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 138 THR OG1 : rot -156:sc= 0.973 USER MOD Set 1.2: A 141 ASN : amide:sc= 1.1 K(o=2.1,f=0.2) USER MOD Single : A 77 THR OG1 : rot -85:sc= 0.543 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -123:sc= -0.238 (180deg=-0.554) USER MOD Single : A 82 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.12) USER MOD Single : A 85 LYS NZ :NH3+ 157:sc= 1.29 (180deg=0.832) USER MOD Single : A 87 SER OG : rot 43:sc= 0.0777 USER MOD Single : A 90 HIS : no HE2:sc= -8.3! C(o=-8.3!,f=-12!) 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 97 THR OG1 : rot 180:sc= -3.13! USER MOD Single : A 100 GLN : amide:sc= -0.289 K(o=-0.29,f=-1.2) USER MOD Single : A 102 LYS NZ :NH3+ -136:sc= -0.0745 (180deg=-0.812) USER MOD Single : A 103 GLN : amide:sc= -0.465 X(o=-0.46,f=0) USER MOD Single : A 104 HIS : no HE2:sc= 1.15 K(o=1.2,f=-4.9!) USER MOD Single : A 107 SER OG : rot -12:sc= 0.779 USER MOD Single : A 110 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.12) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0.0545 USER MOD Single : A 118 LYS NZ :NH3+ 153:sc= -0.01 (180deg=-0.919) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0986) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 ASN : amide:sc= 1.05 K(o=1,f=-0.17) USER MOD Single : A 133 SER OG : rot 180:sc= -0.451 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot -96:sc= 0.829 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 147 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 54 N LEU A 76 9.041 -3.472 -4.787 1.00 0.41 N ATOM 55 CA LEU A 76 8.011 -3.754 -3.794 1.00 0.29 C ATOM 56 C LEU A 76 6.821 -4.472 -4.421 1.00 0.23 C ATOM 57 O LEU A 76 6.118 -3.912 -5.267 1.00 0.28 O ATOM 58 CB LEU A 76 7.523 -2.459 -3.123 1.00 0.26 C ATOM 59 CG LEU A 76 8.494 -1.775 -2.150 1.00 0.35 C ATOM 60 CD1 LEU A 76 9.622 -1.084 -2.892 1.00 0.54 C ATOM 61 CD2 LEU A 76 7.758 -0.773 -1.270 1.00 0.27 C ATOM 0 HA LEU A 76 8.460 -4.402 -3.041 1.00 0.29 H new ATOM 0 HB2 LEU A 76 7.268 -1.745 -3.907 1.00 0.26 H new ATOM 0 HB3 LEU A 76 6.602 -2.682 -2.584 1.00 0.26 H new ATOM 0 HG LEU A 76 8.926 -2.550 -1.517 1.00 0.35 H new ATOM 0 HD11 LEU A 76 10.292 -0.609 -2.175 1.00 0.54 H new ATOM 0 HD12 LEU A 76 10.177 -1.818 -3.476 1.00 0.54 H new ATOM 0 HD13 LEU A 76 9.209 -0.327 -3.559 1.00 0.54 H new ATOM 0 HD21 LEU A 76 8.465 -0.300 -0.588 1.00 0.27 H new ATOM 0 HD22 LEU A 76 7.293 -0.012 -1.896 1.00 0.27 H new ATOM 0 HD23 LEU A 76 6.989 -1.289 -0.695 1.00 0.27 H new ATOM 73 N THR A 77 6.600 -5.710 -4.006 1.00 0.20 N ATOM 74 CA THR A 77 5.431 -6.468 -4.424 1.00 0.16 C ATOM 75 C THR A 77 4.368 -6.405 -3.337 1.00 0.16 C ATOM 76 O THR A 77 4.510 -7.032 -2.291 1.00 0.20 O ATOM 77 CB THR A 77 5.783 -7.945 -4.689 1.00 0.15 C ATOM 78 OG1 THR A 77 6.913 -8.034 -5.574 1.00 0.21 O ATOM 79 CG2 THR A 77 4.592 -8.684 -5.294 1.00 0.26 C ATOM 0 H THR A 77 7.222 -6.215 -3.374 1.00 0.20 H new ATOM 0 HA THR A 77 5.059 -6.027 -5.349 1.00 0.16 H new ATOM 0 HB THR A 77 6.035 -8.412 -3.737 1.00 0.15 H new ATOM 0 HG1 THR A 77 6.606 -7.981 -6.503 1.00 0.21 H new ATOM 0 HG21 THR A 77 4.862 -9.725 -5.473 1.00 0.26 H new ATOM 0 HG22 THR A 77 3.749 -8.642 -4.604 1.00 0.26 H new ATOM 0 HG23 THR A 77 4.313 -8.214 -6.237 1.00 0.26 H new ATOM 87 N LEU A 78 3.304 -5.656 -3.579 1.00 0.17 N ATOM 88 CA LEU A 78 2.291 -5.442 -2.558 1.00 0.20 C ATOM 89 C LEU A 78 1.248 -6.552 -2.617 1.00 0.18 C ATOM 90 O LEU A 78 0.411 -6.583 -3.522 1.00 0.20 O ATOM 91 CB LEU A 78 1.605 -4.083 -2.737 1.00 0.22 C ATOM 92 CG LEU A 78 2.525 -2.892 -3.027 1.00 0.30 C ATOM 93 CD1 LEU A 78 1.713 -1.607 -3.086 1.00 0.69 C ATOM 94 CD2 LEU A 78 3.625 -2.780 -1.982 1.00 0.72 C ATOM 0 H LEU A 78 3.120 -5.189 -4.467 1.00 0.17 H new ATOM 0 HA LEU A 78 2.784 -5.455 -1.586 1.00 0.20 H new ATOM 0 HB2 LEU A 78 0.886 -4.167 -3.552 1.00 0.22 H new ATOM 0 HB3 LEU A 78 1.037 -3.865 -1.833 1.00 0.22 H new ATOM 0 HG LEU A 78 3.000 -3.055 -3.994 1.00 0.30 H new ATOM 0 HD11 LEU A 78 2.376 -0.767 -3.293 1.00 0.69 H new ATOM 0 HD12 LEU A 78 0.967 -1.684 -3.877 1.00 0.69 H new ATOM 0 HD13 LEU A 78 1.213 -1.448 -2.130 1.00 0.69 H new ATOM 0 HD21 LEU A 78 4.262 -1.926 -2.214 1.00 0.72 H new ATOM 0 HD22 LEU A 78 3.179 -2.643 -0.997 1.00 0.72 H new ATOM 0 HD23 LEU A 78 4.224 -3.691 -1.985 1.00 0.72 H new ATOM 106 N LYS A 79 1.305 -7.471 -1.669 1.00 0.19 N ATOM 107 CA LYS A 79 0.347 -8.559 -1.631 1.00 0.19 C ATOM 108 C LYS A 79 -0.749 -8.276 -0.604 1.00 0.17 C ATOM 109 O LYS A 79 -0.481 -8.152 0.592 1.00 0.18 O ATOM 110 CB LYS A 79 1.056 -9.883 -1.342 1.00 0.29 C ATOM 111 CG LYS A 79 0.132 -11.089 -1.372 1.00 0.35 C ATOM 112 CD LYS A 79 0.889 -12.367 -1.700 1.00 0.88 C ATOM 113 CE LYS A 79 2.041 -12.613 -0.740 1.00 0.97 C ATOM 114 NZ LYS A 79 2.825 -13.818 -1.117 1.00 1.39 N ATOM 0 H LYS A 79 1.999 -7.485 -0.922 1.00 0.19 H new ATOM 0 HA LYS A 79 -0.129 -8.641 -2.608 1.00 0.19 H new ATOM 0 HB2 LYS A 79 1.851 -10.027 -2.074 1.00 0.29 H new ATOM 0 HB3 LYS A 79 1.531 -9.825 -0.363 1.00 0.29 H new ATOM 0 HG2 LYS A 79 -0.360 -11.195 -0.405 1.00 0.35 H new ATOM 0 HG3 LYS A 79 -0.652 -10.929 -2.113 1.00 0.35 H new ATOM 0 HD2 LYS A 79 0.203 -13.213 -1.666 1.00 0.88 H new ATOM 0 HD3 LYS A 79 1.273 -12.309 -2.719 1.00 0.88 H new ATOM 0 HE2 LYS A 79 2.696 -11.742 -0.728 1.00 0.97 H new ATOM 0 HE3 LYS A 79 1.652 -12.734 0.271 1.00 0.97 H new ATOM 0 HZ1 LYS A 79 3.602 -13.953 -0.439 1.00 1.39 H new ATOM 0 HZ2 LYS A 79 2.205 -14.653 -1.104 1.00 1.39 H new ATOM 0 HZ3 LYS A 79 3.217 -13.692 -2.072 1.00 1.39 H new ATOM 128 N LYS A 80 -1.980 -8.164 -1.090 1.00 0.20 N ATOM 129 CA LYS A 80 -3.115 -7.768 -0.265 1.00 0.20 C ATOM 130 C LYS A 80 -3.946 -8.977 0.135 1.00 0.26 C ATOM 131 O LYS A 80 -4.643 -9.566 -0.689 1.00 0.30 O ATOM 132 CB LYS A 80 -3.984 -6.766 -1.032 1.00 0.18 C ATOM 133 CG LYS A 80 -5.213 -6.284 -0.276 1.00 0.21 C ATOM 134 CD LYS A 80 -5.914 -5.182 -1.047 1.00 0.26 C ATOM 135 CE LYS A 80 -7.270 -4.843 -0.463 1.00 0.30 C ATOM 136 NZ LYS A 80 -7.917 -3.708 -1.180 1.00 0.40 N ATOM 0 H LYS A 80 -2.219 -8.345 -2.065 1.00 0.20 H new ATOM 0 HA LYS A 80 -2.736 -7.301 0.644 1.00 0.20 H new ATOM 0 HB2 LYS A 80 -3.373 -5.902 -1.295 1.00 0.18 H new ATOM 0 HB3 LYS A 80 -4.306 -7.225 -1.967 1.00 0.18 H new ATOM 0 HG2 LYS A 80 -5.898 -7.116 -0.116 1.00 0.21 H new ATOM 0 HG3 LYS A 80 -4.921 -5.918 0.708 1.00 0.21 H new ATOM 0 HD2 LYS A 80 -5.289 -4.289 -1.049 1.00 0.26 H new ATOM 0 HD3 LYS A 80 -6.035 -5.489 -2.086 1.00 0.26 H new ATOM 0 HE2 LYS A 80 -7.916 -5.719 -0.513 1.00 0.30 H new ATOM 0 HE3 LYS A 80 -7.158 -4.590 0.591 1.00 0.30 H new ATOM 0 HZ1 LYS A 80 -8.134 -2.948 -0.504 1.00 0.40 H new ATOM 0 HZ2 LYS A 80 -7.272 -3.347 -1.911 1.00 0.40 H new ATOM 0 HZ3 LYS A 80 -8.797 -4.036 -1.626 1.00 0.40 H new ATOM 150 N ILE A 81 -3.882 -9.330 1.408 1.00 0.33 N ATOM 151 CA ILE A 81 -4.597 -10.495 1.913 1.00 0.42 C ATOM 152 C ILE A 81 -5.718 -10.090 2.869 1.00 0.42 C ATOM 153 O ILE A 81 -6.070 -10.835 3.780 1.00 0.46 O ATOM 154 CB ILE A 81 -3.639 -11.479 2.623 1.00 0.53 C ATOM 155 CG1 ILE A 81 -2.893 -10.783 3.767 1.00 0.51 C ATOM 156 CG2 ILE A 81 -2.654 -12.062 1.620 1.00 0.64 C ATOM 157 CD1 ILE A 81 -2.034 -11.718 4.591 1.00 0.63 C ATOM 0 H ILE A 81 -3.342 -8.827 2.113 1.00 0.33 H new ATOM 0 HA ILE A 81 -5.037 -10.995 1.050 1.00 0.42 H new ATOM 0 HB ILE A 81 -4.229 -12.290 3.050 1.00 0.53 H new ATOM 0 HG12 ILE A 81 -2.263 -9.996 3.352 1.00 0.51 H new ATOM 0 HG13 ILE A 81 -3.619 -10.299 4.421 1.00 0.51 H new ATOM 0 HG21 ILE A 81 -1.983 -12.754 2.129 1.00 0.64 H new ATOM 0 HG22 ILE A 81 -3.200 -12.593 0.840 1.00 0.64 H new ATOM 0 HG23 ILE A 81 -2.072 -11.257 1.171 1.00 0.64 H new ATOM 0 HD11 ILE A 81 -1.537 -11.155 5.381 1.00 0.63 H new ATOM 0 HD12 ILE A 81 -2.661 -12.491 5.036 1.00 0.63 H new ATOM 0 HD13 ILE A 81 -1.284 -12.183 3.951 1.00 0.63 H new ATOM 169 N GLN A 82 -6.286 -8.910 2.646 1.00 0.44 N ATOM 170 CA GLN A 82 -7.348 -8.401 3.510 1.00 0.47 C ATOM 171 C GLN A 82 -8.723 -8.521 2.850 1.00 0.49 C ATOM 172 O GLN A 82 -9.398 -9.533 3.006 1.00 0.54 O ATOM 173 CB GLN A 82 -7.065 -6.953 3.898 1.00 0.46 C ATOM 174 CG GLN A 82 -5.861 -6.800 4.807 1.00 0.47 C ATOM 175 CD GLN A 82 -6.128 -7.275 6.222 1.00 0.57 C ATOM 176 OE1 GLN A 82 -5.951 -8.449 6.540 1.00 1.22 O ATOM 177 NE2 GLN A 82 -6.539 -6.358 7.084 1.00 1.15 N ATOM 0 H GLN A 82 -6.031 -8.289 1.878 1.00 0.44 H new ATOM 0 HA GLN A 82 -7.364 -9.014 4.411 1.00 0.47 H new ATOM 0 HB2 GLN A 82 -6.905 -6.366 2.993 1.00 0.46 H new ATOM 0 HB3 GLN A 82 -7.942 -6.539 4.396 1.00 0.46 H new ATOM 0 HG2 GLN A 82 -5.024 -7.362 4.392 1.00 0.47 H new ATOM 0 HG3 GLN A 82 -5.561 -5.753 4.831 1.00 0.47 H new ATOM 0 HE21 GLN A 82 -6.673 -5.394 6.778 1.00 1.15 H