USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 681 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 52 GLN : amide:sc= -0.483 K(o=-0.87,f=-1.4) USER MOD Set 1.2: A 61 SER OG : rot 88:sc= -0.389 USER MOD Set 2.1: A 34 THR OG1 : rot 3:sc= 1.22 USER MOD Set 2.2: A 37 CYS SG : rot -170:sc= 1.65 USER MOD Set 3.1: A 1 MET CE :methyl 161:sc= 0 (180deg=-0.0339) USER MOD Set 3.2: A 19 HIS : no HD1:sc= 1.28 K(o=1.3,f=-4.9!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -53:sc= 1.16 USER MOD Single : A 8 LYS NZ :NH3+ -130:sc= 1.23 (180deg=0.162) USER MOD Single : A 9 CYS SG : rot 180:sc= 0.14 USER MOD Single : A 11 GLN : amide:sc= 0.87 K(o=0.87,f=-4.5!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -49:sc= 0.471 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -171:sc= -1.15 (180deg=-1.34) USER MOD Single : A 31 MET CE :methyl -120:sc= -0.565 (180deg=-3.27) USER MOD Single : A 40 TYR OH : rot 0:sc= 0.738 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.04) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.088) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.118 6.933 13.201 1.00 3.11 N ATOM 2 CA MET A 1 -1.509 6.654 11.883 1.00 1.03 C ATOM 3 C MET A 1 -1.938 5.285 11.377 1.00 2.14 C ATOM 4 O MET A 1 -1.748 4.274 12.053 1.00 32.13 O ATOM 5 CB MET A 1 0.019 6.703 11.977 1.00 53.42 C ATOM 6 CG MET A 1 0.718 6.291 10.689 1.00 4.42 C ATOM 7 SD MET A 1 2.511 6.202 10.859 1.00 45.11 S ATOM 8 CE MET A 1 2.969 5.610 9.231 1.00 21.33 C ATOM 0 H1 MET A 1 -1.815 7.871 13.532 1.00 3.11 H new ATOM 0 H2 MET A 1 -3.154 6.914 13.116 1.00 3.11 H new ATOM 0 H3 MET A 1 -1.814 6.210 13.884 1.00 3.11 H new ATOM 0 HA MET A 1 -1.851 7.418 11.185 1.00 1.03 H new ATOM 0 HB2 MET A 1 0.327 7.715 12.241 1.00 53.42 H new ATOM 0 HB3 MET A 1 0.347 6.049 12.785 1.00 53.42 H new ATOM 0 HG2 MET A 1 0.340 5.319 10.372 1.00 4.42 H new ATOM 0 HG3 MET A 1 0.468 7.003 9.902 1.00 4.42 H new ATOM 0 HE1 MET A 1 4.024 5.817 9.052 1.00 21.33 H new ATOM 0 HE2 MET A 1 2.795 4.536 9.172 1.00 21.33 H new ATOM 0 HE3 MET A 1 2.367 6.117 8.477 1.00 21.33 H new ATOM 18 N PHE A 2 -2.531 5.260 10.196 1.00 33.44 N ATOM 19 CA PHE A 2 -2.894 4.014 9.547 1.00 12.22 C ATOM 20 C PHE A 2 -1.922 3.743 8.405 1.00 12.33 C ATOM 21 O PHE A 2 -1.877 4.491 7.426 1.00 60.11 O ATOM 22 CB PHE A 2 -4.331 4.089 9.020 1.00 14.40 C ATOM 23 CG PHE A 2 -4.885 2.765 8.567 1.00 54.40 C ATOM 24 CD1 PHE A 2 -4.681 2.313 7.273 1.00 51.34 C ATOM 25 CD2 PHE A 2 -5.610 1.973 9.442 1.00 52.54 C ATOM 26 CE1 PHE A 2 -5.188 1.096 6.861 1.00 44.14 C ATOM 27 CE2 PHE A 2 -6.121 0.755 9.036 1.00 72.43 C ATOM 28 CZ PHE A 2 -5.911 0.317 7.744 1.00 22.52 C ATOM 0 H PHE A 2 -2.773 6.096 9.664 1.00 33.44 H new ATOM 0 HA PHE A 2 -2.838 3.199 10.269 1.00 12.22 H new ATOM 0 HB2 PHE A 2 -4.974 4.492 9.803 1.00 14.40 H new ATOM 0 HB3 PHE A 2 -4.366 4.790 8.186 1.00 14.40 H new ATOM 0 HD1 PHE A 2 -4.119 2.920 6.578 1.00 51.34 H new ATOM 0 HD2 PHE A 2 -5.778 2.311 10.454 1.00 52.54 H new ATOM 0 HE1 PHE A 2 -5.020 0.754 5.851 1.00 44.14 H new ATOM 0 HE2 PHE A 2 -6.684 0.147 9.729 1.00 72.43 H new ATOM 0 HZ PHE A 2 -6.311 -0.634 7.424 1.00 22.52 H new ATOM 38 N SER A 3 -1.132 2.692 8.535 1.00 52.12 N ATOM 39 CA SER A 3 -0.127 2.384 7.536 1.00 52.33 C ATOM 40 C SER A 3 -0.651 1.349 6.549 1.00 15.14 C ATOM 41 O SER A 3 -1.725 0.781 6.742 1.00 20.53 O ATOM 42 CB SER A 3 1.149 1.867 8.206 1.00 41.42 C ATOM 43 OG SER A 3 0.925 0.627 8.855 1.00 41.42 O ATOM 0 H SER A 3 -1.167 2.041 9.319 1.00 52.12 H new ATOM 0 HA SER A 3 0.105 3.299 6.992 1.00 52.33 H new ATOM 0 HB2 SER A 3 1.934 1.752 7.458 1.00 41.42 H new ATOM 0 HB3 SER A 3 1.504 2.600 8.930 1.00 41.42 H new ATOM 0 HG SER A 3 0.161 0.709 9.463 1.00 41.42 H new ATOM 49 N LEU A 4 0.120 1.095 5.502 1.00 10.50 N ATOM 50 CA LEU A 4 -0.242 0.096 4.510 1.00 40.43 C ATOM 51 C LEU A 4 -0.114 -1.306 5.104 1.00 75.21 C ATOM 52 O LEU A 4 -0.650 -2.275 4.572 1.00 64.02 O ATOM 53 CB LEU A 4 0.651 0.240 3.274 1.00 41.11 C ATOM 54 CG LEU A 4 0.251 -0.613 2.067 1.00 74.22 C ATOM 55 CD1 LEU A 4 -1.153 -0.258 1.599 1.00 2.33 C ATOM 56 CD2 LEU A 4 