00 1.26 C ATOM 836 OE1 GLU A 56 -18.992 -11.967 -5.080 1.00 1.66 O ATOM 837 OE2 GLU A 56 -18.186 -14.010 -4.994 1.00 1.95 O ATOM 0 H GLU A 56 -14.523 -11.158 -2.151 1.00 0.41 H new ATOM 0 HA GLU A 56 -17.037 -11.324 -0.829 1.00 0.44 H new ATOM 0 HB2 GLU A 56 -16.712 -11.099 -3.290 1.00 0.47 H new ATOM 0 HB3 GLU A 56 -15.982 -12.692 -3.339 1.00 0.47 H new ATOM 0 HG2 GLU A 56 -18.127 -13.666 -2.490 1.00 0.52 H new ATOM 0 HG3 GLU A 56 -18.846 -12.069 -2.537 1.00 0.52 H new ATOM 844 N ASN A 57 -15.318 -14.149 -1.120 1.00 0.53 N ATOM 845 CA ASN A 57 -15.180 -15.492 -0.564 1.00 0.68 C ATOM 846 C ASN A 57 -14.104 -15.531 0.514 1.00 0.79 C ATOM 847 O ASN A 57 -13.237 -16.405 0.514 1.00 1.19 O ATOM 848 CB ASN A 57 -14.857 -16.500 -1.671 1.00 0.87 C ATOM 849 CG ASN A 57 -13.602 -16.138 -2.440 1.00 1.67 C ATOM 850 OD1 ASN A 57 -13.768 -15.383 -3.519 1.00 2.38 O flip ATOM 851 ND2 ASN A 57 -12.496 -16.535 -2.072 1.00 2.48 N flip ATOM 0 H ASN A 57 -14.643 -13.922 -1.851 1.00 0.53 H new ATOM 0 HA ASN A 57 -16.131 -15.765 -0.106 1.00 0.68 H new ATOM 0 HB2 ASN A 57 -14.737 -17.490 -1.232 1.00 0.87 H new ATOM 0 HB3 ASN A 57 -15.698 -16.558 -2.362 1.00 0.87 H new ATOM 0 HD21 ASN A 57 -12.414 -17.114 -1.236 1.00 2.48 H new ATOM 0 HD22 ASN A 57 -11.662 -16.285 -2.603 1.00 2.48 H new ATOM 858 N ASN A 58 -14.178 -14.580 1.436 1.00 0.84 N ATOM 859 CA ASN A 58 -13.219 -14.494 2.528 1.00 1.03 C ATOM 860 C ASN A 58 -13.818 -13.748 3.714 1.00 1.09 C ATOM 861 O ASN A 58 -13.630 -14.137 4.867 1.00 1.84 O ATOM 862 CB ASN A 58 -11.945 -13.793 2.062 1.00 1.12 C ATOM 863 CG ASN A 58 -11.015 -14.720 1.306 1.00 1.81 C ATOM 864 OD1 ASN A 58 -10.145 -15.406 2.037 1.00 2.48 O flip ATOM 865 ND2 ASN A 58 -11.079 -14.822 0.080 1.00 2.14 N flip ATOM 0 H ASN A 58 -14.895 -13.855 1.449 1.00 0.84 H new ATOM 0 HA ASN A 58 -12.971 -15.507 2.843 1.00 1.03 H new ATOM 0 HB2 ASN A 58 -12.211 -12.951 1.423 1.00 1.12 H new ATOM 0 HB3 ASN A 58 -11.422 -13.385 2.927 1.00 1.12 H new ATOM 0 HD21 ASN A 58 -11.764 -14.275 -0.442 1.00 2.14 H new ATOM 0 HD22 ASN A 58 -10.447 -15.453 -0.413 1.00 2.14 H new ATOM 872 N ASN A 59 -14.541 -12.673 3.420 1.00 1.04 N ATOM 873 CA ASN A 59 -15.174 -11.868 4.458 1.00 1.01 C ATOM 874 C ASN A 59 -16.692 -11.934 4.340 1.00 0.88 C ATOM 875 O ASN A 59 -17.398 -11.040 4.804 1.00 0.91 O ATOM 876 CB ASN A 59 -14.704 -10.416 4.361 1.00 1.08 C ATOM 877 CG ASN A 59 -13.193 -10.295 4.372 1.00 1.31 C ATOM 878 OD1 ASN A 59 -12.589 -10.328 3.190 1.00 2.05 O flip ATOM 879 ND2 ASN A 59 -12.576 -10.174 5.430 1.00 1.51 N flip ATOM 0 H ASN A 59 -14.703 -12.339 2.470 1.00 1.04 H new ATOM 0 HA ASN A 59 -14.884 -12.271 5.428 1.00 1.01 H new ATOM 0 HB2 ASN A 59 -15.095 -9.971 3.446 1.00 1.08 H new ATOM 0 HB3 ASN A 59 -15.117 -9.847 5.194 1.00 1.08 H new ATOM 0 HD21 ASN A 59 -13.081 -10.153 6.316 1.00 1.51 H new ATOM 0 HD22 ASN A 59 -11.559 -10.094 5.421 1.00 1.51 H new ATOM 886 N ASN A 60 -17.181 -13.005 3.713 1.00 0.80 N ATOM 887 CA ASN A 60 -18.616 -13.208 3.521 1.00 0.76 C ATOM 888 C ASN A 60 -19.200 -12.148 2.592 1.00 0.74 C ATOM 889 O ASN A 60 -19.444 -12.411 1.413 1.00 1.42 O ATOM 890 CB ASN A 60 -19.351 -13.195 4.865 1.00 0.86 C ATOM 891 CG ASN A 60 -18.820 -14.237 5.830 1.00 0.95 C ATOM 892 OD1 ASN A 60 -18.344 -15.356 5.294 1.00 1.47 O flip ATOM 893 ND2 ASN A 60 -18.838 -14.041 7.045 1.00 1.19 N flip ATOM 0 H ASN A 60 -16.599 -13.749 3.328 1.00 0.80 H new ATOM 0 HA ASN A 60 -18.754 -14.185 3.057 1.00 0.76 H new ATOM 0 HB2 ASN A 60 -19.259 -12.207 5.316 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -20.413 -13.370 4.696 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -19.212 -13.167 7.415 1.00 1.19 H new ATOM 0 HD22 ASN A 60 -18.478 -14.752 7.682 1.00 1.19 H new ATOM 900 N GLY A 61 -19.426 -10.952 3.127 1.00 0.43 N ATOM 901 CA GLY A 61 -19.979 -9.875 2.326 1.00 0.40 C ATOM 902 C GLY A 61 -19.707 -8.505 2.918 1.00 0.32 C ATOM 903 O GLY A 61 -20.429 -7.548 2.634 1.00 0.38 O ATOM 0 H GLY A 61 -19.236 -10.710 4.099 1.00 0.43 H new ATOM 0 HA2 GLY A 61 -19.558 -9.922 1.322 1.00 0.40 H new ATOM 0 HA3 GLY A 61 -21.055 -10.017 2.228 1.00 0.40 H new ATOM 907 N GLN A 62 -18.666 -8.407 3.741 1.00 0.36 N ATOM 908 CA GLN A 62 -18.311 -7.141 4.369 1.00 0.29 C ATOM 909 C GLN A 62 -16.844 -6.782 4.125 1.00 0.31 C ATOM 910 O GLN A 62 -16.004 -7.649 3.885 1.00 0.38 O ATOM 911 CB GLN A 62 -18.600 -7.186 5.872 1.00 0.27 C ATOM 912 CG GLN A 62 -20.043 -6.854 6.228 1.00 0.27 C ATOM 913 CD GLN A 62 -20.283 -5.362 6.352 1.00 0.23 C ATOM 914 OE1 GLN A 62 -19.521 -4.580 5.604 1.00 0.25 O flip ATOM 915 NE2 GLN A 62 -21.146 -4.918 7.113 1.00 0.21 N flip ATOM 0 H GLN A 62 -18.057 -9.187 3.987 1.00 0.36 H new ATOM 0 HA GLN A 62 -18.926 -6.366 3.912 1.00 0.29 H new ATOM 0 HB2 GLN A 62 -18.362 -8.180 6.249 1.00 0.27 H new ATOM 0 HB3 GLN A 62 -17.939 -6.485 6.381 1.00 0.27 H new ATOM 0 HG2 GLN A 62 -20.705 -7.263 5.465 1.00 0.27 H new ATOM 0 HG3 GLN A 62 -20.303 -7.340 7.169 1.00 0.27 H new ATOM 0 HE21 GLN A 62 -21.711 -5.557 7.672 1.00 0.21 H new ATOM 0 HE22 GLN A 62 -21.295 -3.911 7.184 1.00 0.21 H new ATOM 924 N LEU A 63 -16.563 -5.486 4.189 1.00 0.30 N ATOM 925 CA LEU A 63 -15.221 -4.953 3.978 1.00 0.36 C ATOM 926 C LEU A 63 -14.795 -4.172 5.220 1.00 0.31 C ATOM 927 O LEU A 63 -15.634 -3.570 5.886 1.00 0.27 O ATOM 928 CB LEU A 63 -15.235 -4.050 2.731 1.00 0.45 C ATOM 929 CG LEU A 63 -13.907 -3.856 1.987 1.00 0.79 C ATOM 930 CD1 LEU A 63 -13.056 -2.802 2.671 1.00 1.41 C ATOM 931 CD2 LEU A 63 -13.149 -5.171 1.848 1.00 1.43 C ATOM 0 H LEU A 63 -17.262 -4.771 4.390 1.00 0.30 H new ATOM 0 HA LEU A 63 -14.506 -5.759 3.815 1.00 0.36 H new ATOM 0 HB2 LEU A 63 -15.959 -4.459 2.027 1.00 0.45 H new ATOM 0 HB3 LEU A 63 -15.601 -3.068 3.030 1.00 0.45 H new ATOM 0 HG LEU A 63 -14.137 -3.505 0.981 1.00 0.79 H new ATOM 0 HD11 LEU A 63 -12.119 -2.681 2.127 1.00 1.41 H new ATOM 0 HD12 LEU A 63 -13.593 -1.854 2.685 1.00 1.41 H new ATOM 0 HD13 LEU A 63 -12.844 -3.113 3.694 1.00 1.41 H new ATOM 0 HD21 LEU A 63 -12.213 -4.997 1.316 1.00 1.43 H new ATOM 0 HD22 LEU A 63 -12.935 -5.574 2.838 1.00 1.43 H new ATOM 0 HD23 LEU A 63 -13.756 -5.884 1.290 1.00 1.43 H new ATOM 943 N ASN A 64 -13.501 -4.163 5.529 1.00 0.33 N ATOM 944 CA ASN A 64 -13.026 -3.463 6.720 1.00 0.31 C ATOM 945 C ASN A 64 -12.198 -2.237 6.367 1.00 0.31 C ATOM 946 O ASN A 64 -11.620 -2.153 5.283 1.00 0.33 O ATOM 947 CB ASN A 64 -12.173 -4.383 7.597 1.00 0.34 C ATOM 948 CG ASN A 64 -12.477 -5.854 7.403 1.00 0.53 C ATOM 949 OD1 ASN A 64 -13.599 -6.238 7.078 1.00 1.19 O ATOM 950 ND2 ASN A 64 -11.460 -6.687 7.597 1.00 0.99 N ATOM 0 H ASN A 64 -12.773 -4.624 4.982 1.00 0.33 H new ATOM 0 HA ASN A 64 -13.917 -3.149 7.264 1.00 0.31 H new ATOM 0 HB2 ASN A 64 -11.120 -4.206 7.379 1.00 0.34 H new ATOM 0 HB3 ASN A 64 -12.330 -4.122 8.644 1.00 0.34 H new ATOM 0 HD21 ASN A 64 -11.593 -7.691 7.477 1.00 0.99 H new ATOM 0 HD22 ASN A 64 -10.546 -6.322 7.866 1.00 0.99 H new ATOM 957 N PHE A 65 -12.151 -1.289 7.295 1.00 0.30 N ATOM 958 CA PHE A 65 -11.390 -0.064 7.104 1.00 0.30 C ATOM 959 C PHE A 65 -9.954 -0.379 6.693 1.00 0.29 C ATOM 960 O PHE A 65 -9.334 0.379 5.949 1.00 0.31 O ATOM 961 CB PHE A 65 -11.404 0.764 8.393 1.00 0.32 C ATOM 962 CG PHE A 65 -10.463 1.934 8.375 1.00 0.33 C ATOM 963 CD1 PHE A 65 -10.774 3.080 7.663 1.00 0.37 C ATOM 964 CD2 PHE A 65 -9.267 1.887 9.074 1.00 0.35 C ATOM 965 CE1 PHE A 65 -9.911 4.158 7.647 1.00 0.40 C ATOM 966 CE2 PHE A 65 -8.399 2.962 9.062 1.00 0.38 C ATOM 967 CZ PHE A 65 -8.721 4.099 8.348 1.00 0.39 C ATOM 0 H PHE A 65 -12.634 -1.347 8.191 1.00 0.30 H new ATOM 0 HA PHE A 65 -11.854 0.513 6.305 1.00 0.30 H new ATOM 0 HB2 PHE A 65 -12.417 1.127 8.569 1.00 0.32 H new ATOM 0 HB3 PHE A 65 -11.147 0.117 9.232 1.00 0.32 H new ATOM 0 HD1 PHE A 65 -11.702 3.131 7.114 1.00 0.37 H new ATOM 0 HD2 PHE A 65 -9.011 1.000 9.634 1.00 0.35 H new ATOM 0 HE1 PHE A 65 -10.165 5.046 7.088 1.00 0.40 H new ATOM 0 HE2 PHE A 65 -7.470 2.913 9.610 1.00 0.38 H new ATOM 0 HZ PHE A 65 -8.044 4.941 8.337 1.00 0.39 H new ATOM 977 N THR A 66 -9.437 -1.506 7.173 1.00 0.31 N ATOM 978 CA THR A 66 -8.074 -1.916 6.854 1.00 0.32 C ATOM 979 C THR A 66 -7.971 -2.498 5.454 1.00 0.31 C ATOM 980 O THR A 66 -6.968 -2.300 4.769 1.00 0.30 O ATOM 981 CB THR A 66 -7.540 -2.949 7.856 1.00 0.40 C ATOM 982 OG1 THR A 66 -8.624 -3.673 8.453 1.00 0.56 O ATOM 983 CG2 THR A 66 -6.716 -2.266 8.930 1.00 0.81 C ATOM 0 H THR A 66 -9.940 -2.150 7.783 1.00 0.31 H new ATOM 0 HA THR A 66 -7.468 -1.012 6.912 1.00 0.32 H new ATOM 0 HB THR A 66 -6.903 -3.652 7.319 1.00 0.40 H new ATOM 0 HG1 THR A 66 -8.269 -4.329 9.088 1.00 0.56 H new ATOM 0 HG21 THR A 66 -6.344 -3.012 9.633 1.00 0.81 H new ATOM 0 HG22 THR A 66 -5.874 -1.750 8.469 1.00 0.81 H new ATOM 0 HG23 THR A 66 -7.337 -1.544 9.461 1.00 0.81 H new ATOM 991 N GLU A 67 -8.995 -3.228 5.035 1.00 0.34 N ATOM 992 CA GLU A 67 -8.996 -3.825 3.709 1.00 0.37 C ATOM 993 C GLU A 67 -8.982 -2.733 2.644 1.00 0.32 C ATOM 994 O GLU A 67 -8.206 -2.794 1.688 1.00 0.35 O ATOM 995 CB GLU A 67 -10.215 -4.729 3.536 1.00 0.42 C ATOM 996 CG GLU A 67 -10.221 -5.927 4.474 1.00 0.49 C ATOM 997 CD GLU A 67 -9.002 -6.811 4.304 1.00 0.88 C ATOM 998 OE1 GLU A 67 -9.056 -7.745 3.475 1.00 1.36 O ATOM 999 OE2 GLU A 67 -7.992 -6.571 4.998 1.00 1.21 O ATOM 0 H GLU A 67 -9.829 -3.420 5.590 1.00 0.34 H new ATOM 0 HA GLU A 67 -8.099 -4.433 3.595 1.00 0.37 H new ATOM 0 HB2 GLU A 67 -11.119 -4.143 3.703 1.00 0.42 H new ATOM 0 HB3 GLU A 67 -10.251 -5.084 2.506 1.00 0.42 H new ATOM 0 HG2 GLU A 67 -10.269 -5.576 5.505 1.00 0.49 H new ATOM 0 HG3 GLU A 67 -11.120 -6.517 4.297 1.00 0.49 H new ATOM 1006 N PHE A 68 -9.839 -1.730 2.820 1.00 0.29 N ATOM 1007 CA PHE A 68 -9.915 -0.615 1.883 1.00 0.27 C ATOM 1008 C PHE A 68 -8.649 0.232 1.958 1.00 0.26 C ATOM 1009 O PHE A 68 -8.022 0.509 0.938 1.00 0.32 O ATOM 1010 CB PHE A 68 -11.140 0.255 2.174 1.00 0.26 C ATOM 1011 CG PHE A 68 -11.336 1.377 1.190 1.00 0.30 C ATOM 1012 CD1 PHE A 68 -11.387 1.127 -0.172 1.00 0.38 