USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 632 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 38 LYS NZ :NH3+ 158:sc= 2.36 (180deg=0.933) USER MOD Set 1.2: A 77 THR OG1 : rot 73:sc= 2.19 USER MOD Set 2.1: A 51 GLN : amide:sc= -0.402 K(o=-1.2,f=-2!) USER MOD Set 2.2: A 52 ASN : amide:sc= -0.83 X(o=-1.2,f=-1.3!) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0703 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 10 LYS NZ :NH3+ -149:sc= 1.23 (180deg=1) USER MOD Single : A 16 SER OG : rot -83:sc= 1.22 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 23 LYS NZ :NH3+ -114:sc= -1.55! (180deg=-4.96!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.98 K(o=0.98,f=-5!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -167:sc= -0.0539 (180deg=-0.332) USER MOD Single : A 46 THR OG1 : rot -82:sc= 1.23 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.52 K(o=-1.5,f=-10!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.479 USER MOD Single : A 72 ASN : amide:sc= -3.55! C(o=-3.6!,f=-4.8!) USER MOD Single : A 75 LYS NZ :NH3+ -110:sc= -2.68! (180deg=-3.93!) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot -40:sc= 0.654 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 86 LYS NZ :NH3+ -173:sc= -0.001 (180deg=-0.0502) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N ASP A 6 13.370 13.819 -3.145 1.00 0.94 N ATOM 63 CA ASP A 6 12.359 12.781 -3.247 1.00 0.82 C ATOM 64 C ASP A 6 10.973 13.401 -3.198 1.00 0.72 C ATOM 65 O ASP A 6 10.240 13.248 -2.220 1.00 0.76 O ATOM 66 CB ASP A 6 12.529 11.734 -2.138 1.00 0.88 C ATOM 67 CG ASP A 6 13.797 10.924 -2.310 1.00 1.03 C ATOM 68 OD1 ASP A 6 14.746 11.121 -1.516 1.00 1.40 O ATOM 69 OD2 ASP A 6 13.850 10.085 -3.232 1.00 1.79 O ATOM 0 HA ASP A 6 12.481 12.271 -4.203 1.00 0.82 H new ATOM 0 HB2 ASP A 6 12.546 12.232 -1.169 1.00 0.88 H new ATOM 0 HB3 ASP A 6 11.669 11.065 -2.137 1.00 0.88 H new ATOM 74 N SER A 7 10.638 14.134 -4.253 1.00 0.68 N ATOM 75 CA SER A 7 9.319 14.732 -4.397 1.00 0.67 C ATOM 76 C SER A 7 8.257 13.645 -4.302 1.00 0.53 C ATOM 77 O SER A 7 8.364 12.607 -4.948 1.00 0.46 O ATOM 78 CB SER A 7 9.236 15.427 -5.752 1.00 0.77 C ATOM 79 OG SER A 7 10.472 16.036 -6.074 1.00 1.33 O ATOM 0 H SER A 7 11.271 14.329 -5.029 1.00 0.68 H new ATOM 0 HA SER A 7 9.151 15.461 -3.605 1.00 0.67 H new ATOM 0 HB2 SER A 7 8.969 14.704 -6.522 1.00 0.77 H new ATOM 0 HB3 SER A 7 8.447 16.179 -5.734 1.00 0.77 H new ATOM 0 HG SER A 7 10.402 16.476 -6.947 1.00 1.33 H new ATOM 85 N GLN A 8 7.237 13.895 -3.485 1.00 0.53 N ATOM 86 CA GLN A 8 6.209 12.900 -3.186 1.00 0.47 C ATOM 87 C GLN A 8 5.492 12.414 -4.443 1.00 0.48 C ATOM 88 O GLN A 8 5.082 11.258 -4.511 1.00 0.50 O ATOM 89 CB GLN A 8 5.197 13.463 -2.189 1.00 0.53 C ATOM 90 CG GLN A 8 5.814 13.848 -0.854 1.00 0.86 C ATOM 91 CD GLN A 8 4.804 14.423 0.116 1.00 1.25 C ATOM 92 OE1 GLN A 8 3.819 15.041 -0.284 1.00 1.88 O ATOM 93 NE2 GLN A 8 5.042 14.227 1.402 1.00 1.57 N ATOM 0 H GLN A 8 7.099 14.789 -3.013 1.00 0.53 H new ATOM 0 HA GLN A 8 6.713 12.040 -2.744 1.00 0.47 H new ATOM 0 HB2 GLN A 8 4.717 14.339 -2.625 1.00 0.53 H new ATOM 0 HB3 GLN A 8 4.415 12.723 -2.019 1.00 0.53 H new ATOM 0 HG2 GLN A 8 6.280 12.970 -0.408 1.00 0.86 H new ATOM 0 HG3 GLN A 8 6.606 14.578 -1.022 1.00 0.86 H new ATOM 0 HE21 GLN A 8 5.871 13.709 1.694 1.00 1.57 H new ATOM 0 HE22 GLN A 8 4.397 14.594 2.102 1.00 1.57 H new ATOM 102 N GLU A 9 5.331 13.295 -5.424 1.00 0.54 N ATOM 103 CA GLU A 9 4.757 12.904 -6.708 1.00 0.59 C ATOM 104 C GLU A 9 5.699 11.956 -7.446 1.00 0.51 C ATOM 105 O GLU A 9 5.268 10.978 -8.056 1.00 0.50 O ATOM 106 CB GLU A 9 4.474 14.132 -7.576 1.00 0.73 C ATOM 107 CG GLU A 9 3.425 15.066 -7.000 1.00 1.34 C ATOM 108 CD GLU A 9 3.103 16.210 -7.937 1.00 1.57 C ATOM 109 OE1 GLU A 9 2.124 16.099 -8.705 1.00 1.45 O ATOM 110 OE2 GLU A 9 3.825 17.229 -7.909 1.00 2.17 O ATOM 0 H GLU A 9 5.588 14.280 -5.357 1.00 0.54 H new ATOM 0 HA GLU A 9 3.815 12.391 -6.513 1.00 0.59 H new ATOM 0 HB2 GLU A 9 5.402 14.687 -7.717 1.00 0.73 H new ATOM 0 HB3 GLU A 9 4.148 13.800 -8.562 1.00 0.73 H new ATOM 0 HG2 GLU A 9 2.515 14.503 -6.790 1.00 1.34 H new ATOM 0 HG3 GLU A 9 3.779 15.465 -6.050 1.00 1.34 H new ATOM 117 N LYS A 10 6.989 12.251 -7.370 1.00 0.50 N ATOM 118 CA LYS A 10 8.009 11.422 -7.994 1.00 0.48 C ATOM 119 C LYS A 10 8.136 10.094 -7.254 1.00 0.38 C ATOM 120 O LYS A 10 8.243 9.038 -7.874 1.00 0.38 O ATOM 121 CB LYS A 10 9.349 12.164 -8.007 1.00 0.58 C ATOM 122 CG LYS A 10 10.477 11.401 -8.681 1.00 0.75 C ATOM 123 CD LYS A 10 11.767 12.206 -8.674 1.00 1.63 C ATOM 124 CE LYS A 10 12.917 11.441 -9.309 1.00 2.14 C ATOM 125 NZ LYS A 10 13.233 10.188 -8.573 1.00 2.55 N ATOM 0 H LYS A 10 7.356 13.066 -6.878 1.00 0.50 H new ATOM 0 HA LYS A 10 7.717 11.213 -9.023 1.00 0.48 H new ATOM 0 HB2 LYS A 10 9.218 13.119 -8.515 1.00 0.58 H new ATOM 0 HB3 LYS A 10 9.639 12.386 -6.980 1.00 0.58 H new ATOM 0 HG2 LYS A 10 10.635 10.452 -8.168 1.00 0.75 H new ATOM 0 HG3 LYS A 10 10.198 11.166 -9.708 1.00 0.75 H new ATOM 0 HD2 LYS A 10 11.614 13.142 -9.211 1.00 1.63 H new ATOM 0 HD3 LYS A 10 12.027 12.466 -7.648 1.00 1.63 H new ATOM 0 HE2 LYS A 10 12.664 11.200 -10.342 1.00 2.14 H new ATOM 0 HE3 LYS A 10 13.802 12.077 -9.337 1.00 2.14 H new ATOM 0 HZ1 LYS A 10 14.248 9.980 -8.661 1.00 2.55 H new ATOM 0 HZ2 LYS A 10 12.989 10.304 -7.569 1.00 2.55 H new ATOM 0 HZ3 LYS A 10 12.683 9.402 -8.974 1.00 2.55 H new ATOM 139 N VAL A 11 8.110 10.159 -5.926 1.00 0.34 N ATOM 140 CA VAL A 11 8.165 8.964 -5.089 1.00 0.30 C ATOM 141 C VAL A 11 6.997 8.039 -5.399 1.00 0.27 C ATOM 142 O VAL A 11 7.168 6.828 -5.505 1.00 0.31 O ATOM 143 CB VAL A 11 8.155 9.323 -3.587 1.00 0.31 C ATOM 144 CG1 VAL A 11 8.099 8.071 -2.729 1.00 0.39 C ATOM 145 CG2 VAL A 11 9.380 10.144 -3.229 1.00 0.37 C ATOM 0 H VAL A 11 8.051 11.033 -5.403 1.00 0.34 H new ATOM 0 HA VAL A 11 9.101 8.453 -5.315 1.00 0.30 H new ATOM 0 HB VAL A 11 7.262 9.916 -3.390 1.00 0.31 H new ATOM 0 HG11 VAL A 11 8.093 8.352 -1.676 1.00 0.39 H new ATOM 0 HG12 VAL A 11 7.193 7.511 -2.961 1.00 0.39 H new ATOM 0 HG13 VAL A 11 8.971 7.450 -2.934 1.00 0.39 H new ATOM 0 HG21 VAL A 11 9.357 10.388 -2.167 1.00 0.37 H new ATOM 0 HG22 VAL A 11 10.280 9.570 -3.450 1.00 0.37 H new ATOM 0 HG23 VAL A 11 9.384 11.064 -3.813 1.00 0.37 H new ATOM 149 N ALA A 12 5.813 8.621 -5.562 1.00 0.26 N ATOM 150 CA ALA A 12 4.626 7.856 -5.925 1.00 0.27 C ATOM 151 C ALA A 12 4.868 7.068 -7.209 1.00 0.26 C ATOM 152 O ALA A 12 4.477 5.904 -7.324 1.00 0.31 O ATOM 153 CB ALA A 12 3.433 8.782 -6.091 1.00 0.35 C ATOM 0 H ALA A 12 5.650 9.621 -5.448 1.00 0.26 H new ATOM 0 HA ALA A 12 4.412 7.150 -5.123 1.00 0.27 H new ATOM 0 HB1 ALA A 12 2.554 8.198 -6.362 1.00 0.35 H new ATOM 0 HB2 ALA A 12 3.246 9.306 -5.154 1.00 0.35 H new ATOM 0 HB3 ALA A 12 3.642 9.508 -6.877 1.00 0.35 H new ATOM 159 N ASP A 13 5.529 7.711 -8.167 1.00 0.26 N ATOM 160 CA ASP A 13 5.902 7.055 -9.414 1.00 0.32 C ATOM 161 C ASP A 13 6.946 5.978 -9.156 1.00 0.30 C ATOM 162 O ASP A 13 6.861 4.879 -9.703 1.00 0.42 O ATOM 163 CB ASP A 13 6.448 8.069 -10.421 1.00 0.39 C ATOM 164 CG ASP A 13 6.970 7.406 -11.683 1.00 0.59 C ATOM 165 OD1 ASP A 13 6.146 6.983 -12.521 1.00 0.86 O ATOM 166 OD2 ASP A 13 8.207 7.304 -11.838 1.00 0.67 O ATOM 0 H ASP A 13 5.817 8.687 -8.102 1.00 0.26 H new ATOM 0 HA ASP A 13 5.007 6.594 -9.831 1.00 0.32 H new ATOM 0 HB2 ASP A 13 5.661 8.776 -10.684 1.00 0.39 H new ATOM 0 HB3 ASP A 13 7.250 8.643 -9.957 1.00 0.39 H new ATOM 171 N GLU A 14 7.916 6.295 -8.300 1.00 0.25 N ATOM 172 CA GLU A 14 8.979 5.356 -7.963 1.00 0.35 C ATOM 173 C GLU A 14 8.399 4.059 -7.414 1.00 0.28 C ATOM 174 O GLU A 14 8.739 2.976 -7.886 1.00 0.32 O ATOM 175 CB GLU A 14 9.943 5.951 -6.929 1.00 0.53 C ATOM 176 CG GLU A 14 10.648 7.223 -7.376 1.00 1.18 C ATOM 177 CD GLU A 14 11.437 7.055 -8.657 1.00 1.35 C ATOM 178 OE1 GLU A 14 11.766 8.070 -9.303 1.00 1.53 O ATOM 179 OE2 GLU A 14 11.728 5.898 -9.027 1.00 2.05 O ATOM 0 H GLU A 14 7.986 7.196 -7.828 1.00 0.25 H new ATOM 0 HA GLU A 14 9.529 5.150 -8.881 1.00 0.35 H new ATOM 0 HB2 GLU A 14 9.389 6.161 -6.014 1.00 0.53 H new ATOM 0 HB3 GLU A 14 10.696 5.203 -6.681 1.00 0.53 H new ATOM 0 HG2 GLU A 14 9.907 8.010 -7.515 1.00 1.18 H new ATOM 0 HG3 GLU A 14 11.320 7.554 -6.585 1.00 1.18 H new ATOM 186 N ILE A 15 7.516 4.168 -6.426 1.00 0.22 N ATOM 187 CA ILE A 15 6.941 2.980 -5.807 1.00 0.19 C ATOM 188 C ILE A 15 6.125 2.197 -6.824 1.00 0.17 C ATOM 189 O ILE A 15 6.347 1.011 -7.025 1.00 0.22 O ATOM 190 CB ILE A 15 6.007 3.293 -4.614 1.00 0.21 C ATOM 191 CG1 ILE A 15 6.481 4.495 -3.800 1.00 0.25 C ATOM 192 CG2 ILE A 15 5.911 2.074 -3.711 1.00 0.29 C ATOM 193 CD1 ILE A 15 7.809 4.289 -3.101 1.00 0.33 C ATOM 0 H ILE A 15 7.187 5.054 -6.042 1.00 0.22 H new ATOM 0 HA ILE A 15 7.792 2.407 -5.439 1.00 0.19 H new ATOM 0 HB ILE A 15 5.028 3.543 -5.023 1.00 0.21 H new ATOM 0 HG12 ILE A 15 6.562 5.358 -4.461 1.00 0.25 H new ATOM 0 HG13 ILE A 15 5.724 4.735 -3.053 1.00 0.25 H new ATOM 0 HG21 ILE A 15 5.253 2.295 -2.871 1.00 0.29 H new ATOM 0 HG22 ILE A 15 5.508 1.233 -4.276 1.00 0.29 H new ATOM 0 HG23 ILE A 15 6.903 1.819 -3.338 1.00 0.29 H new ATOM 0 HD11 ILE A 15 8.072 5.190 -2.546 1.00 0.33 H new ATOM 0 HD12 ILE A 15 7.731 3.448 -2.412 1.00 0.33 H new ATOM 0 HD13 ILE A 15 8.581 4.081 -3.841 1.00 0.33 H new ATOM 200 N SER A 16 5.213 2.879 -7.499 1.00 0.18 N ATOM 201 CA SER A 16 4.268 2.211 -8.384 1.00 0.25 C ATOM 202 C SER A 16 4.973 1.534 -9.558 1.00 0.22 C ATOM 203 O SER A 16 4.633 0.410 -9.928 1.00 0.30 O ATOM 204 CB SER A 16 3.217 3.200 -8.883 1.00 0.32 C ATOM 205 OG SER A 16 3.820 4.353 -9.447 1.00 0.30 O ATOM 0 H SER A 16 5.106 3.892 -7.452 1.00 0.18 H new ATOM 0 HA SER A 16 3.771 1.430 -7.809 1.00 