USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 785 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 19 GLN : amide:sc= -0.0102 K(o=-0.38,f=-3.7!) USER MOD Set 1.2: A 89 GLN : amide:sc= -0.37 K(o=-0.38,f=-4.4!) USER MOD Set 2.1: A 13 LYS NZ :NH3+ 168:sc= 0.875 (180deg=-1) USER MOD Set 2.2: A 39 TYR OH : rot 165:sc= 1.05 USER MOD Single : A 8 THR OG1 : rot 37:sc= 0.025 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0148 USER MOD Single : A 20 ASN : amide:sc= -0.255! K(o=-0.25!,f=-0.81) USER MOD Single : A 27 GLN : amide:sc= -0.991 X(o=-0.99,f=-1.3) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -50:sc= 1.61 USER MOD Single : A 38 SER OG : rot 180:sc= -0.136 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0608 F(o=-0.79,f=-0.061) USER MOD Single : A 50 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -169:sc= 1.03 (180deg=0.633) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc=-0.00309 (180deg=-0.13) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 71 ASN : amide:sc= -0.83 X(o=-0.83,f=-1.2) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.237 F(o=-1.3,f=-0.24) USER MOD Single : A 74 THR OG1 : rot 71:sc= 0.981 USER MOD Single : A 78 ASN : amide:sc= -0.86 X(o=-0.86,f=-0.9) USER MOD Single : A 81 GLN : amide:sc= 0.634 K(o=0.63,f=-0.11) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -1.54 K(o=-1.5,f=-8.8!) USER MOD Single : A 86 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.17) USER MOD Single : A 87 ASN : amide:sc= -0.0588 X(o=-0.059,f=-0.24) USER MOD Single : A 88 LYS NZ :NH3+ -109:sc= 0.649 (180deg=-0.215!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 163:sc= -0.106 (180deg=-0.503) USER MOD Single : A 96 GLN :FLIP amide:sc= -1.74! C(o=-3.2!,f=-1.7!) USER MOD Single : A 98 LYS NZ :NH3+ -172:sc=-0.000849 (180deg=-0.0732) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 99 N THR A 8 1.096 -18.247 -4.816 1.00 32.41 N ATOM 100 CA THR A 8 1.294 -16.855 -5.256 1.00 4.02 C ATOM 101 C THR A 8 1.513 -15.912 -4.064 1.00 54.55 C ATOM 102 O THR A 8 0.711 -15.879 -3.131 1.00 30.14 O ATOM 103 CB THR A 8 0.081 -16.337 -6.084 1.00 51.41 C ATOM 104 OG1 THR A 8 -0.093 -17.133 -7.267 1.00 1.45 O ATOM 105 CG2 THR A 8 0.263 -14.876 -6.493 1.00 34.24 C ATOM 0 HA THR A 8 2.185 -16.857 -5.884 1.00 4.02 H new ATOM 0 HB THR A 8 -0.801 -16.416 -5.449 1.00 51.41 H new ATOM 0 HG1 THR A 8 0.118 -18.069 -7.066 1.00 1.45 H new ATOM 0 HG21 THR A 8 -0.603 -14.549 -7.069 1.00 34.24 H new ATOM 0 HG22 THR A 8 0.360 -14.258 -5.601 1.00 34.24 H new ATOM 0 HG23 THR A 8 1.162 -14.778 -7.101 1.00 34.24 H new ATOM 113 N SER A 9 2.604 -15.148 -4.098 1.00 71.43 N ATOM 114 CA SER A 9 2.883 -14.141 -3.058 1.00 51.43 C ATOM 115 C SER A 9 2.407 -12.750 -3.511 1.00 13.23 C ATOM 116 O SER A 9 1.876 -12.602 -4.613 1.00 62.22 O ATOM 117 CB SER A 9 4.380 -14.105 -2.723 1.00 24.41 C ATOM 118 OG SER A 9 4.652 -13.185 -1.675 1.00 1.21 O ATOM 0 H SER A 9 3.312 -15.202 -4.830 1.00 71.43 H new ATOM 0 HA SER A 9 2.334 -14.422 -2.159 1.00 51.43 H new ATOM 0 HB2 SER A 9 4.714 -15.101 -2.431 1.00 24.41 H new ATOM 0 HB3 SER A 9 4.947 -13.826 -3.611 1.00 24.41 H new ATOM 0 HG SER A 9 5.613 -13.184 -1.482 1.00 1.21 H new ATOM 124 N PHE A 10 2.594 -11.730 -2.673 1.00 70.32 N ATOM 125 CA PHE A 10 2.070 -10.386 -2.969 1.00 42.03 C ATOM 126 C PHE A 10 3.079 -9.281 -2.617 1.00 35.00 C ATOM 127 O PHE A 10 3.757 -9.341 -1.591 1.00 53.53 O ATOM 128 CB PHE A 10 0.751 -10.151 -2.213 1.00 30.34 C ATOM 129 CG PHE A 10 -0.327 -11.155 -2.550 1.00 52.31 C ATOM 130 CD1 PHE A 10 -1.112 -11.000 -3.684 1.00 73.04 C ATOM 131 CD2 PHE A 10 -0.542 -12.263 -1.740 1.00 52.34 C ATOM 132 CE1 PHE A 10 -2.088 -11.926 -4.001 1.00 35.10 C ATOM 133 CE2 PHE A 10 -1.518 -13.190 -2.051 1.00 73.10 C ATOM 134 CZ PHE A 10 -2.290 -13.022 -3.185 1.00 64.43 C ATOM 0 H PHE A 10 3.099 -11.802 -1.790 1.00 70.32 H new ATOM 0 HA PHE A 10 1.890 -10.338 -4.043 1.00 42.03 H new ATOM 0 HB2 PHE A 10 0.945 -10.185 -1.141 1.00 30.34 H new ATOM 0 HB3 PHE A 10 0.386 -9.149 -2.439 1.00 30.34 H new ATOM 0 HD1 PHE A 10 -0.958 -10.146 -4.326 1.00 73.04 H new ATOM 0 HD2 PHE A 10 0.062 -12.402 -0.855 1.00 52.34 H new ATOM 0 HE1 PHE A 10 -2.692 -11.793 -4.886 1.00 35.10 H new ATOM 0 HE2 PHE A 10 -1.677 -14.044 -1.409 1.00 73.10 H new ATOM 0 HZ PHE A 10 -3.051 -13.747 -3.433 1.00 64.43 H new ATOM 144 N ILE A 11 3.164 -8.268 -3.477 1.00 23.44 N ATOM 145 CA ILE A 11 4.063 -7.127 -3.262 1.00 33.22 C ATOM 146 C ILE A 11 3.264 -5.825 -3.120 1.00 60.22 C ATOM 147 O ILE A 11 2.228 -5.654 -3.754 1.00 12.24 O ATOM 148 CB ILE A 11 5.066 -6.968 -4.438 1.00 34.00 C ATOM 149 CG1 ILE A 11 5.885 -8.255 -4.632 1.00 23.55 C ATOM 150 CG2 ILE A 11 5.990 -5.770 -4.212 1.00 15.50 C ATOM 151 CD1 ILE A 11 6.904 -8.174 -5.752 1.00 3.12 C ATOM 0 H ILE A 11 2.618 -8.211 -4.337 1.00 23.44 H new ATOM 0 HA ILE A 11 4.615 -7.324 -2.343 1.00 33.22 H new ATOM 0 HB ILE A 11 4.493 -6.786 -5.347 1.00 34.00 H new ATOM 0 HG12 ILE A 11 6.401 -8.489 -3.701 1.00 23.55 H new ATOM 0 HG13 ILE A 11 5.203 -9.081 -4.834 1.00 23.55 H new ATOM 0 HG21 ILE A 11 6.682 -5.681 -5.049 1.00 15.50 H new ATOM 0 HG22 ILE A 11 5.394 -4.860 -4.136 1.00 15.50 H new ATOM 0 HG23 ILE A 11 6.553 -5.914 -3.290 1.00 15.50 H new ATOM 0 HD11 ILE A 11 7.440 -9.120 -5.825 1.00 3.12 H new ATOM 0 HD12 ILE A 11 6.394 -7.972 -6.694 1.00 3.12 H new ATOM 0 HD13 ILE A 11 7.611 -7.371 -5.543 1.00 3.12 H new ATOM 163 N LEU A 12 3.748 -4.914 -2.280 1.00 3.41 N ATOM 164 CA LEU A 12 3.110 -3.604 -2.111 1.00 0.05 C ATOM 165 C LEU A 12 3.940 -2.494 -2.781 1.00 2.14 C ATOM 166 O LEU A 12 5.043 -2.168 -2.330 1.00 72.14 O ATOM 167 CB LEU A 12 2.928 -3.295 -0.618 1.00 53.23 C ATOM 168 CG LEU A 12 2.240 -1.955 -0.296 1.00 25.22 C ATOM 169 CD1 LEU A 12 0.813 -1.925 -0.844 1.00 73.33 C ATOM 170 CD2 LEU A 12 2.247 -1.692 1.208 1.00 14.10 C ATOM 0 H LEU A 12 4.578 -5.055 -1.705 1.00 3.41 H new ATOM 0 HA LEU A 12 2.133 -3.637 -2.593 1.00 0.05 H new ATOM 0 HB2 LEU A 12 2.347 -4.099 -0.167 1.00 53.23 H new ATOM 0 HB3 LEU A 12 3.908 -3.304 -0.141 1.00 53.23 H new ATOM 0 HG LEU A 12 2.805 -1.161 -0.785 1.00 25.22 H new ATOM 0 HD11 LEU A 12 0.351 -0.968 -0.603 1.00 73.33 H new ATOM 0 HD12 LEU A 12 0.836 -2.054 -1.926 1.00 73.33 H new ATOM 0 HD13 LEU A 12 0.234 -2.731 -0.395 1.00 73.33 H new ATOM 0 HD21 LEU A 12 1.756 -0.741 1.413 1.00 14.10 H new ATOM 0 HD22 LEU A 12 1.714 -2.493 1.720 1.00 14.10 H new ATOM 0 HD23 LEU A 12 3.276 -1.654 1.566 1.00 14.10 H new ATOM 182 N LYS A 13 3.417 -1.929 -3.869 1.00 24.33 N ATOM 183 CA LYS A 13 4.059 -0.787 -4.532 1.00 45.11 C ATOM 184 C LYS A 13 3.363 0.530 -4.169 1.00 32.41 C ATOM 185 O LYS A 13 2.186 0.729 -4.467 1.00 2.33 O ATOM 186 CB LYS A 13 4.078 -0.954 -6.060 1.00 32.32 C ATOM 187 CG LYS A 13 5.055 -2.018 -6.560 1.00 72.40 C ATOM 188 CD LYS A 13 5.426 -1.823 -8.038 1.00 33.21 C ATOM 189 CE LYS A 13 4.440 -2.493 -8.995 1.00 12.01 C ATOM 190 NZ LYS A 13 3.025 -2.132 -8.712 1.00 10.34 N ATOM 0 H LYS A 13 2.552 -2.240 -4.312 1.00 24.33 H new ATOM 0 HA LYS A 13 5.088 -0.755 -4.174 1.00 45.11 H new ATOM 0 HB2 LYS A 13 3.074 -1.210 -6.399 1.00 32.32 H new ATOM 0 HB3 LYS A 13 4.334 0.002 -6.516 1.00 32.32 H new ATOM 0 HG2 LYS A 13 5.961 -1.990 -5.954 1.00 72.40 H new ATOM 0 HG3 LYS A 13 4.613 -3.005 -6.426 1.00 72.40 H new ATOM 0 HD2 LYS A 13 5.470 -0.756 -8.258 1.00 33.21 H new ATOM 0 HD3 LYS A 13 6.424 -2.226 -8.213 1.00 33.21 H new ATOM 0 HE2 LYS A 13 4.685 -2.209 -10.019 1.00 12.01 H new ATOM 0 HE3 LYS A 13 4.554 -3.575 -8.928 1.00 12.01 H new ATOM 0 HZ1 LYS A 13 2.423 -2.443 -9.501 1.00 10.34 H new ATOM 0 HZ2 LYS A 13 2.716 -2.599 -7.836 1.00 10.34 H new ATOM 0 HZ3 LYS A 13 2.945 -1.101 -8.601 1.00 10.34 H new ATOM 204 N VAL A 14 4.102 1.426 -3.527 1.00 63.22 N ATOM 205 CA VAL A 14 3.575 2.735 -3.138 1.00 12.14 C ATOM 206 C VAL A 14 4.188 3.856 -3.993 1.00 12.11 C ATOM 207 O VAL A 14 5.378 4.148 -3.893 1.00 54.21 O ATOM 208 CB VAL A 14 3.847 3.026 -1.642 1.00 41.45 C ATOM 209 CG1 VAL A 14 3.303 4.397 -1.241 1.00 0.34 C ATOM 210 CG2 VAL A 14 3.255 1.925 -0.764 1.00 4.11 C ATOM 0 H VAL A 14 5.075 1.272 -3.262 1.00 63.22 H new ATOM 0 HA VAL A 14 2.498 2.709 -3.304 1.00 12.14 H new ATOM 0 HB VAL A 14 4.926 3.040 -1.490 1.00 41.45 H new ATOM 0 HG11 VAL A 14 3.508 4.575 -0.185 1.00 0.34 H new ATOM 0 HG12 VAL A 14 3.786 5.169 -1.840 1.00 0.34 H new ATOM 0 HG13 VAL A 14 2.227 4.426 -1.412 1.00 0.34 H new ATOM 0 HG21 VAL A 14 3.457 2.147 0.284 1.00 4.11 H new ATOM 0 HG22 VAL A 14 2.178 1.872 -0.923 1.00 4.11 H new ATOM 0 HG23 VAL A 14 3.708 0.968 -1.025 1.00 4.11 H new ATOM 220 N LEU A 15 3.372 4.471 -4.842 1.00 52.13 N ATOM 221 CA LEU A 15 3.825 5.576 -5.692 1.00 45.43 C ATOM 222 C LEU A 15 3.811 6.891 -4.891 1.00 2.50 C ATOM 223 O LEU A 15 2.749 7.362 -4.476 1.00 44.20 O ATOM 224 CB LEU A 15 2.920 5.680 -6.938 1.00 15.12 C ATOM 225 CG LEU A 15 3.549 6.329 -8.193 1.00 62.11 C ATOM 226 CD1 LEU A 15 2.598 6.225 -9.382 1.00 51.14 C ATOM 227 CD2 LEU A 15 3.924 7.789 -7.942 1.00 71.22 C ATOM 0 H LEU A 15 2.390 4.225 -4.963 1.00 52.13 H new ATOM 0 HA LEU A 15 4.846 5.387 -6.023 1.00 45.43 H new ATOM 0 HB2 LEU A 15 2.587 4.677 -7.203 1.00 15.12 H new ATOM 0 HB3 LEU A 15 2.031 6.250 -6.668 1.00 15.12 H new ATOM 0 HG LEU A 15 4.464 5.783 -8.422 1.00 62.11 H new ATOM 0 HD11 LEU A 15 3.057 6.687 -10.256 1.00 51.14 H new ATOM 0 HD12 LEU A 15 2.392 5.176 -9.592 1.00 51.14 H new ATOM 0 HD13 LEU A 15 1.665 6.738 -9.148 1.00 51.14 H new ATOM 0 HD21 LEU A 15 4.363 8.212 -8.845 1.00 71.22 H new ATOM 0 HD22 LEU A 15 3.031 8.353 -7.674 1.00 71.22 H new ATOM 0 HD23 LEU A 15 4.646 7.844 -7.127 1.00 71.22 H new ATOM 239 N TRP A 16 4.989 7.476 -4.680 1.00 11.34 N ATOM 240 CA TRP A 16 5.117 8.682 -3.855 1.00 60.22 C ATOM 241 C TRP A 16 5.083 9.953 -4.722 1.00 64.42 C ATOM 242 O TRP A 16 5.810 10.065 -5.710 1.00 25.13 O ATOM 243 CB TRP A 16 6.418 8.632 -3.040 1.00 44.44 C ATOM 244 CG TRP A 16 6.446 9.599 -1.890 1.00 21.40 C ATOM 245 CD1 TRP A 16 6.814 10.916 -1.923 1.00 43.43 C ATOM 246 CD2 TRP A 16 6.087 9.319 -0.532 1.00 45.35 C ATOM 247 NE1 TRP A 16 6.706 11.467 -0.668 1.00 50.14 N ATOM 248 CE2 TRP A 16 6.262 10.507 0.202 1.00 42.42 C ATOM 249 CE3 TRP A 16 5.637 8.175 0.133 1.00 42.43 C ATOM 250 CZ2 TRP A 16 5.996 10.584 1.566 1.00 35.45 C ATOM 251 CZ3 TRP A 16 5.374 8.252 1.487 1.00 3.33 C ATOM 252 CH2 TRP A 16 5.557 9.448 2.191 1.00 3.13 C ATOM 0 H TRP A 16 5.869 7.137 -5.067 1.00 11.34 H new ATOM 0 HA TRP A 16 4.269 8.715 -3.171 1.00 60.22 H new ATOM 0 HB2 TRP A 16 6.558 7.621 -2.657 1.00 44.44 H new ATOM 0 HB3 TRP A 16 7.259 8.842 -3.701 1.00 44.44 H new ATOM 0 HD1 TRP A 16 7.141 11.445 -2.806 1.00 43.43 H new ATOM 0 HE1 TRP A 16 6.922 12.434 -0.424 1.00 50.14 H new ATOM 0 HE3 TRP A 16 5.497 7.247 -0.402 1.00 42.43 H new ATOM 0 HZ2 TRP A 16 6.131 11.506 2.111 1.00 35.45 H new ATOM 0 HZ3 TRP A 16 5.022 7.376 2.011 1.00 3.33 H new ATOM 0 HH2 TRP A 16 5.347 9.475 3.250 1.00 3.13 H new ATOM 263 N LEU A 17 4.238 10.907 -4.339 1.00 31.34 N ATOM 264 CA LEU A 17 4.091 12.167 -5.077 1.00 5.55 C ATOM 265 C LEU A 17 4.318 13.379 -4.163 1.00 54.23 C ATOM 266 O LEU A 17 4.357 13.253 -2.938 1.00 43.11 O ATOM 267 CB LEU A 17 2.694 12.253 -5.708 1.00 2.03 C ATOM 268 CG LEU A 17 2.389 11.209 -6.792 1.00 25.43 C ATOM 269 CD1 LEU A 17 0.936 11.316 -7.241 1.00 34.31 C ATOM 270 