C ATOM 1013 CD2 PHE A 68 -11.477 2.683 1.633 1.00 0.35 C ATOM 1014 CE1 PHE A 68 -11.576 2.156 -1.074 1.00 0.48 C ATOM 1015 CE2 PHE A 68 -11.665 3.715 0.735 1.00 0.45 C ATOM 1016 CZ PHE A 68 -11.715 3.452 -0.619 1.00 0.51 C ATOM 0 H PHE A 68 -10.490 -1.668 3.603 1.00 0.29 H new ATOM 0 HA PHE A 68 -10.008 -1.025 0.877 1.00 0.27 H new ATOM 0 HB2 PHE A 68 -12.030 -0.375 2.174 1.00 0.26 H new ATOM 0 HB3 PHE A 68 -11.046 0.675 3.176 1.00 0.26 H new ATOM 0 HD1 PHE A 68 -11.278 0.115 -0.533 1.00 0.38 H new ATOM 0 HD2 PHE A 68 -11.439 2.895 2.691 1.00 0.35 H new ATOM 0 HE1 PHE A 68 -11.615 1.947 -2.133 1.00 0.48 H new ATOM 0 HE2 PHE A 68 -11.773 4.728 1.092 1.00 0.45 H new ATOM 0 HZ PHE A 68 -11.863 4.259 -1.322 1.00 0.51 H new ATOM 1026 N CYS A 69 -8.280 0.638 3.174 1.00 0.23 N ATOM 1027 CA CYS A 69 -7.083 1.450 3.380 1.00 0.23 C ATOM 1028 C CYS A 69 -5.876 0.774 2.745 1.00 0.27 C ATOM 1029 O CYS A 69 -5.080 1.415 2.057 1.00 0.31 O ATOM 1030 CB CYS A 69 -6.822 1.659 4.873 1.00 0.23 C ATOM 1031 SG CYS A 69 -5.958 3.193 5.273 1.00 0.75 S ATOM 0 H CYS A 69 -8.792 0.418 4.028 1.00 0.23 H new ATOM 0 HA CYS A 69 -7.245 2.420 2.911 1.00 0.23 H new ATOM 0 HB2 CYS A 69 -7.775 1.645 5.401 1.00 0.23 H new ATOM 0 HB3 CYS A 69 -6.238 0.819 5.248 1.00 0.23 H new ATOM 0 HG CYS A 69 -6.697 4.208 4.935 1.00 0.75 H new ATOM 1037 N GLY A 70 -5.750 -0.528 2.989 1.00 0.30 N ATOM 1038 CA GLY A 70 -4.650 -1.287 2.432 1.00 0.35 C ATOM 1039 C GLY A 70 -4.546 -1.103 0.932 1.00 0.37 C ATOM 1040 O GLY A 70 -3.478 -0.778 0.403 1.00 0.41 O ATOM 0 H GLY A 70 -6.394 -1.070 3.565 1.00 0.30 H new ATOM 0 HA2 GLY A 70 -3.718 -0.975 2.903 1.00 0.35 H new ATOM 0 HA3 GLY A 70 -4.785 -2.344 2.661 1.00 0.35 H new ATOM 1044 N ILE A 71 -5.665 -1.303 0.244 1.00 0.37 N ATOM 1045 CA ILE A 71 -5.700 -1.146 -1.200 1.00 0.41 C ATOM 1046 C ILE A 71 -5.365 0.281 -1.590 1.00 0.40 C ATOM 1047 O ILE A 71 -4.679 0.522 -2.578 1.00 0.44 O ATOM 1048 CB ILE A 71 -7.068 -1.507 -1.785 1.00 0.42 C ATOM 1049 CG1 ILE A 71 -7.371 -2.979 -1.530 1.00 0.47 C ATOM 1050 CG2 ILE A 71 -7.089 -1.193 -3.276 1.00 0.46 C ATOM 1051 CD1 ILE A 71 -8.838 -3.263 -1.296 1.00 0.51 C ATOM 0 H ILE A 71 -6.555 -1.573 0.663 1.00 0.37 H new ATOM 0 HA ILE A 71 -4.956 -1.831 -1.607 1.00 0.41 H new ATOM 0 HB ILE A 71 -7.841 -0.912 -1.298 1.00 0.42 H new ATOM 0 HG12 ILE A 71 -7.027 -3.565 -2.382 1.00 0.47 H new ATOM 0 HG13 ILE A 71 -6.802 -3.314 -0.663 1.00 0.47 H new ATOM 0 HG21 ILE A 71 -8.064 -1.451 -3.689 1.00 0.46 H new ATOM 0 HG22 ILE A 71 -6.901 -0.130 -3.427 1.00 0.46 H new ATOM 0 HG23 ILE A 71 -6.316 -1.773 -3.781 1.00 0.46 H new ATOM 0 HD11 ILE A 71 -8.979 -4.330 -1.122 1.00 0.51 H new ATOM 0 HD12 ILE A 71 -9.182 -2.704 -0.426 1.00 0.51 H new ATOM 0 HD13 ILE A 71 -9.412 -2.960 -2.172 1.00 0.51 H new ATOM 1063 N MET A 72 -5.871 1.224 -0.813 1.00 0.38 N ATOM 1064 CA MET A 72 -5.618 2.633 -1.073 1.00 0.41 C ATOM 1065 C MET A 72 -4.123 2.904 -1.071 1.00 0.45 C ATOM 1066 O MET A 72 -3.642 3.794 -1.766 1.00 0.52 O ATOM 1067 CB MET A 72 -6.301 3.518 -0.030 1.00 0.39 C ATOM 1068 CG MET A 72 -7.810 3.356 0.024 1.00 0.41 C ATOM 1069 SD MET A 72 -8.667 4.938 0.108 1.00 1.01 S ATOM 1070 CE MET A 72 -8.282 5.611 -1.505 1.00 0.58 C ATOM 0 H MET A 72 -6.458 1.041 0.001 1.00 0.38 H new ATOM 0 HA MET A 72 -6.031 2.873 -2.053 1.00 0.41 H new ATOM 0 HB2 MET A 72 -5.886 3.291 0.952 1.00 0.39 H new ATOM 0 HB3 MET A 72 -6.065 4.561 -0.243 1.00 0.39 H new ATOM 0 HG2 MET A 72 -8.146 2.810 -0.858 1.00 0.41 H new ATOM 0 HG3 MET A 72 -8.077 2.754 0.893 1.00 0.41 H new ATOM 0 HE1 MET A 72 -8.160 6.691 -1.429 1.00 0.58 H new ATOM 0 HE2 MET A 72 -7.357 5.167 -1.873 1.00 0.58 H new ATOM 0 HE3 MET A 72 -9.094 5.385 -2.197 1.00 0.58 H new ATOM 1080 N ALA A 73 -3.392 2.124 -0.284 1.00 0.46 N ATOM 1081 CA ALA A 73 -1.948 2.271 -0.192 1.00 0.53 C ATOM 1082 C ALA A 73 -1.275 1.816 -1.480 1.00 0.59 C ATOM 1083 O ALA A 73 -0.393 2.497 -2.004 1.00 0.70 O ATOM 1084 CB ALA A 73 -1.410 1.483 0.993 1.00 0.54 C ATOM 0 H ALA A 73 -3.778 1.382 0.300 1.00 0.46 H new ATOM 0 HA ALA A 73 -1.721 3.327 -0.042 1.00 0.53 H new ATOM 0 HB1 ALA A 73 -0.328 1.603 1.049 1.00 0.54 H new ATOM 0 HB2 ALA A 73 -1.864 1.853 1.912 1.00 0.54 H new ATOM 0 HB3 ALA A 73 -1.652 0.428 0.868 1.00 0.54 H new ATOM 1090 N LYS A 74 -1.700 0.662 -1.989 1.00 0.55 N ATOM 1091 CA LYS A 74 -1.126 0.118 -3.217 1.00 0.62 C ATOM 1092 C LYS A 74 -1.629 0.860 -4.455 1.00 0.63 C ATOM 1093 O LYS A 74 -0.954 0.883 -5.486 1.00 0.70 O ATOM 1094 CB LYS A 74 -1.436 -1.377 -3.341 1.00 0.63 C ATOM 1095 CG LYS A 74 -2.913 -1.705 -3.388 1.00 0.65 C ATOM 1096 CD LYS A 74 -3.136 -3.207 -3.491 1.00 0.74 C ATOM 1097 CE LYS A 74 -4.589 -3.544 -3.775 1.00 0.73 C ATOM 1098 NZ LYS A 74 -4.815 -5.015 -3.843 1.00 1.38 N ATOM 0 H LYS A 74 -2.435 0.089 -1.574 1.00 0.55 H new ATOM 0 HA LYS A 74 -0.046 0.256 -3.158 1.00 0.62 H new ATOM 0 HB2 LYS A 74 -0.962 -1.761 -4.244 1.00 0.63 H new ATOM 0 HB3 LYS A 74 -0.986 -1.901 -2.497 1.00 0.63 H new ATOM 0 HG2 LYS A 74 -3.403 -1.322 -2.493 1.00 0.65 H new ATOM 0 HG3 LYS A 74 -3.373 -1.206 -4.241 1.00 0.65 H new ATOM 0 HD2 LYS A 74 -2.507 -3.614 -4.283 1.00 0.74 H new ATOM 0 HD3 LYS A 74 -2.827 -3.685 -2.561 1.00 0.74 H new ATOM 0 HE2 LYS A 74 -5.220 -3.115 -2.996 1.00 0.73 H new ATOM 0 HE3 LYS A 74 -4.890 -3.086 -4.717 1.00 0.73 H new ATOM 0 HZ1 LYS A 74 -5.819 -5.203 -4.038 1.00 1.38 H new ATOM 0 HZ2 LYS A 74 -4.232 -5.421 -4.603 1.00 1.38 H new ATOM 0 HZ3 LYS A 74 -4.552 -5.449 -2.935 1.00 1.38 H new ATOM 1112 N GLN A 75 -2.811 1.462 -4.355 1.00 0.59 N ATOM 1113 CA GLN A 75 -3.390 2.189 -5.477 1.00 0.63 C ATOM 1114 C GLN A 75 -2.820 3.597 -5.562 1.00 0.67 C ATOM 1115 O GLN A 75 -2.488 4.083 -6.642 1.00 0.79 O ATOM 1116 CB GLN A 75 -4.910 2.238 -5.359 1.00 0.63 C ATOM 1117 CG GLN A 75 -5.575 3.053 -6.459 1.00 1.04 C ATOM 1118 CD GLN A 75 -7.027 2.674 -6.681 1.00 1.23 C ATOM 1119 OE1 GLN A 75 -7.849 3.514 -7.047 1.00 1.98 O ATOM 1120 NE2 GLN A 75 -7.349 1.403 -6.473 1.00 1.54 N ATOM 0 H GLN A 75 -3.384 1.460 -3.511 1.00 0.59 H new ATOM 0 HA GLN A 75 -3.130 1.658 -6.393 1.00 0.63 H new ATOM 0 HB2 GLN A 75 -5.302 1.221 -5.383 1.00 0.63 H new ATOM 0 HB3 GLN A 75 -5.179 2.661 -4.391 1.00 0.63 H new ATOM 0 HG2 GLN A 75 -5.516 4.112 -6.206 1.00 1.04 H new ATOM 0 HG3 GLN A 75 -5.023 2.917 -7.389 1.00 1.04 H new ATOM 0 HE21 GLN A 75 -6.636 0.739 -6.170 1.00 1.54 H new ATOM 0 HE22 GLN A 75 -8.309 1.090 -6.616 1.00 1.54 H new ATOM 1129 N MET A 76 -2.723 4.250 -4.413 1.00 0.65 N ATOM 1130 CA MET A 76 -2.192 5.600 -4.343 1.00 0.73 C ATOM 1131 C MET A 76 -0.731 5.647 -4.779 1.00 0.89 C ATOM 1132 O MET A 76 -0.311 6.574 -5.471 1.00 1.06 O ATOM 1133 CB MET A 76 -2.323 6.138 -2.924 1.00 0.76 C ATOM 1134 CG MET A 76 -3.688 6.732 -2.622 1.00 0.80 C ATOM 1135 SD MET A 76 -3.692 7.737 -1.127 1.00 1.20 S ATOM 1136 CE MET A 76 -5.450 7.905 -0.843 1.00 0.75 C ATOM 0 H MET A 76 -3.007 3.863 -3.513 1.00 0.65 H new ATOM 0 HA MET A 76 -2.770 6.223 -5.025 1.00 0.73 H new ATOM 0 HB2 MET A 76 -2.123 5.331 -2.219 1.00 0.76 H new ATOM 0 HB3 MET A 76 -1.561 6.900 -2.761 1.00 0.76 H new ATOM 0 HG2 MET A 76 -4.009 7.342 -3.466 1.00 0.80 H new ATOM 0 HG3 MET A 76 -4.415 5.927 -2.516 1.00 0.80 H new ATOM 0 HE1 MET A 76 -5.708 8.962 -0.775 1.00 0.75 H new ATOM 0 HE2 MET A 76 -5.997 7.450 -1.669 1.00 0.75 H new ATOM 0 HE3 MET A 76 -5.718 7.405 0.088 1.00 0.75 H new ATOM 1211 N THR A 81 5.564 4.877 -7.498 1.00 5.18 N ATOM 1212 CA THR A 81 6.102 3.513 -7.408 1.00 6.15 C ATOM 1213 C THR A 81 7.137 3.233 -8.497 1.00 6.80 C ATOM 1214 O THR A 81 6.808 2.686 -9.549 1.00 7.13 O ATOM 1215 CB THR A 81 4.982 2.459 -7.496 1.00 6.60 C ATOM 1216 OG1 THR A 81 4.004 2.696 -6.478 1.00 7.29 O ATOM 1217 CG2 THR A 81 5.546 1.057 -7.333 1.00 6.89 C ATOM 0 HA THR A 81 6.589 3.442 -6.435 1.00 6.15 H new ATOM 0 HB THR A 81 4.517 2.540 -8.478 1.00 6.60 H new ATOM 0 HG1 THR A 81 3.964 3.655 -6.279 1.00 7.29 H new ATOM 0 HG21 THR A 81 4.737 0.329 -7.399 1.00 6.89 H new ATOM 0 HG22 THR A 81 6.273 0.863 -8.122 1.00 6.89 H new ATOM 0 HG23 THR A 81 6.033 0.971 -6.362 1.00 6.89 H new ATOM 1225 N GLU A 82 8.391 3.589 -8.217 1.00 7.25 N ATOM 1226 CA GLU A 82 9.492 3.403 -9.164 1.00 8.05 C ATOM 1227 C GLU A 82 9.467 2.023 -9.826 1.00 8.92 C ATOM 1228 O GLU A 82 9.703 1.900 -11.031 1.00 9.53 O ATOM 1229 CB GLU A 82 10.832 3.612 -8.457 1.00 8.64 C ATOM 1230 CG GLU A 82 12.024 3.600 -9.398 1.00 8.69 C ATOM 1231 CD GLU A 82 13.330 3.906 -8.691 1.00 9.34 C ATOM 1232 OE1 GLU A 82 13.697 5.097 -8.612 1.00 9.74 O ATOM 1233 OE2 GLU A 82 13.986 2.954 -8.219 1.00 9.63 O ATOM 0 H GLU A 82 8.672 4.012 -7.332 1.00 7.25 H new ATOM 0 HA GLU A 82 9.366 4.146 -9.952 1.00 8.05 H new ATOM 0 HB2 GLU A 82 10.809 4.564 -7.926 1.00 8.64 H new ATOM 0 HB3 GLU A 82 10.963 2.832 -7.707 1.00 8.64 H new ATOM 0 HG2 GLU A 82 12.095 2.623 -9.876 1.00 8.69 H new ATOM 0 HG3 GLU A 82 11.864 4.332 -10.190 1.00 8.69 H new ATOM 1240 N GLU A 83 9.182 0.991 -9.040 1.00 9.15 N ATOM 1241 CA GLU A 83 9.142 -0.376 -9.555 1.00 10.17 C ATOM 1242 C GLU A 83 8.170 -0.508 -10.728 1.00 10.27 C ATOM 1243 O GLU A 83 8.541 -0.980 -11.805 1.00 11.05 O ATOM 1244 CB GLU A 83 8.750 -1.349 -8.442 1.00 10.55 C ATOM 1245 CG GLU A 83 9.779 -1.442 -7.327 1.00 10.83 C ATOM 1246 CD GLU A 83 9.348 -2.375 -6.212 1.00 11.60 C ATOM 1247 OE1 GLU A 83 9.545 -3.600 -6.355 1.00 11.85 O ATOM 1248 OE2 GLU A 83 8.817 -1.881 -5.196 1.00 12.11 O ATOM 0 H GLU A 83 8.975 1.073 -8.045 1.00 9.15 H new ATOM 0 HA GLU A 83 10.140 -0.622 -9.916 1.00 10.17 H new ATOM 0 HB2 GLU A 83 7.795 -1.039 -8.019 1.00 10.55 H new ATOM 0 HB3 GLU A 83 8.601 -2.340 -8.872 1.00 10.55 H new ATOM 0 HG2 GLU A 83 10.726 -1.789 -7.740 1.00 10.83 H new ATOM 0 HG3 GLU A 83 9.955 -0.448 -6.916 1.00 10.83 H new ATOM 1255 N GLU A 84 6.927 -0.089 -10.513 1.00 9.63 N ATOM 1256 CA GLU A 84 5.900 -0.170 -11.545 1.00 9.95 C ATOM 1257 C GLU A 84 6.252 0.697 -12.749 1.00 9.87 C ATOM 1258 O GLU A 84 5.712 0.506 -13.839 1.00 10.51 O ATOM 1259 CB GLU A 84 