1.253 -0.435 0.936 1.00 31.30 C ATOM 0 H LEU A 4 1.004 1.570 5.318 1.00 10.50 H new ATOM 0 HA LEU A 4 -1.279 0.250 4.211 1.00 40.43 H new ATOM 0 HB2 LEU A 4 0.656 1.287 2.971 1.00 41.11 H new ATOM 0 HB3 LEU A 4 1.673 -0.015 3.554 1.00 41.11 H new ATOM 0 HG LEU A 4 0.254 -1.660 2.370 1.00 74.22 H new ATOM 0 HD11 LEU A 4 -1.417 -0.876 0.741 1.00 2.33 H new ATOM 0 HD12 LEU A 4 -1.862 -0.437 2.407 1.00 2.33 H new ATOM 0 HD13 LEU A 4 -1.186 0.793 1.314 1.00 2.33 H new ATOM 0 HD21 LEU A 4 0.954 -1.048 0.086 1.00 31.30 H new ATOM 0 HD22 LEU A 4 1.281 0.613 0.636 1.00 31.30 H new ATOM 0 HD23 LEU A 4 2.242 -0.742 1.275 1.00 31.30 H new ATOM 68 N ARG A 5 0.591 -1.400 6.226 1.00 63.42 N ATOM 69 CA ARG A 5 0.743 -2.666 6.921 1.00 61.14 C ATOM 70 C ARG A 5 -0.466 -2.919 7.823 1.00 74.12 C ATOM 71 O ARG A 5 -0.686 -4.036 8.296 1.00 64.32 O ATOM 72 CB ARG A 5 2.042 -2.674 7.736 1.00 51.31 C ATOM 73 CG ARG A 5 2.287 -3.979 8.467 1.00 11.04 C ATOM 74 CD ARG A 5 2.282 -5.164 7.511 1.00 51.33 C ATOM 75 NE ARG A 5 2.187 -6.436 8.221 1.00 63.51 N ATOM 76 CZ ARG A 5 1.209 -7.321 8.035 1.00 13.14 C ATOM 77 NH1 ARG A 5 0.254 -7.082 7.143 1.00 24.12 N ATOM 78 NH2 ARG A 5 1.179 -8.440 8.746 1.00 12.30 N ATOM 0 H ARG A 5 1.065 -0.614 6.671 1.00 63.42 H new ATOM 0 HA ARG A 5 0.798 -3.469 6.185 1.00 61.14 H new ATOM 0 HB2 ARG A 5 2.881 -2.477 7.069 1.00 51.31 H new ATOM 0 HB3 ARG A 5 2.012 -1.860 8.461 1.00 51.31 H new ATOM 0 HG2 ARG A 5 3.245 -3.933 8.985 1.00 11.04 H new ATOM 0 HG3 ARG A 5 1.519 -4.121 9.228 1.00 11.04 H new ATOM 0 HD2 ARG A 5 1.444 -5.070 6.821 1.00 51.33 H new ATOM 0 HD3 ARG A 5 3.192 -5.150 6.911 1.00 51.33 H new ATOM 0 HE ARG A 5 2.914 -6.661 8.901 1.00 63.51 H new ATOM 0 HH11 ARG A 5 0.269 -6.219 6.599 1.00 24.12 H new ATOM 0 HH12 ARG A 5 -0.494 -7.761 7.002 1.00 24.12 H new ATOM 0 HH21 ARG A 5 1.906 -8.625 9.437 1.00 12.30 H new ATOM 0 HH22 ARG A 5 0.429 -9.116 8.602 1.00 12.30 H new ATOM 92 N ASP A 6 -1.253 -1.877 8.054 1.00 10.35 N ATOM 93 CA ASP A 6 -2.470 -2.004 8.845 1.00 30.25 C ATOM 94 C ASP A 6 -3.601 -2.542 7.981 1.00 4.32 C ATOM 95 O ASP A 6 -4.566 -3.109 8.488 1.00 73.44 O ATOM 96 CB ASP A 6 -2.875 -0.661 9.466 1.00 62.12 C ATOM 97 CG ASP A 6 -1.961 -0.226 10.595 1.00 41.04 C ATOM 98 OD1 ASP A 6 -2.051 -0.801 11.704 1.00 34.32 O ATOM 99 OD2 ASP A 6 -1.157 0.704 10.392 1.00 20.20 O ATOM 0 H ASP A 6 -1.071 -0.936 7.706 1.00 10.35 H new ATOM 0 HA ASP A 6 -2.272 -2.704 9.657 1.00 30.25 H new ATOM 0 HB2 ASP A 6 -2.875 0.105 8.691 1.00 62.12 H new ATOM 0 HB3 ASP A 6 -3.896 -0.734 9.841 1.00 62.12 H new ATOM 105 N ALA A 7 -3.462 -2.378 6.672 1.00 65.12 N ATOM 106 CA ALA A 7 -4.471 -2.843 5.728 1.00 42.33 C ATOM 107 C ALA A 7 -4.285 -4.325 5.416 1.00 53.33 C ATOM 108 O ALA A 7 -3.171 -4.853 5.497 1.00 4.10 O ATOM 109 CB ALA A 7 -4.414 -2.022 4.449 1.00 20.14 C ATOM 0 H ALA A 7 -2.658 -1.925 6.238 1.00 65.12 H new ATOM 0 HA ALA A 7 -5.451 -2.713 6.186 1.00 42.33 H new ATOM 0 HB1 ALA A 7 -5.173 -2.380 3.753 1.00 20.14 H new ATOM 0 HB2 ALA A 7 -4.600 -0.973 4.681 1.00 20.14 H new ATOM 0 HB3 ALA A 7 -3.428 -2.124 3.995 1.00 20.14 H new ATOM 115 N LYS A 8 -5.379 -4.997 5.081 1.00 43.34 N ATOM 116 CA LYS A 8 -5.338 -6.419 4.760 1.00 74.33 C ATOM 117 C LYS A 8 -5.783 -6.667 3.325 1.00 31.45 C ATOM 118 O LYS A 8 -6.231 -5.753 2.630 1.00 71.42 O ATOM 119 CB LYS A 8 -6.215 -7.228 5.723 1.00 31.22 C ATOM 120 CG LYS A 8 -5.537 -7.572 7.045 1.00 3.11 C ATOM 121 CD LYS A 8 -5.297 -6.342 7.901 1.00 10.32 C ATOM 122 CE LYS A 8 -4.479 -6.675 9.135 1.00 35.51 C ATOM 123 NZ LYS A 8 -4.201 -5.471 9.957 1.00 40.01 N ATOM 0 H LYS A 8 -6.308 -4.580 5.024 1.00 43.34 H new ATOM 0 HA LYS A 8 -4.305 -6.749 4.869 1.00 74.33 H new ATOM 0 HB2 LYS A 8 -7.124 -6.664 5.930 1.00 31.22 H new ATOM 0 HB3 LYS A 8 -6.518 -8.152 5.231 1.00 31.22 H new ATOM 0 HG2 LYS A 8 -6.156 -8.281 7.595 1.00 3.11 H new ATOM 0 HG3 LYS A 8 -4.586 -8.066 6.846 1.00 3.11 H new ATOM 0 HD2 LYS A 8 -4.779 -5.584 7.314 1.00 10.32 H new ATOM 0 HD3 LYS A 8 -6.253 -5.914 8.202 1.00 10.32 H new ATOM 0 HE2 LYS A 8 -5.013 -7.410 9.737 1.00 35.51 H new ATOM 0 HE3 LYS A 