CD2 LEU A 17 3.336 11.373 -7.980 1.00 31.33 C ATOM 0 H LEU A 17 3.639 10.834 -3.517 1.00 31.34 H new ATOM 0 HA LEU A 17 4.847 12.182 -5.862 1.00 5.55 H new ATOM 0 HB2 LEU A 17 1.951 12.156 -4.916 1.00 2.03 H new ATOM 0 HB3 LEU A 17 2.571 13.246 -6.141 1.00 2.03 H new ATOM 0 HG LEU A 17 2.545 10.217 -6.368 1.00 25.43 H new ATOM 0 HD11 LEU A 17 0.737 10.569 -8.009 1.00 34.31 H new ATOM 0 HD12 LEU A 17 0.278 11.144 -6.389 1.00 34.31 H new ATOM 0 HD13 LEU A 17 0.753 12.311 -7.646 1.00 34.31 H new ATOM 0 HD21 LEU A 17 3.103 10.624 -8.737 1.00 31.33 H new ATOM 0 HD22 LEU A 17 3.216 12.369 -8.406 1.00 31.33 H new ATOM 0 HD23 LEU A 17 4.365 11.243 -7.645 1.00 31.33 H new ATOM 282 N ASP A 18 4.455 14.556 -4.768 1.00 45.24 N ATOM 283 CA ASP A 18 4.648 15.797 -4.015 1.00 22.01 C ATOM 284 C ASP A 18 3.465 16.058 -3.062 1.00 1.11 C ATOM 285 O ASP A 18 2.407 16.535 -3.481 1.00 72.52 O ATOM 286 CB ASP A 18 4.830 16.967 -4.986 1.00 1.40 C ATOM 287 CG ASP A 18 5.912 16.678 -6.016 1.00 11.11 C ATOM 288 OD1 ASP A 18 7.093 16.987 -5.754 1.00 40.20 O ATOM 289 OD2 ASP A 18 5.586 16.118 -7.086 1.00 22.52 O ATOM 0 H ASP A 18 4.436 14.679 -5.780 1.00 45.24 H new ATOM 0 HA ASP A 18 5.546 15.698 -3.405 1.00 22.01 H new ATOM 0 HB2 ASP A 18 3.887 17.168 -5.495 1.00 1.40 H new ATOM 0 HB3 ASP A 18 5.089 17.867 -4.428 1.00 1.40 H new ATOM 294 N GLN A 19 3.653 15.702 -1.788 1.00 21.32 N ATOM 295 CA GLN A 19 2.613 15.831 -0.755 1.00 21.33 C ATOM 296 C GLN A 19 1.385 14.949 -1.053 1.00 45.20 C ATOM 297 O GLN A 19 0.292 15.198 -0.546 1.00 62.21 O ATOM 298 CB GLN A 19 2.196 17.303 -0.575 1.00 1.12 C ATOM 299 CG GLN A 19 3.337 18.209 -0.117 1.00 71.54 C ATOM 300 CD GLN A 19 2.871 19.606 0.259 1.00 73.23 C ATOM 301 OE1 GLN A 19 2.529 19.869 1.409 1.00 14.24 O ATOM 302 NE2 GLN A 19 2.857 20.511 -0.697 1.00 31.32 N ATOM 0 H GLN A 19 4.530 15.315 -1.440 1.00 21.32 H new ATOM 0 HA GLN A 19 3.046 15.476 0.180 1.00 21.33 H new ATOM 0 HB2 GLN A 19 1.801 17.678 -1.519 1.00 1.12 H new ATOM 0 HB3 GLN A 19 1.386 17.356 0.153 1.00 1.12 H new ATOM 0 HG2 GLN A 19 3.833 17.754 0.740 1.00 71.54 H new ATOM 0 HG3 GLN A 19 4.078 18.281 -0.913 1.00 71.54 H new ATOM 0 HE21 GLN A 19 3.147 20.259 -1.642 1.00 31.32 H new ATOM 0 HE22 GLN A 19 2.556 21.464 -0.493 1.00 31.32 H new ATOM 311 N ASN A 20 1.585 13.907 -1.865 1.00 13.10 N ATOM 312 CA ASN A 20 0.542 12.907 -2.170 1.00 12.31 C ATOM 313 C ASN A 20 1.128 11.482 -2.108 1.00 51.32 C ATOM 314 O ASN A 20 2.346 11.303 -2.132 1.00 63.15 O ATOM 315 CB ASN A 20 -0.079 13.149 -3.562 1.00 42.05 C ATOM 316 CG ASN A 20 -1.353 13.986 -3.538 1.00 53.25 C ATOM 317 OD1 ASN A 20 -2.268 13.755 -4.321 1.00 11.12 O ATOM 318 ND2 ASN A 20 -1.423 14.972 -2.672 1.00 15.34 N ATOM 0 H ASN A 20 2.473 13.727 -2.333 1.00 13.10 H new ATOM 0 HA ASN A 20 -0.242 13.010 -1.419 1.00 12.31 H new ATOM 0 HB2 ASN A 20 0.657 13.645 -4.195 1.00 42.05 H new ATOM 0 HB3 ASN A 20 -0.298 12.186 -4.023 1.00 42.05 H new ATOM 0 HD21 ASN A 20 -2.252 15.565 -2.641 1.00 15.34 H new ATOM 0 HD22 ASN A 20 -0.648 15.144 -2.031 1.00 15.34 H new ATOM 325 N VAL A 21 0.259 10.477 -2.046 1.00 51.41 N ATOM 326 CA VAL A 21 0.698 9.079 -1.946 1.00 31.31 C ATOM 327 C VAL A 21 -0.318 8.116 -2.589 1.00 13.05 C ATOM 328 O VAL A 21 -1.529 8.286 -2.445 1.00 70.32 O ATOM 329 CB VAL A 21 0.933 8.691 -0.462 1.00 44.54 C ATOM 330 CG1 VAL A 21 -0.309 8.976 0.372 1.00 61.11 C ATOM 331 CG2 VAL A 21 1.348 7.231 -0.319 1.00 14.34 C ATOM 0 H VAL A 21 -0.753 10.599 -2.063 1.00 51.41 H new ATOM 0 HA VAL A 21 1.636 8.990 -2.493 1.00 31.31 H new ATOM 0 HB VAL A 21 1.753 9.305 -0.090 1.00 44.54 H new ATOM 0 HG11 VAL A 21 -0.123 8.697 1.409 1.00 61.11 H new ATOM 0 HG12 VAL A 21 -0.547 10.038 0.319 1.00 61.11 H new ATOM 0 HG13 VAL A 21 -1.148 8.397 -0.015 1.00 61.11 H new ATOM 0 HG21 VAL A 21 1.503 6.998 0.735 1.00 14.34 H new ATOM 0 HG22 VAL A 21 0.564 6.589 -0.721 1.00 14.34 H new ATOM 0 HG23 VAL A 21 2.274 7.060 -0.868 1.00 14.34 H new ATOM 341 N ALA A 22 0.182 7.115 -3.312 1.00 65.01 N ATOM 342 CA ALA A 22 -0.674 6.111 -3.957 1.00 3.12 C ATOM 343 C ALA A 22 -0.189 4.684 -3.654 1.00 11.41 C ATOM 344 O ALA A 22 1.008 4.414 -3.672 1.00 35.31 O ATOM 345 CB ALA A 22 -0.717 6.345 -5.461 1.00 75.43 C ATOM 0 H ALA A 22 1.180 6.974 -3.468 1.00 65.01 H new ATOM 0 HA ALA A 22 -1.680 6.216 -3.551 1.00 3.12 H new ATOM 0 HB1 ALA A 22 -1.355 5.594 -5.928 1.00 75.43 H new ATOM 0 HB2 ALA A 22 -1.118 7.338 -5.663 1.00 75.43 H new ATOM 0 HB3 ALA A 22 0.291 6.270 -5.870 1.00 75.43 H new ATOM 351 N ILE A 23 -1.120 3.770 -3.384 1.00 55.21 N ATOM 352 CA ILE A 23 -0.769 2.382 -3.030 1.00 51.02 C ATOM 353 C ILE A 23 -1.329 1.362 -4.036 1.00 44.21 C ATOM 354 O ILE A 23 -2.411 1.554 -4.595 1.00 55.24 O ATOM 355 CB ILE A 23 -1.270 2.018 -1.606 1.00 72.33 C ATOM 356 CG1 ILE A 23 -2.798 2.180 -1.507 1.00 20.41 C ATOM 357 CG2 ILE A 23 -0.565 2.877 -0.554 1.00 25.13 C ATOM 358 CD1 ILE A 23 -3.368 1.827 -0.147 1.00 4.34 C ATOM 0 H ILE A 23 -2.122 3.958 -3.402 1.00 55.21 H new ATOM 0 HA ILE A 23 0.319 2.331 -3.057 1.00 51.02 H new ATOM 0 HB ILE A 23 -1.028 0.973 -1.414 1.00 72.33 H new ATOM 0 HG12 ILE A 23 -3.060 3.211 -1.743 1.00 20.41 H new ATOM 0 HG13 ILE A 23 -3.270 1.551 -2.262 1.00 20.41 H new ATOM 0 HG21 ILE A 23 -0.928 2.608 0.438 1.00 25.13 H new ATOM 0 HG22 ILE A 23 0.510 2.706 -0.605 1.00 25.13 H new ATOM 0 HG23 ILE A 23 -0.774 3.930 -0.744 1.00 25.13 H new ATOM 0 HD11 ILE A 23 -4.449 1.967 -0.158 1.00 4.34 H new ATOM 0 HD12 ILE A 23 -3.139 0.787 0.085 1.00 4.34 H new ATOM 0 HD13 ILE A 23 -2.926 2.473 0.612 1.00 4.34 H new ATOM 370 N ALA A 24 -0.572 0.285 -4.263 1.00 22.42 N ATOM 371 CA ALA A 24 -0.994 -0.809 -5.152 1.00 62.51 C ATOM 372 C ALA A 24 -0.391 -2.154 -4.712 1.00 54.04 C ATOM 373 O ALA A 24 0.704 -2.200 -4.154 1.00 14.35 O ATOM 374 CB ALA A 24 -0.587 -0.512 -6.589 1.00 4.40 C ATOM 0 H ALA A 24 0.346 0.144 -3.840 1.00 22.42 H new ATOM 0 HA ALA A 24 -2.080 -0.883 -5.091 1.00 62.51 H new ATOM 0 HB1 ALA A 24 -0.906 -1.331 -7.234 1.00 4.40 H new ATOM 0 HB2 ALA A 24 -1.059 0.414 -6.917 1.00 4.40 H new ATOM 0 HB3 ALA A 24 0.496 -0.407 -6.646 1.00 4.40 H new ATOM 380 N VAL A 25 -1.114 -3.242 -4.966 1.00 62.12 N ATOM 381 CA VAL A 25 -0.623 -4.597 -4.668 1.00 3.45 C ATOM 382 C VAL A 25 -0.451 -5.428 -5.953 1.00 34.45 C ATOM 383 O VAL A 25 -1.316 -5.424 -6.833 1.00 62.14 O ATOM 384 CB VAL A 25 -1.575 -5.347 -3.693 1.00 61.52 C ATOM 385 CG1 VAL A 25 -1.096 -6.779 -3.447 1.00 11.52 C ATOM 386 CG2 VAL A 25 -1.702 -4.587 -2.372 1.00 74.05 C ATOM 0 H VAL A 25 -2.046 -3.218 -5.379 1.00 62.12 H new ATOM 0 HA VAL A 25 0.349 -4.479 -4.190 1.00 3.45 H new ATOM 0 HB VAL A 25 -2.560 -5.397 -4.158 1.00 61.52 H new ATOM 0 HG11 VAL A 25 -1.781 -7.279 -2.762 1.00 11.52 H new ATOM 0 HG12 VAL A 25 -1.069 -7.321 -4.392 1.00 11.52 H new ATOM 0 HG13 VAL A 25 -0.097 -6.759 -3.011 1.00 11.52 H new ATOM 0 HG21 VAL A 25 -2.372 -5.128 -1.704 1.00 74.05 H new ATOM 0 HG22 VAL A 25 -0.720 -4.498 -1.907 1.00 74.05 H new ATOM 0 HG23 VAL A 25 -2.105 -3.592 -2.562 1.00 74.05 H new ATOM 396 N ASP A 26 0.675 -6.136 -6.049 1.00 22.13 N ATOM 397 CA ASP A 26 0.992 -6.971 -7.212 1.00 42.41 C ATOM 398 C ASP A 26 1.125 -8.449 -6.807 1.00 54.10 C ATOM 399 O ASP A 26 1.339 -8.764 -5.634 1.00 32.01 O ATOM 400 CB ASP A 26 2.293 -6.480 -7.853 1.00 42.31 C ATOM 401 CG ASP A 26 2.252 -4.990 -8.143 1.00 61.53 C ATOM 402 OD1 ASP A 26 2.509 -4.194 -7.214 1.00 42.42 O ATOM 403 OD2 ASP A 26 1.961 -4.603 -9.296 1.00 30.43 O ATOM 0 H ASP A 26 1.393 -6.148 -5.325 1.00 22.13 H new ATOM 0 HA ASP A 26 0.178 -6.891 -7.933 1.00 42.41 H new ATOM 0 HB2 ASP A 26 3.130 -6.698 -7.190 1.00 42.31 H new ATOM 0 HB3 ASP A 26 2.470 -7.026 -8.780 1.00 42.31 H new ATOM 408 N GLN A 27 1.012 -9.351 -7.778 1.00 60.33 N ATOM 409 CA GLN A 27 1.078 -10.794 -7.503 1.00 43.43 C ATOM 410 C GLN A 27 2.399 -11.408 -7.998 1.00 21.51 C ATOM 411 O GLN A 27 2.846 -11.143 -9.118 1.00 1.44 O ATOM 412 CB GLN A 27 -0.115 -11.515 -8.158 1.00 60.13 C ATOM 413 CG GLN A 27 -0.153 -11.399 -9.680 1.00 2.13 C ATOM 414 CD GLN A 27 -1.387 -12.039 -10.297 1.00 62.42 C ATOM 415 OE1 GLN A 27 -2.411 -11.391 -10.479 1.00 3.21 O ATOM 416 NE2 GLN A 27 -1.302 -13.314 -10.622 1.00 72.41 N ATOM 0 H GLN A 27 0.875 -9.115 -8.761 1.00 60.33 H new ATOM 0 HA GLN A 27 1.033 -10.926 -6.422 1.00 43.43 H new ATOM 0 HB2 GLN A 27 -0.083 -12.570 -7.885 1.00 60.13 H new ATOM 0 HB3 GLN A 27 -1.040 -11.108 -7.750 1.00 60.13 H new ATOM 0 HG2 GLN A 27 -0.119 -10.346 -9.959 1.00 2.13 H new ATOM 0 HG3 GLN A 27 0.739 -11.868 -10.096 1.00 2.13 H new ATOM 0 HE21 GLN A 27 -0.435 -13.826 -10.458 1.00 72.41 H new ATOM 0 HE22 GLN A 27 -2.103 -13.789 -11.038 1.00 72.41 H new ATOM 425 N ILE A 28 3.021 -12.232 -7.154 1.00 32.44 N ATOM 426 CA ILE A 28 4.247 -12.948 -7.523 1.00 34.34 C ATOM 427 C ILE A 28 3.915 -14.341 -8.070 1.00 43.12 C ATOM 428 O ILE A 28 3.541 -15.245 -7.319 1.00 13.53 O ATOM 429 CB ILE A 28 5.221 -13.095 -6.325 1.00 1.43 C ATOM 430 CG1 ILE A 28 5.591 -11.715 -5.758 1.00 72.41 C ATOM 431 CG2 ILE A 28 6.480 -13.864 -6.744 1.00 64.41 C ATOM 432 CD1 ILE A 28 6.538 -11.771 -4.574 1.00 42.43 C ATOM 0 H ILE A 28 2.696 -12.422 -6.206 1.00 32.44 H new ATOM 0 HA ILE A 28 4.737 -12.353 -8.293 1.00 34.34 H new ATOM 0 HB ILE A 28 4.719 -13.663 -5.542 1.00 1.43 H new ATOM 0 HG12 ILE A 28 6.048 -11.119 -6.548 1.00 72.41 H new ATOM 0 HG13 ILE A 28 4.679 -11.200 -5.457 1.00 72.41 H new ATOM 0 HG21 ILE A 28 7.151 -13.957 -5.890 1.00 64.41 H new ATOM 0 HG22 ILE A 28 6.200 -14.857 -7.095 1.00 64.41 H new ATOM 0 HG23 ILE A 28 6.985 -13.325 -7.546 1.00 64.41 H new ATOM 0 HD11 ILE A 28 6.752 -10.759 -4.231 1.00 42.43 H new ATOM 0 HD12 ILE A 28 6.077 -12.339 -3.766 1.00 42.43 H new ATOM 0 HD13 ILE A 28 7.467 -12.256 -4.874 1.00 42.43 H new ATOM 444 N VAL A 29 4.061 -14.502 -9.378 1.00 52.12 N ATOM 445 CA VAL A 29 3.740 -15.759 -10.059 1.00 22.45 C ATOM 446 C VAL A 29 5.010 -16.602 -10.283 1.00 34.33 C ATOM 447 O VAL A 29 6.126 -16.089 -10.197 1.00 35.52 O ATOM 448 CB VAL A 29 3.056 -15.473 -11.428 1.00 52.32 C ATOM 449 CG1 VAL A 29 2.536 -16.758 -12.071 1.00 34.02 C ATOM 450 CG2 VAL A 29 1.927 -14.454 -11.265 1.00 73.42 C ATOM 0 H VAL A 29 4.404 -13.770 -10.000 1.00 52.12 H new ATOM 0 HA VAL A 29 3.055 -16.320 -9.424 1.00 22.45 H new ATOM 0 HB VAL A 29 3.809 -15.051 -12.094 1.00 52.32 H new ATOM 0 HG11 VAL A 29 2.064 -16.522 -13.025 1.00 34.02 H new ATOM 0 HG12 VAL A 29 3.367 -17.444 -12.236 1.00 34.02 H new ATOM 0 HG13 VAL A 29 1.805 -17.225 -11.411 1.00 34.02 H new ATOM 0 HG21 VAL A 29 1.462 -14.268 -12.233 1.00 73.42 H new ATOM 0 HG22 VAL A 29 1.181 -14.845 -10.573 1.00 73.42 H new ATOM 0 HG23 VAL A 29 2.332 -13.522 -10.872 1.00 73.42 H new ATOM 460 N GLY A 30 4.841 -17.894 -10.573 1.00 14.31 N ATOM 461 CA GLY A 30 5.981 -18.755 -10.897 1.00 3.12 C ATOM 462 C GLY A 30 6.748 -18.315 -12.153 1.00 64.32 C ATOM 463 O GLY A 30 7.743 -18.935 -12.531 1.00 71.32 O ATOM 0 H GLY A 30 3.936 -18.364 -10.590 1.00 14.31 H new ATOM 0 HA2 GLY A 30 6.667 -18.770 -10.050 1.00 3.12 H new ATOM 0 HA3 GLY A 30 5.626 -19.776 -11.038 1.00 3.12 H new ATOM 467 N LYS A 31 6.270 -17.256 -12.808 1.00 72.20 N ATOM 468 CA LYS A 31 6.948 -16.674 -13.975 1.00 11.02 C ATOM 469 C LYS A 31 7.483 -15.261 -13.664 1.00 34.44 C ATOM 470 O LYS A 31 7.903 -14.529 -14.564 1.00 42.33 O ATOM 471 CB LYS A 31 5.974 -16.621 -15.164 1.00 41.22 C ATOM 472 CG LYS A 31 5.451 -17.992 -15.591 1.00 0.30 C ATOM 473 CD LYS A 31 4.421 -17.884 -16.715 1.00 11.32 C ATOM 474 CE LYS A 31 3.167 -17.139 -16.270 1.00 11.53 C ATOM 475 NZ LYS A 31 2.201 -16.946 -17.385 1.00 23.20 N ATOM 0 H LYS A 31 5.407 -16.777 -12.549 1.00 72.20 H new ATOM 0 HA LYS A 31 7.800 -17.305 -14.228 1.00 11.02 H new ATOM 0 HB2 LYS A 31 5.129 -15.985 -14.902 1.00 41.22 H new ATOM 0 HB3 LYS A 31 6.474 -16.153 -16.012 1.00 41.22 H new ATOM 0 HG2 LYS A 31 6.285 -18.612 -15.921 1.00 0.30 H new ATOM 0 HG3 LYS A 31 5.001 -18.492 -14.733 1.00 0.30 H new ATOM 0 HD2 LYS A 31 4.866 -17.369 -17.566 1.00 11.32 H new ATOM 0 HD3 LYS A 31 4.148 -18.883 -17.054 1.00 11.32 H new ATOM 0 HE2 LYS A 31 2.684 -17.693 -15.465 1.00 11.53 H new ATOM 0 HE3 LYS A 31 3.449 -16.168 -15.864 1.00 11.53 H new ATOM 0 HZ1 LYS A 31 1.365 -16.436 -17.036 1.00 23.20 H new ATOM 0 HZ2 LYS A 31 2.651 -16.395 -18.143 1.00 23.20 H new ATOM 0 HZ3 LYS A 31 1.910 -17.873 -17.757 1.00 23.20 H new ATOM 489 N GLY A 32 7.471 -14.886 -12.385 1.00 15.53 N ATOM 490 CA GLY A 32 7.954 -13.572 -11.970 1.00 14.44 C ATOM 491 C GLY A 32 6.886 -12.741 -11.260 1.00 54.31 C ATOM 492 O GLY A 32 6.327 -13.165 -10.248 1.00 55.33 O ATOM 0 H GLY A 32 7.133 -15.472 -11.622 1.00 15.53 H new ATOM 0 HA2 GLY A 32 8.809 -13.698 -11.306 1.00 14.44 H new ATOM 0 HA3 GLY A 32 8.308 -13.028 -12.846 1.00 14.44 H new ATOM 496 N THR A 33 6.591 -11.559 -11.798 1.00 71.25 N ATOM 497 CA THR A 33 5.618 -10.637 -11.184 1.00 60.45 C ATOM 498 C THR A 33 4.595 -10.121 -12.202 1.00 33.40 C ATOM 499 O THR A 33 4.892 -9.988 -13.394 1.00 43.14 O ATOM 500 CB THR A 33 6.313 -9.417 -10.524 1.00 4.34 C ATOM 501 OG1 THR A 33 7.188 -8.769 -11.464 1.00 73.22 O ATOM 502 CG2 THR A 33 7.103 -9.828 -9.286 1.00 1.32 C ATOM 0 H THR A 33 7.010 -11.210 -12.660 1.00 71.25 H new ATOM 0 HA THR A 33 5.104 -11.218 -10.419 1.00 60.45 H new ATOM 0 HB THR A 33 5.533 -8.721 -10.217 1.00 4.34 H new ATOM 0 HG1 THR A 33 7.618 -8.000 -11.034 1.00 73.22 H new ATOM 0 HG21 THR A 33 7.577 -8.949 -8.849 1.00 1.32 H new ATOM 0 HG22 THR A 33 6.429 -10.277 -8.557 1.00 1.32 H new ATOM 0 HG23 THR A 33 7.869 -10.551 -9.567 1.00 1.32 H new ATOM 510 N SER A 34 3.387 -9.830 -11.719 1.00 32.53 N ATOM 511 CA SER A 34 2.307 -9.302 -12.566 1.00 34.32 C ATOM 512 C SER A 34 1.387 -8.366 -11.758 1.00 21.14 C ATOM 513 O SER A 34 1.046 -8.663 -10.610 1.00 52.13 O ATOM 514 CB SER A 34 1.487 -10.457 -13.164 1.00 63.25 C ATOM 515 OG SER A 34 0.464 -9.988 -14.030 1.00 73.12 O ATOM 0 H SER A 34 3.127 -9.951 -10.740 1.00 32.53 H new ATOM 0 HA SER A 34 2.758 -8.729 -13.376 1.00 34.32 H new ATOM 0 HB2 SER A 34 2.149 -11.126 -13.714 1.00 63.25 H new ATOM 0 HB3 SER A 34 1.041 -11.041 -12.359 1.00 63.25 H new ATOM 0 HG SER A 34 -0.034 -10.751 -14.391 1.00 73.12 H new ATOM 521 N PRO A 35 0.983 -7.214 -12.334 1.00 44.02 N ATOM 522 CA PRO A 35 0.115 -6.237 -11.643 1.00 64.33 C ATOM 523 C PRO A 35 -1.245 -6.829 -11.223 1.00 11.34 C ATOM 524 O PRO A 35 -1.996 -7.348 -12.056 1.00 44.44 O ATOM 525 CB PRO A 35 -0.079 -5.124 -12.686 1.00 24.10 C ATOM 526 CG PRO A 35 1.059 -5.285 -13.638 1.00 24.23 C ATOM 527 CD PRO A 35 1.340 -6.763 -13.690 1.00 51.44 C ATOM 0 HA PRO A 35 0.565 -5.894 -10.711 1.00 64.33 H new ATOM 0 HB2 PRO A 35 -1.037 -5.223 -13.196 1.00 24.10 H new ATOM 0 HB3 PRO A 35 -0.067 -4.139 -12.219 1.00 24.10 H new ATOM 0 HG2 PRO A 35 0.801 -4.900 -14.625 1.00 24.23 H new ATOM 0 HG3 PRO A 35 1.935 -4.732 -13.299 1.00 24.23 H new ATOM 0 HD2 PRO A 35 0.741 -7.261 -14.452 1.00 51.44 H new ATOM 0 HD3 PRO A 35 2.385 -6.968 -13.922 1.00 51.44 H new ATOM 535 N LEU A 36 -1.563 -6.746 -9.930 1.00 63.40 N ATOM 536 CA LEU A 36 -2.815 -7.305 -9.406 1.00 71.31 C ATOM 537 C LEU A 36 -3.889 -6.218 -9.213 1.00 22.01 C ATOM 538 O LEU A 36 -5.075 -6.452 -9.454 1.00 54.55 O ATOM 539 CB LEU A 36 -2.551 -8.026 -8.076 1.00 64.04 C ATOM 540 CG LEU A 36 -3.759 -8.755 -7.466 1.00 51.34 C ATOM 541 CD1 LEU A 36 -4.216 -9.897 -8.372 1.00 45.44 C ATOM 542 CD2 LEU A 36 -3.429 -9.269 -6.066 1.00 55.50 C ATOM 0 H LEU A 36 -0.975 -6.299 -9.227 1.00 63.40 H new ATOM 0 HA LEU A 36 -3.193 -8.018 -10.139 1.00 71.31 H new ATOM 0 HB2 LEU A 36 -1.751 -8.750 -8.228 1.00 64.04 H new ATOM 0 HB3 LEU A 36 -2.187 -7.296 -7.353 1.00 64.04 H new ATOM 0 HG LEU A 36 -4.580 -8.043 -7.380 1.00 51.34 H new ATOM 0 HD11 LEU A 36 -5.072 -10.399 -7.921 1.00 45.44 H new ATOM 0 HD12 LEU A 36 -4.501 -9.497 -9.345 1.00 45.44 H new ATOM 0 HD13 LEU A 36 -3.401 -10.610 -8.497 1.00 45.44 H new ATOM 0 HD21 LEU A 36 -4.298 -9.782 -5.653 1.00 55.50 H new ATOM 0 HD22 LEU A 36 -2.590 -9.963 -6.122 1.00 55.50 H new ATOM 0 HD23 LEU A 36 -3.163 -8.430 -5.423 1.00 55.50 H new ATOM 554 N THR A 37 -3.468 -5.031 -8.770 1.00 73.42 N ATOM 555 CA THR A 37 -4.395 -3.911 -8.513 1.00 61.32 C ATOM 556 C THR A 37 -3.804 -2.569 -8.971 1.00 14.22 C ATOM 557 O THR A 37 -2.594 -2.447 -9.164 1.00 74.20 O ATOM 558 CB THR A 37 -4.751 -3.802 -7.008 1.00 41.44 C ATOM 559 OG1 THR A 37 -3.550 -3.728 -6.228 1.00 22.41 O ATOM 560 CG2 THR A 37 -5.584 -4.993 -6.546 1.00 11.31 C ATOM 0 H THR A 37 -2.490 -4.814 -8.579 1.00 73.42 H new ATOM 0 HA THR A 37 -5.297 -4.124 -9.087 1.00 61.32 H new ATOM 0 HB THR A 37 -5.341 -2.896 -6.868 1.00 41.44 H new ATOM 0 HG1 THR A 37 -2.941 -4.447 -6.497 1.00 22.41 H new ATOM 0 HG21 THR A 37 -5.816 -4.885 -5.487 1.00 11.31 H new ATOM 0 HG22 THR A 37 -6.511 -5.033 -7.119 1.00 11.31 H new ATOM 0 HG23 THR A 37 -5.021 -5.913 -6.702 1.00 11.31 H new ATOM 568 N SER A 38 -4.668 -1.566 -9.147 1.00 64.33 N ATOM 569 CA SER A 38 -4.234 -0.219 -9.561 1.00 62.25 C ATOM 570 C SER A 38 -3.780 0.635 -8.363 1.00 44.05 C ATOM 571 O SER A 38 -3.875 0.216 -7.211 1.00 44.35 O ATOM 572 CB SER A 38 -5.367 0.502 -10.307 1.00 4.20 C ATOM 573 OG SER A 38 -4.960 1.790 -10.751 1.00 65.41 O ATOM 0 H SER A 38 -5.675 -1.656 -9.010 1.00 64.33 H new ATOM 0 HA SER A 38 -3.380 -0.347 -10.226 1.00 62.25 H new ATOM 0 HB2 SER A 38 -5.680 -0.097 -11.162 1.00 4.20 H new ATOM 0 HB3 SER A 38 -6.232 0.598 -9.651 1.00 4.20 H new ATOM 0 HG SER A 38 -5.702 2.223 -11.223 1.00 65.41 H new ATOM 579 N TYR A 39 -3.297 1.845 -8.648 1.00 13.13 N ATOM 580 CA TYR A 39 -2.794 2.751 -7.604 1.00 74.43 C ATOM 581 C TYR A 39 -3.898 3.684 -7.083 1.00 34.14 C ATOM 582 O TYR A 39 -4.428 4.514 -7.827 1.00 22.13 O ATOM 583 CB TYR A 39 -1.617 3.586 -8.136 1.00 30.13 C ATOM 584 CG TYR A 39 -0.375 2.766 -8.444 1.00 32.22 C ATOM 585 CD1 TYR A 39 -0.220 2.127 -9.671 1.00 51.14 C ATOM 586 CD2 TYR A 39 0.641 2.627 -7.502 1.00 21.42 C ATOM 587 CE1 TYR A 39 0.907 1.374 -9.948 1.00 54.04 C ATOM 588 CE2 TYR A 39 1.772 1.877 -7.773 1.00 75.45 C ATOM 589 CZ TYR A 39 1.900 1.254 -8.998 1.00 53.34 C ATOM 590 OH TYR A 39 3.019 0.504 -9.273 1.00 61.30 O ATOM 0 H TYR A 39 -3.242 2.224 -9.593 1.00 13.13 H new ATOM 0 HA TYR A 39 -2.452 2.132 -6.774 1.00 74.43 H new ATOM 0 HB2 TYR A 39 -1.932 4.106 -9.041 1.00 30.13 H new ATOM 0 HB3 TYR A 39 -1.364 4.350 -7.401 1.00 30.13 H new ATOM 0 HD1 TYR A 39 -0.993 2.221 -10.420 1.00 51.14 H new ATOM 0 HD2 TYR A 39 0.545 3.113 -6.543 1.00 21.42 H new ATOM 0 HE1 TYR A 39 1.009 0.882 -10.904 1.00 54.04 H new ATOM 0 HE2 TYR A 39 2.550 1.780 -7.030 1.00 75.45 H new ATOM 0 HH TYR A 39 3.717 0.705 -8.615 1.00 61.30 H new ATOM 600 N PHE A 40 -4.235 3.541 -5.802 1.00 33.43 N ATOM 601 CA PHE A 40 -5.253 4.389 -5.163 1.00 35.42 C ATOM 602 C PHE A 40 -4.596 5.570 -4.422 1.00 24.13 C ATOM 603 O PHE A 40 -3.650 5.381 -3.656 1.00 13.41 O ATOM 604 CB PHE A 40 -6.098 3.546 -4.197 1.00 41.35 C ATOM 605 CG PHE A 40 -6.660 2.300 -4.834 1.00 23.35 C ATOM 606 CD1 PHE A 40 -7.707 2.378 -5.740 1.00 54.51 C ATOM 607 CD2 PHE A 40 -6.136 1.051 -4.532 1.00 4.33 C ATOM 608 CE1 PHE A 40 -8.218 1.240 -6.332 1.00 33.30 C ATOM 609 CE2 PHE A 40 -6.645 -0.090 -5.122 1.00 22.23 C ATOM 610 CZ PHE A 40 -7.687 0.003 -6.022 1.00 61.13 C ATOM 0 H PHE A 40 -3.820 2.846 -5.181 1.00 33.43 H new ATOM 0 HA PHE A 40 -5.903 4.800 -5.936 1.00 35.42 H new ATOM 0 HB2 PHE A 40 -5.486 3.264 -3.340 1.00 41.35 H new ATOM 0 HB3 PHE A 40 -6.919 4.154 -3.817 1.00 41.35 H new ATOM 0 HD1 PHE A 40 -8.128 3.342 -5.986 1.00 54.51 H new ATOM 0 HD2 PHE A 40 -5.321 0.970 -3.828 1.00 4.33 H new ATOM 0 HE1 PHE A 40 -9.032 1.317 -7.037 1.00 33.30 H new ATOM 0 HE2 PHE A 40 -6.227 -1.056 -4.879 1.00 22.23 H new ATOM 0 HZ PHE A 40 -8.086 -0.889 -6.483 1.00 61.13 H new ATOM 620 N PHE A 41 -5.110 6.784 -4.647 1.00 32.10 N ATOM 621 CA PHE A 41 -4.476 8.008 -4.131 1.00 20.31 C ATOM 622 C PHE A 41 -5.079 8.481 -2.792 1.00 75.40 C ATOM 623 O PHE A 41 -6.256 8.834 -2.702 1.00 53.12 O ATOM 624 CB PHE A 41 -4.576 9.134 -5.171 1.00 54.40 C ATOM 625 CG PHE A 41 -3.832 8.845 -6.454 1.00 44.31 C ATOM 626 CD1 PHE A 41 -4.395 8.040 -7.435 1.00 24.41 C ATOM 627 CD2 PHE A 41 -2.570 9.376 -6.676 1.00 44.14 C ATOM 628 CE1 PHE A 41 -3.715 7.771 -8.608 1.00 2.12 C ATOM 629 CE2 PHE A 41 -1.886 9.110 -7.847 1.00 33.32 C ATOM 630 CZ PHE A 41 -2.459 8.306 -8.814 1.00 2.23 C ATOM 0 H PHE A 41 -5.963 6.948 -5.182 1.00 32.10 H new ATOM 0 HA PHE A 41 -3.431 7.763 -3.943 1.00 20.31 H new ATOM 0 HB2 PHE A 41 -5.626 9.310 -5.403 1.00 54.40 H new ATOM 0 HB3 PHE A 41 -4.187 10.054 -4.735 1.00 54.40 H new ATOM 0 HD1 PHE A 41 -5.377 7.618 -7.280 1.00 24.41 H new ATOM 0 HD2 PHE A 41 -2.116 10.005 -5.924 1.00 44.14 H new ATOM 0 HE1 PHE A 41 -4.166 7.143 -9.362 1.00 2.12 H new ATOM 0 HE2 PHE A 41 -0.904 9.530 -8.006 1.00 33.32 H new ATOM 0 HZ PHE A 41 -1.925 8.097 -9.729 1.00 2.23 H new ATOM 640 N TRP A 42 -4.237 8.497 -1.764 1.00 21.02 N ATOM 641 CA TRP A 42 -4.592 9.009 -0.432 1.00 65.41 C ATOM 642 C TRP A 42 -3.981 10.416 -0.227 1.00 14.12 C ATOM 643 O TRP A 42 -2.855 10.673 -0.655 1.00 22.33 O ATOM 644 CB TRP A 42 -4.086 8.005 0.629 1.00 33.15 C ATOM 645 CG TRP A 42 -3.960 8.542 2.031 1.00 53.21 C ATOM 646 CD1 TRP A 42 -2.816 8.982 2.630 1.00 10.44 C ATOM 647 CD2 TRP A 42 -4.998 8.670 3.014 1.00 44.42 C ATOM 648 NE1 TRP A 42 -3.073 9.381 3.911 1.00 32.52 N ATOM 649 CE2 TRP A 42 -4.407 9.207 4.173 1.00 42.33 C ATOM 650 CE3 TRP A 42 -6.367 8.393 3.021 1.00 62.33 C ATOM 651 CZ2 TRP A 42 -5.136 9.468 5.328 1.00 25.23 C ATOM 652 CZ3 TRP A 42 -7.092 8.653 4.170 1.00 14.12 C ATOM 653 CH2 TRP A 42 -6.476 9.187 5.308 1.00 41.43 C ATOM 0 H TRP A 42 -3.279 8.153 -1.826 1.00 21.02 H new ATOM 0 HA TRP A 42 -5.673 9.108 -0.334 1.00 65.41 H new ATOM 0 HB2 TRP A 42 -4.763 7.151 0.646 1.00 33.15 H new ATOM 0 HB3 TRP A 42 -3.111 7.632 0.314 1.00 33.15 H new ATOM 0 HD1 TRP A 42 -1.845 9.011 2.158 1.00 10.44 H new ATOM 0 HE1 TRP A 42 -2.384 9.749 4.567 1.00 32.52 H new ATOM 0 HE3 TRP A 42 -6.850 7.984 2.146 1.00 62.33 H new ATOM 0 HZ2 TRP A 42 -4.663 9.877 6.208 1.00 25.23 H new ATOM 0 HZ3 TRP A 42 -8.151 8.441 4.189 1.00 14.12 H new ATOM 0 HH2 TRP A 42 -7.070 9.381 6.189 1.00 41.43 H new ATOM 664 N PRO A 43 -4.707 11.364 0.411 1.00 11.24 N ATOM 665 CA PRO A 43 -6.055 11.160 0.959 1.00 41.11 C ATOM 666 C PRO A 43 -7.191 11.560 -0.002 1.00 61.43 C ATOM 667 O PRO A 43 -8.336 11.743 0.425 1.00 43.01 O ATOM 668 CB PRO A 43 -6.029 12.082 2.179 1.00 72.23 C ATOM 669 CG PRO A 43 -5.174 13.241 1.761 1.00 15.54 C ATOM 670 CD PRO A 43 -4.239 12.737 0.675 1.00 35.35 C ATOM 0 HA PRO A 43 -6.262 10.110 1.168 1.00 41.11 H new ATOM 0 HB2 PRO A 43 -7.033 12.408 2.451 