4.544 0.253 -10.975 1.00 9.47 C ATOM 1260 CG GLU A 84 3.383 0.015 -11.926 1.00 9.88 C ATOM 1261 CD GLU A 84 2.049 0.422 -11.331 1.00 10.40 C ATOM 1262 OE1 GLU A 84 1.450 -0.396 -10.602 1.00 10.87 O ATOM 1263 OE2 GLU A 84 1.605 1.559 -11.593 1.00 10.49 O ATOM 0 H GLU A 84 6.606 0.311 -9.631 1.00 9.63 H new ATOM 0 HA GLU A 84 5.843 -1.206 -11.879 1.00 9.95 H new ATOM 0 HB2 GLU A 84 4.362 -0.293 -10.049 1.00 9.47 H new ATOM 0 HB3 GLU A 84 4.581 1.312 -10.719 1.00 9.47 H new ATOM 0 HG2 GLU A 84 3.552 0.574 -12.846 1.00 9.88 H new ATOM 0 HG3 GLU A 84 3.350 -1.041 -12.196 1.00 9.88 H new ATOM 1270 N MET A 85 7.160 1.649 -12.552 1.00 9.31 N ATOM 1271 CA MET A 85 7.574 2.533 -13.634 1.00 9.45 C ATOM 1272 C MET A 85 8.485 1.787 -14.590 1.00 10.49 C ATOM 1273 O MET A 85 8.454 2.005 -15.800 1.00 11.09 O ATOM 1274 CB MET A 85 8.296 3.761 -13.082 1.00 8.75 C ATOM 1275 CG MET A 85 7.643 4.338 -11.842 1.00 7.71 C ATOM 1276 SD MET A 85 8.333 5.934 -11.366 1.00 7.19 S ATOM 1277 CE MET A 85 6.958 7.022 -11.729 1.00 6.73 C ATOM 0 H MET A 85 7.620 1.826 -11.659 1.00 9.31 H new ATOM 0 HA MET A 85 6.684 2.865 -14.168 1.00 9.45 H new ATOM 0 HB2 MET A 85 9.327 3.493 -12.849 1.00 8.75 H new ATOM 0 HB3 MET A 85 8.333 4.529 -13.855 1.00 8.75 H new ATOM 0 HG2 MET A 85 6.573 4.448 -12.018 1.00 7.71 H new ATOM 0 HG3 MET A 85 7.759 3.636 -11.016 1.00 7.71 H new ATOM 0 HE1 MET A 85 6.980 7.875 -11.051 1.00 6.73 H new ATOM 0 HE2 MET A 85 7.034 7.374 -12.758 1.00 6.73 H new ATOM 0 HE3 MET A 85 6.021 6.480 -11.600 1.00 6.73 H new ATOM 1287 N ARG A 86 9.301 0.902 -14.030 1.00 10.82 N ATOM 1288 CA ARG A 86 10.220 0.107 -14.825 1.00 11.88 C ATOM 1289 C ARG A 86 9.451 -0.892 -15.680 1.00 12.66 C ATOM 1290 O ARG A 86 9.655 -0.972 -16.891 1.00 13.43 O ATOM 1291 CB ARG A 86 11.205 -0.626 -13.918 1.00 12.21 C ATOM 1292 CG ARG A 86 12.558 -0.857 -14.559 1.00 13.16 C ATOM 1293 CD ARG A 86 13.501 -1.576 -13.612 1.00 13.63 C ATOM 1294 NE ARG A 86 13.551 -0.938 -12.299 1.00 14.25 N ATOM 1295 CZ ARG A 86 14.034 -1.525 -11.209 1.00 14.86 C ATOM 1296 NH1 ARG A 86 14.505 -2.764 -11.271 1.00 14.96 N ATOM 1297 NH2 ARG A 86 14.045 -0.876 -10.054 1.00 15.52 N ATOM 0 H ARG A 86 9.343 0.719 -13.027 1.00 10.82 H new ATOM 0 HA ARG A 86 10.778 0.774 -15.483 1.00 11.88 H new ATOM 0 HB2 ARG A 86 11.339 -0.052 -13.001 1.00 12.21 H new ATOM 0 HB3 ARG A 86 10.778 -1.587 -13.633 1.00 12.21 H new ATOM 0 HG2 ARG A 86 12.436 -1.444 -15.469 1.00 13.16 H new ATOM 0 HG3 ARG A 86 12.992 0.099 -14.852 1.00 13.16 H new ATOM 0 HD2 ARG A 86 13.181 -2.612 -13.500 1.00 13.63 H new ATOM 0 HD3 ARG A 86 14.502 -1.596 -14.043 1.00 13.63 H new ATOM 0 HE ARG A 86 13.194 0.014 -12.214 1.00 14.25 H new ATOM 0 HH11 ARG A 86 14.497 -3.269 -12.157 1.00 14.96 H new ATOM 0 HH12 ARG A 86 14.875 -3.212 -10.432 1.00 14.96 H new ATOM 0 HH21 ARG A 86 13.682 0.076 -10.000 1.00 15.52 H new ATOM 0 HH22 ARG A 86 14.416 -1.328 -9.218 1.00 15.52 H new ATOM 1311 N GLU A 87 8.566 -1.651 -15.040 1.00 12.58 N ATOM 1312 CA GLU A 87 7.754 -2.637 -15.746 1.00 13.44 C ATOM 1313 C GLU A 87 6.927 -1.965 -16.838 1.00 13.54 C ATOM 1314 O GLU A 87 6.760 -2.509 -17.931 1.00 14.45 O ATOM 1315 CB GLU A 87 6.831 -3.368 -14.768 1.00 13.42 C ATOM 1316 CG GLU A 87 7.572 -4.065 -13.638 1.00 14.12 C ATOM 1317 CD GLU A 87 8.597 -5.062 -14.140 1.00 14.57 C ATOM 1318 OE1 GLU A 87 8.212 -6.215 -14.428 1.00 14.85 O ATOM 1319 OE2 GLU A 87 9.785 -4.692 -14.246 1.00 14.77 O ATOM 0 H GLU A 87 8.393 -1.602 -14.036 1.00 12.58 H new ATOM 0 HA GLU A 87 8.423 -3.363 -16.209 1.00 13.44 H new ATOM 0 HB2 GLU A 87 6.126 -2.653 -14.343 1.00 13.42 H new ATOM 0 HB3 GLU A 87 6.245 -4.105 -15.316 1.00 13.42 H new ATOM 0 HG2 GLU A 87 8.070 -3.318 -13.020 1.00 14.12 H new ATOM 0 HG3 GLU A 87 6.853 -4.579 -13.000 1.00 14.12 H new ATOM 1326 N ALA A 88 6.412 -0.777 -16.532 1.00 12.70 N ATOM 1327 CA ALA A 88 5.610 -0.022 -17.487 1.00 12.92 C ATOM 1328 C ALA A 88 6.480 0.495 -18.626 1.00 13.38 C ATOM 1329 O ALA A 88 6.029 0.602 -19.767 1.00 14.11 O ATOM 1330 CB ALA A 88 4.903 1.131 -16.791 1.00 12.02 C ATOM 0 H ALA A 88 6.536 -0.318 -15.630 1.00 12.70 H new ATOM 0 HA ALA A 88 4.856 -0.688 -17.907 1.00 12.92 H new ATOM 0 HB1 ALA A 88 4.308 1.685 -17.517 1.00 12.02 H new ATOM 0 HB2 ALA A 88 4.250 0.740 -16.011 1.00 12.02 H new ATOM 0 HB3 ALA A 88 5.643 1.796 -16.345 1.00 12.02 H new ATOM 1336 N PHE A 89 7.731 0.812 -18.305 1.00 13.10 N ATOM 1337 CA PHE A 89 8.672 1.310 -19.299 1.00 13.68 C ATOM 1338 C PHE A 89 8.992 0.221 -20.313 1.00 14.81 C ATOM 1339 O PHE A 89 9.295 0.500 -21.473 1.00 15.53 O ATOM 1340 CB PHE A 89 9.956 1.787 -18.614 1.00 13.32 C ATOM 1341 CG PHE A 89 11.018 2.250 -19.571 1.00 14.09 C ATOM 1342 CD1 PHE A 89 10.792 3.331 -20.408 1.00 14.41 C ATOM 1343 CD2 PHE A 89 12.242 1.605 -19.632 1.00 14.63 C ATOM 1344 CE1 PHE A 89 11.767 3.760 -21.287 1.00 15.22 C ATOM 1345 CE2 PHE A 89 13.221 2.028 -20.510 1.00 15.44 C ATOM 1346 CZ PHE A 89 12.982 3.107 -21.338 1.00 15.73 C ATOM 0 H PHE A 89 8.115 0.732 -17.363 1.00 13.10 H new ATOM 0 HA PHE A 89 8.218 2.152 -19.822 1.00 13.68 H new ATOM 0 HB2 PHE A 89 9.712 2.603 -17.934 1.00 13.32 H new ATOM 0 HB3 PHE A 89 10.356 0.975 -18.007 1.00 13.32 H new ATOM 0 HD1 PHE A 89 9.842 3.844 -20.373 1.00 14.41 H new ATOM 0 HD2 PHE A 89 12.433 0.761 -18.985 1.00 14.63 H new ATOM 0 HE1 PHE A 89 11.579 4.605 -21.933 1.00 15.22 H new ATOM 0 HE2 PHE A 89 14.171 1.516 -20.549 1.00 15.44 H new ATOM 0 HZ PHE A 89 13.746 3.440 -22.025 1.00 15.73 H new ATOM 1356 N LYS A 90 8.916 -1.022 -19.858 1.00 15.06 N ATOM 1357 CA LYS A 90 9.189 -2.174 -20.709 1.00 16.18 C ATOM 1358 C LYS A 90 8.051 -2.404 -21.696 1.00 16.76 C ATOM 1359 O LYS A 90 8.284 -2.617 -22.887 1.00 17.66 O ATOM 1360 CB LYS A 90 9.392 -3.426 -19.854 1.00 16.38 C ATOM 1361 CG LYS A 90 10.550 -3.311 -18.873 1.00 16.21 C ATOM 1362 CD LYS A 90 10.540 -4.431 -17.848 1.00 16.55 C ATOM 1363 CE LYS A 90 10.619 -5.802 -18.502 1.00 16.86 C ATOM 1364 NZ LYS A 90 11.835 -5.946 -19.350 1.00 17.18 N ATOM 0 H LYS A 90 8.666 -1.260 -18.898 1.00 15.06 H new ATOM 0 HA LYS A 90 10.100 -1.970 -21.272 1.00 16.18 H new ATOM 0 HB2 LYS A 90 8.476 -3.630 -19.300 1.00 16.38 H new ATOM 0 HB3 LYS A 90 9.565 -4.280 -20.509 1.00 16.38 H new ATOM 0 HG2 LYS A 90 11.492 -3.329 -19.421 1.00 16.21 H new ATOM 0 HG3 LYS A 90 10.497 -2.350 -18.361 1.00 16.21 H new ATOM 0 HD2 LYS A 90 11.381 -4.306 -17.166 1.00 16.55 H new ATOM 0 HD3 LYS A 90 9.631 -4.367 -17.249 1.00 16.55 H new ATOM 0 HE2 LYS A 90 10.622 -6.572 -17.731 1.00 16.86 H new ATOM 0 HE3 LYS A 90 9.730 -5.965 -19.112 1.00 16.86 H new ATOM 0 HZ1 LYS A 90 11.932 -6.936 -19.653 1.00 17.18 H new ATOM 0 HZ2 LYS A 90 11.749 -5.334 -20.187 1.00 17.18 H new ATOM 0 HZ3 LYS A 90 12.675 -5.668 -18.803 1.00 17.18 H new ATOM 1378 N ILE A 91 6.821 -2.361 -21.193 1.00 16.32 N ATOM 1379 CA ILE A 91 5.645 -2.570 -22.029 1.00 16.96 C ATOM 1380 C ILE A 91 5.585 -1.551 -23.164 1.00 17.21 C ATOM 1381 O ILE A 91 5.410 -1.915 -24.327 1.00 18.15 O ATOM 1382 CB ILE A 91 4.345 -2.488 -21.206 1.00 16.50 C ATOM 1383 CG1 ILE A 91 4.360 -3.537 -20.091 1.00 16.43 C ATOM 1384 CG2 ILE A 91 3.131 -2.681 -22.108 1.00 17.34 C ATOM 1385 CD1 ILE A 91 3.169 -3.454 -19.160 1.00 16.26 C ATOM 0 H ILE A 91 6.613 -2.183 -20.210 1.00 16.32 H new ATOM 0 HA ILE A 91 5.734 -3.571 -22.451 1.00 16.96 H new ATOM 0 HB ILE A 91 4.280 -1.499 -20.752 1.00 16.50 H new ATOM 0 HG12 ILE A 91 4.391 -4.530 -20.539 1.00 16.43 H new ATOM 0 HG13 ILE A 91 5.274 -3.422 -19.508 1.00 16.43 H new ATOM 0 HG21 ILE A 91 2.221 -2.620 -21.511 1.00 17.34 H new ATOM 0 HG22 ILE A 91 3.117 -1.903 -22.871 1.00 17.34 H new ATOM 0 HG23 ILE A 91 3.186 -3.658 -22.588 1.00 17.34 H new ATOM 0 HD11 ILE A 91 3.249 -4.228 -18.397 1.00 16.26 H new ATOM 0 HD12 ILE A 91 3.148 -2.474 -18.683 1.00 16.26 H new ATOM 0 HD13 ILE A 91 2.251 -3.600 -19.730 1.00 16.26 H new ATOM 1397 N PHE A 92 5.723 -0.274 -22.819 1.00 16.44 N ATOM 1398 CA PHE A 92 5.684 0.792 -23.816 1.00 16.75 C ATOM 1399 C PHE A 92 6.851 0.672 -24.789 1.00 17.52 C ATOM 1400 O PHE A 92 6.679 0.829 -25.998 1.00 18.34 O ATOM 1401 CB PHE A 92 5.703 2.164 -23.139 1.00 15.83 C ATOM 1402 CG PHE A 92 4.345 2.629 -22.695 1.00 15.63 C ATOM 1403 CD1 PHE A 92 3.357 2.894 -23.627 1.00 15.79 C ATOM 1404 CD2 PHE A 92 4.057 2.799 -21.352 1.00 15.41 C ATOM 1405 CE1 PHE A 92 2.105 3.321 -23.228 1.00 15.74 C ATOM 1406 CE2 PHE A 92 2.807 3.225 -20.946 1.00 15.39 C ATOM 1407 CZ PHE A 92 1.829 3.486 -21.886 1.00 15.56 C ATOM 0 H PHE A 92 5.862 0.047 -21.861 1.00 16.44 H new ATOM 0 HA PHE A 92 4.755 0.691 -24.378 1.00 16.75 H new ATOM 0 HB2 PHE A 92 6.366 2.125 -22.275 1.00 15.83 H new ATOM 0 HB3 PHE A 92 6.122 2.896 -23.830 1.00 15.83 H new ATOM 0 HD1 PHE A 92 3.567 2.766 -24.679 1.00 15.79 H new ATOM 0 HD2 PHE A 92 4.818 2.596 -20.613 1.00 15.41 H new ATOM 0 HE1 PHE A 92 1.343 3.525 -23.966 1.00 15.74 H new ATOM 0 HE2 PHE A 92 2.595 3.354 -19.895 1.00 15.39 H new ATOM 0 HZ PHE A 92 0.851 3.818 -21.571 1.00 15.56 H new ATOM 1417 N ASP A 93 8.037 0.396 -24.256 1.00 17.35 N ATOM 1418 CA ASP A 93 9.226 0.249 -25.086 1.00 18.13 C ATOM 1419 C ASP A 93 9.080 -0.955 -26.011 1.00 19.15 C ATOM 1420 O ASP A 93 9.399 -2.085 -25.637 1.00 19.29 O ATOM 1421 CB ASP A 93 10.471 0.097 -24.212 1.00 17.78 C ATOM 1422 CG ASP A 93 11.739 -0.054 -25.030 1.00 18.61 C ATOM 1423 OD1 ASP A 93 11.770 0.452 -26.171 1.00 18.94 O ATOM 1424 OD2 ASP A 93 12.702 -0.677 -24.531 1.00 18.99 O ATOM 0 H ASP A 93 8.200 0.270 -23.257 1.00 17.35 H new ATOM 0 HA ASP A 93 9.337 1.146 -25.695 1.00 18.13 H new ATOM 0 HB2 ASP A 93 10.563 0.967 -23.562 1.00 17.78 H new ATOM 0 HB3 ASP A 93 10.353 -0.773 -23.566 1.00 17.78 H new ATOM 1429 N ARG A 94 8.592 -0.699 -27.220 1.00 19.94 N ATOM 1430 CA ARG A 94 8.380 -1.749 -28.210 1.00 20.98 C ATOM 1431 C ARG A 94 9.666 -2.522 -28.491 1.00 21.56 C ATOM 1432 O ARG A 94 9.627 -3.704 -28.831 1.00 22.25 O ATOM 1433 CB ARG A 94 7.842 -1.139 -29.503 1.00 21.74 C ATOM 1434 CG ARG A 94 6.601 -0.287 -29.290 