USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 642 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 97 THR OG1 : rot -120:sc= -1.1 USER MOD Set 1.2: A 100 GLN : amide:sc= 0.0434 K(o=-1.1,f=-1.9) USER MOD Set 2.1: A 82 GLN : amide:sc= -1.04 X(o=-1.1,f=-0.74) USER MOD Set 2.2: A 147 MET CE :methyl 141:sc= -0.0634 (180deg=-0.387) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 179:sc= -0.0253 (180deg=-0.0283) USER MOD Single : A 85 LYS NZ :NH3+ 156:sc= 1.21 (180deg=0.0916) USER MOD Single : A 87 SER OG : rot 42:sc= 0.102 USER MOD Single : A 90 HIS : no HD1:sc= 0.228 K(o=0.23,f=-2.8!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -132:sc= 0.38 (180deg=-1.68!) USER MOD Single : A 103 GLN : amide:sc= -0.0576 K(o=-0.058,f=-1.3!) USER MOD Single : A 104 HIS : no HD1:sc= -0.171 X(o=-0.17,f=0.026) USER MOD Single : A 107 SER OG : rot -5:sc= 0.188 USER MOD Single : A 110 LYS NZ :NH3+ 162:sc= 1.29 (180deg=1.11) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HE2:sc= 0.442 K(o=0.44,f=-5.2!) USER MOD Single : A 115 SER OG : rot -21:sc= 0.626 USER MOD Single : A 118 LYS NZ :NH3+ 157:sc= -0.427 (180deg=-2.14!) USER MOD Single : A 122 LYS NZ :NH3+ 165:sc= -0.0362 (180deg=-0.245) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HD1:sc= -0.0031 X(o=-0.0031,f=-0.014) USER MOD Single : A 129 ASN : amide:sc= -0.189 K(o=-0.19,f=-2.6!) USER MOD Single : A 133 SER OG : rot 180:sc= -0.95 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 THR OG1 : rot 180:sc= 0.00625 USER MOD Single : A 141 ASN : amide:sc= -0.853 K(o=-0.85,f=-1.9) USER MOD Single : A 142 SER OG : rot 3:sc= 0.641 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 54 N LEU A 76 8.257 -3.215 -5.512 1.00 0.41 N ATOM 55 CA LEU A 76 7.523 -3.630 -4.326 1.00 0.29 C ATOM 56 C LEU A 76 6.336 -4.507 -4.708 1.00 0.23 C ATOM 57 O LEU A 76 5.426 -4.068 -5.418 1.00 0.28 O ATOM 58 CB LEU A 76 7.028 -2.412 -3.528 1.00 0.26 C ATOM 59 CG LEU A 76 8.114 -1.525 -2.900 1.00 0.35 C ATOM 60 CD1 LEU A 76 8.751 -0.614 -3.937 1.00 0.54 C ATOM 61 CD2 LEU A 76 7.532 -0.703 -1.759 1.00 0.27 C ATOM 0 HA LEU A 76 8.206 -4.205 -3.700 1.00 0.29 H new ATOM 0 HB2 LEU A 76 6.420 -1.794 -4.189 1.00 0.26 H new ATOM 0 HB3 LEU A 76 6.373 -2.767 -2.732 1.00 0.26 H new ATOM 0 HG LEU A 76 8.892 -2.177 -2.504 1.00 0.35 H new ATOM 0 HD11 LEU A 76 9.515 0.001 -3.461 1.00 0.54 H new ATOM 0 HD12 LEU A 76 9.208 -1.218 -4.721 1.00 0.54 H new ATOM 0 HD13 LEU A 76 7.988 0.030 -4.374 1.00 0.54 H new ATOM 0 HD21 LEU A 76 8.313 -0.080 -1.324 1.00 0.27 H new ATOM 0 HD22 LEU A 76 6.731 -0.069 -2.139 1.00 0.27 H new ATOM 0 HD23 LEU A 76 7.134 -1.371 -0.995 1.00 0.27 H new ATOM 73 N THR A 77 6.355 -5.749 -4.251 1.00 0.20 N ATOM 74 CA THR A 77 5.237 -6.653 -4.451 1.00 0.16 C ATOM 75 C THR A 77 4.259 -6.525 -3.293 1.00 0.16 C ATOM 76 O THR A 77 4.420 -7.170 -2.257 1.00 0.20 O ATOM 77 CB THR A 77 5.702 -8.117 -4.562 1.00 0.15 C ATOM 78 OG1 THR A 77 6.687 -8.243 -5.599 1.00 0.21 O ATOM 79 CG2 THR A 77 4.523 -9.043 -4.847 1.00 0.26 C ATOM 0 H THR A 77 7.137 -6.154 -3.737 1.00 0.20 H new ATOM 0 HA THR A 77 4.751 -6.377 -5.387 1.00 0.16 H new ATOM 0 HB THR A 77 6.144 -8.408 -3.609 1.00 0.15 H new ATOM 0 HG1 THR A 77 6.978 -9.177 -5.662 1.00 0.21 H new ATOM 0 HG21 THR A 77 4.877 -10.071 -4.921 1.00 0.26 H new ATOM 0 HG22 THR A 77 3.797 -8.967 -4.038 1.00 0.26 H new ATOM 0 HG23 THR A 77 4.052 -8.753 -5.786 1.00 0.26 H new ATOM 87 N LEU A 78 3.259 -5.685 -3.472 1.00 0.17 N ATOM 88 CA LEU A 78 2.279 -5.432 -2.434 1.00 0.20 C ATOM 89 C LEU A 78 1.226 -6.534 -2.447 1.00 0.18 C ATOM 90 O LEU A 78 0.294 -6.510 -3.254 1.00 0.20 O ATOM 91 CB LEU A 78 1.617 -4.065 -2.648 1.00 0.22 C ATOM 92 CG LEU A 78 2.564 -2.926 -3.047 1.00 0.30 C ATOM 93 CD1 LEU A 78 1.791 -1.628 -3.223 1.00 0.69 C ATOM 94 CD2 LEU A 78 3.670 -2.750 -2.019 1.00 0.72 C ATOM 0 H LEU A 78 3.103 -5.162 -4.334 1.00 0.17 H new ATOM 0 HA LEU A 78 2.779 -5.425 -1.466 1.00 0.20 H new ATOM 0 HB2 LEU A 78 0.855 -4.167 -3.420 1.00 0.22 H new ATOM 0 HB3 LEU A 78 1.104 -3.782 -1.729 1.00 0.22 H new ATOM 0 HG LEU A 78 3.026 -3.189 -3.999 1.00 0.30 H new ATOM 0 HD11 LEU A 78 2.478 -0.831 -3.506 1.00 0.69 H new ATOM 0 HD12 LEU A 78 1.041 -1.754 -4.004 1.00 0.69 H new ATOM 0 HD13 LEU A 78 1.299 -1.367 -2.286 1.00 0.69 H new ATOM 0 HD21 LEU A 78 4.327 -1.936 -2.327 1.00 0.72 H new ATOM 0 HD22 LEU A 78 3.231 -2.515 -1.049 1.00 0.72 H new ATOM 0 HD23 LEU A 78 4.246 -3.672 -1.943 1.00 0.72 H new ATOM 106 N LYS A 79 1.396 -7.514 -1.575 1.00 0.19 N ATOM 107 CA LYS A 79 0.473 -8.632 -1.506 1.00 0.19 C ATOM 108 C LYS A 79 -0.635 -8.352 -0.494 1.00 0.17 C ATOM 109 O LYS A 79 -0.377 -8.199 0.703 1.00 0.18 O ATOM 110 CB LYS A 79 1.226 -9.910 -1.144 1.00 0.29 C ATOM 111 CG LYS A 79 0.341 -11.144 -1.093 1.00 0.35 C ATOM 112 CD LYS A 79 1.141 -12.397 -0.772 1.00 0.88 C ATOM 113 CE LYS A 79 1.943 -12.238 0.511 1.00 0.97 C ATOM 114 NZ LYS A 79 2.645 -13.489 0.893 1.00 1.39 N ATOM 0 H LYS A 79 2.165 -7.557 -0.906 1.00 0.19 H new ATOM 0 HA LYS A 79 0.010 -8.766 -2.484 1.00 0.19 H new ATOM 0 HB2 LYS A 79 2.020 -10.073 -1.873 1.00 0.29 H new ATOM 0 HB3 LYS A 79 1.706 -9.777 -0.174 1.00 0.29 H new ATOM 0 HG2 LYS A 79 -0.435 -11.005 -0.340 1.00 0.35 H new ATOM 0 HG3 LYS A 79 -0.164 -11.270 -2.051 1.00 0.35 H new ATOM 0 HD2 LYS A 79 0.464 -13.246 -0.676 1.00 0.88 H new ATOM 0 HD3 LYS A 79 1.816 -12.620 -1.598 1.00 0.88 H new ATOM 0 HE2 LYS A 79 2.673 -11.438 0.384 1.00 0.97 H new ATOM 0 HE3 LYS A 79 1.276 -11.936 1.319 1.00 0.97 H new ATOM 0 HZ1 LYS A 79 3.178 -13.333 1.772 1.00 1.39 H new ATOM 0 HZ2 LYS A 79 1.948 -14.247 1.040 1.00 1.39 H new ATOM 0 HZ3 LYS A 79 3.301 -13.764 0.135 1.00 1.39 H new ATOM 128 N LYS A 80 -1.865 -8.276 -0.985 1.00 0.20 N ATOM 129 CA LYS A 80 -3.008 -7.937 -0.153 1.00 0.20 C ATOM 130 C LYS A 80 -3.759 -9.192 0.270 1.00 0.26 C ATOM 131 O LYS A 80 -4.407 -9.848 -0.546 1.00 0.30 O ATOM 132 CB LYS A 80 -3.937 -6.996 -0.917 1.00 0.18 C ATOM 133 CG LYS A 80 -5.157 -6.548 -0.134 1.00 0.21 C ATOM 134 CD LYS A 80 -6.045 -5.663 -0.987 1.00 0.26 C ATOM 135 CE LYS A 80 -7.317 -5.270 -0.266 1.00 0.30 C ATOM 136 NZ LYS A 80 -8.218 -4.464 -1.130 1.00 0.40 N ATOM 0 H LYS A 80 -2.096 -8.446 -1.964 1.00 0.20 H new ATOM 0 HA LYS A 80 -2.651 -7.437 0.747 1.00 0.20 H new ATOM 0 HB2 LYS A 80 -3.372 -6.115 -1.221 1.00 0.18 H new ATOM 0 HB3 LYS A 80 -4.268 -7.493 -1.829 1.00 0.18 H new ATOM 0 HG2 LYS A 80 -5.719 -7.419 0.203 1.00 0.21 H new ATOM 0 HG3 LYS A 80 -4.844 -6.006 0.758 1.00 0.21 H new ATOM 0 HD2 LYS A 80 -5.497 -4.764 -1.270 1.00 0.26 H new ATOM 0 HD3 LYS A 80 -6.298 -6.185 -1.910 1.00 0.26 H new ATOM 0 HE2 LYS A 80 -7.839 -6.168 0.065 1.00 0.30 H new ATOM 0 HE3 LYS A 80 -7.066 -4.700 0.628 1.00 0.30 H new ATOM 0 HZ1 LYS A 80 -9.085 -4.230 -0.605 1.00 0.40 H new ATOM 0 HZ2 LYS A 80 -7.736 -3.587 -1.411 1.00 0.40 H new ATOM 0 HZ3 LYS A 80 -8.465 -5.011 -1.979 1.00 0.40 H new ATOM 150 N ILE A 81 -3.687 -9.503 1.553 1.00 0.33 N ATOM 151 CA ILE A 81 -4.263 -10.738 2.077 1.00 0.42 C ATOM 152 C ILE A 81 -5.426 -10.468 3.026 1.00 0.42 C ATOM 153 O ILE A 81 -5.793 -11.325 3.827 1.00 0.46 O ATOM 154 CB ILE A 81 -3.202 -11.587 2.817 1.00 0.53 C ATOM 155 CG1 ILE A 81 -2.537 -10.770 3.933 1.00 0.51 C ATOM 156 CG2 ILE A 81 -2.160 -12.102 1.837 1.00 0.64 C ATOM 157 CD1 ILE A 81 -1.572 -11.569 4.780 1.00 0.63 C ATOM 0 H ILE A 81 -3.235 -8.918 2.256 1.00 0.33 H new ATOM 0 HA ILE A 81 -4.633 -11.290 1.213 1.00 0.42 H new ATOM 0 HB ILE A 81 -3.701 -12.442 3.273 1.00 0.53 H new ATOM 0 HG12 ILE A 81 -2.005 -9.929 3.488 1.00 0.51 H new ATOM 0 HG13 ILE A 81 -3.312 -10.353 4.576 1.00 0.51 H new ATOM 0 HG21 ILE A 81 -1.420 -12.697 2.372 1.00 0.64 H new ATOM 0 HG22 ILE A 81 -2.645 -12.720 1.081 1.00 0.64 H new ATOM 0 HG23 ILE A 81 -1.666 -11.259 1.354 1.00 0.64 H new ATOM 0 HD11 ILE A 81 -1.142 -10.925 5.547 1.00 0.63 H new ATOM 0 HD12 ILE A 81 -2.102 -12.395 5.255 1.00 0.63 H new ATOM 0 HD13 ILE A 81 -0.776 -11.964 4.149 1.00 0.63 H new ATOM 169 N GLN A 82 -6.012 -9.282 2.939 1.00 0.44 N ATOM 170 CA GLN A 82 -7.103 -8.924 3.834 1.00 0.47 C ATOM 171 C GLN A 82 -8.460 -9.052 3.142 1.00 0.49 C ATOM 172 O GLN A 82 -9.078 -10.113 3.187 1.00 0.54 O ATOM 173 CB GLN A 82 -6.895 -7.516 4.384 1.00 0.46 C ATOM 174 CG GLN A 82 -5.612 -7.371 5.188 1.00 0.47 C ATOM 175 CD GLN A 82 -5.524 -8.342 6.356 1.00 0.57 C ATOM 176 OE1 GLN A 82 -4.439 -8.793 6.723 1.00 1.22 O ATOM 177 NE2 GLN A 82 -6.658 -8.658 6.960 1.00 1.15 N ATOM 0 H GLN A 82 -5.754 -8.559 2.267 1.00 0.44 H new ATOM 0 HA GLN A 82 -7.101 -9.625 4.669 1.00 0.47 H new ATOM 0 HB2 GLN A 82 -6.879 -6.808 3.556 1.00 0.46 H new ATOM 0 HB3 GLN A 82 -7.743 -7.250 5.014 1.00 0.46 H new ATOM 0 HG2 GLN A 82 -4.758 -7.527 4.529 1.00 0.47 H