new ATOM 0 HE22 GLN A 82 -6.721 -6.615 8.054 1.00 1.15 H new ATOM 186 N ALA A 83 -9.132 -7.493 2.113 1.00 0.46 N ATOM 187 CA ALA A 83 -10.401 -7.523 1.386 1.00 0.50 C ATOM 188 C ALA A 83 -10.438 -6.419 0.337 1.00 0.47 C ATOM 189 O ALA A 83 -10.000 -5.302 0.597 1.00 0.47 O ATOM 190 CB ALA A 83 -11.582 -7.380 2.338 1.00 0.60 C ATOM 0 H ALA A 83 -8.604 -6.627 2.002 1.00 0.46 H new ATOM 0 HA ALA A 83 -10.479 -8.489 0.887 1.00 0.50 H new ATOM 0 HB1 ALA A 83 -12.512 -7.406 1.770 1.00 0.60 H new ATOM 0 HB2 ALA A 83 -11.572 -8.200 3.056 1.00 0.60 H new ATOM 0 HB3 ALA A 83 -11.508 -6.432 2.870 1.00 0.60 H new ATOM 196 N PRO A 84 -10.919 -6.720 -0.882 1.00 0.48 N ATOM 197 CA PRO A 84 -11.359 -8.061 -1.280 1.00 0.48 C ATOM 198 C PRO A 84 -10.184 -8.952 -1.677 1.00 0.40 C ATOM 199 O PRO A 84 -10.366 -9.980 -2.330 1.00 0.39 O ATOM 200 CB PRO A 84 -12.267 -7.803 -2.496 1.00 0.53 C ATOM 201 CG PRO A 84 -12.325 -6.316 -2.663 1.00 0.77 C ATOM 202 CD PRO A 84 -11.111 -5.766 -1.974 1.00 0.54 C ATOM 0 HA PRO A 84 -11.861 -8.583 -0.465 1.00 0.48 H new ATOM 0 HB2 PRO A 84 -11.866 -8.280 -3.390 1.00 0.53 H new ATOM 0 HB3 PRO A 84 -13.263 -8.216 -2.334 1.00 0.53 H new ATOM 0 HG2 PRO A 84 -12.330 -6.043 -3.718 1.00 0.77 H new ATOM 0 HG3 PRO A 84 -13.237 -5.911 -2.225 1.00 0.77 H new ATOM 0 HD2 PRO A 84 -10.248 -5.728 -2.638 1.00 0.54 H new ATOM 0 HD3 PRO A 84 -11.275 -4.753 -1.606 1.00 0.54 H new ATOM 210 N LYS A 85 -8.981 -8.521 -1.280 1.00 0.35 N ATOM 211 CA LYS A 85 -7.736 -9.265 -1.507 1.00 0.30 C ATOM 212 C LYS A 85 -7.299 -9.233 -2.974 1.00 0.27 C ATOM 213 O LYS A 85 -8.126 -9.264 -3.887 1.00 0.31 O ATOM 214 CB LYS A 85 -7.854 -10.722 -1.039 1.00 0.34 C ATOM 215 CG LYS A 85 -8.225 -10.884 0.428 1.00 0.41 C ATOM 216 CD LYS A 85 -8.111 -12.339 0.858 1.00 0.50 C ATOM 217 CE LYS A 85 -8.410 -12.528 2.338 1.00 1.33 C ATOM 218 NZ LYS A 85 -9.817 -12.198 2.679 1.00 1.96 N ATOM 0 H LYS A 85 -8.843 -7.638 -0.788 1.00 0.35 H new ATOM 0 HA LYS A 85 -6.973 -8.762 -0.912 1.00 0.30 H new ATOM 0 HB2 LYS A 85 -8.604 -11.227 -1.648 1.00 0.34 H new ATOM 0 HB3 LYS A 85 -6.905 -11.226 -1.219 1.00 0.34 H new ATOM 0 HG2 LYS A 85 -7.571 -10.266 1.043 1.00 0.41 H new ATOM 0 HG3 LYS A 85 -9.243 -10.531 0.591 1.00 0.41 H new ATOM 0 HD2 LYS A 85 -8.801 -12.945 0.270 1.00 0.50 H new ATOM 0 HD3 LYS A 85 -7.106 -12.701 0.643 1.00 0.50 H new ATOM 0 HE2 LYS A 85 -8.204 -13.561 2.618 1.00 1.33 H new ATOM 0 HE3 LYS A 85 -7.740 -11.899 2.924 1.00 1.33 H new ATOM 0 HZ1 LYS A 85 -10.086 -12.688 3.556 1.00 1.96 H new ATOM 0 HZ2 LYS A 85 -9.910 -11.171 2.814 1.00 1.96 H new ATOM 0 HZ3 LYS A 85 -10.442 -12.503 1.906 1.00 1.96 H new ATOM 232 N PHE A 86 -5.985 -9.165 -3.176 1.00 0.24 N ATOM 233 CA PHE A 86 -5.375 -9.221 -4.504 1.00 0.23 C ATOM 234 C PHE A 86 -3.855 -9.240 -4.371 1.00 0.22 C ATOM 235 O PHE A 86 -3.325 -9.259 -3.261 1.00 0.24 O ATOM 236 CB PHE A 86 -5.825 -8.049 -5.406 1.00 0.26 C ATOM 237 CG PHE A 86 -5.525 -6.658 -4.894 1.00 0.25 C ATOM 238 CD1 PHE A 86 -4.226 -6.252 -4.629 1.00 0.27 C ATOM 239 CD2 PHE A 86 -6.551 -5.744 -4.709 1.00 0.30 C ATOM 240 CE1 PHE A 86 -3.956 -4.973 -4.186 1.00 0.30 C ATOM 241 CE2 PHE A 86 -6.286 -4.461 -4.265 1.00 0.32 C ATOM 242 CZ PHE A 86 -4.985 -4.076 -4.004 1.00 0.28 C ATOM 0 H PHE A 86 -5.309 -9.069 -2.419 1.00 0.24 H new ATOM 0 HA PHE A 86 -5.712 -10.139 -4.986 1.00 0.23 H new ATOM 0 HB2 PHE A 86 -5.350 -8.165 -6.380 1.00 0.26 H new ATOM 0 HB3 PHE A 86 -6.900 -8.131 -5.563 1.00 0.26 H new ATOM 0 HD1 PHE A 86 -3.412 -6.948 -4.772 1.00 0.27 H new ATOM 0 HD2 PHE A 86 -7.570 -6.037 -4.914 1.00 0.30 H new ATOM 0 HE1 PHE A 86 -2.938 -4.676 -3.982 1.00 0.30 H new ATOM 0 HE2 PHE A 86 -7.096 -3.761 -4.122 1.00 0.32 H new ATOM 0 HZ PHE A 86 -4.776 -3.074 -3.658 1.00 0.28 H new ATOM 252 N SER A 87 -3.161 -9.239 -5.495 1.00 0.22 N ATOM 253 CA SER A 87 -1.708 -9.180 -5.499 1.00 0.24 C ATOM 254 C SER A 87 -1.226 -8.231 -6.590 1.00 0.23 C ATOM 255 O SER A 87 -1.524 -8.422 -7.769 1.00 0.31 O ATOM 256 CB SER A 87 -1.123 -10.583 -5.694 1.00 0.34 C ATOM 257 OG SER A 87 -1.729 -11.245 -6.792 1.00 1.32 O ATOM 0 H SER A 87 -3.582 -9.279 -6.423 1.00 0.22 H new ATOM 0 HA SER A 87 -1.363 -8.799 -4.538 1.00 0.24 H new ATOM 0 HB2 SER A 87 -0.048 -10.512 -5.858 1.00 0.34 H new ATOM 0 HB3 SER A 87 -1.269 -11.170 -4.787 1.00 0.34 H new ATOM 0 HG SER A 87 -1.820 -10.620 -7.541 1.00 1.32 H new ATOM 263 N ILE A 88 -0.505 -7.193 -6.191 1.00 0.18 N ATOM 264 CA ILE A 88 0.007 -6.213 -7.136 1.00 0.19 C ATOM 265 C ILE A 88 1.502 -6.030 -6.945 1.00 0.21 C ATOM 266 O ILE A 88 2.099 -6.609 -6.037 1.00 0.38 O ATOM 267 CB ILE A 88 -0.689 -4.841 -6.992 1.00 0.20 C ATOM 268 CG1 ILE A 88 -0.465 -4.279 -5.586 1.00 0.18 C ATOM 269 CG2 ILE A 88 -2.173 -4.953 -7.305 1.00 0.20 C ATOM 270 CD1 ILE A 88 -1.120 -2.936 -5.346 1.00 0.21 C ATOM 0 H ILE A 88 -0.262 -7.008 -5.218 1.00 0.18 H new ATOM 0 HA ILE A 88 -0.202 -6.598 -8.134 1.00 0.19 H new ATOM 0 HB ILE A 88 -0.249 -4.151 -7.712 1.00 0.20 H new ATOM 0 HG12 ILE A 88 -0.846 -4.993 -4.856 1.00 0.18 H new ATOM 0 HG13 ILE A 88 0.607 -4.185 -5.410 1.00 0.18 H new ATOM 0 HG21 ILE A 88 -2.642 -3.975 -7.197 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -2.303 -5.307 -8.328 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -2.638 -5.657 -6.615 1.00 0.20 H new ATOM 0 HD11 ILE A 88 -0.914 -2.608 -4.327 1.00 0.21 H new ATOM 0 HD12 ILE A 88 -0.721 -2.206 -6.050 1.00 0.21 H new ATOM 0 HD13 ILE A 88 -2.197 -3.026 -5.487 1.00 0.21 H new ATOM 282 N GLU A 89 2.104 -5.228 -7.797 1.00 0.21 N ATOM 283 CA GLU A 89 3.525 -4.982 -7.735 1.00 0.25 C ATOM 284 C GLU A 89 3.830 -3.582 -8.245 1.00 0.24 C ATOM 285 O GLU A 89 3.142 -3.080 -9.135 1.00 0.33 O ATOM 286 CB GLU A 89 4.256 -6.031 -8.568 1.00 0.30 C ATOM 287 CG GLU A 89 5.761 -5.911 -8.518 1.00 1.02 C ATOM 288 CD GLU A 89 6.451 -7.074 -9.189 1.00 1.07 C ATOM 289 OE1 GLU A 89 6.501 -7.104 -10.437 1.00 1.45 O ATOM 290 OE2 GLU A 89 6.952 -7.962 -8.469 1.00 0.93 O ATOM 0 H GLU A 89 1.624 -4.732 -8.547 1.00 0.21 H new ATOM 0 HA GLU A 89 3.866 -5.052 -6.702 1.00 0.25 H new ATOM 0 HB2 GLU A 89 3.968 -7.023 -8.219 1.00 0.30 H new ATOM 0 HB3 GLU A 89 3.929 -5.950 -9.605 1.00 0.30 H new ATOM 0 HG2 GLU A 89 6.066 -4.983 -9.001 1.00 1.02 H new ATOM 0 HG3 GLU A 89 6.084 -5.850 -7.479 1.00 1.02 H new ATOM 297 N HIS A 90 4.841 -2.944 -7.672 1.00 0.24 N ATOM 298 CA HIS A 90 5.211 -1.603 -8.091 1.00 0.28 C ATOM 299 C HIS A 90 6.727 -1.417 -8.022 1.00 0.33 C ATOM 300 O HIS A 90 7.408 -2.061 -7.218 1.00 0.44 O ATOM 301 CB HIS A 90 4.496 -0.544 -7.227 1.00 0.36 C ATOM 302 CG HIS A 90 5.120 -0.293 -5.889 1.00 1.10 C ATOM 303 ND1 HIS A 90 6.277 0.435 -5.721 1.00 1.86 N ATOM 304 CD2 HIS A 90 4.720 -0.648 -4.653 1.00 1.51 C ATOM 305 CE1 HIS A 90 6.560 0.518 -4.440 1.00 2.42 C ATOM 306 NE2 HIS A 90 5.629 -0.129 -3.768 1.00 2.20 N ATOM 0 H HIS A 90 5.414 -3.331 -6.922 1.00 0.24 H new ATOM 0 HA HIS A 90 4.895 -1.470 -9.126 1.00 0.28 H new ATOM 0 HB2 HIS A 90 4.467 0.395 -7.780 1.00 0.36 H new ATOM 0 HB3 HIS A 90 3.463 -0.857 -7.076 1.00 0.36 H new ATOM 0 HD1 HIS A 90 6.829 0.846 -6.474 1.00 1.86 H new ATOM 0 HD2 HIS A 90 3.846 -1.232 -4.405 1.00 1.51 H new ATOM 0 HE1 HIS A 90 7.410 1.029 -4.012 1.00 2.42 H new ATOM 315 N ASP A 91 7.242 -0.527 -8.855 1.00 0.39 N ATOM 316 CA ASP A 91 8.658 -0.180 -8.836 1.00 0.47 C ATOM 317 C ASP A 91 8.821 1.329 -8.751 1.00 0.45 C ATOM 318 O ASP A 91 8.315 2.063 -9.599 1.00 0.54 O ATOM 319 CB ASP A 91 9.381 -0.707 -10.082 1.00 0.65 C ATOM 320 CG ASP A 91 9.641 -2.200 -10.038 1.00 1.18 C ATOM 321 OD1 ASP A 91 10.636 -2.616 -9.407 1.00 1.73 O ATOM 322 OD2 ASP A 91 8.864 -2.967 -10.650 1.00 1.83 O ATOM 0 H ASP A 91 6.698 -0.027 -9.558 1.00 0.39 H new ATOM 0 HA ASP A 91 9.105 -0.648 -7.959 1.00 0.47 H new ATOM 0 HB2 ASP A 91 8.785 -0.475 -10.965 1.00 0.65 H new ATOM 0 HB3 ASP A 91 10.330 -0.183 -10.192 1.00 0.65 H new ATOM 327 N PHE A 92 9.511 1.790 -7.719 1.00 0.40 N ATOM 328 CA PHE A 92 9.742 3.216 -7.529 1.00 0.43 C ATOM 329 C PHE A 92 11.176 3.460 -7.094 1.00 0.43 C ATOM 330 O PHE A 92 11.860 2.543 -6.638 1.00 0.45 O ATOM 331 CB PHE A 92 8.778 3.804 -6.491 1.00 0.44 C ATOM 332 CG PHE A 92 7.369 3.964 -6.992 1.00 0.55 C ATOM 333 CD1 PHE A 92 7.093 4.797 -8.065 1.00 0.83 C ATOM 334 CD2 PHE A 92 6.326 3.279 -6.396 1.00 0.53 C ATOM 335 CE1 PHE A 92 5.801 4.942 -8.531 1.00 0.97 C ATOM 336 CE2 PHE A 92 5.031 3.419 -6.859 1.00 0.68 C ATOM 337 CZ PHE A 92 4.768 4.251 -7.929 1.00 0.85 C ATOM 0 H PHE A 92 9.922 1.197 -6.998 1.00 0.40 H new ATOM 0 HA PHE A 92 9.562 3.713 -8.482 1.00 0.43 H new ATOM 0 HB2 PHE A 92 8.770 3.161 -5.611 1.00 0.44 H new ATOM 0 HB3 PHE A 92 9.152 4.776 -6.171 1.00 0.44 H new ATOM 0 HD1 PHE A 92 7.897 5.338 -8.542 1.00 0.83 H new