USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 536 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 17 CYS SG : rot -160:sc= 0.515 USER MOD Set 1.2: A 20 CYS SG : rot 136:sc= 0.557 USER MOD Set 2.1: A 11 GLN : amide:sc= 0.126 K(o=1.2,f=-0.012) USER MOD Set 2.2: A 45 THR OG1 : rot -53:sc= 1.09 USER MOD Single : A 3 SER OG : rot 28:sc= 0.571 USER MOD Single : A 5 GLN : amide:sc= -2.01! C(o=-2!,f=-5.8!) USER MOD Single : A 6 LYS NZ :NH3+ 171:sc=-0.00777 (180deg=-0.109) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 8:sc= 0.764 USER MOD Single : A 15 MET CE :methyl -177:sc= 0 (180deg=-0.0343) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0102 USER MOD Single : A 26 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.029) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 155:sc= -0.957 (180deg=-2.18) USER MOD Single : A 35 THR OG1 : rot 95:sc= 1.24 USER MOD Single : A 38 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.037) USER MOD Single : A 40 ASN : amide:sc= -0.241 K(o=-0.24,f=-1.6) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.767 K(o=0.77,f=-0.0039) USER MOD Single : A 50 TYR OH : rot -30:sc= 0.146 USER MOD Single : A 55 THR OG1 : rot 86:sc= 1.07 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN :FLIP amide:sc=-0.000854 F(o=-1.9,f=-0.00085) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -96:sc= -0.794! (180deg=-1.24!) USER MOD Single : A 69 TYR OH : rot 167:sc= -0.0816 USER MOD Single : A 70 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 39 N SER A 3 -0.341 15.138 13.630 1.00 0.81 N ATOM 40 CA SER A 3 -0.129 13.909 12.899 1.00 0.69 C ATOM 41 C SER A 3 1.370 13.737 12.646 1.00 0.73 C ATOM 42 O SER A 3 1.942 14.422 11.800 1.00 0.82 O ATOM 43 CB SER A 3 -0.925 13.984 11.588 1.00 0.66 C ATOM 44 OG SER A 3 -2.168 14.625 11.837 1.00 0.72 O ATOM 0 HA SER A 3 -0.475 13.044 13.464 1.00 0.69 H new ATOM 0 HB2 SER A 3 -0.361 14.536 10.836 1.00 0.66 H new ATOM 0 HB3 SER A 3 -1.091 12.983 11.191 1.00 0.66 H new ATOM 0 HG SER A 3 -2.073 15.240 12.594 1.00 0.72 H new ATOM 50 N GLU A 4 2.013 12.837 13.393 1.00 0.85 N ATOM 51 CA GLU A 4 3.312 12.321 12.996 1.00 0.89 C ATOM 52 C GLU A 4 3.129 11.513 11.713 1.00 0.91 C ATOM 53 O GLU A 4 2.000 11.233 11.319 1.00 1.03 O ATOM 54 CB GLU A 4 3.910 11.447 14.101 1.00 0.97 C ATOM 55 CG GLU A 4 4.933 12.156 14.972 1.00 0.97 C ATOM 56 CD GLU A 4 5.805 11.157 15.727 1.00 1.23 C ATOM 57 OE1 GLU A 4 5.226 10.191 16.267 1.00 2.29 O ATOM 58 OE2 GLU A 4 7.038 11.354 15.715 1.00 2.01 O ATOM 0 H GLU A 4 1.654 12.457 14.269 1.00 0.85 H new ATOM 0 HA GLU A 4 4.003 13.147 12.824 1.00 0.89 H new ATOM 0 HB2 GLU A 4 3.103 11.079 14.735 1.00 0.97 H new ATOM 0 HB3 GLU A 4 4.380 10.575 13.645 1.00 0.97 H new ATOM 0 HG2 GLU A 4 5.562 12.795 14.352 1.00 0.97 H new ATOM 0 HG3 GLU A 4 4.421 12.805 15.682 1.00 0.97 H new ATOM 65 N GLN A 5 4.237 11.099 11.095 1.00 0.90 N ATOM 66 CA GLN A 5 4.247 10.261 9.908 1.00 0.86 C ATOM 67 C GLN A 5 5.219 9.104 10.105 1.00 0.86 C ATOM 68 O GLN A 5 6.162 9.225 10.886 1.00 1.08 O ATOM 69 CB GLN A 5 4.646 11.093 8.692 1.00 0.88 C ATOM 70 CG GLN A 5 3.556 12.093 8.280 1.00 0.90 C ATOM 71 CD GLN A 5 2.998 11.763 6.904 1.00 0.59 C ATOM 72 OE1 GLN A 5 2.917 12.627 6.041 1.00 1.05 O ATOM 73 NE2 GLN A 5 2.690 10.492 6.665 1.00 0.62 N ATOM 0 H GLN A 5 5.172 11.347 11.419 1.00 0.90 H new ATOM 0 HA GLN A 5 3.249 9.856 9.741 1.00 0.86 H new ATOM 0 HB2 GLN A 5 5.566 11.634 8.912 1.00 0.88 H new ATOM 0 HB3 GLN A 5 4.860 10.428 7.855 1.00 0.88 H new ATOM 0 HG2 GLN A 5 2.751 12.080 9.014 1.00 0.90 H new ATOM 0 HG3 GLN A 5 3.968 13.102 8.276 1.00 0.90 H new ATOM 0 HE21 GLN A 5 2.770 9.799 7.409 1.00 0.62 H new ATOM 0 HE22 GLN A 5 2.374 10.210 5.737 1.00 0.62 H new ATOM 82 N LYS A 6 4.981 7.989 9.407 1.00 0.68 N ATOM 83 CA LYS A 6 5.891 6.860 9.315 1.00 0.77 C ATOM 84 C LYS A 6 5.805 6.238 7.926 1.00 0.63 C ATOM 85 O LYS A 6 4.825 6.426 7.200 1.00 0.47 O ATOM 86 CB LYS A 6 5.567 5.794 10.372 1.00 0.92 C ATOM 87 CG LYS A 6 5.886 6.212 11.811 1.00 1.45 C ATOM 88 CD LYS A 6 7.397 6.386 12.033 1.00 1.04 C ATOM 89 CE LYS A 6 7.734 6.731 13.490 1.00 2.15 C ATOM 90 NZ LYS A 6 7.372 5.649 14.426 1.00 3.23 N ATOM 0 H LYS A 6 4.121 7.850 8.877 1.00 0.68 H new ATOM 0 HA LYS A 6 6.901 7.228 9.495 1.00 0.77 H new ATOM 0 HB2 LYS A 6 4.508 5.544 10.305 1.00 0.92 H new ATOM 0 HB3 LYS A 6 6.124 4.887 10.138 1.00 0.92 H new ATOM 0 HG2 LYS A 6 5.375 7.147 12.040 1.00 1.45 H new ATOM 0 HG3 LYS A 6 5.501 5.461 12.501 1.00 1.45 H new ATOM 0 HD2 LYS A 6 7.912 5.468 11.751 1.00 1.04 H new ATOM 0 HD3 LYS A 6 7.770 7.174 11.379 1.00 1.04 H new ATOM 0 HE2 LYS A 6 8.801 6.937 13.574 1.00 2.15 H new ATOM 0 HE3 LYS A 6 7.210 7.643 13.774 1.00 2.15 H new ATOM 0 HZ1 LYS A 6 7.755 5.863 15.369 1.00 3.23 H new ATOM 0 HZ2 LYS A 6 6.336 5.571 14.482 1.00 3.23 H new ATOM 0 HZ3 LYS A 6 7.769 4.750 14.087 1.00 3.23 H new ATOM 104 N GLU A 7 6.853 5.484 7.602 1.00 0.76 N ATOM 105 CA GLU A 7 7.179 4.921 6.317 1.00 0.64 C ATOM 106 C GLU A 7 7.247 3.418 6.521 1.00 0.59 C ATOM 107 O GLU A 7 8.266 2.876 6.948 1.00 0.77 O ATOM 108 CB GLU A 7 8.540 5.446 5.836 1.00 0.80 C ATOM 109 CG GLU A 7 8.841 6.912 6.185 1.00 0.89 C ATOM 110 CD GLU A 7 9.232 7.163 7.646 1.00 1.21 C ATOM 111 OE1 GLU A 7 9.215 6.195 8.446 1.00 1.30 O ATOM 112 OE2 GLU A 7 9.505 8.340 7.953 1.00 1.98 O ATOM 0 H GLU A 7 7.551 5.236 8.303 1.00 0.76 H new ATOM 0 HA GLU A 7 6.437 5.192 5.566 1.00 0.64 H new ATOM 0 HB2 GLU A 7 9.324 4.820 6.263 1.00 0.80 H new ATOM 0 HB3 GLU A 7 8.594 5.329 4.754 1.00 0.80 H new ATOM 0 HG2 GLU A 7 9.648 7.264 5.543 1.00 0.89 H new ATOM 0 HG3 GLU A 7 7.962 7.513 5.951 1.00 0.89 H new ATOM 119 N ILE A 8 6.153 2.724 6.255 1.00 0.50 N ATOM 120 CA ILE A 8 6.134 1.302 6.442 1.00 0.51 C ATOM 121 C ILE A 8 6.755 0.677 5.196 1.00 0.40 C ATOM 122 O ILE A 8 6.863 1.343 4.165 1.00 0.37 O ATOM 123 CB ILE A 8 4.694 0.875 6.691 1.00 0.57 C ATOM 124 CG1 ILE A 8 3.899 1.734 7.673 1.00 1.21 C ATOM 125 CG2 ILE A 8 4.660 -0.585 7.096 1.00 0.97 C ATOM 126 CD1 ILE A 8 4.621 1.849 8.994 1.00 2.04 C ATOM 0 H ILE A 8 5.280 3.126 5.913 1.00 0.50 H new ATOM 0 HA ILE A 8 6.713 0.970 7.304 1.00 0.51 H new ATOM 0 HB ILE A 8 4.181 1.029 5.741 1.00 0.57 H new ATOM 0 HG12 ILE A 8 3.744 2.727 7.251 1.00 1.21 H new ATOM 0 HG13 ILE A 8 2.913 1.297 7.830 1.00 1.21 H new ATOM 0 HG21 ILE A 8 3.629 -0.889 7.274 1.00 0.97 H new ATOM 0 HG22 ILE A 8 5.085 -1.194 6.298 1.00 0.97 H new ATOM 0 HG23 ILE A 8 5.241 -0.723 8.008 1.00 0.97 H new ATOM 0 HD11 ILE A 8 4.035 2.465 9.676 1.00 2.04 H new ATOM 0 HD12 ILE A 8 4.753 0.856 9.424 1.00 2.04 H new ATOM 0 HD13 ILE A 8 5.597 2.309 8.837 1.00 2.04 H new ATOM 138 N ALA A 9 7.175 -0.584 5.295 1.00 0.44 N ATOM 139 CA ALA A 9 7.616 -1.401 4.179 1.00 0.44 C ATOM 140 C ALA A 9 6.930 -2.757 4.318 1.00 0.50 C ATOM 141 O ALA A 9 6.816 -3.246 5.442 1.00 0.70 O ATOM 142 CB ALA A 9 9.139 -1.557 4.209 1.00 0.48 C ATOM 0 H ALA A 9 7.217 -1.076 6.188 1.00 0.44 H new ATOM 0 HA ALA A 9 7.355 -0.938 3.227 1.00 0.44 H new ATOM 0 HB1 ALA A 9 9.458 -2.172 3.367 1.00 0.48 H new ATOM 0 HB2 ALA A 9 9.607 -0.575 4.139 1.00 0.48 H new ATOM 0 HB3 ALA A 9 9.437 -2.036 5.142 1.00 0.48 H new ATOM 148 N MET A 10 6.478 -3.359 3.215 1.00 0.37 N ATOM 149 CA MET A 10 5.959 -4.723 3.218 1.00 0.37 C ATOM 150 C MET A 10 6.159 -5.364 1.842 1.00 0.27 C ATOM 151 O MET A 10 6.639 -4.697 0.920 1.00 0.27 O ATOM 152 CB MET A 10 4.504 -4.786 3.729 1.00 