new ATOM 0 HG3 GLN A 82 -5.541 -6.351 5.566 1.00 0.47 H new ATOM 0 HE21 GLN A 82 -7.539 -8.265 6.629 1.00 1.15 H new ATOM 0 HE22 GLN A 82 -6.651 -9.294 7.757 1.00 1.15 H new ATOM 186 N ALA A 83 -8.916 -7.989 2.486 1.00 0.46 N ATOM 187 CA ALA A 83 -10.181 -8.024 1.752 1.00 0.50 C ATOM 188 C ALA A 83 -10.337 -6.779 0.891 1.00 0.47 C ATOM 189 O ALA A 83 -9.896 -5.699 1.277 1.00 0.47 O ATOM 190 CB ALA A 83 -11.360 -8.144 2.710 1.00 0.60 C ATOM 0 H ALA A 83 -8.431 -7.093 2.446 1.00 0.46 H new ATOM 0 HA ALA A 83 -10.168 -8.900 1.104 1.00 0.50 H new ATOM 0 HB1 ALA A 83 -12.290 -8.168 2.142 1.00 0.60 H new ATOM 0 HB2 ALA A 83 -11.265 -9.062 3.290 1.00 0.60 H new ATOM 0 HB3 ALA A 83 -11.369 -7.288 3.385 1.00 0.60 H new ATOM 196 N PRO A 84 -10.918 -6.911 -0.316 1.00 0.48 N ATOM 197 CA PRO A 84 -11.276 -8.207 -0.920 1.00 0.48 C ATOM 198 C PRO A 84 -10.068 -8.963 -1.492 1.00 0.40 C ATOM 199 O PRO A 84 -10.231 -9.917 -2.256 1.00 0.39 O ATOM 200 CB PRO A 84 -12.244 -7.830 -2.054 1.00 0.53 C ATOM 201 CG PRO A 84 -12.540 -6.376 -1.872 1.00 0.77 C ATOM 202 CD PRO A 84 -11.354 -5.796 -1.159 1.00 0.54 C ATOM 0 HA PRO A 84 -11.702 -8.879 -0.175 1.00 0.48 H new ATOM 0 HB2 PRO A 84 -11.796 -8.018 -3.029 1.00 0.53 H new ATOM 0 HB3 PRO A 84 -13.156 -8.424 -2.003 1.00 0.53 H new ATOM 0 HG2 PRO A 84 -12.694 -5.886 -2.834 1.00 0.77 H new ATOM 0 HG3 PRO A 84 -13.452 -6.234 -1.292 1.00 0.77 H new ATOM 0 HD2 PRO A 84 -10.575 -5.483 -1.854 1.00 0.54 H new ATOM 0 HD3 PRO A 84 -11.623 -4.921 -0.568 1.00 0.54 H new ATOM 210 N LYS A 85 -8.865 -8.502 -1.126 1.00 0.35 N ATOM 211 CA LYS A 85 -7.595 -9.173 -1.459 1.00 0.30 C ATOM 212 C LYS A 85 -7.203 -8.988 -2.931 1.00 0.27 C ATOM 213 O LYS A 85 -8.062 -8.902 -3.809 1.00 0.31 O ATOM 214 CB LYS A 85 -7.652 -10.672 -1.131 1.00 0.34 C ATOM 215 CG LYS A 85 -8.067 -10.997 0.298 1.00 0.41 C ATOM 216 CD LYS A 85 -8.016 -12.501 0.541 1.00 0.50 C ATOM 217 CE LYS A 85 -8.504 -12.885 1.930 1.00 1.33 C ATOM 218 NZ LYS A 85 -9.918 -12.486 2.159 1.00 1.96 N ATOM 0 H LYS A 85 -8.741 -7.646 -0.586 1.00 0.35 H new ATOM 0 HA LYS A 85 -6.832 -8.698 -0.842 1.00 0.30 H new ATOM 0 HB2 LYS A 85 -8.350 -11.153 -1.816 1.00 0.34 H new ATOM 0 HB3 LYS A 85 -6.671 -11.108 -1.318 1.00 0.34 H new ATOM 0 HG2 LYS A 85 -7.407 -10.487 0.999 1.00 0.41 H new ATOM 0 HG3 LYS A 85 -9.075 -10.627 0.483 1.00 0.41 H new ATOM 0 HD2 LYS A 85 -8.626 -13.007 -0.207 1.00 0.50 H new ATOM 0 HD3 LYS A 85 -6.993 -12.852 0.409 1.00 0.50 H new ATOM 0 HE2 LYS A 85 -8.406 -13.963 2.062 1.00 1.33 H new ATOM 0 HE3 LYS A 85 -7.869 -12.413 2.680 1.00 1.33 H new ATOM 0 HZ1 LYS A 85 -10.333 -13.088 2.899 1.00 1.96 H new ATOM 0 HZ2 LYS A 85 -9.954 -11.491 2.461 1.00 1.96 H new ATOM 0 HZ3 LYS A 85 -10.458 -12.599 1.277 1.00 1.96 H new ATOM 232 N PHE A 86 -5.893 -8.923 -3.178 1.00 0.24 N ATOM 233 CA PHE A 86 -5.337 -8.871 -4.534 1.00 0.23 C ATOM 234 C PHE A 86 -3.814 -8.959 -4.476 1.00 0.22 C ATOM 235 O PHE A 86 -3.232 -9.015 -3.389 1.00 0.24 O ATOM 236 CB PHE A 86 -5.777 -7.607 -5.311 1.00 0.26 C ATOM 237 CG PHE A 86 -5.392 -6.270 -4.711 1.00 0.25 C ATOM 238 CD1 PHE A 86 -4.090 -6.000 -4.310 1.00 0.27 C ATOM 239 CD2 PHE A 86 -6.339 -5.268 -4.585 1.00 0.30 C ATOM 240 CE1 PHE A 86 -3.749 -4.767 -3.790 1.00 0.30 C ATOM 241 CE2 PHE A 86 -6.002 -4.034 -4.062 1.00 0.32 C ATOM 242 CZ PHE A 86 -4.705 -3.783 -3.666 1.00 0.28 C ATOM 0 H PHE A 86 -5.186 -8.905 -2.443 1.00 0.24 H new ATOM 0 HA PHE A 86 -5.733 -9.728 -5.079 1.00 0.23 H new ATOM 0 HB2 PHE A 86 -5.358 -7.662 -6.316 1.00 0.26 H new ATOM 0 HB3 PHE A 86 -6.862 -7.633 -5.416 1.00 0.26 H new ATOM 0 HD1 PHE A 86 -3.334 -6.765 -4.406 1.00 0.27 H new ATOM 0 HD2 PHE A 86 -7.355 -5.453 -4.900 1.00 0.30 H new ATOM 0 HE1 PHE A 86 -2.732 -4.574 -3.480 1.00 0.30 H new ATOM 0 HE2 PHE A 86 -6.755 -3.266 -3.963 1.00 0.32 H new ATOM 0 HZ PHE A 86 -4.440 -2.818 -3.260 1.00 0.28 H new ATOM 252 N SER A 87 -3.174 -8.965 -5.635 1.00 0.22 N ATOM 253 CA SER A 87 -1.722 -8.987 -5.708 1.00 0.24 C ATOM 254 C SER A 87 -1.227 -8.004 -6.766 1.00 0.23 C ATOM 255 O SER A 87 -1.564 -8.126 -7.945 1.00 0.31 O ATOM 256 CB SER A 87 -1.238 -10.405 -6.016 1.00 0.34 C ATOM 257 OG SER A 87 -1.955 -10.962 -7.107 1.00 1.32 O ATOM 0 H SER A 87 -3.640 -8.955 -6.542 1.00 0.22 H new ATOM 0 HA SER A 87 -1.314 -8.681 -4.745 1.00 0.24 H new ATOM 0 HB2 SER A 87 -0.173 -10.387 -6.247 1.00 0.34 H new ATOM 0 HB3 SER A 87 -1.362 -11.035 -5.135 1.00 0.34 H new ATOM 0 HG SER A 87 -2.063 -10.285 -7.807 1.00 1.32 H new ATOM 263 N ILE A 88 -0.434 -7.026 -6.342 1.00 0.18 N ATOM 264 CA ILE A 88 0.047 -5.991 -7.248 1.00 0.19 C ATOM 265 C ILE A 88 1.544 -5.775 -7.077 1.00 0.21 C ATOM 266 O ILE A 88 2.072 -5.865 -5.971 1.00 0.38 O ATOM 267 CB ILE A 88 -0.675 -4.642 -7.018 1.00 0.20 C ATOM 268 CG1 ILE A 88 -0.548 -4.217 -5.553 1.00 0.18 C ATOM 269 CG2 ILE A 88 -2.136 -4.731 -7.435 1.00 0.20 C ATOM 270 CD1 ILE A 88 -1.207 -2.894 -5.228 1.00 0.21 C ATOM 0 H ILE A 88 -0.112 -6.929 -5.379 1.00 0.18 H new ATOM 0 HA ILE A 88 -0.167 -6.339 -8.259 1.00 0.19 H new ATOM 0 HB ILE A 88 -0.198 -3.884 -7.639 1.00 0.20 H new ATOM 0 HG12 ILE A 88 -0.985 -4.992 -4.923 1.00 0.18 H new ATOM 0 HG13 ILE A 88 0.509 -4.156 -5.295 1.00 0.18 H new ATOM 0 HG21 ILE A 88 -2.622 -3.771 -7.264 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -2.198 -4.985 -8.493 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -2.636 -5.501 -6.847 1.00 0.20 H new ATOM 0 HD11 ILE A 88 -1.070 -2.669 -4.170 1.00 0.21 H new ATOM 0 HD12 ILE A 88 -0.755 -2.105 -5.829 1.00 0.21 H new ATOM 0 HD13 ILE A 88 -2.272 -2.954 -5.451 1.00 0.21 H new ATOM 282 N GLU A 89 2.226 -5.500 -8.174 1.00 0.21 N ATOM 283 CA GLU A 89 3.637 -5.169 -8.126 1.00 0.25 C ATOM 284 C GLU A 89 3.863 -3.778 -8.688 1.00 0.24 C ATOM 285 O GLU A 89 3.504 -3.493 -9.829 1.00 0.33 O ATOM 286 CB GLU A 89 4.467 -6.197 -8.897 1.00 0.30 C ATOM 287 CG GLU A 89 4.484 -7.564 -8.242 1.00 1.02 C ATOM 288 CD GLU A 89 5.396 -8.542 -8.946 1.00 1.07 C ATOM 289 OE1 GLU A 89 6.628 -8.366 -8.881 1.00 0.93 O ATOM 290 OE2 GLU A 89 4.886 -9.510 -9.546 1.00 1.45 O ATOM 0 H GLU A 89 1.823 -5.500 -9.111 1.00 0.21 H new ATOM 0 HA GLU A 89 3.960 -5.188 -7.085 1.00 0.25 H new ATOM 0 HB2 GLU A 89 4.070 -6.291 -9.908 1.00 0.30 H new ATOM 0 HB3 GLU A 89 5.490 -5.833 -8.989 1.00 0.30 H new ATOM 0 HG2 GLU A 89 4.802 -7.460 -7.205 1.00 1.02 H new ATOM 0 HG3 GLU A 89 3.471 -7.966 -8.226 1.00 1.02 H new ATOM 297 N HIS A 90 4.433 -2.909 -7.873 1.00 0.24 N ATOM 298 CA HIS A 90 4.712 -1.543 -8.286 1.00 0.28 C ATOM 299 C HIS A 90 6.131 -1.161 -7.905 1.00 0.33 C ATOM 300 O HIS A 90 6.557 -1.386 -6.774 1.00 0.44 O ATOM 301 CB HIS A 90 3.717 -0.559 -7.658 1.00 0.36 C ATOM 302 CG HIS A 90 2.374 -0.538 -8.324 1.00 1.10 C ATOM 303 ND1 HIS A 90 2.210 -0.517 -9.690 1.00 1.86 N ATOM 304 CD2 HIS A 90 1.128 -0.512 -7.799 1.00 1.51 C ATOM 305 CE1 HIS A 90 0.924 -0.476 -9.976 1.00 2.42 C ATOM 306 NE2 HIS A 90 0.239 -0.469 -8.845 1.00 2.20 N ATOM 0 H HIS A 90 4.713 -3.125 -6.916 1.00 0.24 H new ATOM 0 HA HIS A 90 4.604 -1.490 -9.369 1.00 0.28 H new ATOM 0 HB2 HIS A 90 3.585 -0.814 -6.606 1.00 0.36 H new ATOM 0 HB3 HIS A 90 4.143 0.444 -7.692 1.00 0.36 H new ATOM 0 HD2 HIS A 90 0.878 -0.523 -6.748 1.00 1.51 H new ATOM 0 HE1 HIS A 90 0.500 -0.452 -10.969 1.00 2.42 H new ATOM 0 HE2 HIS A 90 -0.777 -0.437 -8.763 1.00 2.20 H new ATOM 315 N ASP A 91 6.869 -0.600 -8.848 1.00 0.39 N ATOM 316 CA ASP A 91 8.242 -0.196 -8.588 1.00 0.47 C ATOM 317 C ASP A 91 8.328 1.317 -8.452 1.00 0.45 C ATOM 318 O ASP A 91 7.628 2.055 -9.149 1.00 0.54 O ATOM 319 CB ASP A 91 9.185 -0.693 -9.692 1.00 0.65 C ATOM 320 CG ASP A 91 9.145 0.155 -10.948 1.00 1.18 C ATOM 321 OD1 ASP A 91 8.159 0.066 -11.707 1.00 1.83 O ATOM 322 OD2 ASP A 91 10.116 0.911 -11.187 1.00 1.73 O ATOM 0 H ASP A 91 6.543 -0.414 -9.797 1.00 0.39 H new ATOM 0 HA ASP A 91 8.559 -0.652 -7.650 1.00 0.47 H new ATOM 0 HB2 ASP A 91 10.205 -0.711 -9.307 1.00 0.65 H new ATOM 0 HB3 ASP A 91 8.923 -1.720 -9.948 1.00 0.65 H new ATOM 327 N PHE A 92 9.173 1.773 -7.542 1.00 0.40 N ATOM 328 CA PHE A 92 9.304 3.196 -7.256 1.00 0.43 C ATOM 329 C PHE A 92 10.768 3.571 -7.073 1.00 0.43 C ATOM 330 O PHE A 92 11.644 2.705 -7.066 1.00 0.45 O ATOM 331 CB PHE A 92 8.511 3.569 -5.998 1.00 0.44 C ATOM 332 CG PHE A 92 7.022 3.448 -6.155 1.00 0.55 C ATOM 333 CD1 PHE A 92 6.273 4.504 -6.647 1.00 0.83 C ATOM 334 CD2 PHE A 92 6.372 2.275 -5.813 1.00 0.53 C ATOM 335 CE1 PHE A 92 4.904 4.392 -6.793 1.00 0.97 C ATOM 336 CE2 PHE A 92 5.004 2.155 -5.958 1.00 0.68 C ATOM 337 CZ PHE A 92 4.267 3.234 -6.445 1.00 0.85 C ATOM 0 H PHE A 92 9.783 1.175 -6.984 1.00 0.40 H new ATOM 0 HA PHE A 92 8.900 3.750 -8.103 1.00 0.43 H new ATOM 0 HB2 PHE A 92 8.832 2.930 -5.176 1.00 0.44 H new ATOM 0 HB3 PHE A 