8 -3.537 -7.134 8.833 1.00 35.51 H new ATOM 0 HZ1 LYS A 8 -3.185 -5.426 10.174 1.00 40.01 H new ATOM 0 HZ2 LYS A 8 -4.481 -4.619 9.430 1.00 40.01 H new ATOM 0 HZ3 LYS A 8 -4.742 -5.523 10.844 1.00 40.01 H new ATOM 137 N CYS A 9 -5.659 -7.915 2.889 1.00 24.23 N ATOM 138 CA CYS A 9 -6.006 -8.297 1.531 1.00 11.24 C ATOM 139 C CYS A 9 -7.494 -8.107 1.259 1.00 51.12 C ATOM 140 O CYS A 9 -8.340 -8.393 2.108 1.00 72.03 O ATOM 141 CB CYS A 9 -5.587 -9.745 1.287 1.00 64.52 C ATOM 142 SG CYS A 9 -5.916 -10.842 2.685 1.00 61.14 S ATOM 0 H CYS A 9 -5.317 -8.684 3.465 1.00 24.23 H new ATOM 0 HA CYS A 9 -5.470 -7.647 0.840 1.00 11.24 H new ATOM 0 HB2 CYS A 9 -6.111 -10.123 0.409 1.00 64.52 H new ATOM 0 HB3 CYS A 9 -4.522 -9.772 1.058 1.00 64.52 H new ATOM 0 HG CYS A 9 -5.532 -12.048 2.390 1.00 61.14 H new ATOM 148 N GLY A 10 -7.802 -7.595 0.075 1.00 30.01 N ATOM 149 CA GLY A 10 -9.179 -7.352 -0.299 1.00 72.04 C ATOM 150 C GLY A 10 -9.609 -5.927 -0.013 1.00 33.32 C ATOM 151 O GLY A 10 -10.636 -5.464 -0.515 1.00 41.43 O ATOM 0 H GLY A 10 -7.117 -7.342 -0.637 1.00 30.01 H new ATOM 0 HA2 GLY A 10 -9.307 -7.562 -1.361 1.00 72.04 H new ATOM 0 HA3 GLY A 10 -9.827 -8.041 0.243 1.00 72.04 H new ATOM 155 N GLN A 11 -8.820 -5.229 0.794 1.00 10.04 N ATOM 156 CA GLN A 11 -9.125 -3.855 1.159 1.00 12.10 C ATOM 157 C GLN A 11 -8.429 -2.878 0.227 1.00 14.21 C ATOM 158 O GLN A 11 -7.215 -2.948 0.024 1.00 23.41 O ATOM 159 CB GLN A 11 -8.718 -3.588 2.607 1.00 63.11 C ATOM 160 CG GLN A 11 -9.554 -4.354 3.616 1.00 62.32 C ATOM 161 CD GLN A 11 -9.143 -4.084 5.048 1.00 22.13 C ATOM 162 OE1 GLN A 11 -7.972 -3.840 5.338 1.00 44.54 O ATOM 163 NE2 GLN A 11 -10.107 -4.119 5.954 1.00 64.54 N ATOM 0 H GLN A 11 -7.963 -5.595 1.208 1.00 10.04 H new ATOM 0 HA GLN A 11 -10.201 -3.709 1.063 1.00 12.10 H new ATOM 0 HB2 GLN A 11 -7.669 -3.854 2.737 1.00 63.11 H new ATOM 0 HB3 GLN A 11 -8.803 -2.521 2.810 1.00 63.11 H new ATOM 0 HG2 GLN A 11 -10.603 -4.087 3.488 1.00 62.32 H new ATOM 0 HG3 GLN A 11 -9.470 -5.422 3.414 1.00 62.32 H new ATOM 0 HE21 GLN A 11 -11.065 -4.325 5.671 1.00 64.54 H new ATOM 0 HE22 GLN A 11 -9.892 -3.940 6.935 1.00 64.54 H new ATOM 172 N THR A 12 -9.213 -1.984 -0.353 1.00 73.23 N ATOM 173 CA THR A 12 -8.688 -0.957 -1.230 1.00 12.35 C ATOM 174 C THR A 12 -8.399 0.317 -0.443 1.00 15.35 C ATOM 175 O THR A 12 -9.307 0.915 0.148 1.00 0.44 O ATOM 176 CB THR A 12 -9.683 -0.646 -2.362 1.00 44.24 C ATOM 177 OG1 THR A 12 -10.155 -1.869 -2.945 1.00 25.13 O ATOM 178 CG2 THR A 12 -9.031 0.213 -3.438 1.00 11.22 C ATOM 0 H THR A 12 -10.225 -1.952 -0.229 1.00 73.23 H new ATOM 0 HA THR A 12 -7.761 -1.329 -1.666 1.00 12.35 H new ATOM 0 HB THR A 12 -10.522 -0.094 -1.938 1.00 44.24 H new ATOM 0 HG1 THR A 12 -10.789 -1.665 -3.664 1.00 25.13 H new ATOM 0 HG21 THR A 12 -9.754 0.419 -4.227 1.00 11.22 H new ATOM 0 HG22 THR A 12 -8.695 1.153 -2.999 1.00 11.22 H new ATOM 0 HG23 THR A 12 -8.177 -0.317 -3.859 1.00 11.22 H new ATOM 186 N VAL A 13 -7.137 0.718 -0.421 1.00 4.22 N ATOM 187 CA VAL A 13 -6.727 1.929 0.271 1.00 24.12 C ATOM 188 C VAL A 13 -6.114 2.924 -0.709 1.00 32.14 C ATOM 189 O VAL A 13 -5.796 2.578 -1.845 1.00 0.43 O ATOM 190 CB VAL A 13 -5.715 1.631 1.400 1.00 22.31 C ATOM 191 CG1 VAL A 13 -6.338 0.745 2.467 1.00 43.14 C ATOM 192 CG2 VAL A 13 -4.454 0.988 0.843 1.00 62.43 C ATOM 0 H VAL A 13 -6.375 0.218 -0.878 1.00 4.22 H new ATOM 0 HA VAL A 13 -7.622 2.360 0.719 1.00 24.12 H new ATOM 0 HB VAL A 13 -5.440 2.580 1.861 1.00 22.31 H new ATOM 0 HG11 VAL A 13 -5.606 0.550 3.251 1.00 43.14 H new ATOM 0 HG12 VAL A 13 -7.204 1.248 2.897 1.00 43.14 H new ATOM 0 HG13 VAL A 13 -6.651 -0.198 2.019 1.00 43.14 H new ATOM 0 HG21 VAL A 13 -3.757 0.788 1.657 1.00 62.43 H new ATOM 0 HG22 VAL A 13 -4.711 0.052 0.347 1.00 62.43 H new ATOM 0 HG23 VAL A 13 -3.988 1.663 0.125 1.00 62.43 H new ATOM 202 N LYS A 14 -5.973 4.160 -0.275 1.00 22.25 N ATOM 203 CA LYS A 14 -5.355 5.187 -1.083 1.00 61.23 C ATOM 204 C LYS A 14 -4.144 5.760 -0.356 1.00 1.11 C ATOM 205 O LYS A 14 -4.237 6.137 0.812 1.00 65.21 O ATOM 206 CB LYS A 14 -6.381 6.278 -1.379 1.00 70.35 C ATOM 207 CG