1.00 21.43 C ATOM 1435 CD ARG A 94 5.364 -0.947 -29.868 1.00 21.19 C ATOM 1436 NE ARG A 94 5.231 -2.337 -29.441 1.00 21.42 N ATOM 1437 CZ ARG A 94 4.453 -3.227 -30.050 1.00 21.61 C ATOM 1438 NH1 ARG A 94 3.732 -2.872 -31.105 1.00 21.58 N ATOM 1439 NH2 ARG A 94 4.394 -4.475 -29.602 1.00 21.94 N ATOM 0 H ARG A 94 8.334 0.235 -27.540 1.00 19.94 H new ATOM 0 HA ARG A 94 7.651 -2.452 -27.807 1.00 20.98 H new ATOM 0 HB2 ARG A 94 8.620 -0.528 -29.961 1.00 21.74 H new ATOM 0 HB3 ARG A 94 7.610 -1.939 -30.206 1.00 21.74 H new ATOM 0 HG2 ARG A 94 6.457 -0.114 -28.224 1.00 21.43 H new ATOM 0 HG3 ARG A 94 6.745 0.688 -29.755 1.00 21.43 H new ATOM 0 HD2 ARG A 94 4.479 -0.388 -29.562 1.00 21.19 H new ATOM 0 HD3 ARG A 94 5.407 -0.905 -30.956 1.00 21.19 H new ATOM 0 HE ARG A 94 5.766 -2.643 -28.628 1.00 21.42 H new ATOM 0 HH11 ARG A 94 3.773 -1.914 -31.452 1.00 21.58 H new ATOM 0 HH12 ARG A 94 3.136 -3.557 -31.570 1.00 21.58 H new ATOM 0 HH21 ARG A 94 4.946 -4.752 -28.790 1.00 21.94 H new ATOM 0 HH22 ARG A 94 3.797 -5.157 -30.070 1.00 21.94 H new ATOM 1453 N ASP A 95 10.804 -1.850 -28.346 1.00 21.37 N ATOM 1454 CA ASP A 95 12.097 -2.482 -28.588 1.00 21.99 C ATOM 1455 C ASP A 95 12.768 -2.874 -27.277 1.00 21.37 C ATOM 1456 O ASP A 95 12.235 -2.626 -26.196 1.00 20.39 O ATOM 1457 CB ASP A 95 13.015 -1.540 -29.366 1.00 22.48 C ATOM 1458 CG ASP A 95 12.313 -0.863 -30.525 1.00 22.92 C ATOM 1459 OD1 ASP A 95 11.734 -1.584 -31.365 1.00 23.34 O ATOM 1460 OD2 ASP A 95 12.341 0.384 -30.592 1.00 22.92 O ATOM 0 H ASP A 95 10.858 -0.871 -28.063 1.00 21.37 H new ATOM 0 HA ASP A 95 11.921 -3.383 -29.176 1.00 21.99 H new ATOM 0 HB2 ASP A 95 13.406 -0.780 -28.690 1.00 22.48 H new ATOM 0 HB3 ASP A 95 13.870 -2.102 -29.743 1.00 22.48 H new ATOM 1465 N GLY A 96 13.936 -3.497 -27.386 1.00 22.00 N ATOM 1466 CA GLY A 96 14.676 -3.907 -26.207 1.00 21.64 C ATOM 1467 C GLY A 96 15.809 -2.952 -25.887 1.00 21.55 C ATOM 1468 O GLY A 96 16.544 -3.150 -24.918 1.00 21.40 O ATOM 0 H GLY A 96 14.385 -3.726 -28.273 1.00 22.00 H new ATOM 0 HA2 GLY A 96 13.998 -3.964 -25.355 1.00 21.64 H new ATOM 0 HA3 GLY A 96 15.078 -4.908 -26.362 1.00 21.64 H new ATOM 1472 N ASP A 97 15.946 -1.913 -26.705 1.00 21.75 N ATOM 1473 CA ASP A 97 16.997 -0.919 -26.520 1.00 21.82 C ATOM 1474 C ASP A 97 16.743 -0.053 -25.289 1.00 20.80 C ATOM 1475 O ASP A 97 17.669 0.542 -24.737 1.00 20.85 O ATOM 1476 CB ASP A 97 17.113 -0.035 -27.765 1.00 22.28 C ATOM 1477 CG ASP A 97 15.761 0.354 -28.334 1.00 21.72 C ATOM 1478 OD1 ASP A 97 14.911 0.858 -27.567 1.00 21.34 O ATOM 1479 OD2 ASP A 97 15.552 0.159 -29.549 1.00 21.74 O ATOM 0 H ASP A 97 15.339 -1.737 -27.506 1.00 21.75 H new ATOM 0 HA ASP A 97 17.934 -1.454 -26.366 1.00 21.82 H new ATOM 0 HB2 ASP A 97 17.671 0.867 -27.514 1.00 22.28 H new ATOM 0 HB3 ASP A 97 17.686 -0.562 -28.528 1.00 22.28 H new ATOM 1484 N GLY A 98 15.485 0.016 -24.865 1.00 19.93 N ATOM 1485 CA GLY A 98 15.137 0.814 -23.703 1.00 18.92 C ATOM 1486 C GLY A 98 14.865 2.263 -24.055 1.00 18.54 C ATOM 1487 O GLY A 98 15.349 3.172 -23.381 1.00 17.94 O ATOM 0 H GLY A 98 14.701 -0.466 -25.305 1.00 19.93 H new ATOM 0 HA2 GLY A 98 14.255 0.388 -23.224 1.00 18.92 H new ATOM 0 HA3 GLY A 98 15.948 0.766 -22.977 1.00 18.92 H new ATOM 1491 N PHE A 99 14.093 2.478 -25.117 1.00 19.01 N ATOM 1492 CA PHE A 99 13.758 3.827 -25.561 1.00 18.88 C ATOM 1493 C PHE A 99 12.365 3.869 -26.183 1.00 18.97 C ATOM 1494 O PHE A 99 11.985 2.967 -26.932 1.00 19.56 O ATOM 1495 CB PHE A 99 14.784 4.326 -26.580 1.00 19.81 C ATOM 1496 CG PHE A 99 16.179 4.439 -26.034 1.00 19.89 C ATOM 1497 CD1 PHE A 99 16.562 5.553 -25.305 1.00 19.90 C ATOM 1498 CD2 PHE A 99 17.105 3.432 -26.248 1.00 20.07 C ATOM 1499 CE1 PHE A 99 17.844 5.660 -24.800 1.00 20.10 C ATOM 1500 CE2 PHE A 99 18.388 3.533 -25.745 1.00 20.28 C ATOM 1501 CZ PHE A 99 18.761 4.649 -25.025 1.00 20.30 C ATOM 0 H PHE A 99 13.688 1.735 -25.686 1.00 19.01 H new ATOM 0 HA PHE A 99 13.772 4.476 -24.686 1.00 18.88 H new ATOM 0 HB2 PHE A 99 14.792 3.649 -27.434 1.00 19.81 H new ATOM 0 HB3 PHE A 99 14.469 5.302 -26.950 1.00 19.81 H new ATOM 0 HD1 PHE A 99 15.851 6.347 -25.129 1.00 19.90 H new ATOM 0 HD2 PHE A 99 16.821 2.557 -26.815 1.00 20.07 H new ATOM 0 HE1 PHE A 99 18.130 6.532 -24.230 1.00 20.10 H new ATOM 0 HE2 PHE A 99 19.099 2.738 -25.916 1.00 20.28 H new ATOM 0 HZ PHE A 99 19.766 4.733 -24.638 1.00 20.30 H new ATOM 1511 N ILE A 100 11.607 4.919 -25.874 1.00 18.48 N ATOM 1512 CA ILE A 100 10.265 5.073 -26.418 1.00 18.67 C ATOM 1513 C ILE A 100 10.193 6.282 -27.345 1.00 19.37 C ATOM 1514 O ILE A 100 10.403 7.419 -26.922 1.00 19.21 O ATOM 1515 CB ILE A 100 9.219 5.216 -25.294 1.00 17.64 C ATOM 1516 CG1 ILE A 100 9.362 4.064 -24.299 1.00 16.97 C ATOM 1517 CG2 ILE A 100 7.812 5.251 -25.877 1.00 18.04 C ATOM 1518 CD1 ILE A 100 8.479 4.202 -23.079 1.00 15.92 C ATOM 0 H ILE A 100 11.900 5.672 -25.252 1.00 18.48 H new ATOM 0 HA ILE A 100 10.039 4.173 -26.989 1.00 18.67 H new ATOM 0 HB ILE A 100 9.392 6.155 -24.768 1.00 17.64 H new ATOM 0 HG12 ILE A 100 9.125 3.128 -24.804 1.00 16.97 H new ATOM 0 HG13 ILE A 100 10.402 3.999 -23.979 1.00 16.97 H new ATOM 0 HG21 ILE A 100 7.086 5.352 -25.070 1.00 18.04 H new ATOM 0 HG22 ILE A 100 7.720 6.099 -26.556 1.00 18.04 H new ATOM 0 HG23 ILE A 100 7.621 4.327 -26.423 1.00 18.04 H new ATOM 0 HD11 ILE A 100 8.635 3.349 -22.419 1.00 15.92 H new ATOM 0 HD12 ILE A 100 8.731 5.121 -22.550 1.00 15.92 H new ATOM 0 HD13 ILE A 100 7.434 4.236 -23.388 1.00 15.92 H new ATOM 1530 N SER A 101 9.896 6.020 -28.612 1.00 20.25 N ATOM 1531 CA SER A 101 9.805 7.068 -29.623 1.00 21.07 C ATOM 1532 C SER A 101 8.376 7.209 -30.139 1.00 21.23 C ATOM 1533 O SER A 101 7.584 6.277 -30.021 1.00 20.98 O ATOM 1534 CB SER A 101 10.749 6.760 -30.787 1.00 22.16 C ATOM 1535 OG SER A 101 12.100 6.752 -30.359 1.00 22.49 O ATOM 0 H SER A 101 9.712 5.081 -28.967 1.00 20.25 H new ATOM 0 HA SER A 101 10.098 8.010 -29.160 1.00 21.07 H new ATOM 0 HB2 SER A 101 10.495 5.792 -31.219 1.00 22.16 H new ATOM 0 HB3 SER A 101 10.617 7.504 -31.573 1.00 22.16 H new ATOM 0 HG SER A 101 12.683 6.551 -31.121 1.00 22.49 H new ATOM 1541 N PRO A 102 8.017 8.383 -30.698 1.00 21.74 N ATOM 1542 CA PRO A 102 6.670 8.629 -31.223 1.00 22.05 C ATOM 1543 C PRO A 102 6.109 7.435 -31.992 1.00 22.55 C ATOM 1544 O PRO A 102 4.916 7.143 -31.921 1.00 22.43 O ATOM 1545 CB PRO A 102 6.882 9.817 -32.158 1.00 23.00 C ATOM 1546 CG PRO A 102 8.007 10.577 -31.546 1.00 22.78 C ATOM 1547 CD PRO A 102 8.897 9.556 -30.879 1.00 22.19 C ATOM 0 HA PRO A 102 5.946 8.809 -30.428 1.00 22.05 H new ATOM 0 HB2 PRO A 102 7.128 9.488 -33.168 1.00 23.00 H new ATOM 0 HB3 PRO A 102 5.983 10.429 -32.232 1.00 23.00 H new ATOM 0 HG2 PRO A 102 8.556 11.135 -32.304 1.00 22.78 H new ATOM 0 HG3 PRO A 102 7.637 11.302 -30.821 1.00 22.78 H new ATOM 0 HD2 PRO A 102 9.762 9.315 -31.497 1.00 22.19 H new ATOM 0 HD3 PRO A 102 9.278 9.921 -29.925 1.00 22.19 H new ATOM 1555 N ALA A 103 6.982 6.743 -32.719 1.00 23.17 N ATOM 1556 CA ALA A 103 6.575 5.581 -33.501 1.00 23.77 C ATOM 1557 C ALA A 103 6.169 4.423 -32.596 1.00 23.02 C ATOM 1558 O ALA A 103 5.182 3.731 -32.853 1.00 23.22 O ATOM 1559 CB ALA A 103 7.703 5.149 -34.425 1.00 24.56 C ATOM 0 H ALA A 103 7.975 6.967 -32.782 1.00 23.17 H new ATOM 0 HA ALA A 103 5.709 5.864 -34.100 1.00 23.77 H new ATOM 0 HB1 ALA A 103 7.387 4.281 -35.003 1.00 24.56 H new ATOM 0 HB2 ALA A 103 7.951 5.966 -35.103 1.00 24.56 H new ATOM 0 HB3 ALA A 103 8.580 4.890 -33.832 1.00 24.56 H new ATOM 1565 N GLU A 104 6.930 4.231 -31.526 1.00 22.23 N ATOM 1566 CA GLU A 104 6.672 3.160 -30.580 1.00 21.53 C ATOM 1567 C GLU A 104 5.524 3.544 -29.667 1.00 20.75 C ATOM 1568 O GLU A 104 4.856 2.688 -29.089 1.00 20.59 O ATOM 1569 CB GLU A 104 7.922 2.885 -29.741 1.00 20.94 C ATOM 1570 CG GLU A 104 9.057 2.241 -30.517 1.00 21.74 C ATOM 1571 CD GLU A 104 10.258 1.943 -29.639 1.00 21.28 C ATOM 1572 OE1 GLU A 104 10.238 0.914 -28.931 1.00 21.43 O ATOM 1573 OE2 GLU A 104 11.221 2.739 -29.658 1.00 20.84 O ATOM 0 H GLU A 104 7.737 4.810 -31.293 1.00 22.23 H new ATOM 0 HA GLU A 104 6.408 2.259 -31.134 1.00 21.53 H new ATOM 0 HB2 GLU A 104 8.274 3.824 -29.314 1.00 20.94 H new ATOM 0 HB3 GLU A 104 7.652 2.237 -28.907 1.00 20.94 H new ATOM 0 HG2 GLU A 104 8.704 1.316 -30.972 1.00 21.74 H new ATOM 0 HG3 GLU A 104 9.359 2.901 -31.330 1.00 21.74 H new ATOM 1580 N LEU A 105 5.304 4.848 -29.553 1.00 20.36 N ATOM 1581 CA LEU A 105 4.251 5.378 -28.709 1.00 19.67 C ATOM 1582 C LEU A 105 2.890 5.226 -29.370 1.00 20.33 C ATOM 1583 O LEU A 105 1.911 4.862 -28.719 1.00 19.95 O ATOM 1584 CB LEU A 105 4.526 6.846 -28.400 1.00 19.42 C ATOM 1585 CG LEU A 105 3.871 7.352 -27.124 1.00 18.62 C ATOM 1586 CD1 LEU A 105 4.682 8.487 -26.524 1.00 17.90 C ATOM 1587 CD2 LEU A 105 2.445 7.800 -27.402 1.00 18.59 C ATOM 0 H LEU A 105 5.848 5.560 -30.041 1.00 20.36 H new ATOM 0 HA LEU A 105 4.238 4.810 -27.779 1.00 19.67 H new ATOM 0 HB2 LEU A 105 5.603 6.993 -28.324 1.00 19.42 H new ATOM 0 HB3 LEU A 105 4.180 7.452 -29.237 1.00 19.42 H new ATOM 0 HG LEU A 105 3.840 6.535 -26.403 1.00 18.62 H new ATOM 0 HD11 LEU A 105 4.199 8.837 -25.612 1.00 17.90 H new ATOM 0 HD12 LEU A 105 5.686 8.133 -26.290 1.00 17.90 H new ATOM 0 HD13 LEU A 105 4.744 9.307 -27.239 1.00 17.90 H new ATOM 0 HD21 LEU A 105 1.990 8.159 -26.479 1.00 18.59 H new ATOM 0 HD22 LEU A 105 2.453 8.603 -28.139 1.00 18.59 H new ATOM 0 HD23 LEU A 105 1.868 6.959 -27.788 1.00 18.59 H new ATOM 1599 N ARG A 106 2.824 5.520 -30.661 1.00 21.40 N ATOM 1600 CA ARG A 106 1.575 5.398 -31.392 1.00 22.20 C ATOM 1601 C ARG A 106 1.155 3.936 -31.483 1.00 22.44 C ATOM 1602 O ARG A 106 0.008 3.594 -31.205 1.00 22.57 O ATOM 1603 CB ARG A 106 1.701 5.980 -32.798 1.00 23.35 C ATOM 1604 CG ARG A 106 0.423 5.837 -33.609 1.00 24.22 C ATOM 1605 CD ARG A 106 0.655 6.100 -35.086 1.00 25.21 C ATOM 1606 NE ARG A 106 -0.593 6.088 -35.843 1.00 25.76 N ATOM 1607 CZ ARG A 106 -0.711 6.565 -37.077 1.00 26.69 C ATOM 1608 NH1 ARG A 106 