0.25 H new ATOM 0 HB2 SER A 16 2.585 2.717 -9.628 1.00 0.32 H new ATOM 0 HB3 SER A 16 2.569 3.493 -8.057 1.00 0.32 H new ATOM 0 HG SER A 16 4.056 4.981 -8.733 1.00 0.30 H new ATOM 211 N PHE A 17 5.958 2.215 -10.126 1.00 0.18 N ATOM 212 CA PHE A 17 6.730 1.671 -11.236 1.00 0.24 C ATOM 213 C PHE A 17 7.479 0.412 -10.805 1.00 0.28 C ATOM 214 O PHE A 17 7.486 -0.597 -11.512 1.00 0.37 O ATOM 215 CB PHE A 17 7.711 2.734 -11.746 1.00 0.29 C ATOM 216 CG PHE A 17 8.674 2.238 -12.786 1.00 0.38 C ATOM 217 CD1 PHE A 17 9.983 1.941 -12.452 1.00 0.39 C ATOM 218 CD2 PHE A 17 8.265 2.067 -14.099 1.00 0.49 C ATOM 219 CE1 PHE A 17 10.868 1.483 -13.409 1.00 0.49 C ATOM 220 CE2 PHE A 17 9.143 1.610 -15.059 1.00 0.59 C ATOM 221 CZ PHE A 17 10.464 1.326 -14.702 1.00 0.58 C ATOM 0 H PHE A 17 6.243 3.150 -9.835 1.00 0.18 H new ATOM 0 HA PHE A 17 6.050 1.397 -12.042 1.00 0.24 H new ATOM 0 HB2 PHE A 17 7.143 3.566 -12.161 1.00 0.29 H new ATOM 0 HB3 PHE A 17 8.277 3.125 -10.900 1.00 0.29 H new ATOM 0 HD1 PHE A 17 10.317 2.068 -11.433 1.00 0.39 H new ATOM 0 HD2 PHE A 17 7.246 2.295 -14.374 1.00 0.49 H new ATOM 0 HE1 PHE A 17 11.885 1.248 -13.132 1.00 0.49 H new ATOM 0 HE2 PHE A 17 8.813 1.473 -16.078 1.00 0.59 H new ATOM 0 HZ PHE A 17 11.164 0.983 -15.449 1.00 0.58 H new ATOM 231 N ARG A 18 8.097 0.471 -9.636 1.00 0.24 N ATOM 232 CA ARG A 18 8.923 -0.627 -9.155 1.00 0.29 C ATOM 233 C ARG A 18 8.077 -1.767 -8.581 1.00 0.28 C ATOM 234 O ARG A 18 8.459 -2.933 -8.670 1.00 0.30 O ATOM 235 CB ARG A 18 9.943 -0.103 -8.139 1.00 0.37 C ATOM 236 CG ARG A 18 10.813 0.998 -8.726 1.00 0.41 C ATOM 237 CD ARG A 18 11.732 1.636 -7.697 1.00 0.57 C ATOM 238 NE ARG A 18 12.257 2.917 -8.175 1.00 1.49 N ATOM 239 CZ ARG A 18 13.552 3.201 -8.307 1.00 1.74 C ATOM 240 NH1 ARG A 18 14.474 2.298 -7.992 1.00 1.26 N ATOM 241 NH2 ARG A 18 13.917 4.397 -8.752 1.00 2.83 N ATOM 0 H ARG A 18 8.043 1.268 -9.002 1.00 0.24 H new ATOM 0 HA ARG A 18 9.466 -1.048 -10.001 1.00 0.29 H new ATOM 0 HB2 ARG A 18 9.419 0.277 -7.262 1.00 0.37 H new ATOM 0 HB3 ARG A 18 10.575 -0.925 -7.802 1.00 0.37 H new ATOM 0 HG2 ARG A 18 11.414 0.586 -9.537 1.00 0.41 H new ATOM 0 HG3 ARG A 18 10.174 1.766 -9.161 1.00 0.41 H new ATOM 0 HD2 ARG A 18 11.188 1.788 -6.765 1.00 0.57 H new ATOM 0 HD3 ARG A 18 12.559 0.961 -7.476 1.00 0.57 H new ATOM 0 HE ARG A 18 11.584 3.642 -8.424 1.00 1.49 H new ATOM 0 HH11 ARG A 18 14.192 1.381 -7.647 1.00 1.26 H new ATOM 0 HH12 ARG A 18 15.464 2.522 -8.096 1.00 1.26 H new ATOM 0 HH21 ARG A 18 13.208 5.091 -8.990 1.00 2.83 H new ATOM 0 HH22 ARG A 18 14.906 4.622 -8.856 1.00 2.83 H new ATOM 255 N LEU A 19 6.922 -1.437 -8.008 1.00 0.27 N ATOM 256 CA LEU A 19 6.014 -2.452 -7.478 1.00 0.25 C ATOM 257 C LEU A 19 5.227 -3.140 -8.580 1.00 0.28 C ATOM 258 O LEU A 19 4.649 -4.205 -8.359 1.00 0.38 O ATOM 259 CB LEU A 19 5.030 -1.850 -6.475 1.00 0.29 C ATOM 260 CG LEU A 19 5.492 -1.867 -5.026 1.00 0.35 C ATOM 261 CD1 LEU A 19 5.654 -3.289 -4.530 1.00 0.99 C ATOM 262 CD2 LEU A 19 6.792 -1.129 -4.889 1.00 0.63 C ATOM 0 H LEU A 19 6.593 -0.478 -7.899 1.00 0.27 H new ATOM 0 HA LEU A 19 6.641 -3.189 -6.977 1.00 0.25 H new ATOM 0 HB2 LEU A 19 4.827 -0.818 -6.763 1.00 0.29 H new ATOM 0 HB3 LEU A 19 4.087 -2.392 -6.545 1.00 0.29 H new ATOM 0 HG LEU A 19 4.733 -1.372 -4.420 1.00 0.35 H new ATOM 0 HD11 LEU A 19 5.985 -3.277 -3.492 1.00 0.99 H new ATOM 0 HD12 LEU A 19 4.699 -3.810 -4.600 1.00 0.99 H new ATOM 0 HD13 LEU A 19 6.395 -3.805 -5.141 1.00 0.99 H new ATOM 0 HD21 LEU A 19 7.113 -1.148 -3.848 1.00 0.63 H new ATOM 0 HD22 LEU A 19 7.549 -1.607 -5.511 1.00 0.63 H new ATOM 0 HD23 LEU A 19 6.659 -0.096 -5.209 1.00 0.63 H new ATOM 274 N GLN A 20 5.220 -2.529 -9.769 1.00 0.25 N ATOM 275 CA GLN A 20 4.283 -2.905 -10.821 1.00 0.28 C ATOM 276 C GLN A 20 2.877 -2.759 -10.260 1.00 0.28 C ATOM 277 O GLN A 20 1.993 -3.586 -10.477 1.00 0.35 O ATOM 278 CB GLN A 20 4.549 -4.326 -11.321 1.00 0.36 C ATOM 279 CG GLN A 20 5.852 -4.451 -12.092 1.00 0.88 C ATOM 280 CD GLN A 20 6.156 -5.877 -12.502 1.00 1.00 C ATOM 281 OE1 GLN A 20 5.250 -6.687 -12.693 1.00 1.36 O ATOM 282 NE2 GLN A 20 7.435 -6.197 -12.636 1.00 1.60 N ATOM 0 H GLN A 20 5.855 -1.772 -10.023 1.00 0.25 H new ATOM 0 HA GLN A 20 4.405 -2.253 -11.686 1.00 0.28 H new ATOM 0 HB2 GLN A 20 4.570 -5.006 -10.470 1.00 0.36 H new ATOM 0 HB3 GLN A 20 3.724 -4.641 -11.960 1.00 0.36 H new ATOM 0 HG2 GLN A 20 5.804 -3.824 -12.982 1.00 0.88 H new ATOM 0 HG3 GLN A 20 6.670 -4.072 -11.479 1.00 0.88 H new ATOM 0 HE21 GLN A 20 8.156 -5.496 -12.468 1.00 1.60 H new ATOM 0 HE22 GLN A 20 7.698 -7.145 -12.907 1.00 1.60 H new ATOM 291 N GLU A 21 2.720 -1.672 -9.519 1.00 0.29 N ATOM 292 CA GLU A 21 1.541 -1.402 -8.712 1.00 0.36 C ATOM 293 C GLU A 21 0.409 -0.829 -9.570 1.00 0.31 C ATOM 294 O GLU A 21 0.537 0.246 -10.160 1.00 0.36 O ATOM 295 CB GLU A 21 1.953 -0.434 -7.589 1.00 0.53 C ATOM 296 CG GLU A 21 0.814 0.184 -6.796 1.00 0.79 C ATOM 297 CD GLU A 21 -0.008 -0.814 -6.012 1.00 0.70 C ATOM 298 OE1 GLU A 21 0.246 -0.980 -4.802 1.00 1.07 O ATOM 299 OE2 GLU A 21 -0.929 -1.415 -6.597 1.00 1.31 O ATOM 0 H GLU A 21 3.425 -0.937 -9.461 1.00 0.29 H new ATOM 0 HA GLU A 21 1.158 -2.325 -8.277 1.00 0.36 H new ATOM 0 HB2 GLU A 21 2.605 -0.967 -6.897 1.00 0.53 H new ATOM 0 HB3 GLU A 21 2.544 0.371 -8.027 1.00 0.53 H new ATOM 0 HG2 GLU A 21 1.225 0.921 -6.106 1.00 0.79 H new ATOM 0 HG3 GLU A 21 0.158 0.720 -7.482 1.00 0.79 H new ATOM 306 N PRO A 22 -0.696 -1.583 -9.672 1.00 0.27 N ATOM 307 CA PRO A 22 -1.915 -1.183 -10.404 1.00 0.28 C ATOM 308 C PRO A 22 -2.582 0.071 -9.839 1.00 0.30 C ATOM 309 O PRO A 22 -2.943 0.989 -10.580 1.00 0.41 O ATOM 310 CB PRO A 22 -2.846 -2.386 -10.197 1.00 0.30 C ATOM 311 CG PRO A 22 -2.334 -3.008 -8.948 1.00 0.31 C ATOM 312 CD PRO A 22 -0.852 -2.919 -9.080 1.00 0.31 C ATOM 0 HA PRO A 22 -1.689 -0.940 -11.442 1.00 0.28 H new ATOM 0 HB2 PRO A 22 -3.886 -2.076 -10.094 1.00 0.30 H new ATOM 0 HB3 PRO A 22 -2.801 -3.078 -11.038 1.00 0.30 H new ATOM 0 HG2 PRO A 22 -2.688 -2.478 -8.064 1.00 0.31 H new ATOM 0 HG3 PRO A 22 -2.665 -4.042 -8.853 1.00 0.31 H new ATOM 0 HD2 PRO A 22 -0.348 -3.004 -8.117 1.00 0.31 H new ATOM 0 HD3 PRO A 22 -0.448 -3.703 -9.721 1.00 0.31 H new ATOM 320 N LYS A 23 -2.757 0.096 -8.526 1.00 0.30 N ATOM 321 CA LYS A 23 -3.449 1.189 -7.866 1.00 0.35 C ATOM 322 C LYS A 23 -2.444 2.237 -7.425 1.00 0.34 C ATOM 323 O LYS A 23 -2.154 2.408 -6.237 1.00 0.45 O ATOM 324 CB LYS A 23 -4.254 0.665 -6.686 1.00 0.42 C ATOM 325 CG LYS A 23 -3.452 -0.261 -5.810 1.00 0.44 C ATOM 326 CD LYS A 23 -4.189 -0.616 -4.549 1.00 0.77 C ATOM 327 CE LYS A 23 -3.313 -1.440 -3.637 1.00 0.73 C ATOM 328 NZ LYS A 23 -4.070 -1.925 -2.454 1.00 1.41 N ATOM 0 H LYS A 23 -2.426 -0.634 -7.895 1.00 0.30 H new ATOM 0 HA LYS A 23 -4.145 1.653 -8.565 1.00 0.35 H new ATOM 0 HB2 LYS A 23 -4.611 1.506 -6.091 1.00 0.42 H new ATOM 0 HB3 LYS A 23 -5.135 0.140 -7.055 1.00 0.42 H new ATOM 0 HG2 LYS A 23 -3.218 -1.171 -6.362 1.00 0.44 H new ATOM 0 HG3 LYS A 23 -2.503 0.211 -5.556 1.00 0.44 H new ATOM 0 HD2 LYS A 23 -4.503 0.293 -4.037 1.00 0.77 H new ATOM 0 HD3 LYS A 23 -5.094 -1.173 -4.794 1.00 0.77 H new ATOM 0 HE2 LYS A 23 -2.910 -2.290 -4.187 1.00 0.73 H new ATOM 0 HE3 LYS A 23 -2.463 -0.842 -3.307 1.00 0.73 H new ATOM 0 HZ1 LYS A 23 -3.691 -1.481 -1.593 1.00 1.41 H new ATOM 0 HZ2 LYS A 23 -5.074 -1.676 -2.559 1.00 1.41 H new ATOM 0 HZ3 LYS A 23 -3.975 -2.958 -2.381 1.00 1.41 H new ATOM 342 N LYS A 24 -1.932 2.947 -8.407 1.00 0.29 N ATOM 343 CA LYS A 24 -0.863 3.904 -8.207 1.00 0.29 C ATOM 344 C LYS A 24 -1.315 5.071 -7.332 1.00 0.31 C ATOM 345 O LYS A 24 -0.491 5.801 -6.783 1.00 0.35 O ATOM 346 CB LYS A 24 -0.379 4.393 -9.563 1.00 0.31 C ATOM 347 CG LYS A 24 -0.265 3.262 -10.573 1.00 0.30 C ATOM 348 CD LYS A 24 0.273 3.755 -11.906 1.00 0.42 C ATOM 349 CE LYS A 24 0.389 2.621 -12.913 1.00 1.15 C ATOM 350 NZ LYS A 24 0.663 3.121 -14.287 1.00 1.75 N ATOM 0 H LYS A 24 -2.248 2.877 -9.374 1.00 0.29 H new ATOM 0 HA LYS A 24 -0.042 3.416 -7.683 1.00 0.29 H new ATOM 0 HB2 LYS A 24 -1.067 5.149 -9.942 1.00 0.31 H new ATOM 0 HB3 LYS A 24 0.592 4.875 -9.448 1.00 0.31 H new ATOM 0 HG2 LYS A 24 0.392 2.486 -10.179 1.00 0.30 H new ATOM 0 HG3 LYS A 24 -1.244 2.806 -10.721 1.00 0.30 H new ATOM 0 HD2 LYS A 24 -0.385 4.529 -12.302 1.00 0.42 H new ATOM 0 HD3 LYS A 24 1.251 4.213 -11.758 1.00 0.42 H new ATOM 0 HE2 LYS A 24 1.188 1.945 -12.607 1.00 1.15 H new ATOM 0 HE3 LYS A 24 -0.535 2.042 -12.915 1.00 1.15 H new ATOM 0 HZ1 LYS A 24 0.735 2.316 -14.942 1.00 1.75 H new ATOM 0 HZ2 LYS A 24 -0.111 3.746 -14.590 1.00 1.75 H new ATOM 0 HZ3 LYS A 24 1.558 3.651 -14.291 1.00 1.75 H new ATOM 364 N ASP A 25 -2.625 5.238 -7.201 1.00 0.31 N ATOM 365 CA ASP A 25 -3.178 6.261 -6.318 1.00 0.38 C ATOM 366 C ASP A 25 -3.057 5.830 -4.857 1.00 0.31 C ATOM 367 O ASP A 25 -2.755 6.642 -3.984 1.00 0.34 O ATOM 368 CB ASP A 25 -4.646 6.548 -6.661 1.00 0.54 C ATOM 369 CG ASP A 25 -4.818 7.190 -8.025 1.00 1.32 C ATOM 370 OD1 ASP A 25 -5.188 6.477 -8.984 1.00 2.14 O ATOM 371 OD2 ASP A 25 -4.571 8.405 -8.151 1.00 1.87 O ATOM 0 H ASP A 25 -3.324 4.681 -7.693 1.00 0.31 H new ATOM 0 HA ASP A 25 -2.604 7.176 -6.465 1.00 0.38 H new ATOM 0 HB2 ASP A 25 -5.210 5.616 -6.630 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -5.070 7.203 -5.900 1.00 0.54 H new ATOM 376 N LEU A 26 -3.282 4.545 -4.597 1.00 0.28 N ATOM 377 CA LEU A 26 -3.211 4.014 -3.237 1.00 0.31 C ATOM 378 C LEU A 26 -1.757 3.928 -2.787 1.00 0.25 C ATOM 379 O LEU A 26 -1.418 4.299 -1.663 1.00 0.24 O ATOM 380 CB LEU A 26 -3.883 2.635 -3.165 1.00 0.40 C ATOM 381 CG LEU A 26 -4.309 2.156 -1.763 1.00 0.58 C ATOM 382 CD1 LEU A 26 -3.110 1.807 -0.890 1.00 1.33 C ATOM 383 CD2 LEU A 26 -5.170 3.208 -1.082 1.00 1.18 C ATOM 0 