92 8.754 4.594 -5.718 1.00 0.44 H new ATOM 0 HD1 PHE A 92 6.765 5.426 -6.920 1.00 0.83 H new ATOM 0 HD2 PHE A 92 6.942 1.443 -5.428 1.00 0.53 H new ATOM 0 HE1 PHE A 92 4.335 5.223 -7.184 1.00 0.97 H new ATOM 0 HE2 PHE A 92 4.508 1.232 -5.696 1.00 0.68 H new ATOM 0 HZ PHE A 92 3.195 3.155 -6.547 1.00 0.85 H new ATOM 347 N SER A 93 11.024 4.866 -6.946 1.00 0.48 N ATOM 348 CA SER A 93 12.368 5.369 -6.715 1.00 0.49 C ATOM 349 C SER A 93 12.725 5.249 -5.230 1.00 0.42 C ATOM 350 O SER A 93 11.886 5.492 -4.362 1.00 0.42 O ATOM 351 CB SER A 93 12.456 6.824 -7.178 1.00 0.63 C ATOM 352 OG SER A 93 12.054 6.950 -8.535 1.00 0.81 O ATOM 0 H SER A 93 10.310 5.592 -7.000 1.00 0.48 H new ATOM 0 HA SER A 93 13.082 4.776 -7.287 1.00 0.49 H new ATOM 0 HB2 SER A 93 11.823 7.449 -6.548 1.00 0.63 H new ATOM 0 HB3 SER A 93 13.478 7.185 -7.062 1.00 0.63 H new ATOM 0 HG SER A 93 12.117 7.889 -8.809 1.00 0.81 H new ATOM 358 N PRO A 94 13.980 4.874 -4.923 1.00 0.46 N ATOM 359 CA PRO A 94 14.425 4.580 -3.549 1.00 0.51 C ATOM 360 C PRO A 94 14.369 5.768 -2.594 1.00 0.52 C ATOM 361 O PRO A 94 14.602 5.608 -1.406 1.00 0.73 O ATOM 362 CB PRO A 94 15.880 4.133 -3.718 1.00 0.71 C ATOM 363 CG PRO A 94 16.301 4.662 -5.044 1.00 0.67 C ATOM 364 CD PRO A 94 15.066 4.686 -5.899 1.00 0.57 C ATOM 0 HA PRO A 94 13.765 3.839 -3.099 1.00 0.51 H new ATOM 0 HB2 PRO A 94 16.508 4.528 -2.919 1.00 0.71 H new ATOM 0 HB3 PRO A 94 15.965 3.047 -3.683 1.00 0.71 H new ATOM 0 HG2 PRO A 94 16.726 5.661 -4.947 1.00 0.67 H new ATOM 0 HG3 PRO A 94 17.070 4.030 -5.489 1.00 0.67 H new ATOM 0 HD2 PRO A 94 15.097 5.497 -6.627 1.00 0.57 H new ATOM 0 HD3 PRO A 94 14.947 3.759 -6.459 1.00 0.57 H new ATOM 372 N SER A 95 14.094 6.958 -3.095 1.00 0.47 N ATOM 373 CA SER A 95 13.990 8.116 -2.222 1.00 0.51 C ATOM 374 C SER A 95 12.567 8.668 -2.197 1.00 0.44 C ATOM 375 O SER A 95 12.323 9.755 -1.675 1.00 0.49 O ATOM 376 CB SER A 95 14.980 9.195 -2.651 1.00 0.62 C ATOM 377 OG SER A 95 16.295 8.668 -2.724 1.00 0.89 O ATOM 0 H SER A 95 13.941 7.149 -4.085 1.00 0.47 H new ATOM 0 HA SER A 95 14.238 7.797 -1.210 1.00 0.51 H new ATOM 0 HB2 SER A 95 14.690 9.597 -3.622 1.00 0.62 H new ATOM 0 HB3 SER A 95 14.953 10.023 -1.942 1.00 0.62 H new ATOM 0 HG SER A 95 16.915 9.374 -3.002 1.00 0.89 H new ATOM 383 N ASP A 96 11.632 7.919 -2.768 1.00 0.36 N ATOM 384 CA ASP A 96 10.232 8.331 -2.782 1.00 0.33 C ATOM 385 C ASP A 96 9.568 7.934 -1.473 1.00 0.26 C ATOM 386 O ASP A 96 10.161 7.225 -0.655 1.00 0.24 O ATOM 387 CB ASP A 96 9.500 7.701 -3.969 1.00 0.35 C ATOM 388 CG ASP A 96 8.263 8.485 -4.368 1.00 0.80 C ATOM 389 OD1 ASP A 96 8.018 9.560 -3.779 1.00 1.37 O ATOM 390 OD2 ASP A 96 7.518 8.019 -5.255 1.00 1.23 O ATOM 0 H ASP A 96 11.815 7.026 -3.226 1.00 0.36 H new ATOM 0 HA ASP A 96 10.182 9.415 -2.890 1.00 0.33 H new ATOM 0 HB2 ASP A 96 10.178 7.640 -4.820 1.00 0.35 H new ATOM 0 HB3 ASP A 96 9.214 6.680 -3.716 1.00 0.35 H new ATOM 395 N THR A 97 8.350 8.398 -1.270 1.00 0.28 N ATOM 396 CA THR A 97 7.637 8.152 -0.033 1.00 0.22 C ATOM 397 C THR A 97 6.489 7.176 -0.242 1.00 0.19 C ATOM 398 O THR A 97 5.876 7.135 -1.312 1.00 0.23 O ATOM 399 CB THR A 97 7.087 9.466 0.557 1.00 0.25 C ATOM 400 OG1 THR A 97 6.451 10.240 -0.470 1.00 0.32 O ATOM 401 CG2 THR A 97 8.196 10.284 1.197 1.00 0.31 C ATOM 0 H THR A 97 7.831 8.951 -1.952 1.00 0.28 H new ATOM 0 HA THR A 97 8.349 7.715 0.667 1.00 0.22 H new ATOM 0 HB THR A 97 6.357 9.210 1.325 1.00 0.25 H new ATOM 0 HG1 THR A 97 6.900 11.107 -0.552 1.00 0.32 H new ATOM 0 HG21 THR A 97 7.780 11.205 1.605 1.00 0.31 H new ATOM 0 HG22 THR A 97 8.657 9.708 1.999 1.00 0.31 H new ATOM 0 HG23 THR A 97 8.948 10.527 0.447 1.00 0.31 H new ATOM 409 N ILE A 98 6.210 6.392 0.796 1.00 0.17 N ATOM 410 CA ILE A 98 5.072 5.479 0.811 1.00 0.18 C ATOM 411 C ILE A 98 3.773 6.237 0.539 1.00 0.18 C ATOM 412 O ILE A 98 2.802 5.670 0.052 1.00 0.20 O ATOM 413 CB ILE A 98 4.973 4.740 2.172 1.00 0.18 C ATOM 414 CG1 ILE A 98 6.195 3.844 2.396 1.00 0.19 C ATOM 415 CG2 ILE A 98 3.698 3.914 2.264 1.00 0.24 C ATOM 416 CD1 ILE A 98 6.343 2.747 1.365 1.00 0.22 C ATOM 0 H ILE A 98 6.767 6.372 1.650 1.00 0.17 H new ATOM 0 HA ILE A 98 5.225 4.741 0.024 1.00 0.18 H new ATOM 0 HB ILE A 98 4.945 5.499 2.953 1.00 0.18 H new ATOM 0 HG12 ILE A 98 7.093 4.461 2.388 1.00 0.19 H new ATOM 0 HG13 ILE A 98 6.127 3.393 3.386 1.00 0.19 H new ATOM 0 HG21 ILE A 98 3.660 3.410 3.229 1.00 0.24 H new ATOM 0 HG22 ILE A 98 2.832 4.569 2.162 1.00 0.24 H new ATOM 0 HG23 ILE A 98 3.687 3.172 1.466 1.00 0.24 H new ATOM 0 HD11 ILE A 98 7.230 2.154 1.589 1.00 0.22 H new ATOM 0 HD12 ILE A 98 5.462 2.105 1.388 1.00 0.22 H new ATOM 0 HD13 ILE A 98 6.444 3.190 0.374 1.00 0.22 H new ATOM 428 N LEU A 99 3.779 7.528 0.845 1.00 0.19 N ATOM 429 CA LEU A 99 2.633 8.397 0.596 1.00 0.21 C ATOM 430 C LEU A 99 2.273 8.391 -0.880 1.00 0.20 C ATOM 431 O LEU A 99 1.096 8.362 -1.237 1.00 0.21 O ATOM 432 CB LEU A 99 2.957 9.818 1.082 1.00 0.27 C ATOM 433 CG LEU A 99 1.775 10.793 1.171 1.00 0.36 C ATOM 434 CD1 LEU A 99 2.078 11.885 2.182 1.00 0.71 C ATOM 435 CD2 LEU A 99 1.477 11.418 -0.185 1.00 0.64 C ATOM 0 H LEU A 99 4.575 8.002 1.271 1.00 0.19 H new ATOM 0 HA LEU A 99 1.769 8.026 1.148 1.00 0.21 H new ATOM 0 HB2 LEU A 99 3.416 9.746 2.068 1.00 0.27 H new ATOM 0 HB3 LEU A 99 3.704 10.246 0.413 1.00 0.27 H new ATOM 0 HG LEU A 99 0.897 10.232 1.492 1.00 0.36 H new ATOM 0 HD11 LEU A 99 1.234 12.573 2.239 1.00 0.71 H new ATOM 0 HD12 LEU A 99 2.248 11.437 3.161 1.00 0.71 H new ATOM 0 HD13 LEU A 99 2.970 12.430 1.873 1.00 0.71 H new ATOM 0 HD21 LEU A 99 0.635 12.104 -0.092 1.00 0.64 H new ATOM 0 HD22 LEU A 99 2.353 11.964 -0.535 1.00 0.64 H new ATOM 0 HD23 LEU A 99 1.229 10.634 -0.900 1.00 0.64 H new ATOM 447 N GLN A 100 3.284 8.387 -1.738 1.00 0.20 N ATOM 448 CA GLN A 100 3.049 8.399 -3.170 1.00 0.21 C ATOM 449 C GLN A 100 2.503 7.053 -3.622 1.00 0.15 C ATOM 450 O GLN A 100 1.672 6.978 -4.523 1.00 0.13 O ATOM 451 CB GLN A 100 4.338 8.739 -3.910 1.00 0.29 C ATOM 452 CG GLN A 100 5.071 9.917 -3.292 1.00 0.39 C ATOM 453 CD GLN A 100 4.204 11.154 -3.164 1.00 0.45 C ATOM 454 OE1 GLN A 100 3.324 11.402 -3.988 1.00 0.70 O ATOM 455 NE2 GLN A 100 4.428 11.922 -2.109 1.00 0.53 N ATOM 0 H GLN A 100 4.267 8.376 -1.467 1.00 0.20 H new ATOM 0 HA GLN A 100 2.309 9.164 -3.403 1.00 0.21 H new ATOM 0 HB2 GLN A 100 4.993 7.868 -3.911 1.00 0.29 H new ATOM 0 HB3 GLN A 100 4.107 8.965 -4.951 1.00 0.29 H new ATOM 0 HG2 GLN A 100 5.437 9.633 -2.305 1.00 0.39 H new ATOM 0 HG3 GLN A 100 5.944 10.154 -3.900 1.00 0.39 H new ATOM 0 HE21 GLN A 100 5.168 11.680 -1.450 1.00 0.53 H new ATOM 0 HE22 GLN A 100 3.861 12.756 -1.955 1.00 0.53 H new ATOM 464 N ILE A 101 2.961 5.994 -2.966 1.00 0.13 N ATOM 465 CA ILE A 101 2.477 4.648 -3.242 1.00 0.12 C ATOM 466 C ILE A 101 1.023 4.516 -2.805 1.00 0.10 C ATOM 467 O ILE A 101 0.183 3.990 -3.535 1.00 0.11 O ATOM 468 CB ILE A 101 3.325 3.584 -2.513 1.00 0.15 C ATOM 469 CG1 ILE A 101 4.806 3.758 -2.856 1.00 0.17 C ATOM 470 CG2 ILE A 101 2.847 2.182 -2.874 1.00 0.20 C ATOM 471 CD1 ILE A 101 5.705 2.716 -2.227 1.00 0.21 C ATOM 0 H ILE A 101 3.671 6.043 -2.235 1.00 0.13 H new ATOM 0 HA ILE A 101 2.559 4.480 -4.316 1.00 0.12 H new ATOM 0 HB ILE A 101 3.204 3.718 -1.438 1.00 0.15 H new ATOM 0 HG12 ILE A 101 4.925 3.721 -3.939 1.00 0.17 H new ATOM 0 HG13 ILE A 101 5.130 4.747 -2.533 1.00 0.17 H new ATOM 0 HG21 ILE A 101 3.456 1.444 -2.351 1.00 0.20 H new ATOM 0 HG22 ILE A 101 1.804 2.066 -2.579 1.00 0.20 H new ATOM 0 HG23 ILE A 101 2.939 2.032 -3.950 1.00 0.20 H new ATOM 0 HD11 ILE A 101 6.739 2.905 -2.516 1.00 0.21 H new ATOM 0 HD12 ILE A 101 5.616 2.766 -1.142 1.00 0.21 H new ATOM 0 HD13 ILE A 101 5.408 1.725 -2.570 1.00 0.21 H new ATOM 483 N LYS A 102 0.735 5.017 -1.613 1.00 0.13 N ATOM 484 CA LYS A 102 -0.609 4.978 -1.060 1.00 0.17 C ATOM 485 C LYS A 102 -1.567 5.813 -1.902 1.00 0.15 C ATOM 486 O LYS A 102 -2.650 5.352 -2.261 1.00 0.17 O ATOM 487 CB LYS A 102 -0.603 5.472 0.385 1.00 0.28 C ATOM 488 CG LYS A 102 0.102 4.534 1.352 1.00 0.50 C ATOM 489 CD LYS A 102 -0.057 5.004 2.788 1.00 0.94 C ATOM 490 CE LYS A 102 0.469 3.979 3.779 1.00 0.81 C ATOM 491 NZ LYS A 102 -0.057 4.219 5.151 1.00 0.83 N ATOM 0 H LYS A 102 1.424 5.460 -1.005 1.00 0.13 H new ATOM 0 HA LYS A 102 -0.954 3.944 -1.076 1.00 0.17 H new ATOM 0 HB2 LYS A 102 -0.120 6.448 0.423 1.00 0.28 H new ATOM 0 HB3 LYS A 102 -1.632 5.613 0.715 1.00 0.28 H new ATOM 0 HG2 LYS A 102 -0.305 3.528 1.249 1.00 0.50 H new ATOM 0 HG3 LYS A 102 1.161 4.477 1.100 1.00 0.50 H new ATOM 0 HD2 LYS A 102 0.474 5.946 2.923 1.00 0.94 H new ATOM 0 HD3 LYS A 102 -1.110 5.200 2.992 1.00 0.94 H new ATOM 0 HE2 LYS A 102 0.188 2.978 3.451 1.00 0.81 H new ATOM 0 HE3 LYS A 102 1.558 4.014 3.796 1.00 0.81 H