USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 809 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 96 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.149) USER MOD Set 1.2: A 100 THR OG1 : rot 86:sc= -1.04! USER MOD Set 2.1: A 69 CYS SG : rot 149:sc= 0.247 USER MOD Set 2.2: A 78 GLN : amide:sc= -2.06 K(o=-1.8,f=-7.3!) USER MOD Set 3.1: A 32 CYS SG : rot -160:sc= -1.31! USER MOD Set 3.2: A 35 CYS SG : rot 145:sc= 0.0361! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.0764 X(o=-0.076,f=-0.016) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -7.74! C(o=-7.7!,f=-12!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.323 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= 0.716 K(o=0.72,f=-4.1!) USER MOD Single : A 44 SER OG : rot 4:sc= 0.303! USER MOD Single : A 46 SER OG : rot -158:sc= -0.163 USER MOD Single : A 48 LYS NZ :NH3+ 175:sc=-0.00542 (180deg=-0.0636) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.013 USER MOD Single : A 51 ASN : amide:sc= -0.0708 K(o=-0.071,f=-0.66) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.0333 X(o=-0.033,f=-0.19) USER MOD Single : A 67 SER OG : rot -32:sc= 0.321 USER MOD Single : A 72 LYS NZ :NH3+ -130:sc= -0.0393 (180deg=-0.506) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.322 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0593 USER MOD Single : A 76 THR OG1 : rot 82:sc= 0.44 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -112:sc= -0.416 (180deg=-1.54) USER MOD Single : A 84 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.045) USER MOD Single : A 85 LYS NZ :NH3+ 175:sc= 0.108 (180deg=0.1) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.72! K(o=-1.7!,f=-0.0044) USER MOD Single : A 94 LYS NZ :NH3+ -168:sc= 0.772 (180deg=0.634) USER MOD Single : A 102 ASN : amide:sc= -0.135 K(o=-0.14,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.406 -1.900 9.008 1.00 0.59 N ATOM 2 CA MET A 1 -6.366 -1.420 9.964 1.00 0.23 C ATOM 3 C MET A 1 -4.997 -1.433 9.278 1.00 0.24 C ATOM 4 O MET A 1 -4.383 -2.471 9.133 1.00 0.53 O ATOM 5 CB MET A 1 -6.317 -2.314 11.203 1.00 0.70 C ATOM 6 CG MET A 1 -5.617 -1.561 12.336 1.00 1.49 C ATOM 7 SD MET A 1 -4.995 -2.540 13.725 1.00 2.38 S ATOM 8 CE MET A 1 -3.410 -1.686 13.910 1.00 3.89 C ATOM 0 H1 MET A 1 -8.336 -1.891 9.474 1.00 0.59 H new ATOM 0 H2 MET A 1 -7.429 -1.275 8.177 1.00 0.59 H new ATOM 0 H3 MET A 1 -7.179 -2.869 8.706 1.00 0.59 H new ATOM 0 HA MET A 1 -6.620 -0.406 10.272 1.00 0.23 H new ATOM 0 HB2 MET A 1 -7.326 -2.594 11.505 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.783 -3.238 10.979 1.00 0.70 H new ATOM 0 HG2 MET A 1 -4.778 -1.012 11.908 1.00 1.49 H new ATOM 0 HG3 MET A 1 -6.314 -0.821 12.730 1.00 1.49 H new ATOM 0 HE1 MET A 1 -2.848 -2.135 14.729 1.00 3.89 H new ATOM 0 HE2 MET A 1 -2.839 -1.775 12.986 1.00 3.89 H new ATOM 0 HE3 MET A 1 -3.587 -0.633 14.127 1.00 3.89 H new ATOM 20 N VAL A 2 -4.549 -0.277 8.870 1.00 0.21 N ATOM 21 CA VAL A 2 -3.221 -0.205 8.190 1.00 0.16 C ATOM 22 C VAL A 2 -2.186 -1.029 8.963 1.00 0.30 C ATOM 23 O VAL A 2 -2.023 -0.861 10.156 1.00 0.60 O ATOM 24 CB VAL A 2 -2.770 1.252 8.125 1.00 0.33 C ATOM 25 CG1 VAL A 2 -1.407 1.323 7.436 1.00 0.19 C ATOM 26 CG2 VAL A 2 -3.784 2.056 7.310 1.00 0.51 C ATOM 0 H VAL A 2 -5.037 0.612 8.975 1.00 0.21 H new ATOM 0 HA VAL A 2 -3.311 -0.610 7.182 1.00 0.16 H new ATOM 0 HB VAL A 2 -2.698 1.661 9.133 1.00 0.33 H new ATOM 0 HG11 VAL A 2 -1.078 2.361 7.386 1.00 0.19 H new ATOM 0 HG12 VAL A 2 -0.682 0.740 8.003 1.00 0.19 H new ATOM 0 HG13 VAL A 2 -1.488 0.919 6.427 1.00 0.19 H new ATOM 0 HG21 VAL A 2 -3.467 3.098 7.260 1.00 0.51 H new ATOM 0 HG22 VAL A 2 -3.846 1.647 6.302 1.00 0.51 H new ATOM 0 HG23 VAL A 2 -4.763 1.997 7.787 1.00 0.51 H new ATOM 36 N LYS A 3 -1.509 -1.900 8.258 1.00 0.29 N ATOM 37 CA LYS A 3 -0.476 -2.761 8.922 1.00 0.43 C ATOM 38 C LYS A 3 0.922 -2.424 8.385 1.00 0.51 C ATOM 39 O LYS A 3 1.094 -1.467 7.656 1.00 1.19 O ATOM 40 CB LYS A 3 -0.792 -4.231 8.625 1.00 0.48 C ATOM 41 CG LYS A 3 -0.470 -5.088 9.855 1.00 0.93 C ATOM 42 CD LYS A 3 -1.657 -5.053 10.820 1.00 2.40 C ATOM 43 CE LYS A 3 -1.158 -5.331 12.240 1.00 3.44 C ATOM 44 NZ LYS A 3 -2.211 -6.018 13.039 1.00 4.11 N ATOM 0 H LYS A 3 -1.624 -2.054 7.256 1.00 0.29 H new ATOM 0 HA LYS A 3 -0.493 -2.581 9.997 1.00 0.43 H new ATOM 0 HB2 LYS A 3 -1.843 -4.340 8.359 1.00 0.48 H new ATOM 0 HB3 LYS A 3 -0.209 -4.572 7.769 1.00 0.48 H new ATOM 0 HG2 LYS A 3 -0.262 -6.115 9.553 1.00 0.93 H new ATOM 0 HG3 LYS A 3 0.426 -4.713 10.349 1.00 0.93 H new ATOM 0 HD2 LYS A 3 -2.147 -4.080 10.778 1.00 2.40 H new ATOM 0 HD3 LYS A 3 -2.399 -5.797 10.530 1.00 2.40 H new ATOM 0 HE2 LYS A 3 -0.261 -5.949 12.202 1.00 3.44 H new ATOM 0 HE3 LYS A 3 -0.879 -4.395 12.724 1.00 3.44 H new ATOM 0 HZ1 LYS A 3 -1.855 -6.199 13.999 1.00 4.11 H new ATOM 0 HZ2 LYS A 3 -3.057 -5.415 13.091 1.00 4.11 H new ATOM 0 HZ3 LYS A 3 -2.457 -6.921 12.585 1.00 4.11 H new ATOM 58 N GLN A 4 1.889 -3.221 8.760 1.00 0.34 N ATOM 59 CA GLN A 4 3.282 -2.971 8.283 1.00 0.29 C ATOM 60 C GLN A 4 3.970 -4.301 7.953 1.00 0.27 C ATOM 61 O GLN A 4 3.850 -5.263 8.686 1.00 0.28 O ATOM 62 CB GLN A 4 4.065 -2.250 9.380 1.00 0.27 C ATOM 63 CG GLN A 4 5.436 -1.842 8.836 1.00 0.19 C ATOM 64 CD GLN A 4 5.544 -0.315 8.830 1.00 1.06 C ATOM 65 OE1 GLN A 4 5.571 0.313 7.790 1.00 2.34 O ATOM 66 NE2 GLN A 4 5.607 0.320 9.969 1.00 0.98 N ATOM 0 H GLN A 4 1.776 -4.029 9.372 1.00 0.34 H new ATOM 0 HA GLN A 4 3.251 -2.355 7.384 1.00 0.29 H new ATOM 0 HB2 GLN A 4 3.517 -1.369 9.715 1.00 0.27 H new ATOM 0 HB3 GLN A 4 4.183 -2.901 10.246 1.00 0.27 H new ATOM 0 HG2 GLN A 4 6.227 -2.272 9.451 1.00 0.19 H new ATOM 0 HG3 GLN A 4 5.570 -2.232 7.827 1.00 0.19 H new ATOM 0 HE21 GLN A 4 5.585 -0.201 10.845 1.00 0.98 H new ATOM 0 HE22 GLN A 4 5.678 1.337 9.982 1.00 0.98 H new ATOM 75 N ILE A 5 4.676 -4.325 6.857 1.00 0.24 N ATOM 76 CA ILE A 5 5.374 -5.585 6.460 1.00 0.23 C ATOM 77 C ILE A 5 6.813 -5.586 7.000 1.00 0.22 C ATOM 78 O ILE A 5 7.239 -4.641 7.634 1.00 0.26 O ATOM 79 CB ILE A 5 5.398 -5.673 4.927 1.00 0.20 C ATOM 80 CG1 ILE A 5 3.975 -5.434 4.378 1.00 0.23 C ATOM 81 CG2 ILE A 5 5.912 -7.058 4.485 1.00 0.18 C ATOM 82 CD1 ILE A 5 2.982 -6.402 5.038 1.00 0.24 C ATOM 0 H ILE A 5 4.801 -3.536 6.223 1.00 0.24 H new ATOM 0 HA ILE A 5 4.845 -6.442 6.876 1.00 0.23 H new ATOM 0 HB ILE A 5 6.069 -4.911 4.531 1.00 0.20 H new ATOM 0 HG12 ILE A 5 3.672 -4.405 4.569 1.00 0.23 H new ATOM 0 HG13 ILE A 5 3.966 -5.574 3.297 1.00 0.23 H new ATOM 0 HG21 ILE A 5 5.925 -7.111 3.396 1.00 0.18 H new ATOM 0 HG22 ILE A 5 6.921 -7.211 4.868 1.00 0.18 H new ATOM 0 HG23 ILE A 5 5.254 -7.833 4.878 1.00 0.18 H new ATOM 0 HD11 ILE A 5 1.982 -6.223 4.642 1.00 0.24 H new ATOM 0 HD12 ILE A 5 3.279 -7.429 4.825 1.00 0.24 H new ATOM 0 HD13 ILE A 5 2.980 -6.242 6.116 1.00 0.24 H new ATOM 94 N GLU A 6 7.530 -6.649 6.737 1.00 0.19 N ATOM 95 CA GLU A 6 8.937 -6.723 7.231 1.00 0.18 C ATOM 96 C GLU A 6 9.793 -7.581 6.288 1.00 0.25 C ATOM 97 O GLU A 6 10.958 -7.303 6.083 1.00 0.26 O ATOM 98 CB GLU A 6 8.942 -7.344 8.628 1.00 0.15 C ATOM 99 CG GLU A 6 8.387 -8.769 8.547 1.00 1.27 C ATOM 100 CD GLU A 6 7.940 -9.218 9.939 1.00 1.60 C ATOM 101 OE1 GLU A 6 8.732 -9.033 10.848 1.00 1.15 O ATOM 102 OE2 GLU A 6 6.831 -9.720 10.015 1.00 2.70 O ATOM 0 H GLU A 6 7.207 -7.459 6.208 1.00 0.19 H new ATOM 0 HA GLU A 6 9.356 -5.717 7.265 1.00 0.18 H new ATOM 0 HB2 GLU A 6 9.955 -7.358 9.029 1.00 0.15 H new ATOM 0 HB3 GLU A 6 8.338 -6.744 9.308 1.00 0.15 H new ATOM 0 HG2 GLU A 6 7.547 -8.805 7.854 1.00 1.27 H new ATOM 0 HG3 GLU A 6 9.149 -9.447 8.161 1.00 1.27 H new ATOM 109 N SER A 7 9.193 -8.607 5.736 1.00 0.32 N ATOM 110 CA SER A 7 9.956 -9.498 4.804 1.00 0.40 C ATOM 111 C SER A 7 9.094 -9.861 3.587 1.00 0.20 C ATOM 112 O SER A 7 7.941 -9.485 3.506 1.00 0.11 O ATOM 113 CB SER A 7 10.351 -10.774 5.547 1.00 0.60 C ATOM 114 OG SER A 7 9.111 -11.352 5.927 1.00 0.65 O ATOM 0 H SER A 7 8.218 -8.865 5.887 1.00 0.32 H new ATOM 0 HA SER A 7 10.848 -8.975 4.458 1.00 0.40 H new ATOM 0 HB2 SER A 7 10.925 -11.446 4.908 1.00 0.60 H new ATOM 0 HB3 SER A 7 10.971 -10.553 6.416 1.00 0.60 H new ATOM 0 HG SER A 7 9.275 -12.187 6.414 1.00 0.65 H new ATOM 120 N LYS A 8 9.675 -10.586 2.667 1.00 0.15 N ATOM 121 CA LYS A 8 8.906 -10.980 1.446 1.00 0.15 C ATOM 122 C LYS A 8 7.982 -12.156 1.752 1.00 0.36 C ATOM 123 O LYS A 8 6.779 -12.070 1.583 1.00 0.24 O ATOM 124 CB LYS A 8 9.888 -11.380 0.345 1.00 0.29 C ATOM 125 CG LYS A 8 9.102 -11.691 -0.940 1.00 0.54 C ATOM 126 CD LYS A 8 9.292 -13.165 -1.327 1.00 0.46 C ATOM 127 CE LYS A 8 10.705 -13.365 -1.884 1.00 1.15 C ATOM 128 NZ LYS A 8 11.197 -14.737 -1.575 1.00 1.72 N ATOM 0 H LYS A 8 10.638 -10.920 2.705 1.00 0.15 H new ATOM 0 HA LYS A 8 8.300 -10.135 1.120 1.00 0.15 H new ATOM 0 HB2 LYS A 8 10.600 -10.574 0.165 1.00 0.29 H new ATOM 0 HB3 LYS A 8 10.465 -12.252 0.654 1.00 0.29 H new ATOM 0 HG2 LYS A 8 8.043 -11.479 -0.789 1.00 0.54 H new ATOM 0 HG3 LYS A 8 9.443 -11.047 -1.750 1.00 0.54 H new ATOM 0 HD2 LYS A 8 9.138 -13.804 -0.457 1.00 0.46 H new ATOM 0 HD3 LYS A 8 8.551 -13.456 -2.071 1.00 0.46 H new ATOM 0 HE2 LYS A 8 10.703 -13.207 -2.962 1.00 1.15 H new ATOM 0 HE3 LYS A 8 11.380 -12.625 -1.455 1.00 1.15 H new ATOM 0 HZ1 LYS A 8 12.156 -14.857 -1.959 1.00 1.72 H new ATOM 0 HZ2 LYS A 8 11.217 -14.875 -0.544 1.00 1.72 H new ATOM 0 HZ3 LYS A 8 10.562 -15.439 -2.005 1.00 1.72 H new ATOM 142 N THR A 9 8.567 -13.228 2.192 1.00 0.74 N ATOM 143 CA THR A 9 7.754 -14.436 2.517 1.00 1.00 C ATOM 144 C THR A 9 6.513 -14.023 3.290 1.00 0.94 C ATOM 145 O THR A 9 5.469 -14.632 3.180 1.00 0.99 O ATOM 146 CB THR A 9 8.592 -15.389 3.370 1.00 1.29 C ATOM 147 OG1 THR A 9 9.647 -15.814 2.513 1.00 1.40 O ATOM 148 CG2 THR A 9 7.817 -16.659 3.718 1.00 1.48 C ATOM 0 H THR A 9 9.571 -13.325 2.342 1.00 0.74 H new ATOM 0 HA THR A 9 7.454 -14.934 1.595 1.00 1.00 H new ATOM 0 HB THR A 9 8.902 -14.890 4.288 1.00 1.29 H new ATOM 0 HG1 THR A 9 10.233 -16.433 2.997 1.00 1.40 H new ATOM 0 HG21 THR A 9 8.444 -17.313 4.325 1.00 1.48 H new ATOM 0 HG22 THR A 9 6.919 -16.396 4.277 1.00 1.48 H new ATOM 0 HG23 THR A 9 7.535 -17.176 2.801 1.00 1.48 H new ATOM 156 N ALA A 10 6.662 -12.996 4.060 1.00 0.87 N ATOM 157 CA ALA A 10 5.511 -12.499 4.848 1.00 0.90 C ATOM 158 C ALA A 10 4.534 -11.760 3.932 1.00 0.68 C ATOM 159 O ALA A 10 3.347 -12.017 3.949 1.00 0.65 O ATOM 160 CB ALA A 10 6.015 -11.546 5.925 1.00 0.99 C ATOM 0 H ALA A 10 7.531 -12.476 4.180 1.00 0.87 H new ATOM 0 HA ALA A 10 4.999 -13.342 5.311 1.00 0.90 H new ATOM 0 HB1 ALA A 10 5.171 -11.177 6.508 1.00 0.99 H new ATOM 0 HB2 ALA A 10 6.707 -12.073 6.582 1.00 0.99 H new ATOM 0 HB3 ALA A 10 6.527 -10.706 5.456 1.00 0.99 H new ATOM 166 N PHE A 11 5.059 -10.854 3.151 1.00 0.54 N ATOM 167 CA PHE A 11 4.179 -10.091 2.222 1.00 0.33 C ATOM 168 C PHE A 11 3.215 -11.050 1.518 1.00 0.27 C ATOM 169 O PHE A 11 2.147 -10.661 1.095 1.00 0.16 O ATOM 170 CB PHE A 11 5.049 -9.375 1.186 1.00 0.17 C ATOM 171 CG PHE A 11 4.157 -8.653 0.172 1.00 0.17 C ATOM 172 CD1 PHE A 11 3.295 -7.647 0.580 1.00 0.42 C ATOM 173 CD2 PHE A 11 4.200 -8.995 -1.170 1.00 0.07 C ATOM 174 CE1 PHE A 11 2.494 -6.999 -0.339 1.00 0.47 C ATOM 175 CE2 PHE A 11 3.398 -8.344 -2.083 1.00 0.14 C ATOM 176 CZ PHE A 11 2.547 -7.349 -1.668 1.00 0.29 C ATOM 0 H PHE A 11 6.049 -10.612 3.116 1.00 0.54 H new ATOM 0 HA PHE A 11 3.600 -9.358 2.783 1.00 0.33 H new ATOM 0 HB2 PHE A 11 5.706 -8.660 1.681 1.00 0.17 H new