ATOM 0 HD2 PHE A 92 6.526 2.627 -5.559 1.00 0.53 H new ATOM 0 HE1 PHE A 92 5.599 5.596 -9.366 1.00 0.97 H new ATOM 0 HE2 PHE A 92 4.226 2.878 -6.384 1.00 0.68 H new ATOM 0 HZ PHE A 92 3.758 4.361 -8.294 1.00 0.85 H new ATOM 347 N SER A 93 11.624 4.691 -7.253 1.00 0.48 N ATOM 348 CA SER A 93 12.974 5.070 -6.884 1.00 0.49 C ATOM 349 C SER A 93 13.024 5.422 -5.397 1.00 0.42 C ATOM 350 O SER A 93 12.044 5.909 -4.837 1.00 0.42 O ATOM 351 CB SER A 93 13.416 6.248 -7.752 1.00 0.63 C ATOM 352 OG SER A 93 13.243 5.949 -9.130 1.00 0.81 O ATOM 0 H SER A 93 11.066 5.452 -7.639 1.00 0.48 H new ATOM 0 HA SER A 93 13.659 4.239 -7.053 1.00 0.49 H new ATOM 0 HB2 SER A 93 12.838 7.135 -7.492 1.00 0.63 H new ATOM 0 HB3 SER A 93 14.462 6.480 -7.554 1.00 0.63 H new ATOM 0 HG SER A 93 13.530 6.715 -9.669 1.00 0.81 H new ATOM 358 N PRO A 94 14.176 5.162 -4.746 1.00 0.46 N ATOM 359 CA PRO A 94 14.321 5.202 -3.281 1.00 0.51 C ATOM 360 C PRO A 94 13.825 6.488 -2.621 1.00 0.52 C ATOM 361 O PRO A 94 13.418 6.467 -1.465 1.00 0.73 O ATOM 362 CB PRO A 94 15.833 5.045 -3.054 1.00 0.71 C ATOM 363 CG PRO A 94 16.459 5.266 -4.389 1.00 0.67 C ATOM 364 CD PRO A 94 15.446 4.803 -5.390 1.00 0.57 C ATOM 0 HA PRO A 94 13.708 4.423 -2.827 1.00 0.51 H new ATOM 0 HB2 PRO A 94 16.198 5.768 -2.324 1.00 0.71 H new ATOM 0 HB3 PRO A 94 16.071 4.054 -2.667 1.00 0.71 H new ATOM 0 HG2 PRO A 94 16.705 6.318 -4.538 1.00 0.67 H new ATOM 0 HG3 PRO A 94 17.389 4.705 -4.484 1.00 0.67 H new ATOM 0 HD2 PRO A 94 15.569 5.301 -6.352 1.00 0.57 H new ATOM 0 HD3 PRO A 94 15.519 3.731 -5.575 1.00 0.57 H new ATOM 372 N SER A 95 13.870 7.604 -3.322 1.00 0.47 N ATOM 373 CA SER A 95 13.463 8.868 -2.721 1.00 0.51 C ATOM 374 C SER A 95 11.947 9.049 -2.724 1.00 0.44 C ATOM 375 O SER A 95 11.438 10.054 -2.221 1.00 0.49 O ATOM 376 CB SER A 95 14.117 10.043 -3.425 1.00 0.62 C ATOM 377 OG SER A 95 15.533 9.928 -3.416 1.00 0.89 O ATOM 0 H SER A 95 14.178 7.667 -4.292 1.00 0.47 H new ATOM 0 HA SER A 95 13.797 8.838 -1.684 1.00 0.51 H new ATOM 0 HB2 SER A 95 13.761 10.097 -4.454 1.00 0.62 H new ATOM 0 HB3 SER A 95 13.822 10.972 -2.937 1.00 0.62 H new ATOM 0 HG SER A 95 15.927 10.698 -3.878 1.00 0.89 H new ATOM 383 N ASP A 96 11.225 8.091 -3.290 1.00 0.36 N ATOM 384 CA ASP A 96 9.771 8.138 -3.265 1.00 0.33 C ATOM 385 C ASP A 96 9.287 7.759 -1.869 1.00 0.26 C ATOM 386 O ASP A 96 10.054 7.211 -1.072 1.00 0.24 O ATOM 387 CB ASP A 96 9.179 7.197 -4.319 1.00 0.35 C ATOM 388 CG ASP A 96 7.729 7.508 -4.630 1.00 0.80 C ATOM 389 OD1 ASP A 96 7.463 8.574 -5.232 1.00 1.37 O ATOM 390 OD2 ASP A 96 6.853 6.690 -4.295 1.00 1.23 O ATOM 0 H ASP A 96 11.618 7.280 -3.767 1.00 0.36 H new ATOM 0 HA ASP A 96 9.437 9.148 -3.502 1.00 0.33 H new ATOM 0 HB2 ASP A 96 9.766 7.268 -5.235 1.00 0.35 H new ATOM 0 HB3 ASP A 96 9.259 6.168 -3.968 1.00 0.35 H new ATOM 395 N THR A 97 8.042 8.064 -1.556 1.00 0.28 N ATOM 396 CA THR A 97 7.532 7.803 -0.224 1.00 0.22 C ATOM 397 C THR A 97 6.373 6.822 -0.256 1.00 0.19 C ATOM 398 O THR A 97 5.688 6.683 -1.271 1.00 0.23 O ATOM 399 CB THR A 97 7.078 9.097 0.483 1.00 0.25 C ATOM 400 OG1 THR A 97 6.069 9.760 -0.284 1.00 0.32 O ATOM 401 CG2 THR A 97 8.249 10.040 0.689 1.00 0.31 C ATOM 0 H THR A 97 7.372 8.488 -2.198 1.00 0.28 H new ATOM 0 HA THR A 97 8.357 7.367 0.339 1.00 0.22 H new ATOM 0 HB THR A 97 6.670 8.818 1.455 1.00 0.25 H new ATOM 0 HG1 THR A 97 5.791 10.578 0.179 1.00 0.32 H new ATOM 0 HG21 THR A 97 7.904 10.945 1.189 1.00 0.31 H new ATOM 0 HG22 THR A 97 9.005 9.552 1.303 1.00 0.31 H new ATOM 0 HG23 THR A 97 8.680 10.301 -0.277 1.00 0.31 H new ATOM 409 N ILE A 98 6.166 6.148 0.863 1.00 0.17 N ATOM 410 CA ILE A 98 5.037 5.250 1.036 1.00 0.18 C ATOM 411 C ILE A 98 3.723 5.968 0.710 1.00 0.18 C ATOM 412 O ILE A 98 2.802 5.376 0.148 1.00 0.20 O ATOM 413 CB ILE A 98 5.009 4.696 2.483 1.00 0.18 C ATOM 414 CG1 ILE A 98 6.197 3.761 2.725 1.00 0.19 C ATOM 415 CG2 ILE A 98 3.706 3.977 2.783 1.00 0.24 C ATOM 416 CD1 ILE A 98 6.203 2.538 1.832 1.00 0.22 C ATOM 0 H ILE A 98 6.777 6.208 1.678 1.00 0.17 H new ATOM 0 HA ILE A 98 5.150 4.414 0.346 1.00 0.18 H new ATOM 0 HB ILE A 98 5.084 5.547 3.160 1.00 0.18 H new ATOM 0 HG12 ILE A 98 7.122 4.317 2.571 1.00 0.19 H new ATOM 0 HG13 ILE A 98 6.188 3.439 3.766 1.00 0.19 H new ATOM 0 HG21 ILE A 98 3.724 3.603 3.807 1.00 0.24 H new ATOM 0 HG22 ILE A 98 2.873 4.670 2.665 1.00 0.24 H new ATOM 0 HG23 ILE A 98 3.584 3.142 2.093 1.00 0.24 H new ATOM 0 HD11 ILE A 98 7.074 1.924 2.062 1.00 0.22 H new ATOM 0 HD12 ILE A 98 5.295 1.959 2.002 1.00 0.22 H new ATOM 0 HD13 ILE A 98 6.244 2.850 0.788 1.00 0.22 H new ATOM 428 N LEU A 99 3.667 7.256 1.024 1.00 0.19 N ATOM 429 CA LEU A 99 2.472 8.061 0.796 1.00 0.21 C ATOM 430 C LEU A 99 2.191 8.202 -0.686 1.00 0.20 C ATOM 431 O LEU A 99 1.038 8.206 -1.098 1.00 0.21 O ATOM 432 CB LEU A 99 2.631 9.435 1.458 1.00 0.27 C ATOM 433 CG LEU A 99 1.370 10.304 1.510 1.00 0.36 C ATOM 434 CD1 LEU A 99 1.415 11.215 2.723 1.00 0.71 C ATOM 435 CD2 LEU A 99 1.225 11.136 0.244 1.00 0.64 C ATOM 0 H LEU A 99 4.443 7.770 1.441 1.00 0.19 H new ATOM 0 HA LEU A 99 1.619 7.555 1.248 1.00 0.21 H new ATOM 0 HB2 LEU A 99 2.988 9.286 2.477 1.00 0.27 H new ATOM 0 HB3 LEU A 99 3.406 9.986 0.925 1.00 0.27 H new ATOM 0 HG LEU A 99 0.507 9.643 1.586 1.00 0.36 H new ATOM 0 HD11 LEU A 99 0.514 11.828 2.751 1.00 0.71 H new ATOM 0 HD12 LEU A 99 1.471 10.612 3.629 1.00 0.71 H new ATOM 0 HD13 LEU A 99 2.292 11.860 2.661 1.00 0.71 H new ATOM 0 HD21 LEU A 99 0.322 11.743 0.309 1.00 0.64 H new ATOM 0 HD22 LEU A 99 2.092 11.787 0.135 1.00 0.64 H new ATOM 0 HD23 LEU A 99 1.157 10.475 -0.620 1.00 0.64 H new ATOM 447 N GLN A 100 3.236 8.295 -1.489 1.00 0.20 N ATOM 448 CA GLN A 100 3.066 8.408 -2.926 1.00 0.21 C ATOM 449 C GLN A 100 2.537 7.095 -3.489 1.00 0.15 C ATOM 450 O GLN A 100 1.680 7.083 -4.374 1.00 0.13 O ATOM 451 CB GLN A 100 4.381 8.803 -3.594 1.00 0.29 C ATOM 452 CG GLN A 100 4.941 10.115 -3.076 1.00 0.39 C ATOM 453 CD GLN A 100 3.924 11.239 -3.112 1.00 0.45 C ATOM 454 OE1 GLN A 100 3.065 11.289 -3.991 1.00 0.70 O ATOM 455 NE2 GLN A 100 3.999 12.134 -2.141 1.00 0.53 N ATOM 0 H GLN A 100 4.206 8.295 -1.173 1.00 0.20 H new ATOM 0 HA GLN A 100 2.339 9.192 -3.137 1.00 0.21 H new ATOM 0 HB2 GLN A 100 5.115 8.013 -3.434 1.00 0.29 H new ATOM 0 HB3 GLN A 100 4.226 8.881 -4.670 1.00 0.29 H new ATOM 0 HG2 GLN A 100 5.289 9.978 -2.052 1.00 0.39 H new ATOM 0 HG3 GLN A 100 5.809 10.396 -3.673 1.00 0.39 H new ATOM 0 HE21 GLN A 100 4.727 12.056 -1.431 1.00 0.53 H new ATOM 0 HE22 GLN A 100 3.329 12.902 -2.102 1.00 0.53 H new ATOM 464 N ILE A 101 3.039 5.994 -2.946 1.00 0.13 N ATOM 465 CA ILE A 101 2.550 4.668 -3.302 1.00 0.12 C ATOM 466 C ILE A 101 1.082 4.535 -2.900 1.00 0.10 C ATOM 467 O ILE A 101 0.268 3.979 -3.633 1.00 0.11 O ATOM 468 CB ILE A 101 3.368 3.560 -2.605 1.00 0.15 C ATOM 469 CG1 ILE A 101 4.867 3.775 -2.832 1.00 0.17 C ATOM 470 CG2 ILE A 101 2.948 2.186 -3.116 1.00 0.20 C ATOM 471 CD1 ILE A 101 5.738 2.809 -2.059 1.00 0.21 C ATOM 0 H ILE A 101 3.788 5.993 -2.254 1.00 0.13 H new ATOM 0 HA ILE A 101 2.657 4.550 -4.380 1.00 0.12 H new ATOM 0 HB ILE A 101 3.169 3.609 -1.534 1.00 0.15 H new ATOM 0 HG12 ILE A 101 5.083 3.676 -3.896 1.00 0.17 H new ATOM 0 HG13 ILE A 101 5.127 4.794 -2.547 1.00 0.17 H new ATOM 0 HG21 ILE A 101 3.535 1.416 -2.614 1.00 0.20 H new ATOM 0 HG22 ILE A 101 1.890 2.029 -2.909 1.00 0.20 H new ATOM 0 HG23 ILE A 101 3.119 2.130 -4.191 1.00 0.20 H new ATOM 0 HD11 ILE A 101 6.787 3.019 -2.267 1.00 0.21 H new ATOM 0 HD12 ILE A 101 5.550 2.924 -0.992 1.00 0.21 H new ATOM 0 HD13 ILE A 101 5.505 1.788 -2.361 1.00 0.21 H new ATOM 483 N LYS A 102 0.761 5.067 -1.728 1.00 0.13 N ATOM 484 CA LYS A 102 -0.606 5.074 -1.227 1.00 0.17 C ATOM 485 C LYS A 102 -1.523 5.885 -2.127 1.00 0.15 C ATOM 486 O LYS A 102 -2.577 5.407 -2.543 1.00 0.17 O ATOM 487 CB LYS A 102 -0.650 5.653 0.176 1.00 0.28 C ATOM 488 CG LYS A 102 -0.694 4.614 1.272 1.00 0.50 C ATOM 489 CD LYS A 102 0.560 3.770 1.330 1.00 0.94 C ATOM 490 CE LYS A 102 0.540 2.876 2.552 1.00 0.81 C ATOM 491 NZ LYS A 102 0.217 3.648 3.780 1.00 0.83 N ATOM 0 H LYS A 102 1.437 5.503 -1.101 1.00 0.13 H new ATOM 0 HA LYS A 102 -0.954 4.041 -1.213 1.00 0.17 H new ATOM 0 HB2 LYS A 102 0.226 6.285 0.324 1.00 0.28 H new ATOM 0 HB3 LYS A 102 -1.526 6.296 0.265 1.00 0.28 H new ATOM 0 HG2 LYS A 102 -0.837 5.111 2.232 1.00 0.50 H new ATOM 0 HG3 LYS A 102 -1.556 3.965 1.117 1.00 0.50 H new ATOM 0 HD2 LYS A 102 0.639 3.162 0.429 1.00 0.94 H new ATOM 0 HD3 LYS A 102 1.439 4.415 1.358 1.00 0.94 H new ATOM 0 HE2 LYS A 102 -0.196 2.084 2.414 1.00 0.81 H new ATOM 0 HE3 LYS A 102 1.510 2.393 2.668 1.00 0.81 H new ATOM 0 HZ1 LYS A 102 0.854 3.359 4.549 1.00 0.83 H new ATOM 0 HZ2 LYS A 102 0.338 