0.59 C ATOM 153 CG MET A 10 3.445 -4.106 2.854 1.00 1.58 C ATOM 154 SD MET A 10 3.362 -2.292 2.891 1.00 2.13 S ATOM 155 CE MET A 10 2.266 -2.047 4.302 1.00 1.82 C ATOM 0 H MET A 10 6.463 -2.913 2.298 1.00 0.37 H new ATOM 0 HA MET A 10 6.530 -5.318 3.931 1.00 0.37 H new ATOM 0 HB2 MET A 10 4.228 -5.834 3.847 1.00 0.59 H new ATOM 0 HB3 MET A 10 4.470 -4.334 4.720 1.00 0.59 H new ATOM 0 HG2 MET A 10 3.614 -4.414 1.822 1.00 1.58 H new ATOM 0 HG3 MET A 10 2.469 -4.493 3.146 1.00 1.58 H new ATOM 0 HE1 MET A 10 2.111 -0.980 4.461 1.00 1.82 H new ATOM 0 HE2 MET A 10 1.308 -2.528 4.106 1.00 1.82 H new ATOM 0 HE3 MET A 10 2.716 -2.485 5.193 1.00 1.82 H new ATOM 165 N GLN A 11 5.815 -6.651 1.720 1.00 0.27 N ATOM 166 CA GLN A 11 5.890 -7.406 0.474 1.00 0.25 C ATOM 167 C GLN A 11 4.515 -7.463 -0.187 1.00 0.26 C ATOM 168 O GLN A 11 3.503 -7.280 0.483 1.00 0.33 O ATOM 169 CB GLN A 11 6.434 -8.817 0.764 1.00 0.34 C ATOM 170 CG GLN A 11 7.966 -8.833 0.863 1.00 0.69 C ATOM 171 CD GLN A 11 8.569 -8.325 -0.438 1.00 1.30 C ATOM 172 OE1 GLN A 11 9.251 -7.302 -0.463 1.00 2.61 O ATOM 173 NE2 GLN A 11 8.218 -8.978 -1.539 1.00 0.83 N ATOM 0 H GLN A 11 5.470 -7.204 2.504 1.00 0.27 H new ATOM 0 HA GLN A 11 6.570 -6.910 -0.219 1.00 0.25 H new ATOM 0 HB2 GLN A 11 6.006 -9.186 1.696 1.00 0.34 H new ATOM 0 HB3 GLN A 11 6.114 -9.498 -0.025 1.00 0.34 H new ATOM 0 HG2 GLN A 11 8.293 -8.209 1.695 1.00 0.69 H new ATOM 0 HG3 GLN A 11 8.316 -9.845 1.067 1.00 0.69 H new ATOM 0 HE21 GLN A 11 7.651 -9.823 -1.472 1.00 0.83 H new ATOM 0 HE22 GLN A 11 8.515 -8.635 -2.452 1.00 0.83 H new ATOM 182 N VAL A 12 4.484 -7.703 -1.502 1.00 0.33 N ATOM 183 CA VAL A 12 3.277 -7.688 -2.325 1.00 0.38 C ATOM 184 C VAL A 12 2.955 -9.112 -2.792 1.00 0.34 C ATOM 185 O VAL A 12 3.809 -9.995 -2.756 1.00 0.43 O ATOM 186 CB VAL A 12 3.497 -6.716 -3.506 1.00 0.56 C ATOM 187 CG1 VAL A 12 2.249 -6.547 -4.384 1.00 1.21 C ATOM 188 CG2 VAL A 12 3.891 -5.337 -2.964 1.00 1.08 C ATOM 0 H VAL A 12 5.326 -7.919 -2.036 1.00 0.33 H new ATOM 0 HA VAL A 12 2.418 -7.337 -1.753 1.00 0.38 H new ATOM 0 HB VAL A 12 4.286 -7.146 -4.123 1.00 0.56 H new ATOM 0 HG11 VAL A 12 2.467 -5.853 -5.196 1.00 1.21 H new ATOM 0 HG12 VAL A 12 1.963 -7.513 -4.800 1.00 1.21 H new ATOM 0 HG13 VAL A 12 1.430 -6.155 -3.781 1.00 1.21 H new ATOM 0 HG21 VAL A 12 4.047 -4.650 -3.796 1.00 1.08 H new ATOM 0 HG22 VAL A 12 3.095 -4.957 -2.323 1.00 1.08 H new ATOM 0 HG23 VAL A 12 4.812 -5.422 -2.387 1.00 1.08 H new ATOM 198 N SER A 13 1.721 -9.354 -3.236 1.00 0.51 N ATOM 199 CA SER A 13 1.327 -10.539 -3.982 1.00 0.64 C ATOM 200 C SER A 13 0.190 -10.136 -4.919 1.00 0.84 C ATOM 201 O SER A 13 -0.374 -9.058 -4.762 1.00 0.86 O ATOM 202 CB SER A 13 0.899 -11.647 -3.018 1.00 0.75 C ATOM 203 OG SER A 13 2.021 -12.119 -2.299 1.00 0.93 O ATOM 0 H SER A 13 0.948 -8.708 -3.079 1.00 0.51 H new ATOM 0 HA SER A 13 2.159 -10.930 -4.567 1.00 0.64 H new ATOM 0 HB2 SER A 13 0.146 -11.269 -2.327 1.00 0.75 H new ATOM 0 HB3 SER A 13 0.440 -12.466 -3.572 1.00 0.75 H new ATOM 0 HG SER A 13 2.793 -11.544 -2.483 1.00 0.93 H new ATOM 209 N GLY A 14 -0.118 -10.969 -5.918 1.00 1.10 N ATOM 210 CA GLY A 14 -1.164 -10.693 -6.903 1.00 1.37 C ATOM 211 C GLY A 14 -0.620 -10.012 -8.163 1.00 1.54 C ATOM 212 O GLY A 14 -1.159 -10.203 -9.251 1.00 2.47 O ATOM 0 H GLY A 14 0.356 -11.860 -6.065 1.00 1.10 H new ATOM 0 HA2 GLY A 14 -1.652 -11.627 -7.181 1.00 1.37 H new ATOM 0 HA3 GLY A 14 -1.926 -10.058 -6.451 1.00 1.37 H new ATOM 216 N MET A 15 0.453 -9.225 -8.038 1.00 1.54 N ATOM 217 CA MET A 15 1.082 -8.555 -9.169 1.00 1.61 C ATOM 218 C MET A 15 1.439 -9.517 -10.303 1.00 1.55 C ATOM 219 O MET A 15 2.374 -10.299 -10.180 1.00 2.12 O ATOM 220 CB MET A 15 2.315 -7.770 -8.715 1.00 1.63 C ATOM 221 CG MET A 15 3.385 -8.618 -8.005 1.00 1.36 C ATOM 222 SD MET A 15 4.943 -8.816 -8.914 1.00 2.07 S ATOM 223 CE MET A 15 5.730 -10.083 -7.899 1.00 2.27 C ATOM 0 H MET A 15 0.908 -9.037 -7.144 1.00 1.54 H new ATOM 0 HA MET A 15 0.347 -7.858 -9.570 1.00 1.61 H new ATOM 0 HB2 MET A 15 2.766 -7.292 -9.584 1.00 1.63 H new ATOM 0 HB3 MET A 15 1.996 -6.973 -8.043 1.00 1.63 H new ATOM 0 HG2 MET A 15 3.602 -8.164 -7.038 1.00 1.36 H new ATOM 0 HG3 MET A 15 2.970 -9.606 -7.807 1.00 1.36 H new ATOM 0 HE1 MET A 15 6.728 -10.290 -8.285 1.00 2.27 H new ATOM 0 HE2 MET A 15 5.804 -9.731 -6.870 1.00 2.27 H new ATOM 0 HE3 MET A 15 5.134 -10.995 -7.928 1.00 2.27 H new ATOM 233 N THR A 16 0.699 -9.440 -11.410 1.00 1.15 N ATOM 234 CA THR A 16 0.928 -10.259 -12.596 1.00 1.24 C ATOM 235 C THR A 16 0.393 -9.647 -13.900 1.00 1.68 C ATOM 236 O THR A 16 0.329 -10.342 -14.912 1.00 2.87 O ATOM 237 CB THR A 16 0.428 -11.703 -12.383 1.00 2.62 C ATOM 238 OG1 THR A 16 -0.617 -11.817 -11.430 1.00 3.47 O ATOM 239 CG2 THR A 16 1.539 -12.697 -12.018 1.00 3.81 C ATOM 0 H THR A 16 -0.087 -8.797 -11.507 1.00 1.15 H new ATOM 0 HA THR A 16 2.009 -10.290 -12.729 1.00 1.24 H new ATOM 0 HB THR A 16 0.032 -11.967 -13.364 1.00 2.62 H new ATOM 0 HG1 THR A 16 -0.884 -12.756 -11.348 1.00 3.47 H new ATOM 0 HG21 THR A 16 1.109 -13.690 -11.884 1.00 3.81 H new ATOM 0 HG22 THR A 16 2.278 -12.726 -12.818 1.00 3.81 H new ATOM 0 HG23 THR A 16 2.019 -12.382 -11.092 1.00 3.81 H new ATOM 247 N CYS A 17 0.047 -8.357 -13.910 1.00 1.58 N ATOM 248 CA CYS A 17 -0.565 -7.730 -15.077 1.00 3.00 C ATOM 249 C CYS A 17 0.491 -6.877 -15.769 1.00 3.63 C ATOM 250 O CYS A 17 0.830 -7.077 -16.930 1.00 5.03 O ATOM 251 CB CYS A 17 -1.769 -6.889 -14.635 1.00 3.18 C ATOM 252 SG CYS A 17 -2.776 -7.789 -13.426 1.00 3.83 S ATOM 0 H CYS A 17 0.182 -7.728 -13.119 1.00 1.58 H new ATOM 0 HA CYS A 17 -0.928 -8.481 -15.779 1.00 3.00 H new ATOM 0 HB2 CYS A 17 -1.423 -5.951 -14.200 1.00 3.18 H new ATOM 0 HB3 CYS A 17 -2.377 -6.633 -15.503 1.00 3.18 H new ATOM 0 HG CYS A 17 -3.968 -7.272 -13.384 1.00 3.83 H new ATOM 257 N ALA A 18 1.015 -5.927 -14.996 1.00 3.34 N ATOM 258 CA ALA A 18 2.105 -5.038 -15.347 1.00 3.88 C ATOM 259 C ALA A 18 2.457 -4.262 -14.084 1.00 2.44 C ATOM 260 O ALA A 18 3.597 -4.291 -13.631 1.00 3.01 O ATOM 261 CB ALA A 18 1.703 -4.090 -16.485 1.00 5.49 C ATOM 0 H ALA A 18 0.665 -5.753 -14.054 1.00 3.34 H new ATOM 0 HA ALA A 18 2.965 -5.602 -15.709 1.00 3.88 H new ATOM 0 HB1 ALA A 18 2.541 -3.435 -16.726 1.00 5.49 H new ATOM 0 HB2 ALA A 18 1.432 -4.673 -17.366 1.00 5.49 H new ATOM 0 HB3 ALA A 18 0.850 -3.488 -16.173 1.00 5.49 H new ATOM 267 N ALA A 19 1.462 -3.572 -13.512 1.00 1.47 N ATOM 268 CA ALA A 19 1.708 -2.603 -12.452 1.00 1.41 C ATOM 269 C ALA A 19 0.441 -2.213 -11.685 1.00 1.06 C ATOM 270 O ALA A 19 0.342 -1.098 -11.181 1.00 0.99 O ATOM 271 CB ALA A 19 2.356 -1.384 -13.098 1.00 2.06 C ATOM 0 H ALA A 19 0.480 -3.671 -13.770 1.00 1.47 H new ATOM 0 HA ALA A 19 2.364 -3.050 -11.705 1.00 1.41 H new ATOM 0 HB1 ALA A 19 2.557 -0.632 -12.335 1.00 2.06 H new ATOM 0 HB2 ALA A 19 3.292 -1.678 -13.573 1.00 2.06 H new ATOM 0 HB3 ALA A 19 1.683 -0.969 -13.848 1.00 2.06 H new ATOM 277 N CYS A 20 -0.518 -3.129 -11.539 1.00 0.91 N ATOM 278 CA CYS A 20 -1.707 -2.898 -10.723 1.00 0.64 C ATOM 279 C CYS A 20 -1.335 -2.568 -9.271 1.00 0.58 C ATOM 280 O CYS A 20 -1.998 -1.760 -8.620 1.00 0.47 O ATOM 281 CB CYS A 20 -2.617 -4.118 -10.829 1.00 0.67 C ATOM 282 SG CYS A 20 -3.219 -4.232 -12.529 1.00 1.19 S ATOM 0 H CYS A 20 -0.491 -4.047 -11.982 1.00 0.91 H new ATOM 0 HA CYS A 20 -2.246 -2.027 -11.096 1.00 0.64 H new ATOM 0 HB2 CYS A 20 -2.072 -5.022 -10.558 1.00 0.67 H new ATOM 0 HB3 CYS A 20 -3.453 -4.029 -10.135 1.00 0.67 H new ATOM 0 HG CYS A 20 -3.144 -5.465 -12.934 1.00 1.19 H new ATOM 287 N ALA A 21 -0.227 -3.129 -8.784 1.00 0.71 N ATOM 288 CA ALA A 21 0.353 -2.764 -7.499 1.00 0.69 C ATOM 289 C ALA A 21 0.603 -1.250 -7.371 1.00 0.53 C ATOM 290 O ALA A 21 0.616 -0.708 -6.272 1.00 0.47 O ATOM 291 CB ALA A 21 1.632 -3.570 -7.272 1.00 0.91 C ATOM 0 H ALA A 21 0.294 -3.854 -9.277 1.00 0.71 H new ATOM 0 HA ALA A 21 -0.367 -3.010 -6.719 1.00 0.69 H new ATOM 0 HB1 ALA A 21 2.068 -3.298 -6.311 1.00 0.91 H new ATOM 0 HB2 ALA A 21 1.397 -4.634 -7.276 1.00 0.91 H new ATOM 0 HB3 ALA A 21 2.345 -3.353 -8.068 1.00 0.91 H new ATOM 297 N ALA A 22 0.784 -0.529 -8.478 1.00 0.55 N ATOM 298 CA ALA A 22 0.794 0.923 -8.429 1.00 0.48 C ATOM 299 C ALA A 22 -0.608 1.450 -8.141 1.00 0.37 C ATOM 300 O ALA A 22 -0.787 2.306 -7.276 1.00 0.31 O ATOM 301 CB ALA A 22 1.363 1.493 -9.731 1.00 0.65 C ATOM 0 H ALA A 22 0.924 -0.926 -9.407 1.00 0.55 H new ATOM 0 HA ALA A 22 1.442 1.252 -7.617 1.00 0.48 H new ATOM 0 HB1 ALA A 22 1.365 2.582 -9.681 1.00 0.65 H new ATOM 0 HB2 ALA A 22 2.383 1.134 -9.870 1.00 0.65 H new ATOM 0 HB3 ALA A 22 0.747 1.169 -10.570 1.00 0.65 H new ATOM 307 N ARG A 23 -1.610 0.951 -8.868 1.00 0.42 N ATOM 308 CA ARG A 23 -2.984 1.402 -8.715 1.00 0.38 C ATOM 309 C ARG A 23 -3.415 1.245 -7.261 1.00 0.32 C ATOM 310 O ARG A 23 -3.961 2.192 -6.691 1.00 0.34 O ATOM 311 CB ARG A 23 -3.926 0.655 -9.671 1.00 0.44 C ATOM 312 CG ARG A 23 -3.573 0.871 -11.152 1.00 0.84 C ATOM 313 CD ARG A 23 -4.001 2.248 -11.679 1.00 1.50 C ATOM 314 NE ARG A 23 -5.468 2.360 -11.752 1.00 2.13 N ATOM 315 CZ ARG A 23 -6.137 3.392 -12.293 1.00 3.33 C ATOM 316 NH1 ARG A 23 -5.465 4.463 -12.733 1.00 4.27 N ATOM 317 NH2 ARG A 23 -7.470 3.347 -12.395 1.00 4.18 N ATOM 0 H ARG A 23 -1.487 0.226 -9.575 1.00 0.42 H new ATOM 0 HA ARG A 23 -3.041 2.458 -8.980 1.00 0.38 H new ATOM 0 HB2 ARG A 23 -3.892 -0.411 -9.447 1.00 0.44 H new ATOM 0 HB3 ARG A 23 -4.950 0.985 -9.495 1.00 0.44 H new ATOM 0 HG2 ARG A 23 -2.497 0.757 -11.283 1.00 0.84 H new ATOM 0 HG3 ARG A 23 -4.051 0.095 -11.750 1.00 0.84 H new ATOM 0 HD2 ARG A 23 -3.606 3.028 -11.028 1.00 1.50 H new ATOM 0 HD3 ARG A 23 -3.572 2.411 -12.668 1.00 1.50 H new ATOM 0 HE ARG A 23 -6.018 1.595 -11.362 1.00 2.13 H new ATOM 0 HH11 ARG A 23 -4.448 4.494 -12.657 1.00 4.27 H new ATOM 0 HH12 ARG A 23 -5.970 5.248 -13.144 1.00 4.27 H new ATOM 0 HH21 ARG A 23 -7.980 2.529 -12.062 1.00 4.18 H new ATOM 0 HH22 ARG A 23 -7.977 4.131 -12.806 1.00 4.18 H new ATOM 331 N ILE A 24 -3.142 0.085 -6.651 1.00 0.33 N ATOM 332 CA ILE A 24 -3.500 -0.099 -5.249 1.00 0.32 C ATOM 333 C ILE A 24 -2.852 0.974 -4.375 1.00 0.30 C ATOM 334 O ILE A 24 -3.572 1.693 -3.698 1.00 0.32 O ATOM 335 CB ILE A 24 -3.327 -1.532 -4.724 1.00 0.40 C ATOM 336 CG1 ILE A 24 -1.860 -1.835 -4.443 1.00 0.48 C ATOM 337 CG2 ILE A 24 -3.975 -2.528 -5.688 1.00 0.52 C ATOM 338 CD1 ILE A 24 -1.516 -3.301 -4.218 1.00 0.53 C ATOM 0 H ILE A 24 -2.689 -0.714 -7.093 1.00 0.33 H new ATOM 0 HA ILE A 24 -4.578 0.045 -5.184 1.00 0.32 H new ATOM 0 HB ILE A 24 -3.844 -1.633 -3.770 1.00 0.40 H new ATOM 0 HG12 ILE A 24 -1.266 -1.466 -5.279 1.00 0.48 H new ATOM 0 HG13 ILE A 24 -1.555 -1.271 -3.562 1.00 0.48 H new ATOM 0 HG21 ILE A 24 -3.846 -3.541 -5.306 1.00 0.52 H new ATOM 0 HG22 ILE A 24 -5.038 -2.307 -5.779 1.00 0.52 H new ATOM 0 HG23 ILE A 24 -3.503 -2.447 -6.667 1.00 0.52 H new ATOM 0 HD11 ILE A 24 -0.447 -3.399 -4.027 1.00 0.53 H new ATOM 0 HD12 ILE A 24 -2.074 -3.678 -3.361 1.00 0.53 H new ATOM 0 HD13 ILE A 24 -1.781 -3.877 -5.105 1.00 0.53 H new ATOM 350 N GLU A 25 -1.527 1.140 -4.425 1.00 0.32 N ATOM 351 CA GLU A 25 -0.814 2.132 -3.620 1.00 0.36 C ATOM 352 C GLU A 25 -1.353 3.549 -3.832 1.00 0.39 C ATOM 353 O GLU A 25 -1.446 4.346 -2.900 1.00 0.47 O ATOM 354 CB GLU A 25 0.695 2.073 -3.918 1.00 0.42 C ATOM 355 CG GLU A 25 1.470 1.609 -2.680 1.00 0.49 C ATOM 356 CD GLU A 25 0.988 0.246 -2.207 1.00 1.07 C ATOM 357 OE1 GLU A 25 1.083 -0.702 -3.014 1.00 1.99 O ATOM 358 OE2 GLU A 25 0.537 0.188 -1.045 1.00 2.22 O ATOM 0 H GLU A 25 -0.918 0.587 -5.028 1.00 0.32 H new ATOM 0 HA GLU A 25 -0.981 1.883 -2.572 1.00 0.36 H new ATOM 0 HB2 GLU A 25 0.881 1.391 -4.747 1.00 0.42 H new ATOM 0 HB3 GLU A 25 1.049 3.056 -4.228 1.00 0.42 H new ATOM 0 HG2 GLU A 25 2.534 1.561 -2.911 1.00 0.49 H new ATOM 0 HG3 GLU A 25 1.350 2.338 -1.879 1.00 0.49 H new ATOM 365 N LYS A 26 -1.676 3.888 -5.077 1.00 0.39 N ATOM 366 CA LYS A 26 -2.123 5.224 -5.434 1.00 0.46 C ATOM 367 C LYS A 26 -3.530 5.462 -4.882 1.00 0.47 C ATOM 368 O LYS A 26 -3.782 6.501 -4.272 1.00 0.61 O ATOM 369 CB LYS A 26 -2.015 5.428 -6.953 1.00 0.54 C ATOM 370 CG LYS A 26 -0.659 6.013 -7.399 1.00 0.52 C ATOM 371 CD LYS A 26 0.597 5.265 -6.930 1.00 1.19 C ATOM 372 CE LYS A 26 1.841 5.904 -7.569 1.00 0.79 C ATOM 373 NZ LYS A 26 3.098 5.304 -7.074 1.00 1.89 N ATOM 0 H LYS A 26 -1.634 3.241 -5.865 1.00 0.39 H new ATOM 0 HA LYS A 26 -1.478 5.975 -4.979 1.00 0.46 H new ATOM 0 HB2 LYS A 26 -2.171 4.472 -7.452 1.00 0.54 H new ATOM 0 HB3 LYS A 26 -2.814 6.093 -7.280 1.00 0.54 H new ATOM 0 HG2 LYS A 26 -0.646 6.052 -8.488 1.00 0.52 H new ATOM 0 HG3 LYS A 26 -0.597 7.041 -7.042 1.00 0.52 H new ATOM 0 HD2 LYS A 26 0.672 5.304 -5.843 1.00 1.19 H new ATOM 0 HD3 LYS A 26 0.532 4.213 -7.207 1.00 1.19 H new ATOM 0 HE2 LYS A 26 1.789 5.791 -8.652 1.00 0.79 H new ATOM 0 HE3 LYS A 26 1.845 6.974 -7.360 1.00 0.79 H new ATOM 0 HZ1 LYS A 26 3.908 5.843 -7.441 1.00 1.89 H new ATOM 0 HZ2 LYS A 26 3.108 5.328 -6.034 1.00 1.89 H new ATOM 0 HZ3 LYS A 26 3.163 4.318 -7.398 1.00 1.89 H new ATOM 387 N GLY A 27 -4.441 4.501 -5.060 1.00 0.41 N ATOM 388 CA GLY A 27 -5.758 4.571 -4.442 1.00 0.47 C ATOM 389 C GLY A 27 -5.625 4.623 -2.921 1.00 0.56 C ATOM 390 O GLY A 27 -6.219 5.463 -2.256 1.00 0.92 O ATOM 0 H GLY A 27 -4.286 3.668 -5.628 1.00 0.41 H new ATOM 0 HA2 GLY A 27 -6.288 5.454 -4.798 1.00 0.47 H new ATOM 0 HA3 GLY A 27 -6.351 3.704 -4.733 1.00 0.47 H new ATOM 394 N LEU A 28 -4.807 3.735 -2.368 1.00 0.36 N ATOM 395 CA LEU A 28 -4.492 3.635 -0.951 1.00 0.43 C ATOM 396 C LEU A 28 -4.018 4.995 -0.418 1.00 0.53 C ATOM 397 O LEU A 28 -4.478 5.444 0.629 1.00 0.66 O ATOM 398 CB LEU A 28 -3.525 2.462 -0.811 1.00 0.40 C ATOM 399 CG LEU A 28 -3.051 2.088 0.591 1.00 0.51 C ATOM 400 CD1 LEU A 28 -2.410 0.705 0.481 1.00 1.75 C ATOM 401 CD2 LEU A 28 -2.028 3.119 1.070 1.00 1.95 C ATOM 0 H LEU A 28 -4.322 3.031 -2.925 1.00 0.36 H new ATOM 0 HA LEU A 28 -5.351 3.415 -0.317 1.00 0.43 H new ATOM 0 HB2 LEU A 28 -4.000 1.584 -1.248 1.00 0.40 H new ATOM 0 HB3 LEU A 28 -2.644 2.682 -1.414 1.00 0.40 H new ATOM 0 HG LEU A 28 -3.873 2.073 1.307 1.00 0.51 H new ATOM 0 HD11 LEU A 28 -2.053 0.390 1.462 1.00 1.75 H new ATOM 0 HD12 LEU A 28 -3.148 -0.010 0.117 1.00 1.75 H new ATOM 0 HD13 LEU A 28 -1.571 0.747 -0.214 1.00 1.75 H new ATOM 0 HD21 LEU A 28 -1.687 2.855 2.071 1.00 1.95 H new ATOM 0 HD22 LEU A 28 -1.177 3.131 0.389 1.00 1.95 H new ATOM 0 HD23 LEU A 28 -2.489 4.106 1.092 1.00 1.95 H new ATOM 413 N LYS A 29 -3.169 5.712 -1.158 1.00 0.50 N ATOM 414 CA LYS A 29 -2.781 7.063 -0.770 1.00 0.58 C ATOM 415 C LYS A 29 -3.980 8.009 -0.619 1.00 0.63 C ATOM 416 O LYS A 29 -3.943 8.925 0.193 1.00 0.72 O ATOM 417 CB LYS A 29 -1.772 7.640 -1.762 1.00 0.68 C ATOM 418 CG LYS A 29 -1.049 8.856 -1.157 1.00 0.82 C ATOM 419 CD LYS A 29 -0.687 9.873 -2.242 1.00 1.00 C ATOM 420 CE LYS A 29 0.404 9.327 -3.169 1.00 2.37 C ATOM 421 NZ LYS