new ATOM 0 HZ1 LYS A 102 0.727 4.187 5.834 1.00 0.83 H new ATOM 0 HZ2 LYS A 102 -0.513 5.153 5.190 1.00 0.83 H new ATOM 0 HZ3 LYS A 102 -0.753 3.484 5.389 1.00 0.83 H new ATOM 505 N GLN A 103 -1.155 7.032 -2.235 1.00 0.14 N ATOM 506 CA GLN A 103 -1.947 7.896 -3.107 1.00 0.14 C ATOM 507 C GLN A 103 -2.115 7.265 -4.471 1.00 0.13 C ATOM 508 O GLN A 103 -3.063 7.565 -5.196 1.00 0.16 O ATOM 509 CB GLN A 103 -1.288 9.261 -3.272 1.00 0.17 C ATOM 510 CG GLN A 103 -1.509 10.193 -2.095 1.00 0.23 C ATOM 511 CD GLN A 103 -2.921 10.741 -2.055 1.00 0.33 C ATOM 512 OE1 GLN A 103 -3.571 10.895 -3.090 1.00 0.83 O ATOM 513 NE2 GLN A 103 -3.402 11.044 -0.864 1.00 0.45 N ATOM 0 H GLN A 103 -0.279 7.445 -1.915 1.00 0.14 H new ATOM 0 HA GLN A 103 -2.923 8.024 -2.640 1.00 0.14 H new ATOM 0 HB2 GLN A 103 -0.217 9.122 -3.417 1.00 0.17 H new ATOM 0 HB3 GLN A 103 -1.674 9.734 -4.175 1.00 0.17 H new ATOM 0 HG2 GLN A 103 -1.302 9.659 -1.167 1.00 0.23 H new ATOM 0 HG3 GLN A 103 -0.802 11.020 -2.151 1.00 0.23 H new ATOM 0 HE21 GLN A 103 -2.830 10.901 -0.032 1.00 0.45 H new ATOM 0 HE22 GLN A 103 -4.346 11.421 -0.776 1.00 0.45 H new ATOM 522 N HIS A 104 -1.195 6.384 -4.811 1.00 0.12 N ATOM 523 CA HIS A 104 -1.220 5.744 -6.117 1.00 0.12 C ATOM 524 C HIS A 104 -2.235 4.617 -6.108 1.00 0.12 C ATOM 525 O HIS A 104 -2.921 4.378 -7.095 1.00 0.18 O ATOM 526 CB HIS A 104 0.161 5.216 -6.513 1.00 0.14 C ATOM 527 CG HIS A 104 0.295 4.954 -7.983 1.00 0.22 C ATOM 528 ND1 HIS A 104 1.050 5.746 -8.821 1.00 1.21 N ATOM 529 CD2 HIS A 104 -0.243 3.989 -8.766 1.00 0.98 C ATOM 530 CE1 HIS A 104 0.967 5.282 -10.054 1.00 0.95 C ATOM 531 NE2 HIS A 104 0.190 4.216 -10.048 1.00 0.54 N ATOM 0 H HIS A 104 -0.425 6.095 -4.208 1.00 0.12 H new ATOM 0 HA HIS A 104 -1.508 6.489 -6.859 1.00 0.12 H new ATOM 0 HB2 HIS A 104 0.919 5.937 -6.209 1.00 0.14 H new ATOM 0 HB3 HIS A 104 0.361 4.294 -5.967 1.00 0.14 H new ATOM 0 HD2 HIS A 104 -0.892 3.189 -8.442 1.00 0.98 H new ATOM 0 HE1 HIS A 104 1.453 5.704 -10.921 1.00 0.95 H new ATOM 0 HE2 HIS A 104 -0.050 3.652 -10.864 1.00 0.54 H new ATOM 540 N LEU A 105 -2.341 3.936 -4.980 1.00 0.11 N ATOM 541 CA LEU A 105 -3.338 2.894 -4.829 1.00 0.12 C ATOM 542 C LEU A 105 -4.723 3.521 -4.732 1.00 0.13 C ATOM 543 O LEU A 105 -5.709 2.943 -5.182 1.00 0.18 O ATOM 544 CB LEU A 105 -3.033 2.026 -3.607 1.00 0.13 C ATOM 545 CG LEU A 105 -1.660 1.343 -3.633 1.00 0.14 C ATOM 546 CD1 LEU A 105 -1.508 0.391 -2.459 1.00 0.17 C ATOM 547 CD2 LEU A 105 -1.449 0.608 -4.947 1.00 0.18 C ATOM 0 H LEU A 105 -1.752 4.085 -4.161 1.00 0.11 H new ATOM 0 HA LEU A 105 -3.312 2.245 -5.704 1.00 0.12 H new ATOM 0 HB2 LEU A 105 -3.099 2.646 -2.713 1.00 0.13 H new ATOM 0 HB3 LEU A 105 -3.803 1.260 -3.521 1.00 0.13 H new ATOM 0 HG LEU A 105 -0.897 2.116 -3.546 1.00 0.14 H new ATOM 0 HD11 LEU A 105 -0.527 -0.082 -2.499 1.00 0.17 H new ATOM 0 HD12 LEU A 105 -1.606 0.946 -1.526 1.00 0.17 H new ATOM 0 HD13 LEU A 105 -2.282 -0.375 -2.509 1.00 0.17 H new ATOM 0 HD21 LEU A 105 -0.469 0.131 -4.944 1.00 0.18 H new ATOM 0 HD22 LEU A 105 -2.222 -0.151 -5.067 1.00 0.18 H new ATOM 0 HD23 LEU A 105 -1.505 1.317 -5.773 1.00 0.18 H new ATOM 559 N ILE A 106 -4.788 4.717 -4.157 1.00 0.11 N ATOM 560 CA ILE A 106 -6.018 5.499 -4.168 1.00 0.13 C ATOM 561 C ILE A 106 -6.395 5.865 -5.600 1.00 0.14 C ATOM 562 O ILE A 106 -7.549 5.730 -6.010 1.00 0.17 O ATOM 563 CB ILE A 106 -5.876 6.807 -3.360 1.00 0.13 C ATOM 564 CG1 ILE A 106 -5.532 6.517 -1.901 1.00 0.14 C ATOM 565 CG2 ILE A 106 -7.154 7.631 -3.449 1.00 0.16 C ATOM 566 CD1 ILE A 106 -5.308 7.770 -1.083 1.00 0.15 C ATOM 0 H ILE A 106 -4.006 5.165 -3.679 1.00 0.11 H new ATOM 0 HA ILE A 106 -6.791 4.881 -3.710 1.00 0.13 H new ATOM 0 HB ILE A 106 -5.058 7.382 -3.793 1.00 0.13 H new ATOM 0 HG12 ILE A 106 -6.338 5.937 -1.452 1.00 0.14 H new ATOM 0 HG13 ILE A 106 -4.635 5.899 -1.861 1.00 0.14 H new ATOM 0 HG21 ILE A 106 -7.036 8.549 -2.874 1.00 0.16 H new ATOM 0 HG22 ILE A 106 -7.355 7.879 -4.491 1.00 0.16 H new ATOM 0 HG23 ILE A 106 -7.987 7.055 -3.046 1.00 0.16 H new ATOM 0 HD11 ILE A 106 -5.067 7.496 -0.056 1.00 0.15 H new ATOM 0 HD12 ILE A 106 -4.483 8.340 -1.509 1.00 0.15 H new ATOM 0 HD13 ILE A 106 -6.213 8.378 -1.094 1.00 0.15 H new ATOM 578 N SER A 107 -5.404 6.312 -6.361 1.00 0.13 N ATOM 579 CA SER A 107 -5.642 6.830 -7.695 1.00 0.17 C ATOM 580 C SER A 107 -6.021 5.717 -8.677 1.00 0.18 C ATOM 581 O SER A 107 -6.729 5.965 -9.653 1.00 0.27 O ATOM 582 CB SER A 107 -4.417 7.619 -8.177 1.00 0.23 C ATOM 583 OG SER A 107 -3.257 6.810 -8.228 1.00 0.61 O ATOM 0 H SER A 107 -4.426 6.325 -6.073 1.00 0.13 H new ATOM 0 HA SER A 107 -6.494 7.509 -7.653 1.00 0.17 H new ATOM 0 HB2 SER A 107 -4.616 8.031 -9.166 1.00 0.23 H new ATOM 0 HB3 SER A 107 -4.243 8.463 -7.509 1.00 0.23 H new ATOM 0 HG SER A 107 -3.462 5.921 -7.871 1.00 0.61 H new ATOM 589 N GLU A 108 -5.570 4.489 -8.417 1.00 0.16 N ATOM 590 CA GLU A 108 -5.975 3.350 -9.242 1.00 0.17 C ATOM 591 C GLU A 108 -7.156 2.612 -8.609 1.00 0.17 C ATOM 592 O GLU A 108 -7.440 1.461 -8.950 1.00 0.21 O ATOM 593 CB GLU A 108 -4.799 2.392 -9.503 1.00 0.20 C ATOM 594 CG GLU A 108 -4.123 1.857 -8.251 1.00 0.22 C ATOM 595 CD GLU A 108 -3.068 0.811 -8.562 1.00 0.28 C ATOM 596 OE1 GLU A 108 -3.409 -0.387 -8.638 1.00 0.35 O ATOM 597 OE2 GLU A 108 -1.884 1.178 -8.725 1.00 0.42 O ATOM 0 H GLU A 108 -4.934 4.259 -7.654 1.00 0.16 H new ATOM 0 HA GLU A 108 -6.296 3.740 -10.208 1.00 0.17 H new ATOM 0 HB2 GLU A 108 -5.159 1.549 -10.093 1.00 0.20 H new ATOM 0 HB3 GLU A 108 -4.055 2.909 -10.108 1.00 0.20 H new ATOM 0 HG2 GLU A 108 -3.662 2.683 -7.709 1.00 0.22 H new ATOM 0 HG3 GLU A 108 -4.876 1.424 -7.592 1.00 0.22 H new ATOM 604 N GLU A 109 -7.837 3.296 -7.684 1.00 0.16 N ATOM 605 CA GLU A 109 -9.059 2.792 -7.049 1.00 0.19 C ATOM 606 C GLU A 109 -8.852 1.437 -6.377 1.00 0.20 C ATOM 607 O GLU A 109 -9.733 0.577 -6.393 1.00 0.30 O ATOM 608 CB GLU A 109 -10.202 2.704 -8.062 1.00 0.24 C ATOM 609 CG GLU A 109 -10.660 4.057 -8.580 1.00 0.31 C ATOM 610 CD GLU A 109 -11.889 3.953 -9.455 1.00 1.02 C ATOM 611 OE1 GLU A 109 -13.016 4.022 -8.918 1.00 0.95 O ATOM 612 OE2 GLU A 109 -11.740 3.803 -10.684 1.00 1.86 O ATOM 0 H GLU A 109 -7.555 4.219 -7.353 1.00 0.16 H new ATOM 0 HA GLU A 109 -9.323 3.507 -6.270 1.00 0.19 H new ATOM 0 HB2 GLU A 109 -9.883 2.090 -8.905 1.00 0.24 H new ATOM 0 HB3 GLU A 109 -11.048 2.196 -7.600 1.00 0.24 H new ATOM 0 HG2 GLU A 109 -10.873 4.713 -7.736 1.00 0.31 H new ATOM 0 HG3 GLU A 109 -9.852 4.519 -9.147 1.00 0.31 H new ATOM 619 N LYS A 110 -7.690 1.255 -5.779 1.00 0.15 N ATOM 620 CA LYS A 110 -7.392 0.036 -5.043 1.00 0.17 C ATOM 621 C LYS A 110 -7.574 0.273 -3.552 1.00 0.19 C ATOM 622 O LYS A 110 -7.592 -0.669 -2.755 1.00 0.27 O ATOM 623 CB LYS A 110 -5.963 -0.418 -5.338 1.00 0.21 C ATOM 624 CG LYS A 110 -5.740 -0.814 -6.783 1.00 0.23 C ATOM 625 CD LYS A 110 -6.461 -2.099 -7.143 1.00 0.23 C ATOM 626 CE LYS A 110 -6.339 -2.395 -8.628 1.00 0.36 C ATOM 627 NZ LYS A 110 -4.925 -2.581 -9.048 1.00 1.22 N ATOM 0 H LYS A 110 -6.932 1.938 -5.787 1.00 0.15 H new ATOM 0 HA LYS A 110 -8.079 -0.748 -5.360 1.00 0.17 H new ATOM 0 HB2 LYS A 110 -5.274 0.386 -5.080 1.00 0.21 H new ATOM 0 HB3 LYS A 110 -5.720 -1.265 -4.696 1.00 0.21 H new ATOM 0 HG2 LYS A 110 -6.084 -0.011 -7.435 1.00 0.23 H new ATOM 0 HG3 LYS A 110 -4.672 -0.936 -6.964 1.00 0.23 H new ATOM 0 HD2 LYS A 110 -6.045 -2.927 -6.568 1.00 0.23 H new ATOM 0 HD3 LYS A 110 -7.513 -2.018 -6.870 1.00 0.23 H new ATOM 0 HE2 LYS A 110 -6.908 -3.294 -8.866 1.00 0.36 H new ATOM 0 HE3 LYS A 110 -6.781 -1.577 -9.197 1.00 0.36 H new ATOM 0 HZ1 LYS A 110 -4.897 -3.070 -9.966 1.00 1.22 H new ATOM 0 HZ2 LYS A 110 -4.464 -1.653 -9.136 1.00 1.22 H new ATOM 0 HZ3 LYS A 110 -4.424 -3.151 -8.337 1.00 1.22 H new ATOM 641 N ALA A 111 -7.717 1.539 -3.191 1.00 0.16 N ATOM 642 CA ALA A 111 -7.893 1.933 -1.807 1.00 0.18 C ATOM 643 C ALA A 111 -8.706 3.213 -1.713 1.00 0.19 C ATOM 644 O ALA A 111 -8.925 3.895 -2.716 1.00 0.29 O ATOM 645 CB ALA A 111 -6.544 2.127 -1.141 1.00 0.20 C ATOM 0 H ALA A 111 -7.714 2.318 -3.849 1.00 0.16 H new ATOM 0 HA ALA A 111 -8.433 1.139 -1.291 1.00 0.18 H new ATOM 0 HB1 ALA A 111 -6.690 2.423 -0.102 1.00 0.20 H new ATOM 0 HB2 ALA A 111 -5.983 1.193 -1.177 1.00 0.20 H new ATOM 0 HB3 ALA A 111 -5.988 2.905 -1.665 1.00 0.20 H new ATOM 651 N SER A 112 -9.146 3.534 -0.506 1.00 0.21 N ATOM 652 CA SER A 112 -9.926 4.734 -0.275 1.00 0.23 C ATOM 653 C SER A 112 -9.025 5.912 0.105 1.00 0.21 C ATOM 654 O SER A 112 -9.049 6.953 -0.547 1.00 0.26 O ATOM 655 CB SER A 112 -10.967 4.472 0.814 1.00 0.29 C ATOM 656 OG SER A 112 -11.808 3.388 0.453 1.00 1.23 O ATOM 0 H SER A 112 -8.974 2.976 0.330 1.00 0.21 H new ATOM 0 HA SER A 112 -10.440 4.999 -1.199 1.00 0.23 H new ATOM 0 