H LEU A 26 -3.515 3.852 -5.308 1.00 0.28 H new ATOM 0 HA LEU A 26 -3.744 4.688 -2.566 1.00 0.31 H new ATOM 0 HB2 LEU A 26 -4.766 2.651 -3.804 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -3.198 1.898 -3.585 1.00 0.40 H new ATOM 0 HG LEU A 26 -4.894 1.246 -1.894 1.00 0.58 H new ATOM 0 HD11 LEU A 26 -3.457 1.474 0.088 1.00 1.33 H new ATOM 0 HD12 LEU A 26 -2.536 1.009 -1.362 1.00 1.33 H new ATOM 0 HD13 LEU A 26 -2.478 2.687 -0.771 1.00 1.33 H new ATOM 0 HD21 LEU A 26 -5.462 2.854 -0.093 1.00 1.18 H new ATOM 0 HD22 LEU A 26 -4.603 4.134 -0.983 1.00 1.18 H new ATOM 0 HD23 LEU A 26 -6.062 3.391 -1.681 1.00 1.18 H new ATOM 395 N ILE A 27 -0.902 3.448 -3.677 1.00 0.23 N ATOM 396 CA ILE A 27 0.520 3.336 -3.387 1.00 0.23 C ATOM 397 C ILE A 27 1.118 4.735 -3.172 1.00 0.22 C ATOM 398 O ILE A 27 2.109 4.900 -2.469 1.00 0.24 O ATOM 399 CB ILE A 27 1.262 2.561 -4.508 1.00 0.24 C ATOM 400 CG1 ILE A 27 2.633 2.069 -4.046 1.00 0.28 C ATOM 401 CG2 ILE A 27 1.393 3.398 -5.753 1.00 0.34 C ATOM 402 CD1 ILE A 27 2.549 1.075 -2.919 1.00 0.44 C ATOM 0 H ILE A 27 -1.169 3.129 -4.608 1.00 0.23 H new ATOM 0 HA ILE A 27 0.649 2.763 -2.469 1.00 0.23 H new ATOM 0 HB ILE A 27 0.658 1.685 -4.744 1.00 0.24 H new ATOM 0 HG12 ILE A 27 3.152 1.612 -4.889 1.00 0.28 H new ATOM 0 HG13 ILE A 27 3.231 2.923 -3.727 1.00 0.28 H new ATOM 0 HG21 ILE A 27 1.917 2.829 -6.521 1.00 0.34 H new ATOM 0 HG22 ILE A 27 0.401 3.669 -6.115 1.00 0.34 H new ATOM 0 HG23 ILE A 27 1.956 4.303 -5.525 1.00 0.34 H new ATOM 0 HD11 ILE A 27 3.554 0.762 -2.634 1.00 0.44 H new ATOM 0 HD12 ILE A 27 2.056 1.536 -2.063 1.00 0.44 H new ATOM 0 HD13 ILE A 27 1.976 0.206 -3.242 1.00 0.44 H new ATOM 409 N ALA A 28 0.500 5.743 -3.791 1.00 0.21 N ATOM 410 CA ALA A 28 0.860 7.136 -3.542 1.00 0.21 C ATOM 411 C ALA A 28 0.365 7.590 -2.175 1.00 0.21 C ATOM 412 O ALA A 28 0.983 8.438 -1.534 1.00 0.20 O ATOM 413 CB ALA A 28 0.301 8.054 -4.614 1.00 0.21 C ATOM 0 H ALA A 28 -0.252 5.618 -4.468 1.00 0.21 H new ATOM 0 HA ALA A 28 1.948 7.195 -3.566 1.00 0.21 H new ATOM 0 HB1 ALA A 28 0.588 9.083 -4.398 1.00 0.21 H new ATOM 0 HB2 ALA A 28 0.699 7.763 -5.586 1.00 0.21 H new ATOM 0 HB3 ALA A 28 -0.786 7.976 -4.629 1.00 0.21 H new ATOM 419 N ARG A 29 -0.774 7.061 -1.750 1.00 0.21 N ATOM 420 CA ARG A 29 -1.331 7.410 -0.453 1.00 0.21 C ATOM 421 C ARG A 29 -0.371 7.070 0.684 1.00 0.19 C ATOM 422 O ARG A 29 -0.171 7.882 1.587 1.00 0.17 O ATOM 423 CB ARG A 29 -2.672 6.725 -0.204 1.00 0.22 C ATOM 424 CG ARG A 29 -2.963 6.585 1.278 1.00 0.27 C ATOM 425 CD ARG A 29 -4.449 6.468 1.586 1.00 0.29 C ATOM 426 NE ARG A 29 -5.155 7.731 1.386 1.00 0.64 N ATOM 427 CZ ARG A 29 -6.098 8.192 2.212 1.00 1.11 C ATOM 428 NH1 ARG A 29 -6.483 7.474 3.263 1.00 1.48 N ATOM 429 NH2 ARG A 29 -6.648 9.380 1.988 1.00 1.47 N ATOM 0 H ARG A 29 -1.328 6.391 -2.283 1.00 0.21 H new ATOM 0 HA ARG A 29 -1.489 8.488 -0.472 1.00 0.21 H new ATOM 0 HB2 ARG A 29 -3.468 7.299 -0.679 1.00 0.22 H new ATOM 0 HB3 ARG A 29 -2.669 5.739 -0.669 1.00 0.22 H new ATOM 0 HG2 ARG A 29 -2.448 5.704 1.662 1.00 0.27 H new ATOM 0 HG3 ARG A 29 -2.555 7.448 1.805 1.00 0.27 H new ATOM 0 HD2 ARG A 29 -4.891 5.702 0.949 1.00 0.29 H new ATOM 0 HD3 ARG A 29 -4.580 6.140 2.617 1.00 0.29 H new ATOM 0 HE ARG A 29 -4.914 8.293 0.569 1.00 0.64 H new ATOM 0 HH11 ARG A 29 -6.058 6.565 3.443 1.00 1.48 H new ATOM 0 HH12 ARG A 29 -7.204 7.833 3.889 1.00 1.48 H new ATOM 0 HH21 ARG A 29 -6.350 9.937 1.187 1.00 1.47 H new ATOM 0 HH22 ARG A 29 -7.368 9.735 2.617 1.00 1.47 H new ATOM 443 N VAL A 30 0.213 5.876 0.647 1.00 0.21 N ATOM 444 CA VAL A 30 1.138 5.466 1.699 1.00 0.23 C ATOM 445 C VAL A 30 2.282 6.470 1.794 1.00 0.19 C ATOM 446 O VAL A 30 2.740 6.809 2.884 1.00 0.17 O ATOM 447 CB VAL A 30 1.685 4.032 1.473 1.00 0.34 C ATOM 448 CG1 VAL A 30 2.657 3.974 0.308 1.00 1.03 C ATOM 449 CG2 VAL A 30 2.336 3.501 2.739 1.00 1.10 C ATOM 0 H VAL A 30 0.066 5.184 -0.088 1.00 0.21 H new ATOM 0 HA VAL A 30 0.589 5.449 2.640 1.00 0.23 H new ATOM 0 HB VAL A 30 0.836 3.396 1.222 1.00 0.34 H new ATOM 0 HG11 VAL A 30 3.016 2.952 0.184 1.00 1.03 H new ATOM 0 HG12 VAL A 30 2.152 4.294 -0.603 1.00 1.03 H new ATOM 0 HG13 VAL A 30 3.502 4.634 0.506 1.00 1.03 H new ATOM 0 HG21 VAL A 30 2.713 2.494 2.559 1.00 1.10 H new ATOM 0 HG22 VAL A 30 3.162 4.152 3.024 1.00 1.10 H new ATOM 0 HG23 VAL A 30 1.600 3.475 3.543 1.00 1.10 H new ATOM 453 N VAL A 31 2.689 6.972 0.634 1.00 0.19 N ATOM 454 CA VAL A 31 3.675 8.033 0.530 1.00 0.19 C ATOM 455 C VAL A 31 3.256 9.241 1.352 1.00 0.17 C ATOM 456 O VAL A 31 4.025 9.766 2.149 1.00 0.20 O ATOM 457 CB VAL A 31 3.806 8.474 -0.933 1.00 0.20 C ATOM 458 CG1 VAL A 31 4.725 9.681 -1.070 1.00 0.20 C ATOM 459 CG2 VAL A 31 4.298 7.329 -1.799 1.00 0.22 C ATOM 0 H VAL A 31 2.338 6.649 -0.268 1.00 0.19 H new ATOM 0 HA VAL A 31 4.624 7.649 0.903 1.00 0.19 H new ATOM 0 HB VAL A 31 2.815 8.768 -1.278 1.00 0.20 H new ATOM 0 HG11 VAL A 31 4.796 9.967 -2.119 1.00 0.20 H new ATOM 0 HG12 VAL A 31 4.321 10.513 -0.493 1.00 0.20 H new ATOM 0 HG13 VAL A 31 5.717 9.428 -0.696 1.00 0.20 H new ATOM 0 HG21 VAL A 31 4.383 7.665 -2.832 1.00 0.22 H new ATOM 0 HG22 VAL A 31 5.274 6.997 -1.444 1.00 0.22 H new ATOM 0 HG23 VAL A 31 3.591 6.501 -1.744 1.00 0.22 H new ATOM 463 N ARG A 32 2.022 9.670 1.142 1.00 0.16 N ATOM 464 CA ARG A 32 1.490 10.843 1.819 1.00 0.19 C ATOM 465 C ARG A 32 1.421 10.631 3.332 1.00 0.18 C ATOM 466 O ARG A 32 1.777 11.515 4.110 1.00 0.23 O ATOM 467 CB ARG A 32 0.094 11.183 1.287 1.00 0.26 C ATOM 468 CG ARG A 32 0.083 12.226 0.177 1.00 1.08 C ATOM 469 CD ARG A 32 0.877 11.787 -1.042 1.00 1.37 C ATOM 470 NE ARG A 32 0.848 12.804 -2.093 1.00 2.21 N ATOM 471 CZ ARG A 32 1.141 12.572 -3.372 1.00 2.78 C ATOM 472 NH1 ARG A 32 1.542 11.370 -3.762 1.00 2.81 N ATOM 473 NH2 ARG A 32 1.035 13.549 -4.263 1.00 3.75 N ATOM 0 H ARG A 32 1.366 9.220 0.504 1.00 0.16 H new ATOM 0 HA ARG A 32 2.168 11.672 1.616 1.00 0.19 H new ATOM 0 HB2 ARG A 32 -0.373 10.270 0.917 1.00 0.26 H new ATOM 0 HB3 ARG A 32 -0.519 11.542 2.113 1.00 0.26 H new ATOM 0 HG2 ARG A 32 -0.947 12.428 -0.118 1.00 1.08 H new ATOM 0 HG3 ARG A 32 0.495 13.161 0.557 1.00 1.08 H new ATOM 0 HD2 ARG A 32 1.909 11.589 -0.754 1.00 1.37 H new ATOM 0 HD3 ARG A 32 0.469 10.852 -1.427 1.00 1.37 H new ATOM 0 HE ARG A 32 0.586 13.754 -1.829 1.00 2.21 H new ATOM 0 HH11 ARG A 32 1.628 10.615 -3.081 1.00 2.81 H new ATOM 0 HH12 ARG A 32 1.764 11.200 -4.743 1.00 2.81 H new ATOM 0 HH21 ARG A 32 0.730 14.477 -3.969 1.00 3.75 H new ATOM 0 HH22 ARG A 32 1.259 13.373 -5.242 1.00 3.75 H new ATOM 487 N ILE A 33 0.965 9.451 3.736 1.00 0.16 N ATOM 488 CA ILE A 33 0.702 9.168 5.142 1.00 0.17 C ATOM 489 C ILE A 33 1.983 8.947 5.960 1.00 0.18 C ATOM 490 O ILE A 33 2.169 9.592 6.993 1.00 0.22 O ATOM 491 CB ILE A 33 -0.267 7.976 5.295 1.00 0.21 C ATOM 492 CG1 ILE A 33 -1.596 8.321 4.612 1.00 0.30 C ATOM 493 CG2 ILE A 33 -0.491 7.635 6.765 1.00 0.21 C ATOM 494 CD1 ILE A 33 -2.708 7.343 4.898 1.00 0.80 C ATOM 0 H ILE A 33 0.769 8.672 3.107 1.00 0.16 H new ATOM 0 HA ILE A 33 0.225 10.058 5.552 1.00 0.17 H new ATOM 0 HB ILE A 33 0.171 7.098 4.819 1.00 0.21 H new ATOM 0 HG12 ILE A 33 -1.909 9.315 4.932 1.00 0.30 H new ATOM 0 HG13 ILE A 33 -1.437 8.369 3.535 1.00 0.30 H new ATOM 0 HG21 ILE A 33 -1.178 6.792 6.842 1.00 0.21 H new ATOM 0 HG22 ILE A 33 0.461 7.372 7.227 1.00 0.21 H new ATOM 0 HG23 ILE A 33 -0.916 8.498 7.278 1.00 0.21 H new ATOM 0 HD11 ILE A 33 -3.613 7.659 4.378 1.00 0.80 H new ATOM 0 HD12 ILE A 33 -2.418 6.351 4.552 1.00 0.80 H new ATOM 0 HD13 ILE A 33 -2.898 7.312 5.971 1.00 0.80 H new ATOM 501 N ILE A 34 2.875 8.060 5.513 1.00 0.20 N ATOM 502 CA ILE A 34 4.084 7.770 6.292 1.00 0.25 C ATOM 503 C ILE A 34 5.223 8.720 5.938 1.00 0.23 C ATOM 504 O ILE A 34 6.082 9.009 6.772 1.00 0.30 O ATOM 505 CB ILE A 34 4.577 6.308 6.147 1.00 0.30 C ATOM 506 CG1 ILE A 34 4.935 5.973 4.696 1.00 0.26 C ATOM 507 CG2 ILE A 34 3.534 5.335 6.673 1.00 0.40 C ATOM 508 CD1 ILE A 34 5.463 4.565 4.516 1.00 0.34 C ATOM 0 H ILE A 34 2.789 7.541 4.639 1.00 0.20 H new ATOM 0 HA ILE A 34 3.792 7.919 7.331 1.00 0.25 H new ATOM 0 HB ILE A 34 5.483 6.208 6.744 1.00 0.30 H new ATOM 0 HG12 ILE A 34 4.051 6.104 4.072 1.00 0.26 H new ATOM 0 HG13 ILE A 34 5.683 6.682 4.341 1.00 0.26 H new ATOM 0 HG21 ILE A 34 3.900 4.314 6.562 1.00 0.40 H new ATOM 0 HG22 ILE A 34 3.344 5.540 7.727 1.00 0.40 H new ATOM 0 HG23 ILE A 34 2.609 5.452 6.108 1.00 0.40 H new ATOM 0 HD11 ILE A 34 5.696 4.396 3.465 1.00 0.34 H new ATOM 0 HD12 ILE A 34 6.365 4.436 5.114 1.00 0.34 H new ATOM 0 HD13 ILE A 34 4.708 3.849 4.840 1.00 0.34 H new ATOM 515 N GLY A 35 5.223 9.216 4.711 1.00 0.23 N ATOM 516 CA GLY A 35 6.255 10.138 4.296 1.00 0.24 C ATOM 517 C GLY A 35 6.978 9.675 3.049 1.00 0.22 C ATOM 518 O GLY A 35 7.049 8.475 2.775 1.00 0.26 O ATOM 0 H GLY A 35 4.528 8.997 3.997 1.00 0.23 H new ATOM 0 HA2 GLY A 35 5.811 11.117 4.113 1.00 0.24 H new ATOM 0 HA3 GLY A 35 6.975 10.261 5.105 1.00 0.24 H new ATOM 522 N ASN A 36 7.523 10.631 2.305 1.00 0.30 N ATOM 523 CA ASN A 36 8.239 10.342 1.065 1.00 0.34 C ATOM 524 C ASN A 36 9.456 9.460 1.326 1.00 0.27 C ATOM 525 O ASN A 36 9.735 8.534 0.565 1.00 0.27 O ATOM 526 CB ASN A 36 8.667 11.642 0.357 1.00 0.46 C ATOM 527 CG ASN A 36 9.598 12.522 1.188 1.00 0.55 C ATOM 528 OD1 ASN A 36 9.533 12.545 2.420 1.00 0.91 O ATOM 529 ND2 ASN A 36 10.467 13.258 0.514 1.00 0.71 N ATOM 0 H ASN A 36 7.482 11.622 2.541 1.00 0.30 H new ATOM 0 HA ASN A 36 7.556 9.801 0.411 1.00 0.34 H new ATOM 0 HB2 ASN A 36 9.164 11.388 -0.579 1.00 0.46 H new ATOM 0 HB3 ASN A 36 7.776 12.214 0.100 1.00 0.46 H new ATOM 0 HD21 ASN A 36 11.112 13.870 1.013 1.00 0.71 H new ATOM 0 HD22 ASN A 36 10.492 13.213 -0.505 1.00 0.71 H new ATOM 536 N LYS A 37 10.161 