A 29 0.297 9.874 -4.530 1.00 3.45 N ATOM 0 H LYS A 29 -2.742 5.380 -2.022 1.00 0.50 H new ATOM 0 HA LYS A 29 -2.316 6.982 0.212 1.00 0.58 H new ATOM 0 HB2 LYS A 29 -1.044 6.876 -2.034 1.00 0.68 H new ATOM 0 HB3 LYS A 29 -2.283 7.934 -2.679 1.00 0.68 H new ATOM 0 HG2 LYS A 29 -1.686 9.328 -0.409 1.00 0.82 H new ATOM 0 HG3 LYS A 29 -0.145 8.528 -0.644 1.00 0.82 H new ATOM 0 HD2 LYS A 29 -1.575 10.118 -2.825 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -0.345 10.798 -1.778 1.00 1.00 H new ATOM 0 HE2 LYS A 29 1.384 9.569 -2.757 1.00 2.37 H new ATOM 0 HE3 LYS A 29 0.335 8.240 -3.209 1.00 2.37 H new ATOM 0 HZ1 LYS A 29 1.054 9.478 -5.124 1.00 3.45 H new ATOM 0 HZ2 LYS A 29 -0.628 9.622 -4.934 1.00 3.45 H new ATOM 0 HZ3 LYS A 29 0.389 10.909 -4.496 1.00 3.45 H new ATOM 435 N ARG A 30 -5.041 7.823 -1.406 1.00 0.67 N ATOM 436 CA ARG A 30 -6.216 8.681 -1.322 1.00 0.78 C ATOM 437 C ARG A 30 -6.997 8.484 -0.014 1.00 0.75 C ATOM 438 O ARG A 30 -7.949 9.225 0.230 1.00 0.84 O ATOM 439 CB ARG A 30 -7.121 8.478 -2.555 1.00 0.85 C ATOM 440 CG ARG A 30 -7.060 9.638 -3.553 1.00 1.15 C ATOM 441 CD ARG A 30 -7.609 10.948 -2.961 1.00 2.20 C ATOM 442 NE ARG A 30 -6.538 11.898 -2.611 1.00 3.49 N ATOM 443 CZ ARG A 30 -5.843 12.631 -3.497 1.00 4.36 C ATOM 444 NH1 ARG A 30 -6.066 12.467 -4.806 1.00 4.69 N ATOM 445 NH2 ARG A 30 -4.933 13.515 -3.075 1.00 5.65 N ATOM 0 H ARG A 30 -5.107 7.085 -2.107 1.00 0.67 H new ATOM 0 HA ARG A 30 -5.865 9.713 -1.316 1.00 0.78 H new ATOM 0 HB2 ARG A 30 -6.831 7.557 -3.061 1.00 0.85 H new ATOM 0 HB3 ARG A 30 -8.151 8.348 -2.223 1.00 0.85 H new ATOM 0 HG2 ARG A 30 -6.028 9.789 -3.868 1.00 1.15 H new ATOM 0 HG3 ARG A 30 -7.631 9.378 -4.444 1.00 1.15 H new ATOM 0 HD2 ARG A 30 -8.284 11.414 -3.679 1.00 2.20 H new ATOM 0 HD3 ARG A 30 -8.197 10.723 -2.071 1.00 2.20 H new ATOM 0 HE ARG A 30 -6.307 12.007 -1.623 1.00 3.49 H new ATOM 0 HH11 ARG A 30 -6.759 11.790 -5.124 1.00 4.69 H new ATOM 0 HH12 ARG A 30 -5.543 13.019 -5.486 1.00 4.69 H new ATOM 0 HH21 ARG A 30 -4.764 13.635 -2.076 1.00 5.65 H new ATOM 0 HH22 ARG A 30 -4.408 14.069 -3.752 1.00 5.65 H new ATOM 459 N MET A 31 -6.644 7.491 0.809 1.00 0.65 N ATOM 460 CA MET A 31 -7.402 7.154 2.003 1.00 0.59 C ATOM 461 C MET A 31 -7.063 8.121 3.142 1.00 0.45 C ATOM 462 O MET A 31 -5.931 8.605 3.219 1.00 0.43 O ATOM 463 CB MET A 31 -7.104 5.698 2.387 1.00 0.63 C ATOM 464 CG MET A 31 -7.393 4.773 1.201 1.00 1.95 C ATOM 465 SD MET A 31 -9.114 4.704 0.659 1.00 3.54 S ATOM 466 CE MET A 31 -8.844 4.009 -0.983 1.00 4.74 C ATOM 0 H MET A 31 -5.824 6.903 0.660 1.00 0.65 H new ATOM 0 HA MET A 31 -8.470 7.252 1.807 1.00 0.59 H new ATOM 0 HB2 MET A 31 -6.062 5.599 2.690 1.00 0.63 H new ATOM 0 HB3 MET A 31 -7.713 5.407 3.243 1.00 0.63 H new ATOM 0 HG2 MET A 31 -6.779 5.091 0.358 1.00 1.95 H new ATOM 0 HG3 MET A 31 -7.074 3.765 1.465 1.00 1.95 H new ATOM 0 HE1 MET A 31 -9.743 3.485 -1.309 1.00 4.74 H new ATOM 0 HE2 MET A 31 -8.618 4.811 -1.685 1.00 4.74 H new ATOM 0 HE3 MET A 31 -8.008 3.310 -0.949 1.00 4.74 H new ATOM 476 N PRO A 32 -8.025 8.410 4.034 1.00 0.55 N ATOM 477 CA PRO A 32 -7.771 9.249 5.191 1.00 0.52 C ATOM 478 C PRO A 32 -6.617 8.647 5.990 1.00 0.50 C ATOM 479 O PRO A 32 -6.525 7.427 6.136 1.00 0.63 O ATOM 480 CB PRO A 32 -9.085 9.294 5.979 1.00 0.72 C ATOM 481 CG PRO A 32 -9.797 8.009 5.560 1.00 0.88 C ATOM 482 CD PRO A 32 -9.361 7.835 4.106 1.00 0.80 C ATOM 0 HA PRO A 32 -7.473 10.265 4.932 1.00 0.52 H new ATOM 0 HB2 PRO A 32 -8.907 9.322 7.054 1.00 0.72 H new ATOM 0 HB3 PRO A 32 -9.672 10.178 5.730 1.00 0.72 H new ATOM 0 HG2 PRO A 32 -9.496 7.161 6.176 1.00 0.88 H new ATOM 0 HG3 PRO A 32 -10.880 8.100 5.649 1.00 0.88 H new ATOM 0 HD2 PRO A 32 -9.352 6.783 3.821 1.00 0.80 H new ATOM 0 HD3 PRO A 32 -10.045 8.343 3.427 1.00 0.80 H new ATOM 490 N GLY A 33 -5.704 9.501 6.448 1.00 0.49 N ATOM 491 CA GLY A 33 -4.557 9.079 7.226 1.00 0.54 C ATOM 492 C GLY A 33 -3.322 8.759 6.399 1.00 0.48 C ATOM 493 O GLY A 33 -2.288 8.486 7.001 1.00 0.88 O ATOM 0 H GLY A 33 -5.745 10.507 6.286 1.00 0.49 H new ATOM 0 HA2 GLY A 33 -4.308 9.864 7.940 1.00 0.54 H new ATOM 0 HA3 GLY A 33 -4.830 8.197 7.805 1.00 0.54 H new ATOM 497 N VAL A 34 -3.402 8.740 5.063 1.00 0.51 N ATOM 498 CA VAL A 34 -2.246 8.498 4.218 1.00 0.43 C ATOM 499 C VAL A 34 -1.885 9.784 3.487 1.00 0.45 C ATOM 500 O VAL A 34 -2.760 10.468 2.961 1.00 0.64 O ATOM 501 CB VAL A 34 -2.505 7.332 3.255 1.00 0.45 C ATOM 502 CG1 VAL A 34 -1.192 6.995 2.537 1.00 0.44 C ATOM 503 CG2 VAL A 34 -3.013 6.103 4.020 1.00 0.55 C ATOM 0 H VAL A 34 -4.269 8.892 4.548 1.00 0.51 H new ATOM 0 HA VAL A 34 -1.395 8.204 4.833 1.00 0.43 H new ATOM 0 HB VAL A 34 -3.268 7.619 2.531 1.00 0.45 H new ATOM 0 HG11 VAL A 34 -1.357 6.167 1.847 1.00 0.44 H new ATOM 0 HG12 VAL A 34 -0.847 7.867 1.982 1.00 0.44 H new ATOM 0 HG13 VAL A 34 -0.438 6.711 3.271 1.00 0.44 H new ATOM 0 HG21 VAL A 34 -3.191 5.287 3.320 1.00 0.55 H new ATOM 0 HG22 VAL A 34 -2.267 5.796 4.753 1.00 0.55 H new ATOM 0 HG23 VAL A 34 -3.943 6.352 4.531 1.00 0.55 H new ATOM 513 N THR A 35 -0.589 10.100 3.459 1.00 0.40 N ATOM 514 CA THR A 35 -0.077 11.323 2.871 1.00 0.50 C ATOM 515 C THR A 35 0.640 11.016 1.552 1.00 0.52 C ATOM 516 O THR A 35 0.328 11.648 0.542 1.00 0.60 O ATOM 517 CB THR A 35 0.767 12.059 3.911 1.00 0.58 C ATOM 518 OG1 THR A 35 -0.086 12.645 4.883 1.00 1.12 O ATOM 519 CG2 THR A 35 1.657 13.127 3.274 1.00 0.79 C ATOM 0 H THR A 35 0.138 9.501 3.851 1.00 0.40 H new ATOM 0 HA THR A 35 -0.884 12.003 2.599 1.00 0.50 H new ATOM 0 HB THR A 35 1.426 11.333 4.387 1.00 0.58 H new ATOM 0 HG1 THR A 35 -0.169 12.042 5.651 1.00 1.12 H new ATOM 0 HG21 THR A 35 2.239 13.625 4.049 1.00 0.79 H new ATOM 0 HG22 THR A 35 2.332 12.658 2.558 1.00 0.79 H new ATOM 0 HG23 THR A 35 1.035 13.860 2.760 1.00 0.79 H new ATOM 527 N ASP A 36 1.562 10.040 1.526 1.00 0.53 N ATOM 528 CA ASP A 36 2.259 9.626 0.316 1.00 0.64 C ATOM 529 C ASP A 36 2.400 8.112 0.245 1.00 0.54 C ATOM 530 O ASP A 36 2.175 7.414 1.232 1.00 0.40 O ATOM 531 CB ASP A 36 3.602 10.344 0.135 1.00 0.83 C ATOM 532 CG ASP A 36 3.751 10.768 -1.316 1.00 1.09 C ATOM 533 OD1 ASP A 36 3.606 9.857 -2.164 1.00 2.05 O ATOM 534 OD2 ASP A 36 3.950 11.975 -1.561 1.00 1.90 O ATOM 0 H ASP A 36 1.841 9.517 2.356 1.00 0.53 H new ATOM 0 HA ASP A 36 1.639 9.932 -0.527 1.00 0.64 H new ATOM 0 HB2 ASP A 36 3.653 11.215 0.788 1.00 0.83 H new ATOM 0 HB3 ASP A 36 4.422 9.684 0.419 1.00 0.83 H new ATOM 539 N ALA A 37 2.713 7.594 -0.942 1.00 0.64 N ATOM 540 CA ALA A 37 2.866 6.157 -1.153 1.00 0.63 C ATOM 541 C ALA A 37 3.688 5.816 -2.397 1.00 0.70 C ATOM 542 O ALA A 37 3.592 6.496 -3.422 1.00 0.77 O ATOM 543 CB ALA A 37 1.497 5.475 -1.184 1.00 0.63 C ATOM 0 H ALA A 37 2.867 8.156 -1.779 1.00 0.64 H new ATOM 0 HA ALA A 37 3.434 5.770 -0.307 1.00 0.63 H new ATOM 0 HB1 ALA A 37 1.627 4.404 -1.342 1.00 0.63 H new ATOM 0 HB2 ALA A 37 0.986 5.642 -0.236 1.00 0.63 H new ATOM 0 HB3 ALA A 37 0.901 5.892 -1.996 1.00 0.63 H new ATOM 549 N ASN A 38 4.483 4.742 -2.324 1.00 0.66 N ATOM 550 CA ASN A 38 5.560 4.465 -3.262 1.00 0.73 C ATOM 551 C ASN A 38 5.717 2.949 -3.365 1.00 0.60 C ATOM 552 O ASN A 38 6.238 2.303 -2.457 1.00 0.54 O ATOM 553 CB ASN A 38 6.899 5.125 -2.851 1.00 0.81 C ATOM 554 CG ASN A 38 6.911 5.887 -1.524 1.00 0.81 C ATOM 555 OD1 ASN A 38 7.254 7.062 -1.483 1.00 1.00 O ATOM 556 ND2 ASN A 38 6.556 5.232 -0.423 1.00 0.67 N ATOM 0 H ASN A 38 4.389 4.033 -1.597 1.00 0.66 H new ATOM 0 HA ASN A 