ATOM 0 HB3 PHE A 11 5.689 -10.094 0.675 1.00 0.17 H new ATOM 0 HD1 PHE A 11 3.250 -7.369 1.623 1.00 0.42 H new ATOM 0 HD2 PHE A 11 4.866 -9.777 -1.503 1.00 0.07 H new ATOM 0 HE1 PHE A 11 1.825 -6.216 -0.014 1.00 0.47 H new ATOM 0 HE2 PHE A 11 3.439 -8.617 -3.127 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.919 -6.841 -2.385 1.00 0.29 H new ATOM 186 N GLN A 12 3.619 -12.288 1.406 1.00 0.41 N ATOM 187 CA GLN A 12 2.731 -13.292 0.740 1.00 0.47 C ATOM 188 C GLN A 12 1.593 -13.687 1.680 1.00 0.50 C ATOM 189 O GLN A 12 0.432 -13.481 1.386 1.00 0.41 O ATOM 190 CB GLN A 12 3.547 -14.543 0.389 1.00 0.64 C ATOM 191 CG GLN A 12 4.380 -14.291 -0.873 1.00 0.79 C ATOM 192 CD GLN A 12 5.487 -13.287 -0.562 1.00 2.34 C ATOM 193 OE1 GLN A 12 6.577 -13.650 -0.169 1.00 3.34 O ATOM 194 NE2 GLN A 12 5.251 -12.017 -0.725 1.00 3.47 N ATOM 0 H GLN A 12 4.513 -12.646 1.741 1.00 0.41 H new ATOM 0 HA GLN A 12 2.316 -12.852 -0.167 1.00 0.47 H new ATOM 0 HB2 GLN A 12 4.202 -14.805 1.220 1.00 0.64 H new ATOM 0 HB3 GLN A 12 2.879 -15.390 0.230 1.00 0.64 H new ATOM 0 HG2 GLN A 12 4.812 -15.226 -1.229 1.00 0.79 H new ATOM 0 HG3 GLN A 12 3.743 -13.910 -1.672 1.00 0.79 H new ATOM 0 HE21 GLN A 12 4.337 -11.706 -1.055 1.00 3.47 H new ATOM 0 HE22 GLN A 12 5.980 -11.333 -0.523 1.00 3.47 H new ATOM 203 N GLU A 13 1.960 -14.248 2.787 1.00 0.75 N ATOM 204 CA GLU A 13 0.933 -14.685 3.778 1.00 0.80 C ATOM 205 C GLU A 13 -0.089 -13.569 4.028 1.00 0.73 C ATOM 206 O GLU A 13 -1.273 -13.822 4.126 1.00 0.82 O ATOM 207 CB GLU A 13 1.630 -15.039 5.090 1.00 0.88 C ATOM 208 CG GLU A 13 2.492 -16.285 4.878 1.00 1.56 C ATOM 209 CD GLU A 13 1.764 -17.505 5.445 1.00 2.41 C ATOM 210 OE1 GLU A 13 0.928 -18.021 4.721 1.00 3.55 O ATOM 211 OE2 GLU A 13 2.084 -17.853 6.569 1.00 2.28 O ATOM 0 H GLU A 13 2.927 -14.427 3.056 1.00 0.75 H new ATOM 0 HA GLU A 13 0.406 -15.554 3.383 1.00 0.80 H new ATOM 0 HB2 GLU A 13 2.249 -14.206 5.424 1.00 0.88 H new ATOM 0 HB3 GLU A 13 0.892 -15.221 5.871 1.00 0.88 H new ATOM 0 HG2 GLU A 13 2.691 -16.427 3.816 1.00 1.56 H new ATOM 0 HG3 GLU A 13 3.457 -16.162 5.370 1.00 1.56 H new ATOM 218 N ALA A 14 0.389 -12.360 4.126 1.00 0.63 N ATOM 219 CA ALA A 14 -0.547 -11.225 4.378 1.00 0.59 C ATOM 220 C ALA A 14 -1.665 -11.221 3.333 1.00 0.51 C ATOM 221 O ALA A 14 -2.828 -11.114 3.665 1.00 0.61 O ATOM 222 CB ALA A 14 0.228 -9.911 4.300 1.00 0.57 C ATOM 0 H ALA A 14 1.374 -12.109 4.044 1.00 0.63 H new ATOM 0 HA ALA A 14 -0.990 -11.337 5.368 1.00 0.59 H new ATOM 0 HB1 ALA A 14 -0.450 -9.077 4.483 1.00 0.57 H new ATOM 0 HB2 ALA A 14 1.017 -9.909 5.052 1.00 0.57 H new ATOM 0 HB3 ALA A 14 0.671 -9.808 3.309 1.00 0.57 H new ATOM 228 N LEU A 15 -1.286 -11.342 2.093 1.00 0.35 N ATOM 229 CA LEU A 15 -2.308 -11.348 1.007 1.00 0.28 C ATOM 230 C LEU A 15 -3.157 -12.618 1.084 1.00 0.34 C ATOM 231 O LEU A 15 -4.206 -12.705 0.478 1.00 0.29 O ATOM 232 CB LEU A 15 -1.589 -11.291 -0.341 1.00 0.26 C ATOM 233 CG LEU A 15 -0.709 -10.032 -0.389 1.00 0.19 C ATOM 234 CD1 LEU A 15 0.070 -10.006 -1.706 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.592 -8.782 -0.304 1.00 0.18 C ATOM 0 H LEU A 15 -0.319 -11.437 1.784 1.00 0.35 H new ATOM 0 HA LEU A 15 -2.965 -10.485 1.120 1.00 0.28 H new ATOM 0 HB2 LEU A 15 -0.977 -12.183 -0.479 1.00 0.26 H new ATOM 0 HB3 LEU A 15 -2.315 -11.274 -1.154 1.00 0.26 H new ATOM 0 HG LEU A 15 -0.015 -10.046 0.451 1.00 0.19 H new ATOM 0 HD11 LEU A 15 0.695 -9.114 -1.742 1.00 0.18 H new ATOM 0 HD12 LEU A 15 0.700 -10.893 -1.774 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -0.629 -9.993 -2.542 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.965 -7.891 -0.338 1.00 0.18 H new ATOM 0 HD22 LEU A 15 -2.287 -8.770 -1.144 1.00 0.18 H new ATOM 0 HD23 LEU A 15 -2.153 -8.796 0.631 1.00 0.18 H new ATOM 247 N ASP A 16 -2.684 -13.575 1.828 1.00 0.47 N ATOM 248 CA ASP A 16 -3.452 -14.849 1.958 1.00 0.56 C ATOM 249 C ASP A 16 -4.323 -14.814 3.215 1.00 0.57 C ATOM 250 O ASP A 16 -5.292 -15.539 3.322 1.00 0.59 O ATOM 251 CB ASP A 16 -2.475 -16.020 2.047 1.00 0.74 C ATOM 252 CG ASP A 16 -2.958 -17.152 1.137 1.00 1.32 C ATOM 253 OD1 ASP A 16 -3.845 -17.862 1.581 1.00 0.96 O ATOM 254 OD2 ASP A 16 -2.411 -17.244 0.050 1.00 2.72 O ATOM 0 H ASP A 16 -1.808 -13.535 2.349 1.00 0.47 H new ATOM 0 HA ASP A 16 -4.095 -14.969 1.086 1.00 0.56 H new ATOM 0 HB2 ASP A 16 -1.477 -15.699 1.749 1.00 0.74 H new ATOM 0 HB3 ASP A 16 -2.403 -16.371 3.076 1.00 0.74 H new ATOM 259 N ALA A 17 -3.955 -13.967 4.135 1.00 0.60 N ATOM 260 CA ALA A 17 -4.741 -13.859 5.402 1.00 0.69 C ATOM 261 C ALA A 17 -5.588 -12.582 5.393 1.00 0.58 C ATOM 262 O ALA A 17 -6.245 -12.263 6.363 1.00 0.69 O ATOM 263 CB ALA A 17 -3.774 -13.818 6.585 1.00 0.99 C ATOM 0 H ALA A 17 -3.148 -13.346 4.068 1.00 0.60 H new ATOM 0 HA ALA A 17 -5.403 -14.720 5.489 1.00 0.69 H new ATOM 0 HB1 ALA A 17 -4.339 -13.739 7.514 1.00 0.99 H new ATOM 0 HB2 ALA A 17 -3.178 -14.730 6.599 1.00 0.99 H new ATOM 0 HB3 ALA A 17 -3.115 -12.955 6.487 1.00 0.99 H new ATOM 269 N ALA A 18 -5.552 -11.878 4.294 1.00 0.48 N ATOM 270 CA ALA A 18 -6.349 -10.619 4.202 1.00 0.52 C ATOM 271 C ALA A 18 -7.758 -10.921 3.684 1.00 0.54 C ATOM 272 O ALA A 18 -8.574 -10.032 3.544 1.00 0.77 O ATOM 273 CB ALA A 18 -5.654 -9.655 3.243 1.00 0.48 C ATOM 0 H ALA A 18 -5.011 -12.116 3.463 1.00 0.48 H new ATOM 0 HA ALA A 18 -6.424 -10.171 5.193 1.00 0.52 H new ATOM 0 HB1 ALA A 18 -6.232 -8.733 3.172 1.00 0.48 H new ATOM 0 HB2 ALA A 18 -4.655 -9.429 3.615 1.00 0.48 H new ATOM 0 HB3 ALA A 18 -5.579 -10.114 2.257 1.00 0.48 H new ATOM 279 N GLY A 19 -8.014 -12.170 3.410 1.00 0.42 N ATOM 280 CA GLY A 19 -9.361 -12.542 2.898 1.00 0.58 C ATOM 281 C GLY A 19 -9.406 -12.408 1.379 1.00 0.60 C ATOM 282 O GLY A 19 -9.006 -13.302 0.660 1.00 0.99 O ATOM 0 H GLY A 19 -7.356 -12.942 3.517 1.00 0.42 H new ATOM 0 HA2 GLY A 19 -9.597 -13.566 3.187 1.00 0.58 H new ATOM 0 HA3 GLY A 19 -10.119 -11.901 3.349 1.00 0.58 H new ATOM 286 N ASP A 20 -9.890 -11.292 0.926 1.00 0.52 N ATOM 287 CA ASP A 20 -9.973 -11.072 -0.549 1.00 0.47 C ATOM 288 C ASP A 20 -10.269 -9.600 -0.854 1.00 0.37 C ATOM 289 O ASP A 20 -9.863 -9.087 -1.877 1.00 0.48 O ATOM 290 CB ASP A 20 -11.093 -11.940 -1.119 1.00 0.58 C ATOM 291 CG ASP A 20 -12.106 -11.045 -1.836 1.00 1.65 C ATOM 292 OD1 ASP A 20 -13.014 -10.602 -1.154 1.00 2.67 O ATOM 293 OD2 ASP A 20 -11.912 -10.854 -3.025 1.00 2.34 O ATOM 0 H ASP A 20 -10.231 -10.524 1.504 1.00 0.52 H new ATOM 0 HA ASP A 20 -9.019 -11.340 -1.004 1.00 0.47 H new ATOM 0 HB2 ASP A 20 -10.683 -12.674 -1.812 1.00 0.58 H new ATOM 0 HB3 ASP A 20 -11.582 -12.495 -0.319 1.00 0.58 H new ATOM 298 N LYS A 21 -10.977 -8.956 0.040 1.00 0.30 N ATOM 299 CA LYS A 21 -11.311 -7.516 -0.181 1.00 0.21 C ATOM 300 C LYS A 21 -10.094 -6.766 -0.733 1.00 0.23 C ATOM 301 O LYS A 21 -8.974 -7.216 -0.602 1.00 0.38 O ATOM 302 CB LYS A 21 -11.739 -6.892 1.146 1.00 0.29 C ATOM 303 CG LYS A 21 -12.830 -7.758 1.781 1.00 0.24 C ATOM 304 CD LYS A 21 -12.253 -8.483 3.000 1.00 0.42 C ATOM 305 CE LYS A 21 -13.275 -9.503 3.508 1.00 0.84 C ATOM 306 NZ LYS A 21 -13.131 -10.795 2.779 1.00 2.54 N ATOM 0 H LYS A 21 -11.335 -9.360 0.905 1.00 0.30 H new ATOM 0 HA LYS A 21 -12.123 -7.444 -0.904 1.00 0.21 H new ATOM 0 HB2 LYS A 21 -10.884 -6.813 1.817 1.00 0.29 H new ATOM 0 HB3 LYS A 21 -12.110 -5.880 0.983 1.00 0.29 H new ATOM 0 HG2 LYS A 21 -13.676 -7.138 2.079 1.00 0.24 H new ATOM 0 HG3 LYS A 21 -13.204 -8.481 1.057 1.00 0.24 H new ATOM 0 HD2 LYS A 21 -11.322 -8.984 2.733 1.00 0.42 H new ATOM 0 HD3 LYS A 21 -12.015 -7.766 3.786 1.00 0.42 H new ATOM 0 HE2 LYS A 21 -13.136 -9.665 4.577 1.00 0.84 H new ATOM 0 HE3 LYS A 21 -14.284 -9.113 3.373 1.00 0.84 H new ATOM 0 HZ1 LYS A 21 -13.832 -11.475 3.136 1.00 2.54 H new ATOM 0 HZ2 LYS A 21 -13.286 -10.639 1.763 1.00 2.54 H new ATOM 0 HZ3 LYS A 21 -12.174 -11.173 2.929 1.00 2.54 H new ATOM 320 N LEU A 22 -10.344 -5.639 -1.342 1.00 0.11 N ATOM 321 CA LEU A 22 -9.217 -4.845 -1.921 1.00 0.14 C ATOM 322 C LEU A 22 -8.028 -4.805 -0.954 1.00 0.17 C ATOM 323 O LEU A 22 -8.197 -4.862 0.248 1.00 0.35 O ATOM 324 CB LEU A 22 -9.697 -3.418 -2.183 1.00 0.20 C ATOM 325 CG LEU A 22 -9.914 -3.218 -3.686 1.00 0.24 C ATOM 326 CD1 LEU A 22 -10.588 -1.862 -3.914 1.00 1.23 C ATOM 327 CD2 LEU A 22 -8.560 -3.238 -4.409 1.00 1.25 C ATOM 0 H LEU A 22 -11.272 -5.234 -1.464 1.00 0.11 H new ATOM 0 HA LEU A 22 -8.896 -5.316 -2.850 1.00 0.14 H new ATOM 0 HB2 LEU A 22 -10.625 -3.231 -1.643 1.00 0.20 H new ATOM 0 HB3 LEU A 22 -8.963 -2.703 -1.813 1.00 0.20 H new ATOM 0 HG LEU A 22 -10.543 -4.018 -4.076 1.00 0.24 H new ATOM 0 HD11 LEU A 22 -10.747 -1.710 -4.982 1.00 1.23 H new ATOM 0 HD12 LEU A 22 -11.548 -1.841 -3.398 1.00 1.23 H new ATOM 0 HD13 LEU A 22 -9.950 -1.068 -3.525 1.00 1.23 H new ATOM 0 HD21 LEU A 22 -8.716 -3.096 -5.478 1.00 1.25 H new ATOM 0 HD22 LEU A 22 -7.930 -2.436 -4.024 1.00 1.25 H new ATOM 0 HD23 LEU A 22 -8.071 -4.197 -4.238 1.00 1.25 H new ATOM 339 N VAL A 23 -6.847 -4.709 -1.507 1.00 0.22 N ATOM 340 CA VAL A 23 -5.630 -4.651 -0.647 1.00 0.20 C ATOM 341 C VAL A 23 -4.644 -3.649 -1.258 1.00 0.21 C ATOM 342 O VAL A 23 -3.832 -4.001 -2.089 1.00 0.29 O ATOM 343 CB VAL A 23 -4.988 -6.055 -0.587 1.00 0.18 C ATOM 344 CG1 VAL A 23 -4.027 -6.164 0.612 1.00 0.17 C ATOM 345 CG2 VAL A 23 -6.088 -7.113 -0.439 1.00 0.24 C ATOM 0 H VAL A 23 -6.674 -4.668 -2.511 1.00 0.22 H new ATOM 0 HA VAL A 23 -5.892 -4.334 0.363 1.00 0.20 H new ATOM 0 HB VAL A 23 -4.427 -6.218 -1.508 1.00 0.18 H new ATOM 0 HG11 VAL A 23 -3.586 -7.161 0.635 1.00 0.17 H new ATOM 0 HG12 VAL A 23 -3.237 -5.420 0.514 1.00 0.17 H new ATOM 0 HG13 VAL A 23 -4.577 -5.989 1.536 1.00 0.17 H new ATOM 0 HG21 VAL A 23 -5.636 -8.104 -0.397 1.00 0.24 H new ATOM 0 HG22 VAL A 23 -6.648 -6.930 0.478 1.00 0.24 H new ATOM 0 HG23 VAL A 23 -6.763 -7.058 -1.293 1.00 0.24 H new ATOM 355 N VAL A 24 -4.734 -2.419 -0.826 1.00 0.17 N ATOM 356 CA VAL A 24 -3.833 -1.373 -1.403 1.00 0.16 C ATOM 357 C VAL A 24 -2.576 -1.185 -0.548 1.00 0.20 C ATOM 358 O VAL A 24 -2.657 -1.029 0.653 1.00 0.29 O ATOM 359 CB VAL A 24 -4.598 -0.057 -1.476 1.00 0.12 C ATOM 360 CG1 VAL A 24 -3.689 1.014 -2.071 1.00 0.11 C ATOM 361 CG2 VAL A 24 -5.823 -0.235 -2.376 1.00 0.09 C ATOM 0 H VAL A 24 -5.382 -2.094 -0.109 1.00 0.17 H new ATOM 0 HA VAL A 24 -3.518 -1.692 -2.397 1.00 0.16 H new ATOM 0 HB VAL A 24 -4.917 0.241 -0.477 1.00 0.12 H new ATOM 0 HG11 VAL A 24 -4.229 1.959 -2.127 1.00 0.11 H new ATOM 0 HG12 VAL A 24 -2.809 1.136 -1.440 1.00 0.11 H new ATOM 0 HG13 VAL A 24 -3.379 0.713 -3.072 1.00 0.11 H new ATOM 0 HG21 VAL A 24 -6.373 0.704 -2.431 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.501 -0.526 -3.376 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.468 -1.010 -1.963 1.00 0.09 H new ATOM 371 N VAL A 25 -1.438 -1.185 -1.202 1.00 0.14 N ATOM 372 CA VAL A 25 -0.152 -1.010 -0.456 1.00 0.17 C ATOM 373 C VAL A 25 0.412 0.392 -0.676 1.00 0.16 C ATOM 374 O VAL A 25 0.174 1.009 -1.695 1.00 0.18 O ATOM 375 CB VAL A 25 0.867 -2.033 -0.956 1.00 0.20 C ATOM 376 CG1 VAL A 25 2.200 -1.795 -0.245 1.00 0.28 C ATOM 377 CG2 VAL A 25 0.374 -3.443 -0.637 1.00 0.39 C ATOM 0 H VAL A 25 -1.345 -1.298 -2.211 1.00 0.14 H new ATOM 0 HA VAL A 25 -0.346 -1.154 0.607 1.00 0.17 H new ATOM 0 HB VAL A 25 0.994 -1.927 -2.033 1.00 0.20 H new ATOM 0 HG11 VAL A 25 2.934 -2.521 -0.595 1.00 0.28 H new ATOM 0 HG12 VAL A 25 2.554 -0.787 -0.463 1.00 0.28 H new ATOM 0 HG13 VAL A 25 2.064 -1.907 0.831 1.00 0.28 H new ATOM 0 HG21 VAL A 