9.736 2.416 1.00 0.31 N ATOM 537 CA LYS A 37 11.357 8.984 2.753 1.00 0.33 C ATOM 538 C LYS A 37 10.995 7.583 3.226 1.00 0.27 C ATOM 539 O LYS A 37 11.641 6.614 2.845 1.00 0.31 O ATOM 540 CB LYS A 37 12.178 9.713 3.819 1.00 0.46 C ATOM 541 CG LYS A 37 13.423 8.950 4.247 1.00 1.24 C ATOM 542 CD LYS A 37 14.196 9.691 5.324 1.00 1.85 C ATOM 543 CE LYS A 37 15.416 8.898 5.762 1.00 2.58 C ATOM 544 NZ LYS A 37 16.227 9.634 6.766 1.00 3.19 N ATOM 0 H LYS A 37 9.924 10.474 3.079 1.00 0.31 H new ATOM 0 HA LYS A 37 11.966 8.898 1.853 1.00 0.33 H new ATOM 0 HB2 LYS A 37 12.473 10.690 3.435 1.00 0.46 H new ATOM 0 HB3 LYS A 37 11.551 9.890 4.693 1.00 0.46 H new ATOM 0 HG2 LYS A 37 13.137 7.966 4.617 1.00 1.24 H new ATOM 0 HG3 LYS A 37 14.067 8.790 3.382 1.00 1.24 H new ATOM 0 HD2 LYS A 37 14.507 10.666 4.948 1.00 1.85 H new ATOM 0 HD3 LYS A 37 13.548 9.872 6.182 1.00 1.85 H new ATOM 0 HE2 LYS A 37 15.097 7.944 6.182 1.00 2.58 H new ATOM 0 HE3 LYS A 37 16.033 8.672 4.892 1.00 2.58 H new ATOM 0 HZ1 LYS A 37 17.049 9.058 7.038 1.00 3.19 H new ATOM 0 HZ2 LYS A 37 16.554 10.533 6.357 1.00 3.19 H new ATOM 0 HZ3 LYS A 37 15.647 9.827 7.607 1.00 3.19 H new ATOM 558 N LYS A 38 9.948 7.475 4.040 1.00 0.27 N ATOM 559 CA LYS A 38 9.514 6.173 4.544 1.00 0.27 C ATOM 560 C LYS A 38 9.025 5.277 3.416 1.00 0.24 C ATOM 561 O LYS A 38 9.105 4.056 3.511 1.00 0.32 O ATOM 562 CB LYS A 38 8.436 6.322 5.615 1.00 0.36 C ATOM 563 CG LYS A 38 8.989 6.238 7.028 1.00 1.07 C ATOM 564 CD LYS A 38 9.697 4.908 7.278 1.00 1.33 C ATOM 565 CE LYS A 38 8.735 3.726 7.212 1.00 1.33 C ATOM 566 NZ LYS A 38 9.414 2.431 7.495 1.00 2.45 N ATOM 0 H LYS A 38 9.388 8.264 4.363 1.00 0.27 H new ATOM 0 HA LYS A 38 10.382 5.699 5.001 1.00 0.27 H new ATOM 0 HB2 LYS A 38 7.931 7.279 5.484 1.00 0.36 H new ATOM 0 HB3 LYS A 38 7.685 5.544 5.478 1.00 0.36 H new ATOM 0 HG2 LYS A 38 9.686 7.059 7.196 1.00 1.07 H new ATOM 0 HG3 LYS A 38 8.177 6.358 7.745 1.00 1.07 H new ATOM 0 HD2 LYS A 38 10.487 4.774 6.539 1.00 1.33 H new ATOM 0 HD3 LYS A 38 10.176 4.931 8.257 1.00 1.33 H new ATOM 0 HE2 LYS A 38 7.928 3.876 7.930 1.00 1.33 H new ATOM 0 HE3 LYS A 38 8.278 3.686 6.223 1.00 1.33 H new ATOM 0 HZ1 LYS A 38 8.711 1.731 7.806 1.00 2.45 H new ATOM 0 HZ2 LYS A 38 9.885 2.090 6.632 1.00 2.45 H new ATOM 0 HZ3 LYS A 38 10.122 2.567 8.245 1.00 2.45 H new ATOM 580 N ALA A 39 8.526 5.883 2.350 1.00 0.20 N ATOM 581 CA ALA A 39 8.139 5.131 1.168 1.00 0.22 C ATOM 582 C ALA A 39 9.378 4.535 0.502 1.00 0.24 C ATOM 583 O ALA A 39 9.367 3.392 0.050 1.00 0.29 O ATOM 584 CB ALA A 39 7.376 6.017 0.200 1.00 0.26 C ATOM 0 H ALA A 39 8.380 6.890 2.279 1.00 0.20 H new ATOM 0 HA ALA A 39 7.480 4.316 1.467 1.00 0.22 H new ATOM 0 HB1 ALA A 39 7.094 5.437 -0.679 1.00 0.26 H new ATOM 0 HB2 ALA A 39 6.478 6.398 0.686 1.00 0.26 H new ATOM 0 HB3 ALA A 39 8.007 6.852 -0.103 1.00 0.26 H new ATOM 590 N ILE A 40 10.451 5.319 0.465 1.00 0.24 N ATOM 591 CA ILE A 40 11.721 4.855 -0.082 1.00 0.32 C ATOM 592 C ILE A 40 12.342 3.811 0.846 1.00 0.30 C ATOM 593 O ILE A 40 12.896 2.806 0.391 1.00 0.35 O ATOM 594 CB ILE A 40 12.715 6.023 -0.281 1.00 0.42 C ATOM 595 CG1 ILE A 40 12.084 7.129 -1.135 1.00 0.55 C ATOM 596 CG2 ILE A 40 14.007 5.534 -0.922 1.00 0.52 C ATOM 597 CD1 ILE A 40 11.650 6.678 -2.515 1.00 1.13 C ATOM 0 H ILE A 40 10.466 6.280 0.808 1.00 0.24 H new ATOM 0 HA ILE A 40 11.518 4.410 -1.056 1.00 0.32 H new ATOM 0 HB ILE A 40 12.953 6.433 0.700 1.00 0.42 H new ATOM 0 HG12 ILE A 40 11.219 7.531 -0.608 1.00 0.55 H new ATOM 0 HG13 ILE A 40 12.800 7.944 -1.240 1.00 0.55 H new ATOM 0 HG21 ILE A 40 14.690 6.374 -1.051 1.00 0.52 H new ATOM 0 HG22 ILE A 40 14.471 4.785 -0.280 1.00 0.52 H new ATOM 0 HG23 ILE A 40 13.787 5.093 -1.894 1.00 0.52 H new ATOM 0 HD11 ILE A 40 11.214 7.520 -3.053 1.00 1.13 H new ATOM 0 HD12 ILE A 40 12.514 6.305 -3.064 1.00 1.13 H new ATOM 0 HD13 ILE A 40 10.909 5.884 -2.422 1.00 1.13 H new ATOM 604 N GLU A 41 12.234 4.056 2.149 1.00 0.28 N ATOM 605 CA GLU A 41 12.708 3.111 3.154 1.00 0.32 C ATOM 606 C GLU A 41 12.009 1.770 2.992 1.00 0.31 C ATOM 607 O GLU A 41 12.649 0.720 3.040 1.00 0.37 O ATOM 608 CB GLU A 41 12.467 3.650 4.566 1.00 0.38 C ATOM 609 CG GLU A 41 13.244 4.914 4.886 1.00 0.79 C ATOM 610 CD GLU A 41 14.743 4.717 4.818 1.00 1.42 C ATOM 611 OE1 GLU A 41 15.329 4.932 3.741 1.00 2.10 O ATOM 612 OE2 GLU A 41 15.347 4.358 5.850 1.00 1.57 O ATOM 0 H GLU A 41 11.820 4.905 2.534 1.00 0.28 H new ATOM 0 HA GLU A 41 13.780 2.976 3.009 1.00 0.32 H new ATOM 0 HB2 GLU A 41 11.403 3.849 4.691 1.00 0.38 H new ATOM 0 HB3 GLU A 41 12.734 2.879 5.289 1.00 0.38 H new ATOM 0 HG2 GLU A 41 12.954 5.699 4.188 1.00 0.79 H new ATOM 0 HG3 GLU A 41 12.973 5.258 5.884 1.00 0.79 H new ATOM 619 N LEU A 42 10.695 1.813 2.765 1.00 0.26 N ATOM 620 CA LEU A 42 9.912 0.600 2.581 1.00 0.25 C ATOM 621 C LEU A 42 10.419 -0.196 1.387 1.00 0.24 C ATOM 622 O LEU A 42 10.396 -1.417 1.402 1.00 0.26 O ATOM 623 CB LEU A 42 8.426 0.916 2.384 1.00 0.25 C ATOM 624 CG LEU A 42 7.650 1.305 3.644 1.00 0.28 C ATOM 625 CD1 LEU A 42 6.199 1.573 3.294 1.00 0.29 C ATOM 626 CD2 LEU A 42 7.736 0.211 4.694 1.00 0.28 C ATOM 0 H LEU A 42 10.155 2.676 2.705 1.00 0.26 H new ATOM 0 HA LEU A 42 10.026 0.005 3.487 1.00 0.25 H new ATOM 0 HB2 LEU A 42 8.340 1.729 1.663 1.00 0.25 H new ATOM 0 HB3 LEU A 42 7.945 0.044 1.940 1.00 0.25 H new ATOM 0 HG LEU A 42 8.096 2.210 4.056 1.00 0.28 H new ATOM 0 HD11 LEU A 42 5.652 1.849 4.196 1.00 0.29 H new ATOM 0 HD12 LEU A 42 6.143 2.388 2.572 1.00 0.29 H new ATOM 0 HD13 LEU A 42 5.757 0.675 2.863 1.00 0.29 H new ATOM 0 HD21 LEU A 42 7.176 0.512 5.580 1.00 0.28 H new ATOM 0 HD22 LEU A 42 7.314 -0.711 4.294 1.00 0.28 H new ATOM 0 HD23 LEU A 42 8.779 0.046 4.963 1.00 0.28 H new ATOM 638 N LEU A 43 10.897 0.489 0.360 1.00 0.28 N ATOM 639 CA LEU A 43 11.422 -0.193 -0.813 1.00 0.33 C ATOM 640 C LEU A 43 12.639 -1.035 -0.443 1.00 0.31 C ATOM 641 O LEU A 43 12.886 -2.077 -1.043 1.00 0.38 O ATOM 642 CB LEU A 43 11.777 0.803 -1.916 1.00 0.46 C ATOM 643 CG LEU A 43 10.620 1.679 -2.402 1.00 0.52 C ATOM 644 CD1 LEU A 43 11.062 2.539 -3.571 1.00 1.36 C ATOM 645 CD2 LEU A 43 9.423 0.829 -2.796 1.00 1.24 C ATOM 0 H LEU A 43 10.933 1.507 0.314 1.00 0.28 H new ATOM 0 HA LEU A 43 10.644 -0.854 -1.193 1.00 0.33 H new ATOM 0 HB2 LEU A 43 12.575 1.451 -1.554 1.00 0.46 H new ATOM 0 HB3 LEU A 43 12.176 0.251 -2.767 1.00 0.46 H new ATOM 0 HG LEU A 43 10.320 2.330 -1.581 1.00 0.52 H new ATOM 0 HD11 LEU A 43 10.228 3.156 -3.905 1.00 1.36 H new ATOM 0 HD12 LEU A 43 11.886 3.181 -3.259 1.00 1.36 H new ATOM 0 HD13 LEU A 43 11.390 1.899 -4.390 1.00 1.36 H new ATOM 0 HD21 LEU A 43 8.615 1.475 -3.138 1.00 1.24 H new ATOM 0 HD22 LEU A 43 9.708 0.149 -3.599 1.00 1.24 H new ATOM 0 HD23 LEU A 43 9.087 0.252 -1.934 1.00 1.24 H new ATOM 657 N MET A 44 13.409 -0.578 0.534 1.00 0.28 N ATOM 658 CA MET A 44 14.488 -1.388 1.084 1.00 0.32 C ATOM 659 C MET A 44 13.921 -2.449 2.019 1.00 0.34 C ATOM 660 O MET A 44 14.373 -3.594 2.025 1.00 0.44 O ATOM 661 CB MET A 44 15.508 -0.521 1.820 1.00 0.33 C ATOM 662 CG MET A 44 16.258 0.432 0.908 1.00 0.93 C ATOM 663 SD MET A 44 17.079 -0.405 -0.466 1.00 1.99 S ATOM 664 CE MET A 44 18.208 -1.488 0.411 1.00 2.20 C ATOM 0 H MET A 44 13.309 0.343 0.960 1.00 0.28 H new ATOM 0 HA MET A 44 15.000 -1.880 0.257 1.00 0.32 H new ATOM 0 HB2 MET A 44 14.996 0.054 2.592 1.00 0.33 H new ATOM 0 HB3 MET A 44 16.225 -1.167 2.327 1.00 0.33 H new ATOM 0 HG2 MET A 44 15.561 1.171 0.512 1.00 0.93 H new ATOM 0 HG3 MET A 44 17.001 0.975 1.492 1.00 0.93 H new ATOM 0 HE1 MET A 44 18.938 -1.896 -0.288 1.00 2.20 H new ATOM 0 HE2 MET A 44 18.725 -0.923 1.187 1.00 2.20 H new ATOM 0 HE3 MET A 44 17.648 -2.304 0.868 1.00 2.20 H new ATOM 674 N GLU A 45 12.917 -2.055 2.797 1.00 0.32 N ATOM 675 CA GLU A 45 12.248 -2.956 3.728 1.00 0.42 C ATOM 676 C GLU A 45 11.602 -4.143 2.997 1.00 0.42 C ATOM 677 O GLU A 45 11.453 -5.222 3.577 1.00 0.53 O ATOM 678 CB GLU A 45 11.204 -2.186 4.559 1.00 0.48 C ATOM 679 CG GLU A 45 11.821 -1.204 5.557 1.00 1.12 C ATOM 680 CD GLU A 45 10.805 -0.282 6.225 1.00 1.39 C ATOM 681 OE1 GLU A 45 10.697 0.892 5.810 1.00 1.78 O ATOM 682 OE2 GLU A 45 10.117 -0.717 7.179 1.00 1.83 O ATOM 0 H GLU A 45 12.546 -1.105 2.800 1.00 0.32 H new ATOM 0 HA GLU A 45 13.000 -3.362 4.404 1.00 0.42 H new ATOM 0 HB2 GLU A 45 10.545 -1.640 3.884 1.00 0.48 H new ATOM 0 HB3 GLU A 45 10.584 -2.900 5.101 1.00 0.48 H new ATOM 0 HG2 GLU A 45 12.348 -1.767 6.327 1.00 1.12 H new ATOM 0 HG3 GLU A 45 12.565 -0.596 5.042 1.00 1.12 H new ATOM 689 N THR A 46 11.230 -3.951 1.722 1.00 0.35 N ATOM 690 CA THR A 46 10.651 -5.033 0.924 1.00 0.42 C ATOM 691 C THR A 46 11.591 -6.228 0.871 1.00 0.52 C ATOM 692 O THR A 46 11.151 -7.371 0.923 1.00 0.57 O ATOM 693 CB THR A 46 10.337 -4.622 -0.538 1.00 0.46 C ATOM 694 OG1 THR A 46 11.540 -4.285 -1.237 1.00 1.03 O ATOM 695 CG2 THR A 46 9.365 -3.458 -0.607 1.00 0.66 C ATOM 0 H THR A 46 11.320 -3.063 1.228 1.00 0.35 H new ATOM 0 HA THR A 46 9.715 -5.285 1.423 1.00 0.42 H new ATOM 0 HB THR A 46 9.867 -5.482 -1.015 1.00 0.46 H new ATOM 0 HG1 THR A 46 11.796 -3.364 -1.022 1.00 1.03 H new ATOM 0 HG21 THR A 46 9.174 -3.205 -1.650 1.00 0.66 H new ATOM 0 HG22 THR A 46 8.428 -3.737 -0.124 1.00 0.66 H new ATOM 0 HG23 THR A 46 9.793 -2.595 -0.097 1.00 0.66 H new ATOM 703 N ALA A 47 12.891 -5.947 0.794 1.00 0.58 N ATOM 704 CA ALA A 47 13.903 -6.978 0.601 1.00 0.71 C ATOM 705 C ALA A 47 13.900 -7.992 1.738 1.00 0.76 C ATOM 706 O ALA A 47 14.079 -9.190 1.512 1.00 0.88 O ATOM 707 CB ALA A 47 15.279 -6.346 0.454 1.00 0.78 C ATOM 0 H ALA A 47 13.269 -5.002 0.864 1.00 0.58 H new ATOM 0 HA ALA A 47 13.659 -7.514 -0.316 1.00 0.71 H new ATOM 0 HB1 ALA A 47 16.025 -7.128 0.311 1.00 0.78 H new ATOM 