38 5.299 4.896 -4.229 1.00 0.73 H new ATOM 0 HB2 ASN A 38 7.661 4.347 -2.804 1.00 0.81 H new ATOM 0 HB3 ASN A 38 7.195 5.814 -3.642 1.00 0.81 H new ATOM 0 HD21 ASN A 38 6.566 5.708 0.479 1.00 0.67 H new ATOM 0 HD22 ASN A 38 6.274 4.254 -0.480 1.00 0.67 H new ATOM 563 N VAL A 39 5.258 2.380 -4.479 1.00 0.58 N ATOM 564 CA VAL A 39 5.333 0.950 -4.727 1.00 0.46 C ATOM 565 C VAL A 39 6.715 0.572 -5.297 1.00 0.37 C ATOM 566 O VAL A 39 6.974 0.731 -6.490 1.00 0.45 O ATOM 567 CB VAL A 39 4.145 0.549 -5.621 1.00 0.59 C ATOM 568 CG1 VAL A 39 4.021 1.380 -6.908 1.00 1.02 C ATOM 569 CG2 VAL A 39 4.178 -0.945 -5.928 1.00 0.72 C ATOM 0 H VAL A 39 4.822 2.906 -5.236 1.00 0.58 H new ATOM 0 HA VAL A 39 5.246 0.382 -3.801 1.00 0.46 H new ATOM 0 HB VAL A 39 3.248 0.773 -5.044 1.00 0.59 H new ATOM 0 HG11 VAL A 39 3.161 1.036 -7.482 1.00 1.02 H new ATOM 0 HG12 VAL A 39 3.889 2.431 -6.651 1.00 1.02 H new ATOM 0 HG13 VAL A 39 4.925 1.263 -7.505 1.00 1.02 H new ATOM 0 HG21 VAL A 39 3.329 -1.205 -6.561 1.00 0.72 H new ATOM 0 HG22 VAL A 39 5.105 -1.190 -6.446 1.00 0.72 H new ATOM 0 HG23 VAL A 39 4.123 -1.509 -4.997 1.00 0.72 H new ATOM 579 N ASN A 40 7.622 0.036 -4.474 1.00 0.46 N ATOM 580 CA ASN A 40 8.964 -0.357 -4.910 1.00 0.39 C ATOM 581 C ASN A 40 8.933 -1.751 -5.560 1.00 0.29 C ATOM 582 O ASN A 40 9.651 -2.679 -5.174 1.00 0.23 O ATOM 583 CB ASN A 40 9.921 -0.295 -3.712 1.00 0.44 C ATOM 584 CG ASN A 40 11.363 -0.620 -4.100 1.00 0.61 C ATOM 585 OD1 ASN A 40 11.724 -0.606 -5.273 1.00 0.63 O ATOM 586 ND2 ASN A 40 12.207 -0.911 -3.114 1.00 1.05 N ATOM 0 H ASN A 40 7.445 -0.138 -3.485 1.00 0.46 H new ATOM 0 HA ASN A 40 9.326 0.335 -5.670 1.00 0.39 H new ATOM 0 HB2 ASN A 40 9.882 0.701 -3.271 1.00 0.44 H new ATOM 0 HB3 ASN A 40 9.587 -0.996 -2.947 1.00 0.44 H new ATOM 0 HD21 ASN A 40 13.181 -1.130 -3.324 1.00 1.05 H new ATOM 0 HD22 ASN A 40 11.880 -0.915 -2.148 1.00 1.05 H new ATOM 593 N LEU A 41 8.112 -1.876 -6.603 1.00 0.39 N ATOM 594 CA LEU A 41 7.977 -3.089 -7.406 1.00 0.48 C ATOM 595 C LEU A 41 9.157 -3.253 -8.358 1.00 0.72 C ATOM 596 O LEU A 41 9.340 -4.323 -8.927 1.00 1.03 O ATOM 597 CB LEU A 41 6.661 -3.046 -8.188 1.00 0.60 C ATOM 598 CG LEU A 41 5.580 -4.002 -7.661 1.00 0.66 C ATOM 599 CD1 LEU A 41 5.779 -5.416 -8.211 1.00 0.87 C ATOM 600 CD2 LEU A 41 5.483 -4.080 -6.133 1.00 0.99 C ATOM 0 H LEU A 41 7.508 -1.117 -6.920 1.00 0.39 H new ATOM 0 HA LEU A 41 7.969 -3.949 -6.736 1.00 0.48 H new ATOM 0 HB2 LEU A 41 6.272 -2.028 -8.165 1.00 0.60 H new ATOM 0 HB3 LEU A 41 6.864 -3.286 -9.232 1.00 0.60 H new ATOM 0 HG LEU A 41 4.644 -3.573 -8.019 1.00 0.66 H new ATOM 0 HD11 LEU A 41 5.000 -6.071 -7.821 1.00 0.87 H new ATOM 0 HD12 LEU A 41 5.724 -5.394 -9.299 1.00 0.87 H new ATOM 0 HD13 LEU A 41 6.755 -5.792 -7.905 1.00 0.87 H new ATOM 0 HD21 LEU A 41 4.694 -4.778 -5.854 1.00 0.99 H new ATOM 0 HD22 LEU A 41 6.433 -4.424 -5.725 1.00 0.99 H new ATOM 0 HD23 LEU A 41 5.253 -3.093 -5.732 1.00 0.99 H new ATOM 612 N ALA A 42 9.970 -2.202 -8.509 1.00 0.71 N ATOM 613 CA ALA A 42 11.270 -2.276 -9.162 1.00 0.87 C ATOM 614 C ALA A 42 12.047 -3.512 -8.709 1.00 0.90 C ATOM 615 O ALA A 42 12.724 -4.135 -9.523 1.00 1.21 O ATOM 616 CB ALA A 42 12.083 -1.019 -8.853 1.00 0.77 C ATOM 0 H ALA A 42 9.736 -1.267 -8.175 1.00 0.71 H new ATOM 0 HA ALA A 42 11.102 -2.349 -10.237 1.00 0.87 H new ATOM 0 HB1 ALA A 42 13.053 -1.083 -9.345 1.00 0.77 H new ATOM 0 HB2 ALA A 42 11.549 -0.141 -9.217 1.00 0.77 H new ATOM 0 HB3 ALA A 42 12.227 -0.935 -7.776 1.00 0.77 H new ATOM 622 N THR A 43 11.939 -3.860 -7.419 1.00 0.76 N ATOM 623 CA THR A 43 12.325 -5.177 -6.938 1.00 1.17 C ATOM 624 C THR A 43 11.069 -6.035 -6.723 1.00 1.73 C ATOM 625 O THR A 43 10.790 -6.893 -7.556 1.00 3.74 O ATOM 626 CB THR A 43 13.320 -5.074 -5.764 1.00 1.16 C ATOM 627 OG1 THR A 43 13.750 -6.356 -5.360 1.00 1.69 O ATOM 628 CG2 THR A 43 12.834 -4.310 -4.526 1.00 1.21 C ATOM 0 H THR A 43 11.584 -3.238 -6.693 1.00 0.76 H new ATOM 0 HA THR A 43 12.900 -5.721 -7.687 1.00 1.17 H new ATOM 0 HB THR A 43 14.136 -4.481 -6.177 1.00 1.16 H new ATOM 0 HG1 THR A 43 14.382 -6.270 -4.616 1.00 1.69 H new ATOM 0 HG21 THR A 43 13.619 -4.305 -3.770 1.00 1.21 H new ATOM 0 HG22 THR A 43 12.591 -3.284 -4.804 1.00 1.21 H new ATOM 0 HG23 THR A 43 11.946 -4.797 -4.124 1.00 1.21 H new ATOM 636 N GLU A 44 10.310 -5.803 -5.642 1.00 0.32 N ATOM 637 CA GLU A 44 9.119 -6.576 -5.268 1.00 0.37 C ATOM 638 C GLU A 44 8.458 -6.088 -3.965 1.00 0.52 C ATOM 639 O GLU A 44 7.822 -6.874 -3.264 1.00 0.89 O ATOM 640 CB GLU A 44 9.441 -8.085 -5.161 1.00 0.38 C ATOM 641 CG GLU A 44 8.350 -8.906 -5.856 1.00 1.14 C ATOM 642 CD GLU A 44 8.481 -10.390 -5.544 1.00 1.88 C ATOM 643 OE1 GLU A 44 8.337 -10.723 -4.349 1.00 3.25 O ATOM 644 OE2 GLU A 44 8.706 -11.157 -6.504 1.00 1.99 O ATOM 0 H GLU A 44 10.515 -5.050 -4.985 1.00 0.32 H new ATOM 0 HA GLU A 44 8.401 -6.415 -6.072 1.00 0.37 H new ATOM 0 HB2 GLU A 44 10.409 -8.292 -5.617 1.00 0.38 H new ATOM 0 HB3 GLU A 44 9.514 -8.376 -4.113 1.00 0.38 H new ATOM 0 HG2 GLU A 44 7.369 -8.552 -5.538 1.00 1.14 H new ATOM 0 HG3 GLU A 44 8.410 -8.754 -6.934 1.00 1.14 H new ATOM 651 N THR A 45 8.612 -4.813 -3.611 1.00 0.31 N ATOM 652 CA THR A 45 8.353 -4.301 -2.278 1.00 0.25 C ATOM 653 C THR A 45 7.424 -3.089 -2.388 1.00 0.21 C ATOM 654 O THR A 45 7.205 -2.567 -3.477 1.00 0.25 O ATOM 655 CB THR A 45 9.730 -3.969 -1.679 1.00 0.37 C ATOM 656 OG1 THR A 45 10.531 -5.134 -1.690 1.00 0.76 O ATOM 657 CG2 THR A 45 9.682 -3.427 -0.256 1.00 0.47 C ATOM 0 H THR A 45 8.928 -4.095 -4.263 1.00 0.31 H new ATOM 0 HA THR A 45 7.846 -5.012 -1.626 1.00 0.25 H new ATOM 0 HB THR A 45 10.147 -3.177 -2.301 1.00 0.37 H new ATOM 0 HG1 THR A 45 10.049 -5.866 -1.252 1.00 0.76 H new ATOM 0 HG21 THR A 45 10.695 -3.220 0.089 1.00 0.47 H new ATOM 0 HG22 THR A 45 9.097 -2.508 -0.236 1.00 0.47 H new ATOM 0 HG23 THR A 45 9.220 -4.165 0.399 1.00 0.47 H new ATOM 665 N VAL A 46 6.859 -2.628 -1.274 1.00 0.34 N ATOM 666 CA VAL A 46 5.967 -1.477 -1.241 1.00 0.34 C ATOM 667 C VAL A 46 6.312 -0.632 -0.020 1.00 0.34 C ATOM 668 O VAL A 46 6.683 -1.203 1.005 1.00 0.35 O ATOM 669 CB VAL A 46 4.509 -1.968 -1.238 1.00 0.37 C ATOM 670 CG1 VAL A 46 4.320 -3.190 -0.342 1.00 0.47 C ATOM 671 CG2 VAL A 46 3.540 -0.890 -0.753 1.00 0.67 C ATOM 0 H VAL A 46 7.012 -3.051 -0.358 1.00 0.34 H new ATOM 0 HA VAL A 46 6.090 -0.849 -2.123 1.00 0.34 H new ATOM 0 HB VAL A 46 4.291 -2.226 -2.274 1.00 0.37 H new ATOM 0 HG11 VAL A 46 3.276 -3.503 -0.369 1.00 0.47 H new ATOM 0 HG12 VAL A 46 4.952 -4.003 -0.698 1.00 0.47 H new ATOM 0 HG13 VAL A 46 4.596 -2.937 0.682 1.00 0.47 H new ATOM 0 HG21 VAL A 46 2.523 -1.282 -0.768 1.00 0.67 H new ATOM 0 HG22 VAL A 46 3.801 -0.597 0.264 1.00 0.67 H new ATOM 0 HG23 VAL A 46 3.604 -0.022 -1.409 1.00 0.67 H new ATOM 681 N ASN A 47 6.190 0.701 -0.127 1.00 0.35 N ATOM 682 CA ASN A 47 6.349 1.623 0.987 1.00 0.35 C ATOM 683 C ASN A 47 5.161 2.577 0.988 1.00 0.32 C ATOM 684 O ASN A 47 4.768 3.047 -0.081 1.00 0.38 O ATOM 685 CB ASN A 47 7.643 2.434 0.833 1.00 0.48 C ATOM 686 CG ASN A 47 8.898 1.667 1.226 1.00 0.51 C ATOM 687 OD1 ASN A 47 9.700 1.292 0.375 1.00 0.56 O ATOM 688 ND2 ASN A 47 9.104 1.474 2.524 1.00 0.52 N ATOM 0 H ASN A 47 5.974 1.166 -1.009 1.00 0.35 H new ATOM 0 HA ASN A 47 6.399 1.062 1.920 1.00 0.35 H new ATOM 0 HB2 ASN A 47 7.736 2.759 -0.203 1.00 0.48 H new ATOM 0 HB3 ASN A 47 7.572 3.334 1.444 1.00 0.48 H new ATOM 0 HD21 ASN A 47 9.950 1.001 2.841 1.00 0.52 H new