4.664 3.593 1.00 0.83 H new ATOM 0 HZ3 LYS A 102 -0.768 3.462 4.058 1.00 0.83 H new ATOM 505 N GLN A 103 -1.113 7.118 -2.417 1.00 0.14 N ATOM 506 CA GLN A 103 -1.845 7.989 -3.333 1.00 0.14 C ATOM 507 C GLN A 103 -2.062 7.292 -4.658 1.00 0.13 C ATOM 508 O GLN A 103 -3.031 7.557 -5.366 1.00 0.16 O ATOM 509 CB GLN A 103 -1.071 9.280 -3.579 1.00 0.17 C ATOM 510 CG GLN A 103 -0.972 10.180 -2.360 1.00 0.23 C ATOM 511 CD GLN A 103 -2.119 11.163 -2.259 1.00 0.33 C ATOM 512 OE1 GLN A 103 -2.048 12.275 -2.785 1.00 0.83 O ATOM 513 NE2 GLN A 103 -3.181 10.768 -1.582 1.00 0.45 N ATOM 0 H GLN A 103 -0.270 7.539 -2.027 1.00 0.14 H new ATOM 0 HA GLN A 103 -2.807 8.223 -2.877 1.00 0.14 H new ATOM 0 HB2 GLN A 103 -0.065 9.030 -3.917 1.00 0.17 H new ATOM 0 HB3 GLN A 103 -1.551 9.831 -4.388 1.00 0.17 H new ATOM 0 HG2 GLN A 103 -0.948 9.564 -1.461 1.00 0.23 H new ATOM 0 HG3 GLN A 103 -0.031 10.729 -2.396 1.00 0.23 H new ATOM 0 HE21 GLN A 103 -3.201 9.839 -1.161 1.00 0.45 H new ATOM 0 HE22 GLN A 103 -3.982 11.392 -1.480 1.00 0.45 H new ATOM 522 N HIS A 104 -1.162 6.377 -4.969 1.00 0.12 N ATOM 523 CA HIS A 104 -1.219 5.668 -6.238 1.00 0.12 C ATOM 524 C HIS A 104 -2.311 4.619 -6.177 1.00 0.12 C ATOM 525 O HIS A 104 -3.104 4.482 -7.101 1.00 0.18 O ATOM 526 CB HIS A 104 0.121 5.007 -6.576 1.00 0.14 C ATOM 527 CG HIS A 104 0.233 4.588 -8.013 1.00 0.22 C ATOM 528 ND1 HIS A 104 -0.423 3.497 -8.543 1.00 1.21 N ATOM 529 CD2 HIS A 104 0.926 5.136 -9.038 1.00 0.98 C ATOM 530 CE1 HIS A 104 -0.138 3.394 -9.825 1.00 0.95 C ATOM 531 NE2 HIS A 104 0.679 4.375 -10.152 1.00 0.54 N ATOM 0 H HIS A 104 -0.386 6.107 -4.365 1.00 0.12 H new ATOM 0 HA HIS A 104 -1.439 6.391 -7.024 1.00 0.12 H new ATOM 0 HB2 HIS A 104 0.929 5.701 -6.343 1.00 0.14 H new ATOM 0 HB3 HIS A 104 0.258 4.133 -5.939 1.00 0.14 H new ATOM 0 HD1 HIS A 104 -1.034 2.867 -8.023 1.00 1.21 H new ATOM 0 HD2 HIS A 104 1.557 6.011 -8.988 1.00 0.98 H new ATOM 0 HE1 HIS A 104 -0.511 2.634 -10.495 1.00 0.95 H new ATOM 540 N LEU A 105 -2.355 3.894 -5.070 1.00 0.11 N ATOM 541 CA LEU A 105 -3.376 2.881 -4.865 1.00 0.12 C ATOM 542 C LEU A 105 -4.748 3.536 -4.750 1.00 0.13 C ATOM 543 O LEU A 105 -5.760 2.961 -5.149 1.00 0.18 O ATOM 544 CB LEU A 105 -3.058 2.049 -3.621 1.00 0.13 C ATOM 545 CG LEU A 105 -1.677 1.383 -3.631 1.00 0.14 C ATOM 546 CD1 LEU A 105 -1.486 0.521 -2.397 1.00 0.17 C ATOM 547 CD2 LEU A 105 -1.488 0.554 -4.891 1.00 0.18 C ATOM 0 H LEU A 105 -1.694 3.989 -4.299 1.00 0.11 H new ATOM 0 HA LEU A 105 -3.388 2.211 -5.724 1.00 0.12 H new ATOM 0 HB2 LEU A 105 -3.130 2.691 -2.743 1.00 0.13 H new ATOM 0 HB3 LEU A 105 -3.818 1.276 -3.514 1.00 0.13 H new ATOM 0 HG LEU A 105 -0.923 2.170 -3.620 1.00 0.14 H new ATOM 0 HD11 LEU A 105 -0.499 0.058 -2.425 1.00 0.17 H new ATOM 0 HD12 LEU A 105 -1.571 1.140 -1.504 1.00 0.17 H new ATOM 0 HD13 LEU A 105 -2.250 -0.256 -2.374 1.00 0.17 H new ATOM 0 HD21 LEU A 105 -0.501 0.091 -4.877 1.00 0.18 H new ATOM 0 HD22 LEU A 105 -2.253 -0.222 -4.934 1.00 0.18 H new ATOM 0 HD23 LEU A 105 -1.574 1.198 -5.766 1.00 0.18 H new ATOM 559 N ILE A 106 -4.777 4.751 -4.215 1.00 0.11 N ATOM 560 CA ILE A 106 -5.995 5.546 -4.195 1.00 0.13 C ATOM 561 C ILE A 106 -6.409 5.920 -5.614 1.00 0.14 C ATOM 562 O ILE A 106 -7.563 5.732 -6.006 1.00 0.17 O ATOM 563 CB ILE A 106 -5.815 6.846 -3.384 1.00 0.13 C ATOM 564 CG1 ILE A 106 -5.429 6.536 -1.939 1.00 0.14 C ATOM 565 CG2 ILE A 106 -7.090 7.679 -3.423 1.00 0.16 C ATOM 566 CD1 ILE A 106 -5.154 7.774 -1.117 1.00 0.15 C ATOM 0 H ILE A 106 -3.969 5.206 -3.789 1.00 0.11 H new ATOM 0 HA ILE A 106 -6.765 4.935 -3.723 1.00 0.13 H new ATOM 0 HB ILE A 106 -5.008 7.420 -3.839 1.00 0.13 H new ATOM 0 HG12 ILE A 106 -6.231 5.967 -1.470 1.00 0.14 H new ATOM 0 HG13 ILE A 106 -4.543 5.901 -1.935 1.00 0.14 H new ATOM 0 HG21 ILE A 106 -6.946 8.592 -2.846 1.00 0.16 H new ATOM 0 HG22 ILE A 106 -7.325 7.936 -4.456 1.00 0.16 H new ATOM 0 HG23 ILE A 106 -7.912 7.106 -2.995 1.00 0.16 H new ATOM 0 HD11 ILE A 106 -4.885 7.484 -0.101 1.00 0.15 H new ATOM 0 HD12 ILE A 106 -4.332 8.332 -1.564 1.00 0.15 H new ATOM 0 HD13 ILE A 106 -6.046 8.400 -1.092 1.00 0.15 H new ATOM 578 N SER A 107 -5.450 6.425 -6.384 1.00 0.13 N ATOM 579 CA SER A 107 -5.723 6.939 -7.718 1.00 0.17 C ATOM 580 C SER A 107 -6.104 5.813 -8.686 1.00 0.18 C ATOM 581 O SER A 107 -6.777 6.052 -9.687 1.00 0.27 O ATOM 582 CB SER A 107 -4.510 7.734 -8.234 1.00 0.23 C ATOM 583 OG SER A 107 -3.351 6.922 -8.337 1.00 0.61 O ATOM 0 H SER A 107 -4.472 6.488 -6.103 1.00 0.13 H new ATOM 0 HA SER A 107 -6.579 7.611 -7.659 1.00 0.17 H new ATOM 0 HB2 SER A 107 -4.743 8.160 -9.210 1.00 0.23 H new ATOM 0 HB3 SER A 107 -4.310 8.569 -7.562 1.00 0.23 H new ATOM 0 HG SER A 107 -3.509 6.067 -7.885 1.00 0.61 H new ATOM 589 N GLU A 108 -5.682 4.586 -8.383 1.00 0.16 N ATOM 590 CA GLU A 108 -6.052 3.433 -9.203 1.00 0.17 C ATOM 591 C GLU A 108 -7.216 2.665 -8.577 1.00 0.17 C ATOM 592 O GLU A 108 -7.521 1.539 -8.972 1.00 0.21 O ATOM 593 CB GLU A 108 -4.852 2.508 -9.429 1.00 0.20 C ATOM 594 CG GLU A 108 -4.237 1.971 -8.152 1.00 0.22 C ATOM 595 CD GLU A 108 -3.081 1.033 -8.415 1.00 0.28 C ATOM 596 OE1 GLU A 108 -3.316 -0.070 -8.957 1.00 0.35 O ATOM 597 OE2 GLU A 108 -1.931 1.397 -8.094 1.00 0.42 O ATOM 0 H GLU A 108 -5.089 4.366 -7.583 1.00 0.16 H new ATOM 0 HA GLU A 108 -6.376 3.808 -10.174 1.00 0.17 H new ATOM 0 HB2 GLU A 108 -5.165 1.669 -10.050 1.00 0.20 H new ATOM 0 HB3 GLU A 108 -4.089 3.050 -9.987 1.00 0.20 H new ATOM 0 HG2 GLU A 108 -3.892 2.805 -7.540 1.00 0.22 H new ATOM 0 HG3 GLU A 108 -5.001 1.448 -7.577 1.00 0.22 H new ATOM 604 N GLU A 109 -7.855 3.301 -7.594 1.00 0.16 N ATOM 605 CA GLU A 109 -9.048 2.768 -6.936 1.00 0.19 C ATOM 606 C GLU A 109 -8.823 1.368 -6.375 1.00 0.20 C ATOM 607 O GLU A 109 -9.656 0.475 -6.529 1.00 0.30 O ATOM 608 CB GLU A 109 -10.236 2.780 -7.892 1.00 0.24 C ATOM 609 CG GLU A 109 -10.606 4.174 -8.363 1.00 0.31 C ATOM 610 CD GLU A 109 -11.909 4.198 -9.123 1.00 1.02 C ATOM 611 OE1 GLU A 109 -12.974 4.209 -8.473 1.00 0.95 O ATOM 612 OE2 GLU A 109 -11.877 4.201 -10.372 1.00 1.86 O ATOM 0 H GLU A 109 -7.557 4.206 -7.230 1.00 0.16 H new ATOM 0 HA GLU A 109 -9.268 3.419 -6.090 1.00 0.19 H new ATOM 0 HB2 GLU A 109 -10.004 2.160 -8.758 1.00 0.24 H new ATOM 0 HB3 GLU A 109 -11.097 2.329 -7.398 1.00 0.24 H new ATOM 0 HG2 GLU A 109 -10.679 4.838 -7.502 1.00 0.31 H new ATOM 0 HG3 GLU A 109 -9.811 4.563 -8.999 1.00 0.31 H new ATOM 619 N LYS A 110 -7.691 1.191 -5.726 1.00 0.15 N ATOM 620 CA LYS A 110 -7.376 -0.050 -5.043 1.00 0.17 C ATOM 621 C LYS A 110 -7.530 0.153 -3.542 1.00 0.19 C ATOM 622 O LYS A 110 -7.348 -0.774 -2.745 1.00 0.27 O ATOM 623 CB LYS A 110 -5.950 -0.479 -5.390 1.00 0.21 C ATOM 624 CG LYS A 110 -5.752 -0.790 -6.862 1.00 0.23 C ATOM 625 CD LYS A 110 -6.398 -2.101 -7.268 1.00 0.23 C ATOM 626 CE LYS A 110 -6.399 -2.263 -8.781 1.00 0.36 C ATOM 627 NZ LYS A 110 -5.033 -2.158 -9.362 1.00 1.22 N ATOM 0 H LYS A 110 -6.963 1.902 -5.656 1.00 0.15 H new ATOM 0 HA LYS A 110 -8.059 -0.837 -5.363 1.00 0.17 H new ATOM 0 HB2 LYS A 110 -5.260 0.313 -5.098 1.00 0.21 H new ATOM 0 HB3 LYS A 110 -5.691 -1.360 -4.803 1.00 0.21 H new ATOM 0 HG2 LYS A 110 -6.170 0.019 -7.461 1.00 0.23 H new ATOM 0 HG3 LYS A 110 -4.685 -0.830 -7.082 1.00 0.23 H new ATOM 0 HD2 LYS A 110 -5.861 -2.932 -6.810 1.00 0.23 H new ATOM 0 HD3 LYS A 110 -7.421 -2.137 -6.894 1.00 0.23 H new ATOM 0 HE2 LYS A 110 -6.828 -3.231 -9.040 1.00 0.36 H new ATOM 0 HE3 LYS A 110 -7.040 -1.501 -9.225 1.00 0.36 H new ATOM 0 HZ1 LYS A 110 -5.070 -2.375 -10.378 1.00 1.22 H new ATOM 0 HZ2 LYS A 110 -4.672 -1.192 -9.227 1.00 1.22 H new ATOM 0 HZ3 LYS A 110 -4.401 -2.833 -8.887 1.00 1.22 H new ATOM 641 N ALA A 111 -7.880 1.383 -3.177 1.00 0.16 N ATOM 642 CA ALA A 111 -8.036 1.771 -1.788 1.00 0.18 C ATOM 643 C ALA A 111 -8.841 3.056 -1.674 1.00 0.19 C ATOM 644 O ALA A 111 -9.251 3.635 -2.684 1.00 0.29 O ATOM 645 CB ALA A 111 -6.678 1.962 -1.145 1.00 0.20 C ATOM 0 H ALA A 111 -8.063 2.136 -3.840 1.00 0.16 H new ATOM 0 HA ALA A 111 -8.572 0.976 -1.270 1.00 0.18 H new ATOM 0 HB1 ALA A 111 -6.807 2.253 -0.103 1.00 0.20 H new ATOM 0 HB2 ALA A 111 -6.117 1.028 -1.194 1.00 0.20 H new ATOM 0 HB3 ALA A 111 -6.131 2.742 -1.675 1.00 0.20 H new ATOM 651 N SER A 112 -9.045 3.508 -0.445 1.00 0.21 N ATOM 652 CA SER A 112 -9.792 4.726 -0.195 1.00 0.23 C ATOM 653 C SER A 112 -8.852 5.883 0.143 1.00 0.21 C ATOM 654 O SER A 112 -8.820 6.891 -0.563 1.00 0.26 O ATOM 655 CB SER A 112 -10.786 4.496 0.940 1.00 0.29 C ATOM 656 OG SER A 112 -11.629 3.397 0.645 1.00 1.23 O ATOM 0 H SER A 112 -8.701 3.045 0.396 1.00 0.21 H new ATOM 0 HA SER A 112 -10.338 4.993 -1.100 1.00 0.23 H new ATOM 0 HB2 SER A 112 -10.249 4.311 1.870 1.00 0.29 H new ATOM 0 HB3 SER A 