0 HB2 ALA A 47 15.283 -5.678 -0.408 1.00 0.78 H new ATOM 0 HB3 ALA A 47 15.517 -5.778 1.354 1.00 0.78 H new ATOM 713 N GLU A 48 13.675 -7.516 2.956 1.00 0.74 N ATOM 714 CA GLU A 48 13.662 -8.397 4.114 1.00 0.85 C ATOM 715 C GLU A 48 12.461 -9.338 4.042 1.00 0.78 C ATOM 716 O GLU A 48 12.555 -10.512 4.398 1.00 0.94 O ATOM 717 CB GLU A 48 13.637 -7.590 5.414 1.00 0.94 C ATOM 718 CG GLU A 48 13.913 -8.430 6.648 1.00 1.48 C ATOM 719 CD GLU A 48 13.960 -7.606 7.916 1.00 1.79 C ATOM 720 OE1 GLU A 48 12.994 -7.674 8.707 1.00 2.51 O ATOM 721 OE2 GLU A 48 14.951 -6.876 8.115 1.00 1.88 O ATOM 0 H GLU A 48 13.501 -6.533 3.166 1.00 0.74 H new ATOM 0 HA GLU A 48 14.575 -8.992 4.106 1.00 0.85 H new ATOM 0 HB2 GLU A 48 14.378 -6.793 5.353 1.00 0.94 H new ATOM 0 HB3 GLU A 48 12.663 -7.113 5.518 1.00 0.94 H new ATOM 0 HG2 GLU A 48 13.140 -9.193 6.744 1.00 1.48 H new ATOM 0 HG3 GLU A 48 14.862 -8.951 6.523 1.00 1.48 H new ATOM 728 N VAL A 49 11.338 -8.822 3.555 1.00 0.60 N ATOM 729 CA VAL A 49 10.146 -9.638 3.358 1.00 0.55 C ATOM 730 C VAL A 49 10.303 -10.510 2.110 1.00 0.65 C ATOM 731 O VAL A 49 9.781 -11.624 2.044 1.00 0.76 O ATOM 732 CB VAL A 49 8.868 -8.775 3.245 1.00 0.47 C ATOM 733 CG1 VAL A 49 7.642 -9.649 3.074 1.00 0.57 C ATOM 734 CG2 VAL A 49 8.704 -7.902 4.473 1.00 0.59 C ATOM 0 H VAL A 49 11.228 -7.843 3.290 1.00 0.60 H new ATOM 0 HA VAL A 49 10.037 -10.276 4.235 1.00 0.55 H new ATOM 0 HB VAL A 49 8.971 -8.138 2.367 1.00 0.47 H new ATOM 0 HG11 VAL A 49 6.755 -9.020 2.997 1.00 0.57 H new ATOM 0 HG12 VAL A 49 7.744 -10.246 2.168 1.00 0.57 H new ATOM 0 HG13 VAL A 49 7.544 -10.311 3.935 1.00 0.57 H new ATOM 0 HG21 VAL A 49 7.799 -7.302 4.375 1.00 0.59 H new ATOM 0 HG22 VAL A 49 8.628 -8.532 5.359 1.00 0.59 H new ATOM 0 HG23 VAL A 49 9.567 -7.243 4.569 1.00 0.59 H new ATOM 738 N GLU A 50 11.016 -9.988 1.117 1.00 0.70 N ATOM 739 CA GLU A 50 11.300 -10.724 -0.110 1.00 0.91 C ATOM 740 C GLU A 50 12.064 -12.007 0.173 1.00 1.07 C ATOM 741 O GLU A 50 11.684 -13.076 -0.298 1.00 1.22 O ATOM 742 CB GLU A 50 12.083 -9.857 -1.099 1.00 1.03 C ATOM 743 CG GLU A 50 11.203 -9.038 -2.026 1.00 1.14 C ATOM 744 CD GLU A 50 10.390 -9.909 -2.963 1.00 1.46 C ATOM 745 OE1 GLU A 50 9.160 -9.722 -3.048 1.00 1.81 O ATOM 746 OE2 GLU A 50 10.979 -10.797 -3.613 1.00 1.96 O ATOM 0 H GLU A 50 11.411 -9.048 1.139 1.00 0.70 H new ATOM 0 HA GLU A 50 10.341 -10.989 -0.556 1.00 0.91 H new ATOM 0 HB2 GLU A 50 12.733 -9.183 -0.541 1.00 1.03 H new ATOM 0 HB3 GLU A 50 12.728 -10.499 -1.699 1.00 1.03 H new ATOM 0 HG2 GLU A 50 10.530 -8.419 -1.432 1.00 1.14 H new ATOM 0 HG3 GLU A 50 11.826 -8.361 -2.611 1.00 1.14 H new ATOM 753 N GLN A 51 13.121 -11.904 0.965 1.00 1.10 N ATOM 754 CA GLN A 51 13.974 -13.055 1.234 1.00 1.31 C ATOM 755 C GLN A 51 13.268 -14.102 2.107 1.00 1.39 C ATOM 756 O GLN A 51 13.646 -15.276 2.102 1.00 1.61 O ATOM 757 CB GLN A 51 15.306 -12.611 1.860 1.00 1.34 C ATOM 758 CG GLN A 51 15.186 -11.866 3.182 1.00 1.24 C ATOM 759 CD GLN A 51 15.124 -12.787 4.384 1.00 1.70 C ATOM 760 OE1 GLN A 51 15.682 -13.882 4.371 1.00 2.25 O ATOM 761 NE2 GLN A 51 14.445 -12.351 5.427 1.00 2.01 N ATOM 0 H GLN A 51 13.408 -11.043 1.430 1.00 1.10 H new ATOM 0 HA GLN A 51 14.190 -13.534 0.279 1.00 1.31 H new ATOM 0 HB2 GLN A 51 15.928 -13.493 2.014 1.00 1.34 H new ATOM 0 HB3 GLN A 51 15.828 -11.972 1.148 1.00 1.34 H new ATOM 0 HG2 GLN A 51 16.037 -11.194 3.291 1.00 1.24 H new ATOM 0 HG3 GLN A 51 14.290 -11.245 3.162 1.00 1.24 H new ATOM 0 HE21 GLN A 51 13.996 -11.435 5.397 1.00 2.01 H new ATOM 0 HE22 GLN A 51 14.368 -12.929 6.264 1.00 2.01 H new ATOM 770 N ASN A 52 12.239 -13.685 2.844 1.00 1.22 N ATOM 771 CA ASN A 52 11.505 -14.609 3.713 1.00 1.34 C ATOM 772 C ASN A 52 10.238 -15.138 3.045 1.00 1.34 C ATOM 773 O ASN A 52 9.763 -16.228 3.362 1.00 1.53 O ATOM 774 CB ASN A 52 11.146 -13.941 5.045 1.00 1.26 C ATOM 775 CG ASN A 52 12.071 -14.357 6.175 1.00 1.72 C ATOM 776 OD1 ASN A 52 12.596 -15.471 6.189 1.00 2.34 O ATOM 777 ND2 ASN A 52 12.277 -13.465 7.133 1.00 2.03 N ATOM 0 H ASN A 52 11.896 -12.724 2.859 1.00 1.22 H new ATOM 0 HA ASN A 52 12.166 -15.454 3.903 1.00 1.34 H new ATOM 0 HB2 ASN A 52 11.187 -12.858 4.927 1.00 1.26 H new ATOM 0 HB3 ASN A 52 10.119 -14.194 5.309 1.00 1.26 H new ATOM 0 HD21 ASN A 52 12.889 -13.691 7.917 1.00 2.03 H new ATOM 0 HD22 ASN A 52 11.824 -12.552 7.086 1.00 2.03 H new ATOM 784 N GLY A 53 9.705 -14.361 2.110 1.00 1.22 N ATOM 785 CA GLY A 53 8.542 -14.784 1.348 1.00 1.33 C ATOM 786 C GLY A 53 7.240 -14.686 2.125 1.00 0.94 C ATOM 787 O GLY A 53 6.427 -15.605 2.100 1.00 1.13 O ATOM 0 H GLY A 53 10.060 -13.437 1.863 1.00 1.22 H new ATOM 0 HA2 GLY A 53 8.466 -14.174 0.448 1.00 1.33 H new ATOM 0 HA3 GLY A 53 8.685 -15.815 1.023 1.00 1.33 H new ATOM 791 N GLY A 54 7.035 -13.569 2.811 1.00 0.62 N ATOM 792 CA GLY A 54 5.836 -13.405 3.607 1.00 0.72 C ATOM 793 C GLY A 54 4.774 -12.530 2.971 1.00 0.50 C ATOM 794 O GLY A 54 5.066 -11.424 2.514 1.00 0.89 O ATOM 0 H GLY A 54 7.676 -12.776 2.830 1.00 0.62 H new ATOM 0 HA2 GLY A 54 5.409 -14.388 3.804 1.00 0.72 H new ATOM 0 HA3 GLY A 54 6.111 -12.978 4.571 1.00 0.72 H new ATOM 798 N LEU A 55 3.544 -13.046 2.917 1.00 0.68 N ATOM 799 CA LEU A 55 2.370 -12.228 2.619 1.00 0.60 C ATOM 800 C LEU A 55 1.080 -13.027 2.697 1.00 0.60 C ATOM 801 O LEU A 55 0.944 -14.081 2.077 1.00 0.63 O ATOM 802 CB LEU A 55 2.412 -11.566 1.235 1.00 0.64 C ATOM 803 CG LEU A 55 1.190 -10.686 0.962 1.00 0.65 C ATOM 804 CD1 LEU A 55 1.126 -9.563 1.975 1.00 1.38 C ATOM 805 CD2 LEU A 55 1.194 -10.118 -0.440 1.00 1.19 C ATOM 0 H LEU A 55 3.336 -14.032 3.077 1.00 0.68 H new ATOM 0 HA LEU A 55 2.392 -11.453 3.385 1.00 0.60 H new ATOM 0 HB2 LEU A 55 3.315 -10.961 1.154 1.00 0.64 H new ATOM 0 HB3 LEU A 55 2.476 -12.339 0.469 1.00 0.64 H new ATOM 0 HG LEU A 55 0.306 -11.318 1.054 1.00 0.65 H new ATOM 0 HD11 LEU A 55 0.254 -8.941 1.774 1.00 1.38 H new ATOM 0 HD12 LEU A 55 1.050 -9.982 2.978 1.00 1.38 H new ATOM 0 HD13 LEU A 55 2.029 -8.956 1.903 1.00 1.38 H new ATOM 0 HD21 LEU A 55 0.307 -9.501 -0.585 1.00 1.19 H new ATOM 0 HD22 LEU A 55 2.087 -9.510 -0.584 1.00 1.19 H new ATOM 0 HD23 LEU A 55 1.191 -10.934 -1.163 1.00 1.19 H new ATOM 817 N PHE A 56 0.140 -12.507 3.464 1.00 0.62 N ATOM 818 CA PHE A 56 -1.249 -12.909 3.367 1.00 0.66 C ATOM 819 C PHE A 56 -2.064 -11.668 3.044 1.00 0.63 C ATOM 820 O PHE A 56 -2.183 -10.768 3.870 1.00 0.71 O ATOM 821 CB PHE A 56 -1.739 -13.562 4.662 1.00 0.78 C ATOM 822 CG PHE A 56 -0.997 -14.819 5.012 1.00 1.13 C ATOM 823 CD1 PHE A 56 -0.108 -14.840 6.074 1.00 2.02 C ATOM 824 CD2 PHE A 56 -1.188 -15.977 4.279 1.00 1.07 C ATOM 825 CE1 PHE A 56 0.574 -15.996 6.403 1.00 2.87 C ATOM 826 CE2 PHE A 56 -0.510 -17.136 4.601 1.00 1.81 C ATOM 827 CZ PHE A 56 0.380 -17.143 5.658 1.00 2.74 C ATOM 0 H PHE A 56 0.319 -11.794 4.171 1.00 0.62 H new ATOM 0 HA PHE A 56 -1.363 -13.657 2.582 1.00 0.66 H new ATOM 0 HB2 PHE A 56 -1.638 -12.849 5.481 1.00 0.78 H new ATOM 0 HB3 PHE A 56 -2.801 -13.790 4.567 1.00 0.78 H new ATOM 0 HD1 PHE A 56 0.054 -13.942 6.652 1.00 2.02 H new ATOM 0 HD2 PHE A 56 -1.875 -15.974 3.446 1.00 1.07 H new ATOM 0 HE1 PHE A 56 1.257 -16.003 7.240 1.00 2.87 H new ATOM 0 HE2 PHE A 56 -0.675 -18.036 4.027 1.00 1.81 H new ATOM 0 HZ PHE A 56 0.923 -18.044 5.901 1.00 2.74 H new ATOM 837 N ILE A 57 -2.567 -11.595 1.821 1.00 0.57 N ATOM 838 CA ILE A 57 -3.257 -10.401 1.352 1.00 0.53 C ATOM 839 C ILE A 57 -4.701 -10.353 1.834 1.00 0.58 C ATOM 840 O ILE A 57 -5.126 -11.210 2.612 1.00 0.68 O ATOM 841 CB ILE A 57 -3.214 -10.275 -0.184 1.00 0.51 C ATOM 842 CG1 ILE A 57 -3.069 -11.645 -0.834 1.00 0.53 C ATOM 843 CG2 ILE A 57 -2.088 -9.350 -0.625 1.00 0.52 C ATOM 844 CD1 ILE A 57 -3.070 -11.587 -2.338 1.00 0.61 C ATOM 0 H ILE A 57 -2.511 -12.348 1.135 1.00 0.57 H new ATOM 0 HA ILE A 57 -2.722 -9.554 1.781 1.00 0.53 H new ATOM 0 HB ILE A 57 -4.158 -9.838 -0.511 1.00 0.51 H new ATOM 0 HG12 ILE A 57 -2.141 -12.105 -0.495 1.00 0.53 H new ATOM 0 HG13 ILE A 57 -3.884 -12.287 -0.500 1.00 0.53 H new ATOM 0 HG21 ILE A 57 -2.080 -9.279 -1.713 1.00 0.52 H new ATOM 0 HG22 ILE A 57 -2.243 -8.359 -0.198 1.00 0.52 H new ATOM 0 HG23 ILE A 57 -1.134 -9.749 -0.281 1.00 0.52 H new ATOM 0 HD11 ILE A 57 -2.964 -12.594 -2.741 1.00 0.61 H new ATOM 0 HD12 ILE A 57 -4.009 -11.155 -2.685 1.00 0.61 H new ATOM 0 HD13 ILE A 57 -2.239 -10.970 -2.679 1.00 0.61 H new ATOM 851 N MET A 58 -5.450 -9.355 1.375 1.00 0.56 N ATOM 852 CA MET A 58 -6.799 -9.117 1.875 1.00 0.61 C ATOM 853 C MET A 58 -7.704 -10.345 1.740 1.00 0.70 C ATOM 854 O MET A 58 -8.559 -10.576 2.596 1.00 0.79 O ATOM 855 CB MET A 58 -7.456 -7.895 1.212 1.00 0.75 C ATOM 856 CG MET A 58 -7.111 -7.644 -0.255 1.00 0.60 C ATOM 857 SD MET A 58 -8.516 -6.891 -1.127 1.00 0.77 S ATOM 858 CE MET A 58 -7.840 -6.498 -2.741 1.00 0.91 C ATOM 0 H MET A 58 -5.145 -8.698 0.657 1.00 0.56 H new ATOM 0 HA MET A 58 -6.684 -8.907 2.938 1.00 0.61 H new ATOM 0 HB2 MET A 58 -8.537 -8.004 1.294 1.00 0.75 H new ATOM 0 HB3 MET A 58 -7.181 -7.008 1.783 1.00 0.75 H new ATOM 0 HG2 MET A 58 -6.242 -6.989 -0.322 1.00 0.60 H new ATOM 0 HG3 MET A 58 -6.840 -8.584 -0.736 1.00 0.60 H new ATOM 0 HE1 MET A 58 -8.612 -6.034 -3.355 1.00 0.91 H new ATOM 0 HE2 MET A 58 -7.004 -5.808 -2.627 1.00 0.91 H new ATOM 0 HE3 MET A 58 -7.493 -7.412 -3.223 1.00 0.91 H new ATOM 868 N ASN A 59 -7.512 -11.146 0.694 1.00 0.78 N ATOM 869 CA ASN A 59 -8.371 -12.313 0.494 1.00 0.98 C ATOM 870 C ASN A 59 -7.821 -13.562 1.191 1.00 0.95 C ATOM 871 O ASN A 59 -8.584 -14.380 1.703 1.00 1.12 O ATOM 872 CB ASN A 59 -8.610 -12.603 -1.006 1.00 1.17 C ATOM 873 CG ASN A 59 -7.336 -12.820 -1.821 1.00 1.50 C ATOM 874 OD1 ASN A 59 -6.289 -13.181 -1.304 1.00 2.28 O ATOM 875 ND2 ASN A 59 -7.423 -12.619 -3.118 