ATOM 0 HD22 ASN A 47 8.416 1.799 3.203 1.00 0.52 H new ATOM 695 N VAL A 48 4.618 2.908 2.164 1.00 0.30 N ATOM 696 CA VAL A 48 3.488 3.810 2.304 1.00 0.31 C ATOM 697 C VAL A 48 3.890 4.805 3.384 1.00 0.32 C ATOM 698 O VAL A 48 4.345 4.380 4.448 1.00 0.31 O ATOM 699 CB VAL A 48 2.208 3.047 2.684 1.00 0.40 C ATOM 700 CG1 VAL A 48 1.018 4.015 2.699 1.00 2.16 C ATOM 701 CG2 VAL A 48 1.904 1.905 1.706 1.00 1.72 C ATOM 0 H VAL A 48 4.962 2.547 3.054 1.00 0.30 H new ATOM 0 HA VAL A 48 3.259 4.316 1.366 1.00 0.31 H new ATOM 0 HB VAL A 48 2.368 2.615 3.672 1.00 0.40 H new ATOM 0 HG11 VAL A 48 0.111 3.473 2.968 1.00 2.16 H new ATOM 0 HG12 VAL A 48 1.200 4.804 3.429 1.00 2.16 H new ATOM 0 HG13 VAL A 48 0.896 4.457 1.710 1.00 2.16 H new ATOM 0 HG21 VAL A 48 0.991 1.395 2.015 1.00 1.72 H new ATOM 0 HG22 VAL A 48 1.772 2.311 0.703 1.00 1.72 H new ATOM 0 HG23 VAL A 48 2.733 1.197 1.705 1.00 1.72 H new ATOM 711 N ILE A 49 3.769 6.099 3.077 1.00 0.37 N ATOM 712 CA ILE A 49 4.146 7.197 3.944 1.00 0.39 C ATOM 713 C ILE A 49 2.852 7.750 4.550 1.00 0.33 C ATOM 714 O ILE A 49 2.164 8.577 3.942 1.00 0.41 O ATOM 715 CB ILE A 49 4.910 8.278 3.153 1.00 0.52 C ATOM 716 CG1 ILE A 49 5.953 7.718 2.168 1.00 0.63 C ATOM 717 CG2 ILE A 49 5.543 9.288 4.119 1.00 0.59 C ATOM 718 CD1 ILE A 49 7.012 6.818 2.810 1.00 0.62 C ATOM 0 H ILE A 49 3.391 6.413 2.183 1.00 0.37 H new ATOM 0 HA ILE A 49 4.818 6.861 4.734 1.00 0.39 H new ATOM 0 HB ILE A 49 4.172 8.782 2.529 1.00 0.52 H new ATOM 0 HG12 ILE A 49 5.436 7.153 1.393 1.00 0.63 H new ATOM 0 HG13 ILE A 49 6.453 8.552 1.675 1.00 0.63 H new ATOM 0 HG21 ILE A 49 6.080 10.047 3.551 1.00 0.59 H new ATOM 0 HG22 ILE A 49 4.762 9.764 4.712 1.00 0.59 H new ATOM 0 HG23 ILE A 49 6.237 8.772 4.782 1.00 0.59 H new ATOM 0 HD11 ILE A 49 7.705 6.468 2.045 1.00 0.62 H new ATOM 0 HD12 ILE A 49 7.560 7.382 3.565 1.00 0.62 H new ATOM 0 HD13 ILE A 49 6.526 5.962 3.278 1.00 0.62 H new ATOM 730 N TYR A 50 2.481 7.255 5.730 1.00 0.25 N ATOM 731 CA TYR A 50 1.179 7.536 6.313 1.00 0.20 C ATOM 732 C TYR A 50 1.328 8.070 7.716 1.00 0.24 C ATOM 733 O TYR A 50 2.423 8.068 8.278 1.00 0.32 O ATOM 734 CB TYR A 50 0.267 6.308 6.260 1.00 0.20 C ATOM 735 CG TYR A 50 0.656 5.093 7.082 1.00 0.23 C ATOM 736 CD1 TYR A 50 0.541 5.120 8.485 1.00 1.68 C ATOM 737 CD2 TYR A 50 0.835 3.858 6.434 1.00 1.51 C ATOM 738 CE1 TYR A 50 0.671 3.939 9.230 1.00 1.76 C ATOM 739 CE2 TYR A 50 0.795 2.661 7.168 1.00 1.49 C ATOM 740 CZ TYR A 50 0.739 2.705 8.569 1.00 0.50 C ATOM 741 OH TYR A 50 0.692 1.549 9.289 1.00 0.68 O ATOM 0 H TYR A 50 3.073 6.653 6.302 1.00 0.25 H new ATOM 0 HA TYR A 50 0.698 8.311 5.716 1.00 0.20 H new ATOM 0 HB2 TYR A 50 -0.729 6.619 6.575 1.00 0.20 H new ATOM 0 HB3 TYR A 50 0.189 5.995 5.219 1.00 0.20 H new ATOM 0 HD1 TYR A 50 0.352 6.056 8.990 1.00 1.68 H new ATOM 0 HD2 TYR A 50 1.004 3.830 5.368 1.00 1.51 H new ATOM 0 HE1 TYR A 50 0.718 3.980 10.308 1.00 1.76 H new ATOM 0 HE2 TYR A 50 0.807 1.710 6.656 1.00 1.49 H new ATOM 0 HH TYR A 50 1.082 1.700 10.176 1.00 0.68 H new ATOM 751 N ASP A 51 0.223 8.575 8.246 1.00 0.28 N ATOM 752 CA ASP A 51 0.158 9.208 9.543 1.00 0.44 C ATOM 753 C ASP A 51 -0.380 8.196 10.572 1.00 0.60 C ATOM 754 O ASP A 51 -1.590 7.945 10.597 1.00 0.73 O ATOM 755 CB ASP A 51 -0.711 10.470 9.444 1.00 0.64 C ATOM 756 CG ASP A 51 -0.221 11.524 8.443 1.00 2.76 C ATOM 757 OD1 ASP A 51 -0.249 11.255 7.217 1.00 4.39 O ATOM 758 OD2 ASP A 51 0.147 12.614 8.930 1.00 3.31 O ATOM 0 H ASP A 51 -0.677 8.552 7.766 1.00 0.28 H new ATOM 0 HA ASP A 51 1.148 9.519 9.878 1.00 0.44 H new ATOM 0 HB2 ASP A 51 -1.723 10.174 9.169 1.00 0.64 H new ATOM 0 HB3 ASP A 51 -0.770 10.929 10.431 1.00 0.64 H new ATOM 763 N PRO A 52 0.463 7.596 11.441 1.00 0.67 N ATOM 764 CA PRO A 52 0.058 6.516 12.340 1.00 0.81 C ATOM 765 C PRO A 52 -0.827 6.982 13.507 1.00 0.94 C ATOM 766 O PRO A 52 -1.064 6.213 14.435 1.00 1.06 O ATOM 767 CB PRO A 52 1.361 5.901 12.859 1.00 0.91 C ATOM 768 CG PRO A 52 2.286 7.110 12.889 1.00 0.88 C ATOM 769 CD PRO A 52 1.887 7.842 11.609 1.00 0.64 C ATOM 0 HA PRO A 52 -0.560 5.799 11.799 1.00 0.81 H new ATOM 0 HB2 PRO A 52 1.238 5.456 13.846 1.00 0.91 H new ATOM 0 HB3 PRO A 52 1.734 5.117 12.200 1.00 0.91 H new ATOM 0 HG2 PRO A 52 2.129 7.723 13.776 1.00 0.88 H new ATOM 0 HG3 PRO A 52 3.337 6.821 12.884 1.00 0.88 H new ATOM 0 HD2 PRO A 52 2.093 8.909 11.688 1.00 0.64 H new ATOM 0 HD3 PRO A 52 2.452 7.471 10.754 1.00 0.64 H new ATOM 777 N ALA A 53 -1.311 8.229 13.484 1.00 0.97 N ATOM 778 CA ALA A 53 -2.348 8.693 14.383 1.00 1.11 C ATOM 779 C ALA A 53 -3.712 8.362 13.778 1.00 1.05 C ATOM 780 O ALA A 53 -4.687 8.242 14.517 1.00 1.23 O ATOM 781 CB ALA A 53 -2.195 10.202 14.587 1.00 1.21 C ATOM 0 H ALA A 53 -0.985 8.942 12.832 1.00 0.97 H new ATOM 0 HA ALA A 53 -2.264 8.200 15.352 1.00 1.11 H new ATOM 0 HB1 ALA A 53 -2.972 10.558 15.263 1.00 1.21 H new ATOM 0 HB2 ALA A 53 -1.216 10.414 15.017 1.00 1.21 H new ATOM 0 HB3 ALA A 53 -2.288 10.710 13.627 1.00 1.21 H new ATOM 787 N GLU A 54 -3.777 8.244 12.443 1.00 0.83 N ATOM 788 CA GLU A 54 -5.010 8.028 11.711 1.00 0.78 C ATOM 789 C GLU A 54 -4.988 6.625 11.091 1.00 0.59 C ATOM 790 O GLU A 54 -5.896 5.834 11.340 1.00 0.68 O ATOM 791 CB GLU A 54 -5.182 9.124 10.650 1.00 0.86 C ATOM 792 CG GLU A 54 -6.392 10.026 10.905 1.00 0.80 C ATOM 793 CD GLU A 54 -6.541 11.046 9.783 1.00 1.82 C ATOM 794 OE1 GLU A 54 -7.190 10.695 8.774 1.00 3.07 O ATOM 795 OE2 GLU A 54 -5.975 12.148 9.941 1.00 2.62 O ATOM 0 H GLU A 54 -2.954 8.299 11.843 1.00 0.83 H new ATOM 0 HA GLU A 54 -5.866 8.087 12.383 1.00 0.78 H new ATOM 0 HB2 GLU A 54 -4.281 9.736 10.620 1.00 0.86 H new ATOM 0 HB3 GLU A 54 -5.284 8.659 9.670 1.00 0.86 H new ATOM 0 HG2 GLU A 54 -7.296 9.421 10.977 1.00 0.80 H new ATOM 0 HG3 GLU A 54 -6.276 10.540 11.859 1.00 0.80 H new ATOM 802 N THR A 55 -3.952 6.308 10.298 1.00 0.43 N ATOM 803 CA THR A 55 -3.664 4.924 9.919 1.00 0.38 C ATOM 804 C THR A 55 -2.710 4.276 10.920 1.00 0.41 C ATOM 805 O THR A 55 -2.655 4.709 12.068 1.00 0.68 O ATOM 806 CB THR A 55 -3.357 4.763 8.423 1.00 0.35 C ATOM 807 OG1 THR A 55 -2.499 5.777 8.003 1.00 0.47 O ATOM 808 CG2 THR A 55 -4.669 4.833 7.656 1.00 0.46 C ATOM 0 H THR A 55 -3.304 6.993 9.910 1.00 0.43 H new ATOM 0 HA THR A 55 -4.570 4.323 10.005 1.00 0.38 H new ATOM 0 HB THR A 55 -2.870 3.805 8.239 1.00 0.35 H new ATOM 0 HG1 THR A 55 -1.571 5.508 8.166 1.00 0.47 H new ATOM 0 HG21 THR A 55 -4.473 4.721 6.590 1.00 0.46 H new ATOM 0 HG22 THR A 55 -5.329 4.032 7.990 1.00 0.46 H new ATOM 0 HG23 THR A 55 -5.146 5.796 7.838 1.00 0.46 H new ATOM 816 N GLY A 56 -2.036 3.186 10.545 1.00 0.51 N ATOM 817 CA GLY A 56 -1.672 2.158 11.493 1.00 0.65 C ATOM 818 C GLY A 56 -2.392 0.916 10.991 1.00 1.06 C ATOM 819 O GLY A 56 -3.501 0.656 11.435 1.00 2.34 O ATOM 0 H GLY A 56 -1.736 3.003 9.588 1.00 0.51 H new ATOM 0 HA2 GLY A 56 -0.593 2.008 11.523 1.00 0.65 H new ATOM 0 HA3 GLY A 56 -1.986 2.419 12.504 1.00 0.65 H new ATOM 823 N THR A 57 -1.713 0.184 10.100 1.00 0.60 N ATOM 824 CA THR A 57 -1.988 -0.662 8.933 1.00 0.75 C ATOM 825 C THR A 57 -3.419 -1.100 8.643 1.00 0.51 C ATOM 826 O THR A 57 -3.717 -1.440 7.500 1.00 0.52 O ATOM 827 CB THR A 57 -1.147 -1.940 9.111 1.00 1.00 C ATOM 828 OG1 THR A 57 -1.451 -2.534 10.358 1.00 1.07 O ATOM 829 CG2 THR A 57 0.360 -1.674 9.055 1.00 1.25 C ATOM 0 H THR A 57 -0.701 0.179 10.225 1.00 0.60 H new ATOM 0 HA THR A 57 -1.746 -0.024 8.083 1.00 0.75 H new ATOM 0 HB THR A 57 -1.400 -2.602 