25 1.101 -4.172 -0.994 1.00 0.39 H new ATOM 0 HG22 VAL A 25 0.251 -3.550 0.441 1.00 0.39 H new ATOM 0 HG23 VAL A 25 -0.583 -3.614 -1.130 1.00 0.39 H new ATOM 387 N ASP A 26 1.152 0.857 0.297 1.00 0.13 N ATOM 388 CA ASP A 26 1.773 2.209 0.186 1.00 0.13 C ATOM 389 C ASP A 26 3.290 2.076 0.310 1.00 0.16 C ATOM 390 O ASP A 26 3.839 2.131 1.394 1.00 0.18 O ATOM 391 CB ASP A 26 1.246 3.101 1.305 1.00 0.12 C ATOM 392 CG ASP A 26 1.950 4.458 1.245 1.00 0.12 C ATOM 393 OD1 ASP A 26 2.193 4.893 0.132 1.00 0.94 O ATOM 394 OD2 ASP A 26 2.204 4.983 2.317 1.00 1.07 O ATOM 0 H ASP A 26 1.353 0.358 1.164 1.00 0.13 H new ATOM 0 HA ASP A 26 1.523 2.652 -0.778 1.00 0.13 H new ATOM 0 HB2 ASP A 26 0.169 3.233 1.204 1.00 0.12 H new ATOM 0 HB3 ASP A 26 1.420 2.631 2.273 1.00 0.12 H new ATOM 399 N PHE A 27 3.929 1.891 -0.804 1.00 0.18 N ATOM 400 CA PHE A 27 5.409 1.744 -0.787 1.00 0.21 C ATOM 401 C PHE A 27 6.074 3.112 -0.614 1.00 0.21 C ATOM 402 O PHE A 27 6.243 3.848 -1.566 1.00 0.21 O ATOM 403 CB PHE A 27 5.844 1.116 -2.104 1.00 0.22 C ATOM 404 CG PHE A 27 5.483 -0.371 -2.094 1.00 0.23 C ATOM 405 CD1 PHE A 27 6.324 -1.288 -1.491 1.00 0.26 C ATOM 406 CD2 PHE A 27 4.311 -0.822 -2.687 1.00 0.20 C ATOM 407 CE1 PHE A 27 6.008 -2.628 -1.479 1.00 0.27 C ATOM 408 CE2 PHE A 27 4.000 -2.170 -2.671 1.00 0.21 C ATOM 409 CZ PHE A 27 4.849 -3.068 -2.069 1.00 0.25 C ATOM 0 H PHE A 27 3.495 1.835 -1.725 1.00 0.18 H new ATOM 0 HA PHE A 27 5.709 1.110 0.047 1.00 0.21 H new ATOM 0 HB2 PHE A 27 5.354 1.616 -2.939 1.00 0.22 H new ATOM 0 HB3 PHE A 27 6.918 1.241 -2.244 1.00 0.22 H new ATOM 0 HD1 PHE A 27 7.238 -0.950 -1.025 1.00 0.26 H new ATOM 0 HD2 PHE A 27 3.642 -0.120 -3.161 1.00 0.20 H new ATOM 0 HE1 PHE A 27 6.673 -3.334 -1.005 1.00 0.27 H new ATOM 0 HE2 PHE A 27 3.088 -2.518 -3.133 1.00 0.21 H new ATOM 0 HZ PHE A 27 4.604 -4.120 -2.060 1.00 0.25 H new ATOM 419 N SER A 28 6.434 3.421 0.606 1.00 0.22 N ATOM 420 CA SER A 28 7.090 4.737 0.876 1.00 0.23 C ATOM 421 C SER A 28 8.270 4.549 1.837 1.00 0.18 C ATOM 422 O SER A 28 8.587 3.440 2.222 1.00 0.19 O ATOM 423 CB SER A 28 6.069 5.682 1.504 1.00 0.40 C ATOM 424 OG SER A 28 6.428 5.717 2.878 1.00 1.14 O ATOM 0 H SER A 28 6.303 2.823 1.422 1.00 0.22 H new ATOM 0 HA SER A 28 7.459 5.156 -0.060 1.00 0.23 H new ATOM 0 HB2 SER A 28 6.115 6.674 1.055 1.00 0.40 H new ATOM 0 HB3 SER A 28 5.051 5.317 1.367 1.00 0.40 H new ATOM 0 HG SER A 28 5.816 6.310 3.361 1.00 1.14 H new ATOM 430 N ALA A 29 8.893 5.640 2.204 1.00 0.22 N ATOM 431 CA ALA A 29 10.059 5.548 3.141 1.00 0.31 C ATOM 432 C ALA A 29 9.646 5.987 4.551 1.00 0.47 C ATOM 433 O ALA A 29 8.993 6.997 4.722 1.00 0.50 O ATOM 434 CB ALA A 29 11.179 6.456 2.634 1.00 0.30 C ATOM 0 H ALA A 29 8.650 6.583 1.900 1.00 0.22 H new ATOM 0 HA ALA A 29 10.404 4.515 3.182 1.00 0.31 H new ATOM 0 HB1 ALA A 29 12.031 6.395 3.311 1.00 0.30 H new ATOM 0 HB2 ALA A 29 11.483 6.137 1.637 1.00 0.30 H new ATOM 0 HB3 ALA A 29 10.822 7.485 2.592 1.00 0.30 H new ATOM 440 N THR A 30 10.039 5.217 5.531 1.00 0.59 N ATOM 441 CA THR A 30 9.679 5.577 6.936 1.00 0.75 C ATOM 442 C THR A 30 10.673 6.606 7.485 1.00 0.73 C ATOM 443 O THR A 30 10.290 7.582 8.099 1.00 0.73 O ATOM 444 CB THR A 30 9.713 4.314 7.803 1.00 0.98 C ATOM 445 OG1 THR A 30 9.187 4.723 9.062 1.00 1.19 O ATOM 446 CG2 THR A 30 11.144 3.865 8.090 1.00 1.10 C ATOM 0 H THR A 30 10.587 4.364 5.423 1.00 0.59 H new ATOM 0 HA THR A 30 8.678 6.009 6.954 1.00 0.75 H new ATOM 0 HB THR A 30 9.175 3.508 7.304 1.00 0.98 H new ATOM 0 HG1 THR A 30 9.176 3.959 9.676 1.00 1.19 H new ATOM 0 HG21 THR A 30 11.127 2.967 8.707 1.00 1.10 H new ATOM 0 HG22 THR A 30 11.653 3.650 7.151 1.00 1.10 H new ATOM 0 HG23 THR A 30 11.675 4.657 8.617 1.00 1.10 H new ATOM 454 N TRP A 31 11.929 6.359 7.250 1.00 0.76 N ATOM 455 CA TRP A 31 12.975 7.306 7.738 1.00 0.77 C ATOM 456 C TRP A 31 12.708 8.710 7.187 1.00 0.56 C ATOM 457 O TRP A 31 12.760 9.686 7.908 1.00 0.58 O ATOM 458 CB TRP A 31 14.326 6.822 7.233 1.00 0.82 C ATOM 459 CG TRP A 31 14.231 6.644 5.718 1.00 0.65 C ATOM 460 CD1 TRP A 31 13.767 5.547 5.131 1.00 0.61 C ATOM 461 CD2 TRP A 31 14.543 7.566 4.819 1.00 0.55 C ATOM 462 NE1 TRP A 31 13.812 5.841 3.825 1.00 0.46 N ATOM 463 CE2 TRP A 31 14.288 7.098 3.542 1.00 0.46 C ATOM 464 CE3 TRP A 31 15.043 8.852 4.983 1.00 0.57 C ATOM 465 CZ2 TRP A 31 14.526 7.898 2.448 1.00 0.48 C ATOM 466 CZ3 TRP A 31 15.280 9.648 3.882 1.00 0.56 C ATOM 467 CH2 TRP A 31 15.021 9.172 2.616 1.00 0.55 C ATOM 0 H TRP A 31 12.279 5.546 6.743 1.00 0.76 H new ATOM 0 HA TRP A 31 12.961 7.344 8.827 1.00 0.77 H new ATOM 0 HB2 TRP A 31 15.106 7.541 7.484 1.00 0.82 H new ATOM 0 HB3 TRP A 31 14.596 5.880 7.711 1.00 0.82 H new ATOM 0 HD1 TRP A 31 13.432 4.632 5.597 1.00 0.61 H new ATOM 0 HE1 TRP A 31 13.517 5.186 3.101 1.00 0.46 H new ATOM 0 HE3 TRP A 31 15.246 9.229 5.974 1.00 0.57 H new ATOM 0 HZ2 TRP A 31 14.324 7.526 1.455 1.00 0.48 H new ATOM 0 HZ3 TRP A 31 15.670 10.647 4.013 1.00 0.56 H new ATOM 0 HH2 TRP A 31 15.206 9.798 1.755 1.00 0.55 H new ATOM 478 N CYS A 32 12.430 8.775 5.913 1.00 0.37 N ATOM 479 CA CYS A 32 12.162 10.100 5.284 1.00 0.16 C ATOM 480 C CYS A 32 11.084 10.855 6.072 1.00 0.27 C ATOM 481 O CYS A 32 10.321 10.262 6.808 1.00 0.40 O ATOM 482 CB CYS A 32 11.690 9.885 3.851 1.00 0.11 C ATOM 483 SG CYS A 32 11.074 11.333 2.957 1.00 0.49 S ATOM 0 H CYS A 32 12.377 7.974 5.284 1.00 0.37 H new ATOM 0 HA CYS A 32 13.078 10.691 5.289 1.00 0.16 H new ATOM 0 HB2 CYS A 32 12.519 9.464 3.282 1.00 0.11 H new ATOM 0 HB3 CYS A 32 10.899 9.135 3.865 1.00 0.11 H new ATOM 0 HG CYS A 32 10.339 10.945 1.957 1.00 0.49 H new ATOM 489 N GLY A 33 11.048 12.151 5.894 1.00 0.29 N ATOM 490 CA GLY A 33 10.035 12.973 6.625 1.00 0.47 C ATOM 491 C GLY A 33 8.838 13.337 5.722 1.00 0.50 C ATOM 492 O GLY A 33 7.728 12.908 5.962 1.00 0.53 O ATOM 0 H GLY A 33 11.671 12.673 5.279 1.00 0.29 H new ATOM 0 HA2 GLY A 33 9.680 12.423 7.496 1.00 0.47 H new ATOM 0 HA3 GLY A 33 10.504 13.885 6.994 1.00 0.47 H new ATOM 496 N PRO A 34 9.094 14.133 4.696 1.00 0.54 N ATOM 497 CA PRO A 34 8.035 14.564 3.767 1.00 0.64 C ATOM 498 C PRO A 34 7.258 13.367 3.209 1.00 0.54 C ATOM 499 O PRO A 34 6.063 13.442 3.013 1.00 0.76 O ATOM 500 CB PRO A 34 8.766 15.307 2.643 1.00 0.73 C ATOM 501 CG PRO A 34 10.251 15.473 3.091 1.00 0.65 C ATOM 502 CD PRO A 34 10.436 14.654 4.385 1.00 0.50 C ATOM 0 HA PRO A 34 7.299 15.194 4.266 1.00 0.64 H new ATOM 0 HB2 PRO A 34 8.706 14.748 1.709 1.00 0.73 H new ATOM 0 HB3 PRO A 34 8.307 16.279 2.462 1.00 0.73 H new ATOM 0 HG2 PRO A 34 10.928 15.120 2.313 1.00 0.65 H new ATOM 0 HG3 PRO A 34 10.484 16.523 3.265 1.00 0.65 H new ATOM 0 HD2 PRO A 34 11.151 13.844 4.242 1.00 0.50 H new ATOM 0 HD3 PRO A 34 10.817 15.276 5.195 1.00 0.50 H new ATOM 510 N CYS A 35 7.944 12.291 2.956 1.00 0.26 N ATOM 511 CA CYS A 35 7.231 11.098 2.423 1.00 0.26 C ATOM 512 C CYS A 35 6.151 10.664 3.415 1.00 0.20 C ATOM 513 O CYS A 35 5.202 9.998 3.052 1.00 0.08 O ATOM 514 CB CYS A 35 8.227 9.961 2.220 1.00 0.25 C ATOM 515 SG CYS A 35 9.348 10.079 0.803 1.00 0.41 S ATOM 0 H CYS A 35 8.949 12.184 3.091 1.00 0.26 H new ATOM 0 HA CYS A 35 6.766 11.347 1.469 1.00 0.26 H new ATOM 0 HB2 CYS A 35 8.832 9.878 3.123 1.00 0.25 H new ATOM 0 HB3 CYS A 35 7.664 9.032 2.128 1.00 0.25 H new ATOM 0 HG CYS A 35 10.502 9.572 1.120 1.00 0.41 H new ATOM 521 N LYS A 36 6.323 11.055 4.655 1.00 0.44 N ATOM 522 CA LYS A 36 5.321 10.685 5.688 1.00 0.43 C ATOM 523 C LYS A 36 4.365 11.854 5.951 1.00 0.43 C ATOM 524 O LYS A 36 3.456 11.733 6.723 1.00 0.40 O ATOM 525 CB LYS A 36 6.044 10.308 6.979 1.00 0.41 C ATOM 526 CG LYS A 36 5.011 9.862 8.023 1.00 0.51 C ATOM 527 CD LYS A 36 5.692 8.954 9.049 1.00 0.18 C ATOM 528 CE LYS A 36 6.866 9.702 9.685 1.00 0.59 C ATOM 529 NZ LYS A 36 7.371 8.962 10.876 1.00 1.08 N ATOM 0 H LYS A 36 7.110 11.611 4.989 1.00 0.44 H new ATOM 0 HA LYS A 36 4.739 9.836 5.331 1.00 0.43 H new ATOM 0 HB2 LYS A 36 6.757 9.506 6.790 1.00 0.41 H new ATOM 0 HB3 LYS A 36 6.613 11.159 7.353 1.00 0.41 H new ATOM 0 HG2 LYS A 36 4.579 10.731 8.519 1.00 0.51 H new ATOM 0 HG3 LYS A 36 4.191 9.332 7.538 1.00 0.51 H new ATOM 0 HD2 LYS A 36 4.978 8.654 9.816 1.00 0.18 H new ATOM 0 HD3 LYS A 36 6.045 8.042 8.567 1.00 0.18 H new ATOM 0 HE2 LYS A 36 7.668 9.820 8.956 1.00 0.59 H new ATOM 0 HE3 LYS A 36 6.551 10.704 9.978 1.00 0.59 H new ATOM 0 HZ1 LYS A 36 8.167 9.482 11.296 1.00 1.08 H new ATOM 0 HZ2 LYS A 36 6.608 8.871 11.577 1.00 1.08 H new ATOM 0 HZ3 LYS A 36 7.690 8.015 10.587 1.00 1.08 H new ATOM 543 N MET A 37 4.597 12.971 5.323 1.00 0.46 N ATOM 544 CA MET A 37 3.651 14.107 5.538 1.00 0.46 C ATOM 545 C MET A 37 2.325 13.746 4.872 1.00 0.38 C ATOM 546 O MET A 37 1.311 14.380 5.086 1.00 0.46 O ATOM 547 CB MET A 37 4.214 15.382 4.911 1.00 0.56 C ATOM 548 CG MET A 37 4.711 16.314 6.021 1.00 0.83 C ATOM 549 SD MET A 37 3.499 16.865 7.249 1.00 2.08 S ATOM 550 CE MET A 37 4.607 17.934 8.199 1.00 2.68 C ATOM 0 H MET A 37 5.375 13.148 4.688 1.00 0.46 H new ATOM 0 HA MET A 37 3.507 14.282 6.604 1.00 0.46 H new ATOM 0 HB2 MET A 37 5.031 15.137 4.232 1.00 0.56 H new ATOM 0 HB3 MET A 37 3.446 15.880 4.319 1.00 0.56 H new ATOM 0 HG2 MET A 37 5.520 15.808 6.549 1.00 0.83 H new ATOM 0 HG3 MET A 37 5.141 17.199 5.551 1.00 0.83 H new ATOM 0 HE1 MET A 37 4.057 18.387 9.024 1.00 2.68 H new ATOM 0 HE2 MET A 37 5.432 17.342 8.595 1.00 2.68 H new ATOM 0 HE3 MET A 37 5.000 18.718 7.551 1.00 2.68 H new ATOM 560 N ILE A 38 2.385 12.718 4.069 1.00 0.27 N ATOM 561 CA ILE A 38 1.167 12.241 3.351 1.00 0.16 C ATOM 562 C ILE A 38 0.466 11.150 4.192 1.00 0.35 C ATOM 563 O ILE A 38 -0.512 10.566 3.778 1.00 0.43 O ATOM 564 CB ILE A 38 1.619 11.674 1.983 1.00 0.28 C ATOM 565 CG1 ILE A 38 1.844 12.832 1.005 1.00 0.34 C ATOM 566 CG2 ILE A 38 0.551 10.747 1.399 1.00 0.67 C ATOM 567 CD1 ILE A 38 2.777 13.864 1.637 1.00 1.24 C ATOM 0 H ILE A 38 3.233 12.184 3.878 1.00 0.27 H new ATOM 0 HA ILE A 38 0.459 13.055 3.198 1.00 0.16 H new ATOM 0 HB ILE A 38 2.540 11.110 2.132 1.00 0.28 H new ATOM 0 HG12 ILE A 38 2.275 12.458 0.076 1.00 0.34 H new ATOM 0 HG13 ILE A 38 0.891 13.296 0.750 1.00 0.34 H new ATOM 0 HG21 ILE A 38 0.891 10.361 0.438 1.00 0.67 H new ATOM 0 HG22 ILE A 38 0.377 9.916 2.083 1.00 0.67 H new ATOM 0 HG23 ILE A 38 -0.376 11.303 1.259 1.00 0.67 H new ATOM 0 HD11 ILE A 38 2.936 14.687 0.940 1.00 1.24 H new ATOM 0 HD12 ILE A 38 2.328 14.247 2.554 1.00 1.24 H new ATOM 0 HD13 ILE A 38 3.734 13.396 1.869 1.00 1.24 H new ATOM 579 N LYS A 39 0.976 10.922 5.376 1.00 0.45 N ATOM 580 CA LYS A 39 0.364 9.873 6.249 1.00 0.64 C ATOM 581 C LYS A 39 -1.121 10.185 6.594 1.00 0.60 C ATOM 582 O LYS A 39 -1.962 9.317 6.479 1.00 0.55 O ATOM 583 CB LYS A 39 1.215 9.709 7.536 1.00 0.94 C ATOM 584 CG LYS A 39 0.323 9.497 8.762 1.00 2.58 C ATOM 585 CD LYS A 39 1.205 9.131 9.957 1.00 2.66 C ATOM 586 CE LYS A 39 0.362 9.176 11.233 1.00 4.38 C ATOM 587 NZ LYS A 39 1.223 8.979 12.433 1.00 4.67 N ATOM 0 H LYS A 39 1.779 11.409 5.773 1.00 0.45 H new ATOM 0 HA LYS A 39 0.360 8.933 5.697 1.00 0.64 H new ATOM 0 HB2 LYS A 39 1.891 8.862 7.423 1.00 0.94 H new ATOM 0 HB3 LYS A 39 1.834 10.594 7.682 1.00 0.94 H new ATOM 0 HG2 LYS A 39 -0.246 10.402 8.976 1.00 2.58 H new ATOM 0 HG3 LYS A 39 -0.400 8.704 8.570 1.00 2.58 H new ATOM 0 HD2 LYS A 39 1.629 8.136 9.821 1.00 2.66 H new ATOM 0 HD3 LYS A 39 2.041 9.826 10.034 1.00 2.66 H new ATOM 0 HE2 LYS A 39 -0.154 10.134 11.302 1.00 4.38 H new ATOM 0 HE3 LYS A 39 -0.405 8.402 11.197 1.00 4.38 H new ATOM 