LYS A 14 -5.871 7.390 -2.272 1.00 13.22 C ATOM 208 CD LYS A 14 -6.987 8.357 -2.623 1.00 55.11 C ATOM 209 CE LYS A 14 -8.049 7.690 -3.487 1.00 41.13 C ATOM 210 NZ LYS A 14 -9.202 8.588 -3.755 1.00 1.30 N ATOM 0 H LYS A 14 -6.282 4.478 0.643 1.00 22.25 H new ATOM 0 HA LYS A 14 -5.013 4.761 -2.026 1.00 61.23 H new ATOM 0 HB2 LYS A 14 -7.253 5.822 -1.848 1.00 70.35 H new ATOM 0 HB3 LYS A 14 -6.716 6.710 -0.436 1.00 70.35 H new ATOM 0 HG2 LYS A 14 -5.065 7.925 -1.769 1.00 13.22 H new ATOM 0 HG3 LYS A 14 -5.451 6.966 -3.184 1.00 13.22 H new ATOM 0 HD2 LYS A 14 -7.444 8.735 -1.708 1.00 55.11 H new ATOM 0 HD3 LYS A 14 -6.573 9.216 -3.151 1.00 55.11 H new ATOM 0 HE2 LYS A 14 -7.604 7.381 -4.433 1.00 41.13 H new ATOM 0 HE3 LYS A 14 -8.403 6.786 -2.991 1.00 41.13 H new ATOM 0 HZ1 LYS A 14 -9.899 8.091 -4.346 1.00 1.30 H new ATOM 0 HZ2 LYS A 14 -9.645 8.863 -2.855 1.00 1.30 H new ATOM 0 HZ3 LYS A 14 -8.871 9.440 -4.252 1.00 1.30 H new ATOM 224 N VAL A 15 -3.011 5.802 -1.045 1.00 22.01 N ATOM 225 CA VAL A 15 -1.770 6.298 -0.461 1.00 24.22 C ATOM 226 C VAL A 15 -1.842 7.805 -0.253 1.00 42.12 C ATOM 227 O VAL A 15 -2.136 8.551 -1.186 1.00 63.13 O ATOM 228 CB VAL A 15 -0.560 5.969 -1.358 1.00 62.44 C ATOM 229 CG1 VAL A 15 0.732 6.457 -0.727 1.00 22.54 C ATOM 230 CG2 VAL A 15 -0.489 4.477 -1.634 1.00 15.15 C ATOM 0 H VAL A 15 -2.925 5.497 -2.014 1.00 22.01 H new ATOM 0 HA VAL A 15 -1.641 5.802 0.501 1.00 24.22 H new ATOM 0 HB VAL A 15 -0.691 6.489 -2.307 1.00 62.44 H new ATOM 0 HG11 VAL A 15 1.570 6.213 -1.379 1.00 22.54 H new ATOM 0 HG12 VAL A 15 0.683 7.537 -0.587 1.00 22.54 H new ATOM 0 HG13 VAL A 15 0.871 5.972 0.239 1.00 22.54 H new ATOM 0 HG21 VAL A 15 0.371 4.265 -2.269 1.00 15.15 H new ATOM 0 HG22 VAL A 15 -0.387 3.937 -0.692 1.00 15.15 H new ATOM 0 HG23 VAL A 15 -1.400 4.157 -2.139 1.00 15.15 H new ATOM 240 N VAL A 16 -1.577 8.249 0.969 1.00 60.23 N ATOM 241 CA VAL A 16 -1.648 9.667 1.288 1.00 22.21 C ATOM 242 C VAL A 16 -0.295 10.228 1.724 1.00 31.15 C ATOM 243 O VAL A 16 0.056 11.346 1.360 1.00 14.32 O ATOM 244 CB VAL A 16 -2.714 9.956 2.369 1.00 41.05 C ATOM 245 CG1 VAL A 16 -4.109 9.926 1.760 1.00 63.23 C ATOM 246 CG2 VAL A 16 -2.618 8.957 3.512 1.00 53.24 C ATOM 0 H VAL A 16 -1.312 7.650 1.751 1.00 60.23 H new ATOM 0 HA VAL A 16 -1.942 10.172 0.368 1.00 22.21 H new ATOM 0 HB VAL A 16 -2.526 10.952 2.770 1.00 41.05 H new ATOM 0 HG11 VAL A 16 -4.848 10.131 2.534 1.00 63.23 H new ATOM 0 HG12 VAL A 16 -4.181 10.683 0.979 1.00 63.23 H new ATOM 0 HG13 VAL A 16 -4.297 8.942 1.330 1.00 63.23 H new ATOM 0 HG21 VAL A 16 -3.379 9.184 4.258 1.00 53.24 H new ATOM 0 HG22 VAL A 16 -2.775 7.949 3.128 1.00 53.24 H new ATOM 0 HG23 VAL A 16 -1.631 9.022 3.970 1.00 53.24 H new ATOM 256 N LYS A 17 0.464 9.460 2.497 1.00 73.32 N ATOM 257 CA LYS A 17 1.783 9.907 2.942 1.00 31.14 C ATOM 258 C LYS A 17 2.830 8.821 2.727 1.00 51.44 C ATOM 259 O LYS A 17 2.568 7.638 2.946 1.00 41.35 O ATOM 260 CB LYS A 17 1.788 10.303 4.427 1.00 20.23 C ATOM 261 CG LYS A 17 1.044 11.590 4.764 1.00 63.41 C ATOM 262 CD LYS A 17 -0.449 11.361 4.914 1.00 5.13 C ATOM 263 CE LYS A 17 -1.145 12.598 5.456 1.00 32.12 C ATOM 264 NZ LYS A 17 -2.612 12.397 5.589 1.00 60.41 N ATOM 0 H LYS A 17 0.194 8.533 2.827 1.00 73.32 H new ATOM 0 HA LYS A 17 2.027 10.784 2.342 1.00 31.14 H new ATOM 0 HB2 LYS A 17 1.350 9.489 5.004 1.00 20.23 H new ATOM 0 HB3 LYS A 17 2.823 10.405 4.755 1.00 20.23 H new ATOM 0 HG2 LYS A 17 1.442 12.007 5.689 1.00 63.41 H new ATOM 0 HG3 LYS A 17 1.221 12.327 3.980 1.00 63.41 H new ATOM 0 HD2 LYS A 17 -0.877 11.094 3.948 1.00 5.13 H new ATOM 0 HD3 LYS A 17 -0.625 10.519 5.584 1.00 5.13 H new ATOM 0 HE2 LYS A 17 -0.724 12.854 6.428 1.00 32.12 H new ATOM 0 HE3 LYS A 17 -0.953 13.442 4.793 1.00 32.12 H new ATOM 0 HZ1 LYS A 17 -3.049 13.264 5.962 1.00 60.41 H new ATOM 0 HZ2 LYS A 17 -3.018 12.178 4.657 1.00 60.41 H new ATOM 0 HZ3 LYS A 17 -2.797 11.608 6.241 1.00 60.41 H new ATOM 278 N LEU A 18 4.013 9.233 2.311 1.00 75.33 N ATOM 279 CA LEU A 18 5.136 8.322 2.159 1.00 63.30 C ATOM 280 C LEU A 18 6.213 8.684 3.180 1.00 43.23 C ATOM 281 O LEU A 