0.341 7.089 -37.692 1.00 27.16 N ATOM 1609 NH2 ARG A 106 -1.881 6.520 -37.698 1.00 27.19 N ATOM 0 H ARG A 106 3.615 5.842 -31.218 1.00 21.40 H new ATOM 0 HA ARG A 106 0.816 5.961 -30.849 1.00 22.20 H new ATOM 0 HB2 ARG A 106 1.966 7.035 -32.728 1.00 23.35 H new ATOM 0 HB3 ARG A 106 2.516 5.481 -33.322 1.00 23.35 H new ATOM 0 HG2 ARG A 106 0.021 4.832 -33.478 1.00 24.22 H new ATOM 0 HG3 ARG A 106 -0.327 6.532 -33.230 1.00 24.22 H new ATOM 0 HD2 ARG A 106 1.146 7.065 -35.210 1.00 25.21 H new ATOM 0 HD3 ARG A 106 1.331 5.345 -35.488 1.00 25.21 H new ATOM 0 HE ARG A 106 -1.421 5.691 -35.399 1.00 25.76 H new ATOM 0 HH11 ARG A 106 1.243 7.126 -37.217 1.00 27.16 H new ATOM 0 HH12 ARG A 106 0.248 7.455 -38.640 1.00 27.16 H new ATOM 0 HH21 ARG A 106 -2.693 6.119 -37.228 1.00 27.19 H new ATOM 0 HH22 ARG A 106 -1.970 6.887 -38.646 1.00 27.19 H new ATOM 1623 N PHE A 107 2.095 3.079 -31.871 1.00 22.61 N ATOM 1624 CA PHE A 107 1.820 1.653 -32.005 1.00 22.97 C ATOM 1625 C PHE A 107 1.273 1.065 -30.708 1.00 22.14 C ATOM 1626 O PHE A 107 0.242 0.392 -30.713 1.00 22.53 O ATOM 1627 CB PHE A 107 3.084 0.905 -32.428 1.00 23.24 C ATOM 1628 CG PHE A 107 3.273 0.834 -33.918 1.00 23.93 C ATOM 1629 CD1 PHE A 107 3.484 1.984 -34.661 1.00 24.48 C ATOM 1630 CD2 PHE A 107 3.238 -0.386 -34.575 1.00 24.11 C ATOM 1631 CE1 PHE A 107 3.657 1.919 -36.031 1.00 25.19 C ATOM 1632 CE2 PHE A 107 3.410 -0.457 -35.943 1.00 24.82 C ATOM 1633 CZ PHE A 107 3.620 0.697 -36.673 1.00 25.36 C ATOM 0 H PHE A 107 3.053 3.347 -32.098 1.00 22.61 H new ATOM 0 HA PHE A 107 1.059 1.534 -32.776 1.00 22.97 H new ATOM 0 HB2 PHE A 107 3.951 1.394 -31.983 1.00 23.24 H new ATOM 0 HB3 PHE A 107 3.048 -0.108 -32.026 1.00 23.24 H new ATOM 0 HD1 PHE A 107 3.514 2.942 -34.164 1.00 24.48 H new ATOM 0 HD2 PHE A 107 3.074 -1.292 -34.010 1.00 24.11 H new ATOM 0 HE1 PHE A 107 3.821 2.823 -36.599 1.00 25.19 H new ATOM 0 HE2 PHE A 107 3.380 -1.414 -36.442 1.00 24.82 H new ATOM 0 HZ PHE A 107 3.755 0.643 -37.743 1.00 25.36 H new ATOM 1643 N VAL A 108 1.961 1.320 -29.598 1.00 21.06 N ATOM 1644 CA VAL A 108 1.532 0.800 -28.304 1.00 20.23 C ATOM 1645 C VAL A 108 0.180 1.377 -27.887 1.00 20.08 C ATOM 1646 O VAL A 108 -0.685 0.653 -27.397 1.00 20.21 O ATOM 1647 CB VAL A 108 2.567 1.084 -27.207 1.00 19.12 C ATOM 1648 CG1 VAL A 108 2.759 2.571 -27.069 1.00 18.33 C ATOM 1649 CG2 VAL A 108 2.140 0.463 -25.886 1.00 19.13 C ATOM 0 H VAL A 108 2.813 1.880 -29.569 1.00 21.06 H new ATOM 0 HA VAL A 108 1.434 -0.279 -28.422 1.00 20.23 H new ATOM 0 HB VAL A 108 3.518 0.631 -27.489 1.00 19.12 H new ATOM 0 HG11 VAL A 108 3.494 2.772 -26.290 1.00 18.33 H new ATOM 0 HG12 VAL A 108 3.111 2.982 -28.015 1.00 18.33 H new ATOM 0 HG13 VAL A 108 1.811 3.037 -26.802 1.00 18.33 H new ATOM 0 HG21 VAL A 108 2.889 0.678 -25.124 1.00 19.13 H new ATOM 0 HG22 VAL A 108 1.181 0.882 -25.580 1.00 19.13 H new ATOM 0 HG23 VAL A 108 2.043 -0.616 -26.006 1.00 19.13 H new ATOM 1659 N MET A 109 0.003 2.683 -28.087 1.00 19.93 N ATOM 1660 CA MET A 109 -1.247 3.350 -27.729 1.00 19.90 C ATOM 1661 C MET A 109 -2.427 2.732 -28.468 1.00 20.93 C ATOM 1662 O MET A 109 -3.487 2.507 -27.885 1.00 20.91 O ATOM 1663 CB MET A 109 -1.164 4.843 -28.035 1.00 20.00 C ATOM 1664 CG MET A 109 -0.432 5.640 -26.971 1.00 18.99 C ATOM 1665 SD MET A 109 -1.250 5.551 -25.366 1.00 18.30 S ATOM 1666 CE MET A 109 -0.526 6.963 -24.539 1.00 17.64 C ATOM 0 H MET A 109 0.708 3.298 -28.494 1.00 19.93 H new ATOM 0 HA MET A 109 -1.402 3.216 -26.658 1.00 19.90 H new ATOM 0 HB2 MET A 109 -0.661 4.982 -28.992 1.00 20.00 H new ATOM 0 HB3 MET A 109 -2.173 5.240 -28.145 1.00 20.00 H new ATOM 0 HG2 MET A 109 0.588 5.267 -26.878 1.00 18.99 H new ATOM 0 HG3 MET A 109 -0.363 6.682 -27.284 1.00 18.99 H new ATOM 0 HE1 MET A 109 -0.933 7.043 -23.531 1.00 17.64 H new ATOM 0 HE2 MET A 109 0.555 6.838 -24.485 1.00 17.64 H new ATOM 0 HE3 MET A 109 -0.759 7.870 -25.097 1.00 17.64 H new ATOM 1676 N ILE A 110 -2.236 2.463 -29.753 1.00 21.91 N ATOM 1677 CA ILE A 110 -3.281 1.866 -30.570 1.00 22.98 C ATOM 1678 C ILE A 110 -3.559 0.435 -30.113 1.00 22.97 C ATOM 1679 O ILE A 110 -4.634 -0.112 -30.362 1.00 23.58 O ATOM 1680 CB ILE A 110 -2.899 1.885 -32.065 1.00 24.01 C ATOM 1681 CG1 ILE A 110 -2.704 3.331 -32.531 1.00 24.18 C ATOM 1682 CG2 ILE A 110 -3.965 1.196 -32.905 1.00 25.13 C ATOM 1683 CD1 ILE A 110 -2.139 3.455 -33.931 1.00 25.10 C ATOM 0 H ILE A 110 -1.366 2.649 -30.251 1.00 21.91 H new ATOM 0 HA ILE A 110 -4.187 2.460 -30.445 1.00 22.98 H new ATOM 0 HB ILE A 110 -1.964 1.339 -32.193 1.00 24.01 H new ATOM 0 HG12 ILE A 110 -3.663 3.848 -32.490 1.00 24.18 H new ATOM 0 HG13 ILE A 110 -2.037 3.840 -31.835 1.00 24.18 H new ATOM 0 HG21 ILE A 110 -3.674 1.222 -33.955 1.00 25.13 H new ATOM 0 HG22 ILE A 110 -4.069 0.160 -32.583 1.00 25.13 H new ATOM 0 HG23 ILE A 110 -4.917 1.712 -32.780 1.00 25.13 H new ATOM 0 HD11 ILE A 110 -2.030 4.509 -34.188 1.00 25.10 H new ATOM 0 HD12 ILE A 110 -1.164 2.969 -33.974 1.00 25.10 H new ATOM 0 HD13 ILE A 110 -2.815 2.977 -34.640 1.00 25.10 H new ATOM 1695 N ASN A 111 -2.581 -0.157 -29.430 1.00 22.36 N ATOM 1696 CA ASN A 111 -2.718 -1.516 -28.922 1.00 22.40 C ATOM 1697 C ASN A 111 -3.536 -1.525 -27.635 1.00 21.78 C ATOM 1698 O ASN A 111 -4.331 -2.435 -27.399 1.00 22.21 O ATOM 1699 CB ASN A 111 -1.343 -2.139 -28.665 1.00 21.96 C ATOM 1700 CG ASN A 111 -0.513 -2.266 -29.927 1.00 22.60 C ATOM 1701 OD1 ASN A 111 -1.049 -2.397 -31.028 1.00 23.32 O ATOM 1702 ND2 ASN A 111 0.806 -2.232 -29.773 1.00 22.44 N ATOM 0 H ASN A 111 -1.687 0.285 -29.217 1.00 22.36 H new ATOM 0 HA ASN A 111 -3.236 -2.107 -29.677 1.00 22.40 H new ATOM 0 HB2 ASN A 111 -0.803 -1.531 -27.940 1.00 21.96 H new ATOM 0 HB3 ASN A 111 -1.473 -3.125 -28.220 1.00 21.96 H new ATOM 0 HD21 ASN A 111 1.417 -2.316 -30.586 1.00 22.44 H new ATOM 0 HD22 ASN A 111 1.208 -2.122 -28.842 1.00 22.44 H new ATOM 1709 N LEU A 112 -3.333 -0.503 -26.804 1.00 20.83 N ATOM 1710 CA LEU A 112 -4.055 -0.388 -25.541 1.00 20.19 C ATOM 1711 C LEU A 112 -5.557 -0.324 -25.791 1.00 20.95 C ATOM 1712 O LEU A 112 -6.350 -0.860 -25.016 1.00 21.07 O ATOM 1713 CB LEU A 112 -3.606 0.861 -24.775 1.00 19.00 C ATOM 1714 CG LEU A 112 -2.097 0.997 -24.561 1.00 18.25 C ATOM 1715 CD1 LEU A 112 -1.779 2.285 -23.817 1.00 17.58 C ATOM 1716 CD2 LEU A 112 -1.549 -0.205 -23.805 1.00 17.84 C ATOM 0 H LEU A 112 -2.675 0.255 -26.984 1.00 20.83 H new ATOM 0 HA LEU A 112 -3.831 -1.270 -24.941 1.00 20.19 H new ATOM 0 HB2 LEU A 112 -3.960 1.741 -25.312 1.00 19.00 H new ATOM 0 HB3 LEU A 112 -4.095 0.864 -23.801 1.00 19.00 H new ATOM 0 HG LEU A 112 -1.615 1.034 -25.538 1.00 18.25 H new ATOM 0 HD11 LEU A 112 -0.702 2.366 -23.673 1.00 17.58 H new ATOM 0 HD12 LEU A 112 -2.132 3.137 -24.397 1.00 17.58 H new ATOM 0 HD13 LEU A 112 -2.275 2.276 -22.846 1.00 17.58 H new ATOM 0 HD21 LEU A 112 -0.475 -0.087 -23.664 1.00 17.84 H new ATOM 0 HD22 LEU A 112 -2.037 -0.277 -22.833 1.00 17.84 H new ATOM 0 HD23 LEU A 112 -1.743 -1.113 -24.376 1.00 17.84 H new ATOM 1728 N GLY A 113 -5.938 0.335 -26.881 1.00 21.57 N ATOM 1729 CA GLY A 113 -7.343 0.465 -27.219 1.00 22.41 C ATOM 1730 C GLY A 113 -7.709 1.880 -27.609 1.00 22.40 C ATOM 1731 O GLY A 113 -8.765 2.118 -28.197 1.00 23.05 O ATOM 0 H GLY A 113 -5.297 0.782 -27.537 1.00 21.57 H new ATOM 0 HA2 GLY A 113 -7.581 -0.210 -28.041 1.00 22.41 H new ATOM 0 HA3 GLY A 113 -7.950 0.156 -26.368 1.00 22.41 H new ATOM 1735 N GLU A 114 -6.832 2.823 -27.280 1.00 21.76 N ATOM 1736 CA GLU A 114 -7.064 4.224 -27.590 1.00 21.80 C ATOM 1737 C GLU A 114 -6.423 4.609 -28.920 1.00 22.59 C ATOM 1738 O GLU A 114 -5.590 3.877 -29.455 1.00 22.48 O ATOM 1739 CB GLU A 114 -6.515 5.099 -26.472 1.00 20.80 C ATOM 1740 CG GLU A 114 -5.003 5.080 -26.375 1.00 20.26 C ATOM 1741 CD GLU A 114 -4.492 5.746 -25.113 1.00 20.12 C ATOM 1742 OE1 GLU A 114 -4.280 6.976 -25.134 1.00 19.96 O ATOM 1743 OE2 GLU A 114 -4.305 5.036 -24.102 1.00 20.27 O ATOM 0 H GLU A 114 -5.952 2.639 -26.797 1.00 21.76 H new ATOM 0 HA GLU A 114 -8.139 4.380 -27.677 1.00 21.80 H new ATOM 0 HB2 GLU A 114 -6.848 6.125 -26.628 1.00 20.80 H new ATOM 0 HB3 GLU A 114 -6.936 4.768 -25.523 1.00 20.80 H new ATOM 0 HG2 GLU A 114 -4.654 4.048 -26.404 1.00 20.26 H new ATOM 0 HG3 GLU A 114 -4.580 5.584 -27.244 1.00 20.26 H new ATOM 1750 N LYS A 115 -6.821 5.762 -29.448 1.00 23.45 N ATOM 1751 CA LYS A 115 -6.289 6.251 -30.714 1.00 24.32 C ATOM 1752 C LYS A 115 -5.692 7.646 -30.545 1.00 23.94 C ATOM 1753 O LYS A 115 -6.340 8.549 -30.016 1.00 23.86 O ATOM 1754 CB LYS A 115 -7.385 6.275 -31.787 1.00 25.48 C ATOM 1755 CG LYS A 115 -8.629 7.051 -31.381 1.00 26.26 C ATOM 1756 CD LYS A 115 -9.635 6.166 -30.663 1.00 26.75 C ATOM 1757 CE LYS A 115 -10.785 6.982 -30.094 1.00 27.55 C ATOM 1758 NZ LYS A 115 -11.465 7.796 -31.140 1.00 27.96 N ATOM 0 H LYS A 115 -7.512 6.376 -29.017 1.00 23.45 H new ATOM 0 HA LYS A 115 -5.500 5.570 -31.035 1.00 24.32 H new ATOM 0 HB2 LYS A 115 -6.978 6.712 -32.699 1.00 25.48 H new ATOM 0 HB3 LYS A 115 -7.670 5.250 -32.025 1.00 25.48 H new ATOM 0 HG2 LYS A 115 -8.345 7.880 -30.732 1.00 26.26 H new ATOM 0 HG3 LYS A 115 -9.093 7.484 -32.267 1.00 26.26 H new ATOM 0 HD2 LYS A 115 -10.024 5.419 -31.355 1.00 26.75 H new ATOM 0 HD3 LYS A 115 -9.137 5.626 -29.858 1.00 26.75 H new ATOM 0 HE2 LYS A 115 -11.509 6.313 -29.629 1.00 27.55 H new ATOM 0 HE3 LYS A 115 -10.409 7.640 -29.310 1.00 27.55 H new ATOM 0 HZ1 LYS A 115 -12.356 8.174 -30.761 1.00 27.96 H new ATOM 0 HZ2 LYS A 115 -10.847 8.583 -31.423 1.00 27.96 H new ATOM 0 HZ3 LYS A 115 -11.667 7.199 -31.968 1.00 27.96 H new ATOM 1772 N VAL A 116 -4.451 7.811 -30.990 1.00 23.78 N ATOM 1773 CA VAL A 116 -3.768 9.094 -30.885 1.00 23.53 C ATOM 1774 C VAL A 116 -3.041 9.450 -32.175 1.00 24.38 C ATOM 1775 O VAL A 116 -2.541 8.576 -32.883 1.00 24.75 O ATOM 1776 CB VAL A 116 -2.748 9.100 -29.732 1.00 22.24 C ATOM 1777 CG1 VAL A 116 -3.445 9.298 -28.396 1.00 21.40 C ATOM 1778 CG2 VAL A 116 -1.934 7.814 -29.735 1.00 21.91 C ATOM 0 H VAL A 116 -3.899 