1.00 1.66 N ATOM 0 H ASN A 59 -6.788 -11.015 -0.013 1.00 0.78 H new ATOM 0 HA ASN A 59 -9.329 -12.065 0.952 1.00 0.98 H new ATOM 0 HB2 ASN A 59 -9.239 -13.489 -1.096 1.00 1.17 H new ATOM 0 HB3 ASN A 59 -9.166 -11.772 -1.439 1.00 1.17 H new ATOM 0 HD21 ASN A 59 -6.607 -12.764 -3.712 1.00 1.66 H new ATOM 0 HD22 ASN A 59 -8.306 -12.318 -3.529 1.00 1.66 H new ATOM 882 N GLY A 60 -6.499 -13.708 1.197 1.00 0.86 N ATOM 883 CA GLY A 60 -5.873 -14.898 1.747 1.00 0.96 C ATOM 884 C GLY A 60 -5.851 -16.038 0.742 1.00 1.09 C ATOM 885 O GLY A 60 -5.120 -17.015 0.914 1.00 1.21 O ATOM 0 H GLY A 60 -5.846 -13.017 0.828 1.00 0.86 H new ATOM 0 HA2 GLY A 60 -4.854 -14.664 2.054 1.00 0.96 H new ATOM 0 HA3 GLY A 60 -6.411 -15.212 2.641 1.00 0.96 H new ATOM 889 N SER A 61 -6.656 -15.894 -0.310 1.00 1.15 N ATOM 890 CA SER A 61 -6.793 -16.915 -1.341 1.00 1.32 C ATOM 891 C SER A 61 -5.555 -16.973 -2.215 1.00 1.22 C ATOM 892 O SER A 61 -4.880 -18.000 -2.302 1.00 1.35 O ATOM 893 CB SER A 61 -8.014 -16.603 -2.197 1.00 1.51 C ATOM 894 OG SER A 61 -9.198 -16.628 -1.417 1.00 2.18 O ATOM 0 H SER A 61 -7.230 -15.066 -0.469 1.00 1.15 H new ATOM 0 HA SER A 61 -6.915 -17.885 -0.859 1.00 1.32 H new ATOM 0 HB2 SER A 61 -7.899 -15.622 -2.659 1.00 1.51 H new ATOM 0 HB3 SER A 61 -8.091 -17.329 -3.006 1.00 1.51 H new ATOM 0 HG SER A 61 -9.969 -16.423 -1.986 1.00 2.18 H new ATOM 900 N ARG A 62 -5.258 -15.861 -2.856 1.00 1.08 N ATOM 901 CA ARG A 62 -3.978 -15.693 -3.490 1.00 1.05 C ATOM 902 C ARG A 62 -3.039 -15.196 -2.420 1.00 1.03 C ATOM 903 O ARG A 62 -3.466 -14.488 -1.512 1.00 1.46 O ATOM 904 CB ARG A 62 -4.060 -14.698 -4.652 1.00 1.14 C ATOM 905 CG ARG A 62 -2.726 -14.470 -5.341 1.00 1.69 C ATOM 906 CD ARG A 62 -2.848 -13.497 -6.499 1.00 1.79 C ATOM 907 NE ARG A 62 -1.544 -13.145 -7.058 1.00 2.06 N ATOM 908 CZ ARG A 62 -1.349 -12.138 -7.907 1.00 2.25 C ATOM 909 NH1 ARG A 62 -2.386 -11.482 -8.412 1.00 2.23 N ATOM 910 NH2 ARG A 62 -0.121 -11.815 -8.294 1.00 2.89 N ATOM 0 H ARG A 62 -5.888 -15.064 -2.948 1.00 1.08 H new ATOM 0 HA ARG A 62 -3.628 -16.633 -3.917 1.00 1.05 H new ATOM 0 HB2 ARG A 62 -4.781 -15.062 -5.383 1.00 1.14 H new ATOM 0 HB3 ARG A 62 -4.437 -13.745 -4.280 1.00 1.14 H new ATOM 0 HG2 ARG A 62 -2.005 -14.087 -4.619 1.00 1.69 H new ATOM 0 HG3 ARG A 62 -2.338 -15.421 -5.705 1.00 1.69 H new ATOM 0 HD2 ARG A 62 -3.470 -13.937 -7.279 1.00 1.79 H new ATOM 0 HD3 ARG A 62 -3.354 -12.593 -6.161 1.00 1.79 H new ATOM 0 HE ARG A 62 -0.736 -13.703 -6.782 1.00 2.06 H new ATOM 0 HH11 ARG A 62 -3.335 -11.749 -8.150 1.00 2.23 H new ATOM 0 HH12 ARG A 62 -2.234 -10.711 -9.062 1.00 2.23 H new ATOM 0 HH21 ARG A 62 0.679 -12.339 -7.941 1.00 2.89 H new ATOM 0 HH22 ARG A 62 0.022 -11.043 -8.945 1.00 2.89 H new ATOM 924 N ARG A 63 -1.791 -15.582 -2.468 1.00 0.89 N ATOM 925 CA ARG A 63 -0.883 -15.164 -1.433 1.00 0.87 C ATOM 926 C ARG A 63 0.401 -14.634 -2.032 1.00 0.75 C ATOM 927 O ARG A 63 0.982 -15.260 -2.918 1.00 0.75 O ATOM 928 CB ARG A 63 -0.589 -16.319 -0.472 1.00 0.98 C ATOM 929 CG ARG A 63 -1.832 -16.886 0.196 1.00 1.56 C ATOM 930 CD ARG A 63 -1.486 -17.985 1.180 1.00 1.54 C ATOM 931 NE ARG A 63 -2.674 -18.559 1.810 1.00 2.34 N ATOM 932 CZ ARG A 63 -2.717 -19.777 2.353 1.00 2.60 C ATOM 933 NH1 ARG A 63 -1.681 -20.605 2.234 1.00 2.07 N ATOM 934 NH2 ARG A 63 -3.808 -20.177 2.993 1.00 3.59 N ATOM 0 H ARG A 63 -1.387 -16.172 -3.195 1.00 0.89 H new ATOM 0 HA ARG A 63 -1.357 -14.361 -0.869 1.00 0.87 H new ATOM 0 HB2 ARG A 63 -0.085 -17.116 -1.018 1.00 0.98 H new ATOM 0 HB3 ARG A 63 0.101 -15.974 0.297 1.00 0.98 H new ATOM 0 HG2 ARG A 63 -2.363 -16.088 0.714 1.00 1.56 H new ATOM 0 HG3 ARG A 63 -2.508 -17.278 -0.564 1.00 1.56 H new ATOM 0 HD2 ARG A 63 -0.935 -18.771 0.664 1.00 1.54 H new ATOM 0 HD3 ARG A 63 -0.826 -17.586 1.950 1.00 1.54 H new ATOM 0 HE ARG A 63 -3.522 -17.993 1.836 1.00 2.34 H new ATOM 0 HH11 ARG A 63 -0.848 -20.309 1.725 1.00 2.07 H new ATOM 0 HH12 ARG A 63 -1.721 -21.535 2.652 1.00 2.07 H new ATOM 0 HH21 ARG A 63 -4.612 -19.554 3.069 1.00 3.59 H new ATOM 0 HH22 ARG A 63 -3.843 -21.108 3.409 1.00 3.59 H new ATOM 948 N ARG A 64 0.809 -13.460 -1.560 1.00 0.70 N ATOM 949 CA ARG A 64 2.100 -12.880 -1.911 1.00 0.62 C ATOM 950 C ARG A 64 2.155 -12.421 -3.372 1.00 0.57 C ATOM 951 O ARG A 64 2.534 -13.166 -4.274 1.00 0.77 O ATOM 952 CB ARG A 64 3.205 -13.879 -1.595 1.00 0.71 C ATOM 953 CG ARG A 64 4.579 -13.432 -1.995 1.00 0.77 C ATOM 954 CD ARG A 64 5.118 -12.368 -1.074 1.00 0.75 C ATOM 955 NE ARG A 64 6.525 -12.156 -1.372 1.00 1.06 N ATOM 956 CZ ARG A 64 7.464 -11.887 -0.489 1.00 1.34 C ATOM 957 NH1 ARG A 64 7.161 -11.645 0.771 1.00 1.98 N ATOM 958 NH2 ARG A 64 8.719 -11.833 -0.882 1.00 1.56 N ATOM 0 H ARG A 64 0.255 -12.885 -0.925 1.00 0.70 H new ATOM 0 HA ARG A 64 2.247 -11.983 -1.310 1.00 0.62 H new ATOM 0 HB2 ARG A 64 3.200 -14.081 -0.524 1.00 0.71 H new ATOM 0 HB3 ARG A 64 2.982 -14.820 -2.098 1.00 0.71 H new ATOM 0 HG2 ARG A 64 5.253 -14.288 -1.993 1.00 0.77 H new ATOM 0 HG3 ARG A 64 4.553 -13.049 -3.015 1.00 0.77 H new ATOM 0 HD2 ARG A 64 4.561 -11.440 -1.204 1.00 0.75 H new ATOM 0 HD3 ARG A 64 4.994 -12.671 -0.034 1.00 0.75 H new ATOM 0 HE ARG A 64 6.809 -12.221 -2.349 1.00 1.06 H new ATOM 0 HH11 ARG A 64 6.187 -11.665 1.074 1.00 1.98 H new ATOM 0 HH12 ARG A 64 7.900 -11.438 1.443 1.00 1.98 H new ATOM 0 HH21 ARG A 64 8.955 -11.999 -1.861 1.00 1.56 H new ATOM 0 HH22 ARG A 64 9.456 -11.626 -0.208 1.00 1.56 H new ATOM 972 N THR A 65 1.740 -11.184 -3.581 1.00 0.44 N ATOM 973 CA THR A 65 1.870 -10.512 -4.864 1.00 0.40 C ATOM 974 C THR A 65 2.916 -9.397 -4.742 1.00 0.35 C ATOM 975 O THR A 65 3.031 -8.810 -3.677 1.00 0.33 O ATOM 976 CB THR A 65 0.499 -9.938 -5.306 1.00 0.40 C ATOM 977 OG1 THR A 65 0.648 -9.018 -6.396 1.00 0.41 O ATOM 978 CG2 THR A 65 -0.204 -9.253 -4.139 1.00 0.40 C ATOM 0 H THR A 65 1.300 -10.612 -2.860 1.00 0.44 H new ATOM 0 HA THR A 65 2.197 -11.224 -5.622 1.00 0.40 H new ATOM 0 HB THR A 65 -0.113 -10.775 -5.643 1.00 0.40 H new ATOM 0 HG1 THR A 65 -0.232 -8.673 -6.655 1.00 0.41 H new ATOM 0 HG21 THR A 65 -1.163 -8.858 -4.473 1.00 0.40 H new ATOM 0 HG22 THR A 65 -0.367 -9.975 -3.339 1.00 0.40 H new ATOM 0 HG23 THR A 65 0.416 -8.436 -3.770 1.00 0.40 H new ATOM 986 N PRO A 66 3.680 -9.090 -5.814 1.00 0.36 N ATOM 987 CA PRO A 66 4.773 -8.083 -5.793 1.00 0.35 C ATOM 988 C PRO A 66 4.386 -6.791 -5.094 1.00 0.27 C ATOM 989 O PRO A 66 5.011 -6.410 -4.102 1.00 0.26 O ATOM 990 CB PRO A 66 5.027 -7.819 -7.290 1.00 0.42 C ATOM 991 CG PRO A 66 3.882 -8.477 -7.992 1.00 0.44 C ATOM 992 CD PRO A 66 3.544 -9.663 -7.150 1.00 0.43 C ATOM 0 HA PRO A 66 5.640 -8.445 -5.241 1.00 0.35 H new ATOM 0 HB2 PRO A 66 5.061 -6.751 -7.503 1.00 0.42 H new ATOM 0 HB3 PRO A 66 5.981 -8.238 -7.610 1.00 0.42 H new ATOM 0 HG2 PRO A 66 3.032 -7.801 -8.081 1.00 0.44 H new ATOM 0 HG3 PRO A 66 4.158 -8.776 -9.003 1.00 0.44 H new ATOM 0 HD2 PRO A 66 2.537 -10.033 -7.341 1.00 0.43 H new ATOM 0 HD3 PRO A 66 4.227 -10.496 -7.315 1.00 0.43 H new ATOM 1000 N GLY A 67 3.347 -6.133 -5.586 1.00 0.25 N ATOM 1001 CA GLY A 67 2.870 -4.936 -4.932 1.00 0.21 C ATOM 1002 C GLY A 67 2.369 -5.254 -3.547 1.00 0.20 C ATOM 1003 O GLY A 67 2.675 -4.558 -2.584 1.00 0.23 O ATOM 0 H GLY A 67 2.829 -6.406 -6.422 1.00 0.25 H new ATOM 0 HA2 GLY A 67 3.673 -4.201 -4.875 1.00 0.21 H new ATOM 0 HA3 GLY A 67 2.069 -4.488 -5.520 1.00 0.21 H new ATOM 1007 N GLY A 68 1.647 -6.361 -3.461 1.00 0.23 N ATOM 1008 CA GLY A 68 1.071 -6.816 -2.212 1.00 0.28 C ATOM 1009 C GLY A 68 2.098 -7.010 -1.109 1.00 0.27 C ATOM 1010 O GLY A 68 1.775 -6.888 0.070 1.00 0.30 O ATOM 0 H GLY A 68 1.446 -6.967 -4.257 1.00 0.23 H new ATOM 0 HA2 GLY A 68 0.325 -6.094 -1.880 1.00 0.28 H new ATOM 0 HA3 GLY A 68 0.550 -7.758 -2.383 1.00 0.28 H new ATOM 1014 N VAL A 69 3.329 -7.333 -1.485 1.00 0.27 N ATOM 1015 CA VAL A 69 4.394 -7.531 -0.513 1.00 0.27 C ATOM 1016 C VAL A 69 4.737 -6.211 0.159 1.00 0.24 C ATOM 1017 O VAL A 69 5.038 -6.162 1.350 1.00 0.23 O ATOM 1018 CB VAL A 69 5.661 -8.112 -1.161 1.00 0.31 C ATOM 1019 CG1 VAL A 69 6.677 -8.472 -0.108 1.00 0.64 C ATOM 1020 CG2 VAL A 69 5.334 -9.339 -1.968 1.00 0.74 C ATOM 0 H VAL A 69 3.613 -7.463 -2.456 1.00 0.27 H new ATOM 0 HA VAL A 69 4.031 -8.246 0.226 1.00 0.27 H new ATOM 0 HB VAL A 69 6.075 -7.349 -1.820 1.00 0.31 H new ATOM 0 HG11 VAL A 69 7.567 -8.882 -0.586 1.00 0.64 H new ATOM 0 HG12 VAL A 69 6.947 -7.580 0.457 1.00 0.64 H new ATOM 0 HG13 VAL A 69 6.253 -9.215 0.567 1.00 0.64 H new ATOM 0 HG21 VAL A 69 6.246 -9.733 -2.417 1.00 0.74 H new ATOM 0 HG22 VAL A 69 4.894 -10.095 -1.318 1.00 0.74 H new ATOM 0 HG23 VAL A 69 4.625 -9.079 -2.754 1.00 0.74 H new ATOM 1024 N PHE A 70 4.686 -5.143 -0.614 1.00 0.22 N ATOM 1025 CA PHE A 70 4.819 -3.813 -0.062 1.00 0.20 C ATOM 1026 C PHE A 70 3.620 -3.513 0.836 1.00 0.20 C ATOM 1027 O PHE A 70 3.758 -2.863 1.867 1.00 0.20 O ATOM 1028 CB PHE A 70 4.943 -2.774 -1.178 1.00 0.22 C ATOM 1029 CG PHE A 70 4.876 -1.350 -0.701 1.00 0.20 C ATOM 1030 CD1 PHE A 70 3.672 -0.774 -0.328 1.00 0.23 C ATOM 1031 CD2 PHE A 70 6.028 -0.586 -0.638 1.00 0.21 C ATOM 1032 CE1 PHE A 70 3.626 0.537 0.098 1.00 0.26 C ATOM 1033 CE2 PHE A 70 5.991 0.718 -0.219 1.00 0.24 C ATOM 1034 CZ PHE A 70 4.721 1.264 0.211 1.00 0.25 C ATOM 0 H PHE A 70 4.553 -5.173 -1.625 1.00 0.22 H new ATOM 0 HA PHE A 70 5.729 -3.763 0.536 1.00 0.20 H new ATOM 0 HB2 PHE A 70 5.888 -2.927 -1.699 1.00 0.22 H new ATOM 0 HB3 PHE A 70 4.148 -2.940 -1.905 1.00 0.22 H new ATOM 0 HD1 PHE A 70 2.763 -1.356 -0.371 1.00 0.23 H new ATOM 0 HD2 PHE A 70 6.972 -1.025 -0.924 1.00 0.21 H new ATOM 0 HE1 PHE A 70 2.672 0.978 0.345 1.00 0.26 H new ATOM 0 HE2 PHE A 70 6.886 1.323 -0.210 1.00 0.24 H new ATOM 0 HZ PHE A 70 4.670 2.261 0.622 1.00 0.25 H new ATOM 1044 N