1.00 72.23 H new ATOM 0 HB3 PRO A 43 -5.612 11.576 3.049 1.00 72.23 H new ATOM 0 HG2 PRO A 43 -5.790 14.060 1.389 1.00 15.54 H new ATOM 0 HG3 PRO A 43 -4.608 13.627 2.608 1.00 15.54 H new ATOM 0 HD2 PRO A 43 -4.295 13.357 -0.220 1.00 35.35 H new ATOM 0 HD3 PRO A 43 -3.200 12.748 1.006 1.00 35.35 H new ATOM 678 N ARG A 44 -6.879 11.676 -1.294 1.00 3.02 N ATOM 679 CA ARG A 44 -7.873 12.083 -2.297 1.00 75.45 C ATOM 680 C ARG A 44 -9.065 11.107 -2.350 1.00 44.44 C ATOM 681 O ARG A 44 -10.194 11.505 -2.642 1.00 33.11 O ATOM 682 CB ARG A 44 -7.218 12.198 -3.683 1.00 44.25 C ATOM 683 CG ARG A 44 -6.076 13.213 -3.746 1.00 21.22 C ATOM 684 CD ARG A 44 -5.596 13.448 -5.177 1.00 71.40 C ATOM 685 NE ARG A 44 -6.651 14.015 -6.021 1.00 42.05 N ATOM 686 CZ ARG A 44 -6.456 14.905 -6.958 1.00 74.21 C ATOM 687 NH1 ARG A 44 -5.265 15.330 -7.230 1.00 2.22 N ATOM 688 NH2 ARG A 44 -7.462 15.361 -7.630 1.00 74.21 N ATOM 0 H ARG A 44 -5.949 11.495 -1.673 1.00 3.02 H new ATOM 0 HA ARG A 44 -8.258 13.059 -2.001 1.00 75.45 H new ATOM 0 HB2 ARG A 44 -6.838 11.220 -3.977 1.00 44.25 H new ATOM 0 HB3 ARG A 44 -7.979 12.476 -4.412 1.00 44.25 H new ATOM 0 HG2 ARG A 44 -6.407 14.158 -3.315 1.00 21.22 H new ATOM 0 HG3 ARG A 44 -5.243 12.860 -3.138 1.00 21.22 H new ATOM 0 HD2 ARG A 44 -4.739 14.121 -5.166 1.00 71.40 H new ATOM 0 HD3 ARG A 44 -5.256 12.505 -5.605 1.00 71.40 H new ATOM 0 HE ARG A 44 -7.606 13.692 -5.866 1.00 42.05 H new ATOM 0 HH11 ARG A 44 -4.464 14.970 -6.711 1.00 2.22 H new ATOM 0 HH12 ARG A 44 -5.127 16.025 -7.964 1.00 2.22 H new ATOM 0 HH21 ARG A 44 -8.404 15.026 -7.428 1.00 74.21 H new ATOM 0 HH22 ARG A 44 -7.314 16.056 -8.362 1.00 74.21 H new ATOM 702 N ALA A 45 -8.806 9.834 -2.063 1.00 41.24 N ATOM 703 CA ALA A 45 -9.857 8.811 -2.033 1.00 73.33 C ATOM 704 C ALA A 45 -9.621 7.792 -0.912 1.00 15.23 C ATOM 705 O ALA A 45 -8.548 7.755 -0.305 1.00 33.02 O ATOM 706 CB ALA A 45 -9.932 8.097 -3.377 1.00 30.40 C ATOM 0 H ALA A 45 -7.874 9.481 -1.846 1.00 41.24 H new ATOM 0 HA ALA A 45 -10.804 9.314 -1.835 1.00 73.33 H new ATOM 0 HB1 ALA A 45 -10.715 7.340 -3.344 1.00 30.40 H new ATOM 0 HB2 ALA A 45 -10.159 8.820 -4.161 1.00 30.40 H new ATOM 0 HB3 ALA A 45 -8.975 7.620 -3.590 1.00 30.40 H new ATOM 712 N ASP A 46 -10.631 6.962 -0.644 1.00 22.33 N ATOM 713 CA ASP A 46 -10.513 5.892 0.351 1.00 75.43 C ATOM 714 C ASP A 46 -9.559 4.793 -0.146 1.00 41.02 C ATOM 715 O ASP A 46 -9.989 3.757 -0.655 1.00 43.01 O ATOM 716 CB ASP A 46 -11.894 5.302 0.663 1.00 73.42 C ATOM 717 CG ASP A 46 -12.891 6.372 1.066 1.00 43.25 C ATOM 718 OD1 ASP A 46 -12.934 6.737 2.261 1.00 45.13 O ATOM 719 OD2 ASP A 46 -13.630 6.860 0.185 1.00 31.54 O ATOM 0 H ASP A 46 -11.541 7.010 -1.102 1.00 22.33 H new ATOM 0 HA ASP A 46 -10.100 6.315 1.266 1.00 75.43 H new ATOM 0 HB2 ASP A 46 -12.267 4.770 -0.212 1.00 73.42 H new ATOM 0 HB3 ASP A 46 -11.803 4.570 1.466 1.00 73.42 H new ATOM 724 N ALA A 47 -8.260 5.049 -0.024 1.00 70.22 N ATOM 725 CA ALA A 47 -7.229 4.147 -0.550 1.00 61.41 C ATOM 726 C ALA A 47 -7.361 2.717 -0.002 1.00 54.20 C ATOM 727 O ALA A 47 -7.417 1.751 -0.766 1.00 43.14 O ATOM 728 CB ALA A 47 -5.845 4.708 -0.240 1.00 43.02 C ATOM 0 H ALA A 47 -7.890 5.880 0.438 1.00 70.22 H new ATOM 0 HA ALA A 47 -7.369 4.086 -1.629 1.00 61.41 H new ATOM 0 HB1 ALA A 47 -5.083 4.035 -0.633 1.00 43.02 H new ATOM 0 HB2 ALA A 47 -5.737 5.688 -0.705 1.00 43.02 H new ATOM 0 HB3 ALA A 47 -5.724 4.803 0.839 1.00 43.02 H new ATOM 734 N TRP A 48 -7.429 2.590 1.317 1.00 40.34 N ATOM 735 CA TRP A 48 -7.468 1.277 1.969 1.00 0.42 C ATOM 736 C TRP A 48 -8.784 0.532 1.673 1.00 34.13 C ATOM 737 O TRP A 48 -8.781 -0.669 1.399 1.00 60.30 O ATOM 738 CB TRP A 48 -7.275 1.441 3.481 1.00 2.51 C ATOM 739 CG TRP A 48 -7.018 0.145 4.193 1.00 12.05 C ATOM 740 CD1 TRP A 48 -5.863 -0.582 4.172 1.00 70.14 C ATOM 741 CD2 TRP A 48 -7.929 -0.573 5.035 1.00 0.43 C ATOM 742 NE1 TRP A 48 -6.003 -1.710 4.938 1.00 44.34 N ATOM 743 CE2 TRP A 48 -7.259 -1.728 5.479 1.00 3.12 C ATOM 744 CE3 TRP A 48 -9.246 -0.354 5.455 1.00 73.43 C ATOM 745 CZ2 TRP A 48 -7.859 -2.658 6.324 1.00 52.20 C ATOM 746 CZ3 TRP A 48 -9.840 -1.280 6.293 1.00 60.10 C ATOM 747 CH2 TRP A 48 -9.147 -2.421 6.719 1.00 2.22 C ATOM 0 H TRP A 48 -7.459 3.379 1.962 1.00 40.34 H new ATOM 0 HA TRP A 48 -6.654 0.675 1.564 1.00 0.42 H new ATOM 0 HB2 TRP A 48 -6.440 2.118 3.662 1.00 2.51 H new ATOM 0 HB3 TRP A 48 -8.163 1.910 3.904 1.00 2.51 H new ATOM 0 HD1 TRP A 48 -4.969 -0.308 3.631 1.00 70.14 H new ATOM 0 HE1 TRP A 48 -5.286 -2.421 5.081 1.00 44.34 H new ATOM 0 HE3 TRP A 48 -9.788 0.522 5.131 1.00 73.43 H new ATOM 0 HZ2 TRP A 48 -7.326 -3.536 6.656 1.00 52.20 H new ATOM 0 HZ3 TRP A 48 -10.855 -1.121 6.625 1.00 60.10 H new ATOM 0 HH2 TRP A 48 -9.639 -3.127 7.372 1.00 2.22 H new ATOM 758 N GLN A 49 -9.905 1.250 1.724 1.00 41.45 N ATOM 759 CA GLN A 49 -11.223 0.656 1.458 1.00 63.34 C ATOM 760 C GLN A 49 -11.309 0.094 0.028 1.00 23.03 C ATOM 761 O GLN A 49 -11.848 -0.995 -0.196 1.00 34.13 O ATOM 762 CB GLN A 49 -12.334 1.693 1.684 1.00 1.43 C ATOM 763 CG GLN A 49 -13.743 1.131 1.515 1.00 40.32 C ATOM 764 CD GLN A 49 -14.069 0.018 2.504 1.00 54.21 C ATOM 765 OE1 GLN A 49 -13.522 0.096 3.703 1.00 21.04 O flip ATOM 766 NE2 GLN A 49 -14.821 -0.901 2.196 1.00 3.30 N flip ATOM 0 H GLN A 49 -9.931 2.245 1.947 1.00 41.45 H new ATOM 0 HA GLN A 49 -11.359 -0.171 2.155 1.00 63.34 H new ATOM 0 HB2 GLN A 49 -12.235 2.105 2.688 1.00 1.43 H new ATOM 0 HB3 GLN A 49 -12.196 2.518 0.986 1.00 1.43 H new ATOM 0 HG2 GLN A 49 -14.466 1.938 1.635 1.00 40.32 H new ATOM 0 HG3 GLN A 49 -13.856 0.751 0.500 1.00 40.32 H new ATOM 0 HE21 GLN A 49 -15.229 -0.935 1.262 1.00 3.30 H new ATOM 0 HE22 GLN A 49 -15.038 -1.631 2.874 1.00 3.30 H new ATOM 775 N GLN A 50 -10.776 0.841 -0.935 1.00 13.44 N ATOM 776 CA GLN A 50 -10.735 0.388 -2.330 1.00 22.25 C ATOM 777 C GLN A 50 -9.801 -0.824 -2.485 1.00 20.31 C ATOM 778 O GLN A 50 -10.162 -1.827 -3.103 1.00 22.55 O ATOM 779 CB GLN A 50 -10.270 1.526 -3.252 1.00 41.41 C ATOM 780 CG GLN A 50 -11.182 2.750 -3.239 1.00 63.31 C ATOM 781 CD GLN A 50 -10.639 3.897 -4.076 1.00 64.21 C ATOM 782 OE1 GLN A 50 -9.835 4.746 -3.471 1.00 41.14 O flip ATOM 783 NE2 GLN A 50 -10.934 4.015 -5.259 1.00 15.21 N flip ATOM 0 H GLN A 50 -10.366 1.762 -0.779 1.00 13.44 H new ATOM 0 HA GLN A 50 -11.744 0.089 -2.616 1.00 22.25 H new ATOM 0 HB2 GLN A 50 -9.266 1.831 -2.957 1.00 41.41 H new ATOM 0 HB3 GLN A 50 -10.202 1.148 -4.272 1.00 41.41 H new ATOM 0 HG2 GLN A 50 -12.167 2.468 -3.612 1.00 63.31 H new ATOM 0 HG3 GLN A 50 -11.315 3.087 -2.211 1.00 63.31 H new ATOM 0 HE21 GLN A 50 -11.560 3.340 -5.698 1.00 15.21 H new ATOM 0 HE22 GLN A 50 -10.554 4.788 -5.805 1.00 15.21 H new ATOM 792 N LEU A 51 -8.608 -0.726 -1.898 1.00 25.13 N ATOM 793 CA LEU A 51 -7.607 -1.792 -1.981 1.00 2.24 C ATOM 794 C LEU A 51 -8.123 -3.112 -1.378 1.00 3.03 C ATOM 795 O LEU A 51 -8.054 -4.164 -2.018 1.00 53.42 O ATOM 796 CB LEU A 51 -6.316 -1.360 -1.271 1.00 13.34 C ATOM 797 CG LEU A 51 -5.140 -2.350 -1.383 1.00 50.33 C ATOM 798 CD1 LEU A 51 -4.723 -2.537 -2.843 1.00 32.44 C ATOM 799 CD2 LEU A 51 -3.955 -1.888 -0.533 1.00 12.42 C ATOM 0 H LEU A 51 -8.309 0.085 -1.357 1.00 25.13 H new ATOM 0 HA LEU A 51 -7.401 -1.968 -3.037 1.00 2.24 H new ATOM 0 HB2 LEU A 51 -6.001 -0.399 -1.678 1.00 13.34 H new ATOM 0 HB3 LEU A 51 -6.537 -1.202 -0.215 1.00 13.34 H new ATOM 0 HG LEU A 51 -5.473 -3.315 -1.000 1.00 50.33 H new ATOM 0 HD11 LEU A 51 -3.892 -3.240 -2.897 1.00 32.44 H new ATOM 0 HD12 LEU A 51 -5.565 -2.927 -3.415 1.00 32.44 H new ATOM 0 HD13 LEU A 51 -4.415 -1.578 -3.259 1.00 32.44 H new ATOM 0 HD21 LEU A 51 -3.138 -2.603 -0.629 1.00 12.42 H new ATOM 0 HD22 LEU A 51 -3.622 -0.908 -0.875 1.00 12.42 H new ATOM 0 HD23 LEU A 51 -4.260 -1.823 0.511 1.00 12.42 H new ATOM 811 N LYS A 52 -8.648 -3.054 -0.151 1.00 4.32 N ATOM 812 CA LYS A 52 -9.152 -4.257 0.521 1.00 32.43 C ATOM 813 C LYS A 52 -10.258 -4.924 -0.303 1.00 11.13 C ATOM 814 O LYS A 52 -10.255 -6.138 -0.489 1.00 35.15 O ATOM 815 CB LYS A 52 -9.660 -3.940 1.942 1.00 72.25 C ATOM 816 CG LYS A 52 -10.974 -3.160 1.994 1.00 35.33 C ATOM 817 CD LYS A 52 -11.421 -2.879 3.427 1.00 42.30 C ATOM 818 CE LYS A 52 -11.675 -4.161 4.219 1.00 41.24 C ATOM 819 NZ LYS A 52 -12.840 -4.930 3.699 1.00 1.22 N ATOM 0 H LYS A 52 -8.735 -2.196 0.394 1.00 4.32 H new ATOM 0 HA LYS A 52 -8.317 -4.953 0.609 1.00 32.43 H new ATOM 0 HB2 LYS A 52 -9.788 -4.877 2.484 1.00 72.25 H new ATOM 0 HB3 LYS A 52 -8.894 -3.370 2.468 1.00 72.25 H new ATOM 0 HG2 LYS A 52 -10.856 -2.217 1.460 1.00 35.33 H new ATOM 0 HG3 LYS A 52 -11.750 -3.724 1.477 1.00 35.33 H new ATOM 0 HD2 LYS A 52 -10.658 -2.287 3.933 1.00 42.30 H new ATOM 0 HD3 LYS A 52 -12.331 -2.279 3.410 1.00 42.30 H new ATOM 0 HE2 LYS A 52 -10.784 -4.789 4.184 1.00 41.24 H new ATOM 0 HE3 LYS A 52 -11.847 -3.910 5.266 1.00 41.24 H new ATOM 0 HZ1 LYS A 52 -13.087 -5.684 4.372 1.00 1.22 H new ATOM 0 HZ2 LYS A 52 -13.652 -4.292 3.581 1.00 1.22 H new ATOM 0 HZ3 LYS A 52 -12.595 -5.352 2.781 1.00 1.22 H new ATOM 833 N ASP A 53 -11.186 -4.121 -0.819 1.00 1.42 N ATOM 834 CA ASP A 53 -12.296 -4.637 -1.617 1.00 30.42 C ATOM 835 C ASP A 53 -11.787 -5.374 -2.870 1.00 32.35 C ATOM 836 O ASP A 53 -12.302 -6.432 -3.231 1.00 23.25 O ATOM 837 CB ASP A 53 -13.236 -3.493 -2.007 1.00 41.12 C ATOM 838 CG ASP A 53 -14.480 -3.986 -2.721 1.00 22.34 C ATOM 839 OD1 ASP A 53 -15.172 -4.864 -2.170 1.00 10.34 O ATOM 840 OD2 ASP A 53 -14.777 -3.485 -3.826 1.00 54.50 O ATOM 0 H ASP A 53 -11.191 -3.108 -0.698 1.00 1.42 H new ATOM 0 HA ASP A 53 -12.847 -5.357 -1.012 1.00 30.42 H new ATOM 0 HB2 ASP A 53 -13.528 -2.944 -1.111 1.00 41.12 H new ATOM 0 HB3 ASP A 53 -12.704 -2.793 -2.651 1.00 41.12 H new ATOM 845 N GLU A 54 -10.764 -4.815 -3.513 1.00 34.23 N ATOM 846 CA GLU A 54 -10.143 -5.454 -4.680 1.00 35.53 C ATOM 847 C GLU A 54 -9.518 -6.812 -4.325 1.00 12.31 C ATOM 848 O GLU A 54 -9.694 -7.792 -5.048 1.00 10.10 O ATOM 849 CB GLU A 54 -9.079 -4.528 -5.293 1.00 35.24 C ATOM 850 CG GLU A 54 -9.658 -3.388 -6.125 1.00 53.04 C ATOM 851 CD GLU A 54 -10.242 -3.867 -7.448 1.00 51.24 C ATOM 852 OE1 GLU A 54 -11.330 -4.485 -7.440 1.00 10.54 O ATOM 853 OE2 GLU A 54 -9.612 -3.630 -8.505 1.00 72.33 O ATOM 0 H GLU A 54 -10.345 -3.923 -3.249 1.00 34.23 H new ATOM 0 HA GLU A 54 -10.931 -5.633 -5.412 1.00 35.53 H new ATOM 0 HB2 GLU A 54 -8.472 -4.108 -4.491 1.00 35.24 H new ATOM 0 HB3 GLU A 54 -8.413 -5.121 -5.920 1.00 35.24 H new ATOM 0 HG2 GLU A 54 -10.434 -2.882 -5.551 1.00 53.04 H new ATOM 0 HG3 GLU A 54 -8.877 -2.653 -6.321 1.00 53.04 H new ATOM 860 N LEU A 55 -8.790 -6.862 -3.211 1.00 1.41 N ATOM 861 CA LEU A 55 -8.130 -8.099 -2.765 1.00 43.13 C ATOM 862 C LEU A 55 -9.144 -9.166 -2.316 1.00 64.30 C ATOM 863 O LEU A 55 -9.024 -10.338 -2.667 1.00 42.35 O ATOM 864 CB LEU A 55 -7.161 -7.792 -1.614 1.00 1.52 C ATOM 865 CG LEU A 55 -6.027 -6.809 -1.951 1.00 4.41 C ATOM 866 CD1 LEU A 55 -5.157 -6.545 -0.725 1.00 50.24 C ATOM 867 CD2 LEU A 55 -5.180 -7.330 -3.113 1.00 1.23 C ATOM 0 H LEU A 55 -8.639 -6.062 -2.596 1.00 1.41 H new ATOM 0 HA LEU A 55 -7.580 -8.500 -3.617 1.00 43.13 H new ATOM 0 HB2 LEU A 55 -7.733 -7.388 -0.778 1.00 1.52 H new ATOM 0 HB3 LEU A 55 -6.718 -8.728 -1.275 1.00 1.52 H new ATOM 0 HG LEU A 55 -6.479 -5.866 -2.258 1.00 4.41 H new ATOM 0 HD11 LEU A 55 -4.362 -5.847 -0.987 