0 HZ1 LYS A 39 0.636 9.012 13.291 1.00 4.67 H new ATOM 0 HZ2 LYS A 39 1.696 8.055 12.373 1.00 4.67 H new ATOM 0 HZ3 LYS A 39 1.939 9.732 12.474 1.00 4.67 H new ATOM 601 N PRO A 40 -1.432 11.419 6.994 1.00 0.72 N ATOM 602 CA PRO A 40 -2.815 11.764 7.367 1.00 0.86 C ATOM 603 C PRO A 40 -3.784 11.556 6.194 1.00 0.73 C ATOM 604 O PRO A 40 -4.972 11.772 6.330 1.00 0.87 O ATOM 605 CB PRO A 40 -2.772 13.241 7.773 1.00 1.04 C ATOM 606 CG PRO A 40 -1.290 13.707 7.676 1.00 1.05 C ATOM 607 CD PRO A 40 -0.475 12.541 7.085 1.00 0.82 C ATOM 0 HA PRO A 40 -3.175 11.126 8.174 1.00 0.86 H new ATOM 0 HB2 PRO A 40 -3.406 13.838 7.117 1.00 1.04 H new ATOM 0 HB3 PRO A 40 -3.150 13.372 8.787 1.00 1.04 H new ATOM 0 HG2 PRO A 40 -1.207 14.592 7.044 1.00 1.05 H new ATOM 0 HG3 PRO A 40 -0.909 13.981 8.660 1.00 1.05 H new ATOM 0 HD2 PRO A 40 -0.072 12.797 6.105 1.00 0.82 H new ATOM 0 HD3 PRO A 40 0.372 12.288 7.722 1.00 0.82 H new ATOM 615 N PHE A 41 -3.256 11.138 5.073 1.00 0.49 N ATOM 616 CA PHE A 41 -4.133 10.909 3.881 1.00 0.46 C ATOM 617 C PHE A 41 -4.342 9.405 3.646 1.00 0.34 C ATOM 618 O PHE A 41 -5.459 8.934 3.610 1.00 0.31 O ATOM 619 CB PHE A 41 -3.474 11.531 2.654 1.00 0.43 C ATOM 620 CG PHE A 41 -3.639 13.050 2.705 1.00 0.64 C ATOM 621 CD1 PHE A 41 -4.759 13.653 2.160 1.00 0.76 C ATOM 622 CD2 PHE A 41 -2.669 13.843 3.296 1.00 0.74 C ATOM 623 CE1 PHE A 41 -4.907 15.024 2.206 1.00 0.96 C ATOM 624 CE2 PHE A 41 -2.820 15.214 3.340 1.00 0.94 C ATOM 625 CZ PHE A 41 -3.938 15.803 2.795 1.00 1.04 C ATOM 0 H PHE A 41 -2.265 10.946 4.929 1.00 0.49 H new ATOM 0 HA PHE A 41 -5.105 11.370 4.059 1.00 0.46 H new ATOM 0 HB2 PHE A 41 -2.416 11.270 2.624 1.00 0.43 H new ATOM 0 HB3 PHE A 41 -3.926 11.135 1.745 1.00 0.43 H new ATOM 0 HD1 PHE A 41 -5.522 13.046 1.696 1.00 0.76 H new ATOM 0 HD2 PHE A 41 -1.790 13.386 3.725 1.00 0.74 H new ATOM 0 HE1 PHE A 41 -5.785 15.486 1.779 1.00 0.96 H new ATOM 0 HE2 PHE A 41 -2.060 15.826 3.803 1.00 0.94 H new ATOM 0 HZ PHE A 41 -4.055 16.876 2.830 1.00 1.04 H new ATOM 635 N PHE A 42 -3.260 8.686 3.489 1.00 0.29 N ATOM 636 CA PHE A 42 -3.385 7.213 3.252 1.00 0.20 C ATOM 637 C PHE A 42 -3.635 6.479 4.572 1.00 0.21 C ATOM 638 O PHE A 42 -4.225 5.416 4.594 1.00 0.18 O ATOM 639 CB PHE A 42 -2.086 6.691 2.630 1.00 0.09 C ATOM 640 CG PHE A 42 -2.187 5.172 2.446 1.00 0.08 C ATOM 641 CD1 PHE A 42 -3.013 4.640 1.471 1.00 0.14 C ATOM 642 CD2 PHE A 42 -1.456 4.307 3.252 1.00 0.09 C ATOM 643 CE1 PHE A 42 -3.107 3.274 1.303 1.00 0.16 C ATOM 644 CE2 PHE A 42 -1.556 2.941 3.080 1.00 0.13 C ATOM 645 CZ PHE A 42 -2.380 2.426 2.107 1.00 0.15 C ATOM 0 H PHE A 42 -2.306 9.047 3.514 1.00 0.29 H new ATOM 0 HA PHE A 42 -4.225 7.034 2.580 1.00 0.20 H new ATOM 0 HB2 PHE A 42 -1.910 7.174 1.669 1.00 0.09 H new ATOM 0 HB3 PHE A 42 -1.239 6.936 3.270 1.00 0.09 H new ATOM 0 HD1 PHE A 42 -3.588 5.299 0.837 1.00 0.14 H new ATOM 0 HD2 PHE A 42 -0.806 4.706 4.017 1.00 0.09 H new ATOM 0 HE1 PHE A 42 -3.753 2.869 0.538 1.00 0.16 H new ATOM 0 HE2 PHE A 42 -0.986 2.275 3.711 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.457 1.357 1.974 1.00 0.15 H new ATOM 655 N HIS A 43 -3.181 7.063 5.641 1.00 0.32 N ATOM 656 CA HIS A 43 -3.363 6.412 6.969 1.00 0.40 C ATOM 657 C HIS A 43 -4.738 6.768 7.550 1.00 0.49 C ATOM 658 O HIS A 43 -5.218 6.122 8.460 1.00 0.56 O ATOM 659 CB HIS A 43 -2.270 6.918 7.902 1.00 0.45 C ATOM 660 CG HIS A 43 -2.139 5.993 9.108 1.00 0.52 C ATOM 661 ND1 HIS A 43 -3.012 5.181 9.491 1.00 0.57 N ATOM 662 CD2 HIS A 43 -1.087 5.850 9.993 1.00 0.53 C ATOM 663 CE1 HIS A 43 -2.627 4.542 10.520 1.00 0.61 C ATOM 664 NE2 HIS A 43 -1.406 4.905 10.914 1.00 0.59 N ATOM 0 H HIS A 43 -2.694 7.959 5.656 1.00 0.32 H new ATOM 0 HA HIS A 43 -3.302 5.329 6.861 1.00 0.40 H new ATOM 0 HB2 HIS A 43 -1.321 6.969 7.369 1.00 0.45 H new ATOM 0 HB3 HIS A 43 -2.504 7.930 8.234 1.00 0.45 H new ATOM 0 HD1 HIS A 43 -3.915 5.049 9.036 1.00 0.57 H new ATOM 0 HD2 HIS A 43 -0.159 6.402 9.958 1.00 0.53 H new ATOM 0 HE1 HIS A 43 -3.221 3.790 11.019 1.00 0.61 H new ATOM 672 N SER A 44 -5.343 7.792 7.007 1.00 0.50 N ATOM 673 CA SER A 44 -6.683 8.209 7.518 1.00 0.61 C ATOM 674 C SER A 44 -7.782 7.324 6.922 1.00 0.60 C ATOM 675 O SER A 44 -8.922 7.380 7.339 1.00 0.76 O ATOM 676 CB SER A 44 -6.936 9.665 7.132 1.00 0.65 C ATOM 677 OG SER A 44 -8.315 9.863 7.408 1.00 1.61 O ATOM 0 H SER A 44 -4.972 8.353 6.240 1.00 0.50 H new ATOM 0 HA SER A 44 -6.699 8.103 8.603 1.00 0.61 H new ATOM 0 HB2 SER A 44 -6.312 10.345 7.712 1.00 0.65 H new ATOM 0 HB3 SER A 44 -6.710 9.843 6.081 1.00 0.65 H new ATOM 0 HG SER A 44 -8.687 9.053 7.816 1.00 1.61 H new ATOM 683 N LEU A 45 -7.417 6.527 5.957 1.00 0.42 N ATOM 684 CA LEU A 45 -8.431 5.630 5.326 1.00 0.41 C ATOM 685 C LEU A 45 -8.636 4.387 6.192 1.00 0.40 C ATOM 686 O LEU A 45 -9.532 3.600 5.956 1.00 0.40 O ATOM 687 CB LEU A 45 -7.941 5.213 3.940 1.00 0.37 C ATOM 688 CG LEU A 45 -7.512 6.458 3.162 1.00 0.35 C ATOM 689 CD1 LEU A 45 -7.073 6.048 1.756 1.00 0.42 C ATOM 690 CD2 LEU A 45 -8.696 7.422 3.057 1.00 0.36 C ATOM 0 H LEU A 45 -6.472 6.456 5.580 1.00 0.42 H new ATOM 0 HA LEU A 45 -9.378 6.161 5.236 1.00 0.41 H new ATOM 0 HB2 LEU A 45 -7.105 4.520 4.030 1.00 0.37 H new ATOM 0 HB3 LEU A 45 -8.732 4.689 3.404 1.00 0.37 H new ATOM 0 HG LEU A 45 -6.685 6.945 3.679 1.00 0.35 H new ATOM 0 HD11 LEU A 45 -6.766 6.933 1.198 1.00 0.42 H new ATOM 0 HD12 LEU A 45 -6.235 5.354 1.824 1.00 0.42 H new ATOM 0 HD13 LEU A 45 -7.904 5.565 1.242 1.00 0.42 H new ATOM 0 HD21 LEU A 45 -8.394 8.311 2.503 1.00 0.36 H new ATOM 0 HD22 LEU A 45 -9.519 6.932 2.536 1.00 0.36 H new ATOM 0 HD23 LEU A 45 -9.020 7.711 4.057 1.00 0.36 H new ATOM 702 N SER A 46 -7.798 4.238 7.179 1.00 0.40 N ATOM 703 CA SER A 46 -7.925 3.056 8.078 1.00 0.40 C ATOM 704 C SER A 46 -9.278 3.085 8.798 1.00 0.42 C ATOM 705 O SER A 46 -9.787 2.061 9.209 1.00 0.35 O ATOM 706 CB SER A 46 -6.798 3.094 9.108 1.00 0.40 C ATOM 707 OG SER A 46 -6.451 1.731 9.295 1.00 0.84 O ATOM 0 H SER A 46 -7.036 4.878 7.402 1.00 0.40 H new ATOM 0 HA SER A 46 -7.860 2.142 7.487 1.00 0.40 H new ATOM 0 HB2 SER A 46 -5.949 3.675 8.748 1.00 0.40 H new ATOM 0 HB3 SER A 46 -7.126 3.553 10.041 1.00 0.40 H new ATOM 0 HG SER A 46 -6.003 1.623 10.160 1.00 0.84 H new ATOM 713 N GLU A 47 -9.831 4.262 8.932 1.00 0.54 N ATOM 714 CA GLU A 47 -11.150 4.382 9.625 1.00 0.57 C ATOM 715 C GLU A 47 -12.286 4.481 8.599 1.00 0.52 C ATOM 716 O GLU A 47 -13.314 3.849 8.746 1.00 0.44 O ATOM 717 CB GLU A 47 -11.142 5.638 10.495 1.00 0.75 C ATOM 718 CG GLU A 47 -9.934 5.594 11.433 1.00 1.08 C ATOM 719 CD GLU A 47 -10.076 4.404 12.385 1.00 0.93 C ATOM 720 OE1 GLU A 47 -11.001 4.454 13.180 1.00 0.89 O ATOM 721 OE2 GLU A 47 -9.252 3.513 12.265 1.00 2.04 O ATOM 0 H GLU A 47 -9.432 5.138 8.596 1.00 0.54 H new ATOM 0 HA GLU A 47 -11.311 3.498 10.242 1.00 0.57 H new ATOM 0 HB2 GLU A 47 -11.098 6.529 9.868 1.00 0.75 H new ATOM 0 HB3 GLU A 47 -12.064 5.700 11.073 1.00 0.75 H new ATOM 0 HG2 GLU A 47 -9.014 5.505 10.856 1.00 1.08 H new ATOM 0 HG3 GLU A 47 -9.866 6.522 12.000 1.00 1.08 H new ATOM 728 N LYS A 48 -12.077 5.274 7.583 1.00 0.58 N ATOM 729 CA LYS A 48 -13.137 5.428 6.544 1.00 0.59 C ATOM 730 C LYS A 48 -13.447 4.075 5.891 1.00 0.47 C ATOM 731 O LYS A 48 -14.535 3.552 6.029 1.00 0.46 O ATOM 732 CB LYS A 48 -12.656 6.409 5.480 1.00 0.68 C ATOM 733 CG LYS A 48 -13.805 7.350 5.111 1.00 0.62 C ATOM 734 CD LYS A 48 -13.949 8.425 6.193 1.00 0.67 C ATOM 735 CE LYS A 48 -15.435 8.693 6.442 1.00 1.48 C ATOM 736 NZ LYS A 48 -16.026 7.616 7.285 1.00 3.06 N ATOM 0 H LYS A 48 -11.228 5.817 7.427 1.00 0.58 H new ATOM 0 HA LYS A 48 -14.045 5.805 7.015 1.00 0.59 H new ATOM 0 HB2 LYS A 48 -11.806 6.981 5.853 1.00 0.68 H new ATOM 0 HB3 LYS A 48 -12.314 5.869 4.597 1.00 0.68 H new ATOM 0 HG2 LYS A 48 -13.613 7.815 4.144 1.00 0.62 H new ATOM 0 HG3 LYS A 48 -14.734 6.788 5.015 1.00 0.62 H new ATOM 0 HD2 LYS A 48 -13.467 8.098 7.114 1.00 0.67 H new ATOM 0 HD3 LYS A 48 -13.449 9.342 5.880 1.00 0.67 H new ATOM 0 HE2 LYS A 48 -15.559 9.657 6.934 1.00 1.48 H new ATOM 0 HE3 LYS A 48 -15.964 8.750 5.491 1.00 1.48 H new ATOM 0 HZ1 LYS A 48 -17.011 7.856 7.515 1.00 3.06 H new ATOM 0 HZ2 LYS A 48 -16.001 6.715 6.765 1.00 3.06 H new ATOM 0 HZ3 LYS A 48 -15.478 7.524 8.164 1.00 3.06 H new ATOM 750 N TYR A 49 -12.484 3.540 5.193 1.00 0.41 N ATOM 751 CA TYR A 49 -12.709 2.226 4.522 1.00 0.33 C ATOM 752 C TYR A 49 -12.253 1.079 5.429 1.00 0.29 C ATOM 753 O TYR A 49 -11.261 0.431 5.162 1.00 0.62 O ATOM 754 CB TYR A 49 -11.915 2.189 3.217 1.00 0.37 C ATOM 755 CG TYR A 49 -12.659 2.993 2.148 1.00 0.43 C ATOM 756 CD1 TYR A 49 -13.664 2.408 1.405 1.00 0.48 C ATOM 757 CD2 TYR A 49 -12.335 4.313 1.912 1.00 0.50 C ATOM 758 CE1 TYR A 49 -14.335 3.133 0.441 1.00 0.56 C ATOM 759 CE2 TYR A 49 -13.006 5.038 0.948 1.00 0.59 C ATOM 760 CZ TYR A 49 -14.011 4.453 0.205 1.00 0.61 C ATOM 761 OH TYR A 49 -14.682 5.177 -0.758 1.00 0.71 O ATOM 0 H TYR A 49 -11.560 3.949 5.058 1.00 0.41 H new ATOM 0 HA TYR A 49 -13.773 2.108 4.316 1.00 0.33 H new ATOM 0 HB2 TYR A 49 -10.919 2.604 3.372 1.00 0.37 H new ATOM 0 HB3 TYR A 49 -11.784 1.158 2.887 1.00 0.37 H new ATOM 0 HD1 TYR A 49 -13.927 1.375 1.579 1.00 0.48 H new ATOM 0 HD2 TYR A 49 -11.550 4.783 2.486 1.00 0.50 H new ATOM 0 HE1 TYR A 49 -15.120 2.663 -0.133 1.00 0.56 H new ATOM 0 HE2 TYR A 49 -12.743 6.071 0.774 1.00 0.59 H new ATOM 0 HH TYR A 49 -14.325 6.089 -0.789 1.00 0.71 H new ATOM 771 N SER A 50 -12.987 0.851 6.483 1.00 0.47 N ATOM 772 CA SER A 50 -12.608 -0.252 7.413 1.00 0.67 C ATOM 773 C SER A 50 -12.878 -1.608 6.755 1.00 0.66 C ATOM 774 O SER A 50 -12.579 -2.644 7.314 1.00 0.76 O ATOM 775 CB SER A 50 -13.431 -0.133 8.695 1.00 0.89 C ATOM 776 OG SER A 50 -14.770 -0.016 8.239 1.00 1.02 O ATOM 0 H SER A 50 -13.824 1.374 6.740 1.00 0.47 H new ATOM 0 HA SER A 50 -11.546 -0.177 7.648 1.00 0.67 H new ATOM 0 HB2 SER A 50 -13.303 -1.007 9.333 1.00 0.89 H new ATOM 0 HB3 SER A 50 -13.132 0.736 9.281 1.00 0.89 H new ATOM 0 HG SER A 50 -15.372 0.064 9.008 1.00 1.02 H new ATOM 782 N ASN A 51 -13.440 -1.570 5.577 1.00 0.58 N ATOM 783 CA ASN A 51 -13.739 -2.847 4.863 1.00 0.64 C ATOM 784 C ASN A 51 -12.556 -3.243 3.971 1.00 0.68 C ATOM 785 O ASN A 51 -12.381 -4.400 3.646 1.00 1.28 O ATOM 786 CB ASN A 51 -14.986 -2.657 4.002 1.00 0.62 C ATOM 787 CG ASN A 51 -15.519 -4.026 3.573 1.00 0.77 C ATOM 788 OD1 ASN A 51 -14.939 -4.698 2.743 1.00 0.90 O ATOM 789 ND2 ASN A 51 -16.618 -4.475 4.114 1.00 1.70 N ATOM 0 H ASN A 51 -13.703 -0.719 5.081 1.00 0.58 H new ATOM 0 HA ASN A 51 -13.909 -3.637 5.594 1.00 0.64 H new ATOM 0 HB2 ASN A 51 -15.749 -2.116 4.562 1.00 0.62 H new ATOM 0 HB3 ASN A 51 -14.748 -2.056 3.125 1.00 0.62 H new ATOM 0 HD21 ASN A 51 -16.986 -5.386 3.840 1.00 1.70 H new ATOM 0 HD22 ASN A 51 -17.109 -3.915 4.811 1.00 1.70 H new ATOM 796 N VAL A 52 -11.771 -2.269 3.594 1.00 0.16 N ATOM 797 CA VAL A 52 -10.595 -2.568 2.724 1.00 0.10 C ATOM 798 C VAL A 52 -9.329 -2.705 3.576 1.00 0.11 C ATOM 799 O VAL A 52 -9.200 -2.069 4.604 1.00 0.20 O ATOM 800 CB VAL A 52 -10.413 -1.429 1.723 1.00 0.20 C ATOM 801 CG1 VAL A 52 -9.233 -1.751 0.805 1.00 0.30 C ATOM 802 CG2 VAL A 52 -11.683 -1.290 0.881 1.00 0.36 C ATOM 0 H VAL A 52 -11.891 -1.288 3.847 1.00 0.16 H new ATOM 0 HA VAL A 52 -10.768 -3.505 2.195 1.00 0.10 H new ATOM 0 HB VAL A 52 -10.222 -0.498 2.256 1.00 0.20 H new ATOM 0 HG11 VAL A 52 -9.098 -0.941 0.088 1.00 0.30 H new ATOM 0 HG12 VAL A 52 -8.328 -1.862 1.402 1.00 0.30 H new ATOM 0 HG13 VAL