7.073 -31.426 1.00 23.78 H new ATOM 0 HA VAL A 116 -4.542 9.836 -30.689 1.00 23.53 H new ATOM 0 HB VAL A 116 -2.065 9.937 -29.881 1.00 22.24 H new ATOM 0 HG11 VAL A 116 -2.705 9.299 -27.596 1.00 21.40 H new ATOM 0 HG12 VAL A 116 -3.976 10.250 -28.400 1.00 21.40 H new ATOM 0 HG13 VAL A 116 -4.155 8.487 -28.232 1.00 21.40 H new ATOM 0 HG21 VAL A 116 -1.218 7.835 -28.914 1.00 21.91 H new ATOM 0 HG22 VAL A 116 -2.601 6.961 -29.613 1.00 21.91 H new ATOM 0 HG23 VAL A 116 -1.399 7.724 -30.680 1.00 21.91 H new ATOM 1788 N THR A 117 -2.988 10.745 -32.469 1.00 24.76 N ATOM 1789 CA THR A 117 -2.313 11.233 -33.663 1.00 25.62 C ATOM 1790 C THR A 117 -0.846 11.511 -33.362 1.00 25.03 C ATOM 1791 O THR A 117 -0.497 11.905 -32.250 1.00 24.12 O ATOM 1792 CB THR A 117 -2.974 12.519 -34.193 1.00 26.54 C ATOM 1793 OG1 THR A 117 -2.815 13.579 -33.242 1.00 25.98 O ATOM 1794 CG2 THR A 117 -4.454 12.293 -34.463 1.00 27.24 C ATOM 0 H THR A 117 -3.406 11.476 -31.894 1.00 24.76 H new ATOM 0 HA THR A 117 -2.393 10.459 -34.427 1.00 25.62 H new ATOM 0 HB THR A 117 -2.487 12.794 -35.128 1.00 26.54 H new ATOM 0 HG1 THR A 117 -3.236 14.394 -33.587 1.00 25.98 H new ATOM 0 HG21 THR A 117 -4.901 13.214 -34.837 1.00 27.24 H new ATOM 0 HG22 THR A 117 -4.572 11.505 -35.207 1.00 27.24 H new ATOM 0 HG23 THR A 117 -4.951 11.997 -33.539 1.00 27.24 H new ATOM 1802 N ASP A 118 0.008 11.301 -34.359 1.00 25.62 N ATOM 1803 CA ASP A 118 1.443 11.519 -34.200 1.00 25.26 C ATOM 1804 C ASP A 118 1.739 12.923 -33.680 1.00 25.12 C ATOM 1805 O ASP A 118 2.819 13.181 -33.152 1.00 24.60 O ATOM 1806 CB ASP A 118 2.162 11.299 -35.532 1.00 26.22 C ATOM 1807 CG ASP A 118 1.977 9.890 -36.061 1.00 26.44 C ATOM 1808 OD1 ASP A 118 0.970 9.647 -36.759 1.00 26.63 O ATOM 1809 OD2 ASP A 118 2.838 9.032 -35.778 1.00 26.51 O ATOM 0 H ASP A 118 -0.269 10.980 -35.287 1.00 25.62 H new ATOM 0 HA ASP A 118 1.809 10.800 -33.467 1.00 25.26 H new ATOM 0 HB2 ASP A 118 1.788 12.012 -36.266 1.00 26.22 H new ATOM 0 HB3 ASP A 118 3.226 11.500 -35.406 1.00 26.22 H new ATOM 1814 N GLU A 119 0.772 13.823 -33.825 1.00 25.66 N ATOM 1815 CA GLU A 119 0.938 15.201 -33.378 1.00 25.70 C ATOM 1816 C GLU A 119 0.756 15.327 -31.867 1.00 24.54 C ATOM 1817 O GLU A 119 1.632 15.841 -31.170 1.00 24.02 O ATOM 1818 CB GLU A 119 -0.054 16.119 -34.096 1.00 26.79 C ATOM 1819 CG GLU A 119 0.168 16.208 -35.599 1.00 27.99 C ATOM 1820 CD GLU A 119 -0.115 14.900 -36.311 1.00 28.61 C ATOM 1821 OE1 GLU A 119 -1.300 14.614 -36.581 1.00 29.14 O ATOM 1822 OE2 GLU A 119 0.849 14.159 -36.597 1.00 28.61 O ATOM 0 H GLU A 119 -0.134 13.623 -34.248 1.00 25.66 H new ATOM 0 HA GLU A 119 1.955 15.504 -33.625 1.00 25.70 H new ATOM 0 HB2 GLU A 119 -1.067 15.762 -33.908 1.00 26.79 H new ATOM 0 HB3 GLU A 119 0.016 17.119 -33.668 1.00 26.79 H new ATOM 0 HG2 GLU A 119 -0.473 16.987 -36.011 1.00 27.99 H new ATOM 0 HG3 GLU A 119 1.198 16.507 -35.793 1.00 27.99 H new ATOM 1829 N GLU A 120 -0.382 14.854 -31.363 1.00 24.19 N ATOM 1830 CA GLU A 120 -0.675 14.938 -29.935 1.00 23.13 C ATOM 1831 C GLU A 120 0.346 14.167 -29.101 1.00 21.97 C ATOM 1832 O GLU A 120 0.732 14.612 -28.019 1.00 21.17 O ATOM 1833 CB GLU A 120 -2.092 14.440 -29.644 1.00 23.10 C ATOM 1834 CG GLU A 120 -2.315 12.969 -29.951 1.00 22.97 C ATOM 1835 CD GLU A 120 -3.714 12.514 -29.584 1.00 23.00 C ATOM 1836 OE1 GLU A 120 -4.005 12.399 -28.375 1.00 22.54 O ATOM 1837 OE2 GLU A 120 -4.518 12.268 -30.508 1.00 23.55 O ATOM 0 H GLU A 120 -1.113 14.411 -31.920 1.00 24.19 H new ATOM 0 HA GLU A 120 -0.608 15.988 -29.649 1.00 23.13 H new ATOM 0 HB2 GLU A 120 -2.318 14.618 -28.593 1.00 23.10 H new ATOM 0 HB3 GLU A 120 -2.799 15.031 -30.226 1.00 23.10 H new ATOM 0 HG2 GLU A 120 -2.143 12.791 -31.013 1.00 22.97 H new ATOM 0 HG3 GLU A 120 -1.585 12.371 -29.405 1.00 22.97 H new ATOM 1844 N ILE A 121 0.789 13.017 -29.602 1.00 21.93 N ATOM 1845 CA ILE A 121 1.765 12.215 -28.874 1.00 20.94 C ATOM 1846 C ILE A 121 3.153 12.841 -28.948 1.00 20.97 C ATOM 1847 O ILE A 121 3.917 12.779 -27.984 1.00 20.10 O ATOM 1848 CB ILE A 121 1.822 10.761 -29.385 1.00 21.05 C ATOM 1849 CG1 ILE A 121 2.197 10.711 -30.867 1.00 22.23 C ATOM 1850 CG2 ILE A 121 0.488 10.072 -29.150 1.00 20.98 C ATOM 1851 CD1 ILE A 121 2.452 9.307 -31.375 1.00 22.33 C ATOM 0 H ILE A 121 0.493 12.625 -30.496 1.00 21.93 H new ATOM 0 HA ILE A 121 1.436 12.194 -27.835 1.00 20.94 H new ATOM 0 HB ILE A 121 2.596 10.233 -28.827 1.00 21.05 H new ATOM 0 HG12 ILE A 121 1.396 11.161 -31.453 1.00 22.23 H new ATOM 0 HG13 ILE A 121 3.089 11.316 -31.029 1.00 22.23 H new ATOM 0 HG21 ILE A 121 0.539 9.046 -29.514 1.00 20.98 H new ATOM 0 HG22 ILE A 121 0.264 10.067 -28.083 1.00 20.98 H new ATOM 0 HG23 ILE A 121 -0.297 10.608 -29.683 1.00 20.98 H new ATOM 0 HD11 ILE A 121 2.713 9.345 -32.433 1.00 22.33 H new ATOM 0 HD12 ILE A 121 3.273 8.861 -30.814 1.00 22.33 H new ATOM 0 HD13 ILE A 121 1.553 8.704 -31.244 1.00 22.33 H new ATOM 1863 N ASP A 122 3.477 13.443 -30.090 1.00 22.05 N ATOM 1864 CA ASP A 122 4.774 14.089 -30.263 1.00 22.30 C ATOM 1865 C ASP A 122 4.968 15.178 -29.215 1.00 21.86 C ATOM 1866 O ASP A 122 6.070 15.373 -28.702 1.00 21.46 O ATOM 1867 CB ASP A 122 4.897 14.692 -31.663 1.00 23.63 C ATOM 1868 CG ASP A 122 6.217 15.409 -31.868 1.00 24.02 C ATOM 1869 OD1 ASP A 122 7.196 14.747 -32.272 1.00 24.14 O ATOM 1870 OD2 ASP A 122 6.275 16.632 -31.622 1.00 24.29 O ATOM 0 H ASP A 122 2.864 13.497 -30.903 1.00 22.05 H new ATOM 0 HA ASP A 122 5.548 13.332 -30.139 1.00 22.30 H new ATOM 0 HB2 ASP A 122 4.796 13.901 -32.407 1.00 23.63 H new ATOM 0 HB3 ASP A 122 4.077 15.391 -31.828 1.00 23.63 H new ATOM 1875 N GLU A 123 3.885 15.885 -28.904 1.00 22.03 N ATOM 1876 CA GLU A 123 3.928 16.953 -27.912 1.00 21.74 C ATOM 1877 C GLU A 123 4.131 16.382 -26.514 1.00 20.39 C ATOM 1878 O GLU A 123 4.970 16.865 -25.754 1.00 20.02 O ATOM 1879 CB GLU A 123 2.639 17.778 -27.959 1.00 22.27 C ATOM 1880 CG GLU A 123 2.416 18.483 -29.288 1.00 23.66 C ATOM 1881 CD GLU A 123 1.165 19.339 -29.289 1.00 24.40 C ATOM 1882 OE1 GLU A 123 0.080 18.806 -29.603 1.00 24.74 O ATOM 1883 OE2 GLU A 123 1.270 20.543 -28.975 1.00 24.71 O ATOM 0 H GLU A 123 2.968 15.737 -29.325 1.00 22.03 H new ATOM 0 HA GLU A 123 4.771 17.602 -28.148 1.00 21.74 H new ATOM 0 HB2 GLU A 123 1.791 17.123 -27.758 1.00 22.27 H new ATOM 0 HB3 GLU A 123 2.664 18.522 -27.162 1.00 22.27 H new ATOM 0 HG2 GLU A 123 3.280 19.108 -29.513 1.00 23.66 H new ATOM 0 HG3 GLU A 123 2.344 17.740 -30.082 1.00 23.66 H new ATOM 1890 N MET A 124 3.357 15.349 -26.181 1.00 19.71 N ATOM 1891 CA MET A 124 3.458 14.706 -24.873 1.00 18.41 C ATOM 1892 C MET A 124 4.896 14.290 -24.585 1.00 17.96 C ATOM 1893 O MET A 124 5.372 14.406 -23.455 1.00 17.13 O ATOM 1894 CB MET A 124 2.535 13.487 -24.808 1.00 17.97 C ATOM 1895 CG MET A 124 2.720 12.646 -23.555 1.00 16.63 C ATOM 1896 SD MET A 124 1.530 11.296 -23.443 1.00 16.29 S ATOM 1897 CE MET A 124 2.000 10.313 -24.865 1.00 17.07 C ATOM 0 H MET A 124 2.655 14.941 -26.798 1.00 19.71 H new ATOM 0 HA MET A 124 3.148 15.425 -24.115 1.00 18.41 H new ATOM 0 HB2 MET A 124 1.499 13.823 -24.859 1.00 17.97 H new ATOM 0 HB3 MET A 124 2.711 12.862 -25.684 1.00 17.97 H new ATOM 0 HG2 MET A 124 3.730 12.237 -23.543 1.00 16.63 H new ATOM 0 HG3 MET A 124 2.624 13.284 -22.676 1.00 16.63 H new ATOM 0 HE1 MET A 124 1.232 10.396 -25.634 1.00 17.07 H new ATOM 0 HE2 MET A 124 2.950 10.675 -25.260 1.00 17.07 H new ATOM 0 HE3 MET A 124 2.105 9.270 -24.568 1.00 17.07 H new ATOM 1907 N ILE A 125 5.583 13.809 -25.615 1.00 18.60 N ATOM 1908 CA ILE A 125 6.968 13.382 -25.477 1.00 18.41 C ATOM 1909 C ILE A 125 7.868 14.577 -25.194 1.00 18.72 C ATOM 1910 O ILE A 125 8.753 14.513 -24.342 1.00 18.18 O ATOM 1911 CB ILE A 125 7.457 12.658 -26.749 1.00 19.25 C ATOM 1912 CG1 ILE A 125 6.644 11.379 -26.967 1.00 19.04 C ATOM 1913 CG2 ILE A 125 8.945 12.343 -26.650 1.00 19.27 C ATOM 1914 CD1 ILE A 125 7.002 10.633 -28.236 1.00 19.95 C ATOM 0 H ILE A 125 5.202 13.705 -26.555 1.00 18.60 H new ATOM 0 HA ILE A 125 7.017 12.686 -24.639 1.00 18.41 H new ATOM 0 HB ILE A 125 7.310 13.315 -27.606 1.00 19.25 H new ATOM 0 HG12 ILE A 125 6.791 10.717 -26.114 1.00 19.04 H new ATOM 0 HG13 ILE A 125 5.585 11.634 -26.993 1.00 19.04 H new ATOM 0 HG21 ILE A 125 9.270 11.833 -27.557 1.00 19.27 H new ATOM 0 HG22 ILE A 125 9.506 13.270 -26.534 1.00 19.27 H new ATOM 0 HG23 ILE A 125 9.124 11.701 -25.788 1.00 19.27 H new ATOM 0 HD11 ILE A 125 6.384 9.739 -28.319 1.00 19.95 H new ATOM 0 HD12 ILE A 125 6.827 11.277 -29.098 1.00 19.95 H new ATOM 0 HD13 ILE A 125 8.053 10.345 -28.205 1.00 19.95 H new ATOM 1926 N ARG A 126 7.630 15.668 -25.913 1.00 19.67 N ATOM 1927 CA ARG A 126 8.413 16.886 -25.742 1.00 20.18 C ATOM 1928 C ARG A 126 8.260 17.439 -24.327 1.00 19.36 C ATOM 1929 O ARG A 126 9.178 18.062 -23.792 1.00 19.42 O ATOM 1930 CB ARG A 126 7.986 17.938 -26.772 1.00 21.37 C ATOM 1931 CG ARG A 126 8.688 19.276 -26.615 1.00 22.05 C ATOM 1932 CD ARG A 126 7.839 20.253 -25.822 1.00 22.88 C ATOM 1933 NE ARG A 126 8.490 21.551 -25.673 1.00 23.53 N ATOM 1934 CZ ARG A 126 8.025 22.524 -24.898 1.00 24.32 C ATOM 1935 NH1 ARG A 126 6.907 22.347 -24.204 1.00 24.55 N ATOM 1936 NH2 ARG A 126 8.677 23.675 -24.815 1.00 24.95 N ATOM 0 H ARG A 126 6.899 15.734 -26.622 1.00 19.67 H new ATOM 0 HA ARG A 126 9.463 16.642 -25.900 1.00 20.18 H new ATOM 0 HB2 ARG A 126 8.181 17.552 -27.773 1.00 21.37 H new ATOM 0 HB3 ARG A 126 6.910 18.092 -26.694 1.00 21.37 H new ATOM 0 HG2 ARG A 126 9.644 19.131 -26.113 1.00 22.05 H new ATOM 0 HG3 ARG A 126 8.904 19.693 -27.598 1.00 22.05 H new ATOM 0 HD2 ARG A 126 6.878 20.385 -26.320 1.00 22.88 H new ATOM 0 HD3 ARG A 126 7.633 19.836 -24.836 1.00 22.88 H new ATOM 0 HE ARG A 126 9.351 21.720 -26.194 1.00 23.53 H new ATOM 0 HH11 ARG A 126 6.403 21.462 -24.265 1.00 24.55 H new ATOM 0 HH12 ARG A 126 6.552 23.096 -23.609 1.00 24.55 H new ATOM 0 HH21 ARG A 126 9.536 23.814 -25.347 1.00 24.95 H new ATOM 0 HH22 ARG A 126 8.319 24.422 -24.220 1.00 24.95 H new