1.00 50.24 H new ATOM 0 HD12 LEU A 55 -5.768 -6.117 0.070 1.00 50.24 H new ATOM 0 HD13 LEU A 55 -4.719 -7.482 -0.381 1.00 50.24 H new ATOM 0 HD21 LEU A 55 -4.385 -6.617 -3.332 1.00 1.23 H new ATOM 0 HD22 LEU A 55 -4.742 -8.290 -2.842 1.00 1.23 H new ATOM 0 HD23 LEU A 55 -5.809 -7.454 -3.995 1.00 1.23 H new ATOM 879 N GLU A 56 -10.143 -8.746 -1.545 1.00 31.03 N ATOM 880 CA GLU A 56 -11.141 -9.666 -0.983 1.00 0.41 C ATOM 881 C GLU A 56 -12.131 -10.162 -2.050 1.00 72.23 C ATOM 882 O GLU A 56 -12.652 -11.277 -1.952 1.00 73.23 O ATOM 883 CB GLU A 56 -11.891 -8.976 0.161 1.00 55.14 C ATOM 884 CG GLU A 56 -10.968 -8.453 1.261 1.00 44.34 C ATOM 885 CD GLU A 56 -11.696 -7.646 2.324 1.00 31.24 C ATOM 886 OE1 GLU A 56 -12.515 -6.778 1.955 1.00 5.51 O ATOM 887 OE2 GLU A 56 -11.451 -7.874 3.530 1.00 10.21 O ATOM 0 H GLU A 56 -10.288 -7.769 -1.291 1.00 31.03 H new ATOM 0 HA GLU A 56 -10.614 -10.540 -0.601 1.00 0.41 H new ATOM 0 HB2 GLU A 56 -12.470 -8.146 -0.243 1.00 55.14 H new ATOM 0 HB3 GLU A 56 -12.601 -9.679 0.596 1.00 55.14 H new ATOM 0 HG2 GLU A 56 -10.466 -9.296 1.735 1.00 44.34 H new ATOM 0 HG3 GLU A 56 -10.193 -7.832 0.811 1.00 44.34 H new ATOM 894 N ALA A 57 -12.399 -9.331 -3.060 1.00 75.25 N ATOM 895 CA ALA A 57 -13.236 -9.741 -4.194 1.00 53.32 C ATOM 896 C ALA A 57 -12.603 -10.929 -4.935 1.00 24.53 C ATOM 897 O ALA A 57 -13.299 -11.811 -5.449 1.00 44.33 O ATOM 898 CB ALA A 57 -13.442 -8.569 -5.147 1.00 42.51 C ATOM 0 H ALA A 57 -12.051 -8.374 -3.117 1.00 75.25 H new ATOM 0 HA ALA A 57 -14.206 -10.056 -3.810 1.00 53.32 H new ATOM 0 HB1 ALA A 57 -14.064 -8.886 -5.984 1.00 42.51 H new ATOM 0 HB2 ALA A 57 -13.933 -7.752 -4.618 1.00 42.51 H new ATOM 0 HB3 ALA A 57 -12.476 -8.230 -5.521 1.00 42.51 H new ATOM 904 N LYS A 58 -11.273 -10.942 -4.977 1.00 15.53 N ATOM 905 CA LYS A 58 -10.522 -12.045 -5.573 1.00 55.02 C ATOM 906 C LYS A 58 -10.442 -13.225 -4.590 1.00 3.25 C ATOM 907 O LYS A 58 -9.552 -13.283 -3.743 1.00 14.21 O ATOM 908 CB LYS A 58 -9.113 -11.573 -5.950 1.00 62.33 C ATOM 909 CG LYS A 58 -9.087 -10.324 -6.824 1.00 24.13 C ATOM 910 CD LYS A 58 -7.664 -9.806 -7.031 1.00 30.42 C ATOM 911 CE LYS A 58 -7.641 -8.513 -7.841 1.00 63.34 C ATOM 912 NZ LYS A 58 -8.267 -8.676 -9.180 1.00 52.11 N ATOM 0 H LYS A 58 -10.689 -10.195 -4.602 1.00 15.53 H new ATOM 0 HA LYS A 58 -11.037 -12.377 -6.475 1.00 55.02 H new ATOM 0 HB2 LYS A 58 -8.551 -11.376 -5.037 1.00 62.33 H new ATOM 0 HB3 LYS A 58 -8.599 -12.380 -6.473 1.00 62.33 H new ATOM 0 HG2 LYS A 58 -9.537 -10.548 -7.791 1.00 24.13 H new ATOM 0 HG3 LYS A 58 -9.694 -9.545 -6.363 1.00 24.13 H new ATOM 0 HD2 LYS A 58 -7.195 -9.636 -6.062 1.00 30.42 H new ATOM 0 HD3 LYS A 58 -7.072 -10.565 -7.542 1.00 30.42 H new ATOM 0 HE2 LYS A 58 -8.165 -7.732 -7.290 1.00 63.34 H new ATOM 0 HE3 LYS A 58 -6.610 -8.181 -7.962 1.00 63.34 H new ATOM 0 HZ1 LYS A 58 -8.109 -7.817 -9.744 1.00 52.11 H new ATOM 0 HZ2 LYS A 58 -7.842 -9.492 -9.665 1.00 52.11 H new ATOM 0 HZ3 LYS A 58 -9.289 -8.834 -9.069 1.00 52.11 H new ATOM 926 N HIS A 59 -11.375 -14.165 -4.709 1.00 12.43 N ATOM 927 CA HIS A 59 -11.498 -15.256 -3.732 1.00 62.21 C ATOM 928 C HIS A 59 -10.326 -16.256 -3.801 1.00 72.34 C ATOM 929 O HIS A 59 -10.270 -17.208 -3.020 1.00 13.40 O ATOM 930 CB HIS A 59 -12.839 -15.978 -3.912 1.00 61.10 C ATOM 931 CG HIS A 59 -14.027 -15.073 -3.753 1.00 24.41 C ATOM 932 ND1 HIS A 59 -15.028 -14.969 -4.691 1.00 23.54 N ATOM 933 CD2 HIS A 59 -14.370 -14.229 -2.749 1.00 45.31 C ATOM 934 CE1 HIS A 59 -15.933 -14.104 -4.278 1.00 33.42 C ATOM 935 NE2 HIS A 59 -15.559 -13.641 -3.104 1.00 14.33 N ATOM 0 H HIS A 59 -12.057 -14.198 -5.467 1.00 12.43 H new ATOM 0 HA HIS A 59 -11.461 -14.804 -2.741 1.00 62.21 H new ATOM 0 HB2 HIS A 59 -12.868 -16.434 -4.902 1.00 61.10 H new ATOM 0 HB3 HIS A 59 -12.908 -16.788 -3.186 1.00 61.10 H new ATOM 0 HD2 HIS A 59 -13.813 -14.052 -1.841 1.00 45.31 H new ATOM 0 HE1 HIS A 59 -16.829 -13.823 -4.812 1.00 33.42 H new ATOM 0 HE2 HIS A 59 -16.070 -12.956 -2.548 1.00 14.33 H new ATOM 944 N TRP A 60 -9.397 -16.040 -4.732 1.00 0.43 N ATOM 945 CA TRP A 60 -8.196 -16.880 -4.838 1.00 14.53 C ATOM 946 C TRP A 60 -7.010 -16.285 -4.050 1.00 44.11 C ATOM 947 O TRP A 60 -5.905 -16.825 -4.074 1.00 65.31 O ATOM 948 CB TRP A 60 -7.820 -17.104 -6.317 1.00 62.30 C ATOM 949 CG TRP A 60 -7.542 -15.844 -7.094 1.00 4.34 C ATOM 950 CD1 TRP A 60 -8.462 -14.973 -7.610 1.00 23.43 C ATOM 951 CD2 TRP A 60 -6.253 -15.334 -7.471 1.00 60.13 C ATOM 952 NE1 TRP A 60 -7.825 -13.948 -8.268 1.00 23.24 N ATOM 953 CE2 TRP A 60 -6.471 -14.149 -8.199 1.00 65.11 C ATOM 954 CE3 TRP A 60 -4.937 -15.762 -7.256 1.00 42.40 C ATOM 955 CZ2 TRP A 60 -5.423 -13.390 -8.715 1.00 30.44 C ATOM 956 CZ3 TRP A 60 -3.898 -15.007 -7.770 1.00 24.43 C ATOM 957 CH2 TRP A 60 -4.146 -13.832 -8.490 1.00 32.24 C ATOM 0 H TRP A 60 -9.449 -15.293 -5.424 1.00 0.43 H new ATOM 0 HA TRP A 60 -8.428 -17.846 -4.390 1.00 14.53 H new ATOM 0 HB2 TRP A 60 -6.938 -17.743 -6.361 1.00 62.30 H new ATOM 0 HB3 TRP A 60 -8.630 -17.645 -6.806 1.00 62.30 H new ATOM 0 HD1 TRP A 60 -9.533 -15.076 -7.514 1.00 23.43 H new ATOM 0 HE1 TRP A 60 -8.285 -13.165 -8.732 1.00 23.24 H new ATOM 0 HE3 TRP A 60 -4.737 -16.665 -6.699 1.00 42.40 H new ATOM 0 HZ2 TRP A 60 -5.611 -12.485 -9.273 1.00 30.44 H new ATOM 0 HZ3 TRP A 60 -2.879 -15.329 -7.613 1.00 24.43 H new ATOM 0 HH2 TRP A 60 -3.313 -13.262 -8.876 1.00 32.24 H new ATOM 968 N ILE A 61 -7.249 -15.174 -3.348 1.00 43.23 N ATOM 969 CA ILE A 61 -6.226 -14.555 -2.487 1.00 32.32 C ATOM 970 C ILE A 61 -6.290 -15.118 -1.054 1.00 62.22 C ATOM 971 O ILE A 61 -7.358 -15.164 -0.440 1.00 60.15 O ATOM 972 CB ILE A 61 -6.380 -13.001 -2.447 1.00 4.11 C ATOM 973 CG1 ILE A 61 -5.699 -12.337 -3.660 1.00 61.04 C ATOM 974 CG2 ILE A 61 -5.821 -12.412 -1.149 1.00 43.21 C ATOM 975 CD1 ILE A 61 -6.128 -12.887 -4.999 1.00 25.42 C ATOM 0 H ILE A 61 -8.142 -14.681 -3.356 1.00 43.23 H new ATOM 0 HA ILE A 61 -5.255 -14.799 -2.919 1.00 32.32 H new ATOM 0 HB ILE A 61 -7.448 -12.789 -2.489 1.00 4.11 H new ATOM 0 HG12 ILE A 61 -5.908 -11.267 -3.637 1.00 61.04 H new ATOM 0 HG13 ILE A 61 -4.620 -12.453 -3.563 1.00 61.04 H new ATOM 0 HG21 ILE A 61 -5.946 -11.329 -1.157 1.00 43.21 H new ATOM 0 HG22 ILE A 61 -6.357 -12.832 -0.298 1.00 43.21 H new ATOM 0 HG23 ILE A 61 -4.762 -12.654 -1.066 1.00 43.21 H new ATOM 0 HD11 ILE A 61 -5.599 -12.362 -5.794 1.00 25.42 H new ATOM 0 HD12 ILE A 61 -5.893 -13.950 -5.048 1.00 25.42 H new ATOM 0 HD13 ILE A 61 -7.202 -12.746 -5.123 1.00 25.42 H new ATOM 987 N ALA A 62 -5.139 -15.544 -0.527 1.00 63.33 N ATOM 988 CA ALA A 62 -5.052 -16.044 0.852 1.00 11.21 C ATOM 989 C ALA A 62 -5.364 -14.936 1.872 1.00 32.52 C ATOM 990 O ALA A 62 -4.835 -13.826 1.776 1.00 43.24 O ATOM 991 CB ALA A 62 -3.669 -16.634 1.108 1.00 51.14 C ATOM 0 H ALA A 62 -4.253 -15.554 -1.033 1.00 63.33 H new ATOM 0 HA ALA A 62 -5.801 -16.826 0.977 1.00 11.21 H new ATOM 0 HB1 ALA A 62 -3.614 -17.002 2.133 1.00 51.14 H new ATOM 0 HB2 ALA A 62 -3.491 -17.458 0.417 1.00 51.14 H new ATOM 0 HB3 ALA A 62 -2.912 -15.865 0.958 1.00 51.14 H new ATOM 997 N GLU A 63 -6.206 -15.244 2.858 1.00 13.21 N ATOM 998 CA GLU A 63 -6.659 -14.246 3.830 1.00 22.00 C ATOM 999 C GLU A 63 -5.497 -13.673 4.655 1.00 14.24 C ATOM 1000 O GLU A 63 -5.389 -12.457 4.808 1.00 62.34 O ATOM 1001 CB GLU A 63 -7.723 -14.836 4.761 1.00 1.22 C ATOM 1002 CG GLU A 63 -8.229 -13.848 5.810 1.00 35.20 C ATOM 1003 CD GLU A 63 -9.441 -14.359 6.571 1.00 11.43 C ATOM 1004 OE1 GLU A 63 -9.263 -15.019 7.617 1.00 70.13 O ATOM 1005 OE2 GLU A 63 -10.580 -14.095 6.127 1.00 15.00 O ATOM 0 H GLU A 63 -6.589 -16.178 3.006 1.00 13.21 H new ATOM 0 HA GLU A 63 -7.098 -13.426 3.261 1.00 22.00 H new ATOM 0 HB2 GLU A 63 -8.566 -15.183 4.163 1.00 1.22 H new ATOM 0 HB3 GLU A 63 -7.309 -15.709 5.265 1.00 1.22 H new ATOM 0 HG2 GLU A 63 -7.427 -13.634 6.516 1.00 35.20 H new ATOM 0 HG3 GLU A 63 -8.483 -12.907 5.322 1.00 35.20 H new ATOM 1012 N ALA A 64 -4.632 -14.542 5.176 1.00 3.32 N ATOM 1013 CA ALA A 64 -3.478 -14.093 5.973 1.00 4.12 C ATOM 1014 C ALA A 64 -2.607 -13.098 5.184 1.00 31.55 C ATOM 1015 O ALA A 64 -2.221 -12.048 5.700 1.00 43.31 O ATOM 1016 CB ALA A 64 -2.649 -15.289 6.427 1.00 32.03 C ATOM 0 H ALA A 64 -4.702 -15.554 5.065 1.00 3.32 H new ATOM 0 HA ALA A 64 -3.858 -13.576 6.854 1.00 4.12 H new ATOM 0 HB1 ALA A 64 -1.800 -14.941 7.015 1.00 32.03 H new ATOM 0 HB2 ALA A 64 -3.266 -15.949 7.037 1.00 32.03 H new ATOM 0 HB3 ALA A 64 -2.288 -15.833 5.555 1.00 32.03 H new ATOM 1022 N ASP A 65 -2.316 -13.435 3.927 1.00 40.23 N ATOM 1023 CA ASP A 65 -1.570 -12.546 3.028 1.00 52.12 C ATOM 1024 C ASP A 65 -2.344 -11.241 2.758 1.00 32.15 C ATOM 1025 O ASP A 65 -1.771 -10.149 2.784 1.00 75.34 O ATOM 1026 CB ASP A 65 -1.280 -13.270 1.709 1.00 3.00 C ATOM 1027 CG ASP A 65 -0.361 -14.466 1.899 1.00 75.31 C ATOM 1028 OD1 ASP A 65 -0.779 -15.449 2.548 1.00 43.23 O ATOM 1029 OD2 ASP A 65 0.784 -14.432 1.403 1.00 3.43 O ATOM 0 H ASP A 65 -2.587 -14.323 3.504 1.00 40.23 H new ATOM 0 HA ASP A 65 -0.630 -12.281 3.513 1.00 52.12 H new ATOM 0 HB2 ASP A 65 -2.218 -13.602 1.265 1.00 3.00 H new ATOM 0 HB3 ASP A 65 -0.825 -12.572 1.006 1.00 3.00 H new ATOM 1034 N ARG A 66 -3.647 -11.370 2.506 1.00 32.43 N ATOM 1035 CA ARG A 66 -4.521 -10.216 2.269 1.00 50.31 C ATOM 1036 C ARG A 66 -4.504 -9.246 3.464 1.00 5.33 C ATOM 1037 O ARG A 66 -4.404 -8.035 3.287 1.00 25.51 O ATOM 1038 CB ARG A 66 -5.954 -10.706 1.954 1.00 40.05 C ATOM 1039 CG ARG A 66 -7.060 -10.135 2.843 1.00 44.41 C ATOM 1040 CD ARG A 66 -8.407 -10.790 2.545 1.00 13.12 C ATOM 1041 NE ARG A 66 -9.495 -10.240 3.362 1.00 23.43 N ATOM 1042 CZ ARG A 66 -10.353 -10.963 4.033 1.00 61.54 C ATOM 1043 NH1 ARG A 66 -10.253 -12.253 4.059 1.00 11.45 N ATOM 1044 NH2 ARG A 66 -11.319 -10.389 4.668 1.00 13.34 N ATOM 0 H ARG A 66 -4.126 -12.270 2.460 1.00 32.43 H new ATOM 0 HA ARG A 66 -4.147 -9.661 1.409 1.00 50.31 H new ATOM 0 HB2 ARG A 66 -6.183 -10.460 0.917 1.00 40.05 H new ATOM 0 HB3 ARG A 66 -5.973 -11.793 2.035 1.00 40.05 H new ATOM 0 HG2 ARG A 66 -6.803 -10.289 3.891 1.00 44.41 H new ATOM 0 HG3 ARG A 66 -7.135 -9.059 2.688 1.00 44.41 H new ATOM 0 HD2 ARG A 66 -8.646 -10.656 1.490 1.00 13.12 H new ATOM 0 HD3 ARG A 66 -8.332 -11.863 2.721 1.00 13.12 H new ATOM 0 HE ARG A 66 -9.588 -9.225 3.410 1.00 23.43 H new ATOM 0 HH11 ARG A 66 -9.499 -12.716 3.552 1.00 11.45 H new ATOM 0 HH12 ARG A 66 -10.929 -12.806 4.586 1.00 11.45 H new ATOM 0 HH21 ARG A 66 -11.412 -9.373 4.646 1.00 13.34 H new ATOM 0 HH22 ARG A 66 -11.990 -10.951 5.192 1.00 13.34 H new ATOM 1058 N ILE A 67 -4.580 -9.786 4.677 1.00 51.53 N ATOM 1059 CA ILE A 67 -4.532 -8.966 5.892 1.00 31.11 C ATOM 1060 C ILE A 67 -3.134 -8.347 6.084 1.00 51.22 C ATOM 1061 O ILE A 67 -3.003 -7.182 6.461 1.00 62.13 O ATOM 1062 CB ILE A 67 -4.914 -9.799 7.146 1.00 2.25 C ATOM 1063 CG1 ILE A 67 -6.334 -10.381 6.998 1.00 20.12 C ATOM 1064 CG2 ILE A 67 -4.807 -8.957 8.419 1.00 42.32 C ATOM 1065 CD1 ILE A 67 -7.420 -9.331 6.845 1.00 11.54 C ATOM 0 H ILE A 67 -4.675 -10.787 4.849 1.00 51.53 H new ATOM 0 HA ILE A 67 -5.259 -8.163 5.772 1.00 31.11 H new ATOM 0 HB ILE A 67 -4.209 -10.626 7.229 1.00 2.25 H new ATOM 0 HG12 ILE A 67 -6.356 -11.041 6.131 1.00 20.12 H new ATOM 0 HG13 ILE A 67 -6.557 -10.994 7.871 1.00 20.12 H new ATOM 0 HG21 ILE A 67 -5.080 -9.565 9.281 1.00 42.32 H