HB2 SER A 112 -10.467 4.252 1.757 1.00 0.29 H new ATOM 0 HB3 SER A 112 -11.568 5.368 0.973 1.00 0.29 H new ATOM 0 HG SER A 112 -12.466 3.234 1.163 1.00 1.23 H new ATOM 662 N HIS A 113 -8.232 5.750 1.161 1.00 0.16 N ATOM 663 CA HIS A 113 -7.339 6.817 1.619 1.00 0.16 C ATOM 664 C HIS A 113 -5.969 6.228 1.928 1.00 0.14 C ATOM 665 O HIS A 113 -5.844 5.008 2.037 1.00 0.15 O ATOM 666 CB HIS A 113 -7.888 7.527 2.871 1.00 0.21 C ATOM 667 CG HIS A 113 -9.382 7.662 2.910 1.00 0.44 C ATOM 668 ND1 HIS A 113 -10.152 7.096 3.900 1.00 1.47 N ATOM 669 CD2 HIS A 113 -10.249 8.267 2.064 1.00 0.75 C ATOM 670 CE1 HIS A 113 -11.425 7.340 3.660 1.00 1.47 C ATOM 671 NE2 HIS A 113 -11.514 8.047 2.550 1.00 0.73 N ATOM 0 H HIS A 113 -8.188 4.895 1.715 1.00 0.16 H new ATOM 0 HA HIS A 113 -7.264 7.558 0.823 1.00 0.16 H new ATOM 0 HB2 HIS A 113 -7.563 6.978 3.755 1.00 0.21 H new ATOM 0 HB3 HIS A 113 -7.445 8.521 2.932 1.00 0.21 H new ATOM 0 HD1 HIS A 113 -9.793 6.569 4.696 1.00 1.47 H new ATOM 0 HD2 HIS A 113 -9.993 8.820 1.172 1.00 0.75 H new ATOM 0 HE1 HIS A 113 -12.255 7.016 4.270 1.00 1.47 H new ATOM 680 N ILE A 114 -4.952 7.074 2.079 1.00 0.15 N ATOM 681 CA ILE A 114 -3.589 6.587 2.297 1.00 0.17 C ATOM 682 C ILE A 114 -3.508 5.688 3.542 1.00 0.16 C ATOM 683 O ILE A 114 -2.940 4.599 3.501 1.00 0.26 O ATOM 684 CB ILE A 114 -2.566 7.747 2.430 1.00 0.18 C ATOM 685 CG1 ILE A 114 -2.936 8.696 3.578 1.00 0.18 C ATOM 686 CG2 ILE A 114 -2.462 8.511 1.119 1.00 0.22 C ATOM 687 CD1 ILE A 114 -1.964 9.842 3.759 1.00 0.23 C ATOM 0 H ILE A 114 -5.042 8.090 2.055 1.00 0.15 H new ATOM 0 HA ILE A 114 -3.330 6.002 1.415 1.00 0.17 H new ATOM 0 HB ILE A 114 -1.595 7.311 2.663 1.00 0.18 H new ATOM 0 HG12 ILE A 114 -3.931 9.101 3.396 1.00 0.18 H new ATOM 0 HG13 ILE A 114 -2.989 8.126 4.506 1.00 0.18 H new ATOM 0 HG21 ILE A 114 -1.741 9.322 1.226 1.00 0.22 H new ATOM 0 HG22 ILE A 114 -2.133 7.835 0.329 1.00 0.22 H new ATOM 0 HG23 ILE A 114 -3.437 8.924 0.860 1.00 0.22 H new ATOM 0 HD11 ILE A 114 -2.291 10.469 4.588 1.00 0.23 H new ATOM 0 HD12 ILE A 114 -0.971 9.447 3.973 1.00 0.23 H new ATOM 0 HD13 ILE A 114 -1.929 10.437 2.846 1.00 0.23 H new ATOM 699 N SER A 115 -4.113 6.137 4.635 1.00 0.14 N ATOM 700 CA SER A 115 -4.045 5.427 5.907 1.00 0.20 C ATOM 701 C SER A 115 -4.918 4.167 5.928 1.00 0.18 C ATOM 702 O SER A 115 -4.872 3.401 6.891 1.00 0.27 O ATOM 703 CB SER A 115 -4.439 6.370 7.045 1.00 0.29 C ATOM 704 OG SER A 115 -4.402 5.719 8.304 1.00 1.50 O ATOM 0 H SER A 115 -4.661 6.997 4.666 1.00 0.14 H new ATOM 0 HA SER A 115 -3.015 5.095 6.042 1.00 0.20 H new ATOM 0 HB2 SER A 115 -3.764 7.226 7.058 1.00 0.29 H new ATOM 0 HB3 SER A 115 -5.442 6.758 6.865 1.00 0.29 H new ATOM 0 HG SER A 115 -4.471 4.750 8.173 1.00 1.50 H new ATOM 710 N GLU A 116 -5.703 3.939 4.879 1.00 0.14 N ATOM 711 CA GLU A 116 -6.497 2.712 4.798 1.00 0.13 C ATOM 712 C GLU A 116 -5.615 1.598 4.249 1.00 0.11 C ATOM 713 O GLU A 116 -6.014 0.429 4.179 1.00 0.15 O ATOM 714 CB GLU A 116 -7.723 2.882 3.895 1.00 0.20 C ATOM 715 CG GLU A 116 -8.424 4.225 4.023 1.00 0.36 C ATOM 716 CD GLU A 116 -8.756 4.623 5.447 1.00 0.47 C ATOM 717 OE1 GLU A 116 -9.101 3.746 6.260 1.00 0.53 O ATOM 718 OE2 GLU A 116 -8.705 5.837 5.745 1.00 0.80 O ATOM 0 H GLU A 116 -5.808 4.572 4.086 1.00 0.14 H new ATOM 0 HA GLU A 116 -6.856 2.468 5.798 1.00 0.13 H new ATOM 0 HB2 GLU A 116 -7.416 2.745 2.858 1.00 0.20 H new ATOM 0 HB3 GLU A 116 -8.438 2.091 4.123 1.00 0.20 H new ATOM 0 HG2 GLU A 116 -7.792 4.995 3.581 1.00 0.36 H new ATOM 0 HG3 GLU A 116 -9.346 4.197 3.442 1.00 0.36 H new ATOM 725 N ILE A 117 -4.417 2.007 3.848 1.00 0.11 N ATOM 726 CA ILE A 117 -3.399 1.115 3.329 1.00 0.12 C ATOM 727 C ILE A 117 -2.313 0.916 4.373 1.00 0.16 C ATOM 728 O ILE A 117 -1.675 1.879 4.798 1.00 0.26 O ATOM 729 CB ILE A 117 -2.747 1.715 2.068 1.00 0.12 C ATOM 730 CG1 ILE A 117 -3.811 2.040 1.023 1.00 0.12 C ATOM 731 CG2 ILE A 117 -1.698 0.769 1.496 1.00 0.16 C ATOM 732 CD1 ILE A 117 -3.300 2.902 -0.108 1.00 0.14 C ATOM 0 H ILE A 117 -4.126 2.984 3.877 1.00 0.11 H new ATOM 0 HA ILE A 117 -3.873 0.165 3.082 1.00 0.12 H new ATOM 0 HB ILE A 117 -2.245 2.641 2.349 1.00 0.12 H new ATOM 0 HG12 ILE A 117 -4.202 1.109 0.612 1.00 0.12 H new ATOM 0 HG13 ILE A 117 -4.644 2.548 1.509 1.00 0.12 H new ATOM 0 HG21 ILE A 117 -1.252 1.215 0.607 1.00 0.16 H new ATOM 0 HG22 ILE A 117 -0.922 0.592 2.241 1.00 0.16 H new ATOM 0 HG23 ILE A 117 -2.168 -0.178 1.230 1.00 0.16 H new ATOM 0 HD11 ILE A 117 -4.109 3.094 -0.813 1.00 0.14 H new ATOM 0 HD12 ILE A 117 -2.935 3.848 0.292 1.00 0.14 H new ATOM 0 HD13 ILE A 117 -2.487 2.387 -0.619 1.00 0.14 H new ATOM 744 N LYS A 118 -2.114 -0.313 4.802 1.00 0.20 N ATOM 745 CA LYS A 118 -1.042 -0.616 5.729 1.00 0.26 C ATOM 746 C LYS A 118 0.017 -1.453 5.022 1.00 0.17 C ATOM 747 O LYS A 118 -0.233 -2.592 4.656 1.00 0.19 O ATOM 748 CB LYS A 118 -1.601 -1.381 6.934 1.00 0.41 C ATOM 749 CG LYS A 118 -1.060 -0.943 8.295 1.00 0.53 C ATOM 750 CD LYS A 118 0.416 -1.271 8.484 1.00 0.35 C ATOM 751 CE LYS A 118 1.318 -0.148 7.999 1.00 0.71 C ATOM 752 NZ LYS A 118 1.049 1.128 8.712 1.00 1.01 N ATOM 0 H LYS A 118 -2.678 -1.116 4.525 1.00 0.20 H new ATOM 0 HA LYS A 118 -0.590 0.312 6.080 1.00 0.26 H new ATOM 0 HB2 LYS A 118 -2.686 -1.273 6.941 1.00 0.41 H new ATOM 0 HB3 LYS A 118 -1.387 -2.442 6.801 1.00 0.41 H new ATOM 0 HG2 LYS A 118 -1.205 0.131 8.408 1.00 0.53 H new ATOM 0 HG3 LYS A 118 -1.638 -1.428 9.082 1.00 0.53 H new ATOM 0 HD2 LYS A 118 0.612 -1.463 9.539 1.00 0.35 H new ATOM 0 HD3 LYS A 118 0.655 -2.187 7.944 1.00 0.35 H new ATOM 0 HE2 LYS A 118 2.360 -0.432 8.144 1.00 0.71 H new ATOM 0 HE3 LYS A 118 1.173 -0.003 6.928 1.00 0.71 H new ATOM 0 HZ1 LYS A 118 1.889 1.739 8.659 1.00 1.01 H new ATOM 0 HZ2 LYS A 118 0.242 1.610 8.268 1.00 1.01 H new ATOM 0 HZ3 LYS A 118 0.828 0.929 9.709 1.00 1.01 H new ATOM 766 N LEU A 119 1.195 -0.891 4.833 1.00 0.20 N ATOM 767 CA LEU A 119 2.293 -1.628 4.233 1.00 0.19 C ATOM 768 C LEU A 119 3.251 -2.105 5.314 1.00 0.17 C ATOM 769 O LEU A 119 3.638 -1.333 6.192 1.00 0.19 O ATOM 770 CB LEU A 119 3.029 -0.768 3.196 1.00 0.27 C ATOM 771 CG LEU A 119 2.335 -0.643 1.831 1.00 0.26 C ATOM 772 CD1 LEU A 119 3.093 0.315 0.924 1.00 0.69 C ATOM 773 CD2 LEU A 119 2.231 -2.002 1.170 1.00 0.73 C ATOM 0 H LEU A 119 1.417 0.072 5.085 1.00 0.20 H new ATOM 0 HA LEU A 119 1.886 -2.497 3.716 1.00 0.19 H new ATOM 0 HB2 LEU A 119 3.164 0.232 3.609 1.00 0.27 H new ATOM 0 HB3 LEU A 119 4.024 -1.187 3.042 1.00 0.27 H new ATOM 0 HG LEU A 119 1.333 -0.246 1.995 1.00 0.26 H new ATOM 0 HD11 LEU A 119 2.583 0.387 -0.036 1.00 0.69 H new ATOM 0 HD12 LEU A 119 3.134 1.300 1.388 1.00 0.69 H new ATOM 0 HD13 LEU A 119 4.106 -0.055 0.770 1.00 0.69 H new ATOM 0 HD21 LEU A 119 1.737 -1.900 0.204 1.00 0.73 H new ATOM 0 HD22 LEU A 119 3.230 -2.414 1.026 1.00 0.73 H new ATOM 0 HD23 LEU A 119 1.651 -2.672 1.805 1.00 0.73 H new ATOM 785 N LEU A 120 3.592 -3.382 5.277 1.00 0.16 N ATOM 786 CA LEU A 120 4.530 -3.950 6.230 1.00 0.15 C ATOM 787 C LEU A 120 5.631 -4.696 5.492 1.00 0.18 C ATOM 788 O LEU A 120 5.355 -5.497 4.596 1.00 0.23 O ATOM 789 CB LEU A 120 3.832 -4.906 7.211 1.00 0.17 C ATOM 790 CG LEU A 120 2.613 -4.341 7.952 1.00 0.18 C ATOM 791 CD1 LEU A 120 1.347 -4.530 7.130 1.00 0.21 C ATOM 792 CD2 LEU A 120 2.466 -4.994 9.317 1.00 0.22 C ATOM 0 H LEU A 120 3.231 -4.048 4.594 1.00 0.16 H new ATOM 0 HA LEU A 120 4.958 -3.128 6.803 1.00 0.15 H new ATOM 0 HB2 LEU A 120 3.518 -5.793 6.661 1.00 0.17 H new ATOM 0 HB3 LEU A 120 4.563 -5.232 7.951 1.00 0.17 H new ATOM 0 HG LEU A 120 2.769 -3.272 8.097 1.00 0.18 H new ATOM 0 HD11 LEU A 120 0.495 -4.122 7.675 1.00 0.21 H new ATOM 0 HD12 LEU A 120 1.451 -4.011 6.177 1.00 0.21 H new ATOM 0 HD13 LEU A 120 1.186 -5.593 6.948 1.00 0.21 H new ATOM 0 HD21 LEU A 120 1.596 -4.580 9.827 1.00 0.22 H new ATOM 0 HD22 LEU A 120 2.337 -6.069 9.194 1.00 0.22 H new ATOM 0 HD23 LEU A 120 3.360 -4.802 9.911 1.00 0.22 H new ATOM 804 N LEU A 121 6.871 -4.423 5.861 1.00 0.19 N ATOM 805 CA LEU A 121 8.012 -5.090 5.254 1.00 0.25 C ATOM 806 C LEU A 121 8.861 -5.740 6.343 1.00 0.33 C ATOM 807 O LEU A 121 9.474 -5.049 7.160 1.00 0.37 O ATOM 808 CB LEU A 121 8.831 -4.087 4.422 1.00 0.29 C ATOM 809 CG LEU A 121 9.960 -4.671 3.556 1.00 0.53 C ATOM 810 CD1 LEU A 121 11.271 -4.685 4.320 1.00 1.36 C ATOM 811 CD2 LEU A 121 9.614 -6.075 3.078 1.00 1.18 C ATOM 0 H LEU A 121 7.114 -3.742 6.580 1.00 0.19 H new ATOM 0 HA LEU A 121 7.665 -5.872 4.579 1.00 0.25 H new ATOM 0 HB2 LEU A 121 8.146 -3.546 3.769 1.00 0.29 H new ATOM 0 HB3 LEU A 121 9.267 -3.356 5.103 1.00 0.29 H new ATOM 0 HG LEU A 121 10.073 -4.030 2.681 1.00 0.53 H new ATOM 0 HD11 LEU A 121 12.056 -5.102 3.689 1.00 1.36 H new ATOM 0 HD12 LEU A 121 11.537 -3.667 4.605 