ATOM 1950 N GLU A 127 7.097 17.207 -23.725 1.00 18.69 N ATOM 1951 CA GLU A 127 6.826 17.682 -22.372 1.00 17.91 C ATOM 1952 C GLU A 127 7.656 16.919 -21.345 1.00 16.85 C ATOM 1953 O GLU A 127 7.981 17.444 -20.280 1.00 16.48 O ATOM 1954 CB GLU A 127 5.338 17.538 -22.046 1.00 17.50 C ATOM 1955 CG GLU A 127 4.439 18.381 -22.931 1.00 18.61 C ATOM 1956 CD GLU A 127 2.977 18.276 -22.543 1.00 18.51 C ATOM 1957 OE1 GLU A 127 2.306 17.329 -23.006 1.00 18.54 O ATOM 1958 OE2 GLU A 127 2.501 19.141 -21.779 1.00 18.51 O ATOM 0 H GLU A 127 6.327 16.693 -24.153 1.00 18.69 H new ATOM 0 HA GLU A 127 7.104 18.735 -22.325 1.00 17.91 H new ATOM 0 HB2 GLU A 127 5.053 16.491 -22.145 1.00 17.50 H new ATOM 0 HB3 GLU A 127 5.174 17.816 -21.005 1.00 17.50 H new ATOM 0 HG2 GLU A 127 4.753 19.423 -22.874 1.00 18.61 H new ATOM 0 HG3 GLU A 127 4.559 18.068 -23.968 1.00 18.61 H new ATOM 1965 N ALA A 128 7.995 15.677 -21.674 1.00 16.47 N ATOM 1966 CA ALA A 128 8.784 14.836 -20.781 1.00 15.57 C ATOM 1967 C ALA A 128 10.222 14.718 -21.259 1.00 16.23 C ATOM 1968 O ALA A 128 11.070 14.155 -20.568 1.00 15.78 O ATOM 1969 CB ALA A 128 8.162 13.453 -20.676 1.00 14.84 C ATOM 0 H ALA A 128 7.735 15.230 -22.553 1.00 16.47 H new ATOM 0 HA ALA A 128 8.789 15.307 -19.798 1.00 15.57 H new ATOM 0 HB1 ALA A 128 8.760 12.835 -20.007 1.00 14.84 H new ATOM 0 HB2 ALA A 128 7.149 13.539 -20.283 1.00 14.84 H new ATOM 0 HB3 ALA A 128 8.130 12.993 -21.663 1.00 14.84 H new ATOM 1975 N ASP A 129 10.493 15.256 -22.441 1.00 17.37 N ATOM 1976 CA ASP A 129 11.829 15.188 -23.010 1.00 18.16 C ATOM 1977 C ASP A 129 12.477 16.566 -23.076 1.00 18.88 C ATOM 1978 O ASP A 129 12.135 17.388 -23.926 1.00 19.74 O ATOM 1979 CB ASP A 129 11.775 14.568 -24.402 1.00 19.04 C ATOM 1980 CG ASP A 129 13.022 13.778 -24.722 1.00 19.91 C ATOM 1981 OD1 ASP A 129 14.128 14.306 -24.501 1.00 20.40 O ATOM 1982 OD2 ASP A 129 12.893 12.634 -25.200 1.00 20.17 O ATOM 0 H ASP A 129 9.808 15.742 -23.020 1.00 17.37 H new ATOM 0 HA ASP A 129 12.439 14.561 -22.359 1.00 18.16 H new ATOM 0 HB2 ASP A 129 10.905 13.916 -24.474 1.00 19.04 H new ATOM 0 HB3 ASP A 129 11.645 15.356 -25.144 1.00 19.04 H new ATOM 1987 N PHE A 130 13.418 16.805 -22.170 1.00 18.61 N ATOM 1988 CA PHE A 130 14.132 18.076 -22.116 1.00 19.35 C ATOM 1989 C PHE A 130 15.097 18.213 -23.292 1.00 20.46 C ATOM 1990 O PHE A 130 15.691 19.270 -23.500 1.00 21.43 O ATOM 1991 CB PHE A 130 14.894 18.192 -20.795 1.00 18.69 C ATOM 1992 CG PHE A 130 14.002 18.371 -19.600 1.00 17.66 C ATOM 1993 CD1 PHE A 130 13.386 17.279 -19.008 1.00 17.07 C ATOM 1994 CD2 PHE A 130 13.780 19.631 -19.067 1.00 17.35 C ATOM 1995 CE1 PHE A 130 12.564 17.442 -17.908 1.00 16.17 C ATOM 1996 CE2 PHE A 130 12.959 19.799 -17.968 1.00 16.46 C ATOM 1997 CZ PHE A 130 12.351 18.703 -17.388 1.00 15.86 C ATOM 0 H PHE A 130 13.706 16.132 -21.459 1.00 18.61 H new ATOM 0 HA PHE A 130 13.401 18.882 -22.181 1.00 19.35 H new ATOM 0 HB2 PHE A 130 15.500 17.297 -20.655 1.00 18.69 H new ATOM 0 HB3 PHE A 130 15.581 19.036 -20.855 1.00 18.69 H new ATOM 0 HD1 PHE A 130 13.550 16.290 -19.410 1.00 17.07 H new ATOM 0 HD2 PHE A 130 14.254 20.491 -19.516 1.00 17.35 H new ATOM 0 HE1 PHE A 130 12.089 16.584 -17.456 1.00 16.17 H new ATOM 0 HE2 PHE A 130 12.793 20.786 -17.563 1.00 16.46 H new ATOM 0 HZ PHE A 130 11.710 18.832 -16.529 1.00 15.86 H new ATOM 2007 N ASP A 131 15.247 17.134 -24.054 1.00 20.37 N ATOM 2008 CA ASP A 131 16.135 17.124 -25.211 1.00 21.43 C ATOM 2009 C ASP A 131 15.401 16.623 -26.450 1.00 22.32 C ATOM 2010 O ASP A 131 15.927 16.677 -27.562 1.00 23.37 O ATOM 2011 CB ASP A 131 17.355 16.244 -24.932 1.00 21.16 C ATOM 2012 CG ASP A 131 16.993 14.966 -24.197 1.00 20.32 C ATOM 2013 OD1 ASP A 131 16.659 13.965 -24.868 1.00 19.96 O ATOM 2014 OD2 ASP A 131 17.046 14.965 -22.949 1.00 20.09 O ATOM 0 H ASP A 131 14.763 16.252 -23.890 1.00 20.37 H new ATOM 0 HA ASP A 131 16.468 18.145 -25.397 1.00 21.43 H new ATOM 0 HB2 ASP A 131 17.841 15.992 -25.875 1.00 21.16 H new ATOM 0 HB3 ASP A 131 18.078 16.807 -24.341 1.00 21.16 H new ATOM 2019 N GLY A 132 14.178 16.146 -26.242 1.00 21.94 N ATOM 2020 CA GLY A 132 13.371 15.627 -27.325 1.00 22.81 C ATOM 2021 C GLY A 132 14.018 14.440 -27.995 1.00 23.39 C ATOM 2022 O GLY A 132 13.736 13.290 -27.657 1.00 24.32 O ATOM 0 H GLY A 132 13.728 16.111 -25.327 1.00 21.94 H new ATOM 0 HA2 GLY A 132 12.393 15.338 -26.941 1.00 22.81 H new ATOM 0 HA3 GLY A 132 13.205 16.413 -28.062 1.00 22.81 H new ATOM 2026 N ASP A 133 14.894 14.739 -28.941 1.00 22.90 N ATOM 2027 CA ASP A 133 15.623 13.731 -29.713 1.00 23.47 C ATOM 2028 C ASP A 133 14.708 12.591 -30.167 1.00 23.33 C ATOM 2029 O ASP A 133 15.177 11.524 -30.558 1.00 23.88 O ATOM 2030 CB ASP A 133 16.808 13.188 -28.906 1.00 23.07 C ATOM 2031 CG ASP A 133 16.419 12.080 -27.948 1.00 21.88 C ATOM 2032 OD1 ASP A 133 15.943 12.400 -26.841 1.00 21.56 O ATOM 2033 OD2 ASP A 133 16.579 10.896 -28.309 1.00 21.33 O ATOM 0 H ASP A 133 15.125 15.698 -29.201 1.00 22.90 H new ATOM 0 HA ASP A 133 16.006 14.217 -30.610 1.00 23.47 H new ATOM 0 HB2 ASP A 133 17.567 12.815 -29.593 1.00 23.07 H new ATOM 0 HB3 ASP A 133 17.261 14.004 -28.343 1.00 23.07 H new ATOM 2038 N GLY A 134 13.401 12.841 -30.123 1.00 22.67 N ATOM 2039 CA GLY A 134 12.422 11.847 -30.536 1.00 22.60 C ATOM 2040 C GLY A 134 12.577 10.499 -29.847 1.00 21.81 C ATOM 2041 O GLY A 134 12.137 9.480 -30.381 1.00 21.94 O ATOM 0 H GLY A 134 12.999 13.723 -29.805 1.00 22.67 H new ATOM 0 HA2 GLY A 134 11.422 12.232 -30.336 1.00 22.60 H new ATOM 0 HA3 GLY A 134 12.499 11.703 -31.614 1.00 22.60 H new ATOM 2045 N MET A 135 13.197 10.480 -28.669 1.00 21.09 N ATOM 2046 CA MET A 135 13.381 9.230 -27.926 1.00 20.37 C ATOM 2047 C MET A 135 13.290 9.474 -26.423 1.00 19.18 C ATOM 2048 O MET A 135 13.777 10.487 -25.917 1.00 19.03 O ATOM 2049 CB MET A 135 14.725 8.578 -28.264 1.00 20.92 C ATOM 2050 CG MET A 135 15.002 8.479 -29.756 1.00 22.12 C ATOM 2051 SD MET A 135 16.362 7.358 -30.142 1.00 22.91 S ATOM 2052 CE MET A 135 15.626 5.777 -29.734 1.00 22.22 C ATOM 0 H MET A 135 13.578 11.307 -28.209 1.00 21.09 H new ATOM 0 HA MET A 135 12.581 8.552 -28.224 1.00 20.37 H new ATOM 0 HB2 MET A 135 15.524 9.150 -27.793 1.00 20.92 H new ATOM 0 HB3 MET A 135 14.752 7.578 -27.832 1.00 20.92 H new ATOM 0 HG2 MET A 135 14.101 8.139 -30.266 1.00 22.12 H new ATOM 0 HG3 MET A 135 15.233 9.471 -30.145 1.00 22.12 H new ATOM 0 HE1 MET A 135 16.158 5.335 -28.892 1.00 22.22 H new ATOM 0 HE2 MET A 135 14.579 5.921 -29.467 1.00 22.22 H new ATOM 0 HE3 MET A 135 15.693 5.112 -30.595 1.00 22.22 H new ATOM 2062 N ILE A 136 12.691 8.523 -25.710 1.00 18.41 N ATOM 2063 CA ILE A 136 12.520 8.640 -24.266 1.00 17.25 C ATOM 2064 C ILE A 136 13.341 7.597 -23.518 1.00 16.93 C ATOM 2065 O ILE A 136 13.538 6.480 -23.993 1.00 17.36 O ATOM 2066 CB ILE A 136 11.035 8.483 -23.862 1.00 16.55 C ATOM 2067 CG1 ILE A 136 10.209 9.661 -24.393 1.00 16.94 C ATOM 2068 CG2 ILE A 136 10.888 8.360 -22.347 1.00 15.33 C ATOM 2069 CD1 ILE A 136 10.560 10.994 -23.759 1.00 16.79 C ATOM 0 H ILE A 136 12.316 7.663 -26.110 1.00 18.41 H new ATOM 0 HA ILE A 136 12.869 9.636 -23.993 1.00 17.25 H new ATOM 0 HB ILE A 136 10.656 7.564 -24.310 1.00 16.55 H new ATOM 0 HG12 ILE A 136 10.351 9.734 -25.471 1.00 16.94 H new ATOM 0 HG13 ILE A 136 9.152 9.456 -24.223 1.00 16.94 H new ATOM 0 HG21 ILE A 136 9.834 8.251 -22.091 1.00 15.33 H new ATOM 0 HG22 ILE A 136 11.438 7.486 -21.998 1.00 15.33 H new ATOM 0 HG23 ILE A 136 11.286 9.255 -21.869 1.00 15.33 H new ATOM 0 HD11 ILE A 136 9.933 11.777 -24.187 1.00 16.79 H new ATOM 0 HD12 ILE A 136 10.391 10.941 -22.683 1.00 16.79 H new ATOM 0 HD13 ILE A 136 11.608 11.223 -23.951 1.00 16.79 H new ATOM 2081 N ASN A 137 13.813 7.982 -22.340 1.00 16.28 N ATOM 2082 CA ASN A 137 14.598 7.100 -21.490 1.00 16.03 C ATOM 2083 C ASN A 137 13.827 6.808 -20.210 1.00 14.85 C ATOM 2084 O ASN A 137 12.942 7.576 -19.836 1.00 14.21 O ATOM 2085 CB ASN A 137 15.951 7.730 -21.159 1.00 16.50 C ATOM 2086 CG ASN A 137 16.805 7.957 -22.391 1.00 16.54 C ATOM 2087 OD1 ASN A 137 16.290 8.183 -23.487 1.00 16.44 O ATOM 2088 ND2 ASN A 137 18.119 7.896 -22.217 1.00 16.82 N ATOM 0 H ASN A 137 13.663 8.912 -21.948 1.00 16.28 H new ATOM 0 HA ASN A 137 14.780 6.167 -22.024 1.00 16.03 H new ATOM 0 HB2 ASN A 137 15.790 8.682 -20.652 1.00 16.50 H new ATOM 0 HB3 ASN A 137 16.488 7.085 -20.463 1.00 16.50 H new ATOM 0 HD21 ASN A 137 18.746 8.039 -23.009 1.00 16.82 H new ATOM 0 HD22 ASN A 137 18.503 7.706 -21.291 1.00 16.82 H new ATOM 2095 N TYR A 138 14.147 5.696 -19.555 1.00 14.65 N ATOM 2096 CA TYR A 138 13.475 5.311 -18.313 1.00 13.62 C ATOM 2097 C TYR A 138 13.288 6.507 -17.373 1.00 12.81 C ATOM 2098 O TYR A 138 12.420 6.489 -16.502 1.00 11.86 O ATOM 2099 CB TYR A 138 14.270 4.207 -17.607 1.00 13.81 C ATOM 2100 CG TYR A 138 13.763 3.877 -16.220 1.00 12.91 C ATOM 2101 CD1 TYR A 138 12.497 3.333 -16.034 1.00 12.92 C ATOM 2102 CD2 TYR A 138 14.549 4.104 -15.097 1.00 12.17 C ATOM 2103 CE1 TYR A 138 12.029 3.030 -14.770 1.00 12.20 C ATOM 2104 CE2 TYR A 138 14.088 3.803 -13.831 1.00 11.46 C ATOM 2105 CZ TYR A 138 12.834 3.275 -13.668 1.00 11.46 C ATOM 2106 OH TYR A 138 12.367 2.965 -12.412 1.00 10.87 O ATOM 0 H TYR A 138 14.868 5.043 -19.862 1.00 14.65 H new ATOM 0 HA TYR A 138 12.485 4.937 -18.574 1.00 13.62 H new ATOM 0 HB2 TYR A 138 14.241 3.305 -18.218 1.00 13.81 H new ATOM 0 HB3 TYR A 138 15.314 4.512 -17.538 1.00 13.81 H new ATOM 0 HD1 TYR A 138 11.869 3.144 -16.892 1.00 12.92 H new ATOM 0 HD2 TYR A 138 15.537 4.523 -15.216 1.00 12.17 H new ATOM 0 HE1 TYR A 138 11.044 2.606 -14.641 1.00 12.20 H new ATOM 0 HE2 TYR A 138 14.715 3.983 -12.970 1.00 11.46 H new ATOM 0 HH TYR A 138 13.121 2.730 -11.832 1.00 10.87 H new ATOM 2116 N GLU A 139 14.093 7.550 -17.561 1.00 13.28 N ATOM 2117 CA GLU A 139 14.008 8.739 -16.715 1.00 12.75 C ATOM 2118 C GLU A 139 12.872 9.654 -17.168 1.00 12.57 C ATOM 2119 O GLU A 139 11.970 9.978 -16.391 1.00 11.70 O ATOM 2120 CB GLU A 139 15.333 