new ATOM 0 HG22 ILE A 67 -3.783 -8.602 8.535 1.00 42.32 H new ATOM 0 HG23 ILE A 67 -5.481 -8.104 8.349 1.00 42.32 H new ATOM 0 HD11 ILE A 67 -8.389 -9.821 6.746 1.00 11.54 H new ATOM 0 HD12 ILE A 67 -7.428 -8.685 7.723 1.00 11.54 H new ATOM 0 HD13 ILE A 67 -7.224 -8.732 5.956 1.00 11.54 H new ATOM 1077 N ASN A 68 -2.096 -9.136 5.803 1.00 11.54 N ATOM 1078 CA ASN A 68 -0.708 -8.662 5.880 1.00 75.05 C ATOM 1079 C ASN A 68 -0.492 -7.393 5.036 1.00 13.21 C ATOM 1080 O ASN A 68 -0.098 -6.345 5.557 1.00 54.22 O ATOM 1081 CB ASN A 68 0.249 -9.763 5.406 1.00 15.35 C ATOM 1082 CG ASN A 68 1.694 -9.294 5.340 1.00 73.10 C ATOM 1083 OD1 ASN A 68 2.140 -8.482 6.146 1.00 61.30 O ATOM 1084 ND2 ASN A 68 2.431 -9.784 4.363 1.00 21.23 N ATOM 0 H ASN A 68 -2.188 -10.111 5.518 1.00 11.54 H new ATOM 0 HA ASN A 68 -0.501 -8.415 6.921 1.00 75.05 H new ATOM 0 HB2 ASN A 68 0.178 -10.616 6.081 1.00 15.35 H new ATOM 0 HB3 ASN A 68 -0.062 -10.110 4.420 1.00 15.35 H new ATOM 0 HD21 ASN A 68 3.402 -9.490 4.260 1.00 21.23 H new ATOM 0 HD22 ASN A 68 2.030 -10.457 3.710 1.00 21.23 H new ATOM 1091 N VAL A 69 -0.753 -7.498 3.733 1.00 73.53 N ATOM 1092 CA VAL A 69 -0.556 -6.372 2.815 1.00 63.53 C ATOM 1093 C VAL A 69 -1.456 -5.174 3.169 1.00 32.02 C ATOM 1094 O VAL A 69 -1.069 -4.021 2.977 1.00 53.01 O ATOM 1095 CB VAL A 69 -0.785 -6.788 1.340 1.00 24.42 C ATOM 1096 CG1 VAL A 69 0.234 -7.847 0.921 1.00 2.34 C ATOM 1097 CG2 VAL A 69 -2.213 -7.286 1.125 1.00 32.10 C ATOM 0 H VAL A 69 -1.100 -8.348 3.289 1.00 73.53 H new ATOM 0 HA VAL A 69 0.483 -6.062 2.930 1.00 63.53 H new ATOM 0 HB VAL A 69 -0.644 -5.909 0.711 1.00 24.42 H new ATOM 0 HG11 VAL A 69 0.060 -8.129 -0.117 1.00 2.34 H new ATOM 0 HG12 VAL A 69 1.241 -7.443 1.023 1.00 2.34 H new ATOM 0 HG13 VAL A 69 0.129 -8.725 1.558 1.00 2.34 H new ATOM 0 HG21 VAL A 69 -2.346 -7.571 0.081 1.00 32.10 H new ATOM 0 HG22 VAL A 69 -2.397 -8.150 1.763 1.00 32.10 H new ATOM 0 HG23 VAL A 69 -2.917 -6.493 1.377 1.00 32.10 H new ATOM 1107 N LEU A 70 -2.650 -5.450 3.698 1.00 4.11 N ATOM 1108 CA LEU A 70 -3.555 -4.388 4.155 1.00 12.00 C ATOM 1109 C LEU A 70 -3.002 -3.659 5.391 1.00 63.12 C ATOM 1110 O LEU A 70 -3.100 -2.436 5.491 1.00 1.24 O ATOM 1111 CB LEU A 70 -4.949 -4.956 4.461 1.00 24.22 C ATOM 1112 CG LEU A 70 -5.774 -5.373 3.232 1.00 53.12 C ATOM 1113 CD1 LEU A 70 -7.118 -5.961 3.656 1.00 53.04 C ATOM 1114 CD2 LEU A 70 -5.971 -4.185 2.293 1.00 33.33 C ATOM 0 H LEU A 70 -3.013 -6.395 3.821 1.00 4.11 H new ATOM 0 HA LEU A 70 -3.635 -3.663 3.345 1.00 12.00 H new ATOM 0 HB2 LEU A 70 -4.835 -5.823 5.112 1.00 24.22 H new ATOM 0 HB3 LEU A 70 -5.513 -4.209 5.020 1.00 24.22 H new ATOM 0 HG LEU A 70 -5.224 -6.146 2.695 1.00 53.12 H new ATOM 0 HD11 LEU A 70 -7.685 -6.249 2.771 1.00 53.04 H new ATOM 0 HD12 LEU A 70 -6.950 -6.838 4.281 1.00 53.04 H new ATOM 0 HD13 LEU A 70 -7.680 -5.216 4.220 1.00 53.04 H new ATOM 0 HD21 LEU A 70 -6.557 -4.498 1.429 1.00 33.33 H new ATOM 0 HD22 LEU A 70 -6.497 -3.389 2.819 1.00 33.33 H new ATOM 0 HD23 LEU A 70 -5.000 -3.819 1.960 1.00 33.33 H new ATOM 1126 N ASN A 71 -2.431 -4.406 6.333 1.00 14.23 N ATOM 1127 CA ASN A 71 -1.854 -3.806 7.544 1.00 22.40 C ATOM 1128 C ASN A 71 -0.646 -2.918 7.216 1.00 51.11 C ATOM 1129 O ASN A 71 -0.601 -1.751 7.607 1.00 74.51 O ATOM 1130 CB ASN A 71 -1.450 -4.888 8.550 1.00 3.33 C ATOM 1131 CG ASN A 71 -2.648 -5.590 9.162 1.00 55.44 C ATOM 1132 OD1 ASN A 71 -3.728 -5.021 9.286 1.00 61.43 O ATOM 1133 ND2 ASN A 71 -2.463 -6.829 9.558 1.00 12.14 N ATOM 0 H ASN A 71 -2.353 -5.422 6.286 1.00 14.23 H new ATOM 0 HA ASN A 71 -2.625 -3.178 7.990 1.00 22.40 H new ATOM 0 HB2 ASN A 71 -0.817 -5.623 8.053 1.00 3.33 H new ATOM 0 HB3 ASN A 71 -0.853 -4.437 9.343 1.00 3.33 H new ATOM 0 HD21 ASN A 71 -3.231 -7.348 9.984 1.00 12.14 H new ATOM 0 HD22 ASN A 71 -1.552 -7.272 9.440 1.00 12.14 H new ATOM 1140 N GLN A 72 0.326 -3.464 6.483 1.00 54.14 N ATOM 1141 CA GLN A 72 1.519 -2.696 6.106 1.00 20.12 C ATOM 1142 C GLN A 72 1.153 -1.490 5.224 1.00 51.32 C ATOM 1143 O GLN A 72 1.770 -0.428 5.322 1.00 54.10 O ATOM 1144 CB GLN A 72 2.555 -3.594 5.413 1.00 0.23 C ATOM 1145 CG GLN A 72 2.080 -4.237 4.113 1.00 53.25 C ATOM 1146 CD GLN A 72 3.077 -5.242 3.544 1.00 23.33 C ATOM 1147 OE1 GLN A 72 3.811 -5.923 4.408 1.00 62.33 O flip ATOM 1148 NE2 GLN A 72 3.180 -5.416 2.334 1.00 31.11 N flip ATOM 0 H GLN A 72 0.314 -4.425 6.141 1.00 54.14 H new ATOM 0 HA GLN A 72 1.968 -2.310 7.021 1.00 20.12 H new ATOM 0 HB2 GLN A 72 3.446 -3.002 5.204 1.00 0.23 H new ATOM 0 HB3 GLN A 72 2.851 -4.383 6.105 1.00 0.23 H new ATOM 0 HG2 GLN A 72 1.128 -4.738 4.289 1.00 53.25 H new ATOM 0 HG3 GLN A 72 1.898 -3.457 3.374 1.00 53.25 H new ATOM 0 HE21 GLN A 72 2.601 -4.877 1.690 1.00 31.11 H new ATOM 0 HE22 GLN A 72 3.844 -6.100 1.972 1.00 31.11 H new ATOM 1157 N ALA A 73 0.139 -1.649 4.373 1.00 74.14 N ATOM 1158 CA ALA A 73 -0.396 -0.524 3.601 1.00 64.23 C ATOM 1159 C ALA A 73 -0.969 0.556 4.533 1.00 35.13 C ATOM 1160 O ALA A 73 -0.712 1.747 4.352 1.00 74.02 O ATOM 1161 CB ALA A 73 -1.463 -1.001 2.624 1.00 63.45 C ATOM 0 H ALA A 73 -0.327 -2.540 4.200 1.00 74.14 H new ATOM 0 HA ALA A 73 0.424 -0.086 3.032 1.00 64.23 H new ATOM 0 HB1 ALA A 73 -1.847 -0.150 2.061 1.00 63.45 H new ATOM 0 HB2 ALA A 73 -1.028 -1.725 1.935 1.00 63.45 H new ATOM 0 HB3 ALA A 73 -2.278 -1.469 3.176 1.00 63.45 H new ATOM 1167 N THR A 74 -1.735 0.124 5.536 1.00 24.11 N ATOM 1168 CA THR A 74 -2.287 1.038 6.547 1.00 33.54 C ATOM 1169 C THR A 74 -1.169 1.787 7.280 1.00 41.15 C ATOM 1170 O THR A 74 -1.275 2.988 7.535 1.00 53.21 O ATOM 1171 CB THR A 74 -3.157 0.282 7.586 1.00 24.44 C ATOM 1172 OG1 THR A 74 -4.282 -0.319 6.934 1.00 13.22 O ATOM 1173 CG2 THR A 74 -3.653 1.214 8.690 1.00 1.14 C ATOM 0 H THR A 74 -1.990 -0.854 5.673 1.00 24.11 H new ATOM 0 HA THR A 74 -2.915 1.753 6.016 1.00 33.54 H new ATOM 0 HB THR A 74 -2.534 -0.487 8.042 1.00 24.44 H new ATOM 0 HG1 THR A 74 -3.978 -1.069 6.382 1.00 13.22 H new ATOM 0 HG21 THR A 74 -4.259 0.649 9.399 1.00 1.14 H new ATOM 0 HG22 THR A 74 -2.799 1.650 9.209 1.00 1.14 H new ATOM 0 HG23 THR A 74 -4.256 2.009 8.251 1.00 1.14 H new ATOM 1181 N GLU A 75 -0.090 1.076 7.605 1.00 73.32 N ATOM 1182 CA GLU A 75 1.072 1.691 8.251 1.00 12.05 C ATOM 1183 C GLU A 75 1.681 2.794 7.373 1.00 53.31 C ATOM 1184 O GLU A 75 2.003 3.871 7.862 1.00 41.14 O ATOM 1185 CB GLU A 75 2.134 0.635 8.588 1.00 72.35 C ATOM 1186 CG GLU A 75 1.675 -0.397 9.612 1.00 14.43 C ATOM 1187 CD GLU A 75 2.793 -1.333 10.048 1.00 3.13 C ATOM 1188 OE1 GLU A 75 3.001 -2.373 9.390 1.00 43.23 O ATOM 1189 OE2 GLU A 75 3.471 -1.032 11.054 1.00 54.23 O ATOM 0 H GLU A 75 0.005 0.075 7.433 1.00 73.32 H new ATOM 0 HA GLU A 75 0.727 2.147 9.179 1.00 12.05 H new ATOM 0 HB2 GLU A 75 2.424 0.120 7.672 1.00 72.35 H new ATOM 0 HB3 GLU A 75 3.024 1.137 8.967 1.00 72.35 H new ATOM 0 HG2 GLU A 75 1.277 0.118 10.486 1.00 14.43 H new ATOM 0 HG3 GLU A 75 0.860 -0.984 9.189 1.00 14.43 H new ATOM 1196 N VAL A 76 1.823 2.522 6.073 1.00 53.54 N ATOM 1197 CA VAL A 76 2.328 3.524 5.120 1.00 72.23 C ATOM 1198 C VAL A 76 1.386 4.742 5.035 1.00 4.11 C ATOM 1199 O VAL A 76 1.834 5.890 5.039 1.00 35.23 O ATOM 1200 CB VAL A 76 2.515 2.919 3.702 1.00 64.42 C ATOM 1201 CG1 VAL A 76 3.005 3.979 2.712 1.00 15.03 C ATOM 1202 CG2 VAL A 76 3.478 1.733 3.745 1.00 32.13 C ATOM 0 H VAL A 76 1.597 1.620 5.654 1.00 53.54 H new ATOM 0 HA VAL A 76 3.299 3.850 5.494 1.00 72.23 H new ATOM 0 HB VAL A 76 1.545 2.561 3.358 1.00 64.42 H new ATOM 0 HG11 VAL A 76 3.127 3.528 1.727 1.00 15.03 H new ATOM 0 HG12 VAL A 76 2.275 4.787 2.653 1.00 15.03 H new ATOM 0 HG13 VAL A 76 3.961 4.378 3.050 1.00 15.03 H new ATOM 0 HG21 VAL A 76 3.596 1.323 2.742 1.00 32.13 H new ATOM 0 HG22 VAL A 76 4.447 2.065 4.117 1.00 32.13 H new ATOM 0 HG23 VAL A 76 3.079 0.964 4.406 1.00 32.13 H new ATOM 1212 N ILE A 77 0.080 4.477 4.964 1.00 55.45 N ATOM 1213 CA ILE A 77 -0.938 5.539 4.948 1.00 54.13 C ATOM 1214 C ILE A 77 -0.852 6.424 6.208 1.00 1.51 C ATOM 1215 O ILE A 77 -0.760 7.653 6.120 1.00 13.44 O ATOM 1216 CB ILE A 77 -2.366 4.935 4.837 1.00 24.20 C ATOM 1217 CG1 ILE A 77 -2.538 4.200 3.496 1.00 63.40 C ATOM 1218 CG2 ILE A 77 -3.437 6.013 5.005 1.00 14.35 C ATOM 1219 CD1 ILE A 77 -3.893 3.539 3.325 1.00 5.01 C ATOM 0 H ILE A 77 -0.303 3.533 4.916 1.00 55.45 H new ATOM 0 HA ILE A 77 -0.740 6.159 4.074 1.00 54.13 H new ATOM 0 HB ILE A 77 -2.490 4.214 5.645 1.00 24.20 H new ATOM 0 HG12 ILE A 77 -2.386 4.909 2.682 1.00 63.40 H new ATOM 0 HG13 ILE A 77 -1.761 3.441 3.407 1.00 63.40 H new ATOM 0 HG21 ILE A 77 -4.425 5.560 4.922 1.00 14.35 H new ATOM 0 HG22 ILE A 77 -3.333 6.480 5.984 1.00 14.35 H new ATOM 0 HG23 ILE A 77 -3.318 6.768 4.228 1.00 14.35 H new ATOM 0 HD11 ILE A 77 -3.936 3.042 2.356 1.00 5.01 H new ATOM 0 HD12 ILE A 77 -4.042 2.804 4.116 1.00 5.01 H new ATOM 0 HD13 ILE A 77 -4.676 4.295 3.380 1.00 5.01 H new ATOM 1231 N ASN A 78 -0.880 5.789 7.378 1.00 1.03 N ATOM 1232 CA ASN A 78 -0.760 6.502 8.655 1.00 21.14 C ATOM 1233 C ASN A 78 0.616 7.176 8.799 1.00 33.10 C ATOM 1234 O ASN A 78 0.734 8.238 9.412 1.00 52.22 O ATOM 1235 CB ASN A 78 -0.996 5.536 9.823 1.00 22.33 C ATOM 1236 CG ASN A 78 -2.417 4.997 9.856 1.00 33.35 C ATOM 1237 OD1 ASN A 78 -3.366 5.672 9.461 1.00 24.44 O ATOM 1238 ND2 ASN A 78 -2.581 3.779 10.325 1.00 1.12 N ATOM 0 H ASN A 78 -0.985 4.779 7.472 1.00 1.03 H new ATOM 0 HA ASN A 78 -1.520 7.284 8.673 1.00 21.14 H new ATOM 0 HB2 ASN A 78 -0.297 4.703 9.748 1.00 22.33 H new ATOM 0 HB3 ASN A 78 -0.783 6.047 10.762 1.00 22.33 H new ATOM 0 HD21 ASN A 78 -3.515 3.371 10.368 1.00 1.12 H new ATOM 0 HD22 ASN A 78 -1.775 3.243 10.645 1.00 1.12 H new ATOM 1245 N PHE A 79 1.648 6.549 8.231 1.00 24.34 N ATOM 1246 CA PHE A 79 3.008 7.099 8.255 1.00 33.34 C ATOM 1247 C PHE A 79 3.079 8.410 7.459 1.00 32.10 C ATOM 1248 O PHE A 79 3.651 9.393 7.921 1.00 14.15 O ATOM 1249 CB PHE A 79 4.004 6.077 7.687 1.00 51.30 C ATOM 1250 CG PHE A 79 5.453 6.481 7.818 1.00 44.01 C ATOM 1251 CD1 PHE A 79 6.097 6.406 9.047 1.00 70.21 C ATOM 1252 CD2 PHE A 79 6.175 6.923 6.717 1.00 45.44 C ATOM 1253 CE1 PHE A 79 7.426 6.764 9.173 1.00 3.41 C ATOM 1254 CE2 PHE A 79 7.504 7.281 6.840 1.00 25.35 C ATOM 1255 CZ PHE A 79 8.131 7.201 8.069 1.00 61.12 C ATOM 0 H PHE A 79 1.568 5.655 7.746 1.00 24.34 H new ATOM 0 HA PHE A 79 3.274 7.312 9.290 1.00 33.34 H new ATOM 0 HB2 PHE A 79 3.858 5.124 8.195 1.00 51.30 H new ATOM 0 HB3 PHE A 79 3.778 5.915 6.633 1.00 51.30 H new ATOM 0 HD1 PHE A 79 5.552 6.064 9.915 1.00 70.21 H new ATOM 0 HD2 PHE A 79 5.692 6.988 5.753 1.00 45.44 H new ATOM 0 HE1 PHE A 79 7.913 6.702 10.135 1.00 3.41 H new ATOM 0 HE2 PHE A 79 8.053 7.623 5.975 1.00 25.35 H new ATOM 0 HZ PHE A 79 9.170 7.480 8.166 1.00 61.12 H new ATOM 1265 N TRP A 80 2.484 8.416 6.264 1.00 32.04 N ATOM 1266 CA TRP A 80 2.394 9.629 5.440 1.00 42.10 C ATOM 1267 C TRP A 80 1.749 10.780 6.230 1.00 13.33 C ATOM 1268 O TRP A 80 2.253 11.905 6.250 1.00 3.44 O ATOM 1269 CB TRP A 80 1.577 9.335 4.170 1.00 73.11 C ATOM 1270 CG TRP A 80 1.427 10.518 3.255 1.00 51.42 C ATOM 1271 CD1 TRP A 80 2.264 10.880 2.237 1.00 21.12 C ATOM 1272 CD2 TRP A 80 0.375 11.490 3.272 1.00 34.30 C ATOM 1273 NE1 TRP A 80 1.794 12.013 1.621 1.00 73.24 N ATOM 1274 CE2 TRP A 80 0.639 12.408 2.238 1.00 53.15 C ATOM 1275 CE3 TRP A 80 -0.762 11.673 4.060 1.00 20.52 C ATOM 1276 CZ2 