A 52 -9.431 -2.680 0.270 1.00 0.30 H new ATOM 0 HG21 VAL A 52 -11.558 -0.478 0.165 1.00 0.36 H new ATOM 0 HG22 VAL A 52 -11.868 -2.221 0.345 1.00 0.36 H new ATOM 0 HG23 VAL A 52 -12.529 -1.072 1.532 1.00 0.36 H new ATOM 812 N ILE A 53 -8.420 -3.529 3.130 1.00 0.16 N ATOM 813 CA ILE A 53 -7.160 -3.713 3.906 1.00 0.14 C ATOM 814 C ILE A 53 -6.074 -2.774 3.374 1.00 0.12 C ATOM 815 O ILE A 53 -5.984 -2.529 2.182 1.00 0.10 O ATOM 816 CB ILE A 53 -6.697 -5.166 3.783 1.00 0.17 C ATOM 817 CG1 ILE A 53 -7.815 -6.088 4.276 1.00 0.11 C ATOM 818 CG2 ILE A 53 -5.450 -5.378 4.647 1.00 0.25 C ATOM 819 CD1 ILE A 53 -8.422 -6.820 3.081 1.00 1.04 C ATOM 0 H ILE A 53 -8.493 -4.077 2.273 1.00 0.16 H new ATOM 0 HA ILE A 53 -7.345 -3.478 4.954 1.00 0.14 H new ATOM 0 HB ILE A 53 -6.461 -5.391 2.743 1.00 0.17 H new ATOM 0 HG12 ILE A 53 -7.421 -6.805 4.996 1.00 0.11 H new ATOM 0 HG13 ILE A 53 -8.581 -5.508 4.791 1.00 0.11 H new ATOM 0 HG21 ILE A 53 -5.119 -6.413 4.560 1.00 0.25 H new ATOM 0 HG22 ILE A 53 -4.655 -4.713 4.308 1.00 0.25 H new ATOM 0 HG23 ILE A 53 -5.687 -5.159 5.688 1.00 0.25 H new ATOM 0 HD11 ILE A 53 -9.219 -7.479 3.425 1.00 1.04 H new ATOM 0 HD12 ILE A 53 -8.829 -6.093 2.378 1.00 1.04 H new ATOM 0 HD13 ILE A 53 -7.651 -7.411 2.586 1.00 1.04 H new ATOM 831 N PHE A 54 -5.274 -2.272 4.277 1.00 0.13 N ATOM 832 CA PHE A 54 -4.184 -1.338 3.870 1.00 0.12 C ATOM 833 C PHE A 54 -2.857 -1.775 4.492 1.00 0.14 C ATOM 834 O PHE A 54 -2.820 -2.253 5.608 1.00 0.18 O ATOM 835 CB PHE A 54 -4.532 0.066 4.360 1.00 0.07 C ATOM 836 CG PHE A 54 -5.812 0.540 3.672 1.00 0.11 C ATOM 837 CD1 PHE A 54 -5.756 1.185 2.450 1.00 0.18 C ATOM 838 CD2 PHE A 54 -7.044 0.328 4.265 1.00 0.13 C ATOM 839 CE1 PHE A 54 -6.913 1.611 1.831 1.00 0.24 C ATOM 840 CE2 PHE A 54 -8.200 0.755 3.644 1.00 0.20 C ATOM 841 CZ PHE A 54 -8.134 1.396 2.428 1.00 0.25 C ATOM 0 H PHE A 54 -5.328 -2.468 5.277 1.00 0.13 H new ATOM 0 HA PHE A 54 -4.086 -1.346 2.784 1.00 0.12 H new ATOM 0 HB2 PHE A 54 -4.667 0.063 5.442 1.00 0.07 H new ATOM 0 HB3 PHE A 54 -3.714 0.752 4.143 1.00 0.07 H new ATOM 0 HD1 PHE A 54 -4.800 1.356 1.977 1.00 0.18 H new ATOM 0 HD2 PHE A 54 -7.101 -0.174 5.219 1.00 0.13 H new ATOM 0 HE1 PHE A 54 -6.860 2.114 0.877 1.00 0.24 H new ATOM 0 HE2 PHE A 54 -9.158 0.586 4.113 1.00 0.20 H new ATOM 0 HZ PHE A 54 -9.039 1.730 1.943 1.00 0.25 H new ATOM 851 N LEU A 55 -1.798 -1.611 3.745 1.00 0.22 N ATOM 852 CA LEU A 55 -0.453 -1.992 4.270 1.00 0.27 C ATOM 853 C LEU A 55 0.546 -0.858 4.005 1.00 0.20 C ATOM 854 O LEU A 55 0.338 -0.035 3.136 1.00 0.15 O ATOM 855 CB LEU A 55 0.036 -3.266 3.569 1.00 0.35 C ATOM 856 CG LEU A 55 -1.159 -4.195 3.265 1.00 0.24 C ATOM 857 CD1 LEU A 55 -1.950 -3.678 2.058 1.00 0.41 C ATOM 858 CD2 LEU A 55 -0.633 -5.588 2.928 1.00 0.37 C ATOM 0 H LEU A 55 -1.805 -1.232 2.798 1.00 0.22 H new ATOM 0 HA LEU A 55 -0.529 -2.171 5.343 1.00 0.27 H new ATOM 0 HB2 LEU A 55 0.550 -3.007 2.643 1.00 0.35 H new ATOM 0 HB3 LEU A 55 0.758 -3.784 4.200 1.00 0.35 H new ATOM 0 HG LEU A 55 -1.809 -4.224 4.140 1.00 0.24 H new ATOM 0 HD11 LEU A 55 -2.788 -4.346 1.859 1.00 0.41 H new ATOM 0 HD12 LEU A 55 -2.326 -2.677 2.271 1.00 0.41 H new ATOM 0 HD13 LEU A 55 -1.299 -3.643 1.184 1.00 0.41 H new ATOM 0 HD21 LEU A 55 -1.471 -6.251 2.712 1.00 0.37 H new ATOM 0 HD22 LEU A 55 0.018 -5.530 2.056 1.00 0.37 H new ATOM 0 HD23 LEU A 55 -0.070 -5.979 3.775 1.00 0.37 H new ATOM 870 N GLU A 56 1.606 -0.847 4.766 1.00 0.32 N ATOM 871 CA GLU A 56 2.650 0.212 4.587 1.00 0.26 C ATOM 872 C GLU A 56 4.029 -0.450 4.507 1.00 0.23 C ATOM 873 O GLU A 56 4.494 -1.023 5.473 1.00 0.23 O ATOM 874 CB GLU A 56 2.610 1.163 5.782 1.00 0.29 C ATOM 875 CG GLU A 56 3.713 2.212 5.622 1.00 0.59 C ATOM 876 CD GLU A 56 3.127 3.603 5.869 1.00 0.97 C ATOM 877 OE1 GLU A 56 2.373 4.033 5.012 1.00 2.15 O ATOM 878 OE2 GLU A 56 3.466 4.158 6.902 1.00 1.24 O ATOM 0 H GLU A 56 1.798 -1.524 5.505 1.00 0.32 H new ATOM 0 HA GLU A 56 2.459 0.770 3.670 1.00 0.26 H new ATOM 0 HB2 GLU A 56 1.636 1.648 5.845 1.00 0.29 H new ATOM 0 HB3 GLU A 56 2.750 0.608 6.710 1.00 0.29 H new ATOM 0 HG2 GLU A 56 4.522 2.016 6.325 1.00 0.59 H new ATOM 0 HG3 GLU A 56 4.140 2.157 4.621 1.00 0.59 H new ATOM 885 N VAL A 57 4.655 -0.356 3.362 1.00 0.21 N ATOM 886 CA VAL A 57 5.997 -1.004 3.206 1.00 0.18 C ATOM 887 C VAL A 57 7.123 0.030 3.286 1.00 0.13 C ATOM 888 O VAL A 57 7.003 1.129 2.781 1.00 0.16 O ATOM 889 CB VAL A 57 6.057 -1.707 1.852 1.00 0.19 C ATOM 890 CG1 VAL A 57 7.435 -2.349 1.681 1.00 0.24 C ATOM 891 CG2 VAL A 57 4.986 -2.796 1.804 1.00 0.27 C ATOM 0 H VAL A 57 4.304 0.133 2.539 1.00 0.21 H new ATOM 0 HA VAL A 57 6.131 -1.722 4.016 1.00 0.18 H new ATOM 0 HB VAL A 57 5.884 -0.985 1.053 1.00 0.19 H new ATOM 0 HG11 VAL A 57 7.484 -2.853 0.716 1.00 0.24 H new ATOM 0 HG12 VAL A 57 8.204 -1.578 1.728 1.00 0.24 H new ATOM 0 HG13 VAL A 57 7.600 -3.074 2.478 1.00 0.24 H new ATOM 0 HG21 VAL A 57 5.024 -3.302 0.839 1.00 0.27 H new ATOM 0 HG22 VAL A 57 5.166 -3.519 2.600 1.00 0.27 H new ATOM 0 HG23 VAL A 57 4.003 -2.345 1.939 1.00 0.27 H new ATOM 901 N ASP A 58 8.198 -0.355 3.924 1.00 0.11 N ATOM 902 CA ASP A 58 9.361 0.570 4.047 1.00 0.15 C ATOM 903 C ASP A 58 10.437 0.185 3.024 1.00 0.14 C ATOM 904 O ASP A 58 11.027 -0.873 3.109 1.00 0.17 O ATOM 905 CB ASP A 58 9.936 0.459 5.459 1.00 0.22 C ATOM 906 CG ASP A 58 10.941 1.590 5.696 1.00 0.25 C ATOM 907 OD1 ASP A 58 10.938 2.501 4.884 1.00 0.98 O ATOM 908 OD2 ASP A 58 11.658 1.478 6.677 1.00 1.08 O ATOM 0 H ASP A 58 8.320 -1.267 4.364 1.00 0.11 H new ATOM 0 HA ASP A 58 9.038 1.594 3.858 1.00 0.15 H new ATOM 0 HB2 ASP A 58 9.133 0.512 6.194 1.00 0.22 H new ATOM 0 HB3 ASP A 58 10.424 -0.507 5.589 1.00 0.22 H new ATOM 913 N VAL A 59 10.668 1.052 2.079 1.00 0.14 N ATOM 914 CA VAL A 59 11.695 0.746 1.038 1.00 0.18 C ATOM 915 C VAL A 59 13.107 0.845 1.625 1.00 0.26 C ATOM 916 O VAL A 59 14.076 0.934 0.897 1.00 0.42 O ATOM 917 CB VAL A 59 11.548 1.744 -0.109 1.00 0.19 C ATOM 918 CG1 VAL A 59 10.149 1.611 -0.716 1.00 0.12 C ATOM 919 CG2 VAL A 59 11.726 3.164 0.434 1.00 0.23 C ATOM 0 H VAL A 59 10.197 1.951 1.980 1.00 0.14 H new ATOM 0 HA VAL A 59 11.543 -0.271 0.676 1.00 0.18 H new ATOM 0 HB VAL A 59 12.301 1.543 -0.871 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.039 2.321 -1.535 1.00 0.12 H new ATOM 0 HG12 VAL A 59 10.011 0.598 -1.093 1.00 0.12 H new ATOM 0 HG13 VAL A 59 9.400 1.819 0.048 1.00 0.12 H new ATOM 0 HG21 VAL A 59 11.622 3.881 -0.381 1.00 0.23 H new ATOM 0 HG22 VAL A 59 10.967 3.362 1.191 1.00 0.23 H new ATOM 0 HG23 VAL A 59 12.716 3.262 0.879 1.00 0.23 H new ATOM 929 N ASP A 60 13.190 0.825 2.930 1.00 0.19 N ATOM 930 CA ASP A 60 14.530 0.918 3.588 1.00 0.26 C ATOM 931 C ASP A 60 14.948 -0.447 4.145 1.00 0.30 C ATOM 932 O ASP A 60 16.055 -0.896 3.923 1.00 0.34 O ATOM 933 CB ASP A 60 14.451 1.930 4.727 1.00 0.27 C ATOM 934 CG ASP A 60 15.788 1.965 5.470 1.00 0.37 C ATOM 935 OD1 ASP A 60 16.736 2.426 4.856 1.00 0.98 O ATOM 936 OD2 ASP A 60 15.785 1.531 6.610 1.00 1.00 O ATOM 0 H ASP A 60 12.396 0.749 3.565 1.00 0.19 H new ATOM 0 HA ASP A 60 15.270 1.236 2.853 1.00 0.26 H new ATOM 0 HB2 ASP A 60 14.215 2.919 4.334 1.00 0.27 H new ATOM 0 HB3 ASP A 60 13.648 1.660 5.413 1.00 0.27 H new ATOM 941 N ASP A 61 14.048 -1.078 4.856 1.00 0.29 N ATOM 942 CA ASP A 61 14.373 -2.416 5.442 1.00 0.33 C ATOM 943 C ASP A 61 13.703 -3.531 4.630 1.00 0.31 C ATOM 944 O ASP A 61 14.080 -4.683 4.729 1.00 0.43 O ATOM 945 CB ASP A 61 13.866 -2.464 6.882 1.00 0.34 C ATOM 946 CG ASP A 61 14.336 -3.762 7.542 1.00 0.57 C ATOM 947 OD1 ASP A 61 15.468 -3.759 7.997 1.00 1.41 O ATOM 948 OD2 ASP A 61 13.537 -4.684 7.553 1.00 0.55 O ATOM 0 H ASP A 61 13.110 -0.730 5.055 1.00 0.29 H new ATOM 0 HA ASP A 61 15.453 -2.564 5.418 1.00 0.33 H new ATOM 0 HB2 ASP A 61 14.238 -1.604 7.439 1.00 0.34 H new ATOM 0 HB3 ASP A 61 12.778 -2.408 6.898 1.00 0.34 H new ATOM 953 N CYS A 62 12.722 -3.161 3.845 1.00 0.17 N ATOM 954 CA CYS A 62 12.004 -4.183 3.017 1.00 0.15 C ATOM 955 C CYS A 62 12.353 -4.012 1.535 1.00 0.18 C ATOM 956 O CYS A 62 11.515 -4.194 0.674 1.00 0.19 O ATOM 957 CB CYS A 62 10.499 -4.001 3.206 1.00 0.15 C ATOM 958 SG CYS A 62 9.903 -3.704 4.889 1.00 0.15 S ATOM 0 H CYS A 62 12.388 -2.203 3.741 1.00 0.17 H new ATOM 0 HA CYS A 62 12.308 -5.180 3.335 1.00 0.15 H new ATOM 0 HB2 CYS A 62 10.179 -3.166 2.583 1.00 0.15 H new ATOM 0 HB3 CYS A 62 10.001 -4.892 2.824 1.00 0.15 H new ATOM 0 HG CYS A 62 8.610 -3.570 4.874 1.00 0.15 H new ATOM 964 N GLN A 63 13.582 -3.668 1.268 1.00 0.21 N ATOM 965 CA GLN A 63 13.997 -3.481 -0.149 1.00 0.26 C ATOM 966 C GLN A 63 13.739 -4.759 -0.952 1.00 0.26 C ATOM 967 O GLN A 63 13.795 -4.755 -2.166 1.00 0.30 O ATOM 968 CB GLN A 63 15.485 -3.140 -0.197 1.00 0.29 C ATOM 969 CG GLN A 63 16.229 -3.989 0.835 1.00 1.73 C ATOM 970 CD GLN A 63 17.625 -4.322 0.304 1.00 2.21 C ATOM 971 OE1 GLN A 63 17.778 -4.864 -0.773 1.00 2.88 O ATOM 972 NE2 GLN A 63 18.667 -4.015 1.025 1.00 2.27 N ATOM 0 H GLN A 63 14.311 -3.509 1.963 1.00 0.21 H new ATOM 0 HA GLN A 63 13.416 -2.669 -0.586 1.00 0.26 H new ATOM 0 HB2 GLN A 63 15.882 -3.329 -1.195 1.00 0.29 H new ATOM 0 HB3 GLN A 63 15.634 -2.080 0.010 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.306 -3.450 1.779 1.00 1.73 H new ATOM 0 HG3 GLN A 63 15.675 -4.906 1.036 1.00 1.73 H new ATOM 0 HE21 GLN A 63 18.545 -3.560 1.930 1.00 2.27 H new ATOM 0 HE22 GLN A 63 19.604 -4.230 0.684 1.00 2.27 H new ATOM 981 N ASP A 64 13.461 -5.825 -0.257 1.00 0.24 N ATOM 982 CA ASP A 64 13.199 -7.108 -0.959 1.00 0.26 C ATOM 983 C ASP A 64 11.821 -7.080 -1.611 1.00 0.26 C ATOM 984 O ASP A 64 11.636 -7.555 -2.714 1.00 0.39 O ATOM 985 CB ASP A 64 13.265 -8.254 0.049 1.00 0.24 C ATOM 986 CG ASP A 64 12.652 -7.798 1.374 1.00 0.08 C ATOM 987 OD1 ASP A 64 13.375 -7.144 2.108 1.00 0.82 O ATOM 988 OD2 ASP A 64 11.495 -8.127 1.578 1.00 0.71 O ATOM 0 H ASP A 64 13.404 -5.863 0.761 1.00 0.24 H new ATOM 0 HA ASP A 64 13.952 -7.253 -1.734 1.00 0.26 H new ATOM 0 HB2 ASP A 64 12.728 -9.122 -0.334 1.00 0.24 H new ATOM 0 HB3 ASP A 64 14.300 -8.561 0.200 1.00 0.24 H new ATOM 993 N VAL A 65 10.885 -6.522 -0.911 1.00 0.14 N ATOM 994 CA VAL A 65 9.507 -6.442 -1.456 1.00 0.14 C ATOM 995 C VAL A 65 9.399 -5.302 -2.460 1.00 0.13 C ATOM 996 O VAL A 65 8.801 -5.445 -3.507 1.00 0.10 O ATOM 997 CB VAL A 65 8.539 -6.205 -0.316 1.00 0.15 C ATOM 998 CG1 VAL A 65 7.107 -6.411 -0.815 1.00 0.14 C ATOM 999 CG2 VAL A 65 8.833 -7.200 0.807 1.00 0.24 C ATOM 0 H VAL A 65 11.012 -6.117 0.016 1.00 0.14 H new ATOM 0 HA VAL A 65 9.267 -7.377 -1.962 1.00 0.14 H new ATOM 0 HB VAL A 65 8.652 -5.187 0.056 1.00 0.15 H new ATOM 0 HG11 VAL A 65 6.408 -6.241 0.004 1.00 0.14 H new ATOM 0 HG12 VAL A 65 6.898 -5.708 -1.622 1.00 0.14 H new ATOM 0 HG13 VAL A 65 6.993 -7.431 -1.183 1.00 0.14 H new ATOM 0 HG21 VAL A 65 8.139 -7.034 1.631 1.00 0.24 H new ATOM 0 HG22 VAL A 65 8.715 -8.217 0.432 1.00 0.24 H new ATOM 0 HG23 VAL A 65 9.855 -7.059 1.159 1.00 0.24 H new ATOM 1009 N ALA A 66 9.980 -4.196 -2.119 1.00 0.18 N ATOM 1010 CA ALA A 66 9.929 -3.036 -3.040 1.00 0.21 C ATOM 1011 C ALA A 66 10.523 -3.429 -4.382 1.00 0.27 C ATOM 1012 O ALA A 66 9.921 -3.241 -5.419 1.00 0.35 O ATOM 1013 CB ALA A 66 10.732 -1.882 -2.444 1.00 0.17 C ATOM 0 H ALA A 66 10.486 -4.043 -1.247 1.00 0.18 H new ATOM 0 HA ALA A 66 8.894 -2.725 -3.180 1.00 0.21 H new ATOM 0 HB1 ALA A 66 10.696 -1.027 -3.119 1.00 0.17 H new ATOM 0 HB2 ALA A 66 10.306 -1.602 -1.481 1.00 0.17 H new ATOM 0 HB3 ALA A 66 