1.00 1.36 H new ATOM 0 HD13 LEU A 121 11.163 -5.296 5.216 1.00 1.36 H new ATOM 0 HD21 LEU A 121 10.430 -6.463 2.468 1.00 1.18 H new ATOM 0 HD22 LEU A 121 9.463 -6.726 3.939 1.00 1.18 H new ATOM 0 HD23 LEU A 121 8.701 -6.042 2.484 1.00 1.18 H new ATOM 823 N LYS A 122 8.862 -7.073 6.355 1.00 0.43 N ATOM 824 CA LYS A 122 9.588 -7.854 7.360 1.00 0.54 C ATOM 825 C LYS A 122 9.066 -7.549 8.761 1.00 0.44 C ATOM 826 O LYS A 122 9.839 -7.414 9.712 1.00 0.52 O ATOM 827 CB LYS A 122 11.098 -7.592 7.282 1.00 0.71 C ATOM 828 CG LYS A 122 11.717 -7.981 5.948 1.00 1.20 C ATOM 829 CD LYS A 122 13.215 -7.712 5.922 1.00 1.39 C ATOM 830 CE LYS A 122 13.975 -8.636 6.862 1.00 2.05 C ATOM 831 NZ LYS A 122 13.867 -10.063 6.453 1.00 2.47 N ATOM 0 H LYS A 122 8.362 -7.641 5.671 1.00 0.43 H new ATOM 0 HA LYS A 122 9.417 -8.909 7.148 1.00 0.54 H new ATOM 0 HB2 LYS A 122 11.284 -6.534 7.464 1.00 0.71 H new ATOM 0 HB3 LYS A 122 11.596 -8.145 8.079 1.00 0.71 H new ATOM 0 HG2 LYS A 122 11.534 -9.038 5.757 1.00 1.20 H new ATOM 0 HG3 LYS A 122 11.233 -7.423 5.146 1.00 1.20 H new ATOM 0 HD2 LYS A 122 13.589 -7.840 4.906 1.00 1.39 H new ATOM 0 HD3 LYS A 122 13.402 -6.675 6.202 1.00 1.39 H new ATOM 0 HE2 LYS A 122 15.025 -8.345 6.886 1.00 2.05 H new ATOM 0 HE3 LYS A 122 13.589 -8.519 7.875 1.00 2.05 H new ATOM 0 HZ1 LYS A 122 14.588 -10.623 6.951 1.00 2.47 H new ATOM 0 HZ2 LYS A 122 12.922 -10.423 6.695 1.00 2.47 H new ATOM 0 HZ3 LYS A 122 14.016 -10.142 5.427 1.00 2.47 H new ATOM 845 N GLY A 123 7.747 -7.426 8.874 1.00 0.36 N ATOM 846 CA GLY A 123 7.126 -7.175 10.161 1.00 0.39 C ATOM 847 C GLY A 123 7.222 -5.723 10.588 1.00 0.35 C ATOM 848 O GLY A 123 6.807 -5.365 11.691 1.00 0.47 O ATOM 0 H GLY A 123 7.095 -7.496 8.093 1.00 0.36 H new ATOM 0 HA2 GLY A 123 6.077 -7.467 10.116 1.00 0.39 H new ATOM 0 HA3 GLY A 123 7.599 -7.803 10.916 1.00 0.39 H new ATOM 852 N LYS A 124 7.766 -4.883 9.719 1.00 0.26 N ATOM 853 CA LYS A 124 7.931 -3.472 10.032 1.00 0.29 C ATOM 854 C LYS A 124 6.749 -2.660 9.521 1.00 0.23 C ATOM 855 O LYS A 124 6.437 -2.681 8.329 1.00 0.21 O ATOM 856 CB LYS A 124 9.240 -2.941 9.438 1.00 0.37 C ATOM 857 CG LYS A 124 9.494 -1.461 9.705 1.00 0.46 C ATOM 858 CD LYS A 124 9.486 -1.140 11.194 1.00 0.53 C ATOM 859 CE LYS A 124 10.563 -1.906 11.944 1.00 1.36 C ATOM 860 NZ LYS A 124 10.545 -1.609 13.401 1.00 1.94 N ATOM 0 H LYS A 124 8.100 -5.154 8.794 1.00 0.26 H new ATOM 0 HA LYS A 124 7.972 -3.368 11.116 1.00 0.29 H new ATOM 0 HB2 LYS A 124 10.070 -3.519 9.843 1.00 0.37 H new ATOM 0 HB3 LYS A 124 9.231 -3.108 8.361 1.00 0.37 H new ATOM 0 HG2 LYS A 124 10.455 -1.175 9.278 1.00 0.46 H new ATOM 0 HG3 LYS A 124 8.732 -0.866 9.202 1.00 0.46 H new ATOM 0 HD2 LYS A 124 9.636 -0.070 11.336 1.00 0.53 H new ATOM 0 HD3 LYS A 124 8.509 -1.383 11.613 1.00 0.53 H new ATOM 0 HE2 LYS A 124 10.421 -2.976 11.790 1.00 1.36 H new ATOM 0 HE3 LYS A 124 11.541 -1.652 11.534 1.00 1.36 H new ATOM 0 HZ1 LYS A 124 11.295 -2.152 13.875 1.00 1.94 H new ATOM 0 HZ2 LYS A 124 10.706 -0.592 13.550 1.00 1.94 H new ATOM 0 HZ3 LYS A 124 9.621 -1.875 13.798 1.00 1.94 H new ATOM 874 N VAL A 125 6.090 -1.962 10.437 1.00 0.24 N ATOM 875 CA VAL A 125 4.982 -1.083 10.098 1.00 0.21 C ATOM 876 C VAL A 125 5.483 0.144 9.345 1.00 0.22 C ATOM 877 O VAL A 125 6.143 1.014 9.919 1.00 0.30 O ATOM 878 CB VAL A 125 4.229 -0.631 11.370 1.00 0.24 C ATOM 879 CG1 VAL A 125 3.175 0.419 11.047 1.00 0.26 C ATOM 880 CG2 VAL A 125 3.596 -1.826 12.062 1.00 0.27 C ATOM 0 H VAL A 125 6.309 -1.990 11.433 1.00 0.24 H new ATOM 0 HA VAL A 125 4.297 -1.642 9.460 1.00 0.21 H new ATOM 0 HB VAL A 125 4.954 -0.177 12.046 1.00 0.24 H new ATOM 0 HG11 VAL A 125 2.664 0.715 11.963 1.00 0.26 H new ATOM 0 HG12 VAL A 125 3.654 1.290 10.601 1.00 0.26 H new ATOM 0 HG13 VAL A 125 2.451 0.004 10.346 1.00 0.26 H new ATOM 0 HG21 VAL A 125 3.069 -1.492 12.956 1.00 0.27 H new ATOM 0 HG22 VAL A 125 2.891 -2.308 11.384 1.00 0.27 H new ATOM 0 HG23 VAL A 125 4.373 -2.537 12.343 1.00 0.27 H new ATOM 890 N LEU A 126 5.177 0.205 8.058 1.00 0.20 N ATOM 891 CA LEU A 126 5.554 1.347 7.245 1.00 0.22 C ATOM 892 C LEU A 126 4.504 2.436 7.389 1.00 0.24 C ATOM 893 O LEU A 126 3.302 2.173 7.301 1.00 0.31 O ATOM 894 CB LEU A 126 5.705 0.941 5.775 1.00 0.22 C ATOM 895 CG LEU A 126 6.569 -0.301 5.526 1.00 0.22 C ATOM 896 CD1 LEU A 126 6.806 -0.500 4.038 1.00 0.30 C ATOM 897 CD2 LEU A 126 7.889 -0.203 6.273 1.00 0.23 C ATOM 0 H LEU A 126 4.669 -0.523 7.556 1.00 0.20 H new ATOM 0 HA LEU A 126 6.517 1.725 7.589 1.00 0.22 H new ATOM 0 HB2 LEU A 126 4.713 0.763 5.360 1.00 0.22 H new ATOM 0 HB3 LEU A 126 6.134 1.779 5.226 1.00 0.22 H new ATOM 0 HG LEU A 126 6.031 -1.169 5.906 1.00 0.22 H new ATOM 0 HD11 LEU A 126 7.421 -1.386 3.883 1.00 0.30 H new ATOM 0 HD12 LEU A 126 5.850 -0.629 3.531 1.00 0.30 H new ATOM 0 HD13 LEU A 126 7.318 0.372 3.631 1.00 0.30 H new ATOM 0 HD21 LEU A 126 8.483 -1.096 6.080 1.00 0.23 H new ATOM 0 HD22 LEU A 126 8.435 0.677 5.933 1.00 0.23 H new ATOM 0 HD23 LEU A 126 7.696 -0.120 7.343 1.00 0.23 H new ATOM 909 N HIS A 127 4.957 3.655 7.626 1.00 0.24 N ATOM 910 CA HIS A 127 4.051 4.761 7.900 1.00 0.25 C ATOM 911 C HIS A 127 3.567 5.411 6.617 1.00 0.22 C ATOM 912 O HIS A 127 4.074 5.113 5.536 1.00 0.28 O ATOM 913 CB HIS A 127 4.713 5.810 8.796 1.00 0.28 C ATOM 914 CG HIS A 127 4.938 5.346 10.204 1.00 0.74 C ATOM 915 ND1 HIS A 127 4.351 5.946 11.296 1.00 1.35 N ATOM 916 CD2 HIS A 127 5.693 4.333 10.695 1.00 1.31 C ATOM 917 CE1 HIS A 127 4.732 5.323 12.396 1.00 1.67 C ATOM 918 NE2 HIS A 127 5.544 4.341 12.057 1.00 1.62 N ATOM 0 H HIS A 127 5.946 3.906 7.635 1.00 0.24 H new ATOM 0 HA HIS A 127 3.190 4.347 8.424 1.00 0.25 H new ATOM 0 HB2 HIS A 127 5.670 6.095 8.360 1.00 0.28 H new ATOM 0 HB3 HIS A 127 4.091 6.705 8.813 1.00 0.28 H new ATOM 0 HD2 HIS A 127 6.299 3.648 10.120 1.00 1.31 H new ATOM 0 HE1 HIS A 127 4.430 5.575 13.402 1.00 1.67 H new ATOM 0 HE2 HIS A 127 5.990 3.691 12.705 1.00 1.62 H new ATOM 927 N ASP A 128 2.587 6.294 6.747 1.00 0.24 N ATOM 928 CA ASP A 128 1.994 6.984 5.604 1.00 0.25 C ATOM 929 C ASP A 128 3.060 7.630 4.715 1.00 0.20 C ATOM 930 O ASP A 128 3.018 7.485 3.499 1.00 0.22 O ATOM 931 CB ASP A 128 0.974 8.035 6.072 1.00 0.32 C ATOM 932 CG ASP A 128 1.571 9.094 6.982 1.00 0.35 C ATOM 933 OD1 ASP A 128 2.012 8.744 8.094 1.00 0.45 O ATOM 934 OD2 ASP A 128 1.622 10.279 6.576 1.00 0.42 O ATOM 0 H ASP A 128 2.179 6.554 7.645 1.00 0.24 H new ATOM 0 HA ASP A 128 1.475 6.235 5.005 1.00 0.25 H new ATOM 0 HB2 ASP A 128 0.538 8.521 5.199 1.00 0.32 H new ATOM 0 HB3 ASP A 128 0.161 7.533 6.596 1.00 0.32 H new ATOM 939 N ASN A 129 4.032 8.304 5.321 1.00 0.19 N ATOM 940 CA ASN A 129 5.035 9.050 4.558 1.00 0.19 C ATOM 941 C ASN A 129 6.449 8.479 4.708 1.00 0.17 C ATOM 942 O ASN A 129 7.430 9.219 4.621 1.00 0.22 O ATOM 943 CB ASN A 129 5.025 10.531 4.958 1.00 0.28 C ATOM 944 CG ASN A 129 5.168 10.757 6.456 1.00 1.11 C ATOM 945 OD1 ASN A 129 5.737 9.938 7.179 1.00 1.91 O ATOM 946 ND2 ASN A 129 4.659 11.881 6.931 1.00 1.48 N ATOM 0 H ASN A 129 4.149 8.351 6.333 1.00 0.19 H new ATOM 0 HA ASN A 129 4.759 8.951 3.508 1.00 0.19 H new ATOM 0 HB2 ASN A 129 5.837 11.044 4.442 1.00 0.28 H new ATOM 0 HB3 ASN A 129 4.094 10.985 4.618 1.00 0.28 H new ATOM 0 HD21 ASN A 129 4.731 12.093 7.926 1.00 1.48 H new ATOM 0 HD22 ASN A 129 4.194 12.536 6.302 1.00 1.48 H new ATOM 953 N LEU A 130 6.563 7.175 4.932 1.00 0.15 N ATOM 954 CA LEU A 130 7.877 6.551 5.105 1.00 0.19 C ATOM 955 C LEU A 130 8.668 6.596 3.793 1.00 0.15 C ATOM 956 O LEU A 130 8.159 6.222 2.741 1.00 0.14 O ATOM 957 CB LEU A 130 7.723 5.102 5.583 1.00 0.25 C ATOM 958 CG LEU A 130 8.755 4.630 6.623 1.00 0.33 C ATOM 959 CD1 LEU A 130 10.178 4.790 6.117 1.00 0.33 C ATOM 960 CD2 LEU A 130 8.580 5.383 7.929 1.00 0.39 C ATOM 0 H LEU A 130 5.774 6.532 4.998 1.00 0.15 H new ATOM 0 HA LEU A 130 8.427 7.110 5.862 1.00 0.19 H new ATOM 0 HB2 LEU A 130 6.726 4.983 6.007 1.00 0.25 H new ATOM 0 HB3 LEU A 130 7.781 4.444 4.716 1.00 0.25 H new ATOM 0 HG LEU A 130 8.578 3.568 6.796 1.00 0.33 H new ATOM 0 HD11 LEU A 130 10.876 4.446 6.880 1.00 0.33 H new ATOM 0 HD12 LEU A 130 10.311 4.199 5.211 1.00 0.33 H new ATOM 0 HD13 LEU A 130 10.370 5.840 5.897 1.00 0.33 H new ATOM 0 HD21 LEU A 130 9.319 5.035 8.651 1.00 0.39 H new ATOM 0 HD22 LEU A 130 8.717 6.450 7.755 1.00 0.39 H new ATOM 0 HD23 LEU A 130 7.578 5.205 8.320 1.00 0.39 H new ATOM 972 N PHE A 131 9.903 7.077 3.864 1.00 0.19 N ATOM 973 CA PHE A 131 10.788 7.110 2.704 1.00 0.19 C ATOM 974 C PHE A 131 11.323 5.717 2.392 1.00 0.19 C ATOM 975 O PHE A 131 11.699 4.969 3.296 1.00 0.21 O ATOM 976 CB PHE A 131 11.968 8.051 2.961 1.00 0.22 C ATOM 977 CG PHE A 131 11.633 9.511 2.862 1.00 0.28 C ATOM 978 CD1 PHE A 131 11.112 10.195 3.948 1.00 