TRP A 80 -0.196 13.488 1.974 1.00 0.02 C ATOM 1277 CZ3 TRP A 80 -1.589 12.747 3.797 1.00 21.44 C ATOM 1278 CH2 TRP A 80 -1.303 13.642 2.760 1.00 1.43 C ATOM 0 H TRP A 80 2.055 7.592 5.842 1.00 32.04 H new ATOM 0 HA TRP A 80 3.402 9.933 5.158 1.00 42.10 H new ATOM 0 HB2 TRP A 80 2.055 8.523 3.622 1.00 73.11 H new ATOM 0 HB3 TRP A 80 0.586 8.984 4.460 1.00 73.11 H new ATOM 0 HD1 TRP A 80 3.164 10.352 1.958 1.00 21.12 H new ATOM 0 HE1 TRP A 80 2.235 12.484 0.831 1.00 73.24 H new ATOM 0 HE3 TRP A 80 -0.991 10.987 4.862 1.00 20.52 H new ATOM 0 HZ2 TRP A 80 0.023 14.181 1.175 1.00 0.02 H new ATOM 0 HZ3 TRP A 80 -2.471 12.899 4.402 1.00 21.44 H new ATOM 0 HH2 TRP A 80 -1.971 14.471 2.577 1.00 1.43 H new ATOM 1289 N GLN A 81 0.630 10.480 6.888 1.00 24.43 N ATOM 1290 CA GLN A 81 -0.063 11.458 7.733 1.00 23.42 C ATOM 1291 C GLN A 81 0.803 11.854 8.944 1.00 43.13 C ATOM 1292 O GLN A 81 0.772 12.998 9.404 1.00 5.11 O ATOM 1293 CB GLN A 81 -1.415 10.883 8.191 1.00 53.12 C ATOM 1294 CG GLN A 81 -2.253 11.832 9.044 1.00 22.24 C ATOM 1295 CD GLN A 81 -2.489 13.179 8.375 1.00 71.15 C ATOM 1296 OE1 GLN A 81 -3.437 13.356 7.616 1.00 62.21 O ATOM 1297 NE2 GLN A 81 -1.638 14.144 8.657 1.00 73.22 N ATOM 0 H GLN A 81 0.181 9.565 6.853 1.00 24.43 H new ATOM 0 HA GLN A 81 -0.243 12.360 7.149 1.00 23.42 H new ATOM 0 HB2 GLN A 81 -1.992 10.601 7.310 1.00 53.12 H new ATOM 0 HB3 GLN A 81 -1.233 9.970 8.758 1.00 53.12 H new ATOM 0 HG2 GLN A 81 -3.214 11.366 9.259 1.00 22.24 H new ATOM 0 HG3 GLN A 81 -1.754 11.989 10.000 1.00 22.24 H new ATOM 0 HE21 GLN A 81 -0.859 13.968 9.292 1.00 73.22 H new ATOM 0 HE22 GLN A 81 -1.758 15.067 8.241 1.00 73.22 H new ATOM 1306 N ASP A 82 1.584 10.899 9.441 1.00 64.41 N ATOM 1307 CA ASP A 82 2.511 11.132 10.552 1.00 54.24 C ATOM 1308 C ASP A 82 3.612 12.133 10.133 1.00 53.14 C ATOM 1309 O ASP A 82 4.021 13.000 10.908 1.00 25.32 O ATOM 1310 CB ASP A 82 3.126 9.793 10.980 1.00 42.33 C ATOM 1311 CG ASP A 82 3.628 9.798 12.408 1.00 51.34 C ATOM 1312 OD1 ASP A 82 4.719 10.344 12.662 1.00 43.03 O ATOM 1313 OD2 ASP A 82 2.935 9.239 13.288 1.00 34.13 O ATOM 0 H ASP A 82 1.595 9.942 9.088 1.00 64.41 H new ATOM 0 HA ASP A 82 1.971 11.564 11.395 1.00 54.24 H new ATOM 0 HB2 ASP A 82 2.381 9.005 10.866 1.00 42.33 H new ATOM 0 HB3 ASP A 82 3.952 9.550 10.312 1.00 42.33 H new ATOM 1318 N LEU A 83 4.076 12.005 8.891 1.00 33.24 N ATOM 1319 CA LEU A 83 5.038 12.950 8.314 1.00 55.31 C ATOM 1320 C LEU A 83 4.394 14.333 8.140 1.00 1.34 C ATOM 1321 O LEU A 83 5.016 15.367 8.400 1.00 33.22 O ATOM 1322 CB LEU A 83 5.527 12.440 6.948 1.00 74.00 C ATOM 1323 CG LEU A 83 6.058 10.997 6.927 1.00 42.24 C ATOM 1324 CD1 LEU A 83 6.417 10.574 5.506 1.00 53.32 C ATOM 1325 CD2 LEU A 83 7.257 10.840 7.859 1.00 0.02 C ATOM 0 H LEU A 83 3.801 11.252 8.260 1.00 33.24 H new ATOM 0 HA LEU A 83 5.885 13.034 8.994 1.00 55.31 H new ATOM 0 HB2 LEU A 83 4.704 12.515 6.237 1.00 74.00 H new ATOM 0 HB3 LEU A 83 6.316 13.103 6.594 1.00 74.00 H new ATOM 0 HG LEU A 83 5.265 10.342 7.288 1.00 42.24 H new ATOM 0 HD11 LEU A 83 6.790 9.550 5.515 1.00 53.32 H new ATOM 0 HD12 LEU A 83 5.531 10.632 4.874 1.00 53.32 H new ATOM 0 HD13 LEU A 83 7.187 11.238 5.112 1.00 53.32 H new ATOM 0 HD21 LEU A 83 7.612 9.810 7.825 1.00 0.02 H new ATOM 0 HD22 LEU A 83 8.056 11.510 7.541 1.00 0.02 H new ATOM 0 HD23 LEU A 83 6.960 11.088 8.878 1.00 0.02 H new ATOM 1337 N LYS A 84 3.136 14.327 7.697 1.00 52.33 N ATOM 1338 CA LYS A 84 2.371 15.554 7.450 1.00 54.45 C ATOM 1339 C LYS A 84 2.183 16.395 8.729 1.00 33.52 C ATOM 1340 O LYS A 84 2.422 17.605 8.724 1.00 63.42 O ATOM 1341 CB LYS A 84 0.999 15.191 6.841 1.00 25.14 C ATOM 1342 CG LYS A 84 0.775 15.707 5.418 1.00 50.12 C ATOM 1343 CD LYS A 84 0.600 17.224 5.382 1.00 75.43 C ATOM 1344 CE LYS A 84 0.299 17.728 3.974 1.00 23.31 C ATOM 1345 NZ LYS A 84 -0.008 19.183 3.956 1.00 5.41 N ATOM 0 H LYS A 84 2.617 13.472 7.499 1.00 52.33 H new ATOM 0 HA LYS A 84 2.939 16.165 6.749 1.00 54.45 H new ATOM 0 HB2 LYS A 84 0.892 14.106 6.841 1.00 25.14 H new ATOM 0 HB3 LYS A 84 0.214 15.588 7.485 1.00 25.14 H new ATOM 0 HG2 LYS A 84 1.622 15.424 4.792 1.00 50.12 H new ATOM 0 HG3 LYS A 84 -0.108 15.230 4.994 1.00 50.12 H new ATOM 0 HD2 LYS A 84 -0.210 17.512 6.052 1.00 75.43 H new ATOM 0 HD3 LYS A 84 1.506 17.703 5.753 1.00 75.43 H new ATOM 0 HE2 LYS A 84 1.154 17.530 3.328 1.00 23.31 H new ATOM 0 HE3 LYS A 84 -0.546 17.174 3.564 1.00 23.31 H new ATOM 0 HZ1 LYS A 84 -0.206 19.484 2.980 1.00 5.41 H new ATOM 0 HZ2 LYS A 84 -0.840 19.370 4.552 1.00 5.41 H new ATOM 0 HZ3 LYS A 84 0.807 19.714 4.323 1.00 5.41 H new ATOM 1359 N ASN A 85 1.769 15.757 9.826 1.00 60.11 N ATOM 1360 CA ASN A 85 1.512 16.482 11.079 1.00 24.53 C ATOM 1361 C ASN A 85 2.822 16.926 11.761 1.00 35.31 C ATOM 1362 O ASN A 85 2.848 17.920 12.490 1.00 43.23 O ATOM 1363 CB ASN A 85 0.628 15.650 12.030 1.00 52.00 C ATOM 1364 CG ASN A 85 1.256 14.340 12.476 1.00 25.41 C ATOM 1365 OD1 ASN A 85 2.457 14.241 12.672 1.00 54.11 O ATOM 1366 ND2 ASN A 85 0.442 13.319 12.648 1.00 24.13 N ATOM 0 H ASN A 85 1.605 14.751 9.876 1.00 60.11 H new ATOM 0 HA ASN A 85 0.963 17.389 10.827 1.00 24.53 H new ATOM 0 HB2 ASN A 85 0.398 16.249 12.911 1.00 52.00 H new ATOM 0 HB3 ASN A 85 -0.319 15.436 11.534 1.00 52.00 H new ATOM 0 HD21 ASN A 85 0.811 12.418 12.952 1.00 24.13 H new ATOM 0 HD22 ASN A 85 -0.558 13.429 12.477 1.00 24.13 H new ATOM 1373 N GLN A 86 3.910 16.189 11.526 1.00 60.11 N ATOM 1374 CA GLN A 86 5.243 16.613 11.988 1.00 44.14 C ATOM 1375 C GLN A 86 5.890 17.619 11.020 1.00 44.43 C ATOM 1376 O GLN A 86 6.990 18.111 11.276 1.00 53.42 O ATOM 1377 CB GLN A 86 6.169 15.405 12.171 1.00 75.44 C ATOM 1378 CG GLN A 86 5.798 14.519 13.356 1.00 43.44 C ATOM 1379 CD GLN A 86 6.796 13.396 13.580 1.00 4.45 C ATOM 1380 OE1 GLN A 86 7.778 13.552 14.297 1.00 33.24 O ATOM 1381 NE2 GLN A 86 6.555 12.256 12.975 1.00 24.21 N ATOM 0 H GLN A 86 3.900 15.302 11.023 1.00 60.11 H new ATOM 0 HA GLN A 86 5.103 17.106 12.950 1.00 44.14 H new ATOM 0 HB2 GLN A 86 6.152 14.805 11.261 1.00 75.44 H new ATOM 0 HB3 GLN A 86 7.192 15.759 12.300 1.00 75.44 H new ATOM 0 HG2 GLN A 86 5.736 15.130 14.256 1.00 43.44 H new ATOM 0 HG3 GLN A 86 4.808 14.093 13.191 1.00 43.44 H new ATOM 0 HE21 GLN A 86 5.729 12.157 12.385 1.00 24.21 H new ATOM 0 HE22 GLN A 86 7.193 11.470 13.096 1.00 24.21 H new ATOM 1390 N ASN A 87 5.207 17.905 9.908 1.00 33.42 N ATOM 1391 CA ASN A 87 5.685 18.876 8.913 1.00 72.33 C ATOM 1392 C ASN A 87 7.072 18.476 8.361 1.00 22.43 C ATOM 1393 O ASN A 87 7.852 19.320 7.928 1.00 11.53 O ATOM 1394 CB ASN A 87 5.724 20.282 9.540 1.00 73.41 C ATOM 1395 CG ASN A 87 5.727 21.397 8.509 1.00 31.33 C ATOM 1396 OD1 ASN A 87 6.771 21.861 8.067 1.00 5.11 O ATOM 1397 ND2 ASN A 87 4.552 21.843 8.121 1.00 55.02 N ATOM 0 H ASN A 87 4.313 17.475 9.671 1.00 33.42 H new ATOM 0 HA ASN A 87 4.993 18.883 8.071 1.00 72.33 H new ATOM 0 HB2 ASN A 87 4.862 20.404 10.196 1.00 73.41 H new ATOM 0 HB3 ASN A 87 6.614 20.370 10.164 1.00 73.41 H new ATOM 0 HD21 ASN A 87 4.493 22.595 7.434 1.00 55.02 H new ATOM 0 HD22 ASN A 87 3.700 21.437 8.507 1.00 55.02 H new ATOM 1404 N LYS A 88 7.353 17.170 8.358 1.00 75.20 N ATOM 1405 CA LYS A 88 8.644 16.645 7.883 1.00 72.31 C ATOM 1406 C LYS A 88 8.915 16.997 6.408 1.00 74.32 C ATOM 1407 O LYS A 88 10.047 17.316 6.042 1.00 71.41 O ATOM 1408 CB LYS A 88 8.696 15.122 8.082 1.00 22.04 C ATOM 1409 CG LYS A 88 9.014 14.692 9.514 1.00 5.32 C ATOM 1410 CD LYS A 88 8.894 13.181 9.689 1.00 1.23 C ATOM 1411 CE LYS A 88 9.600 12.686 10.949 1.00 40.20 C ATOM 1412 NZ LYS A 88 11.079 12.787 10.827 1.00 21.13 N ATOM 0 H LYS A 88 6.704 16.452 8.680 1.00 75.20 H new ATOM 0 HA LYS A 88 9.426 17.121 8.475 1.00 72.31 H new ATOM 0 HB2 LYS A 88 7.737 14.695 7.790 1.00 22.04 H new ATOM 0 HB3 LYS A 88 9.448 14.704 7.413 1.00 22.04 H new ATOM 0 HG2 LYS A 88 10.024 15.009 9.774 1.00 5.32 H new ATOM 0 HG3 LYS A 88 8.335 15.193 10.204 1.00 5.32 H new ATOM 0 HD2 LYS A 88 7.840 12.905 9.733 1.00 1.23 H new ATOM 0 HD3 LYS A 88 9.318 12.682 8.818 1.00 1.23 H new ATOM 0 HE2 LYS A 88 9.265 13.269 11.807 1.00 40.20 H new ATOM 0 HE3 LYS A 88 9.321 11.650 11.139 1.00 40.20 H new ATOM 0 HZ1 LYS A 88 11.486 11.834 10.739 1.00 21.13 H new ATOM 0 HZ2 LYS A 88 11.320 13.345 9.984 1.00 21.13 H new ATOM 0 HZ3 LYS A 88 11.466 13.252 11.673 1.00 21.13 H new ATOM 1426 N GLN A 89 7.873 16.911 5.573 1.00 64.21 N ATOM 1427 CA GLN A 89 7.961 17.268 4.140 1.00 70.43 C ATOM 1428 C GLN A 89 9.127 16.534 3.432 1.00 74.31 C ATOM 1429 O GLN A 89 9.752 17.058 2.505 1.00 63.00 O ATOM 1430 CB GLN A 89 8.103 18.797 3.995 1.00 52.33 C ATOM 1431 CG GLN A 89 7.814 19.326 2.588 1.00 35.04 C ATOM 1432 CD GLN A 89 6.391 19.033 2.128 1.00 10.52 C ATOM 1433 OE1 GLN A 89 6.120 18.004 1.520 1.00 4.22 O ATOM 1434 NE2 GLN A 89 5.470 19.930 2.423 1.00 2.53 N ATOM 0 H GLN A 89 6.948 16.595 5.863 1.00 64.21 H new ATOM 0 HA GLN A 89 7.042 16.945 3.651 1.00 70.43 H new ATOM 0 HB2 GLN A 89 7.426 19.281 4.699 1.00 52.33 H new ATOM 0 HB3 GLN A 89 9.116 19.084 4.278 1.00 52.33 H new ATOM 0 HG2 GLN A 89 7.983 20.403 2.568 1.00 35.04 H new ATOM 0 HG3 GLN A 89 8.517 18.879 1.885 1.00 35.04 H new ATOM 0 HE21 GLN A 89 5.727 20.777 2.930 1.00 2.53 H new ATOM 0 HE22 GLN A 89 4.501 19.777 2.144 1.00 2.53 H new ATOM 1443 N ILE A 90 9.394 15.301 3.865 1.00 1.40 N ATOM 1444 CA ILE A 90 10.502 14.505 3.320 1.00 11.30 C ATOM 1445 C ILE A 90 10.174 13.909 1.941 1.00 74.50 C ATOM 1446 O ILE A 90 9.042 13.494 1.676 1.00 32.11 O ATOM 1447 CB ILE A 90 10.878 13.346 4.275 1.00 1.15 C ATOM 1448 CG1 ILE A 90 9.671 12.412 4.478 1.00 12.51 C ATOM 1449 CG2 ILE A 90 11.375 13.900 5.610 1.00 21.12 C ATOM 1450 CD1 ILE A 90 9.981 11.168 5.278 1.00 21.45 C ATOM 0 H ILE A 90 8.858 14.828 4.593 1.00 1.40 H new ATOM 0 HA ILE A 90 11.341 15.193 3.215 1.00 11.30 H new ATOM 0 HB ILE A 90 11.685 12.766 3.828 1.00 1.15 H new ATOM 0 HG12 ILE A 90 8.877 12.965 4.980 1.00 12.51 H new ATOM 0 HG13 ILE A 90 9.286 12.117 3.502 1.00 12.51 H new ATOM 0 HG21 ILE A 90 11.636 13.074 6.272 1.00 21.12 H new ATOM 0 HG22 ILE A 90 12.254 14.522 5.441 1.00 21.12 H new ATOM 0 HG23 ILE A 90 10.590 14.500 6.070 1.00 21.12 H new ATOM 0 HD11 ILE A 90 9.079 10.564 5.376 1.00 21.45 H new ATOM 0 HD12 ILE A 90 10.751 10.590 4.768 1.00 21.45 H new ATOM 0 HD13 ILE A 90 10.337 11.452 6.269 1.00 21.45 H new ATOM 1462 N SER A 91 11.179 13.844 1.073 1.00 34.11 N ATOM 1463 CA SER A 91 11.022 13.244 -0.259 1.00 23.32 C ATOM 1464 C SER A 91 11.137 11.709 -0.194 1.00 63.12 C ATOM 1465 O SER A 91 12.060 11.120 -0.754 1.00 74.30 O ATOM 1466 CB SER A 91 12.072 13.815 -1.228 1.00 73.51 C ATOM 1467 OG SER A 91 12.026 15.235 -1.265 1.00 11.30 O ATOM 0 H SER A 91 12.116 14.199 1.264 1.00 34.11 H new ATOM 0 HA SER A 91 10.027 13.494 -0.626 1.00 23.32 H new ATOM 0 HB2 SER A 91 13.066 13.490 -0.922 1.00 73.51 H new ATOM 0 HB3 SER A 91 11.900 13.418 -2.228 1.00 73.51 H new ATOM 0 HG SER A 91 12.705 15.568 -1.888 1.00 11.30 H new ATOM 1473 N MET A 92 10.210 11.079 0.541 1.00 1.21 N ATOM 1474 CA MET A 92 10.121 9.604 0.635 1.00 14.54 C ATOM 1475 C MET A 92 11.341 8.965 1.350 1.00 53.25 C ATOM 1476 O MET A 92 11.399 7.746 1.525 1.00 3.51 O ATOM 1477 CB MET A 92 9.952 9.004 -0.775 1.00 71.21 C ATOM 1478 CG MET A 92 9.602 7.521 -0.797 1.00 21.52 C ATOM 1479 SD MET A 92 9.410 6.879 -2.473 