18 6.924 9.671 3.003 1.00 73.34 O ATOM 282 CB LEU A 18 5.717 8.408 0.741 1.00 25.12 C ATOM 283 CG LEU A 18 4.749 8.067 -0.400 1.00 42.10 C ATOM 284 CD1 LEU A 18 5.389 8.353 -1.747 1.00 10.43 C ATOM 285 CD2 LEU A 18 4.318 6.613 -0.323 1.00 35.32 C ATOM 0 H LEU A 18 4.224 10.201 2.070 1.00 75.33 H new ATOM 0 HA LEU A 18 4.791 7.302 2.326 1.00 63.30 H new ATOM 0 HB2 LEU A 18 6.093 9.419 0.583 1.00 25.12 H new ATOM 0 HB3 LEU A 18 6.573 7.737 0.678 1.00 25.12 H new ATOM 0 HG LEU A 18 3.865 8.696 -0.293 1.00 42.10 H new ATOM 0 HD11 LEU A 18 4.687 8.105 -2.543 1.00 10.43 H new ATOM 0 HD12 LEU A 18 5.649 9.410 -1.809 1.00 10.43 H new ATOM 0 HD13 LEU A 18 6.290 7.750 -1.857 1.00 10.43 H new ATOM 0 HD21 LEU A 18 3.632 6.393 -1.141 1.00 35.32 H new ATOM 0 HD22 LEU A 18 5.194 5.969 -0.401 1.00 35.32 H new ATOM 0 HD23 LEU A 18 3.818 6.432 0.628 1.00 35.32 H new ATOM 297 N HIS A 19 6.319 7.909 4.256 1.00 53.12 N ATOM 298 CA HIS A 19 7.266 8.230 5.314 1.00 53.12 C ATOM 299 C HIS A 19 8.639 7.651 4.988 1.00 1.33 C ATOM 300 O HIS A 19 9.484 8.322 4.393 1.00 25.44 O ATOM 301 CB HIS A 19 6.768 7.700 6.667 1.00 43.21 C ATOM 302 CG HIS A 19 5.488 8.326 7.140 1.00 41.21 C ATOM 303 ND1 HIS A 19 5.422 9.154 8.237 1.00 64.11 N ATOM 304 CD2 HIS A 19 4.218 8.230 6.671 1.00 51.13 C ATOM 305 CE1 HIS A 19 4.176 9.540 8.424 1.00 60.34 C ATOM 306 NE2 HIS A 19 3.425 8.997 7.490 1.00 53.43 N ATOM 0 H HIS A 19 5.768 7.066 4.416 1.00 53.12 H new ATOM 0 HA HIS A 19 7.352 9.314 5.382 1.00 53.12 H new ATOM 0 HB2 HIS A 19 6.626 6.622 6.592 1.00 43.21 H new ATOM 0 HB3 HIS A 19 7.541 7.868 7.417 1.00 43.21 H new ATOM 0 HD2 HIS A 19 3.892 7.658 5.815 1.00 51.13 H new ATOM 0 HE1 HIS A 19 3.829 10.193 9.212 1.00 60.34 H new ATOM 0 HE2 HIS A 19 2.418 9.125 7.390 1.00 53.43 H new ATOM 315 N GLY A 20 8.846 6.394 5.352 1.00 31.33 N ATOM 316 CA GLY A 20 10.094 5.722 5.049 1.00 21.02 C ATOM 317 C GLY A 20 11.306 6.401 5.655 1.00 43.32 C ATOM 318 O GLY A 20 11.196 7.160 6.621 1.00 31.11 O ATOM 0 H GLY A 20 8.167 5.823 5.855 1.00 31.33 H new ATOM 0 HA2 GLY A 20 10.043 4.695 5.412 1.00 21.02 H new ATOM 0 HA3 GLY A 20 10.218 5.672 3.967 1.00 21.02 H new ATOM 322 N THR A 21 12.466 6.115 5.088 1.00 2.33 N ATOM 323 CA THR A 21 13.706 6.736 5.520 1.00 50.21 C ATOM 324 C THR A 21 14.360 7.467 4.343 1.00 60.55 C ATOM 325 O THR A 21 15.557 7.742 4.337 1.00 34.53 O ATOM 326 CB THR A 21 14.671 5.678 6.117 1.00 43.10 C ATOM 327 OG1 THR A 21 15.808 6.312 6.719 1.00 64.13 O ATOM 328 CG2 THR A 21 15.134 4.694 5.049 1.00 73.44 C ATOM 0 H THR A 21 12.574 5.451 4.321 1.00 2.33 H new ATOM 0 HA THR A 21 13.482 7.462 6.302 1.00 50.21 H new ATOM 0 HB THR A 21 14.125 5.127 6.883 1.00 43.10 H new ATOM 0 HG1 THR A 21 16.184 6.969 6.097 1.00 64.13 H new ATOM 0 HG21 THR A 21 15.809 3.964 5.495 1.00 73.44 H new ATOM 0 HG22 THR A 21 14.270 4.180 4.629 1.00 73.44 H new ATOM 0 HG23 THR A 21 15.655 5.234 4.258 1.00 73.44 H new ATOM 336 N GLY A 22 13.548 7.798 3.344 1.00 55.23 N ATOM 337 CA GLY A 22 14.054 8.494 2.176 1.00 2.35 C ATOM 338 C GLY A 22 14.231 7.573 0.989 1.00 34.45 C ATOM 339 O GLY A 22 13.564 7.734 -0.031 1.00 70.53 O ATOM 0 H GLY A 22 12.548 7.596 3.323 1.00 55.23 H new ATOM 0 HA2 GLY A 22 13.368 9.298 1.910 1.00 2.35 H new ATOM 0 HA3 GLY A 22 15.010 8.958 2.418 1.00 2.35 H new ATOM 343 N ALA A 23 15.121 6.596 1.129 1.00 43.03 N ATOM 344 CA ALA A 23 15.380 5.621 0.070 1.00 55.21 C ATOM 345 C ALA A 23 14.097 4.912 -0.358 1.00 1.13 C ATOM 346 O ALA A 23 13.886 4.637 -1.541 1.00 63.43 O ATOM 347 CB ALA A 23 16.411 4.604 0.534 1.00 11.50 C ATOM 0 H ALA A 23 15.680 6.456 1.971 1.00 43.03 H new ATOM 0 HA ALA A 23 15.771 6.159 -0.794 1.00 55.21 H new ATOM 0 HB1 ALA A 23 16.595 3.883 -0.263 1.00 11.50 H new ATOM 0 HB2 ALA A 23 17.341 5.116 0.783 1.00 11.50 H new ATOM 0 HB3 ALA A 23 16.037 4.083 1.415 1.00 11.50 H new ATOM 353 N LEU A 24 13.237 4.633 0.615 1.00 51.21 N ATOM 354 CA LEU A 24 11.959 3.977 0.351 1.00 54.31 C ATOM 355 C LEU A 24 11.075 4.838 -0.545 1.00 32.55 C ATOM 356 O LEU A 24 10.421 4.324 -1.449 1.00 44.01 O ATOM 357 CB LEU A 24 11.223 3.661 1.661 1.00 34.53 C