0.38 C ATOM 979 CD2 PHE A 131 11.858 10.203 1.683 1.00 0.35 C ATOM 980 CE1 PHE A 131 10.821 11.543 3.859 1.00 0.47 C ATOM 981 CE2 PHE A 131 11.567 11.550 1.587 1.00 0.44 C ATOM 982 CZ PHE A 131 11.049 12.221 2.676 1.00 0.47 C ATOM 0 H PHE A 131 10.317 7.452 4.717 1.00 0.19 H new ATOM 0 HA PHE A 131 10.210 7.471 1.853 1.00 0.19 H new ATOM 0 HB2 PHE A 131 12.367 7.849 3.955 1.00 0.22 H new ATOM 0 HB3 PHE A 131 12.760 7.824 2.247 1.00 0.22 H new ATOM 0 HD1 PHE A 131 10.931 9.669 4.874 1.00 0.38 H new ATOM 0 HD2 PHE A 131 12.266 9.683 0.829 1.00 0.35 H new ATOM 0 HE1 PHE A 131 10.416 12.066 4.713 1.00 0.47 H new ATOM 0 HE2 PHE A 131 11.745 12.077 0.661 1.00 0.44 H new ATOM 0 HZ PHE A 131 10.822 13.274 2.604 1.00 0.47 H new ATOM 992 N LEU A 132 11.377 5.380 1.105 1.00 0.19 N ATOM 993 CA LEU A 132 11.897 4.084 0.673 1.00 0.21 C ATOM 994 C LEU A 132 13.389 3.974 0.955 1.00 0.23 C ATOM 995 O LEU A 132 13.951 2.883 0.929 1.00 0.26 O ATOM 996 CB LEU A 132 11.630 3.834 -0.819 1.00 0.23 C ATOM 997 CG LEU A 132 10.258 3.237 -1.158 1.00 0.21 C ATOM 998 CD1 LEU A 132 9.130 4.164 -0.732 1.00 0.16 C ATOM 999 CD2 LEU A 132 10.167 2.937 -2.647 1.00 0.28 C ATOM 0 H LEU A 132 11.068 5.985 0.344 1.00 0.19 H new ATOM 0 HA LEU A 132 11.370 3.322 1.247 1.00 0.21 H new ATOM 0 HB2 LEU A 132 11.736 4.779 -1.352 1.00 0.23 H new ATOM 0 HB3 LEU A 132 12.401 3.165 -1.200 1.00 0.23 H new ATOM 0 HG LEU A 132 10.150 2.305 -0.603 1.00 0.21 H new ATOM 0 HD11 LEU A 132 8.172 3.712 -0.986 1.00 0.16 H new ATOM 0 HD12 LEU A 132 9.180 4.327 0.345 1.00 0.16 H new ATOM 0 HD13 LEU A 132 9.229 5.119 -1.248 1.00 0.16 H new ATOM 0 HD21 LEU A 132 9.188 2.514 -2.874 1.00 0.28 H new ATOM 0 HD22 LEU A 132 10.304 3.859 -3.213 1.00 0.28 H new ATOM 0 HD23 LEU A 132 10.944 2.223 -2.923 1.00 0.28 H new ATOM 1011 N SER A 133 14.021 5.109 1.221 1.00 0.24 N ATOM 1012 CA SER A 133 15.436 5.148 1.552 1.00 0.28 C ATOM 1013 C SER A 133 15.699 4.501 2.909 1.00 0.32 C ATOM 1014 O SER A 133 16.790 3.993 3.168 1.00 0.39 O ATOM 1015 CB SER A 133 15.921 6.597 1.536 1.00 0.33 C ATOM 1016 OG SER A 133 14.958 7.460 2.123 1.00 1.25 O ATOM 0 H SER A 133 13.569 6.023 1.213 1.00 0.24 H new ATOM 0 HA SER A 133 15.990 4.578 0.806 1.00 0.28 H new ATOM 0 HB2 SER A 133 16.864 6.675 2.078 1.00 0.33 H new ATOM 0 HB3 SER A 133 16.116 6.908 0.510 1.00 0.33 H new ATOM 0 HG SER A 133 15.290 8.382 2.104 1.00 1.25 H new ATOM 1022 N ASP A 134 14.689 4.518 3.770 1.00 0.32 N ATOM 1023 CA ASP A 134 14.781 3.874 5.075 1.00 0.38 C ATOM 1024 C ASP A 134 14.321 2.433 4.977 1.00 0.39 C ATOM 1025 O ASP A 134 14.611 1.606 5.844 1.00 0.49 O ATOM 1026 CB ASP A 134 13.930 4.614 6.106 1.00 0.40 C ATOM 1027 CG ASP A 134 14.490 5.971 6.461 1.00 1.12 C ATOM 1028 OD1 ASP A 134 14.134 6.961 5.793 1.00 1.93 O ATOM 1029 OD2 ASP A 134 15.283 6.055 7.423 1.00 1.33 O ATOM 0 H ASP A 134 13.794 4.972 3.588 1.00 0.32 H new ATOM 0 HA ASP A 134 15.822 3.902 5.396 1.00 0.38 H new ATOM 0 HB2 ASP A 134 12.919 4.734 5.717 1.00 0.40 H new ATOM 0 HB3 ASP A 134 13.855 4.009 7.010 1.00 0.40 H new ATOM 1034 N LEU A 135 13.594 2.143 3.911 1.00 0.34 N ATOM 1035 CA LEU A 135 13.045 0.817 3.695 1.00 0.36 C ATOM 1036 C LEU A 135 14.051 -0.058 2.963 1.00 0.39 C ATOM 1037 O LEU A 135 14.395 -1.141 3.435 1.00 0.42 O ATOM 1038 CB LEU A 135 11.761 0.908 2.878 1.00 0.34 C ATOM 1039 CG LEU A 135 10.733 1.907 3.399 1.00 0.30 C ATOM 1040 CD1 LEU A 135 9.472 1.843 2.566 1.00 0.32 C ATOM 1041 CD2 LEU A 135 10.419 1.648 4.862 1.00 0.34 C ATOM 0 H LEU A 135 13.370 2.815 3.177 1.00 0.34 H new ATOM 0 HA LEU A 135 12.824 0.372 4.665 1.00 0.36 H new ATOM 0 HB2 LEU A 135 12.019 1.176 1.853 1.00 0.34 H new ATOM 0 HB3 LEU A 135 11.300 -0.079 2.843 1.00 0.34 H new ATOM 0 HG LEU A 135 11.156 2.908 3.317 1.00 0.30 H new ATOM 0 HD11 LEU A 135 8.746 2.561 2.948 1.00 0.32 H new ATOM 0 HD12 LEU A 135 9.708 2.083 1.529 1.00 0.32 H new ATOM 0 HD13 LEU A 135 9.051 0.839 2.619 1.00 0.32 H new ATOM 0 HD21 LEU A 135 9.684 2.373 5.210 1.00 0.34 H new ATOM 0 HD22 LEU A 135 10.017 0.641 4.975 1.00 0.34 H new ATOM 0 HD23 LEU A 135 11.330 1.744 5.452 1.00 0.34 H new ATOM 1053 N LYS A 136 14.524 0.439 1.823 1.00 0.39 N ATOM 1054 CA LYS A 136 15.460 -0.285 0.973 1.00 0.42 C ATOM 1055 C LYS A 136 14.910 -1.656 0.603 1.00 0.41 C ATOM 1056 O LYS A 136 15.428 -2.690 1.031 1.00 0.47 O ATOM 1057 CB LYS A 136 16.829 -0.409 1.649 1.00 0.47 C ATOM 1058 CG LYS A 136 17.506 0.933 1.884 1.00 1.24 C ATOM 1059 CD LYS A 136 18.921 0.775 2.416 1.00 1.64 C ATOM 1060 CE LYS A 136 18.945 0.141 3.796 1.00 2.49 C ATOM 1061 NZ LYS A 136 20.323 0.071 4.346 1.00 2.87 N ATOM 0 H LYS A 136 14.267 1.358 1.463 1.00 0.39 H new ATOM 0 HA LYS A 136 15.589 0.285 0.053 1.00 0.42 H new ATOM 0 HB2 LYS A 136 16.710 -0.921 2.604 1.00 0.47 H new ATOM 0 HB3 LYS A 136 17.476 -1.032 1.032 1.00 0.47 H new ATOM 0 HG2 LYS A 136 17.531 1.494 0.950 1.00 1.24 H new ATOM 0 HG3 LYS A 136 16.917 1.517 2.591 1.00 1.24 H new ATOM 0 HD2 LYS A 136 19.501 0.162 1.726 1.00 1.64 H new ATOM 0 HD3 LYS A 136 19.403 1.752 2.458 1.00 1.64 H new ATOM 0 HE2 LYS A 136 18.313 0.717 4.472 1.00 2.49 H new ATOM 0 HE3 LYS A 136 18.523 -0.863 3.742 1.00 2.49 H new ATOM 0 HZ1 LYS A 136 20.299 -0.368 5.289 1.00 2.87 H new ATOM 0 HZ2 LYS A 136 20.920 -0.499 3.714 1.00 2.87 H new ATOM 0 HZ3 LYS A 136 20.716 1.031 4.421 1.00 2.87 H new ATOM 1075 N VAL A 137 13.840 -1.650 -0.184 1.00 0.37 N ATOM 1076 CA VAL A 137 13.230 -2.885 -0.642 1.00 0.38 C ATOM 1077 C VAL A 137 14.101 -3.527 -1.713 1.00 0.43 C ATOM 1078 O VAL A 137 14.104 -3.105 -2.871 1.00 0.48 O ATOM 1079 CB VAL A 137 11.815 -2.638 -1.208 1.00 0.38 C ATOM 1080 CG1 VAL A 137 11.146 -3.949 -1.586 1.00 0.45 C ATOM 1081 CG2 VAL A 137 10.967 -1.868 -0.208 1.00 0.47 C ATOM 0 H VAL A 137 13.380 -0.802 -0.516 1.00 0.37 H new ATOM 0 HA VAL A 137 13.144 -3.554 0.214 1.00 0.38 H new ATOM 0 HB VAL A 137 11.910 -2.036 -2.112 1.00 0.38 H new ATOM 0 HG11 VAL A 137 10.151 -3.749 -1.982 1.00 0.45 H new ATOM 0 HG12 VAL A 137 11.743 -4.457 -2.344 1.00 0.45 H new ATOM 0 HG13 VAL A 137 11.064 -4.584 -0.703 1.00 0.45 H new ATOM 0 HG21 VAL A 137 9.973 -1.703 -0.624 1.00 0.47 H new ATOM 0 HG22 VAL A 137 10.883 -2.441 0.715 1.00 0.47 H new ATOM 0 HG23 VAL A 137 11.436 -0.907 0.003 1.00 0.47 H new ATOM 1091 N THR A 138 14.850 -4.536 -1.311 1.00 0.50 N ATOM 1092 CA THR A 138 15.731 -5.252 -2.214 1.00 0.60 C ATOM 1093 C THR A 138 15.005 -6.449 -2.825 1.00 0.55 C ATOM 1094 O THR A 138 13.944 -6.823 -2.332 1.00 0.51 O ATOM 1095 CB THR A 138 16.988 -5.725 -1.463 1.00 0.73 C ATOM 1096 OG1 THR A 138 16.607 -6.426 -0.271 1.00 0.72 O ATOM 1097 CG2 THR A 138 17.875 -4.546 -1.098 1.00 0.88 C ATOM 0 H THR A 138 14.865 -4.882 -0.352 1.00 0.50 H new ATOM 0 HA THR A 138 16.031 -4.578 -3.016 1.00 0.60 H new ATOM 0 HB THR A 138 17.548 -6.392 -2.118 1.00 0.73 H new ATOM 0 HG1 THR A 138 17.411 -6.727 0.203 1.00 0.72 H new ATOM 0 HG21 THR A 138 18.757 -4.905 -0.568 1.00 0.88 H new ATOM 0 HG22 THR A 138 18.183 -4.028 -2.006 1.00 0.88 H new ATOM 0 HG23 THR A 138 17.322 -3.859 -0.458 1.00 0.88 H new ATOM 1105 N PRO A 139 15.535 -7.053 -3.907 1.00 0.63 N ATOM 1106 CA PRO A 139 14.904 -8.211 -4.563 1.00 0.67 C ATOM 1107 C PRO A 139 14.467 -9.302 -3.578 1.00 0.63 C ATOM 1108 O PRO A 139 13.355 -9.829 -3.675 1.00 0.74 O ATOM 1109 CB PRO A 139 16.004 -8.727 -5.487 1.00 0.86 C ATOM 1110 CG PRO A 139 16.792 -7.512 -5.833 1.00 0.93 C ATOM 1111 CD PRO A 139 16.777 -6.647 -4.601 1.00 0.77 C ATOM 0 HA PRO A 139 13.984 -7.931 -5.076 1.00 0.67 H new ATOM 0 HB2 PRO A 139 16.623 -9.475 -4.991 1.00 0.86 H new ATOM 0 HB3 PRO A 139 15.587 -9.198 -6.377 1.00 0.86 H new ATOM 0 HG2 PRO A 139 17.812 -7.775 -6.114 1.00 0.93 H new ATOM 0 HG3 PRO A 139 16.352 -6.990 -6.683 1.00 0.93 H new ATOM 0 HD2 PRO A 139 17.657 -6.817 -3.981 1.00 0.77 H new ATOM 0 HD3 PRO A 139 16.766 -5.587 -4.855 1.00 0.77 H new ATOM 1119 N ALA A 140 15.328 -9.614 -2.616 1.00 0.64 N ATOM 1120 CA ALA A 140 15.039 -10.658 -1.640 1.00 0.72 C ATOM 1121 C ALA A 140 13.979 -10.212 -0.633 1.00 0.64 C ATOM 1122 O ALA A 140 13.348 -11.042 0.022 1.00 0.77 O ATOM 1123 CB ALA A 140 16.311 -11.072 -0.919 1.00 0.89 C ATOM 0 H ALA A 140 16.232 -9.159 -2.491 1.00 0.64 H new ATOM 0 HA ALA A 140 14.640 -11.516 -2.181 1.00 0.72 H new ATOM 0 HB1 ALA A 140 16.080 -11.852 -0.193 1.00 0.89 H new ATOM 0 HB2 ALA A 140 17.032 -11.451 -1.643 1.00 0.89 H new ATOM 0 HB3 ALA A 140 16.734 -10.210 -0.403 1.00 0.89 H new ATOM 1129 N ASN A 141 13.780 -8.905 -0.519 1.00 0.54 N ATOM 1130 CA ASN A 141 12.813 -8.348 0.427 1.00 0.54 C ATOM 1131 C ASN A 141 11.720 -7.576 -0.300 1.00 0.42 C ATOM 1132 O ASN A 141 11.176 -6.613 0.231 1.00 0.42 O ATOM 1133 CB ASN A 141 13.505 -7.416 1.432 1.00 0.69 C ATOM 1134 CG ASN A 141 14.334 -8.160 2.457 1.00 0.82 C ATOM 1135 OD1 ASN A 141 14.034 -9.304 2.804 1.00 1.10 O ATOM 1136 ND2 ASN A 141 15.376 -7.516 2.963 1.00 1.02 N ATOM 0 H ASN A 141 14.276 -8.206 -1.071 1.00 0.54 H new ATOM 0 HA ASN A 141 12.364 -9.184 0.962 1.00 0.54 H new ATOM 0 HB2 ASN A 141 14.146 -6.720 0.891 1.00 0.69 H new ATOM 0 HB3 ASN A 141 12.750 -6.821 1.946 1.00 0.69 H new ATOM 0 HD21 ASN A 141 15.962 -7.967 3.666 1.00 1.02 H new ATOM 0 HD22 ASN A 141 15.592 -6.570 2.650 1.00 1.02 H new ATOM 1143 N SER A 142 11.396 -8.002 -1.513 1.00 0.36 N ATOM 1144 CA SER A 142 10.420 -7.288 -2.326 1.00 0.31 C ATOM 1145 C SER A 142 8.992 -7.719 -1.999 1.00 0.26 C ATOM 1146 O SER A 142 8.034 -7.161 -2.535 1.00 0.26 O ATOM 1147 CB SER A 142 10.703 -7.510 -3.808 1.00 0.37 C ATOM 1148 OG SER A 142 12.019 -7.109 -4.141 1.00 1.23 O ATOM 0 H SER A 142 11.791 -8.833 -1.954 1.00 0.36 H new ATOM 0 HA SER A 142 10.512 -6.227 -2.095 1.00 0.31 H new ATOM 0 HB2 SER A 142 10.567 -8.563 -4.054 1.00 0.37 H new ATOM 0 HB3 SER A 142 9.986 -6.948 -4.407 1.00 0.37 H new ATOM 0 HG SER A 142 12.488 -6.820 -3.330 1.00 1.23 H new ATOM 1154 N THR A 143 8.847 -8.708 -1.129 1.00 0.30 N ATOM 1155 CA THR A 143 7.526 -9.171 -0.733 1.00 0.31 C ATOM 1156 C THR A 143 6.967 -8.283 0.372 1.00 0.25 C ATOM 1157 O THR A 143 7.409 -8.344 1.520 1.00 0.34 O ATOM 1158 CB THR A 143 7.557 -10.631 -0.250 1.00 0.41 C ATOM 1159 OG1 THR A 143 8.260 -11.443 -1.203 1.00 0.48 O ATOM 1160 CG2 THR A 143 6.142 -11.165 -0.069 1.00 0.45 C ATOM 0 H THR A 143 9.622 -9.202 -0.687 1.00 0.30 H new ATOM 0 HA THR A 143 6.883 -9.116 -1.611 1.00 0.31 H new ATOM 0 HB THR A 143 8.071 -10.668 0.711 1.00 0.41 H new ATOM 0 HG1 THR A 143 8.279 -12.372 -0.891 1.00 0.48 H new ATOM 0 HG21 THR A 143 6.184 -12.199 0.273 1.00 0.45 H new ATOM 0 HG22 THR A 143 5.616 -10.560 0.670 1.00 0.45 H new ATOM 0 HG23 THR A 143 5.611 -11.119 -1.020 1.00 0.45 H new ATOM 1168 N ILE A 144 6.003 -7.452 0.015 1.00 0.20 N ATOM 1169 CA ILE A 144 5.422 -6.510 0.952 1.00 0.18 C ATOM 1170 C ILE A 144 4.028 -6.967 1.356 1.00 0.18 C ATOM 1171 O ILE A 144 3.242 -7.403 0.515 1.00 0.24 O ATOM 1172 CB ILE A 144 5.311 -5.097 0.338 1.00 0.21 C ATOM 1173 CG1 ILE A 144 6.558 -4.739 -0.480 1.00 0.22 C ATOM 1174 CG2 ILE A 144 5.091 -4.063 1.434 1.00 0.27 C ATOM 1175 CD1 ILE A 144 7.837 -4.685 0.325 1.00 0.25 C ATOM 0 H ILE A 144 5.605 -7.412 -0.923 1.00 0.20 H new ATOM 0 HA ILE A 144 6.078 -6.471 1.821 1.00 0.18 H new ATOM 0 HB ILE A 144 4.455 -5.094 -0.337 1.00 0.21 H new ATOM 0 HG12 ILE A 144 6.676 -5.471 -1.279 1.00 0.22 H new ATOM 0 HG13 ILE A 144 6.401 -3.771 -0.955 1.00 0.22 H new ATOM 0 HG21 ILE A 144 5.014 -3.071 0.988 1.00 0.27 H new ATOM 0 HG22 ILE A 144 4.170 -4.292 1.971 1.00 0.27 H new ATOM 0 HG23 ILE A 144 5.931 -4.085 2.129 1.00 0.27 H new ATOM 0 HD11 ILE A 144 8.669 -4.425 -0.330 1.00 0.25 H new ATOM 0 HD12 ILE A 144 7.743 -3.932 1.108 1.00 0.25 H new ATOM 0 HD13 ILE A 144 8.023 -5.659 0.779 1.00 0.25 H new ATOM 1187 N THR A 145 3.725 -6.878 2.637 1.00 0.14 N ATOM 1188 CA THR A 145 2.389 -7.175 3.115 1.00 0.14 C ATOM 1189 C THR A 145 1.545 -5.911 3.075 1.00 0.14 C ATOM 1190 O THR A 145 1.834 -4.947 3.785 1.00 0.19 O ATOM 1191 CB THR A 145 2.419 -7.714 4.557 1.00 0.17 C ATOM 1192 OG1 THR A 145 3.390 -8.762 4.665 1.00 0.21 O ATOM 1193 CG2 THR A 145 1.050 -8.241 4.965 1.00 0.19 C ATOM 0 H THR A 145 4.385 -6.603 3.364 1.00 0.14 H new ATOM 0 HA THR A 145 1.959 -7.940 2.468 1.00 0.14 H new ATOM 0 HB THR A 145 2.690 -6.896 5.224 1.00 0.17 H new ATOM 0 HG1 THR A 145 3.406 -9.100 5.585 1.00 0.21 H new ATOM 0 HG21 THR A 145 1.095 -8.617 5.987 1.00 0.19 H new ATOM 0 HG22 THR A 145 0.318 -7.436 4.906 1.00 0.19 H new ATOM 0 HG23 THR A 145 0.756 -9.048 4.294 1.00 0.19 H new ATOM 1201 N VAL A 146 0.525 -5.889 2.231 1.00 0.14 N ATOM 1202 CA VAL A 146 -0.327 -4.721 2.149 1.00 0.15 C ATOM 1203 C VAL A 146 -1.732 -5.029 2.665 1.00 0.15 C ATOM 1204 O VAL A 146 -2.473 -5.848 2.112 1.00 0.19 O ATOM 1205 CB VAL A 146 -0.368 -4.113 0.722 1.00 0.15 C ATOM 1206 CG1 VAL A 146 -1.040 -5.031 -0.279 1.00 0.16 C ATOM 1207 CG2 VAL A 146 -1.045 -2.756 0.743 1.00 0.20 C ATOM 0 H VAL A 146 0.273 -6.654 1.605 1.00 0.14 H new ATOM 0 HA VAL A 146 0.113 -3.962 2.796 1.00 0.15 H new ATOM 0 HB VAL A 146 0.665 -3.990 0.396 1.00 0.15 H new ATOM 0 HG11 VAL A 146 -1.043 -4.559 -1.261 1.00 0.16 H new ATOM 0 HG12 VAL A 146 -0.495 -5.974 -0.331 1.00 0.16 H new ATOM 0 HG13 VAL A 146 -2.066 -5.222 0.034 1.00 0.16 H new ATOM 0 HG21 VAL A 146 -1.065 -2.344 -0.266 1.00 0.20 H new ATOM 0 HG22 VAL A 146 -2.065 -2.864 1.111 1.00 0.20 H new ATOM 0 HG23 VAL A 146 -0.492 -2.084 1.399 1.00 0.20 H new ATOM 1217 N MET A 147 -2.070 -4.391 3.766 1.00 0.17 N ATOM 1218 CA MET A 147 -3.372 -4.540 4.375 1.00 0.18 C ATOM 1219 C MET A 147 -4.225 -3.331 4.029 1.00 0.15 C ATOM 1220 O MET A 147 -4.071 -2.265 4.621 1.00 0.19 O ATOM 1221 CB MET A 147 -3.223 -4.658 5.897 1.00 0.24 C ATOM 1222 CG MET A 147 -2.309 -5.791 6.338 1.00 0.26 C ATOM 1223 SD MET A 147 -1.977 -5.774 8.113 1.00 0.95 S ATOM 1224 CE MET A 147 -3.631 -5.961 8.775 1.00 1.62 C ATOM 0 H MET A 147 -1.448 -3.754 4.263 1.00 0.17 H new ATOM 0 HA MET A 147 -3.852 -5.443 3.998 1.00 0.18 H new ATOM 0 HB2 MET A 147 -2.836 -3.718 6.289 1.00 0.24 H new ATOM 0 HB3 MET A 147 -4.208 -4.806 6.339 1.00 0.24 H new ATOM 0 HG2 MET A 147 -2.763 -6.744 6.067 1.00 0.26 H new ATOM 0 HG3 MET A 147 -1.366 -5.722 5.796 1.00 0.26 H new ATOM 0 HE1 MET A 147 -3.603 -6.618 9.644 1.00 1.62 H new ATOM 0 HE2 MET A 147 -4.017 -4.985 9.070 1.00 1.62 H new ATOM 0 HE3 MET A 147 -4.281 -6.394 8.014 1.00 1.62 H new ATOM 1234 N ILE A 148 -5.110 -3.492 3.061 1.00 0.12 N ATOM 1235 CA ILE A 148 -5.996 -2.411 2.660 1.00 0.09 C ATOM 1236 C ILE A 148 -7.434 -2.816 2.860 1.00 0.10 C ATOM 1237 O ILE A 148 -7.832 -3.909 2.454 1.00 0.14 O ATOM 1238 CB ILE A 148 -5.845 -2.021 1.181 1.00 0.11 C ATOM 1239 CG1 ILE A 148 -4.384 -1.787 0.820 1.00 0.12 C ATOM 1240 CG2 ILE A 148 -6.672 -0.778 0.905 1.00 0.19 C ATOM 1241 CD1 ILE A 148 -4.165 -1.489 -0.648 1.00 0.14 C ATOM 0 H ILE A 148 -5.235 -4.359 2.538 1.00 0.12 H new ATOM 0 HA ILE A 148 -5.719 -1.560 3.282 1.00 0.09 H new ATOM 0 HB ILE A 148 -6.206 -2.841 0.561 1.00 0.11 H new ATOM 0 HG12 ILE A 148 -4.000 -0.956 1.412 1.00 0.12 H new ATOM 0 HG13 ILE A 148 -3.805 -2.669 1.094 1.00 0.12 H new ATOM 0 HG21 ILE A 148 -6.568 -0.497 -0.143 1.00 0.19 H new ATOM 0 HG22 ILE A 148 -7.720 -0.982 1.124 1.00 0.19 H new ATOM 0 HG23 ILE A 148 -6.322 0.039 1.536 1.00 0.19 H new ATOM 0 HD11 ILE A 148 -3.102 -1.333 -0.833 1.00 0.14 H new ATOM 0 HD12 ILE A 148 -4.518 -2.329 -1.246 1.00 0.14 H new ATOM 0 HD13 ILE A 148 -4.717 -0.590 -0.923 1.00 0.14 H new ATOM 1253 N LYS A 149 -8.214 -1.942 3.464 1.00 0.12 N ATOM 1254 CA LYS A 149 -9.637 -2.193 3.615 1.00 0.16 C ATOM 1255 C LYS A 149 -10.417 -1.016 3.042 1.00 0.22 C ATOM 1256 O LYS A 149 -10.760 -0.074 3.757 1.00 0.34 O ATOM 1257 CB LYS A 149 -9.988 -2.417 5.088 1.00 0.22 C ATOM 1258 CG LYS A 149 -8.981 -3.297 5.824 1.00 0.35 C ATOM 1259 CD LYS A 149 -8.833 -4.688 5.223 1.00 0.66 C ATOM 1260 CE LYS A 149 -10.143 -5.425 5.204 1.00 0.76 C ATOM 1261 NZ LYS A 149 -10.558 -5.874 6.559 1.00 1.18 N ATOM 0 H LYS A 149 -7.892 -1.057 3.856 1.00 0.12 H new ATOM 0 HA LYS A 149 -9.907 -3.097 3.069 1.00 0.16 H new ATOM 0 HB2 LYS A 149 -10.051 -1.451 5.590 1.00 0.22 H new ATOM 0 HB3 LYS A 149 -10.975 -2.875 5.153 1.00 0.22 H new ATOM 0 HG2 LYS A 149 -8.009 -2.804 5.820 1.00 0.35 H new ATOM 0 HG3 LYS A 149 -9.287 -3.391 6.866 1.00 0.35 H new ATOM 0 HD2 LYS A 149 -8.446 -4.607 4.207 1.00 0.66 H new ATOM 0 HD3 LYS A 149 -8.103 -5.258 5.798 1.00 0.66 H new ATOM 0 HE2 LYS A 149 -10.915 -4.779 4.786 1.00 0.76 H new ATOM 0 HE3 LYS A 149 -10.061 -6.290 4.546 1.00 0.76 H new ATOM 0 HZ1 LYS A 149 -11.466 -6.377 6.495 1.00 1.18 H new ATOM 0 HZ2 LYS A 149 -9.836 -6.512 6.950 1.00 1.18 H new ATOM 0 HZ3 LYS A 149 -10.663 -5.048 7.182 1.00 1.18 H new ATOM 1275 N PRO A 150 -10.687 -1.050 1.729 1.00 0.23 N ATOM 1276 CA PRO A 150 -11.386 0.018 1.033 1.00 0.30 C ATOM 1277 C PRO A 150 -12.888 -0.111 1.183 1.00 0.45 C ATOM 1278 O PRO A 150 -13.386 -1.158 1.608 1.00 0.78 O ATOM 1279 CB PRO A 150 -10.986 -0.170 -0.437 1.00 0.47 C ATOM 1280 CG PRO A 150 -10.156 -1.417 -0.495 1.00 0.44 C ATOM 1281 CD PRO A 150 -10.352 -2.137 0.811 1.00 0.29 C ATOM 0 HA PRO A 150 -11.125 1.000 1.429 1.00 0.30 H new ATOM 0 HB2 PRO A 150 -11.868 -0.261 -1.071 1.00 0.47 H new ATOM 0 HB3 PRO A 150 -10.421 0.689 -0.799 1.00 0.47 H new ATOM 0 HG2 PRO A 150 -10.462 -2.045 -1.331 1.00 0.44 H new ATOM 0 HG3 PRO A 150 -9.104 -1.174 -0.647 1.00 0.44 H new ATOM 0 HD2 PRO A 150 -11.151 -2.876 0.750 1.00 0.29 H new ATOM 0 HD3 PRO A 150 -9.451 -2.666 1.121 1.00 0.29 H new