112 -11.387 5.392 1.092 1.00 0.29 H new ATOM 0 HG SER A 112 -12.260 3.261 1.383 1.00 1.23 H new ATOM 662 N HIS A 113 -8.085 5.733 1.220 1.00 0.16 N ATOM 663 CA HIS A 113 -7.153 6.773 1.646 1.00 0.16 C ATOM 664 C HIS A 113 -5.768 6.190 1.910 1.00 0.14 C ATOM 665 O HIS A 113 -5.613 4.971 1.953 1.00 0.15 O ATOM 666 CB HIS A 113 -7.657 7.492 2.902 1.00 0.21 C ATOM 667 CG HIS A 113 -8.832 8.396 2.668 1.00 0.44 C ATOM 668 ND1 HIS A 113 -8.717 9.765 2.559 1.00 1.47 N ATOM 669 CD2 HIS A 113 -10.153 8.122 2.532 1.00 0.75 C ATOM 670 CE1 HIS A 113 -9.912 10.291 2.369 1.00 1.47 C ATOM 671 NE2 HIS A 113 -10.800 9.317 2.347 1.00 0.73 N ATOM 0 H HIS A 113 -8.090 4.903 1.813 1.00 0.16 H new ATOM 0 HA HIS A 113 -7.084 7.497 0.834 1.00 0.16 H new ATOM 0 HB2 HIS A 113 -7.931 6.746 3.648 1.00 0.21 H new ATOM 0 HB3 HIS A 113 -6.840 8.079 3.323 1.00 0.21 H new ATOM 0 HD2 HIS A 113 -10.611 7.144 2.564 1.00 0.75 H new ATOM 0 HE1 HIS A 113 -10.127 11.343 2.251 1.00 1.47 H new ATOM 0 HE2 HIS A 113 -11.805 9.433 2.214 1.00 0.73 H new ATOM 680 N ILE A 114 -4.775 7.056 2.094 1.00 0.15 N ATOM 681 CA ILE A 114 -3.393 6.620 2.300 1.00 0.17 C ATOM 682 C ILE A 114 -3.274 5.723 3.551 1.00 0.16 C ATOM 683 O ILE A 114 -2.598 4.691 3.537 1.00 0.26 O ATOM 684 CB ILE A 114 -2.431 7.835 2.441 1.00 0.18 C ATOM 685 CG1 ILE A 114 -2.802 8.700 3.653 1.00 0.18 C ATOM 686 CG2 ILE A 114 -2.450 8.682 1.173 1.00 0.22 C ATOM 687 CD1 ILE A 114 -1.851 9.854 3.890 1.00 0.23 C ATOM 0 H ILE A 114 -4.901 8.068 2.105 1.00 0.15 H new ATOM 0 HA ILE A 114 -3.105 6.044 1.420 1.00 0.17 H new ATOM 0 HB ILE A 114 -1.425 7.445 2.594 1.00 0.18 H new ATOM 0 HG12 ILE A 114 -3.809 9.093 3.513 1.00 0.18 H new ATOM 0 HG13 ILE A 114 -2.826 8.072 4.543 1.00 0.18 H new ATOM 0 HG21 ILE A 114 -1.772 9.527 1.290 1.00 0.22 H new ATOM 0 HG22 ILE A 114 -2.131 8.075 0.325 1.00 0.22 H new ATOM 0 HG23 ILE A 114 -3.461 9.050 0.996 1.00 0.22 H new ATOM 0 HD11 ILE A 114 -2.177 10.420 4.762 1.00 0.23 H new ATOM 0 HD12 ILE A 114 -0.846 9.468 4.062 1.00 0.23 H new ATOM 0 HD13 ILE A 114 -1.845 10.506 3.016 1.00 0.23 H new ATOM 699 N SER A 115 -3.950 6.124 4.621 1.00 0.14 N ATOM 700 CA SER A 115 -3.897 5.425 5.900 1.00 0.20 C ATOM 701 C SER A 115 -4.691 4.114 5.892 1.00 0.18 C ATOM 702 O SER A 115 -4.402 3.206 6.674 1.00 0.27 O ATOM 703 CB SER A 115 -4.421 6.359 6.984 1.00 0.29 C ATOM 704 OG SER A 115 -5.579 7.041 6.530 1.00 1.50 O ATOM 0 H SER A 115 -4.553 6.947 4.626 1.00 0.14 H new ATOM 0 HA SER A 115 -2.860 5.152 6.097 1.00 0.20 H new ATOM 0 HB2 SER A 115 -4.656 5.788 7.883 1.00 0.29 H new ATOM 0 HB3 SER A 115 -3.650 7.080 7.256 1.00 0.29 H new ATOM 0 HG SER A 115 -5.906 7.636 7.236 1.00 1.50 H new ATOM 710 N GLU A 116 -5.677 4.004 5.002 1.00 0.14 N ATOM 711 CA GLU A 116 -6.474 2.776 4.886 1.00 0.13 C ATOM 712 C GLU A 116 -5.663 1.682 4.201 1.00 0.11 C ATOM 713 O GLU A 116 -6.140 0.558 3.991 1.00 0.15 O ATOM 714 CB GLU A 116 -7.764 3.038 4.108 1.00 0.20 C ATOM 715 CG GLU A 116 -8.730 3.965 4.825 1.00 0.36 C ATOM 716 CD GLU A 116 -9.190 3.409 6.159 1.00 0.47 C ATOM 717 OE1 GLU A 116 -10.124 2.577 6.177 1.00 0.53 O ATOM 718 OE2 GLU A 116 -8.628 3.805 7.198 1.00 0.80 O ATOM 0 H GLU A 116 -5.944 4.744 4.353 1.00 0.14 H new ATOM 0 HA GLU A 116 -6.738 2.445 5.890 1.00 0.13 H new ATOM 0 HB2 GLU A 116 -7.513 3.468 3.139 1.00 0.20 H new ATOM 0 HB3 GLU A 116 -8.261 2.087 3.915 1.00 0.20 H new ATOM 0 HG2 GLU A 116 -8.251 4.931 4.984 1.00 0.36 H new ATOM 0 HG3 GLU A 116 -9.598 4.141 4.190 1.00 0.36 H new ATOM 725 N ILE A 117 -4.441 2.046 3.843 1.00 0.11 N ATOM 726 CA ILE A 117 -3.484 1.137 3.255 1.00 0.12 C ATOM 727 C ILE A 117 -2.344 0.903 4.235 1.00 0.16 C ATOM 728 O ILE A 117 -1.633 1.839 4.597 1.00 0.26 O ATOM 729 CB ILE A 117 -2.894 1.728 1.962 1.00 0.12 C ATOM 730 CG1 ILE A 117 -4.008 2.120 0.993 1.00 0.12 C ATOM 731 CG2 ILE A 117 -1.936 0.740 1.310 1.00 0.16 C ATOM 732 CD1 ILE A 117 -3.535 2.982 -0.158 1.00 0.14 C ATOM 0 H ILE A 117 -4.087 2.996 3.957 1.00 0.11 H new ATOM 0 HA ILE A 117 -3.996 0.202 3.025 1.00 0.12 H new ATOM 0 HB ILE A 117 -2.334 2.627 2.220 1.00 0.12 H new ATOM 0 HG12 ILE A 117 -4.466 1.215 0.594 1.00 0.12 H new ATOM 0 HG13 ILE A 117 -4.784 2.655 1.541 1.00 0.12 H new ATOM 0 HG21 ILE A 117 -1.529 1.176 0.397 1.00 0.16 H new ATOM 0 HG22 ILE A 117 -1.122 0.514 1.999 1.00 0.16 H new ATOM 0 HG23 ILE A 117 -2.470 -0.178 1.067 1.00 0.16 H new ATOM 0 HD11 ILE A 117 -4.379 3.221 -0.804 1.00 0.14 H new ATOM 0 HD12 ILE A 117 -3.104 3.904 0.231 1.00 0.14 H new ATOM 0 HD13 ILE A 117 -2.781 2.442 -0.731 1.00 0.14 H new ATOM 744 N LYS A 118 -2.177 -0.322 4.683 1.00 0.20 N ATOM 745 CA LYS A 118 -1.072 -0.644 5.562 1.00 0.26 C ATOM 746 C LYS A 118 0.007 -1.378 4.776 1.00 0.17 C ATOM 747 O LYS A 118 -0.210 -2.490 4.314 1.00 0.19 O ATOM 748 CB LYS A 118 -1.564 -1.522 6.721 1.00 0.41 C ATOM 749 CG LYS A 118 -1.096 -1.091 8.111 1.00 0.53 C ATOM 750 CD LYS A 118 0.404 -1.268 8.323 1.00 0.35 C ATOM 751 CE LYS A 118 1.199 -0.052 7.871 1.00 0.71 C ATOM 752 NZ LYS A 118 0.786 1.187 8.588 1.00 1.01 N ATOM 0 H LYS A 118 -2.787 -1.107 4.456 1.00 0.20 H new ATOM 0 HA LYS A 118 -0.656 0.277 5.970 1.00 0.26 H new ATOM 0 HB2 LYS A 118 -2.654 -1.533 6.710 1.00 0.41 H new ATOM 0 HB3 LYS A 118 -1.233 -2.546 6.545 1.00 0.41 H new ATOM 0 HG2 LYS A 118 -1.357 -0.044 8.267 1.00 0.53 H new ATOM 0 HG3 LYS A 118 -1.633 -1.669 8.863 1.00 0.53 H new ATOM 0 HD2 LYS A 118 0.600 -1.455 9.379 1.00 0.35 H new ATOM 0 HD3 LYS A 118 0.745 -2.146 7.775 1.00 0.35 H new ATOM 0 HE2 LYS A 118 2.261 -0.231 8.040 1.00 0.71 H new ATOM 0 HE3 LYS A 118 1.066 0.089 6.798 1.00 0.71 H new ATOM 0 HZ1 LYS A 118 1.585 1.853 8.619 1.00 1.01 H new ATOM 0 HZ2 LYS A 118 -0.013 1.627 8.088 1.00 1.01 H new ATOM 0 HZ3 LYS A 118 0.497 0.947 9.558 1.00 1.01 H new ATOM 766 N LEU A 119 1.162 -0.753 4.616 1.00 0.20 N ATOM 767 CA LEU A 119 2.293 -1.424 3.993 1.00 0.19 C ATOM 768 C LEU A 119 3.257 -1.898 5.067 1.00 0.17 C ATOM 769 O LEU A 119 3.691 -1.115 5.913 1.00 0.19 O ATOM 770 CB LEU A 119 3.008 -0.512 2.979 1.00 0.27 C ATOM 771 CG LEU A 119 2.327 -0.391 1.604 1.00 0.26 C ATOM 772 CD1 LEU A 119 3.179 0.417 0.631 1.00 0.69 C ATOM 773 CD2 LEU A 119 2.055 -1.767 1.031 1.00 0.73 C ATOM 0 H LEU A 119 1.341 0.209 4.905 1.00 0.20 H new ATOM 0 HA LEU A 119 1.919 -2.285 3.439 1.00 0.19 H new ATOM 0 HB2 LEU A 119 3.095 0.485 3.411 1.00 0.27 H new ATOM 0 HB3 LEU A 119 4.021 -0.885 2.832 1.00 0.27 H new ATOM 0 HG LEU A 119 1.382 0.134 1.745 1.00 0.26 H new ATOM 0 HD11 LEU A 119 2.669 0.483 -0.330 1.00 0.69 H new ATOM 0 HD12 LEU A 119 3.334 1.420 1.029 1.00 0.69 H new ATOM 0 HD13 LEU A 119 4.143 -0.074 0.497 1.00 0.69 H new ATOM 0 HD21 LEU A 119 1.573 -1.667 0.058 1.00 0.73 H new ATOM 0 HD22 LEU A 119 2.996 -2.306 0.917 1.00 0.73 H new ATOM 0 HD23 LEU A 119 1.400 -2.319 1.705 1.00 0.73 H new ATOM 785 N LEU A 120 3.542 -3.192 5.065 1.00 0.16 N ATOM 786 CA LEU A 120 4.462 -3.769 6.030 1.00 0.15 C ATOM 787 C LEU A 120 5.612 -4.459 5.315 1.00 0.18 C ATOM 788 O LEU A 120 5.402 -5.207 4.357 1.00 0.23 O ATOM 789 CB LEU A 120 3.757 -4.776 6.949 1.00 0.17 C ATOM 790 CG LEU A 120 2.538 -4.249 7.710 1.00 0.18 C ATOM 791 CD1 LEU A 120 1.267 -4.440 6.896 1.00 0.21 C ATOM 792 CD2 LEU A 120 2.415 -4.935 9.060 1.00 0.22 C ATOM 0 H LEU A 120 3.148 -3.862 4.404 1.00 0.16 H new ATOM 0 HA LEU A 120 4.846 -2.954 6.643 1.00 0.15 H new ATOM 0 HB2 LEU A 120 3.444 -5.630 6.348 1.00 0.17 H new ATOM 0 HB3 LEU A 120 4.482 -5.145 7.674 1.00 0.17 H new ATOM 0 HG LEU A 120 2.677 -3.181 7.877 1.00 0.18 H new ATOM 0 HD11 LEU A 120 0.414 -4.058 7.458 1.00 0.21 H new ATOM 0 HD12 LEU A 120 1.353 -3.898 5.954 1.00 0.21 H new ATOM 0 HD13 LEU A 120 1.121 -5.501 6.692 1.00 0.21 H new ATOM 0 HD21 LEU A 120 1.543 -4.548 9.587 1.00 0.22 H new ATOM 0 HD22 LEU A 120 2.303 -6.009 8.913 1.00 0.22 H new ATOM 0 HD23 LEU A 120 3.311 -4.741 9.650 1.00 0.22 H new ATOM 804 N LEU A 121 6.820 -4.205 5.786 1.00 0.19 N ATOM 805 CA LEU A 121 8.001 -4.849 5.237 1.00 0.25 C ATOM 806 C LEU A 121 8.632 -5.741 6.292 1.00 0.33 C ATOM 807 O LEU A 121 9.154 -5.251 7.293 1.00 0.37 O ATOM 808 CB LEU A 121 9.020 -3.813 4.750 1.00 0.29 C ATOM 809 CG LEU A 121 10.368 -4.391 4.299 1.00 0.53 C ATOM 810 CD1 LEU A 121 10.186 -5.364 3.146 1.00 1.36 C ATOM 811 CD2 LEU A 121 11.325 -3.277 3.907 1.00 1.18 C ATOM 0 H LEU A 121 7.010 -3.556 6.549 1.00 0.19 H new ATOM 0 HA LEU A 121 7.698 -5.452 4.381 1.00 0.25 H new ATOM 0 HB2 LEU A 121 8.583 -3.259 3.919 1.00 0.29 H new ATOM 0 HB3 LEU A 121 9.199 -3.097 5.552 1.00 0.29 H new ATOM 0 HG LEU A 121 10.797 -4.937 5.140 1.00 0.53 H new ATOM 0 HD11 LEU A 121 11.157 -5.759 2.846 1.00 1.36 H new ATOM 0 HD12 LEU A 121 9.542 -6.185 3.461 1.00 1.36 H new ATOM 0 HD13 LEU A 121 9.728 -4.847 2.303 1.00 1.36 H new ATOM 0 HD21 LEU A 121 12.275 -3.708 3.590 1.00 1.18 H new ATOM 0 HD22 LEU A 121 10.896 -2.701 3.087 1.00 1.18 H new ATOM 0 HD23 LEU A 121 11.491 -2.622 4.762 1.00 1.18 H new ATOM 823 N LYS A 122 8.547 -7.047 6.072 1.00 0.43 N ATOM 824 CA LYS A 122 9.125 -8.034 6.984 1.00 0.54 C ATOM 825 C LYS A 122 8.456 -7.943 8.357 1.00 0.44 C ATOM 826 O LYS A 122 9.078 -8.197 9.390 1.00 0.52 O ATOM 827 CB LYS A 122 10.641 -7.820 7.106 1.00 0.71 C ATOM 828 CG LYS A 122 11.407 -9.053 7.553 1.00 1.20 C ATOM 829 CD LYS A 122 11.340 -10.151 6.506 1.00 1.39 C ATOM 830 CE LYS A 122 12.190 -11.345 6.896 1.00 2.05 C ATOM 831 NZ LYS A 122 12.174 -12.393 5.846 1.00 2.47 N ATOM 0 H LYS A 122 8.079 -7.453 5.262 1.00 0.43 H new ATOM 0 HA LYS A 122 8.948 -9.031 6.581 1.00 0.54 H new ATOM 0 HB2 LYS A 122 11.030 -7.494 6.141 1.00 0.71 H new ATOM 0 HB3 LYS A 122 10.827 -7.013 7.814 1.00 0.71 H new ATOM 0 HG2 LYS A 122 12.448 -8.789 7.741 1.00 1.20 H new ATOM 0 HG3 LYS A 122 10.996 -9.419 8.494 1.00 1.20 H new ATOM 0 HD2 LYS A 122 10.305 -10.467 6.375 1.00 1.39 H new ATOM 0 HD3 LYS A 122 11.678 -9.761 5.546 1.00 1.39 H new ATOM 0 HE2 LYS A 122 13.216 -11.020 7.071 1.00 2.05 H new ATOM 0 HE3 LYS A 122 11.823 -11.763 7.834 1.00 2.05 H new ATOM 0 HZ1 LYS A 122 12.765 -13.194 6.146 1.00 2.47 H new ATOM 0 HZ2 LYS A 122 11.198 -12.720 5.697 1.00 2.47 H new ATOM 0 HZ3 LYS A 122 12.547 -12.001 4.958 1.00 2.47 H new ATOM 845 N GLY A 123 7.181 -7.575 8.358 1.00 0.36 N ATOM 846 CA GLY A 123 6.444 -7.440 9.600 1.00 0.39 C ATOM 847 C GLY A 123 6.598 -6.064 10.225 1.00 0.35 C ATOM 848 O GLY A 123 5.964 -5.759 11.237 1.00 0.47 O ATOM 0 H GLY A 123 6.642 -7.367 7.517 1.00 0.36 H new ATOM 0 HA2 GLY A 123 5.388 -7.634 9.414 1.00 0.39 H new ATOM 0 HA3 GLY A 123 6.788 -8.196 10.306 1.00 0.39 H new ATOM 852 N LYS A 124 7.443 -5.233 9.627 1.00 0.26 N ATOM 853 CA LYS A 124 7.673 -3.884 10.124 1.00 0.29 C ATOM 854 C LYS A 124 6.601 -2.937 9.601 1.00 0.23 C ATOM 855 O LYS A 124 6.378 -2.844 8.392 1.00 0.21 O ATOM 856 CB LYS A 124 9.064 -3.389 9.713 1.00 0.37 C ATOM 857 CG LYS A 124 9.372 -1.964 10.151 1.00 0.46 C ATOM 858 CD LYS A 124 9.430 -1.839 11.664 1.00 0.53 C ATOM 859 CE LYS A 124 9.645 -0.398 12.098 1.00 1.36 C ATOM 860 NZ LYS A 124 10.943 0.145 11.616 1.00 1.94 N ATOM 0 H LYS A 124 7.982 -5.472 8.794 1.00 0.26 H new ATOM 0 HA LYS A 124 7.621 -3.905 11.213 1.00 0.29 H new ATOM 0 HB2 LYS A 124 9.815 -4.057 10.135 1.00 0.37 H new ATOM 0 HB3 LYS A 124 9.154 -3.452 8.629 1.00 0.37 H new ATOM 0 HG2 LYS A 124 10.324 -1.650 9.724 1.00 0.46 H new ATOM 0 HG3 LYS A 124 8.610 -1.291 9.760 1.00 0.46 H new ATOM 0 HD2 LYS A 124 8.503 -2.216 12.097 1.00 0.53 H new ATOM 0 HD3 LYS A 124 10.238 -2.460 12.050 1.00 0.53 H new ATOM 0 HE2 LYS A 124 8.831 0.220 11.718 1.00 1.36 H new ATOM 0 HE3 LYS A 124 9.609 -0.339 13.186 1.00 1.36 H new ATOM 0 HZ1 LYS A 124 11.118 1.070 12.058 1.00 1.94 H new ATOM 0 HZ2 LYS A 124 11.709 -0.511 11.870 1.00 1.94 H new ATOM 0 HZ3 LYS A 124 10.911 0.256 10.582 1.00 1.94 H new ATOM 874 N VAL A 125 5.940 -2.250 10.519 1.00 0.24 N ATOM 875 CA VAL A 125 4.911 -1.286 10.167 1.00 0.21 C ATOM 876 C VAL A 125 5.532 -0.038 9.548 1.00 0.22 C ATOM 877 O VAL A 125 6.249 0.711 10.213 1.00 0.30 O ATOM 878 CB VAL A 125 4.072 -0.888 11.401 1.00 0.24 C ATOM 879 CG1 VAL A 125 3.072 0.208 11.056 1.00 0.26 C ATOM 880 CG2 VAL A 125 3.353 -2.102 11.969 1.00 0.27 C ATOM 0 H VAL A 125 6.100 -2.344 11.522 1.00 0.24 H new ATOM 0 HA VAL A 125 4.254 -1.760 9.437 1.00 0.21 H new ATOM 0 HB VAL A 125 4.752 -0.498 12.158 1.00 0.24 H new ATOM 0 HG11 VAL A 125 2.496 0.467 11.944 1.00 0.26 H new ATOM 0 HG12 VAL A 125 3.606 1.089 10.700 1.00 0.26 H new ATOM 0 HG13 VAL A 125 2.398 -0.147 10.277 1.00 0.26 H new ATOM 0 HG21 VAL A 125 2.766 -1.804 12.838 1.00 0.27 H new ATOM 0 HG22 VAL A 125 2.691 -2.521 11.211 1.00 0.27 H new ATOM 0 HG23 VAL A 125 4.085 -2.853 12.266 1.00 0.27 H new ATOM 890 N LEU A 126 5.276 0.164 8.266 1.00 0.20 N ATOM 891 CA LEU A 126 5.743 1.353 7.578 1.00 0.22 C ATOM 892 C LEU A 126 4.730 2.472 7.768 1.00 0.24 C ATOM 893 O LEU A 126 3.522 2.230 7.734 1.00 0.31 O ATOM 894 CB LEU A 126 5.945 1.061 6.089 1.00 0.22 C ATOM 895 CG LEU A 126 6.749 -0.206 5.776 1.00 0.22 C ATOM 896 CD1 LEU A 126 6.977 -0.342 4.281 1.00 0.30 C ATOM 897 CD2 LEU A 126 8.073 -0.202 6.523 1.00 0.23 C ATOM 0 H LEU A 126 4.746 -0.482 7.681 1.00 0.20 H new ATOM 0 HA LEU A 126 6.701 1.661 7.996 1.00 0.22 H new ATOM 0 HB2 LEU A 126 4.967 0.978 5.615 1.00 0.22 H new ATOM 0 HB3 LEU A 126 6.448 1.913 5.633 1.00 0.22 H new ATOM 0 HG LEU A 126 6.171 -1.067 6.112 1.00 0.22 H new ATOM 0 HD11 LEU A 126 7.549 -1.248 4.081 1.00 0.30 H new ATOM 0 HD12 LEU A 126 6.016 -0.400 3.770 1.00 0.30 H new ATOM 0 HD13 LEU A 126 7.530 0.524 3.917 1.00 0.30 H new ATOM 0 HD21 LEU A 126 8.627 -1.110 6.286 1.00 0.23 H new ATOM 0 HD22 LEU A 126 8.657 0.668 6.223 1.00 0.23 H new ATOM 0 HD23 LEU A 126 7.885 -0.161 7.596 1.00 0.23 H new ATOM 909 N HIS A 127 5.212 3.688 7.979 1.00 0.24 N ATOM 910 CA HIS A 127 4.322 4.812 8.253 1.00 0.25 C ATOM 911 C HIS A 127 3.800 5.420 6.960 1.00 0.22 C ATOM 912 O HIS A 127 4.355 5.166 5.891 1.00 0.28 O ATOM 913 CB HIS A 127 5.019 5.889 9.090 1.00 0.28 C ATOM 914 CG HIS A 127 5.426 5.422 10.459 1.00 0.74 C ATOM 915 ND1 HIS A 127 4.632 5.576 11.577 1.00 1.35 N ATOM 916 CD2 HIS A 127 6.548 4.795 10.886 1.00 1.31 C ATOM 917 CE1 HIS A 127 5.246 5.063 12.626 1.00 1.67 C ATOM 918 NE2 HIS A 127 6.409 4.583 12.233 1.00 1.62 N ATOM 0 H HIS A 127 6.205 3.923 7.967 1.00 0.24 H new ATOM 0 HA HIS A 127 3.480 4.424 8.826 1.00 0.25 H new ATOM 0 HB2 HIS A 127 5.904 6.235 8.556 1.00 0.28 H new ATOM 0 HB3 HIS A 127 4.353 6.746 9.191 1.00 0.28 H new ATOM 0 HD2 HIS A 127 7.395 4.514 10.278 1.00 1.31 H new ATOM 0 HE1 HIS A 127 4.861 5.040 13.635 1.00 1.67 H new ATOM 0 HE2 HIS A 127 7.095 4.127 12.835 1.00 1.62 H new ATOM 927 N ASP A 128 2.741 6.215 7.072 1.00 0.24 N ATOM 928 CA ASP A 128 2.073 6.814 5.915 1.00 0.25 C ATOM 929 C ASP A 128 3.064 7.439 4.924 1.00 0.20 C ATOM 930 O ASP A 128 2.978 7.174 3.730 1.00 0.22 O ATOM 931 CB ASP A 128 1.030 7.854 6.366 1.00 0.32 C ATOM 932 CG ASP A 128 1.605 8.971 7.218 1.00 0.35 C ATOM 933 OD1 ASP A 128 1.898 8.729 8.411 1.00 0.45 O ATOM 934 OD2 ASP A 128 1.762 10.099 6.704 1.00 0.42 O ATOM 0 H ASP A 128 2.319 6.464 7.967 1.00 0.24 H new ATOM 0 HA ASP A 128 1.563 6.006 5.390 1.00 0.25 H new ATOM 0 HB2 ASP A 128 0.559 8.288 5.484 1.00 0.32 H new ATOM 0 HB3 ASP A 128 0.246 7.348 6.929 1.00 0.32 H new ATOM 939 N ASN A 129 4.020 8.232 5.412 1.00 0.19 N ATOM 940 CA ASN A 129 4.930 8.965 4.521 1.00 0.19 C ATOM 941 C ASN A 129 6.393 8.519 4.642 1.00 0.17 C ATOM 942 O ASN A 129 7.307 9.316 4.424 1.00 0.22 O ATOM 943 CB ASN A 129 4.818 10.482 4.748 1.00 0.28 C ATOM 944 CG ASN A 129 5.213 10.916 6.151 1.00 1.11 C ATOM 945 OD1 ASN A 129 6.375 11.217 6.421 1.00 1.91 O ATOM 946 ND2 ASN A 129 4.250 10.956 7.053 1.00 1.48 N ATOM 0 H ASN A 129 4.186 8.384 6.407 1.00 0.19 H new ATOM 0 HA ASN A 129 4.612 8.725 3.507 1.00 0.19 H new ATOM 0 HB2 ASN A 129 5.451 10.997 4.025 1.00 0.28 H new ATOM 0 HB3 ASN A 129 3.792 10.796 4.554 1.00 0.28 H new ATOM 0 HD21 ASN A 129 4.458 11.243 8.009 1.00 1.48 H new ATOM 0 HD22 ASN A 129 3.297 10.700 6.794 1.00 1.48 H new ATOM 953 N LEU A 130 6.624 7.257 4.985 1.00 0.15 N ATOM 954 CA LEU A 130 7.993 6.748 5.119 1.00 0.19 C ATOM 955 C LEU A 130 8.713 6.760 3.759 1.00 0.15 C ATOM 956 O LEU A 130 8.180 6.278 2.763 1.00 0.14 O ATOM 957 CB LEU A 130 7.975 5.326 5.699 1.00 0.25 C ATOM 958 CG LEU A 130 9.065 5.009 6.738 1.00 0.33 C ATOM 959 CD1 LEU A 130 10.455 5.248 6.176 1.00 0.33 C ATOM 960 CD2 LEU A 130 8.862 5.828 8.003 1.00 0.39 C ATOM 0 H LEU A 130 5.894 6.571 5.174 1.00 0.15 H new ATOM 0 HA LEU A 130 8.538 7.400 5.801 1.00 0.19 H new ATOM 0 HB2 LEU A 130 7.002 5.154 6.159 1.00 0.25 H new ATOM 0 HB3 LEU A 130 8.068 4.618 4.876 1.00 0.25 H new ATOM 0 HG LEU A 130 8.979 3.952 6.988 1.00 0.33 H new ATOM 0 HD11 LEU A 130 11.200 5.014 6.936 1.00 0.33 H new ATOM 0 HD12 LEU A 130 10.611 4.609 5.307 1.00 0.33 H new ATOM 0 HD13 LEU A 130 10.553 6.293 5.881 1.00 0.33 H new ATOM 0 HD21 LEU A 130 9.645 5.586 8.722 1.00 0.39 H new ATOM 0 HD22 LEU A 130 8.907 6.890 7.760 1.00 0.39 H new ATOM 0 HD23 LEU A 130 7.888 5.596 8.434 1.00 0.39 H new ATOM 972 N PHE A 131 9.916 7.335 3.728 1.00 0.19 N ATOM 973 CA PHE A 131 10.733 7.376 2.510 1.00 0.19 C ATOM 974 C PHE A 131 11.345 6.010 2.216 1.00 0.19 C ATOM 975 O PHE A 131 11.768 5.298 3.129 1.00 0.21 O ATOM 976 CB PHE A 131 11.857 8.407 2.651 1.00 0.22 C ATOM 977 CG PHE A 131 11.434 9.827 2.402 1.00 0.28 C ATOM 978 CD1 PHE A 131 10.684 10.522 3.336 1.00 0.38 C ATOM 979 CD2 PHE