9.501 -16.737 1.00 13.59 C ATOM 2121 CG GLU A 139 16.521 8.663 -16.291 1.00 13.94 C ATOM 2122 CD GLU A 139 17.831 9.424 -16.366 1.00 14.48 C ATOM 2123 OE1 GLU A 139 18.414 9.491 -17.468 1.00 14.82 O ATOM 2124 OE2 GLU A 139 18.272 9.951 -15.324 1.00 14.68 O ATOM 0 H GLU A 139 14.808 7.597 -18.287 1.00 13.28 H new ATOM 0 HA GLU A 139 13.800 8.413 -15.696 1.00 12.75 H new ATOM 0 HB2 GLU A 139 15.516 9.868 -17.747 1.00 13.59 H new ATOM 0 HB3 GLU A 139 15.251 10.375 -16.091 1.00 13.59 H new ATOM 0 HG2 GLU A 139 16.359 8.325 -15.267 1.00 13.94 H new ATOM 0 HG3 GLU A 139 16.587 7.771 -16.914 1.00 13.94 H new ATOM 2131 N GLU A 140 12.914 10.058 -18.435 1.00 13.49 N ATOM 2132 CA GLU A 140 11.888 10.930 -18.994 1.00 13.65 C ATOM 2133 C GLU A 140 10.529 10.239 -18.945 1.00 13.01 C ATOM 2134 O GLU A 140 9.491 10.882 -18.774 1.00 12.80 O ATOM 2135 CB GLU A 140 12.250 11.311 -20.432 1.00 14.90 C ATOM 2136 CG GLU A 140 13.598 12.008 -20.551 1.00 15.69 C ATOM 2137 CD GLU A 140 14.116 12.047 -21.975 1.00 16.90 C ATOM 2138 OE1 GLU A 140 13.891 11.067 -22.715 1.00 17.35 O ATOM 2139 OE2 GLU A 140 14.739 13.060 -22.355 1.00 17.46 O ATOM 0 H GLU A 140 13.648 9.795 -19.093 1.00 13.49 H new ATOM 0 HA GLU A 140 11.832 11.842 -18.399 1.00 13.65 H new ATOM 0 HB2 GLU A 140 12.259 10.411 -21.047 1.00 14.90 H new ATOM 0 HB3 GLU A 140 11.475 11.964 -20.833 1.00 14.90 H new ATOM 0 HG2 GLU A 140 13.510 13.027 -20.173 1.00 15.69 H new ATOM 0 HG3 GLU A 140 14.324 11.496 -19.919 1.00 15.69 H new ATOM 2146 N PHE A 141 10.551 8.918 -19.092 1.00 12.87 N ATOM 2147 CA PHE A 141 9.339 8.115 -19.046 1.00 12.46 C ATOM 2148 C PHE A 141 8.725 8.184 -17.653 1.00 11.27 C ATOM 2149 O PHE A 141 7.552 8.520 -17.492 1.00 11.00 O ATOM 2150 CB PHE A 141 9.662 6.662 -19.410 1.00 12.80 C ATOM 2151 CG PHE A 141 8.508 5.718 -19.229 1.00 12.57 C ATOM 2152 CD1 PHE A 141 7.514 5.623 -20.190 1.00 12.93 C ATOM 2153 CD2 PHE A 141 8.420 4.922 -18.102 1.00 12.17 C ATOM 2154 CE1 PHE A 141 6.456 4.751 -20.026 1.00 12.93 C ATOM 2155 CE2 PHE A 141 7.365 4.051 -17.932 1.00 12.17 C ATOM 2156 CZ PHE A 141 6.365 3.983 -18.895 1.00 12.56 C ATOM 0 H PHE A 141 11.404 8.380 -19.245 1.00 12.87 H new ATOM 0 HA PHE A 141 8.622 8.507 -19.767 1.00 12.46 H new ATOM 0 HB2 PHE A 141 9.991 6.623 -20.448 1.00 12.80 H new ATOM 0 HB3 PHE A 141 10.497 6.321 -18.798 1.00 12.80 H new ATOM 0 HD1 PHE A 141 7.567 6.237 -21.077 1.00 12.93 H new ATOM 0 HD2 PHE A 141 9.188 4.983 -17.345 1.00 12.17 H new ATOM 0 HE1 PHE A 141 5.698 4.674 -20.791 1.00 12.93 H new ATOM 0 HE2 PHE A 141 7.316 3.424 -17.054 1.00 12.17 H new ATOM 0 HZ PHE A 141 5.519 3.327 -18.752 1.00 12.56 H new ATOM 2166 N VAL A 142 9.540 7.859 -16.654 1.00 10.70 N ATOM 2167 CA VAL A 142 9.118 7.887 -15.258 1.00 9.58 C ATOM 2168 C VAL A 142 8.420 9.200 -14.909 1.00 9.23 C ATOM 2169 O VAL A 142 7.480 9.223 -14.113 1.00 8.50 O ATOM 2170 CB VAL A 142 10.333 7.686 -14.320 1.00 9.36 C ATOM 2171 CG1 VAL A 142 10.106 8.341 -12.963 1.00 8.32 C ATOM 2172 CG2 VAL A 142 10.634 6.205 -14.152 1.00 9.69 C ATOM 0 H VAL A 142 10.509 7.570 -16.789 1.00 10.70 H new ATOM 0 HA VAL A 142 8.409 7.071 -15.117 1.00 9.58 H new ATOM 0 HB VAL A 142 11.193 8.170 -14.782 1.00 9.36 H new ATOM 0 HG11 VAL A 142 10.979 8.180 -12.331 1.00 8.32 H new ATOM 0 HG12 VAL A 142 9.948 9.411 -13.097 1.00 8.32 H new ATOM 0 HG13 VAL A 142 9.228 7.901 -12.489 1.00 8.32 H new ATOM 0 HG21 VAL A 142 11.491 6.081 -13.490 1.00 9.69 H new ATOM 0 HG22 VAL A 142 9.767 5.704 -13.721 1.00 9.69 H new ATOM 0 HG23 VAL A 142 10.860 5.767 -15.124 1.00 9.69 H new ATOM 2182 N TRP A 143 8.880 10.291 -15.509 1.00 9.94 N ATOM 2183 CA TRP A 143 8.301 11.600 -15.234 1.00 9.97 C ATOM 2184 C TRP A 143 6.883 11.742 -15.785 1.00 10.29 C ATOM 2185 O TRP A 143 5.959 12.043 -15.036 1.00 9.82 O ATOM 2186 CB TRP A 143 9.179 12.711 -15.807 1.00 10.95 C ATOM 2187 CG TRP A 143 8.653 14.081 -15.503 1.00 11.20 C ATOM 2188 CD1 TRP A 143 8.884 14.829 -14.385 1.00 10.93 C ATOM 2189 CD2 TRP A 143 7.792 14.854 -16.333 1.00 11.97 C ATOM 2190 NE1 TRP A 143 8.214 16.026 -14.475 1.00 11.51 N ATOM 2191 CE2 TRP A 143 7.535 16.064 -15.665 1.00 12.15 C ATOM 2192 CE3 TRP A 143 7.217 14.633 -17.578 1.00 12.67 C ATOM 2193 CZ2 TRP A 143 6.721 17.054 -16.210 1.00 13.01 C ATOM 2194 CZ3 TRP A 143 6.408 15.612 -18.123 1.00 13.49 C ATOM 2195 CH2 TRP A 143 6.166 16.811 -17.438 1.00 13.66 C ATOM 0 H TRP A 143 9.645 10.296 -16.183 1.00 9.94 H new ATOM 0 HA TRP A 143 8.249 11.691 -14.149 1.00 9.97 H new ATOM 0 HB2 TRP A 143 10.187 12.616 -15.404 1.00 10.95 H new ATOM 0 HB3 TRP A 143 9.255 12.587 -16.887 1.00 10.95 H new ATOM 0 HD1 TRP A 143 9.502 14.525 -13.553 1.00 10.93 H new ATOM 0 HE1 TRP A 143 8.221 16.765 -13.772 1.00 11.51 H new ATOM 0 HE3 TRP A 143 7.399 13.712 -18.111 1.00 12.67 H new ATOM 0 HZ2 TRP A 143 6.535 17.979 -15.684 1.00 13.01 H new ATOM 0 HZ3 TRP A 143 5.956 15.451 -19.090 1.00 13.49 H new ATOM 0 HH2 TRP A 143 5.529 17.558 -17.888 1.00 13.66 H new ATOM 2206 N MET A 144 6.710 11.517 -17.088 1.00 11.22 N ATOM 2207 CA MET A 144 5.397 11.677 -17.721 1.00 11.83 C ATOM 2208 C MET A 144 4.349 10.691 -17.200 1.00 11.29 C ATOM 2209 O MET A 144 3.153 10.970 -17.265 1.00 11.65 O ATOM 2210 CB MET A 144 5.513 11.566 -19.243 1.00 13.01 C ATOM 2211 CG MET A 144 5.979 10.206 -19.730 1.00 13.05 C ATOM 2212 SD MET A 144 5.885 10.044 -21.525 1.00 14.50 S ATOM 2213 CE MET A 144 6.711 8.474 -21.782 1.00 14.50 C ATOM 0 H MET A 144 7.454 11.226 -17.722 1.00 11.22 H new ATOM 0 HA MET A 144 5.051 12.675 -17.452 1.00 11.83 H new ATOM 0 HB2 MET A 144 4.543 11.787 -19.688 1.00 13.01 H new ATOM 0 HB3 MET A 144 6.208 12.326 -19.600 1.00 13.01 H new ATOM 0 HG2 MET A 144 7.007 10.041 -19.407 1.00 13.05 H new ATOM 0 HG3 MET A 144 5.370 9.430 -19.266 1.00 13.05 H new ATOM 0 HE1 MET A 144 6.110 7.851 -22.444 1.00 14.50 H new ATOM 0 HE2 MET A 144 7.688 8.646 -22.234 1.00 14.50 H new ATOM 0 HE3 MET A 144 6.838 7.969 -20.825 1.00 14.50 H new ATOM 2223 N ILE A 145 4.787 9.548 -16.685 1.00 10.61 N ATOM 2224 CA ILE A 145 3.853 8.545 -16.174 1.00 10.28 C ATOM 2225 C ILE A 145 3.367 8.881 -14.766 1.00 9.33 C ATOM 2226 O ILE A 145 2.202 8.661 -14.435 1.00 9.45 O ATOM 2227 CB ILE A 145 4.482 7.146 -16.159 1.00 10.17 C ATOM 2228 CG1 ILE A 145 5.728 7.143 -15.281 1.00 9.32 C ATOM 2229 CG2 ILE A 145 4.814 6.708 -17.575 1.00 11.25 C ATOM 2230 CD1 ILE A 145 6.235 5.757 -14.951 1.00 9.30 C ATOM 0 H ILE A 145 5.771 9.292 -16.609 1.00 10.61 H new ATOM 0 HA ILE A 145 3.001 8.552 -16.854 1.00 10.28 H new ATOM 0 HB ILE A 145 3.768 6.437 -15.741 1.00 10.17 H new ATOM 0 HG12 ILE A 145 6.518 7.699 -15.785 1.00 9.32 H new ATOM 0 HG13 ILE A 145 5.509 7.671 -14.353 1.00 9.32 H new ATOM 0 HG21 ILE A 145 5.260 5.714 -17.553 1.00 11.25 H new ATOM 0 HG22 ILE A 145 3.902 6.684 -18.172 1.00 11.25 H new ATOM 0 HG23 ILE A 145 5.519 7.412 -18.018 1.00 11.25 H new ATOM 0 HD11 ILE A 145 7.123 5.834 -14.324 1.00 9.30 H new ATOM 0 HD12 ILE A 145 5.461 5.204 -14.418 1.00 9.30 H new ATOM 0 HD13 ILE A 145 6.486 5.233 -15.873 1.00 9.30 H new ATOM 2242 N SER A 146 4.265 9.406 -13.937 1.00 8.54 N ATOM 2243 CA SER A 146 3.923 9.767 -12.565 1.00 7.66 C ATOM 2244 C SER A 146 2.809 10.804 -12.547 1.00 8.22 C ATOM 2245 O SER A 146 2.200 11.068 -11.511 1.00 7.89 O ATOM 2246 CB SER A 146 5.155 10.311 -11.837 1.00 6.98 C ATOM 2247 OG SER A 146 4.827 10.742 -10.528 1.00 6.80 O ATOM 0 H SER A 146 5.235 9.591 -14.192 1.00 8.54 H new ATOM 0 HA SER A 146 3.574 8.871 -12.051 1.00 7.66 H new ATOM 0 HB2 SER A 146 5.922 9.538 -11.787 1.00 6.98 H new ATOM 0 HB3 SER A 146 5.577 11.142 -12.402 1.00 6.98 H new ATOM 0 HG SER A 146 3.857 10.863 -10.457 1.00 6.80 H new ATOM 2253 N GLN A 147 2.556 11.386 -13.709 1.00 9.26 N ATOM 2254 CA GLN A 147 1.535 12.412 -13.861 1.00 10.11 C ATOM 2255 C GLN A 147 0.213 11.805 -14.319 1.00 11.05 C ATOM 2256 O GLN A 147 -0.852 12.390 -14.118 1.00 11.87 O ATOM 2257 CB GLN A 147 2.022 13.449 -14.868 1.00 10.77 C ATOM 2258 CG GLN A 147 3.535 13.583 -14.891 1.00 10.15 C ATOM 2259 CD GLN A 147 4.076 14.323 -13.682 1.00 9.47 C ATOM 2260 OE1 GLN A 147 4.390 13.583 -12.621 1.00 10.00 O flip ATOM 2261 NE2 GLN A 147 4.210 15.546 -13.699 1.00 8.44 N flip ATOM 0 H GLN A 147 3.051 11.161 -14.572 1.00 9.26 H new ATOM 0 HA GLN A 147 1.361 12.889 -12.896 1.00 10.11 H new ATOM 0 HB2 GLN A 147 1.671 13.175 -15.863 1.00 10.77 H new ATOM 0 HB3 GLN A 147 1.580 14.416 -14.629 1.00 10.77 H new ATOM 0 HG2 GLN A 147 3.983 12.590 -14.935 1.00 10.15 H new ATOM 0 HG3 GLN A 147 3.835 14.108 -15.798 1.00 10.15 H new ATOM 0 HE21 GLN A 147 3.957 16.075 -14.533 1.00 8.44 H new ATOM 0 HE22 GLN A 147 4.574 16.031 -12.879 1.00 8.44 H new ATOM 2270 N LYS A 148 0.291 10.632 -14.940 1.00 11.08 N ATOM 2271 CA LYS A 148 -0.897 9.937 -15.427 1.00 12.08 C ATOM 2272 C LYS A 148 -1.879 9.670 -14.290 1.00 12.24 C ATOM 2273 O LYS A 148 -2.819 10.475 -14.120 1.00 12.44 O ATOM 2274 CB LYS A 148 -0.503 8.619 -16.096 1.00 12.12 C ATOM 2275 CG LYS A 148 0.293 8.799 -17.380 1.00 12.94 C ATOM 2276 CD LYS A 148 0.691 7.460 -17.984 1.00 13.10 C ATOM 2277 CE LYS A 148 1.375 7.637 -19.330 1.00 13.06 C ATOM 2278 NZ LYS A 148 1.731 6.330 -19.949 1.00 13.68 N ATOM 2279 OXT LYS A 148 -1.699 8.660 -13.577 1.00 12.34 O ATOM 0 H LYS A 148 1.167 10.141 -15.118 1.00 11.08 H new ATOM 0 HA LYS A 148 -1.386 10.578 -16.160 1.00 12.08 H new ATOM 0 HB2 LYS A 148 0.085 8.027 -15.394 1.00 12.12 H new ATOM 0 HB3 LYS A 148 -1.406 8.049 -16.315 1.00 12.12 H new ATOM 0 HG2 LYS A 148 -0.300 9.362 -18.101 1.00 12.94 H new ATOM 0 HG3 LYS A 148 1.188 9.387 -17.175 1.00 12.94 H new ATOM 0 HD2 LYS A 148 1.360 6.936 -17.301 1.00 13.10 H new ATOM 0 HD3 LYS A 148 -0.195 6.836 -18.104 1.00 13.10 H new ATOM 0 HE2 LYS A 148 0.717 8.189 -20.001 1.00 13.06 H new ATOM 0 HE3 LYS A 148 2.277 8.236 -19.203 1.00 13.06 H new ATOM 0 HZ1 LYS A 148 2.313 6.494 -20.795 1.00 13.68 H new ATOM 0 HZ2 LYS A 148 2.267 5.757 -19.266 1.00 13.68 H new ATOM 0 HZ3 LYS A 148 0.862 5.825 -20.218 1.00 13.68 H new