ATOM 358 CG LEU A 24 11.683 2.399 2.402 1.00 45.20 C ATOM 359 CD1 LEU A 24 11.593 1.186 1.490 1.00 51.03 C ATOM 360 CD2 LEU A 24 13.095 2.563 2.946 1.00 23.40 C ATOM 0 H LEU A 24 13.401 4.851 1.598 1.00 51.21 H new ATOM 0 HA LEU A 24 12.172 3.041 -0.166 1.00 54.31 H new ATOM 0 HB2 LEU A 24 11.334 4.513 2.332 1.00 34.53 H new ATOM 0 HB3 LEU A 24 10.160 3.563 1.443 1.00 34.53 H new ATOM 0 HG LEU A 24 11.017 2.244 3.251 1.00 45.20 H new ATOM 0 HD11 LEU A 24 11.923 0.299 2.031 1.00 51.03 H new ATOM 0 HD12 LEU A 24 10.561 1.050 1.166 1.00 51.03 H new ATOM 0 HD13 LEU A 24 12.230 1.338 0.619 1.00 51.03 H new ATOM 0 HD21 LEU A 24 13.393 1.652 3.466 1.00 23.40 H new ATOM 0 HD22 LEU A 24 13.783 2.752 2.122 1.00 23.40 H new ATOM 0 HD23 LEU A 24 13.122 3.403 3.641 1.00 23.40 H new ATOM 372 N LYS A 25 11.087 6.148 -0.304 1.00 63.32 N ATOM 373 CA LYS A 25 10.263 7.083 -1.070 1.00 0.00 C ATOM 374 C LYS A 25 10.532 6.947 -2.561 1.00 15.45 C ATOM 375 O LYS A 25 9.613 6.751 -3.350 1.00 15.34 O ATOM 376 CB LYS A 25 10.540 8.524 -0.636 1.00 64.21 C ATOM 377 CG LYS A 25 10.084 8.853 0.776 1.00 61.11 C ATOM 378 CD LYS A 25 10.461 10.279 1.149 1.00 3.04 C ATOM 379 CE LYS A 25 9.899 10.677 2.502 1.00 42.40 C ATOM 380 NZ LYS A 25 10.297 12.055 2.889 1.00 74.04 N ATOM 0 H LYS A 25 11.659 6.587 0.417 1.00 63.32 H new ATOM 0 HA LYS A 25 9.218 6.841 -0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.611 8.714 -0.713 1.00 64.21 H new ATOM 0 HB3 LYS A 25 10.045 9.202 -1.332 1.00 64.21 H new ATOM 0 HG2 LYS A 25 9.004 8.726 0.853 1.00 61.11 H new ATOM 0 HG3 LYS A 25 10.538 8.156 1.481 1.00 61.11 H new ATOM 0 HD2 LYS A 25 11.547 10.375 1.164 1.00 3.04 H new ATOM 0 HD3 LYS A 25 10.091 10.964 0.386 1.00 3.04 H new ATOM 0 HE2 LYS A 25 8.811 10.608 2.477 1.00 42.40 H new ATOM 0 HE3 LYS A 25 10.246 9.974 3.259 1.00 42.40 H new ATOM 0 HZ1 LYS A 25 9.892 12.285 3.819 1.00 74.04 H new ATOM 0 HZ2 LYS A 25 11.334 12.116 2.939 1.00 74.04 H new ATOM 0 HZ3 LYS A 25 9.944 12.730 2.181 1.00 74.04 H new ATOM 394 N ARG A 26 11.802 7.036 -2.932 1.00 63.12 N ATOM 395 CA ARG A 26 12.203 6.984 -4.332 1.00 71.51 C ATOM 396 C ARG A 26 11.768 5.678 -4.985 1.00 44.45 C ATOM 397 O ARG A 26 11.112 5.686 -6.024 1.00 33.13 O ATOM 398 CB ARG A 26 13.718 7.137 -4.446 1.00 73.01 C ATOM 399 CG ARG A 26 14.227 7.085 -5.875 1.00 4.50 C ATOM 400 CD ARG A 26 15.742 7.033 -5.924 1.00 1.42 C ATOM 401 NE ARG A 26 16.234 6.978 -7.297 1.00 32.20 N ATOM 402 CZ ARG A 26 17.038 6.025 -7.763 1.00 43.22 C ATOM 403 NH1 ARG A 26 17.410 5.025 -6.975 1.00 11.43 N ATOM 404 NH2 ARG A 26 17.445 6.063 -9.025 1.00 44.13 N ATOM 0 H ARG A 26 12.577 7.145 -2.278 1.00 63.12 H new ATOM 0 HA ARG A 26 11.712 7.806 -4.853 1.00 71.51 H new ATOM 0 HB2 ARG A 26 14.014 8.085 -3.998 1.00 73.01 H new ATOM 0 HB3 ARG A 26 14.199 6.348 -3.869 1.00 73.01 H new ATOM 0 HG2 ARG A 26 13.815 6.210 -6.377 1.00 4.50 H new ATOM 0 HG3 ARG A 26 13.874 7.960 -6.420 1.00 4.50 H new ATOM 0 HD2 ARG A 26 16.153 7.910 -5.425 1.00 1.42 H new ATOM 0 HD3 ARG A 26 16.095 6.160 -5.375 1.00 1.42 H new ATOM 0 HE ARG A 26 15.944 7.715 -7.939 1.00 32.20 H new ATOM 0 HH11 ARG A 26 17.080 4.986 -6.011 1.00 11.43 H new ATOM 0 HH12 ARG A 26 18.026 4.295 -7.333 1.00 11.43 H new ATOM 0 HH21 ARG A 26 17.142 6.821 -9.636 1.00 44.13 H new ATOM 0 HH22 ARG A 26 18.061 5.334 -9.384 1.00 44.13 H new ATOM 418 N ARG A 27 12.123 4.563 -4.361 1.00 22.03 N ATOM 419 CA ARG A 27 11.839 3.247 -4.922 1.00 52.23 C ATOM 420 C ARG A 27 10.345 3.040 -5.132 1.00 51.40 C ATOM 421 O ARG A 27 9.916 2.625 -6.206 1.00 62.21 O ATOM 422 CB ARG A 27 12.394 2.157 -4.010 1.00 73.24 C ATOM 423 CG ARG A 27 13.908 2.181 -3.909 1.00 43.12 C ATOM 424 CD ARG A 27 14.420 1.206 -2.863 1.00 15.12 C ATOM 425 NE ARG A 27 14.124 -0.188 -3.199 1.00 20.13 N ATOM 426 CZ ARG A 27 14.825 -1.225 -2.734 1.00 32.22 C ATOM 427 NH1 ARG A 27 15.897 -1.020 -1.975 1.00 4.40 N ATOM 428 NH2 ARG A 27 14.468 -2.464 -3.055 1.00 25.13 N ATOM 0 H ARG A 27 12.609 4.543 -3.464 1.00 22.03 H new ATOM 0 HA ARG A 27 12.326 3.187 -5.895 1.00 52.23 H new ATOM 0 HB2 ARG A 27 11.967 2.273 -3.014 1.00 73.24 