11.768 -2.192 -2.306 1.00 0.17 H new ATOM 1019 N SER A 67 11.692 -3.978 -4.325 1.00 0.25 N ATOM 1020 CA SER A 67 12.361 -4.405 -5.579 1.00 0.32 C ATOM 1021 C SER A 67 11.472 -5.400 -6.322 1.00 0.41 C ATOM 1022 O SER A 67 11.706 -5.713 -7.473 1.00 0.45 O ATOM 1023 CB SER A 67 13.697 -5.063 -5.238 1.00 0.32 C ATOM 1024 OG SER A 67 14.297 -5.305 -6.502 1.00 1.00 O ATOM 0 H SER A 67 12.217 -4.151 -3.468 1.00 0.25 H new ATOM 0 HA SER A 67 12.534 -3.537 -6.215 1.00 0.32 H new ATOM 0 HB2 SER A 67 14.316 -4.412 -4.621 1.00 0.32 H new ATOM 0 HB3 SER A 67 13.555 -5.989 -4.681 1.00 0.32 H new ATOM 0 HG SER A 67 13.600 -5.491 -7.165 1.00 1.00 H new ATOM 1030 N GLU A 68 10.468 -5.873 -5.643 1.00 0.43 N ATOM 1031 CA GLU A 68 9.544 -6.841 -6.275 1.00 0.51 C ATOM 1032 C GLU A 68 8.559 -6.103 -7.175 1.00 0.55 C ATOM 1033 O GLU A 68 8.177 -6.588 -8.222 1.00 0.61 O ATOM 1034 CB GLU A 68 8.784 -7.591 -5.183 1.00 0.50 C ATOM 1035 CG GLU A 68 8.451 -8.996 -5.681 1.00 0.33 C ATOM 1036 CD GLU A 68 7.699 -8.897 -7.010 1.00 1.71 C ATOM 1037 OE1 GLU A 68 6.522 -8.583 -6.944 1.00 2.54 O ATOM 1038 OE2 GLU A 68 8.345 -9.140 -8.017 1.00 2.34 O ATOM 0 H GLU A 68 10.250 -5.629 -4.677 1.00 0.43 H new ATOM 0 HA GLU A 68 10.112 -7.549 -6.879 1.00 0.51 H new ATOM 0 HB2 GLU A 68 9.386 -7.646 -4.276 1.00 0.50 H new ATOM 0 HB3 GLU A 68 7.869 -7.056 -4.926 1.00 0.50 H new ATOM 0 HG2 GLU A 68 9.366 -9.575 -5.810 1.00 0.33 H new ATOM 0 HG3 GLU A 68 7.843 -9.521 -4.944 1.00 0.33 H new ATOM 1045 N CYS A 69 8.174 -4.943 -6.743 1.00 0.52 N ATOM 1046 CA CYS A 69 7.218 -4.136 -7.553 1.00 0.57 C ATOM 1047 C CYS A 69 7.989 -3.288 -8.570 1.00 0.57 C ATOM 1048 O CYS A 69 7.406 -2.544 -9.333 1.00 0.64 O ATOM 1049 CB CYS A 69 6.418 -3.224 -6.624 1.00 0.55 C ATOM 1050 SG CYS A 69 5.025 -3.962 -5.735 1.00 0.65 S ATOM 0 H CYS A 69 8.476 -4.515 -5.868 1.00 0.52 H new ATOM 0 HA CYS A 69 6.539 -4.802 -8.086 1.00 0.57 H new ATOM 0 HB2 CYS A 69 7.105 -2.806 -5.888 1.00 0.55 H new ATOM 0 HB3 CYS A 69 6.038 -2.390 -7.215 1.00 0.55 H new ATOM 0 HG CYS A 69 4.879 -3.368 -4.588 1.00 0.65 H new ATOM 1056 N GLU A 70 9.290 -3.421 -8.551 1.00 0.51 N ATOM 1057 CA GLU A 70 10.127 -2.639 -9.508 1.00 0.53 C ATOM 1058 C GLU A 70 9.864 -1.140 -9.348 1.00 0.47 C ATOM 1059 O GLU A 70 9.677 -0.434 -10.318 1.00 0.54 O ATOM 1060 CB GLU A 70 9.788 -3.068 -10.936 1.00 0.67 C ATOM 1061 CG GLU A 70 10.845 -2.511 -11.892 1.00 1.50 C ATOM 1062 CD GLU A 70 11.862 -3.607 -12.217 1.00 1.00 C ATOM 1063 OE1 GLU A 70 12.662 -3.880 -11.337 1.00 2.06 O ATOM 1064 OE2 GLU A 70 11.782 -4.109 -13.326 1.00 0.91 O ATOM 0 H GLU A 70 9.806 -4.033 -7.919 1.00 0.51 H new ATOM 0 HA GLU A 70 11.179 -2.832 -9.300 1.00 0.53 H new ATOM 0 HB2 GLU A 70 9.756 -4.155 -11.004 1.00 0.67 H new ATOM 0 HB3 GLU A 70 8.800 -2.702 -11.214 1.00 0.67 H new ATOM 0 HG2 GLU A 70 10.372 -2.155 -12.807 1.00 1.50 H new ATOM 0 HG3 GLU A 70 11.347 -1.656 -11.439 1.00 1.50 H new ATOM 1071 N VAL A 71 9.856 -0.687 -8.125 1.00 0.36 N ATOM 1072 CA VAL A 71 9.610 0.768 -7.890 1.00 0.35 C ATOM 1073 C VAL A 71 10.820 1.588 -8.341 1.00 0.38 C ATOM 1074 O VAL A 71 11.911 1.070 -8.474 1.00 0.59 O ATOM 1075 CB VAL A 71 9.366 1.013 -6.400 1.00 0.46 C ATOM 1076 CG1 VAL A 71 8.189 1.974 -6.236 1.00 0.61 C ATOM 1077 CG2 VAL A 71 9.031 -0.310 -5.713 1.00 0.69 C ATOM 0 H VAL A 71 10.007 -1.250 -7.288 1.00 0.36 H new ATOM 0 HA VAL A 71 8.735 1.073 -8.464 1.00 0.35 H new ATOM 0 HB VAL A 71 10.261 1.442 -5.950 1.00 0.46 H new ATOM 0 HG11 VAL A 71 8.010 2.153 -5.176 1.00 0.61 H new ATOM 0 HG12 VAL A 71 8.419 2.918 -6.729 1.00 0.61 H new ATOM 0 HG13 VAL A 71 7.297 1.537 -6.686 1.00 0.61 H new ATOM 0 HG21 VAL A 71 8.857 -0.135 -4.651 1.00 0.69 H new ATOM 0 HG22 VAL A 71 8.134 -0.736 -6.162 1.00 0.69 H new ATOM 0 HG23 VAL A 71 9.863 -1.004 -5.835 1.00 0.69 H new ATOM 1087 N LYS A 72 10.597 2.852 -8.567 1.00 0.40 N ATOM 1088 CA LYS A 72 11.720 3.732 -9.004 1.00 0.53 C ATOM 1089 C LYS A 72 11.583 5.113 -8.351 1.00 0.34 C ATOM 1090 O LYS A 72 12.345 6.016 -8.632 1.00 0.29 O ATOM 1091 CB LYS A 72 11.677 3.875 -10.529 1.00 0.91 C ATOM 1092 CG LYS A 72 12.927 4.622 -11.017 1.00 1.73 C ATOM 1093 CD LYS A 72 12.507 5.963 -11.621 1.00 3.31 C ATOM 1094 CE LYS A 72 13.759 6.742 -12.029 1.00 4.02 C ATOM 1095 NZ LYS A 72 14.560 7.110 -10.827 1.00 4.10 N ATOM 0 H LYS A 72 9.692 3.313 -8.469 1.00 0.40 H new ATOM 0 HA LYS A 72 12.670 3.291 -8.702 1.00 0.53 H new ATOM 0 HB2 LYS A 72 11.626 2.891 -10.994 1.00 0.91 H new ATOM 0 HB3 LYS A 72 10.779 4.416 -10.828 1.00 0.91 H new ATOM 0 HG2 LYS A 72 13.616 4.783 -10.188 1.00 1.73 H new ATOM 0 HG3 LYS A 72 13.456 4.025 -11.760 1.00 1.73 H new ATOM 0 HD2 LYS A 72 11.866 5.801 -12.488 1.00 3.31 H new ATOM 0 HD3 LYS A 72 11.927 6.536 -10.898 1.00 3.31 H new ATOM 0 HE2 LYS A 72 14.365 6.140 -12.706 1.00 4.02 H new ATOM 0 HE3 LYS A 72 13.473 7.643 -12.572 1.00 4.02 H new ATOM 0 HZ1 LYS A 72 14.788 8.124 -10.859 1.00 4.10 H new ATOM 0 HZ2 LYS A 72 14.011 6.906 -9.968 1.00 4.10 H new ATOM 0 HZ3 LYS A 72 15.441 6.557 -10.814 1.00 4.10 H new ATOM 1109 N CYS A 73 10.614 5.243 -7.485 1.00 0.29 N ATOM 1110 CA CYS A 73 10.409 6.557 -6.810 1.00 0.34 C ATOM 1111 C CYS A 73 9.225 6.481 -5.848 1.00 0.30 C ATOM 1112 O CYS A 73 8.171 5.982 -6.188 1.00 0.43 O ATOM 1113 CB CYS A 73 10.139 7.627 -7.867 1.00 0.64 C ATOM 1114 SG CYS A 73 9.204 7.126 -9.334 1.00 0.86 S ATOM 0 H CYS A 73 9.962 4.505 -7.218 1.00 0.29 H new ATOM 0 HA CYS A 73 11.305 6.811 -6.244 1.00 0.34 H new ATOM 0 HB2 CYS A 73 9.603 8.446 -7.388 1.00 0.64 H new ATOM 0 HB3 CYS A 73 11.099 8.024 -8.198 1.00 0.64 H new ATOM 0 HG CYS A 73 9.061 8.146 -10.127 1.00 0.86 H new ATOM 1120 N THR A 74 9.431 6.984 -4.664 1.00 0.25 N ATOM 1121 CA THR A 74 8.341 6.960 -3.650 1.00 0.18 C ATOM 1122 C THR A 74 7.661 8.346 -3.598 1.00 0.13 C ATOM 1123 O THR A 74 8.271 9.339 -3.941 1.00 0.14 O ATOM 1124 CB THR A 74 8.970 6.635 -2.286 1.00 0.21 C ATOM 1125 OG1 THR A 74 10.190 7.369 -2.271 1.00 0.24 O ATOM 1126 CG2 THR A 74 9.386 5.170 -2.202 1.00 0.25 C ATOM 0 H THR A 74 10.305 7.410 -4.355 1.00 0.25 H new ATOM 0 HA THR A 74 7.592 6.210 -3.906 1.00 0.18 H new ATOM 0 HB THR A 74 8.267 6.863 -1.484 1.00 0.21 H new ATOM 0 HG1 THR A 74 10.655 7.214 -1.422 1.00 0.24 H new ATOM 0 HG21 THR A 74 9.827 4.973 -1.225 1.00 0.25 H new ATOM 0 HG22 THR A 74 8.511 4.535 -2.340 1.00 0.25 H new ATOM 0 HG23 THR A 74 10.117 4.954 -2.981 1.00 0.25 H new ATOM 1134 N PRO A 75 6.404 8.395 -3.172 1.00 0.09 N ATOM 1135 CA PRO A 75 5.609 7.215 -2.762 1.00 0.07 C ATOM 1136 C PRO A 75 5.062 6.464 -3.988 1.00 0.07 C ATOM 1137 O PRO A 75 4.831 7.056 -5.029 1.00 0.09 O ATOM 1138 CB PRO A 75 4.439 7.799 -1.964 1.00 0.07 C ATOM 1139 CG PRO A 75 4.438 9.339 -2.214 1.00 0.09 C ATOM 1140 CD PRO A 75 5.709 9.673 -3.019 1.00 0.07 C ATOM 0 HA PRO A 75 6.209 6.505 -2.193 1.00 0.07 H new ATOM 0 HB2 PRO A 75 3.496 7.356 -2.283 1.00 0.07 H new ATOM 0 HB3 PRO A 75 4.550 7.581 -0.902 1.00 0.07 H new ATOM 0 HG2 PRO A 75 3.545 9.639 -2.763 1.00 0.09 H new ATOM 0 HG3 PRO A 75 4.428 9.882 -1.269 1.00 0.09 H new ATOM 0 HD2 PRO A 75 5.461 10.106 -3.988 1.00 0.07 H new ATOM 0 HD3 PRO A 75 6.329 10.400 -2.495 1.00 0.07 H new ATOM 1148 N THR A 76 4.865 5.176 -3.831 1.00 0.09 N ATOM 1149 CA THR A 76 4.320 4.364 -4.960 1.00 0.12 C ATOM 1150 C THR A 76 3.144 3.519 -4.458 1.00 0.10 C ATOM 1151 O THR A 76 3.314 2.641 -3.636 1.00 0.14 O ATOM 1152 CB THR A 76 5.422 3.455 -5.515 1.00 0.17 C ATOM 1153 OG1 THR A 76 6.309 4.339 -6.194 1.00 0.30 O ATOM 1154 CG2 THR A 76 4.887 2.517 -6.596 1.00 0.21 C ATOM 0 H THR A 76 5.057 4.657 -2.974 1.00 0.09 H new ATOM 0 HA THR A 76 3.972 5.025 -5.754 1.00 0.12 H new ATOM 0 HB THR A 76 5.860 2.867 -4.709 1.00 0.17 H new ATOM 0 HG1 THR A 76 6.914 4.757 -5.546 1.00 0.30 H new ATOM 0 HG21 THR A 76 5.697 1.888 -6.966 1.00 0.21 H new ATOM 0 HG22 THR A 76 4.102 1.888 -6.176 1.00 0.21 H new ATOM 0 HG23 THR A 76 4.480 3.105 -7.419 1.00 0.21 H new ATOM 1162 N PHE A 77 1.973 3.801 -4.966 1.00 0.16 N ATOM 1163 CA PHE A 77 0.776 3.034 -4.511 1.00 0.16 C ATOM 1164 C PHE A 77 0.555 1.798 -5.377 1.00 0.17 C ATOM 1165 O PHE A 77 0.602 1.868 -6.589 1.00 0.16 O ATOM 1166 CB PHE A 77 -0.455 3.929 -4.596 1.00 0.13 C ATOM 1167 CG PHE A 77 -0.437 4.918 -3.435 1.00 0.14 C ATOM 1168 CD1 PHE A 77 -0.578 4.468 -2.135 1.00 0.17 C ATOM 1169 CD2 PHE A 77 -0.281 6.274 -3.665 1.00 0.16 C ATOM 1170 CE1 PHE A 77 -0.564 5.360 -1.083 1.00 0.18 C ATOM 1171 CE2 PHE A 77 -0.266 7.163 -2.610 1.00 0.20 C ATOM 1172 CZ PHE A 77 -0.408 6.706 -1.322 1.00 0.19 C ATOM 0 H PHE A 77 1.794 4.520 -5.667 1.00 0.16 H new ATOM 0 HA PHE A 77 0.943 2.712 -3.483 1.00 0.16 H new ATOM 0 HB2 PHE A 77 -0.465 4.464 -5.545 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.362 3.325 -4.561 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -0.700 3.412 -1.942 1.00 0.17 H new ATOM 0 HD2 PHE A 77 -0.170 6.638 -4.676 1.00 0.16 H new ATOM 0 HE1 PHE A 77 -0.676 5.001 -0.070 1.00 0.18 H new ATOM 0 HE2 PHE A 77 -0.142 8.220 -2.797 1.00 0.20 H new ATOM 0 HZ PHE A 77 -0.397 7.403 -0.497 1.00 0.19 H new ATOM 1182 N GLN A 78 0.320 0.692 -4.724 1.00 0.22 N ATOM 1183 CA GLN A 78 0.071 -0.578 -5.472 1.00 0.25 C ATOM 1184 C GLN A 78 -1.282 -1.173 -5.066 1.00 0.24 C ATOM 1185 O GLN A 78 -1.743 -0.974 -3.960 1.00 0.24 O ATOM 1186 CB GLN A 78 1.178 -1.565 -5.140 1.00 0.33 C ATOM 1187 CG GLN A 78 1.870 -2.021 -6.428 1.00 0.62 C ATOM 1188 CD GLN A 78 2.653 -0.848 -7.027 1.00 1.07 C ATOM 1189 OE1 GLN A 78 2.093 0.045 -7.633 1.00 2.47 O ATOM 1190 NE2 GLN A 78 3.950 -0.813 -6.881 1.00 0.78 N ATOM 0 H GLN A 78 0.289 0.611 -3.708 1.00 0.22 H new ATOM 0 HA GLN A 78 0.058 -0.373 -6.543 1.00 0.25 H new ATOM 0 HB2 GLN A 78 1.903 -1.101 -4.471 1.00 0.33 H new ATOM 0 HB3 GLN A 78 0.765 -2.426 -4.614 1.00 0.33 H new ATOM 0 HG2 GLN A 78 2.543 -2.852 -6.218 1.00 0.62 H new ATOM 0 HG3 GLN A 78 1.131 -2.382 -7.143 1.00 0.62 H new ATOM 0 HE21 GLN A 78 4.426 -1.559 -6.374 1.00 0.78 H new ATOM 0 HE22 GLN A 78 4.487 -0.040 -7.274 1.00 0.78 H new ATOM 1199 N PHE A 79 -1.882 -1.892 -5.980 1.00 0.25 N ATOM 1200 CA PHE A 79 -3.213 -2.513 -5.691 1.00 0.24 C ATOM 1201 C PHE A 79 -3.104 -4.042 -5.778 1.00 0.29 C ATOM 1202 O PHE A 79 -2.745 -4.574 -6.810 1.00 0.28 O ATOM 1203 CB PHE A 79 -4.224 -2.025 -6.732 1.00 0.22 C ATOM 1204 CG PHE A 79 -4.593 -0.556 -6.467 1.00 0.21 C ATOM 1205 CD1 PHE A 79 -3.639 0.446 -6.572 1.00 0.20 C ATOM 1206 CD2 PHE A 79 -5.891 -0.210 -6.121 1.00 0.22 C ATOM 1207 CE1 PHE A 79 -3.981 1.764 -6.337 1.00 0.23 C ATOM 1208 CE2 PHE A 79 -6.226 1.107 -5.886 1.00 0.23 C ATOM 1209 CZ PHE A 79 -5.274 2.092 -5.994 1.00 0.25 C ATOM 0 H PHE A 79 -1.510 -2.076 -6.912 1.00 0.25 H new ATOM 0 HA PHE A 79 -3.536 -2.230 -4.689 1.00 0.24 H new ATOM 0 HB2 PHE A 79 -3.804 -2.127 -7.733 1.00 0.22 H new ATOM 0 HB3 PHE A 79 -5.120 -2.644 -6.697 1.00 0.22 H new ATOM 0 HD1 PHE A 79 -2.623 0.194 -6.839 1.00 0.20 H new ATOM 0 HD2 PHE A 79 -6.645 -0.978 -6.035 1.00 0.22 H new ATOM 0 HE1 PHE A 79 -3.233 2.538 -6.422 1.00 0.23 H new ATOM 0 HE2 PHE A 79 -7.239 1.365 -5.616 1.00 0.23 H new ATOM 0 HZ PHE A 79 -5.539 3.123 -5.810 1.00 0.25 H new ATOM 1219 N PHE A 80 -3.417 -4.715 -4.693 1.00 0.34 N ATOM 1220 CA PHE A 80 -3.337 -6.213 -4.698 1.00 0.40 C ATOM 1221 C PHE A 80 -4.706 -6.815 -4.363 1.00 0.42 C ATOM 1222 O PHE A 80 -5.474 -6.239 -3.617 1.00 0.38 O ATOM 1223 CB PHE A 80 -2.319 -6.660 -3.650 1.00 0.44 C ATOM 1224 CG PHE A 80 -0.905 -6.396 -4.168 1.00 0.38 C ATOM 1225 CD1 PHE A 80 -0.349 -7.204 -5.144 1.00 0.35 C ATOM 1226 CD2 PHE A 80 -0.162 -5.345 -3.664 1.00 0.37 C ATOM 1227 CE1 PHE A 80 0.928 -6.962 -5.606 1.00 0.32 C ATOM 1228 CE2 PHE A 80 1.115 -5.108 -4.127 1.00 0.34 C ATOM 1229 CZ PHE A 80 1.658 -5.915 -5.096 1.00 0.31 C ATOM 0 H PHE A 80 -3.721 -4.297 -3.814 1.00 0.34 H new ATOM 0 HA PHE A 80 -3.032 -6.554 -5.687 1.00 0.40 H new ATOM 0 HB2 PHE A 80 -2.482 -6.122 -2.716 1.00 0.44 H new ATOM 0 HB3 PHE A 80 -2.446 -7.721 -3.433 1.00 0.44 H new ATOM 0 HD1 PHE A 80 -0.918 -8.029 -5.546 1.00 0.35 H new ATOM 0 HD2 PHE A 80 -0.584 -4.706 -2.903 1.00 0.37 H new ATOM 0 HE1 PHE A 80 1.355 -7.596 -6.369 1.00 0.32 H new ATOM 0 HE2 PHE A 80 1.689 -4.286 -3.727 1.00 0.34 H new ATOM 0 HZ PHE A 80 2.658 -5.727 -5.457 1.00 0.31 H new ATOM 1239 N LYS A 81 -4.982 -7.961 -4.930 1.00 0.53 N ATOM 1240 CA LYS A 81 -6.293 -8.624 -4.656 1.00 0.56 C ATOM 1241 C LYS A 81 -6.091 -10.127 -4.475 1.00 0.75 C ATOM 1242 O LYS A 81 -5.649 -10.811 -5.377 1.00 0.73 O ATOM 1243 CB LYS A 81 -7.239 -8.372 -5.830 1.00 0.50 C ATOM 1244 CG LYS A 81 -8.683 -8.405 -5.327 1.00 0.64 C ATOM 1245 CD LYS A 81 -9.621 -8.628 -6.515 1.00 0.55 C ATOM 1246 CE LYS A 81 -11.069 -8.494 -6.043 1.00 0.67 C ATOM 1247 NZ LYS A 81 -11.978 -9.272 -6.931 1.00 1.28 N ATOM 0 H LYS A 81 -4.362 -8.463 -5.566 1.00 0.53 H new ATOM 0 HA LYS A 81 -6.722 -8.212 -3.742 1.00 0.56 H new ATOM 0 HB2 LYS A 81 -7.022 -7.406 -6.287 1.00 0.50 H new ATOM 0 HB3 LYS A 81 -7.092 -9.129 -6.600 1.00 0.50 H new ATOM 0 HG2 LYS A 81 -8.808 -9.202 -4.594 1.00 0.64 H new ATOM 0 HG3 LYS A 81 -8.928 -7.469 -4.825 1.00 0.64 H new ATOM 0 HD2 LYS A 81 -9.413 -7.901 -7.300 1.00 0.55 H new ATOM 0 HD3 LYS A 81 -9.456 -9.616 -6.944 1.00 0.55 H new ATOM 0 HE2 LYS A 81 -11.159 -8.851 -5.017 1.00 0.67 H new ATOM 0 HE3 LYS A 81 -11.362 -7.444 -6.042 1.00 0.67 H new ATOM 0 HZ1 LYS A 81 -12.958 -9.172 -6.598 1.00 1.28 H new ATOM 0 HZ2 LYS A 81 -11.904 -8.912 -7.904 1.00 1.28 H new ATOM 0 HZ3 LYS A 81 -11.707 -10.276 -6.911 1.00 1.28 H new ATOM 1261 N LYS A 82 -6.421 -10.612 -3.310 1.00 0.95 N ATOM 1262 CA LYS A 82 -6.243 -12.068 -3.050 1.00 1.14 C ATOM 1263 C LYS A 82 -4.826 -12.489 -3.438 1.00 0.88 C ATOM 1264 O LYS A 82 -4.528 -13.662 -3.546 1.00 0.87 O ATOM 1265 CB LYS A 82 -7.257 -12.856 -3.879 1.00 1.35 C ATOM 1266 CG LYS A 82 -7.996 -13.842 -2.969 1.00 1.89 C ATOM 1267 CD LYS A 82 -9.065 -14.578 -3.782 1.00 1.76 C ATOM 1268 CE LYS A 82 -8.396 -15.404 -4.886 1.00 1.83 C ATOM 1269 NZ LYS A 82 -8.371 -14.641 -6.165 1.00 2.03 N ATOM 0 H LYS A 82 -6.802 -10.070 -2.534 1.00 0.95 H new ATOM 0 HA LYS A 82 -6.400 -12.271 -1.991 1.00 1.14 H new ATOM 0 HB2 LYS A 82 -7.967 -12.176 -4.350 1.00 1.35 H new ATOM 0 HB3 LYS A 82 -6.750 -13.393 -4.681 1.00 1.35 H new ATOM 0 HG2 LYS A 82 -7.293 -14.556 -2.541 1.00 1.89 H new ATOM 0 HG3 LYS A 82 -8.458 -13.311 -2.137 1.00 1.89 H new ATOM 0 HD2 LYS A 82 -9.648 -15.229 -3.130 1.00 1.76 H new ATOM 0 HD3 LYS A 82 -9.760 -13.862 -4.221 1.00 1.76 H new ATOM 0 HE2 LYS A 82 -7.379 -15.662 -4.590 1.00 1.83 H new ATOM 0 HE3 LYS A 82 -8.935 -16.341 -5.025 1.00 1.83 H new ATOM 0 HZ1 LYS A 82 -9.003 -15.097 -6.853 1.00 2.03 H new ATOM 0 HZ2 LYS A 82 -8.690 -13.666 -5.994 1.00 2.03 H new ATOM 0 HZ3 LYS A 82 -7.402 -14.627 -6.542 1.00 2.03 H new ATOM 1283 N GLY A 83 -3.982 -11.514 -3.639 1.00 0.67 N ATOM 1284 CA GLY A 83 -2.577 -11.825 -4.020 1.00 0.44 C ATOM 1285 C GLY A 83 -2.395 -11.696 -5.532 1.00 0.20 C ATOM 1286 O GLY A 83 -1.681 -12.467 -6.142 1.00 0.48 O ATOM 0 H GLY A 83 -4.203 -10.522 -3.556 1.00 0.67 H new ATOM 0 HA2 GLY A 83 -1.895 -11.147 -3.506 1.00 0.44 H new ATOM 0 HA3 GLY A 83 -2.322 -12.836 -3.701 1.00 0.44 H new ATOM 1290 N GLN A 84 -3.048 -10.721 -6.107 1.00 0.49 N ATOM 1291 CA GLN A 84 -2.926 -10.524 -7.575 1.00 0.44 C ATOM 1292 C GLN A 84 -2.911 -9.028 -7.904 1.00 0.33 C ATOM 1293 O GLN A 84 -3.902 -8.345 -7.745 1.00 0.31 O ATOM 1294 CB GLN A 84 -4.112 -11.194 -8.263 1.00 0.83 C ATOM 1295 CG GLN A 84 -4.111 -10.810 -9.739 1.00 1.50 C ATOM 1296 CD GLN A 84 -5.000 -11.782 -10.517 1.00 1.46 C ATOM 1297 OE1 GLN A 84 -5.846 -11.381 -11.292 1.00 2.51 O ATOM 1298 NE2 GLN A 84 -4.842 -13.065 -10.343 1.00 0.46 N ATOM 0 H GLN A 84 -3.656 -10.058 -5.625 1.00 0.49 H new ATOM 0 HA GLN A 84 -1.995 -10.968 -7.928 1.00 0.44 H new ATOM 0 HB2 GLN A 84 -4.047 -12.277 -8.156 1.00 0.83 H new ATOM 0 HB3 GLN A 84 -5.045 -10.882 -7.793 1.00 0.83 H new ATOM 0 HG2 GLN A 84 -4.475 -9.790 -9.861 1.00 1.50 H new ATOM 0 HG3 GLN A 84 -3.095 -10.835 -10.132 1.00 1.50 H new ATOM 0 HE21 GLN A 84 -4.134 -13.408 -9.694 1.00 0.46 H new ATOM 0 HE22 GLN A 84 -5.427 -13.725 -10.856 1.00 0.46 H new ATOM 1307 N LYS A 85 -1.781 -8.553 -8.352 1.00 0.37 N ATOM 1308 CA LYS A 85 -1.674 -7.107 -8.694 1.00 0.30 C ATOM 1309 C LYS A 85 -2.676 -6.748 -9.800 1.00 0.29 C ATOM 1310 O LYS A 85 -2.568 -7.221 -10.915 1.00 0.44 O ATOM 1311 CB LYS A 85 -0.244 -6.824 -9.171 1.00 0.29 C ATOM 1312 CG LYS A 85 0.026 -5.314 -9.167 1.00 0.34 C ATOM 1313 CD LYS A 85 1.538 -5.080 -9.189 1.00 0.41 C ATOM 1314 CE LYS A 85 2.126 -5.703 -10.458 1.00 0.56 C ATOM 1315 NZ LYS A 85 3.484 -5.153 -10.726 1.00 0.72 N ATOM 0 H LYS A 85 -0.932 -9.100 -8.495 1.00 0.37 H new ATOM 0 HA LYS A 85 -1.901 -6.502 -7.816 1.00 0.30 H new ATOM 0 HB2 LYS A 85 0.471 -7.330 -8.522 1.00 0.29 H new ATOM 0 HB3 LYS A 85 -0.102 -7.224 -10.175 1.00 0.29 H new ATOM 0 HG2 LYS A 85 -0.440 -4.846 -10.034 1.00 0.34 H new ATOM 0 HG3 LYS A 85 -0.413 -4.855 -8.281 1.00 0.34 H new ATOM 0 HD2 LYS A 85 1.753 -4.012 -9.161 1.00 0.41 H new ATOM 0 HD3 LYS A 85 1.999 -5.521 -8.306 1.00 0.41 H new ATOM 0 HE2 LYS A 85 2.181 -6.786 -10.347 1.00 0.56 H new ATOM 0 HE3 LYS A 85 1.472 -5.502 -11.306 1.00 0.56 H new ATOM 0 HZ1 LYS A 85 3.904 -5.646 -11.540 1.00 0.72 H new ATOM 0 HZ2 LYS A 85 3.412 -4.137 -10.936 1.00 0.72 H new ATOM 0 HZ3 LYS A 85 4.086 -5.292 -9.889 1.00 0.72 H new ATOM 1329 N VAL A 86 -3.629 -5.913 -9.460 1.00 0.43 N ATOM 1330 CA VAL A 86 -4.664 -5.510 -10.466 1.00 0.42 C ATOM 1331 C VAL A 86 -4.519 -4.026 -10.828 1.00 0.38 C ATOM 1332 O VAL A 86 -5.082 -3.567 -11.803 1.00 0.49 O ATOM 1333 CB VAL A 86 -6.050 -5.750 -9.869 1.00 0.43 C ATOM 1334 CG1 VAL A 86 -6.328 -7.254 -9.832 1.00 0.59 C ATOM 1335 CG2 VAL A 86 -6.085 -5.199 -8.442 1.00 0.41 C ATOM 0 H VAL A 86 -3.735 -5.495 -8.536 1.00 0.43 H new ATOM 0 HA VAL A 86 -4.531 -6.103 -11.371 1.00 0.42 H new ATOM 0 HB VAL A 86 -6.804 -5.250 -10.477 1.00 0.43 H new ATOM 0 HG11 VAL A 86 -7.316 -7.431 -9.407 1.00 0.59 H new ATOM 0 HG12 VAL A 86 -6.291 -7.656 -10.845 1.00 0.59 H new ATOM 0 HG13 VAL A 86 -5.575 -7.748 -9.218 1.00 0.59 H new ATOM 0 HG21 VAL A 86 -7.072 -5.368 -8.011 1.00 0.41 H new ATOM 0 HG22 VAL A 86 -5.333 -5.707 -7.837 1.00 0.41 H new ATOM 0 HG23 VAL A 86 -5.875 -4.130 -8.460 1.00 0.41 H new ATOM 1345 N GLY A 87 -3.770 -3.306 -10.038 1.00 0.28 N ATOM 1346 CA GLY A 87 -3.589 -1.854 -10.331 1.00 0.25 C ATOM 1347 C GLY A 87 -2.289 -1.340 -9.714 1.00 0.25 C ATOM 1348 O GLY A 87 -1.726 -1.964 -8.837 1.00 0.32 O ATOM 0 H GLY A 87 -3.281 -3.653 -9.213 1.00 0.28 H new ATOM 0 HA2 GLY A 87 -3.575 -1.694 -11.409 1.00 0.25 H new ATOM 0 HA3 GLY A 87 -4.434 -1.289 -9.936 1.00 0.25 H new ATOM 1352 N GLU A 88 -1.837 -0.209 -10.185 1.00 0.25 N ATOM 1353 CA GLU A 88 -0.576 0.356 -9.627 1.00 0.22 C ATOM 1354 C GLU A 88 -0.272 1.721 -10.246 1.00 0.20 C ATOM 1355 O GLU A 88 -0.171 1.855 -11.450 1.00 0.22 O ATOM 1356 CB GLU A 88 0.574 -0.603 -9.931 1.00 0.24 C ATOM 1357 CG GLU A 88 0.359 -1.230 -11.311 1.00 1.36 C ATOM 1358 CD GLU A 88 1.717 -1.482 -11.968 1.00 1.04 C ATOM 1359 OE1 GLU A 88 2.517 -2.138 -11.321 1.00 1.03 O ATOM 1360 OE2 GLU A 88 1.879 -1.005 -13.079 1.00 1.69 O ATOM 0 H GLU A 88 -2.279 0.341 -10.921 1.00 0.25 H new ATOM 0 HA GLU A 88 -0.692 0.482 -8.550 1.00 0.22 H new ATOM 0 HB2 GLU A 88 1.524 -0.069 -9.905 1.00 0.24 H new ATOM 0 HB3 GLU A 88 0.625 -1.381 -9.169 1.00 0.24 H new ATOM 0 HG2 GLU A 88 -0.191 -2.166 -11.216 1.00 1.36 H new ATOM 0 HG3 GLU A 88 -0.242 -0.568 -11.934 1.00 1.36 H new ATOM 1367 N PHE A 89 -0.131 2.705 -9.403 1.00 0.18 N ATOM 1368 CA PHE A 89 0.183 4.064 -9.904 1.00 0.18 C ATOM 1369 C PHE A 89 0.955 4.844 -8.832 1.00 0.12 C ATOM 1370 O PHE A 89 0.626 4.785 -7.660 1.00 0.10 O ATOM 1371 CB PHE A 89 -1.125 4.759 -10.243 1.00 0.18 C ATOM 1372 CG PHE A 89 -1.657 5.532 -9.034 1.00 0.14 C ATOM 1373 CD1 PHE A 89 -1.162 6.787 -8.725 1.00 0.21 C ATOM 1374 CD2 PHE A 89 -2.646 4.985 -8.234 1.00 0.11 C ATOM 1375 CE1 PHE A 89 -1.650 7.482 -7.637 1.00 0.28 C ATOM 1376 CE2 PHE A 89 -3.132 5.682 -7.147 1.00 0.20 C ATOM 1377 CZ PHE A 89 -2.636 6.929 -6.851 1.00 0.28 C ATOM 0 H PHE A 89 -0.220 2.623 -8.390 1.00 0.18 H new ATOM 0 HA PHE A 89 0.807 4.010 -10.796 1.00 0.18 H new ATOM 0 HB2 PHE A 89 -0.974 5.442 -11.079 1.00 0.18 H new ATOM 0 HB3 PHE A 89 -1.862 4.022 -10.562 1.00 0.18 H new ATOM 0 HD1 PHE A 89 -0.389 7.225 -9.339 1.00 0.21 H new ATOM 0 HD2 PHE A 89 -3.040 4.006 -8.463 1.00 0.11 H new ATOM 0 HE1 PHE A 89 -1.258 8.461 -7.402 1.00 0.28 H new ATOM 0 HE2 PHE A 89 -3.903 5.247 -6.528 1.00 0.20 H new ATOM 0 HZ PHE A 89 -3.020 7.475 -6.002 1.00 0.28 H new ATOM 1387 N SER A 90 1.972 5.553 -9.257 1.00 0.10 N ATOM 1388 CA SER A 90 2.794 6.325 -8.274 1.00 0.06 C ATOM 1389 C SER A 90 2.479 7.819 -8.342 1.00 0.08 C ATOM 1390 O SER A 90 1.745 8.264 -9.202 1.00 0.19 O ATOM 1391 CB SER A 90 4.274 6.103 -8.583 1.00 0.08 C ATOM 1392 OG SER A 90 4.491 6.831 -9.784 1.00 0.12 O ATOM 0 H SER A 90 2.266 5.631 -10.231 1.00 0.10 H new ATOM 0 HA SER A 90 2.557 5.974 -7.270 1.00 0.06 H new ATOM 0 HB2 SER A 90 4.909 6.468 -7.776 1.00 0.08 H new ATOM 0 HB3 SER A 90 4.500 5.044 -8.712 1.00 0.08 H new ATOM 0 HG SER A 90 5.428 6.742 -10.055 1.00 0.12 H new ATOM 1398 N GLY A 91 3.052 8.557 -7.420 1.00 0.02 N ATOM 1399 CA GLY A 91 2.813 10.032 -7.386 1.00 0.07 C ATOM 1400 C GLY A 91 2.164 10.428 -6.058 1.00 0.11 C ATOM 1401 O GLY A 91 1.348 9.704 -5.524 1.00 0.15 O ATOM 0 H GLY A 91 3.672 8.201 -6.693 1.00 0.02 H new ATOM 0 HA2 GLY A 91 3.756 10.564 -7.512 1.00 0.07 H new ATOM 0 HA3 GLY A 91 2.169 10.323 -8.216 1.00 0.07 H new ATOM 1405 N ALA A 92 2.539 11.571 -5.552 1.00 0.15 N ATOM 1406 CA ALA A 92 1.951 12.028 -4.256 1.00 0.18 C ATOM 1407 C ALA A 92 0.495 12.470 -4.451 1.00 0.23 C ATOM 1408 O ALA A 92 0.023 13.367 -3.782 1.00 0.74 O ATOM 1409 CB ALA A 92 2.773 13.200 -3.721 1.00 0.21 C ATOM 0 H ALA A 92 3.219 12.204 -5.973 1.00 0.15 H new ATOM 0 HA ALA A 92 1.971 11.202 -3.546 1.00 0.18 H new ATOM 0 HB1 ALA A 92 2.350 13.539 -2.775 1.00 0.21 H new ATOM 0 HB2 ALA A 92 3.803 12.880 -3.564 1.00 0.21 H new ATOM 0 HB3 ALA A 92 2.753 14.018 -4.442 1.00 0.21 H new ATOM 1415 N ASN A 93 -0.186 11.831 -5.364 1.00 0.46 N ATOM 1416 CA ASN A 93 -1.612 12.201 -5.609 1.00 0.47 C ATOM 1417 C ASN A 93 -2.534 11.327 -4.750 1.00 0.56 C ATOM 1418 O ASN A 93 -2.823 10.200 -5.100 1.00 0.97 O ATOM 1419 CB ASN A 93 -1.934 11.987 -7.088 1.00 0.52 C ATOM 1420 CG ASN A 93 -3.064 12.931 -7.504 1.00 0.48 C ATOM 1421 OD1 ASN A 93 -3.148 13.353 -8.640 1.00 0.50 O ATOM 1422 ND2 ASN A 93 -3.954 13.285 -6.617 1.00 0.43 N ATOM 0 H ASN A 93 0.178 11.076 -5.946 1.00 0.46 H new ATOM 0 HA ASN A 93 -1.768 13.247 -5.343 1.00 0.47 H new ATOM 0 HB2 ASN A 93 -1.048 12.173 -7.695 1.00 0.52 H new ATOM 0 HB3 ASN A 93 -2.228 10.952 -7.261 1.00 0.52 H new ATOM 0 HD21 ASN A 93 -4.714 13.912 -6.880 1.00 0.43 H new ATOM 0 HD22 ASN A 93 -3.889 12.934 -5.661 1.00 0.43 H new ATOM 1429 N LYS