A 131 11.798 10.469 1.228 1.00 0.35 C ATOM 980 CE1 PHE A 131 10.303 11.830 3.105 1.00 0.47 C ATOM 981 CE2 PHE A 131 11.420 11.777 0.991 1.00 0.44 C ATOM 982 CZ PHE A 131 10.671 12.458 1.930 1.00 0.47 C ATOM 0 H PHE A 131 10.350 7.782 4.536 1.00 0.19 H new ATOM 0 HA PHE A 131 10.079 7.659 1.685 1.00 0.19 H new ATOM 0 HB2 PHE A 131 12.274 8.336 3.656 1.00 0.22 H new ATOM 0 HB3 PHE A 131 12.656 8.152 1.955 1.00 0.22 H new ATOM 0 HD1 PHE A 131 10.393 10.036 4.256 1.00 0.38 H new ATOM 0 HD2 PHE A 131 12.384 9.941 0.490 1.00 0.35 H new ATOM 0 HE1 PHE A 131 9.718 12.361 3.842 1.00 0.47 H new ATOM 0 HE2 PHE A 131 11.710 12.266 0.073 1.00 0.44 H new ATOM 0 HZ PHE A 131 10.373 13.480 1.747 1.00 0.47 H new ATOM 992 N LEU A 132 11.424 5.662 0.934 1.00 0.19 N ATOM 993 CA LEU A 132 11.919 4.352 0.527 1.00 0.21 C ATOM 994 C LEU A 132 13.427 4.237 0.718 1.00 0.23 C ATOM 995 O LEU A 132 13.976 3.138 0.699 1.00 0.26 O ATOM 996 CB LEU A 132 11.537 4.055 -0.927 1.00 0.23 C ATOM 997 CG LEU A 132 10.181 3.369 -1.119 1.00 0.21 C ATOM 998 CD1 LEU A 132 9.052 4.203 -0.536 1.00 0.16 C ATOM 999 CD2 LEU A 132 9.927 3.096 -2.593 1.00 0.28 C ATOM 0 H LEU A 132 11.152 6.269 0.161 1.00 0.19 H new ATOM 0 HA LEU A 132 11.446 3.609 1.170 1.00 0.21 H new ATOM 0 HB2 LEU A 132 11.534 4.992 -1.484 1.00 0.23 H new ATOM 0 HB3 LEU A 132 12.310 3.425 -1.367 1.00 0.23 H new ATOM 0 HG LEU A 132 10.210 2.420 -0.584 1.00 0.21 H new ATOM 0 HD11 LEU A 132 8.103 3.688 -0.689 1.00 0.16 H new ATOM 0 HD12 LEU A 132 9.219 4.346 0.531 1.00 0.16 H new ATOM 0 HD13 LEU A 132 9.023 5.173 -1.032 1.00 0.16 H new ATOM 0 HD21 LEU A 132 8.959 2.608 -2.711 1.00 0.28 H new ATOM 0 HD22 LEU A 132 9.929 4.037 -3.143 1.00 0.28 H new ATOM 0 HD23 LEU A 132 10.711 2.447 -2.983 1.00 0.28 H new ATOM 1011 N SER A 133 14.092 5.370 0.901 1.00 0.24 N ATOM 1012 CA SER A 133 15.526 5.380 1.148 1.00 0.28 C ATOM 1013 C SER A 133 15.820 4.966 2.585 1.00 0.32 C ATOM 1014 O SER A 133 16.934 4.556 2.910 1.00 0.39 O ATOM 1015 CB SER A 133 16.105 6.766 0.876 1.00 0.33 C ATOM 1016 OG SER A 133 15.831 7.184 -0.450 1.00 1.25 O ATOM 0 H SER A 133 13.660 6.294 0.883 1.00 0.24 H new ATOM 0 HA SER A 133 15.995 4.665 0.472 1.00 0.28 H new ATOM 0 HB2 SER A 133 15.684 7.483 1.581 1.00 0.33 H new ATOM 0 HB3 SER A 133 17.182 6.752 1.040 1.00 0.33 H new ATOM 0 HG SER A 133 16.211 8.075 -0.597 1.00 1.25 H new ATOM 1022 N ASP A 134 14.814 5.087 3.445 1.00 0.32 N ATOM 1023 CA ASP A 134 14.940 4.658 4.832 1.00 0.38 C ATOM 1024 C ASP A 134 14.547 3.191 4.935 1.00 0.39 C ATOM 1025 O ASP A 134 15.074 2.440 5.754 1.00 0.49 O ATOM 1026 CB ASP A 134 14.047 5.515 5.738 1.00 0.40 C ATOM 1027 CG ASP A 134 14.286 5.266 7.218 1.00 1.12 C ATOM 1028 OD1 ASP A 134 15.166 5.941 7.802 1.00 1.33 O ATOM 1029 OD2 ASP A 134 13.587 4.416 7.812 1.00 1.93 O ATOM 0 H ASP A 134 13.903 5.478 3.205 1.00 0.32 H new ATOM 0 HA ASP A 134 15.972 4.781 5.159 1.00 0.38 H new ATOM 0 HB2 ASP A 134 14.223 6.568 5.520 1.00 0.40 H new ATOM 0 HB3 ASP A 134 13.002 5.311 5.506 1.00 0.40 H new ATOM 1034 N LEU A 135 13.616 2.796 4.076 1.00 0.34 N ATOM 1035 CA LEU A 135 13.173 1.411 3.990 1.00 0.36 C ATOM 1036 C LEU A 135 14.260 0.546 3.374 1.00 0.39 C ATOM 1037 O LEU A 135 14.652 -0.473 3.951 1.00 0.42 O ATOM 1038 CB LEU A 135 11.919 1.317 3.122 1.00 0.34 C ATOM 1039 CG LEU A 135 10.770 2.238 3.526 1.00 0.30 C ATOM 1040 CD1 LEU A 135 9.594 2.054 2.586 1.00 0.32 C ATOM 1041 CD2 LEU A 135 10.351 1.974 4.960 1.00 0.34 C ATOM 0 H LEU A 135 13.149 3.424 3.422 1.00 0.34 H new ATOM 0 HA LEU A 135 12.954 1.058 4.998 1.00 0.36 H new ATOM 0 HB2 LEU A 135 12.194 1.539 2.091 1.00 0.34 H new ATOM 0 HB3 LEU A 135 11.561 0.288 3.142 1.00 0.34 H new ATOM 0 HG LEU A 135 11.114 3.270 3.456 1.00 0.30 H new ATOM 0 HD11 LEU A 135 8.782 2.716 2.885 1.00 0.32 H new ATOM 0 HD12 LEU A 135 9.901 2.293 1.568 1.00 0.32 H new ATOM 0 HD13 LEU A 135 9.253 1.020 2.628 1.00 0.32 H new ATOM 0 HD21 LEU A 135 9.531 2.641 5.228 1.00 0.34 H new ATOM 0 HD22 LEU A 135 10.024 0.939 5.059 1.00 0.34 H new ATOM 0 HD23 LEU A 135 11.196 2.153 5.625 1.00 0.34 H new ATOM 1053 N LYS A 136 14.745 0.965 2.206 1.00 0.39 N ATOM 1054 CA LYS A 136 15.751 0.218 1.463 1.00 0.42 C ATOM 1055 C LYS A 136 15.246 -1.182 1.146 1.00 0.41 C ATOM 1056 O LYS A 136 15.857 -2.173 1.547 1.00 0.47 O ATOM 1057 CB LYS A 136 17.063 0.121 2.253 1.00 0.47 C ATOM 1058 CG LYS A 136 17.677 1.460 2.622 1.00 1.24 C ATOM 1059 CD LYS A 136 18.931 1.266 3.458 1.00 1.64 C ATOM 1060 CE LYS A 136 19.532 2.589 3.899 1.00 2.49 C ATOM 1061 NZ LYS A 136 20.741 2.391 4.741 1.00 2.87 N ATOM 0 H LYS A 136 14.451 1.830 1.752 1.00 0.39 H new ATOM 0 HA LYS A 136 15.942 0.754 0.533 1.00 0.42 H new ATOM 0 HB2 LYS A 136 16.881 -0.445 3.167 1.00 0.47 H new ATOM 0 HB3 LYS A 136 17.785 -0.446 1.665 1.00 0.47 H new ATOM 0 HG2 LYS A 136 17.921 2.016 1.716 1.00 1.24 H new ATOM 0 HG3 LYS A 136 16.953 2.057 3.177 1.00 1.24 H new ATOM 0 HD2 LYS A 136 18.692 0.666 4.336 1.00 1.64 H new ATOM 0 HD3 LYS A 136 19.668 0.707 2.881 1.00 1.64 H new ATOM 0 HE2 LYS A 136 19.793 3.181 3.021 1.00 2.49 H new ATOM 0 HE3 LYS A 136 18.789 3.158 4.458 1.00 2.49 H new ATOM 0 HZ1 LYS A 136 21.123 3.316 5.023 1.00 2.87 H new ATOM 0 HZ2 LYS A 136 20.487 1.848 5.591 1.00 2.87 H new ATOM 0 HZ3 LYS A 136 21.460 1.870 4.199 1.00 2.87 H new ATOM 1075 N VAL A 137 14.123 -1.266 0.440 1.00 0.37 N ATOM 1076 CA VAL A 137 13.553 -2.563 0.107 1.00 0.38 C ATOM 1077 C VAL A 137 14.411 -3.260 -0.936 1.00 0.43 C ATOM 1078 O VAL A 137 14.392 -2.909 -2.119 1.00 0.48 O ATOM 1079 CB VAL A 137 12.104 -2.461 -0.415 1.00 0.38 C ATOM 1080 CG1 VAL A 137 11.437 -3.827 -0.398 1.00 0.45 C ATOM 1081 CG2 VAL A 137 11.305 -1.453 0.397 1.00 0.47 C ATOM 0 H VAL A 137 13.598 -0.464 0.093 1.00 0.37 H new ATOM 0 HA VAL A 137 13.533 -3.142 1.030 1.00 0.38 H new ATOM 0 HB VAL A 137 12.133 -2.109 -1.446 1.00 0.38 H new ATOM 0 HG11 VAL A 137 10.416 -3.738 -0.769 1.00 0.45 H new ATOM 0 HG12 VAL A 137 11.996 -4.513 -1.035 1.00 0.45 H new ATOM 0 HG13 VAL A 137 11.420 -4.211 0.622 1.00 0.45 H new ATOM 0 HG21 VAL A 137 10.287 -1.399 0.010 1.00 0.47 H new ATOM 0 HG22 VAL A 137 11.280 -1.765 1.441 1.00 0.47 H new ATOM 0 HG23 VAL A 137 11.774 -0.472 0.322 1.00 0.47 H new ATOM 1091 N THR A 138 15.190 -4.220 -0.479 1.00 0.50 N ATOM 1092 CA THR A 138 16.029 -5.014 -1.354 1.00 0.60 C ATOM 1093 C THR A 138 15.192 -6.048 -2.098 1.00 0.55 C ATOM 1094 O THR A 138 14.212 -6.563 -1.564 1.00 0.51 O ATOM 1095 CB THR A 138 17.132 -5.724 -0.546 1.00 0.73 C ATOM 1096 OG1 THR A 138 16.563 -6.348 0.615 1.00 0.72 O ATOM 1097 CG2 THR A 138 18.215 -4.742 -0.126 1.00 0.88 C ATOM 0 H THR A 138 15.259 -4.471 0.507 1.00 0.50 H new ATOM 0 HA THR A 138 16.495 -4.345 -2.078 1.00 0.60 H new ATOM 0 HB THR A 138 17.586 -6.485 -1.181 1.00 0.73 H new ATOM 0 HG1 THR A 138 17.255 -6.458 1.300 1.00 0.72 H new ATOM 0 HG21 THR A 138 18.982 -5.268 0.443 1.00 0.88 H new ATOM 0 HG22 THR A 138 18.664 -4.294 -1.013 1.00 0.88 H new ATOM 0 HG23 THR A 138 17.776 -3.959 0.493 1.00 0.88 H new ATOM 1105 N PRO A 139 15.566 -6.340 -3.359 1.00 0.63 N ATOM 1106 CA PRO A 139 14.900 -7.355 -4.191 1.00 0.67 C ATOM 1107 C PRO A 139 14.738 -8.703 -3.486 1.00 0.63 C ATOM 1108 O PRO A 139 13.836 -9.477 -3.807 1.00 0.74 O ATOM 1109 CB PRO A 139 15.846 -7.497 -5.385 1.00 0.86 C ATOM 1110 CG PRO A 139 16.508 -6.171 -5.498 1.00 0.93 C ATOM 1111 CD PRO A 139 16.654 -5.663 -4.091 1.00 0.77 C ATOM 0 HA PRO A 139 13.884 -7.056 -4.450 1.00 0.67 H new ATOM 0 HB2 PRO A 139 16.574 -8.291 -5.221 1.00 0.86 H new ATOM 0 HB3 PRO A 139 15.301 -7.747 -6.295 1.00 0.86 H new ATOM 0 HG2 PRO A 139 17.480 -6.260 -5.984 1.00 0.93 H new ATOM 0 HG3 PRO A 139 15.911 -5.486 -6.101 1.00 0.93 H new ATOM 0 HD2 PRO A 139 17.631 -5.911 -3.675 1.00 0.77 H new ATOM 0 HD3 PRO A 139 16.554 -4.579 -4.044 1.00 0.77 H new ATOM 1119 N ALA A 140 15.615 -8.976 -2.526 1.00 0.64 N ATOM 1120 CA ALA A 140 15.571 -10.225 -1.774 1.00 0.72 C ATOM 1121 C ALA A 140 14.456 -10.207 -0.732 1.00 0.64 C ATOM 1122 O ALA A 140 14.019 -11.257 -0.257 1.00 0.77 O ATOM 1123 CB ALA A 140 16.913 -10.483 -1.107 1.00 0.89 C ATOM 0 H ALA A 140 16.368 -8.346 -2.249 1.00 0.64 H new ATOM 0 HA ALA A 140 15.360 -11.033 -2.475 1.00 0.72 H new ATOM 0 HB1 ALA A 140 16.868 -11.418 -0.549 1.00 0.89 H new ATOM 0 HB2 ALA A 140 17.690 -10.552 -1.868 1.00 0.89 H new ATOM 0 HB3 ALA A 140 17.144 -9.664 -0.426 1.00 0.89 H new ATOM 1129 N ASN A 141 13.998 -9.012 -0.383 1.00 0.54 N ATOM 1130 CA ASN A 141 12.932 -8.844 0.598 1.00 0.54 C ATOM 1131 C ASN A 141 11.814 -8.009 -0.004 1.00 0.42 C ATOM 1132 O ASN A 141 11.215 -7.171 0.665 1.00 0.42 O ATOM 1133 CB ASN A 141 13.453 -8.157 1.869 1.00 0.69 C ATOM 1134 CG ASN A 141 14.591 -8.913 2.533 1.00 0.82 