1.00 0.24 S ATOM 1480 CE MET A 92 11.068 7.081 -3.122 1.00 0.32 C ATOM 0 H MET A 92 9.501 11.569 1.087 1.00 1.21 H new ATOM 0 HA MET A 92 9.249 9.373 1.247 1.00 14.54 H new ATOM 0 HB2 MET A 92 9.171 9.556 -1.299 1.00 71.21 H new ATOM 0 HB3 MET A 92 10.877 9.154 -1.332 1.00 71.21 H new ATOM 0 HG2 MET A 92 10.383 6.959 -0.284 1.00 21.52 H new ATOM 0 HG3 MET A 92 8.677 7.361 -0.242 1.00 21.52 H new ATOM 0 HE1 MET A 92 11.186 6.468 -4.016 1.00 0.32 H new ATOM 0 HE2 MET A 92 11.234 8.128 -3.376 1.00 0.32 H new ATOM 0 HE3 MET A 92 11.793 6.770 -2.370 1.00 0.32 H new ATOM 1490 N ALA A 93 12.291 9.793 1.792 1.00 11.04 N ATOM 1491 CA ALA A 93 13.554 9.300 2.370 1.00 60.30 C ATOM 1492 C ALA A 93 13.346 8.350 3.567 1.00 73.15 C ATOM 1493 O ALA A 93 13.754 7.190 3.523 1.00 74.33 O ATOM 1494 CB ALA A 93 14.430 10.480 2.783 1.00 63.12 C ATOM 0 H ALA A 93 12.214 10.810 1.763 1.00 11.04 H new ATOM 0 HA ALA A 93 14.050 8.717 1.594 1.00 60.30 H new ATOM 0 HB1 ALA A 93 15.362 10.109 3.210 1.00 63.12 H new ATOM 0 HB2 ALA A 93 14.649 11.094 1.909 1.00 63.12 H new ATOM 0 HB3 ALA A 93 13.905 11.081 3.526 1.00 63.12 H new ATOM 1500 N GLU A 94 12.695 8.831 4.625 1.00 73.02 N ATOM 1501 CA GLU A 94 12.451 8.006 5.821 1.00 63.21 C ATOM 1502 C GLU A 94 11.512 6.831 5.515 1.00 4.51 C ATOM 1503 O GLU A 94 11.618 5.764 6.119 1.00 42.32 O ATOM 1504 CB GLU A 94 11.875 8.862 6.958 1.00 43.35 C ATOM 1505 CG GLU A 94 12.802 9.992 7.399 1.00 34.52 C ATOM 1506 CD GLU A 94 12.205 10.859 8.497 1.00 70.33 C ATOM 1507 OE1 GLU A 94 12.381 10.534 9.689 1.00 74.31 O ATOM 1508 OE2 GLU A 94 11.579 11.888 8.179 1.00 2.10 O ATOM 0 H GLU A 94 12.327 9.780 4.685 1.00 73.02 H new ATOM 0 HA GLU A 94 13.410 7.595 6.137 1.00 63.21 H new ATOM 0 HB2 GLU A 94 10.924 9.287 6.636 1.00 43.35 H new ATOM 0 HB3 GLU A 94 11.664 8.221 7.814 1.00 43.35 H new ATOM 0 HG2 GLU A 94 13.742 9.567 7.751 1.00 34.52 H new ATOM 0 HG3 GLU A 94 13.038 10.618 6.538 1.00 34.52 H new ATOM 1515 N ALA A 95 10.594 7.035 4.570 1.00 64.30 N ATOM 1516 CA ALA A 95 9.645 5.991 4.167 1.00 21.12 C ATOM 1517 C ALA A 95 10.367 4.701 3.742 1.00 25.02 C ATOM 1518 O ALA A 95 10.052 3.615 4.227 1.00 61.43 O ATOM 1519 CB ALA A 95 8.752 6.500 3.039 1.00 42.15 C ATOM 0 H ALA A 95 10.486 7.916 4.067 1.00 64.30 H new ATOM 0 HA ALA A 95 9.026 5.750 5.031 1.00 21.12 H new ATOM 0 HB1 ALA A 95 8.052 5.717 2.748 1.00 42.15 H new ATOM 0 HB2 ALA A 95 8.198 7.374 3.380 1.00 42.15 H new ATOM 0 HB3 ALA A 95 9.368 6.773 2.182 1.00 42.15 H new ATOM 1525 N GLN A 96 11.355 4.833 2.852 1.00 64.35 N ATOM 1526 CA GLN A 96 12.153 3.684 2.396 1.00 12.01 C ATOM 1527 C GLN A 96 13.021 3.100 3.525 1.00 11.31 C ATOM 1528 O GLN A 96 13.406 1.929 3.484 1.00 42.14 O ATOM 1529 CB GLN A 96 13.045 4.091 1.208 1.00 54.03 C ATOM 1530 CG GLN A 96 12.291 4.313 -0.106 1.00 4.42 C ATOM 1531 CD GLN A 96 12.023 3.032 -0.901 1.00 45.20 C ATOM 1532 OE1 GLN A 96 11.855 1.905 -0.231 1.00 4.23 O flip ATOM 1533 NE2 GLN A 96 11.962 3.057 -2.127 1.00 31.32 N flip ATOM 0 H GLN A 96 11.624 5.723 2.431 1.00 64.35 H new ATOM 0 HA GLN A 96 11.454 2.910 2.079 1.00 12.01 H new ATOM 0 HB2 GLN A 96 13.577 5.007 1.466 1.00 54.03 H new ATOM 0 HB3 GLN A 96 13.798 3.318 1.054 1.00 54.03 H new ATOM 0 HG2 GLN A 96 11.339 4.798 0.112 1.00 4.42 H new ATOM 0 HG3 GLN A 96 12.864 5.000 -0.729 1.00 4.42 H new ATOM 0 HE21 GLN A 96 12.094 3.936 -2.626 1.00 31.32 H new ATOM 0 HE22 GLN A 96 11.779 2.198 -2.646 1.00 31.32 H new ATOM 1542 N GLY A 97 13.337 3.923 4.520 1.00 33.25 N ATOM 1543 CA GLY A 97 14.136 3.464 5.653 1.00 62.12 C ATOM 1544 C GLY A 97 13.330 2.654 6.665 1.00 1.51 C ATOM 1545 O GLY A 97 13.822 1.670 7.224 1.00 35.13 O ATOM 0 H GLY A 97 13.056 4.902 4.566 1.00 33.25 H new ATOM 0 HA2 GLY A 97 14.962 2.855 5.285 1.00 62.12 H new ATOM 0 HA3 GLY A 97 14.575 4.327 6.154 1.00 62.12 H new ATOM 1549 N LYS A 98 12.086 3.069 6.904 1.00 63.12 N ATOM 1550 CA LYS A 98 11.204 2.377 7.851 1.00 62.14 C ATOM 1551 C LYS A 98 10.520 1.169 7.187 1.00 13.31 C ATOM 1552 O LYS A 98 10.281 0.149 7.838 1.00 52.30 O ATOM 1553 CB LYS A 98 10.160 3.365 8.415 1.00 23.11 C ATOM 1554 CG LYS A 98 9.356 2.849 9.618 1.00 1.30 C ATOM 1555 CD LYS A 98 8.181 1.959 9.205 1.00 63.31 C ATOM 1556 CE LYS A 98 7.416 1.418 10.408 1.00 73.25 C ATOM 1557 NZ LYS A 98 8.231 0.472 11.214 1.00 55.22 N ATOM 0 H LYS A 98 11.664 3.882 6.455 1.00 63.12 H new ATOM 0 HA LYS A 98 11.807 1.998 8.676 1.00 62.14 H new ATOM 0 HB2 LYS A 98 10.671 4.282 8.706 1.00 23.11 H new ATOM 0 HB3 LYS A 98 9.464 3.627 7.618 1.00 23.11 H new ATOM 0 HG2 LYS A 98 10.017 2.288 10.278 1.00 1.30 H new ATOM 0 HG3 LYS A 98 8.980 3.698 10.190 1.00 1.30 H new ATOM 0 HD2 LYS A 98 7.502 2.529 8.571 1.00 63.31 H new ATOM 0 HD3 LYS A 98 8.551 1.126 8.608 1.00 63.31 H new ATOM 0 HE2 LYS A 98 7.099 2.249 11.038 1.00 73.25 H new ATOM 0 HE3 LYS A 98 6.512 0.915 10.065 1.00 73.25 H new ATOM 0 HZ1 LYS A 98 7.632 0.028 11.939 1.00 55.22 H new ATOM 0 HZ2 LYS A 98 8.625 -0.263 10.593 1.00 55.22 H new ATOM 0 HZ3 LYS A 98 9.007 0.988 11.675 1.00 55.22 H new ATOM 1571 N PHE A 99 10.206 1.281 5.894 1.00 31.34 N ATOM 1572 CA PHE A 99 9.548 0.189 5.158 1.00 62.24 C ATOM 1573 C PHE A 99 10.474 -0.418 4.082 1.00 13.25 C ATOM 1574 O PHE A 99 10.309 -0.148 2.889 1.00 63.40 O ATOM 1575 CB PHE A 99 8.259 0.691 4.486 1.00 64.42 C ATOM 1576 CG PHE A 99 7.228 1.255 5.432 1.00 3.04 C ATOM 1577 CD1 PHE A 99 6.386 0.415 6.148 1.00 22.13 C ATOM 1578 CD2 PHE A 99 7.093 2.627 5.595 1.00 62.53 C ATOM 1579 CE1 PHE A 99 5.434 0.932 7.008 1.00 45.54 C ATOM 1580 CE2 PHE A 99 6.143 3.148 6.451 1.00 14.53 C ATOM 1581 CZ PHE A 99 5.313 2.301 7.159 1.00 40.44 C ATOM 0 H PHE A 99 10.394 2.112 5.333 1.00 31.34 H new ATOM 0 HA PHE A 99 9.308 -0.586 5.886 1.00 62.24 H new ATOM 0 HB2 PHE A 99 8.521 1.459 3.758 1.00 64.42 H new ATOM 0 HB3 PHE A 99 7.810 -0.134 3.932 1.00 64.42 H new ATOM 0 HD1 PHE A 99 6.475 -0.655 6.032 1.00 22.13 H new ATOM 0 HD2 PHE A 99 7.739 3.295 5.045 1.00 62.53 H new ATOM 0 HE1 PHE A 99 4.786 0.267 7.561 1.00 45.54 H new ATOM 0 HE2 PHE A 99 6.049 4.218 6.567 1.00 14.53 H new ATOM 0 HZ PHE A 99 4.570 2.708 7.830 1.00 40.44 H new ATOM 1591 N PRO A 100 11.452 -1.263 4.473 1.00 14.43 N ATOM 1592 CA PRO A 100 12.388 -1.877 3.512 1.00 51.41 C ATOM 1593 C PRO A 100 11.699 -2.916 2.614 1.00 54.53 C ATOM 1594 O PRO A 100 12.100 -3.134 1.469 1.00 42.02 O ATOM 1595 CB PRO A 100 13.434 -2.546 4.418 1.00 55.01 C ATOM 1596 CG PRO A 100 12.701 -2.833 5.686 1.00 40.12 C ATOM 1597 CD PRO A 100 11.722 -1.699 5.860 1.00 45.41 C ATOM 0 HA PRO A 100 12.811 -1.146 2.822 1.00 51.41 H new ATOM 0 HB2 PRO A 100 13.822 -3.460 3.968 1.00 55.01 H new ATOM 0 HB3 PRO A 100 14.286 -1.889 4.592 1.00 55.01 H new ATOM 0 HG2 PRO A 100 12.184 -3.791 5.631 1.00 40.12 H new ATOM 0 HG3 PRO A 100 13.388 -2.890 6.531 1.00 40.12 H new ATOM 0 HD2 PRO A 100 10.812 -2.027 6.362 1.00 45.41 H new ATOM 0 HD3 PRO A 100 12.144 -0.892 6.460 1.00 45.41 H new ATOM 1605 N GLU A 101 10.645 -3.535 3.145 1.00 23.40 N ATOM 1606 CA GLU A 101 9.901 -4.578 2.433 1.00 15.42 C ATOM 1607 C GLU A 101 8.839 -3.987 1.491 1.00 51.41 C ATOM 1608 O GLU A 101 8.188 -4.717 0.741 1.00 1.32 O ATOM 1609 CB GLU A 101 9.234 -5.519 3.449 1.00 12.31 C ATOM 1610 CG GLU A 101 10.211 -6.136 4.446 1.00 25.10 C ATOM 1611 CD GLU A 101 9.527 -7.041 5.456 1.00 43.12 C ATOM 1612 OE1 GLU A 101 9.089 -6.538 6.516 1.00 21.14 O ATOM 1613 OE2 GLU A 101 9.415 -8.257 5.196 1.00 53.52 O ATOM 0 H GLU A 101 10.283 -3.330 4.076 1.00 23.40 H new ATOM 0 HA GLU A 101 10.610 -5.134 1.819 1.00 15.42 H new ATOM 0 HB2 GLU A 101 8.471 -4.966 3.996 1.00 12.31 H new ATOM 0 HB3 GLU A 101 8.724 -6.318 2.911 1.00 12.31 H new ATOM 0 HG2 GLU A 101 10.964 -6.708 3.904 1.00 25.10 H new ATOM 0 HG3 GLU A 101 10.735 -5.340 4.975 1.00 25.10 H new ATOM 1620 N VAL A 102 8.661 -2.666 1.531 1.00 32.15 N ATOM 1621 CA VAL A 102 7.673 -1.994 0.680 1.00 45.13 C ATOM 1622 C VAL A 102 8.353 -1.272 -0.495 1.00 21.24 C ATOM 1623 O VAL A 102 9.292 -0.495 -0.306 1.00 45.32 O ATOM 1624 CB VAL A 102 6.821 -0.983 1.492 1.00 63.10 C ATOM 1625 CG1 VAL A 102 5.812 -0.271 0.593 1.00 33.43 C ATOM 1626 CG2 VAL A 102 6.111 -1.683 2.655 1.00 3.21 C ATOM 0 H VAL A 102 9.186 -2.040 2.141 1.00 32.15 H new ATOM 0 HA VAL A 102 7.013 -2.766 0.285 1.00 45.13 H new ATOM 0 HB VAL A 102 7.494 -0.231 1.905 1.00 63.10 H new ATOM 0 HG11 VAL A 102 5.228 0.432 1.187 1.00 33.43 H new ATOM 0 HG12 VAL A 102 6.342 0.269 -0.192 1.00 33.43 H new ATOM 0 HG13 VAL A 102 5.145 -1.006 0.141 1.00 33.43 H new ATOM 0 HG21 VAL A 102 5.519 -0.956 3.211 1.00 3.21 H new ATOM 0 HG22 VAL A 102 5.456 -2.462 2.265 1.00 3.21 H new ATOM 0 HG23 VAL A 102 6.852 -2.130 3.318 1.00 3.21 H new ATOM 1636 N VAL A 103 7.875 -1.530 -1.709 1.00 2.35 N ATOM 1637 CA VAL A 103 8.478 -0.945 -2.906 1.00 10.31 C ATOM 1638 C VAL A 103 7.866 0.428 -3.224 1.00 63.22 C ATOM 1639 O VAL A 103 6.762 0.525 -3.759 1.00 2.14 O ATOM 1640 CB VAL A 103 8.312 -1.879 -4.131 1.00 32.52 C ATOM 1641 CG1 VAL A 103 8.982 -1.280 -5.367 1.00 0.41 C ATOM 1642 CG2 VAL A 103 8.872 -3.270 -3.826 1.00 32.41 C ATOM 0 H VAL A 103 7.076 -2.137 -1.891 1.00 2.35 H new ATOM 0 HA VAL A 103 9.541 -0.819 -2.699 1.00 10.31 H new ATOM 0 HB VAL A 103 7.247 -1.979 -4.343 1.00 32.52 H new ATOM 0 HG11 VAL A 103 8.852 -1.954 -6.214 1.00 0.41 H new ATOM 0 HG12 VAL A 103 8.527 -0.317 -5.597 1.00 0.41 H new ATOM 0 HG13 VAL A 103 10.046 -1.142 -5.173 1.00 0.41 H new ATOM 0 HG21 VAL A 103 8.747 -3.912 -4.698 1.00 32.41 H new ATOM 0 HG22 VAL A 103 9.932 -3.190 -3.583 1.00 32.41 H new ATOM 0 HG23 VAL A 103 8.337 -3.700 -2.979 1.00 32.41 H new ATOM 1652 N PHE A 104 8.589 1.489 -2.889 1.00 45.52 N ATOM 1653 CA PHE A 104 8.148 2.849 -3.203 1.00 24.53 C ATOM 1654 C PHE A 104 8.591 3.253 -4.617 1.00 21.12 C ATOM 1655 O PHE A 104 9.701 2.936 -5.045 1.00 2.22 O ATOM 1656 CB PHE A 104 8.688 3.846 -2.171 1.00 50.12 C ATOM 1657 CG PHE A 104 8.122 3.658 -0.785 1.00 50.22 C ATOM 1658 CD1 PHE A 104 8.677 2.737 0.091 1.00 63.32 C ATOM 1659 CD2 PHE A 104 7.033 4.409 -0.358 1.00 72.02 C ATOM 1660 CE1 PHE A 104 8.162 2.567 1.361 1.00 21.33 C ATOM 1661 CE2 PHE A 104 6.515 4.241 0.913 1.00 60.01 C ATOM 1662 CZ PHE A 104 7.080 3.320 1.772 1.00 3.04 C ATOM 0 H PHE A 104 9.483 1.438 -2.400 1.00 45.52 H new ATOM 0 HA PHE A 104 7.059 2.867 -3.165 1.00 24.53 H new ATOM 0 HB2 PHE A 104 9.773 3.754 -2.125 1.00 50.12 H new ATOM 0 HB3 PHE A 104 8.467 4.859 -2.509 1.00 50.12 H new ATOM 0 HD1 PHE A 104 9.523 2.145 -0.224 1.00 63.32 H new ATOM 0 HD2 PHE A 104 6.587 5.131 -1.026 1.00 72.02 H new ATOM 0 HE1 PHE A 104 8.605 1.846 2.032 1.00 21.33 H new ATOM 0 HE2 PHE A 104 5.669 4.830 1.234 1.00 60.01 H new ATOM 0 HZ PHE A 104 6.676 3.188 2.765 1.00 3.04 H new ATOM 1672 N SER A 105 7.721 3.950 -5.339 1.00 34.53 N ATOM 1673 CA SER A 105 8.011 4.359 -6.718 1.00 42.15 C ATOM 1674 C SER A 105 7.964 5.884 -6.866 1.00 50.12 C ATOM 1675 O SER A 105 6.903 6.500 -6.747 1.00 71.20 O ATOM 1676 CB SER A 105 7.010 3.708 -7.688 1.00 44.43 C ATOM 1677 OG SER A 105 7.056 2.287 -7.603 1.00 15.12 O ATOM 0 H SER A 105 6.807 4.246 -4.997 1.00 34.53 H new ATOM 0 HA SER A 105 9.019 4.023 -6.962 1.00 42.15 H new ATOM 0 HB2 SER A 105 6.002 4.056 -7.461 1.00 44.43 H new ATOM 0 HB3 SER A 105 7.233 4.021 -8.708 1.00 44.43 H new ATOM 0 HG SER A 105 6.408 1.901 -8.229 1.00 15.12 H new