H new ATOM 0 HB3 ARG A 27 12.076 1.183 -4.382 1.00 73.24 H new ATOM 0 HG2 ARG A 27 14.341 1.934 -4.878 1.00 43.12 H new ATOM 0 HG3 ARG A 27 14.240 3.189 -3.659 1.00 43.12 H new ATOM 0 HD2 ARG A 27 15.498 1.329 -2.754 1.00 15.12 H new ATOM 0 HD3 ARG A 27 13.973 1.446 -1.898 1.00 15.12 H new ATOM 0 HE ARG A 27 13.339 -0.377 -3.822 1.00 20.13 H new ATOM 0 HH11 ARG A 27 16.186 -0.069 -1.747 1.00 4.40 H new ATOM 0 HH12 ARG A 27 16.431 -1.814 -1.621 1.00 4.40 H new ATOM 0 HH21 ARG A 27 13.659 -2.622 -3.656 1.00 25.13 H new ATOM 0 HH22 ARG A 27 15.003 -3.257 -2.700 1.00 25.13 H new ATOM 442 N ILE A 28 9.556 3.342 -4.108 1.00 42.54 N ATOM 443 CA ILE A 28 8.110 3.175 -4.187 1.00 2.33 C ATOM 444 C ILE A 28 7.518 4.099 -5.251 1.00 51.12 C ATOM 445 O ILE A 28 6.556 3.743 -5.939 1.00 2.52 O ATOM 446 CB ILE A 28 7.446 3.420 -2.810 1.00 72.20 C ATOM 447 CG1 ILE A 28 8.039 2.444 -1.787 1.00 3.44 C ATOM 448 CG2 ILE A 28 5.934 3.248 -2.902 1.00 45.10 C ATOM 449 CD1 ILE A 28 7.579 2.673 -0.366 1.00 34.32 C ATOM 0 H ILE A 28 9.892 3.703 -3.215 1.00 42.54 H new ATOM 0 HA ILE A 28 7.904 2.145 -4.478 1.00 2.33 H new ATOM 0 HB ILE A 28 7.645 4.443 -2.491 1.00 72.20 H new ATOM 0 HG12 ILE A 28 7.779 1.427 -2.081 1.00 3.44 H new ATOM 0 HG13 ILE A 28 9.126 2.518 -1.820 1.00 3.44 H new ATOM 0 HG21 ILE A 28 5.488 3.425 -1.923 1.00 45.10 H new ATOM 0 HG22 ILE A 28 5.530 3.962 -3.620 1.00 45.10 H new ATOM 0 HG23 ILE A 28 5.702 2.234 -3.229 1.00 45.10 H new ATOM 0 HD11 ILE A 28 8.047 1.939 0.291 1.00 34.32 H new ATOM 0 HD12 ILE A 28 7.863 3.677 -0.049 1.00 34.32 H new ATOM 0 HD13 ILE A 28 6.495 2.569 -0.313 1.00 34.32 H new ATOM 461 N MET A 29 8.127 5.267 -5.418 1.00 20.22 N ATOM 462 CA MET A 29 7.693 6.210 -6.445 1.00 2.22 C ATOM 463 C MET A 29 8.029 5.687 -7.835 1.00 63.30 C ATOM 464 O MET A 29 7.224 5.803 -8.760 1.00 31.11 O ATOM 465 CB MET A 29 8.320 7.593 -6.248 1.00 12.21 C ATOM 466 CG MET A 29 7.680 8.403 -5.131 1.00 5.41 C ATOM 467 SD MET A 29 8.271 10.108 -5.074 1.00 52.04 S ATOM 468 CE MET A 29 10.019 9.857 -4.772 1.00 61.52 C ATOM 0 H MET A 29 8.919 5.584 -4.859 1.00 20.22 H new ATOM 0 HA MET A 29 6.612 6.310 -6.351 1.00 2.22 H new ATOM 0 HB2 MET A 29 9.382 7.473 -6.035 1.00 12.21 H new ATOM 0 HB3 MET A 29 8.243 8.153 -7.180 1.00 12.21 H new ATOM 0 HG2 MET A 29 6.598 8.403 -5.263 1.00 5.41 H new ATOM 0 HG3 MET A 29 7.885 7.920 -4.175 1.00 5.41 H new ATOM 0 HE1 MET A 29 10.492 10.815 -4.553 1.00 61.52 H new ATOM 0 HE2 MET A 29 10.149 9.186 -3.923 1.00 61.52 H new ATOM 0 HE3 MET A 29 10.482 9.418 -5.656 1.00 61.52 H new ATOM 478 N ASP A 30 9.212 5.100 -7.968 1.00 22.11 N ATOM 479 CA ASP A 30 9.655 4.522 -9.235 1.00 11.10 C ATOM 480 C ASP A 30 8.729 3.396 -9.684 1.00 73.51 C ATOM 481 O ASP A 30 8.545 3.172 -10.880 1.00 54.23 O ATOM 482 CB ASP A 30 11.091 3.999 -9.122 1.00 41.24 C ATOM 483 CG ASP A 30 12.129 5.083 -9.339 1.00 32.52 C ATOM 484 OD1 ASP A 30 11.998 5.850 -10.317 1.00 55.54 O ATOM 485 OD2 ASP A 30 13.091 5.162 -8.545 1.00 12.02 O ATOM 0 H ASP A 30 9.888 5.010 -7.209 1.00 22.11 H new ATOM 0 HA ASP A 30 9.624 5.314 -9.983 1.00 11.10 H new ATOM 0 HB2 ASP A 30 11.235 3.556 -8.137 1.00 41.24 H new ATOM 0 HB3 ASP A 30 11.243 3.205 -9.854 1.00 41.24 H new ATOM 491 N MET A 31 8.142 2.698 -8.719 1.00 10.42 N ATOM 492 CA MET A 31 7.217 1.600 -9.010 1.00 33.22 C ATOM 493 C MET A 31 5.944 2.121 -9.670 1.00 40.03 C ATOM 494 O MET A 31 5.249 1.384 -10.370 1.00 4.35 O ATOM 495 CB MET A 31 6.849 0.850 -7.729 1.00 52.43 C ATOM 496 CG MET A 31 8.049 0.380 -6.929 1.00 60.15 C ATOM 497 SD MET A 31 7.588 -0.328 -5.337 1.00 25.33 S ATOM 498 CE MET A 31 9.156 -0.217 -4.481 1.00 24.51 C ATOM 0 H MET A 31 8.288 2.871 -7.724 1.00 10.42 H new ATOM 0 HA MET A 31 7.721 0.918 -9.695 1.00 33.22 H new ATOM 0 HB2 MET A 31 6.238 1.499 -7.102 1.00 52.43 H new ATOM 0 HB3 MET A 31 6.236 -0.013 -7.988 1.00 52.43 H new ATOM 0 HG2 MET A 31 8.598 -0.363 -7.507 1.00 60.15 H new ATOM 0 HG3 MET A 31 8.724 1.220 -6.767 1.00 60.15 H new ATOM 0 HE1 MET A 31 9.481 -1.215 -4.186 1.00 24.51 H new ATOM 0 HE2 MET A 31 9.901 0.227 -5.142 1.00 24.51 H new ATOM 0 