C ATOM 1135 OD1 ASN A 141 14.365 -9.808 3.348 1.00 1.10 O ATOM 1136 ND2 ASN A 141 15.821 -8.540 2.215 1.00 1.02 N ATOM 0 H ASN A 141 14.352 -8.136 -0.769 1.00 0.54 H new ATOM 0 HA ASN A 141 12.557 -9.831 0.868 1.00 0.54 H new ATOM 0 HB2 ASN A 141 13.791 -7.151 1.619 1.00 0.69 H new ATOM 0 HB3 ASN A 141 12.633 -8.050 2.579 1.00 0.69 H new ATOM 0 HD21 ASN A 141 16.622 -8.999 2.650 1.00 1.02 H new ATOM 0 HD22 ASN A 141 15.968 -7.794 1.535 1.00 1.02 H new ATOM 1143 N SER A 142 11.531 -8.257 -1.273 1.00 0.36 N ATOM 1144 CA SER A 142 10.618 -7.421 -2.041 1.00 0.31 C ATOM 1145 C SER A 142 9.149 -7.725 -1.738 1.00 0.26 C ATOM 1146 O SER A 142 8.257 -7.008 -2.196 1.00 0.26 O ATOM 1147 CB SER A 142 10.894 -7.613 -3.531 1.00 0.37 C ATOM 1148 OG SER A 142 10.996 -8.992 -3.862 1.00 1.23 O ATOM 0 H SER A 142 11.924 -9.038 -1.798 1.00 0.36 H new ATOM 0 HA SER A 142 10.794 -6.385 -1.752 1.00 0.31 H new ATOM 0 HB2 SER A 142 10.095 -7.155 -4.113 1.00 0.37 H new ATOM 0 HB3 SER A 142 11.818 -7.102 -3.801 1.00 0.37 H new ATOM 0 HG SER A 142 11.939 -9.257 -3.871 1.00 1.23 H new ATOM 1154 N THR A 143 8.895 -8.784 -0.979 1.00 0.30 N ATOM 1155 CA THR A 143 7.528 -9.161 -0.651 1.00 0.31 C ATOM 1156 C THR A 143 6.952 -8.242 0.420 1.00 0.25 C ATOM 1157 O THR A 143 7.378 -8.266 1.577 1.00 0.34 O ATOM 1158 CB THR A 143 7.444 -10.622 -0.177 1.00 0.41 C ATOM 1159 OG1 THR A 143 8.047 -11.482 -1.155 1.00 0.48 O ATOM 1160 CG2 THR A 143 5.994 -11.036 0.044 1.00 0.45 C ATOM 0 H THR A 143 9.612 -9.392 -0.582 1.00 0.30 H new ATOM 0 HA THR A 143 6.940 -9.059 -1.563 1.00 0.31 H new ATOM 0 HB THR A 143 7.978 -10.710 0.769 1.00 0.41 H new ATOM 0 HG1 THR A 143 7.994 -12.412 -0.850 1.00 0.48 H new ATOM 0 HG21 THR A 143 5.959 -12.073 0.379 1.00 0.45 H new ATOM 0 HG22 THR A 143 5.544 -10.394 0.802 1.00 0.45 H new ATOM 0 HG23 THR A 143 5.441 -10.937 -0.890 1.00 0.45 H new ATOM 1168 N ILE A 144 5.987 -7.433 0.024 1.00 0.20 N ATOM 1169 CA ILE A 144 5.357 -6.491 0.928 1.00 0.18 C ATOM 1170 C ILE A 144 3.950 -6.956 1.269 1.00 0.18 C ATOM 1171 O ILE A 144 3.203 -7.396 0.392 1.00 0.24 O ATOM 1172 CB ILE A 144 5.266 -5.085 0.299 1.00 0.21 C ATOM 1173 CG1 ILE A 144 6.616 -4.656 -0.284 1.00 0.22 C ATOM 1174 CG2 ILE A 144 4.793 -4.067 1.327 1.00 0.27 C ATOM 1175 CD1 ILE A 144 7.724 -4.554 0.741 1.00 0.25 C ATOM 0 H ILE A 144 5.620 -7.411 -0.927 1.00 0.20 H new ATOM 0 HA ILE A 144 5.970 -6.441 1.828 1.00 0.18 H new ATOM 0 HB ILE A 144 4.539 -5.128 -0.512 1.00 0.21 H new ATOM 0 HG12 ILE A 144 6.911 -5.369 -1.053 1.00 0.22 H new ATOM 0 HG13 ILE A 144 6.498 -3.689 -0.774 1.00 0.22 H new ATOM 0 HG21 ILE A 144 4.735 -3.082 0.864 1.00 0.27 H new ATOM 0 HG22 ILE A 144 3.808 -4.353 1.695 1.00 0.27 H new ATOM 0 HG23 ILE A 144 5.497 -4.036 2.159 1.00 0.27 H new ATOM 0 HD11 ILE A 144 8.647 -4.245 0.250 1.00 0.25 H new ATOM 0 HD12 ILE A 144 7.453 -3.819 1.498 1.00 0.25 H new ATOM 0 HD13 ILE A 144 7.872 -5.525 1.214 1.00 0.25 H new ATOM 1187 N THR A 145 3.592 -6.867 2.533 1.00 0.14 N ATOM 1188 CA THR A 145 2.241 -7.174 2.948 1.00 0.14 C ATOM 1189 C THR A 145 1.414 -5.897 2.947 1.00 0.14 C ATOM 1190 O THR A 145 1.661 -4.993 3.744 1.00 0.19 O ATOM 1191 CB THR A 145 2.213 -7.799 4.356 1.00 0.17 C ATOM 1192 OG1 THR A 145 3.213 -8.827 4.454 1.00 0.21 O ATOM 1193 CG2 THR A 145 0.843 -8.393 4.655 1.00 0.19 C ATOM 0 H THR A 145 4.217 -6.585 3.289 1.00 0.14 H new ATOM 0 HA THR A 145 1.824 -7.897 2.247 1.00 0.14 H new ATOM 0 HB THR A 145 2.421 -7.015 5.084 1.00 0.17 H new ATOM 0 HG1 THR A 145 3.192 -9.220 5.352 1.00 0.21 H new ATOM 0 HG21 THR A 145 0.846 -8.829 5.654 1.00 0.19 H new ATOM 0 HG22 THR A 145 0.087 -7.609 4.603 1.00 0.19 H new ATOM 0 HG23 THR A 145 0.614 -9.167 3.922 1.00 0.19 H new ATOM 1201 N VAL A 146 0.457 -5.802 2.036 1.00 0.14 N ATOM 1202 CA VAL A 146 -0.379 -4.619 1.970 1.00 0.15 C ATOM 1203 C VAL A 146 -1.783 -4.923 2.484 1.00 0.15 C ATOM 1204 O VAL A 146 -2.536 -5.710 1.908 1.00 0.19 O ATOM 1205 CB VAL A 146 -0.425 -3.998 0.549 1.00 0.15 C ATOM 1206 CG1 VAL A 146 -1.040 -4.934 -0.472 1.00 0.16 C ATOM 1207 CG2 VAL A 146 -1.170 -2.679 0.574 1.00 0.20 C ATOM 0 H VAL A 146 0.244 -6.520 1.343 1.00 0.14 H new ATOM 0 HA VAL A 146 0.075 -3.871 2.619 1.00 0.15 H new ATOM 0 HB VAL A 146 0.606 -3.823 0.242 1.00 0.15 H new ATOM 0 HG11 VAL A 146 -1.048 -4.452 -1.449 1.00 0.16 H new ATOM 0 HG12 VAL A 146 -0.453 -5.851 -0.525 1.00 0.16 H new ATOM 0 HG13 VAL A 146 -2.062 -5.174 -0.177 1.00 0.16 H new ATOM 0 HG21 VAL A 146 -1.194 -2.256 -0.430 1.00 0.20 H new ATOM 0 HG22 VAL A 146 -2.190 -2.844 0.923 1.00 0.20 H new ATOM 0 HG23 VAL A 146 -0.663 -1.988 1.247 1.00 0.20 H new ATOM 1217 N MET A 147 -2.113 -4.318 3.604 1.00 0.17 N ATOM 1218 CA MET A 147 -3.407 -4.511 4.216 1.00 0.18 C ATOM 1219 C MET A 147 -4.297 -3.313 3.929 1.00 0.15 C ATOM 1220 O MET A 147 -4.173 -2.269 4.566 1.00 0.19 O ATOM 1221 CB MET A 147 -3.247 -4.704 5.727 1.00 0.24 C ATOM 1222 CG MET A 147 -2.390 -5.903 6.101 1.00 0.26 C ATOM 1223 SD MET A 147 -2.171 -6.071 7.884 1.00 0.95 S ATOM 1224 CE MET A 147 -1.215 -7.585 7.955 1.00 1.62 C ATOM 0 H MET A 147 -1.497 -3.684 4.112 1.00 0.17 H new ATOM 0 HA MET A 147 -3.872 -5.403 3.797 1.00 0.18 H new ATOM 0 HB2 MET A 147 -2.805 -3.804 6.155 1.00 0.24 H new ATOM 0 HB3 MET A 147 -4.233 -4.819 6.176 1.00 0.24 H new ATOM 0 HG2 MET A 147 -2.850 -6.810 5.708 1.00 0.26 H new ATOM 0 HG3 MET A 147 -1.413 -5.809 5.626 1.00 0.26 H new ATOM 0 HE1 MET A 147 -0.996 -7.829 8.995 1.00 1.62 H new ATOM 0 HE2 MET A 147 -1.786 -8.397 7.505 1.00 1.62 H new ATOM 0 HE3 MET A 147 -0.281 -7.452 7.409 1.00 1.62 H new ATOM 1234 N ILE A 148 -5.194 -3.468 2.968 1.00 0.12 N ATOM 1235 CA ILE A 148 -6.099 -2.393 2.592 1.00 0.09 C ATOM 1236 C ILE A 148 -7.534 -2.798 2.831 1.00 0.10 C ATOM 1237 O ILE A 148 -7.928 -3.921 2.506 1.00 0.14 O ATOM 1238 CB ILE A 148 -5.979 -2.011 1.107 1.00 0.11 C ATOM 1239 CG1 ILE A 148 -4.542 -1.665 0.747 1.00 0.12 C ATOM 1240 CG2 ILE A 148 -6.904 -0.844 0.806 1.00 0.19 C ATOM 1241 CD1 ILE A 148 -4.329 -1.421 -0.731 1.00 0.14 C ATOM 0 H ILE A 148 -5.315 -4.328 2.434 1.00 0.12 H new ATOM 0 HA ILE A 148 -5.818 -1.540 3.209 1.00 0.09 H new ATOM 0 HB ILE A 148 -6.274 -2.866 0.499 1.00 0.11 H new ATOM 0 HG12 ILE A 148 -4.242 -0.775 1.300 1.00 0.12 H new ATOM 0 HG13 ILE A 148 -3.890 -2.476 1.070 1.00 0.12 H new ATOM 0 HG21 ILE A 148 -6.818 -0.574 -0.247 1.00 0.19 H new ATOM 0 HG22 ILE A 148 -7.933 -1.129 1.025 1.00 0.19 H new ATOM 0 HG23 ILE A 148 -6.625 0.010 1.424 1.00 0.19 H new ATOM 0 HD11 ILE A 148 -3.282 -1.180 -0.913 1.00 0.14 H new ATOM 0 HD12 ILE A 148 -4.597 -2.317 -1.290 1.00 0.14 H new ATOM 0 HD13 ILE A 148 -4.955 -0.590 -1.056 1.00 0.14 H new ATOM 1253 N LYS A 149 -8.313 -1.885 3.376 1.00 0.12 N ATOM 1254 CA LYS A 149 -9.739 -2.111 3.535 1.00 0.16 C ATOM 1255 C LYS A 149 -10.508 -0.953 2.906 1.00 0.22 C ATOM 1256 O LYS A 149 -10.615 0.121 3.501 1.00 0.34 O ATOM 1257 CB LYS A 149 -10.103 -2.241 5.016 1.00 0.22 C ATOM 1258 CG LYS A 149 -9.166 -3.142 5.812 1.00 0.35 C ATOM 1259 CD LYS A 149 -9.111 -4.574 5.307 1.00 0.66 C ATOM 1260 CE LYS A 149 -10.477 -5.095 4.961 1.00 0.76 C ATOM 1261 NZ LYS A 149 -11.310 -5.360 6.163 1.00 1.18 N ATOM 0 H LYS A 149 -7.985 -0.981 3.716 1.00 0.12 H new ATOM 0 HA LYS A 149 -10.008 -3.041 3.035 1.00 0.16 H new ATOM 0 HB2 LYS A 149 -10.105 -1.249 5.467 1.00 0.22 H new ATOM 0 HB3 LYS A 149 -11.118 -2.630 5.097 1.00 0.22 H new ATOM 0 HG2 LYS A 149 -8.162 -2.719 5.785 1.00 0.35 H new ATOM 0 HG3 LYS A 149 -9.482 -3.147 6.855 1.00 0.35 H new ATOM 0 HD2 LYS A 149 -8.469 -4.625 4.428 1.00 0.66 H new ATOM 0 HD3 LYS A 149 -8.661 -5.211 6.068 1.00 0.66 H new ATOM 0 HE2 LYS A 149 -10.986 -4.373 4.323 1.00 0.76 H new ATOM 0 HE3 LYS A 149 -10.376 -6.014 4.384 1.00 0.76 H new ATOM 0 HZ1 LYS A 149 -12.241 -5.717 5.868 1.00 1.18 H new ATOM 0 HZ2 LYS A 149 -10.840 -6.069 6.761 1.00 1.18 H new ATOM 0 HZ3 LYS A 149 -11.432 -4.479 6.702 1.00 1.18 H new ATOM 1275 N PRO A 150 -11.031 -1.146 1.684 1.00 0.23 N ATOM 1276 CA PRO A 150 -11.759 -0.101 0.954 1.00 0.30 C ATOM 1277 C PRO A 150 -13.060 0.284 1.647 1.00 0.45 C ATOM 1278 O PRO A 150 -13.551 -0.438 2.520 1.00 0.78 O ATOM 1279 CB PRO A 150 -12.057 -0.741 -0.410 1.00 0.47 C ATOM 1280 CG PRO A 150 -11.161 -1.929 -0.493 1.00 0.44 C ATOM 1281 CD PRO A 150 -10.966 -2.395 0.919 1.00 0.29 C ATOM 0 HA PRO A 150 -11.179 0.819 0.887 1.00 0.30 H new ATOM 0 HB2 PRO A 150 -13.104 -1.033 -0.487 1.00 0.47 H new ATOM 0 HB3 PRO A 150 -11.860 -0.043 -1.223 1.00 0.47 H new ATOM 0 HG2 PRO A 150 -11.607 -2.713 -1.105 1.00 0.44 H new ATOM 0 HG3 PRO A 150 -10.208 -1.668 -0.954 1.00 0.44 H new ATOM 0 HD2 PRO A 150 -11.742 -3.097 1.224 1.00 0.29 H new ATOM 0 HD3 PRO A 150 -10.009 -2.900 1.050 1.00 0.29 H new