A 94 -2.975 11.863 -3.643 1.00 0.43 N ATOM 1430 CA LYS A 94 -3.874 11.065 -2.756 1.00 0.55 C ATOM 1431 C LYS A 94 -5.340 11.265 -3.157 1.00 0.33 C ATOM 1432 O LYS A 94 -6.099 10.321 -3.218 1.00 0.27 O ATOM 1433 CB LYS A 94 -3.671 11.496 -1.299 1.00 0.84 C ATOM 1434 CG LYS A 94 -3.421 13.007 -1.237 1.00 0.31 C ATOM 1435 CD LYS A 94 -1.914 13.266 -1.202 1.00 1.28 C ATOM 1436 CE LYS A 94 -1.659 14.762 -1.394 1.00 1.32 C ATOM 1437 NZ LYS A 94 -1.932 15.160 -2.803 1.00 2.38 N ATOM 0 H LYS A 94 -2.756 12.804 -3.317 1.00 0.43 H new ATOM 0 HA LYS A 94 -3.626 10.009 -2.862 1.00 0.55 H new ATOM 0 HB2 LYS A 94 -4.550 11.239 -0.708 1.00 0.84 H new ATOM 0 HB3 LYS A 94 -2.827 10.960 -0.865 1.00 0.84 H new ATOM 0 HG2 LYS A 94 -3.866 13.497 -2.103 1.00 0.31 H new ATOM 0 HG3 LYS A 94 -3.896 13.430 -0.352 1.00 0.31 H new ATOM 0 HD2 LYS A 94 -1.497 12.932 -0.252 1.00 1.28 H new ATOM 0 HD3 LYS A 94 -1.416 12.696 -1.986 1.00 1.28 H new ATOM 0 HE2 LYS A 94 -2.294 15.335 -0.718 1.00 1.32 H new ATOM 0 HE3 LYS A 94 -0.626 14.997 -1.137 1.00 1.32 H new ATOM 0 HZ1 LYS A 94 -1.565 16.119 -2.970 1.00 2.38 H new ATOM 0 HZ2 LYS A 94 -1.464 14.493 -3.449 1.00 2.38 H new ATOM 0 HZ3 LYS A 94 -2.958 15.147 -2.975 1.00 2.38 H new ATOM 1451 N GLU A 95 -5.712 12.485 -3.423 1.00 0.35 N ATOM 1452 CA GLU A 95 -7.121 12.738 -3.825 1.00 0.39 C ATOM 1453 C GLU A 95 -7.521 11.754 -4.930 1.00 0.29 C ATOM 1454 O GLU A 95 -8.689 11.554 -5.202 1.00 0.43 O ATOM 1455 CB GLU A 95 -7.244 14.175 -4.338 1.00 0.54 C ATOM 1456 CG GLU A 95 -8.686 14.436 -4.784 1.00 0.86 C ATOM 1457 CD GLU A 95 -8.744 14.448 -6.313 1.00 2.14 C ATOM 1458 OE1 GLU A 95 -8.213 15.396 -6.867 1.00 2.46 O ATOM 1459 OE2 GLU A 95 -9.317 13.509 -6.841 1.00 3.16 O ATOM 0 H GLU A 95 -5.110 13.307 -3.380 1.00 0.35 H new ATOM 0 HA GLU A 95 -7.782 12.600 -2.969 1.00 0.39 H new ATOM 0 HB2 GLU A 95 -6.962 14.878 -3.554 1.00 0.54 H new ATOM 0 HB3 GLU A 95 -6.560 14.335 -5.171 1.00 0.54 H new ATOM 0 HG2 GLU A 95 -9.347 13.665 -4.389 1.00 0.86 H new ATOM 0 HG3 GLU A 95 -9.035 15.389 -4.387 1.00 0.86 H new ATOM 1466 N LYS A 96 -6.534 11.156 -5.539 1.00 0.16 N ATOM 1467 CA LYS A 96 -6.822 10.183 -6.630 1.00 0.30 C ATOM 1468 C LYS A 96 -7.087 8.790 -6.034 1.00 0.25 C ATOM 1469 O LYS A 96 -7.948 8.072 -6.501 1.00 0.29 O ATOM 1470 CB LYS A 96 -5.611 10.125 -7.573 1.00 0.44 C ATOM 1471 CG LYS A 96 -5.939 9.255 -8.805 1.00 0.74 C ATOM 1472 CD LYS A 96 -6.776 10.061 -9.813 1.00 1.86 C ATOM 1473 CE LYS A 96 -7.999 9.238 -10.222 1.00 3.23 C ATOM 1474 NZ LYS A 96 -7.579 7.977 -10.897 1.00 3.86 N ATOM 0 H LYS A 96 -5.546 11.298 -5.330 1.00 0.16 H new ATOM 0 HA LYS A 96 -7.706 10.500 -7.183 1.00 0.30 H new ATOM 0 HB2 LYS A 96 -5.339 11.132 -7.891 1.00 0.44 H new ATOM 0 HB3 LYS A 96 -4.750 9.714 -7.047 1.00 0.44 H new ATOM 0 HG2 LYS A 96 -5.017 8.915 -9.276 1.00 0.74 H new ATOM 0 HG3 LYS A 96 -6.486 8.364 -8.496 1.00 0.74 H new ATOM 0 HD2 LYS A 96 -7.090 11.006 -9.370 1.00 1.86 H new ATOM 0 HD3 LYS A 96 -6.176 10.304 -10.690 1.00 1.86 H new ATOM 0 HE2 LYS A 96 -8.598 9.004 -9.342 1.00 3.23 H new ATOM 0 HE3 LYS A 96 -8.631 9.822 -10.891 1.00 3.23 H new ATOM 0 HZ1 LYS A 96 -8.376 7.594 -11.444 1.00 3.86 H new ATOM 0 HZ2 LYS A 96 -6.783 8.174 -11.537 1.00 3.86 H new ATOM 0 HZ3 LYS A 96 -7.284 7.282 -10.182 1.00 3.86 H new ATOM 1488 N LEU A 97 -6.333 8.437 -5.017 1.00 0.20 N ATOM 1489 CA LEU A 97 -6.532 7.094 -4.387 1.00 0.23 C ATOM 1490 C LEU A 97 -8.025 6.790 -4.238 1.00 0.20 C ATOM 1491 O LEU A 97 -8.494 5.760 -4.665 1.00 0.22 O ATOM 1492 CB LEU A 97 -5.889 7.076 -2.995 1.00 0.22 C ATOM 1493 CG LEU A 97 -4.469 6.519 -3.094 1.00 0.56 C ATOM 1494 CD1 LEU A 97 -3.655 6.994 -1.884 1.00 0.64 C ATOM 1495 CD2 LEU A 97 -4.520 4.981 -3.096 1.00 0.85 C ATOM 0 H LEU A 97 -5.600 9.012 -4.602 1.00 0.20 H new ATOM 0 HA LEU A 97 -6.069 6.342 -5.026 1.00 0.23 H new ATOM 0 HB2 LEU A 97 -5.867 8.084 -2.580 1.00 0.22 H new ATOM 0 HB3 LEU A 97 -6.484 6.465 -2.316 1.00 0.22 H new ATOM 0 HG LEU A 97 -4.003 6.870 -4.015 1.00 0.56 H new ATOM 0 HD11 LEU A 97 -2.641 6.599 -1.950 1.00 0.64 H new ATOM 0 HD12 LEU A 97 -3.620 8.083 -1.874 1.00 0.64 H new ATOM 0 HD13 LEU A 97 -4.124 6.637 -0.967 1.00 0.64 H new ATOM 0 HD21 LEU A 97 -3.508 4.583 -3.167 1.00 0.85 H new ATOM 0 HD22 LEU A 97 -4.984 4.631 -2.174 1.00 0.85 H new ATOM 0 HD23 LEU A 97 -5.105 4.637 -3.949 1.00 0.85 H new ATOM 1507 N GLU A 98 -8.735 7.701 -3.629 1.00 0.14 N ATOM 1508 CA GLU A 98 -10.199 7.483 -3.432 1.00 0.12 C ATOM 1509 C GLU A 98 -10.836 6.935 -4.707 1.00 0.12 C ATOM 1510 O GLU A 98 -11.228 5.787 -4.768 1.00 0.13 O ATOM 1511 CB GLU A 98 -10.856 8.812 -3.064 1.00 0.13 C ATOM 1512 CG GLU A 98 -12.312 8.559 -2.662 1.00 0.13 C ATOM 1513 CD GLU A 98 -13.233 9.429 -3.519 1.00 1.37 C ATOM 1514 OE1 GLU A 98 -13.421 9.053 -4.664 1.00 2.71 O ATOM 1515 OE2 GLU A 98 -13.696 10.421 -2.980 1.00 1.37 O ATOM 0 H GLU A 98 -8.370 8.580 -3.262 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.346 6.758 -2.631 1.00 0.12 H new ATOM 0 HB2 GLU A 98 -10.316 9.283 -2.243 1.00 0.13 H new ATOM 0 HB3 GLU A 98 -10.814 9.499 -3.909 1.00 0.13 H new ATOM 0 HG2 GLU A 98 -12.560 7.506 -2.795 1.00 0.13 H new ATOM 0 HG3 GLU A 98 -12.455 8.789 -1.606 1.00 0.13 H new ATOM 1522 N ALA A 99 -10.920 7.768 -5.693 1.00 0.12 N ATOM 1523 CA ALA A 99 -11.534 7.324 -6.980 1.00 0.13 C ATOM 1524 C ALA A 99 -10.853 6.046 -7.480 1.00 0.14 C ATOM 1525 O ALA A 99 -11.495 5.168 -8.021 1.00 0.22 O ATOM 1526 CB ALA A 99 -11.370 8.432 -8.019 1.00 0.14 C ATOM 0 H ALA A 99 -10.594 8.734 -5.673 1.00 0.12 H new ATOM 0 HA ALA A 99 -12.592 7.117 -6.821 1.00 0.13 H new ATOM 0 HB1 ALA A 99 -11.816 8.115 -8.962 1.00 0.14 H new ATOM 0 HB2 ALA A 99 -11.867 9.336 -7.668 1.00 0.14 H new ATOM 0 HB3 ALA A 99 -10.310 8.636 -8.169 1.00 0.14 H new ATOM 1532 N THR A 100 -9.565 5.970 -7.287 1.00 0.10 N ATOM 1533 CA THR A 100 -8.827 4.756 -7.745 1.00 0.16 C ATOM 1534 C THR A 100 -9.410 3.505 -7.084 1.00 0.22 C ATOM 1535 O THR A 100 -9.639 2.507 -7.738 1.00 0.30 O ATOM 1536 CB THR A 100 -7.352 4.896 -7.367 1.00 0.16 C ATOM 1537 OG1 THR A 100 -7.019 6.239 -7.698 1.00 0.24 O ATOM 1538 CG2 THR A 100 -6.462 4.029 -8.253 1.00 0.34 C ATOM 0 H THR A 100 -8.995 6.687 -6.837 1.00 0.10 H new ATOM 0 HA THR A 100 -8.925 4.660 -8.826 1.00 0.16 H new ATOM 0 HB THR A 100 -7.207 4.616 -6.324 1.00 0.16 H new ATOM 0 HG1 THR A 100 -7.252 6.828 -6.950 1.00 0.24 H new ATOM 0 HG21 THR A 100 -5.421 4.154 -7.956 1.00 0.34 H new ATOM 0 HG22 THR A 100 -6.748 2.983 -8.143 1.00 0.34 H new ATOM 0 HG23 THR A 100 -6.581 4.330 -9.294 1.00 0.34 H new ATOM 1546 N ILE A 101 -9.634 3.583 -5.800 1.00 0.20 N ATOM 1547 CA ILE A 101 -10.212 2.408 -5.094 1.00 0.27 C ATOM 1548 C ILE A 101 -11.558 2.075 -5.714 1.00 0.35 C ATOM 1549 O ILE A 101 -11.930 0.925 -5.836 1.00 0.35 O ATOM 1550 CB ILE A 101 -10.390 2.744 -3.612 1.00 0.28 C ATOM 1551 CG1 ILE A 101 -9.051 2.567 -2.893 1.00 0.23 C ATOM 1552 CG2 ILE A 101 -11.422 1.798 -2.997 1.00 0.40 C ATOM 1553 CD1 ILE A 101 -8.959 3.581 -1.751 1.00 0.44 C ATOM 0 H ILE A 101 -9.444 4.398 -5.217 1.00 0.20 H new ATOM 0 HA ILE A 101 -9.546 1.550 -5.187 1.00 0.27 H new ATOM 0 HB ILE A 101 -10.732 3.774 -3.508 1.00 0.28 H new ATOM 0 HG12 ILE A 101 -8.964 1.553 -2.503 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -8.227 2.711 -3.592 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -11.550 2.036 -1.941 1.00 0.40 H new ATOM 0 HG22 ILE A 101 -12.375 1.914 -3.513 1.00 0.40 H new ATOM 0 HG23 ILE A 101 -11.078 0.769 -3.098 1.00 0.40 H new ATOM 0 HD11 ILE A 101 -8.007 3.461 -1.234 1.00 0.44 H new ATOM 0 HD12 ILE A 101 -9.028 4.591 -2.155 1.00 0.44 H new ATOM 0 HD13 ILE A 101 -9.777 3.414 -1.050 1.00 0.44 H new ATOM 1565 N ASN A 102 -12.256 3.097 -6.097 1.00 0.40 N ATOM 1566 CA ASN A 102 -13.578 2.883 -6.736 1.00 0.48 C ATOM 1567 C ASN A 102 -13.373 2.158 -8.062 1.00 0.51 C ATOM 1568 O ASN A 102 -14.301 1.632 -8.644 1.00 0.58 O ATOM 1569 CB ASN A 102 -14.232 4.240 -6.990 1.00 0.50 C ATOM 1570 CG ASN A 102 -15.723 4.155 -6.669 1.00 0.30 C ATOM 1571 OD1 ASN A 102 -16.324 3.100 -6.728 1.00 0.58 O ATOM 1572 ND2 ASN A 102 -16.357 5.241 -6.324 1.00 0.63 N ATOM 0 H ASN A 102 -11.971 4.071 -5.997 1.00 0.40 H new ATOM 0 HA ASN A 102 -14.218 2.286 -6.087 1.00 0.48 H new ATOM 0 HB2 ASN A 102 -13.759 5.005 -6.373 1.00 0.50 H new ATOM 0 HB3 ASN A 102 -14.089 4.536 -8.029 1.00 0.50 H new ATOM 0 HD21 ASN A 102 -17.353 5.203 -6.105 1.00 0.63 H new ATOM 0 HD22 ASN A 102 -15.857 6.129 -6.273 1.00 0.63 H new ATOM 1579 N GLU A 103 -12.146 2.151 -8.507 1.00 0.46 N ATOM 1580 CA GLU A 103 -11.829 1.475 -9.793 1.00 0.51 C ATOM 1581 C GLU A 103 -11.833 -0.048 -9.619 1.00 0.56 C ATOM 1582 O GLU A 103 -12.423 -0.761 -10.407 1.00 0.64 O ATOM 1583 CB GLU A 103 -10.442 1.925 -10.253 1.00 0.46 C ATOM 1584 CG GLU A 103 -10.345 1.777 -11.772 1.00 0.54 C ATOM 1585 CD GLU A 103 -8.899 2.016 -12.212 1.00 1.65 C ATOM 1586 OE1 GLU A 103 -8.079 2.161 -11.320 1.00 2.48 O ATOM 1587 OE2 GLU A 103 -8.696 2.040 -13.415 1.00 2.27 O ATOM 0 H GLU A 103 -11.352 2.584 -8.035 1.00 0.46 H new ATOM 0 HA GLU A 103 -12.584 1.742 -10.533 1.00 0.51 H new ATOM 0 HB2 GLU A 103 -10.268 2.962 -9.965 1.00 0.46 H new ATOM 0 HB3 GLU A 103 -9.672 1.326 -9.767 1.00 0.46 H new ATOM 0 HG2 GLU A 103 -10.669 0.781 -12.073 1.00 0.54 H new ATOM 0 HG3 GLU A 103 -11.009 2.490 -12.262 1.00 0.54 H new ATOM 1594 N LEU A 104 -11.176 -0.514 -8.587 1.00 0.51 N ATOM 1595 CA LEU A 104 -11.112 -1.994 -8.362 1.00 0.57 C ATOM 1596 C LEU A 104 -12.108 -2.436 -7.279 1.00 0.58 C ATOM 1597 O LEU A 104 -12.200 -3.607 -6.967 1.00 0.62 O ATOM 1598 CB LEU A 104 -9.695 -2.369 -7.929 1.00 0.52 C ATOM 1599 CG LEU A 104 -8.680 -1.635 -8.813 1.00 0.52 C ATOM 1600 CD1 LEU A 104 -7.275 -2.130 -8.469 1.00 0.56 C ATOM 1601 CD2 LEU A 104 -8.976 -1.935 -10.288 1.00 0.65 C ATOM 0 H LEU A 104 -10.686 0.056 -7.897 1.00 0.51 H new ATOM 0 HA LEU A 104 -11.374 -2.499 -9.292 1.00 0.57 H new ATOM 0 HB2 LEU A 104 -9.541 -2.104 -6.883 1.00 0.52 H new ATOM 0 HB3 LEU A 104 -9.552 -3.447 -8.010 1.00 0.52 H new ATOM 0 HG LEU A 104 -8.749 -0.561 -8.641 1.00 0.52 H new ATOM 0 HD11 LEU A 104 -6.545 -1.614 -9.092 1.00 0.56 H new ATOM 0 HD12 LEU A 104 -7.064 -1.926 -7.419 1.00 0.56 H new ATOM 0 HD13 LEU A 104 -7.213 -3.203 -8.650 1.00 0.56 H new ATOM 0 HD21 LEU A 104 -8.255 -1.413 -10.917 1.00 0.65 H new ATOM 0 HD22 LEU A 104 -8.901 -3.008 -10.463 1.00 0.65 H new ATOM 0 HD23 LEU A 104 -9.983 -1.597 -10.533 1.00 0.65 H new ATOM 1613 N VAL A 105 -12.833 -1.501 -6.727 1.00 0.56 N ATOM 1614 CA VAL A 105 -13.820 -1.880 -5.669 1.00 0.61 C ATOM 1615 C VAL A 105 -14.718 -3.018 -6.168 1.00 0.73 C ATOM 1616 O VAL A 105 -14.977 -3.020 -7.360 1.00 1.58 O ATOM 1617 CB VAL A 105 -14.680 -0.665 -5.325 1.00 0.65 C ATOM 1618 CG1 VAL A 105 -15.602 -0.351 -6.505 1.00 0.79 C ATOM 1619 CG2 VAL A 105 -15.530 -0.975 -4.090 1.00 0.73 C ATOM 1620 OXT VAL A 105 -15.092 -3.821 -5.328 1.00 0.82 O ATOM 0 H VAL A 105 -12.789 -0.508 -6.955 1.00 0.56 H new ATOM 0 HA VAL A 105 -13.283 -2.216 -4.782 1.00 0.61 H new ATOM 0 HB VAL A 105 -14.037 0.191 -5.120 1.00 0.65 H new ATOM 0 HG11 VAL A 105 -16.218 0.515 -6.265 1.00 0.79 H new ATOM 0 HG12 VAL A 105 -15.001 -0.135 -7.389 1.00 0.79 H new ATOM 0 HG13 VAL A 105 -16.244 -1.209 -6.703 1.00 0.79 H new ATOM 0 HG21 VAL A 105 -16.144 -0.109 -3.844 1.00 0.73 H new ATOM 0 HG22 VAL A 105 -16.175 -1.829 -4.297 1.00 0.73 H new ATOM 0 HG23 VAL A 105 -14.878 -1.208 -3.248 1.00 0.73 H new TER 1630 VAL A 105