LEU A 71 2.436 -3.981 0.439 1.00 0.21 N ATOM 1045 CA LEU A 71 1.245 -3.814 1.274 1.00 0.24 C ATOM 1046 C LEU A 71 1.514 -4.469 2.624 1.00 0.24 C ATOM 1047 O LEU A 71 1.079 -3.987 3.672 1.00 0.26 O ATOM 1048 CB LEU A 71 -0.028 -4.461 0.676 1.00 0.31 C ATOM 1049 CG LEU A 71 -0.575 -3.977 -0.686 1.00 0.28 C ATOM 1050 CD1 LEU A 71 -1.842 -3.183 -0.510 1.00 0.32 C ATOM 1051 CD2 LEU A 71 0.419 -3.143 -1.448 1.00 0.30 C ATOM 0 H LEU A 71 2.276 -4.471 -0.441 1.00 0.21 H new ATOM 0 HA LEU A 71 1.058 -2.743 1.353 1.00 0.24 H new ATOM 0 HB2 LEU A 71 0.163 -5.530 0.587 1.00 0.31 H new ATOM 0 HB3 LEU A 71 -0.827 -4.340 1.407 1.00 0.31 H new ATOM 0 HG LEU A 71 -0.778 -4.879 -1.263 1.00 0.28 H new ATOM 0 HD11 LEU A 71 -2.204 -2.855 -1.484 1.00 0.32 H new ATOM 0 HD12 LEU A 71 -2.598 -3.806 -0.032 1.00 0.32 H new ATOM 0 HD13 LEU A 71 -1.642 -2.312 0.114 1.00 0.32 H new ATOM 0 HD21 LEU A 71 -0.019 -2.831 -2.396 1.00 0.30 H new ATOM 0 HD22 LEU A 71 0.680 -2.262 -0.862 1.00 0.30 H new ATOM 0 HD23 LEU A 71 1.317 -3.731 -1.639 1.00 0.30 H new ATOM 1063 N ASN A 72 2.235 -5.591 2.576 1.00 0.24 N ATOM 1064 CA ASN A 72 2.638 -6.324 3.773 1.00 0.27 C ATOM 1065 C ASN A 72 3.499 -5.442 4.668 1.00 0.26 C ATOM 1066 O ASN A 72 3.472 -5.555 5.887 1.00 0.34 O ATOM 1067 CB ASN A 72 3.426 -7.588 3.399 1.00 0.31 C ATOM 1068 CG ASN A 72 3.655 -8.493 4.592 1.00 0.46 C ATOM 1069 OD1 ASN A 72 2.816 -8.588 5.484 1.00 1.08 O ATOM 1070 ND2 ASN A 72 4.793 -9.159 4.613 1.00 0.67 N ATOM 0 H ASN A 72 2.555 -6.015 1.705 1.00 0.24 H new ATOM 0 HA ASN A 72 1.734 -6.614 4.309 1.00 0.27 H new ATOM 0 HB2 ASN A 72 2.885 -8.136 2.628 1.00 0.31 H new ATOM 0 HB3 ASN A 72 4.387 -7.302 2.972 1.00 0.31 H new ATOM 0 HD21 ASN A 72 5.004 -9.783 5.392 1.00 0.67 H new ATOM 0 HD22 ASN A 72 5.462 -9.050 3.851 1.00 0.67 H new ATOM 1077 N LEU A 73 4.238 -4.541 4.048 1.00 0.23 N ATOM 1078 CA LEU A 73 5.126 -3.646 4.772 1.00 0.25 C ATOM 1079 C LEU A 73 4.376 -2.772 5.747 1.00 0.36 C ATOM 1080 O LEU A 73 4.846 -2.532 6.842 1.00 0.46 O ATOM 1081 CB LEU A 73 5.899 -2.765 3.812 1.00 0.23 C ATOM 1082 CG LEU A 73 6.960 -3.494 3.022 1.00 0.20 C ATOM 1083 CD1 LEU A 73 7.702 -2.532 2.124 1.00 0.35 C ATOM 1084 CD2 LEU A 73 7.894 -4.186 3.988 1.00 0.27 C ATOM 0 H LEU A 73 4.241 -4.408 3.037 1.00 0.23 H new ATOM 0 HA LEU A 73 5.816 -4.276 5.333 1.00 0.25 H new ATOM 0 HB2 LEU A 73 5.199 -2.302 3.117 1.00 0.23 H new ATOM 0 HB3 LEU A 73 6.370 -1.959 4.375 1.00 0.23 H new ATOM 0 HG LEU A 73 6.499 -4.244 2.379 1.00 0.20 H new ATOM 0 HD11 LEU A 73 8.463 -3.073 1.562 1.00 0.35 H new ATOM 0 HD12 LEU A 73 7.001 -2.067 1.431 1.00 0.35 H new ATOM 0 HD13 LEU A 73 8.178 -1.762 2.731 1.00 0.35 H new ATOM 0 HD21 LEU A 73 8.666 -4.717 3.431 1.00 0.27 H new ATOM 0 HD22 LEU A 73 8.360 -3.445 4.637 1.00 0.27 H new ATOM 0 HD23 LEU A 73 7.331 -4.896 4.594 1.00 0.27 H new ATOM 1096 N LEU A 74 3.210 -2.297 5.350 1.00 0.41 N ATOM 1097 CA LEU A 74 2.431 -1.414 6.205 1.00 0.58 C ATOM 1098 C LEU A 74 2.127 -2.085 7.546 1.00 0.66 C ATOM 1099 O LEU A 74 2.128 -1.444 8.586 1.00 0.80 O ATOM 1100 CB LEU A 74 1.129 -0.984 5.511 1.00 0.63 C ATOM 1101 CG LEU A 74 1.275 0.053 4.386 1.00 0.49 C ATOM 1102 CD1 LEU A 74 1.991 -0.535 3.181 1.00 1.08 C ATOM 1103 CD2 LEU A 74 -0.089 0.593 3.976 1.00 0.78 C ATOM 0 H LEU A 74 2.782 -2.505 4.448 1.00 0.41 H new ATOM 0 HA LEU A 74 3.027 -0.521 6.395 1.00 0.58 H new ATOM 0 HB2 LEU A 74 0.650 -1.872 5.099 1.00 0.63 H new ATOM 0 HB3 LEU A 74 0.455 -0.579 6.266 1.00 0.63 H new ATOM 0 HG LEU A 74 1.879 0.875 4.770 1.00 0.49 H new ATOM 0 HD11 LEU A 74 2.078 0.224 2.403 1.00 1.08 H new ATOM 0 HD12 LEU A 74 2.986 -0.868 3.476 1.00 1.08 H new ATOM 0 HD13 LEU A 74 1.423 -1.383 2.798 1.00 1.08 H new ATOM 0 HD21 LEU A 74 0.034 1.326 3.179 1.00 0.78 H new ATOM 0 HD22 LEU A 74 -0.713 -0.227 3.622 1.00 0.78 H new ATOM 0 HD23 LEU A 74 -0.565 1.067 4.834 1.00 0.78 H new ATOM 1115 N LYS A 75 1.919 -3.391 7.523 1.00 0.66 N ATOM 1116 CA LYS A 75 1.561 -4.121 8.733 1.00 0.82 C ATOM 1117 C LYS A 75 2.808 -4.698 9.410 1.00 0.77 C ATOM 1118 O LYS A 75 2.725 -5.260 10.501 1.00 0.95 O ATOM 1119 CB LYS A 75 0.587 -5.249 8.385 1.00 1.04 C ATOM 1120 CG LYS A 75 1.241 -6.355 7.580 1.00 0.81 C ATOM 1121 CD LYS A 75 0.277 -7.052 6.635 1.00 0.71 C ATOM 1122 CE LYS A 75 -0.173 -6.117 5.528 1.00 0.70 C ATOM 1123 NZ LYS A 75 -1.339 -5.294 5.937 1.00 1.93 N ATOM 0 H LYS A 75 1.991 -3.968 6.685 1.00 0.66 H new ATOM 0 HA LYS A 75 1.084 -3.430 9.427 1.00 0.82 H new ATOM 0 HB2 LYS A 75 0.177 -5.667 9.304 1.00 1.04 H new ATOM 0 HB3 LYS A 75 -0.251 -4.840 7.820 1.00 1.04 H new ATOM 0 HG2 LYS A 75 2.067 -5.938 7.004 1.00 0.81 H new ATOM 0 HG3 LYS A 75 1.667 -7.090 8.263 1.00 0.81 H new ATOM 0 HD2 LYS A 75 0.758 -7.929 6.202 1.00 0.71 H new ATOM 0 HD3 LYS A 75 -0.591 -7.406 7.191 1.00 0.71 H new ATOM 0 HE2 LYS A 75 0.653 -5.463 5.248 1.00 0.70 H new ATOM 0 HE3 LYS A 75 -0.432 -6.700 4.644 1.00 0.70 H new ATOM 0 HZ1 LYS A 75 -2.183 -5.604 5.414 1.00 1.93 H new ATOM 0 HZ2 LYS A 75 -1.503 -5.407 6.958 1.00 1.93 H new ATOM 0 HZ3 LYS A 75 -1.149 -4.294 5.726 1.00 1.93 H new ATOM 1137 N ASN A 76 3.956 -4.562 8.754 1.00 0.64 N ATOM 1138 CA ASN A 76 5.188 -5.183 9.235 1.00 0.69 C ATOM 1139 C ASN A 76 6.230 -4.140 9.632 1.00 0.61 C ATOM 1140 O ASN A 76 7.070 -4.393 10.494 1.00 0.79 O ATOM 1141 CB ASN A 76 5.758 -6.111 8.153 1.00 0.81 C ATOM 1142 CG ASN A 76 6.958 -6.919 8.623 1.00 1.22 C ATOM 1143 OD1 ASN A 76 8.108 -6.515 8.451 1.00 1.80 O ATOM 1144 ND2 ASN A 76 6.695 -8.078 9.210 1.00 2.12 N ATOM 0 H ASN A 76 4.060 -4.029 7.890 1.00 0.64 H new ATOM 0 HA ASN A 76 4.946 -5.763 10.126 1.00 0.69 H new ATOM 0 HB2 ASN A 76 4.976 -6.794 7.822 1.00 0.81 H new ATOM 0 HB3 ASN A 76 6.047 -5.514 7.288 1.00 0.81 H new ATOM 0 HD21 ASN A 76 7.459 -8.669 9.537 1.00 2.12 H new ATOM 0 HD22 ASN A 76 5.728 -8.379 9.335 1.00 2.12 H new ATOM 1151 N THR A 77 6.164 -2.972 9.002 1.00 0.54 N ATOM 1152 CA THR A 77 7.124 -1.912 9.240 1.00 0.60 C ATOM 1153 C THR A 77 7.129 -1.526 10.722 1.00 0.56 C ATOM 1154 O THR A 77 6.129 -1.065 11.282 1.00 0.61 O ATOM 1155 CB THR A 77 6.867 -0.697 8.317 1.00 0.75 C ATOM 1156 OG1 THR A 77 7.914 0.271 8.460 1.00 0.94 O ATOM 1157 CG2 THR A 77 5.518 -0.058 8.587 1.00 0.78 C ATOM 0 H THR A 77 5.446 -2.739 8.316 1.00 0.54 H new ATOM 0 HA THR A 77 8.119 -2.281 8.990 1.00 0.60 H new ATOM 0 HB THR A 77 6.858 -1.063 7.290 1.00 0.75 H new ATOM 0 HG1 THR A 77 8.728 -0.060 8.026 1.00 0.94 H new ATOM 0 HG21 THR A 77 5.377 0.791 7.918 1.00 0.78 H new ATOM 0 HG22 THR A 77 4.728 -0.790 8.416 1.00 0.78 H new ATOM 0 HG23 THR A 77 5.478 0.284 9.621 1.00 0.78 H new ATOM 1165 N PRO A 78 8.281 -1.722 11.373 1.00 0.63 N ATOM 1166 CA PRO A 78 8.382 -1.800 12.830 1.00 0.67 C ATOM 1167 C PRO A 78 8.212 -0.453 13.535 1.00 0.70 C ATOM 1168 O PRO A 78 7.965 -0.407 14.739 1.00 0.84 O ATOM 1169 CB PRO A 78 9.800 -2.367 13.053 1.00 0.92 C ATOM 1170 CG PRO A 78 10.304 -2.756 11.697 1.00 1.00 C ATOM 1171 CD PRO A 78 9.600 -1.854 10.743 1.00 0.84 C ATOM 0 HA PRO A 78 7.585 -2.412 13.252 1.00 0.67 H new ATOM 0 HB2 PRO A 78 10.450 -1.623 13.513 1.00 0.92 H new ATOM 0 HB3 PRO A 78 9.776 -3.227 13.722 1.00 0.92 H new ATOM 0 HG2 PRO A 78 11.385 -2.634 11.629 1.00 1.00 H new ATOM 0 HG3 PRO A 78 10.087 -3.802 11.482 1.00 1.00 H new ATOM 0 HD2 PRO A 78 10.103 -0.892 10.642 1.00 0.84 H new ATOM 0 HD3 PRO A 78 9.535 -2.286 9.744 1.00 0.84 H new ATOM 1179 N SER A 79 8.319 0.636 12.785 1.00 0.75 N ATOM 1180 CA SER A 79 8.294 1.970 13.376 1.00 0.96 C ATOM 1181 C SER A 79 6.962 2.683 13.108 1.00 0.91 C ATOM 1182 O SER A 79 6.795 3.853 13.454 1.00 1.06 O ATOM 1183 CB SER A 79 9.468 2.796 12.829 1.00 1.23 C ATOM 1184 OG SER A 79 9.512 4.097 13.398 1.00 1.49 O ATOM 0 H SER A 79 8.424 0.624 11.770 1.00 0.75 H new ATOM 0 HA SER A 79 8.394 1.868 14.457 1.00 0.96 H new ATOM 0 HB2 SER A 79 10.404 2.277 13.036 1.00 1.23 H new ATOM 0 HB3 SER A 79 9.381 2.877 11.745 1.00 1.23 H new ATOM 0 HG SER A 79 8.601 4.448 13.482 1.00 1.49 H new ATOM 1190 N ILE A 80 6.012 1.977 12.503 1.00 0.76 N ATOM 1191 CA ILE A 80 4.733 2.582 12.137 1.00 0.76 C ATOM 1192 C ILE A 80 3.584 1.933 12.911 1.00 0.74 C ATOM 1193 O ILE A 80 3.563 0.717 13.099 1.00 0.67 O ATOM 1194 CB ILE A 80 4.466 2.460 10.619 1.00 0.69 C ATOM 1195 CG1 ILE A 80 5.681 2.938 9.811 1.00 0.89 C ATOM 1196 CG2 ILE A 80 3.223 3.253 10.228 1.00 0.76 C ATOM 1197 CD1 ILE A 80 6.102 4.359 10.099 1.00 1.21 C ATOM 0 H ILE A 80 6.101 0.991 12.256 1.00 0.76 H new ATOM 0 HA ILE A 80 4.789 3.639 12.397 1.00 0.76 H new ATOM 0 HB ILE A 80 4.294 1.409 10.389 1.00 0.69 H new ATOM 0 HG12 ILE A 80 6.521 2.275 10.015 1.00 0.89 H new ATOM 0 HG13 ILE A 80 5.454 2.847 8.749 1.00 0.89 H new ATOM 0 HG21 ILE A 80 3.051 3.155 9.156 1.00 0.76 H new ATOM 0 HG22 ILE A 80 2.360 2.867 10.771 1.00 0.76 H new ATOM 0 HG23 ILE A 80 3.368 4.304 10.478 1.00 0.76 H new ATOM 0 HD11 ILE A 80 6.966 4.614 9.486 1.00 1.21 H new ATOM 0 HD12 ILE A 80 5.280 5.036 9.867 1.00 1.21 H new ATOM 0 HD13 ILE A 80 6.364 4.454 11.153 1.00 1.21 H new ATOM 1204 N SER A 81 2.638 2.754 13.362 1.00 0.90 N ATOM 1205 CA SER A 81 1.513 2.276 14.161 1.00 1.01 C ATOM 1206 C SER A 81 0.451 1.624 13.272 1.00 0.88 C ATOM 1207 O SER A 81 0.149 2.107 12.179 1.00 0.74 O ATOM 1208 CB SER A 81 0.899 3.441 14.949 1.00 1.26 C ATOM 1209 OG SER A 81 -0.174 3.000 15.765 1.00 1.79 O ATOM 0 H SER A 81 2.629 3.759 13.186 1.00 0.90 H new ATOM 0 HA SER A 81 1.881 1.525 14.860 1.00 1.01 H new ATOM 0 HB2 SER A 81 1.664 3.906 15.570 1.00 1.26 H new ATOM 0 HB3 SER A 81 0.543 4.204 14.257 1.00 1.26 H new ATOM 0 HG SER A 81 -0.545 3.762 16.257 1.00 1.79 H new ATOM 1215 N GLU A 82 -0.120 0.534 13.786 1.00 0.99 N ATOM 1216 CA GLU A 82 -1.085 -0.291 13.058 1.00 0.96 C ATOM 1217 C