8.283 1.00 1.00 H new ATOM 0 HG1 THR A 57 -0.918 -3.348 10.471 1.00 1.07 H new ATOM 0 HG21 THR A 57 0.900 -2.612 9.186 1.00 1.25 H new ATOM 0 HG22 THR A 57 0.617 -1.239 8.089 1.00 1.25 H new ATOM 0 HG23 THR A 57 0.637 -0.981 9.850 1.00 1.25 H new ATOM 837 N ALA A 58 -4.301 -1.023 9.624 1.00 0.44 N ATOM 838 CA ALA A 58 -5.735 -1.111 9.521 1.00 0.50 C ATOM 839 C ALA A 58 -6.296 -0.667 8.176 1.00 0.49 C ATOM 840 O ALA A 58 -6.885 -1.478 7.459 1.00 0.49 O ATOM 841 CB ALA A 58 -6.299 -0.242 10.648 1.00 0.61 C ATOM 0 H ALA A 58 -4.001 -0.886 10.589 1.00 0.44 H new ATOM 0 HA ALA A 58 -6.029 -2.157 9.606 1.00 0.50 H new ATOM 0 HB1 ALA A 58 -7.388 -0.271 10.619 1.00 0.61 H new ATOM 0 HB2 ALA A 58 -5.951 -0.622 11.609 1.00 0.61 H new ATOM 0 HB3 ALA A 58 -5.960 0.786 10.520 1.00 0.61 H new ATOM 847 N ALA A 59 -6.114 0.607 7.819 1.00 0.49 N ATOM 848 CA ALA A 59 -6.875 1.105 6.664 1.00 0.46 C ATOM 849 C ALA A 59 -6.293 0.517 5.392 1.00 0.38 C ATOM 850 O ALA A 59 -7.007 0.118 4.473 1.00 0.32 O ATOM 851 CB ALA A 59 -6.931 2.625 6.571 1.00 0.55 C ATOM 0 H ALA A 59 -5.492 1.275 8.274 1.00 0.49 H new ATOM 0 HA ALA A 59 -7.907 0.781 6.800 1.00 0.46 H new ATOM 0 HB1 ALA A 59 -7.509 2.915 5.694 1.00 0.55 H new ATOM 0 HB2 ALA A 59 -7.404 3.027 7.467 1.00 0.55 H new ATOM 0 HB3 ALA A 59 -5.919 3.022 6.486 1.00 0.55 H new ATOM 857 N ILE A 60 -4.962 0.479 5.377 1.00 0.43 N ATOM 858 CA ILE A 60 -4.181 -0.088 4.311 1.00 0.40 C ATOM 859 C ILE A 60 -4.634 -1.510 4.052 1.00 0.36 C ATOM 860 O ILE A 60 -4.944 -1.806 2.912 1.00 0.33 O ATOM 861 CB ILE A 60 -2.683 0.034 4.660 1.00 0.43 C ATOM 862 CG1 ILE A 60 -2.191 1.405 4.192 1.00 0.44 C ATOM 863 CG2 ILE A 60 -1.799 -1.046 4.029 1.00 0.45 C ATOM 864 CD1 ILE A 60 -2.402 2.507 5.236 1.00 0.89 C ATOM 0 H ILE A 60 -4.393 0.856 6.135 1.00 0.43 H new ATOM 0 HA ILE A 60 -4.332 0.457 3.379 1.00 0.40 H new ATOM 0 HB ILE A 60 -2.601 -0.094 5.739 1.00 0.43 H new ATOM 0 HG12 ILE A 60 -1.130 1.341 3.950 1.00 0.44 H new ATOM 0 HG13 ILE A 60 -2.712 1.678 3.274 1.00 0.44 H new ATOM 0 HG21 ILE A 60 -0.762 -0.886 4.325 1.00 0.45 H new ATOM 0 HG22 ILE A 60 -2.126 -2.029 4.369 1.00 0.45 H new ATOM 0 HG23 ILE A 60 -1.878 -0.993 2.943 1.00 0.45 H new ATOM 0 HD11 ILE A 60 -2.033 3.455 4.844 1.00 0.89 H new ATOM 0 HD12 ILE A 60 -3.465 2.597 5.461 1.00 0.89 H new ATOM 0 HD13 ILE A 60 -1.859 2.254 6.147 1.00 0.89 H new ATOM 876 N GLN A 61 -4.698 -2.374 5.070 1.00 0.40 N ATOM 877 CA GLN A 61 -5.061 -3.774 4.869 1.00 0.41 C ATOM 878 C GLN A 61 -6.497 -3.847 4.333 1.00 0.38 C ATOM 879 O GLN A 61 -6.758 -4.532 3.344 1.00 0.38 O ATOM 880 CB GLN A 61 -4.909 -4.585 6.166 1.00 0.52 C ATOM 881 CG GLN A 61 -3.853 -5.700 6.082 1.00 0.68 C ATOM 882 CD GLN A 61 -2.416 -5.231 6.305 1.00 1.09 C ATOM 883 OE1 GLN A 61 -2.151 -3.932 6.227 1.00 1.70 O flip ATOM 884 NE2 GLN A 61 -1.531 -6.039 6.567 1.00 1.28 N flip ATOM 0 H GLN A 61 -4.503 -2.125 6.040 1.00 0.40 H new ATOM 0 HA GLN A 61 -4.382 -4.217 4.140 1.00 0.41 H new ATOM 0 HB2 GLN A 61 -4.644 -3.908 6.978 1.00 0.52 H new ATOM 0 HB3 GLN A 61 -5.872 -5.028 6.421 1.00 0.52 H new ATOM 0 HG2 GLN A 61 -4.091 -6.465 6.821 1.00 0.68 H new ATOM 0 HG3 GLN A 61 -3.919 -6.173 5.102 1.00 0.68 H new ATOM 0 HE21 GLN A 61 -1.749 -7.034 6.624 1.00 1.28 H new ATOM 0 HE22 GLN A 61 -0.577 -5.716 6.728 1.00 1.28 H new ATOM 893 N GLU A 62 -7.415 -3.116 4.980 1.00 0.37 N ATOM 894 CA GLU A 62 -8.806 -3.032 4.551 1.00 0.37 C ATOM 895 C GLU A 62 -8.893 -2.753 3.051 1.00 0.35 C ATOM 896 O GLU A 62 -9.529 -3.476 2.280 1.00 0.40 O ATOM 897 CB GLU A 62 -9.542 -1.932 5.347 1.00 0.36 C ATOM 898 CG GLU A 62 -10.565 -2.523 6.320 1.00 0.50 C ATOM 899 CD GLU A 62 -11.656 -3.271 5.572 1.00 1.74 C ATOM 900 OE1 GLU A 62 -12.415 -2.659 4.790 1.00 2.69 O ATOM 901 OE2 GLU A 62 -11.727 -4.511 5.671 1.00 3.29 O ATOM 0 H GLU A 62 -7.208 -2.568 5.815 1.00 0.37 H new ATOM 0 HA GLU A 62 -9.287 -3.990 4.748 1.00 0.37 H new ATOM 0 HB2 GLU A 62 -8.816 -1.336 5.900 1.00 0.36 H new ATOM 0 HB3 GLU A 62 -10.046 -1.258 4.655 1.00 0.36 H new ATOM 0 HG2 GLU A 62 -10.065 -3.199 7.013 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -11.008 -1.726 6.916 1.00 0.50 H new ATOM 908 N LYS A 63 -8.260 -1.664 2.628 1.00 0.32 N ATOM 909 CA LYS A 63 -8.320 -1.236 1.265 1.00 0.35 C ATOM 910 C LYS A 63 -7.546 -2.161 0.342 1.00 0.32 C ATOM 911 O LYS A 63 -8.024 -2.430 -0.749 1.00 0.37 O ATOM 912 CB LYS A 63 -7.836 0.199 1.212 1.00 0.40 C ATOM 913 CG LYS A 63 -8.892 1.172 1.756 1.00 0.55 C ATOM 914 CD LYS A 63 -10.089 1.489 0.836 1.00 0.86 C ATOM 915 CE LYS A 63 -11.172 0.412 0.671 1.00 2.02 C ATOM 916 NZ LYS A 63 -12.462 0.985 0.231 1.00 2.62 N ATOM 0 H LYS A 63 -7.696 -1.065 3.231 1.00 0.32 H new ATOM 0 HA LYS A 63 -9.346 -1.281 0.899 1.00 0.35 H new ATOM 0 HB2 LYS A 63 -6.918 0.296 1.792 1.00 0.40 H new ATOM 0 HB3 LYS A 63 -7.592 0.464 0.183 1.00 0.40 H new ATOM 0 HG2 LYS A 63 -9.280 0.764 2.689 1.00 0.55 H new ATOM 0 HG3 LYS A 63 -8.394 2.110 2.001 1.00 0.55 H new ATOM 0 HD2 LYS A 63 -10.570 2.392 1.212 1.00 0.86 H new ATOM 0 HD3 LYS A 63 -9.697 1.724 -0.154 1.00 0.86 H new ATOM 0 HE2 LYS A 63 -10.838 -0.329 -0.055 1.00 2.02 H new ATOM 0 HE3 LYS A 63 -11.311 -0.110 1.618 1.00 2.02 H new ATOM 0 HZ1 LYS A 63 -13.164 0.224 0.132 1.00 2.62 H new ATOM 0 HZ2 LYS A 63 -12.794 1.674 0.936 1.00 2.62 H new ATOM 0 HZ3 LYS A 63 -12.336 1.461 -0.685 1.00 2.62 H new ATOM 930 N ILE A 64 -6.388 -2.656 0.771 1.00 0.28 N ATOM 931 CA ILE A 64 -5.596 -3.654 0.074 1.00 0.28 C ATOM 932 C ILE A 64 -6.546 -4.771 -0.401 1.00 0.33 C ATOM 933 O ILE A 64 -6.617 -5.085 -1.592 1.00 0.36 O ATOM 934 CB ILE A 64 -4.494 -4.160 1.026 1.00 0.31 C ATOM 935 CG1 ILE A 64 -3.170 -3.424 0.799 1.00 0.29 C ATOM 936 CG2 ILE A 64 -4.302 -5.672 1.042 1.00 0.44 C ATOM 937 CD1 ILE A 64 -2.444 -3.934 -0.440 1.00 0.42 C ATOM 0 H ILE A 64 -5.963 -2.358 1.649 1.00 0.28 H new ATOM 0 HA ILE A 64 -5.098 -3.246 -0.806 1.00 0.28 H new ATOM 0 HB ILE A 64 -4.858 -3.918 2.024 1.00 0.31 H new ATOM 0 HG12 ILE A 64 -3.361 -2.356 0.694 1.00 0.29 H new ATOM 0 HG13 ILE A 64 -2.530 -3.549 1.673 1.00 0.29 H new ATOM 0 HG21 ILE A 64 -3.506 -5.930 1.741 1.00 0.44 H new ATOM 0 HG22 ILE A 64 -5.229 -6.153 1.354 1.00 0.44 H new ATOM 0 HG23 ILE A 64 -4.033 -6.015 0.043 1.00 0.44 H new ATOM 0 HD11 ILE A 64 -1.510 -3.386 -0.566 1.00 0.42 H new ATOM 0 HD12 ILE A 64 -2.229 -4.996 -0.324 1.00 0.42 H new ATOM 0 HD13 ILE A 64 -3.073 -3.785 -1.318 1.00 0.42 H new ATOM 949 N GLU A 65 -7.318 -5.321 0.547 1.00 0.36 N ATOM 950 CA GLU A 65 -8.314 -6.352 0.291 1.00 0.44 C ATOM 951 C GLU A 65 -9.347 -5.852 -0.719 1.00 0.46 C ATOM 952 O GLU A 65 -9.512 -6.446 -1.782 1.00 0.51 O ATOM 953 CB GLU A 65 -8.987 -6.762 1.609 1.00 0.49 C ATOM 954 CG GLU A 65 -8.098 -7.673 2.462 1.00 0.59 C ATOM 955 CD GLU A 65 -8.302 -9.142 2.118 1.00 0.83 C ATOM 956 OE1 GLU A 65 -9.454 -9.601 2.278 1.00 1.78 O ATOM 957 OE2 GLU A 65 -7.305 -9.772 1.709 1.00 1.98 O ATOM 0 H GLU A 65 -7.261 -5.051 1.529 1.00 0.36 H new ATOM 0 HA GLU A 65 -7.824 -7.228 -0.135 1.00 0.44 H new ATOM 0 HB2 GLU A 65 -9.238 -5.867 2.179 1.00 0.49 H new ATOM 0 HB3 GLU A 65 -9.924 -7.274 1.391 1.00 0.49 H new ATOM 0 HG2 GLU A 65 -7.052 -7.406 2.311 1.00 0.59 H new ATOM 0 HG3 GLU A 65 -8.319 -7.512 3.517 1.00 0.59 H new ATOM 964 N LYS A 66 -10.052 -4.763 -0.399 1.00 0.46 N ATOM 965 CA LYS A 66 -11.134 -4.263 -1.252 1.00 0.54 C ATOM 966 C LYS A 66 -10.662 -3.919 -2.675 1.00 0.54 C ATOM 967 O LYS A 66 -11.430 -4.047 -3.626 1.00 0.61 O ATOM 968 CB LYS A 66 -11.829 -3.062 -0.592 1.00 0.60 C ATOM 969 CG LYS A 66 -13.012 -3.456 0.307 1.00 0.81 C ATOM 970 CD LYS A 66 -12.574 -4.086 1.635 1.00 2.73 C ATOM 971 CE LYS A 66 -13.800 -4.490 2.462 1.00 3.40 C ATOM 972 NZ LYS A 66 -13.414 -5.035 3.777 1.00 5.35 N ATOM 0 H LYS A 66 -9.893 -4.211 0.444 1.00 0.46 H new ATOM 0 HA LYS A 66 -11.856 -5.072 -1.357 1.00 0.54 H new ATOM 0 HB2 LYS A 66 -11.099 -2.511 0.002 1.00 0.60 H new ATOM 0 HB3 LYS A 66 -12.183 -2.385 -1.369 1.00 0.60 H new ATOM 0 HG2 LYS A 66 -13.615 -2.571 0.513 1.00 0.81 H new ATOM 0 HG3 LYS A 66 -13.650 -4.159 -0.229 1.00 0.81 H new ATOM 0 HD2 LYS A 66 -11.952 -4.960 1.443 1.00 2.73 H new ATOM 0 HD3 LYS A 66 -11.964 -3.379 2.197 1.00 2.73 H new ATOM 0 HE2 LYS A 66 -14.446 -3.623 2.602 1.00 3.40 H new ATOM 0 HE3 LYS A 66 -14.379 -5.234 1.915 1.00 3.40 H new ATOM 0 HZ1 LYS A 66 -13.385 -6.073 3.727 1.00 5.35 H new ATOM 0 HZ2 LYS A 66 -12.475 -4.674 4.040 1.00 5.35 H new ATOM 0 HZ3 LYS A 66 -14.110 -4.742 4.492 1.00 5.35 H new ATOM 986 N LEU A 67 -9.415 -3.472 -2.828 1.00 0.49 N ATOM 987 CA LEU A 67 -8.784 -3.178 -4.109 1.00 0.50 C ATOM 988 C LEU A 67 -8.514 -4.462 -4.905 1.00 0.50 C ATOM 989 O LEU A 67 -8.276 -4.391 -6.109 1.00 0.53 O ATOM 990 CB LEU A 67 -7.507 -2.351 -3.890 1.00 0.47 C ATOM 991 CG LEU A 67 -7.828 -0.908 -3.453 1.00 0.54 C ATOM 992 CD1 LEU A 67 -6.636 -0.278 -2.726 1.00 0.50 C ATOM 993 CD2 LEU A 67 -8.180 -0.025 -4.659 1.00 0.65 C ATOM 0 H LEU A 67 -8.798 -3.300 -2.034 1.00 0.49 H new ATOM 0 HA LEU A 67 -9.470 -2.580 -4.709 1.00 0.50 H new ATOM 0 HB2 LEU A 67 -6.888 -2.831 -3.132 1.00 0.47 H new ATOM 0 HB3 LEU A 67 -6.924 -2.331 -4.811 1.00 0.47 H new ATOM 0 HG LEU A 67 -8.684 -0.965 -2.781 1.00 0.54 H new ATOM 0 HD11 LEU A 67 -6.888 0.740 -2.428 1.00 0.50 H new ATOM 0 HD12 LEU A 67 -6.397 -0.867 -1.840 1.00 0.50 H new ATOM 0 HD13 LEU A 67 -5.773 -0.258 -3.392 1.00 0.50 H new ATOM 0 HD21 LEU A 67 -8.401 0.986 -4.317 1.00 0.65 H new ATOM 0 HD22 LEU A 67 -7.337 0.001 -5.349 1.00 0.65 H new ATOM 0 HD23 LEU A 67 -9.052 -0.435 -5.168 1.00 0.65 H new ATOM 1005 N GLY A 68 -8.535 -5.624 -4.246 1.00 0.48 N ATOM 1006 CA GLY A 68 -8.370 -6.927 -4.865 1.00 0.49 C ATOM 1007 C GLY A 68 -6.912 -7.363 -4.802 1.00 0.46 C ATOM 1008 O GLY A 68 -6.384 -7.891 -5.779 1.00 0.46 O ATOM 0 H GLY A 68 -8.672 -5.677 -3.237 1.00 0.48 H new ATOM 0 HA2 GLY A 68 -8.998 -7.660 -4.358 1.00 0.49 H new ATOM 0 HA3 GLY A 68 -8.700 -6.888 -5.903 1.00 0.49 H new ATOM 1012 N TYR A 69 -6.258 -7.132 -3.660 1.00 0.47 N ATOM 1013 CA TYR A 69 -4.845 -7.411 -3.464 1.00 0.44 C ATOM 1014 C TYR A 69 -4.608 -7.975 -2.070 1.00 0.41 C ATOM 1015 O TYR A 69 -5.497 -7.946 -1.224 1.00 0.42 O ATOM 1016 CB TYR A 69 -4.057 -6.111 -3.646 1.00 0.42 C ATOM 1017 CG TYR A 69 -3.240 -6.123 -4.910 1.00 0.43 C ATOM 1018 CD1 TYR A 69 -3.865 -5.898 -6.147 1.00 1.91 C ATOM 1019 CD2 TYR A 69 -1.869 -6.424 -4.858 1.00 1.80 C ATOM 1020 CE1 TYR A 69 -3.103 -5.892 -7.323 1.00 1.98 C ATOM 1021 CE2 TYR A 69 -1.101 -6.367 -6.030 1.00 1.76 C ATOM 1022 CZ TYR A 69 -1.717 -6.114 -7.263 1.00 0.56 C ATOM 1023 OH TYR A 69 -0.979 -6.125 -8.406 1.00 0.72 O ATOM 0 H TYR A 69 -6.710 -6.739 -2.835 1.00 0.47 H new ATOM 0 HA TYR A 69 -4.513 -8.150 -4.193 1.00 0.44 H new ATOM 0 HB2 TYR A 69 -4.747 -5.268 -3.668 1.00 0.42 H new ATOM 0 HB3 TYR A 69 -3.399 -5.962 -2.790 1.00 0.42 H new ATOM 0 HD1 TYR A 69 -4.931 -5.730 -6.192 1.00 1.91 H new ATOM 0 HD2 TYR A 69 -1.409 -6.698 -3.920 1.00 1.80 H new ATOM 0 HE1 TYR A 69 -3.581 -5.717 -8.275 1.00 1.98 H new ATOM 0 HE2 TYR A 69 -0.033 -6.518 -5.982 1.00 1.76 H new ATOM 0 HH TYR A 69 -0.026 -6.083 -8.181 1.00 0.72 H new ATOM 1033 N HIS A 70 -3.380 -8.438 -1.818 1.00 0.40 N ATOM 1034 CA HIS A 70 -2.931 -8.779 -0.483 1.00 0.40 C ATOM 1035 C HIS A 70 -1.419 -8.566 -0.416 1.00 0.34 C ATOM 1036 O HIS A 70 -0.720 -8.812 -1.400 1.00 0.56 O ATOM 1037 CB HIS A 70 -3.368 -10.206 -0.119 1.00 0.74 C ATOM 1038 CG HIS A 70 -3.709 -10.388 1.341 1.00 1.13 C ATOM 1039 ND1 HIS A 70 -4.357 -9.473 2.143 1.00 2.47 N ATOM 1040 CD2 HIS A 70 -3.615 -11.555 2.050 1.00 1.48 C ATOM 1041 CE1 HIS A 70 -4.605 -10.069 3.321 1.00 2.47 C ATOM 1042 NE2 HIS A 70 -4.160 -11.336 3.320 1.00 1.64 N ATOM 0 H HIS A 70 -2.675 -8.584 -2.541 1.00 0.40 H new ATOM 0 HA HIS A 70 -3.392 -8.133 0.264 1.00 0.40 H new ATOM 0 HB2 HIS A 70 -4.236 -10.474 -0.721 1.00 0.74 H new ATOM 0 HB3 HIS A 70 -2.570 -10.899 -0.385 1.00 0.74 H new ATOM 0 HD2 HIS A 70 -3.194 -12.483 1.692 1.00 1.48 H new ATOM 0 HE1 HIS A 70 -5.096 -9.593 4.157 1.00 2.47 H new ATOM 0 HE2 HIS A 70 -4.209 -12.004 4.089 1.00 1.64 H new ATOM 1050 N VAL A 71 -0.933 -8.063 0.721 1.00 0.43 N ATOM 1051 CA VAL A 71 0.477 -7.899 1.020 1.00 0.61 C ATOM 1052 C VAL A 71 0.927 -9.068 1.896 1.00 0.72 C ATOM 1053 O VAL A 71 0.095 -9.782 2.454 1.00 0.91 O ATOM 1054 CB VAL A 71 0.715 -6.550 1.722 1.00 0.89 C ATOM 1055 CG1 VAL A 71 0.774 -5.413 0.695 1.00 2.43 C ATOM 1056 CG2 VAL A 71 -0.311 -6.231 2.818 1.00 1.99 C ATOM 0 H VAL A 71 -1.538 -7.750 1.480 1.00 0.43 H new ATOM 0 HA VAL A 71 1.062 -7.897 0.100 1.00 0.61 H new ATOM 0 HB VAL A 71 1.677 -6.639 2.227 1.00 0.89 H new ATOM 0 HG11 VAL A 71 0.943 -4.467 1.209 1.00 2.43 H new ATOM 0 HG12 VAL A 71 1.590 -5.596 -0.005 1.00 2.43 H new ATOM 0 HG13 VAL A 71 -0.168 -5.366 0.149 1.00 2.43 H new ATOM 0 HG21 VAL A 71 -0.077 -5.265 3.266 1.00 1.99 H new ATOM 0 HG22 VAL A 71 -1.310 -6.196 2.383 1.00 1.99 H new ATOM 0 HG23 VAL A 71 -0.276 -7.005 3.585 1.00 1.99 H new ATOM 1066 N VAL A 72 2.243 -9.249 2.021 1.00 0.64 N ATOM 1067 CA VAL A 72 2.861 -10.270 2.847 1.00 0.71 C ATOM 1068 C VAL A 72 3.787 -9.581 3.851 1.00 0.73 C ATOM 1069 O VAL A 72 4.410 -8.564 3.535 1.00 0.63 O ATOM 1070 CB VAL A 72 3.582 -11.310 1.984 1.00 0.70 C ATOM 1071 CG1 VAL A 72 4.025 -12.516 2.825 1.00 0.81 C ATOM 1072 CG2 VAL A 72 2.688 -11.813 0.843 1.00 0.73 C ATOM 0 H VAL A 72 2.923 -8.667 1.532 1.00 0.64 H new ATOM 0 HA VAL A 72 2.103 -10.823 3.402 1.00 0.71 H new ATOM 0 HB VAL A 72 4.457 -10.813 1.564 1.00 0.70 H new ATOM 0 HG11 VAL A 72 4.534 -13.238 2.186 1.00 0.81 H new ATOM 0 HG12 VAL A 72 4.705 -12.183 3.609 1.00 0.81 H new ATOM 0 HG13 VAL A 72 3.151 -12.985 3.278 1.00 0.81 H new ATOM 0 HG21 VAL A 72 3.232 -12.549 0.252 1.00 0.73 H new ATOM 0 HG22 VAL A 72 1.791 -12.273 1.259 1.00 0.73 H new ATOM 0 HG23 VAL A 72 2.404 -10.975 0.207 1.00 0.73 H new ATOM 1082 N ILE A 73 3.842 -10.135 5.065 1.00 0.91 N ATOM 1083 CA ILE A 73 4.601 -9.619 6.194 1.00 1.06 C ATOM 1084 C ILE A 73 5.531 -10.723 6.698 1.00 1.24 C ATOM 1085 O ILE A 73 5.253 -11.373 7.699 1.00 1.28 O ATOM 1086 CB ILE A 73 3.664 -9.115 7.302 1.00 0.98 C ATOM 1087 CG1 ILE A 73 2.617 -8.122 6.781 1.00 1.03 C ATOM 1088 CG2 ILE A 73 4.471 -8.464 8.437 1.00 1.14 C ATOM 1089 CD1 ILE A 73 3.176 -6.765 6.345 1.00 1.50 C ATOM 0 H ILE A 73 3.336 -10.991 5.292 1.00 0.91 H new ATOM 0 HA ILE A 73 5.199 -8.764 5.880 1.00 1.06 H new ATOM 0 HB ILE A 73 3.132 -9.988 7.681 1.00 0.98 H new ATOM 0 HG12 ILE A 73 2.098 -8.574 5.935 1.00 1.03 H new ATOM 0 HG13 ILE A 73 1.873 -7.959 7.561 1.00 1.03 H new ATOM 0 HG21 ILE A 73 3.790 -8.113 9.213 1.00 1.14 H new ATOM 0 HG22 ILE A 73 5.158 -9.196 8.861 1.00 1.14 H new ATOM 0 HG23 ILE A 73 5.038 -7.620 8.043 1.00 1.14 H new ATOM 0 HD11 ILE A 73 2.361 -6.132 5.993 1.00 1.50 H new ATOM 0 HD12 ILE A 73 3.668 -6.285 7.191 1.00 1.50 H new ATOM 0 HD13 ILE A 73 3.897 -6.910 5.540 1.00 1.50 H new