GLU A 82 -2.370 0.476 12.743 1.00 0.84 C ATOM 1218 O GLU A 82 -2.984 0.270 11.694 1.00 0.75 O ATOM 1219 CB GLU A 82 -1.407 -1.541 13.885 1.00 1.22 C ATOM 1220 CG GLU A 82 -2.383 -2.496 13.216 1.00 1.50 C ATOM 1221 CD GLU A 82 -2.692 -3.706 14.071 1.00 2.29 C ATOM 1222 OE1 GLU A 82 -3.642 -3.640 14.879 1.00 2.89 O ATOM 1223 OE2 GLU A 82 -1.989 -4.732 13.947 1.00 2.75 O ATOM 0 H GLU A 82 0.076 0.196 14.728 1.00 0.99 H new ATOM 0 HA GLU A 82 -0.637 -0.577 12.106 1.00 0.96 H new ATOM 0 HB2 GLU A 82 -0.479 -2.074 14.093 1.00 1.22 H new ATOM 0 HB3 GLU A 82 -1.819 -1.231 14.845 1.00 1.22 H new ATOM 0 HG2 GLU A 82 -3.309 -1.966 12.994 1.00 1.50 H new ATOM 0 HG3 GLU A 82 -1.968 -2.825 12.263 1.00 1.50 H new ATOM 1230 N GLU A 83 -2.767 1.361 13.648 1.00 0.90 N ATOM 1231 CA GLU A 83 -3.975 2.157 13.462 1.00 0.87 C ATOM 1232 C GLU A 83 -3.840 3.057 12.238 1.00 0.74 C ATOM 1233 O GLU A 83 -4.758 3.169 11.427 1.00 0.73 O ATOM 1234 CB GLU A 83 -4.242 3.004 14.702 1.00 1.05 C ATOM 1235 CG GLU A 83 -5.396 3.974 14.534 1.00 1.30 C ATOM 1236 CD GLU A 83 -5.501 4.949 15.681 1.00 1.60 C ATOM 1237 OE1 GLU A 83 -4.718 5.928 15.708 1.00 1.98 O ATOM 1238 OE2 GLU A 83 -6.368 4.753 16.550 1.00 2.06 O ATOM 0 H GLU A 83 -2.270 1.546 14.519 1.00 0.90 H new ATOM 0 HA GLU A 83 -4.814 1.479 13.306 1.00 0.87 H new ATOM 0 HB2 GLU A 83 -4.451 2.345 15.545 1.00 1.05 H new ATOM 0 HB3 GLU A 83 -3.340 3.564 14.951 1.00 1.05 H new ATOM 0 HG2 GLU A 83 -5.270 4.526 13.602 1.00 1.30 H new ATOM 0 HG3 GLU A 83 -6.328 3.415 14.450 1.00 1.30 H new ATOM 1245 N GLN A 84 -2.675 3.678 12.110 1.00 0.73 N ATOM 1246 CA GLN A 84 -2.390 4.574 10.997 1.00 0.68 C ATOM 1247 C GLN A 84 -2.427 3.810 9.676 1.00 0.56 C ATOM 1248 O GLN A 84 -2.759 4.361 8.625 1.00 0.59 O ATOM 1249 CB GLN A 84 -1.019 5.217 11.209 1.00 0.76 C ATOM 1250 CG GLN A 84 -0.638 6.237 10.153 1.00 1.11 C ATOM 1251 CD GLN A 84 0.719 6.863 10.417 1.00 1.60 C ATOM 1252 OE1 GLN A 84 1.606 6.236 10.997 1.00 2.31 O ATOM 1253 NE2 GLN A 84 0.884 8.107 10.006 1.00 2.28 N ATOM 0 H GLN A 84 -1.905 3.576 12.771 1.00 0.73 H new ATOM 0 HA GLN A 84 -3.150 5.354 10.955 1.00 0.68 H new ATOM 0 HB2 GLN A 84 -1.004 5.700 12.186 1.00 0.76 H new ATOM 0 HB3 GLN A 84 -0.262 4.433 11.230 1.00 0.76 H new ATOM 0 HG2 GLN A 84 -0.630 5.757 9.174 1.00 1.11 H new ATOM 0 HG3 GLN A 84 -1.396 7.020 10.118 1.00 1.11 H new ATOM 0 HE21 GLN A 84 0.124 8.592 9.529 1.00 2.28 H new ATOM 0 HE22 GLN A 84 1.772 8.583 10.166 1.00 2.28 H new ATOM 1262 N ILE A 85 -2.112 2.529 9.758 1.00 0.50 N ATOM 1263 CA ILE A 85 -2.072 1.658 8.597 1.00 0.45 C ATOM 1264 C ILE A 85 -3.474 1.393 8.048 1.00 0.43 C ATOM 1265 O ILE A 85 -3.665 1.273 6.832 1.00 0.43 O ATOM 1266 CB ILE A 85 -1.393 0.327 8.968 1.00 0.46 C ATOM 1267 CG1 ILE A 85 0.041 0.590 9.422 1.00 0.51 C ATOM 1268 CG2 ILE A 85 -1.420 -0.649 7.807 1.00 0.47 C ATOM 1269 CD1 ILE A 85 0.893 1.280 8.377 1.00 1.41 C ATOM 0 H ILE A 85 -1.876 2.063 10.634 1.00 0.50 H new ATOM 0 HA ILE A 85 -1.497 2.159 7.818 1.00 0.45 H new ATOM 0 HB ILE A 85 -1.949 -0.128 9.788 1.00 0.46 H new ATOM 0 HG12 ILE A 85 0.021 1.202 10.324 1.00 0.51 H new ATOM 0 HG13 ILE A 85 0.507 -0.358 9.690 1.00 0.51 H new ATOM 0 HG21 ILE A 85 -0.933 -1.578 8.102 1.00 0.47 H new ATOM 0 HG22 ILE A 85 -2.454 -0.854 7.528 1.00 0.47 H new ATOM 0 HG23 ILE A 85 -0.893 -0.217 6.956 1.00 0.47 H new ATOM 0 HD11 ILE A 85 1.898 1.434 8.770 1.00 1.41 H new ATOM 0 HD12 ILE A 85 0.945 0.660 7.482 1.00 1.41 H new ATOM 0 HD13 ILE A 85 0.451 2.244 8.125 1.00 1.41 H new ATOM 1276 N LYS A 86 -4.453 1.320 8.947 1.00 0.47 N ATOM 1277 CA LYS A 86 -5.841 1.058 8.566 1.00 0.50 C ATOM 1278 C LYS A 86 -6.335 2.133 7.599 1.00 0.41 C ATOM 1279 O LYS A 86 -7.096 1.854 6.674 1.00 0.47 O ATOM 1280 CB LYS A 86 -6.727 1.000 9.830 1.00 0.59 C ATOM 1281 CG LYS A 86 -8.172 0.555 9.602 1.00 0.71 C ATOM 1282 CD LYS A 86 -9.064 1.689 9.097 1.00 0.92 C ATOM 1283 CE LYS A 86 -9.163 2.834 10.098 1.00 1.90 C ATOM 1284 NZ LYS A 86 -9.830 2.427 11.365 1.00 2.45 N ATOM 0 H LYS A 86 -4.310 1.439 9.950 1.00 0.47 H new ATOM 0 HA LYS A 86 -5.900 0.095 8.058 1.00 0.50 H new ATOM 0 HB2 LYS A 86 -6.265 0.320 10.546 1.00 0.59 H new ATOM 0 HB3 LYS A 86 -6.738 1.988 10.290 1.00 0.59 H new ATOM 0 HG2 LYS A 86 -8.187 -0.262 8.881 1.00 0.71 H new ATOM 0 HG3 LYS A 86 -8.580 0.165 10.535 1.00 0.71 H new ATOM 0 HD2 LYS A 86 -8.669 2.067 8.154 1.00 0.92 H new ATOM 0 HD3 LYS A 86 -10.062 1.300 8.892 1.00 0.92 H new ATOM 0 HE2 LYS A 86 -8.163 3.205 10.321 1.00 1.90 H new ATOM 0 HE3 LYS A 86 -9.716 3.659 9.648 1.00 1.90 H new ATOM 0 HZ1 LYS A 86 -9.979 3.264 11.963 1.00 2.45 H new ATOM 0 HZ2 LYS A 86 -10.748 1.988 11.149 1.00 2.45 H new ATOM 0 HZ3 LYS A 86 -9.230 1.744 11.869 1.00 2.45 H new ATOM 1298 N ASP A 87 -5.866 3.353 7.802 1.00 0.34 N ATOM 1299 CA ASP A 87 -6.321 4.488 7.009 1.00 0.31 C ATOM 1300 C ASP A 87 -5.795 4.405 5.580 1.00 0.29 C ATOM 1301 O ASP A 87 -6.449 4.854 4.637 1.00 0.35 O ATOM 1302 CB ASP A 87 -5.883 5.803 7.652 1.00 0.34 C ATOM 1303 CG ASP A 87 -6.739 6.974 7.207 1.00 1.00 C ATOM 1304 OD1 ASP A 87 -7.751 7.277 7.872 1.00 1.09 O ATOM 1305 OD2 ASP A 87 -6.396 7.598 6.179 1.00 1.70 O ATOM 0 H ASP A 87 -5.169 3.585 8.510 1.00 0.34 H new ATOM 0 HA ASP A 87 -7.410 4.456 6.977 1.00 0.31 H new ATOM 0 HB2 ASP A 87 -5.935 5.709 8.737 1.00 0.34 H new ATOM 0 HB3 ASP A 87 -4.841 6.000 7.398 1.00 0.34 H new ATOM 1310 N ILE A 88 -4.614 3.821 5.426 1.00 0.26 N ATOM 1311 CA ILE A 88 -3.929 3.805 4.142 1.00 0.27 C ATOM 1312 C ILE A 88 -4.638 2.930 3.108 1.00 0.31 C ATOM 1313 O ILE A 88 -5.175 3.440 2.130 1.00 0.36 O ATOM 1314 CB ILE A 88 -2.467 3.330 4.280 1.00 0.28 C ATOM 1315 CG1 ILE A 88 -1.764 4.104 5.398 1.00 0.36 C ATOM 1316 CG2 ILE A 88 -1.733 3.510 2.958 1.00 0.38 C ATOM 1317 CD1 ILE A 88 -0.329 3.680 5.639 1.00 0.42 C ATOM 0 H ILE A 88 -4.110 3.351 6.178 1.00 0.26 H new ATOM 0 HA ILE A 88 -3.944 4.837 3.791 1.00 0.27 H new ATOM 0 HB ILE A 88 -2.460 2.271 4.538 1.00 0.28 H new ATOM 0 HG12 ILE A 88 -1.781 5.167 5.156 1.00 0.36 H new ATOM 0 HG13 ILE A 88 -2.328 3.979 6.322 1.00 0.36 H new ATOM 0 HG21 ILE A 88 -0.702 3.172 3.065 1.00 0.38 H new ATOM 0 HG22 ILE A 88 -2.228 2.924 2.184 1.00 0.38 H new ATOM 0 HG23 ILE A 88 -1.742 4.563 2.677 1.00 0.38 H new ATOM 0 HD11 ILE A 88 0.096 4.277 6.446 1.00 0.42 H new ATOM 0 HD12 ILE A 88 -0.302 2.626 5.914 1.00 0.42 H new ATOM 0 HD13 ILE A 88 0.253 3.832 4.730 1.00 0.42 H new ATOM 1324 N PHE A 89 -4.645 1.619 3.321 1.00 0.33 N ATOM 1325 CA PHE A 89 -5.091 0.691 2.280 1.00 0.41 C ATOM 1326 C PHE A 89 -6.397 -0.026 2.621 1.00 0.44 C ATOM 1327 O PHE A 89 -6.978 -0.696 1.773 1.00 0.52 O ATOM 1328 CB PHE A 89 -3.988 -0.337 1.965 1.00 0.45 C ATOM 1329 CG PHE A 89 -3.472 -1.136 3.146 1.00 0.32 C ATOM 1330 CD1 PHE A 89 -2.316 -1.896 3.061 1.00 0.57 C ATOM 1331 CD2 PHE A 89 -4.158 -1.113 4.352 1.00 0.56 C ATOM 1332 CE1 PHE A 89 -1.854 -2.612 4.144 1.00 0.75 C ATOM 1333 CE2 PHE A 89 -3.699 -1.830 5.441 1.00 0.49 C ATOM 1334 CZ PHE A 89 -2.509 -2.621 5.288 1.00 0.51 C ATOM 0 H PHE A 89 -4.352 1.176 4.192 1.00 0.33 H new ATOM 0 HA PHE A 89 -5.292 1.299 1.398 1.00 0.41 H new ATOM 0 HB2 PHE A 89 -4.370 -1.034 1.218 1.00 0.45 H new ATOM 0 HB3 PHE A 89 -3.148 0.188 1.511 1.00 0.45 H new ATOM 0 HD1 PHE A 89 -1.768 -1.928 2.131 1.00 0.57 H new ATOM 0 HD2 PHE A 89 -5.061 -0.528 4.441 1.00 0.56 H new ATOM 0 HE1 PHE A 89 -0.938 -3.177 4.054 1.00 0.75 H new ATOM 0 HE2 PHE A 89 -4.223 -1.797 6.385 1.00 0.49 H new ATOM 0 HZ PHE A 89 -2.151 -3.223 6.110 1.00 0.51 H new ATOM 1344 N TYR A 90 -6.865 0.113 3.849 1.00 0.44 N ATOM 1345 CA TYR A 90 -8.041 -0.628 4.286 1.00 0.53 C ATOM 1346 C TYR A 90 -9.319 0.144 3.961 1.00 0.56 C ATOM 1347 O TYR A 90 -10.388 -0.441 3.788 1.00 0.71 O ATOM 1348 CB TYR A 90 -7.931 -0.930 5.782 1.00 0.56 C ATOM 1349 CG TYR A 90 -9.089 -1.713 6.355 1.00 0.70 C ATOM 1350 CD1 TYR A 90 -10.026 -1.124 7.202 1.00 0.78 C ATOM 1351 CD2 TYR A 90 -9.244 -3.051 6.032 1.00 0.77 C ATOM 1352 CE1 TYR A 90 -11.082 -1.861 7.708 1.00 0.93 C ATOM 1353 CE2 TYR A 90 -10.291 -3.789 6.530 1.00 0.91 C ATOM 1354 CZ TYR A 90 -11.225 -3.114 7.448 1.00 0.96 C ATOM 1355 OH TYR A 90 -12.258 -3.931 7.871 1.00 1.13 O ATOM 0 H TYR A 90 -6.456 0.724 4.556 1.00 0.44 H new ATOM 0 HA TYR A 90 -8.090 -1.574 3.747 1.00 0.53 H new ATOM 0 HB2 TYR A 90 -7.011 -1.486 5.960 1.00 0.56 H new ATOM 0 HB3 TYR A 90 -7.844 0.012 6.323 1.00 0.56 H new ATOM 0 HD1 TYR A 90 -9.927 -0.082 7.466 1.00 0.78 H new ATOM 0 HD2 TYR A 90 -8.528 -3.524 5.376 1.00 0.77 H new ATOM 0 HE1 TYR A 90 -11.808 -1.371 8.340 1.00 0.93 H new ATOM 0 HE2 TYR A 90 -10.424 -4.826 6.258 1.00 0.91 H new ATOM 0 HH TYR A 90 -12.119 -4.838 7.528 1.00 1.13 H new ATOM 1365 N ILE A 91 -9.192 1.457 3.850 1.00 0.48 N ATOM 1366 CA ILE A 91 -10.321 2.311 3.495 1.00 0.53 C ATOM 1367 C ILE A 91 -10.459 2.385 1.969 1.00 0.61 C ATOM 1368 O ILE A 91 -11.331 3.065 1.429 1.00 0.86 O ATOM 1369 CB ILE A 91 -10.147 3.726 4.099 1.00 0.50 C ATOM 1370 CG1 ILE A 91 -9.861 3.621 5.600 1.00 0.47 C ATOM 1371 CG2 ILE A 91 -11.383 4.586 3.863 1.00 0.60 C ATOM 1372 CD1 ILE A 91 -9.776 4.959 6.304 1.00 0.51 C ATOM 0 H ILE A 91 -8.317 1.958 4.001 1.00 0.48 H new ATOM 0 HA ILE A 91 -11.232 1.879 3.909 1.00 0.53 H new ATOM 0 HB ILE A 91 -9.304 4.205 3.601 1.00 0.50 H new ATOM 0 HG12 ILE A 91 -10.644 3.024 6.068 1.00 0.47 H new ATOM 0 HG13 ILE A 91 -8.923 3.085 5.744 1.00 0.47 H new ATOM 0 HG21 ILE A 91 -11.228 5.573 4.299 1.00 0.60 H new ATOM 0 HG22 ILE A 91 -11.557 4.686 2.792 1.00 0.60 H new ATOM 0 HG23 ILE A 91 -12.248 4.115 4.329 1.00 0.60 H new ATOM 0 HD11 ILE A 91 -9.571 4.801 7.363 1.00 0.51 H new ATOM 0 HD12 ILE A 91 -8.974 5.551 5.864 1.00 0.51 H new ATOM 0 HD13 ILE A 91 -10.722 5.489 6.193 1.00 0.51 H new