HE3 MET A 31 9.042 0.405 -3.593 1.00 24.51 H new ATOM 508 N GLY A 32 5.654 3.398 -9.456 1.00 70.23 N ATOM 509 CA GLY A 32 4.433 3.985 -9.966 1.00 31.42 C ATOM 510 C GLY A 32 3.482 4.341 -8.846 1.00 11.13 C ATOM 511 O GLY A 32 2.353 4.768 -9.082 1.00 61.33 O ATOM 0 H GLY A 32 6.249 4.041 -8.934 1.00 70.23 H new ATOM 0 HA2 GLY A 32 4.670 4.880 -10.542 1.00 31.42 H new ATOM 0 HA3 GLY A 32 3.949 3.286 -10.648 1.00 31.42 H new ATOM 515 N ILE A 33 3.947 4.165 -7.618 1.00 41.55 N ATOM 516 CA ILE A 33 3.130 4.430 -6.446 1.00 13.21 C ATOM 517 C ILE A 33 3.442 5.808 -5.877 1.00 13.35 C ATOM 518 O ILE A 33 4.531 6.047 -5.359 1.00 23.10 O ATOM 519 CB ILE A 33 3.349 3.368 -5.345 1.00 61.34 C ATOM 520 CG1 ILE A 33 3.105 1.956 -5.898 1.00 65.42 C ATOM 521 CG2 ILE A 33 2.441 3.643 -4.150 1.00 24.32 C ATOM 522 CD1 ILE A 33 1.721 1.758 -6.475 1.00 41.21 C ATOM 0 H ILE A 33 4.890 3.838 -7.408 1.00 41.55 H new ATOM 0 HA ILE A 33 2.089 4.390 -6.766 1.00 13.21 H new ATOM 0 HB ILE A 33 4.385 3.428 -5.010 1.00 61.34 H new ATOM 0 HG12 ILE A 33 3.844 1.746 -6.671 1.00 65.42 H new ATOM 0 HG13 ILE A 33 3.263 1.231 -5.100 1.00 65.42 H new ATOM 0 HG21 ILE A 33 2.608 2.886 -3.384 1.00 24.32 H new ATOM 0 HG22 ILE A 33 2.666 4.628 -3.741 1.00 24.32 H new ATOM 0 HG23 ILE A 33 1.399 3.612 -4.470 1.00 24.32 H new ATOM 0 HD11 ILE A 33 1.624 0.737 -6.845 1.00 41.21 H new ATOM 0 HD12 ILE A 33 0.975 1.935 -5.700 1.00 41.21 H new ATOM 0 HD13 ILE A 33 1.565 2.458 -7.296 1.00 41.21 H new ATOM 534 N THR A 34 2.490 6.718 -5.987 1.00 14.30 N ATOM 535 CA THR A 34 2.656 8.053 -5.442 1.00 55.20 C ATOM 536 C THR A 34 1.482 8.405 -4.539 1.00 3.31 C ATOM 537 O THR A 34 0.512 7.648 -4.443 1.00 34.51 O ATOM 538 CB THR A 34 2.786 9.107 -6.562 1.00 50.12 C ATOM 539 OG1 THR A 34 1.703 8.974 -7.491 1.00 13.14 O ATOM 540 CG2 THR A 34 4.110 8.958 -7.298 1.00 12.04 C ATOM 0 H THR A 34 1.595 6.557 -6.448 1.00 14.30 H new ATOM 0 HA THR A 34 3.577 8.059 -4.858 1.00 55.20 H new ATOM 0 HB THR A 34 2.752 10.095 -6.103 1.00 50.12 H new ATOM 0 HG1 THR A 34 1.097 8.267 -7.187 1.00 13.14 H new ATOM 0 HG21 THR A 34 4.177 9.712 -8.082 1.00 12.04 H new ATOM 0 HG22 THR A 34 4.933 9.090 -6.596 1.00 12.04 H new ATOM 0 HG23 THR A 34 4.169 7.965 -7.744 1.00 12.04 H new ATOM 548 N ARG A 35 1.574 9.549 -3.880 1.00 72.12 N ATOM 549 CA ARG A 35 0.504 10.017 -3.019 1.00 21.55 C ATOM 550 C ARG A 35 -0.707 10.386 -3.865 1.00 53.42 C ATOM 551 O ARG A 35 -0.621 11.249 -4.739 1.00 70.22 O ATOM 552 CB ARG A 35 0.984 11.215 -2.204 1.00 4.11 C ATOM 553 CG ARG A 35 2.092 10.873 -1.222 1.00 23.51 C ATOM 554 CD ARG A 35 2.891 12.108 -0.823 1.00 33.44 C ATOM 555 NE ARG A 35 2.029 13.239 -0.490 1.00 54.25 N ATOM 556 CZ ARG A 35 2.122 13.955 0.626 1.00 43.02 C ATOM 557 NH1 ARG A 35 3.017 13.650 1.559 1.00 64.44 N ATOM 558 NH2 ARG A 35 1.309 14.982 0.806 1.00 35.42 N ATOM 0 H ARG A 35 2.381 10.171 -3.926 1.00 72.12 H new ATOM 0 HA ARG A 35 0.216 9.225 -2.328 1.00 21.55 H new ATOM 0 HB2 ARG A 35 1.338 11.989 -2.885 1.00 4.11 H new ATOM 0 HB3 ARG A 35 0.140 11.634 -1.656 1.00 4.11 H new ATOM 0 HG2 ARG A 35 1.661 10.415 -0.332 1.00 23.51 H new ATOM 0 HG3 ARG A 35 2.760 10.136 -1.668 1.00 23.51 H new ATOM 0 HD2 ARG A 35 3.522 11.870 0.033 1.00 33.44 H new ATOM 0 HD3 ARG A 35 3.556 12.388 -1.640 1.00 33.44 H new ATOM 0 HE ARG A 35 1.305 13.497 -1.161 1.00 54.25 H new ATOM 0 HH11 ARG A 35 3.644 12.857 1.424 1.00 64.44 H new ATOM 0 HH12 ARG A 35 3.077 14.209 2.410 1.00 64.44 H new ATOM 0 HH21 ARG A 35 0.619 15.218 0.092 1.00 35.42 H new ATOM 0 HH22 ARG A 35 1.371 15.538 1.659 1.00 35.42 H new ATOM 572 N GLY A 36 -1.823 9.721 -3.611 1.00 43.12 N ATOM 573 CA GLY A 36 -3.008 9.923 -4.419 1.00 11.14 C ATOM 574 C GLY A 36 -3.310 8.729 -5.305 1.00 31.33 C ATOM 575 O GLY A 36 -4.209 8.786 -6.142 1.00 74.52 O ATOM 0 H GLY A 36 -1.930 9.042 -2.857 1.00 43.12 H new ATOM 0 HA2 GLY A 36 -3.861 10.115 -3.768 1.00 11.14 H new ATOM 0 HA3 GLY A 36 -2.875 10.809 -5.040 1.00 11.14 H new ATOM 579 N CYS A 37 -2.555 7.652 -5.130 1.00 60.35 N ATOM 580 CA CYS A 37 -2.784 6.426 -5.888 1.00 4.42 C ATOM 581 C CYS A 37 -3.518 5.393 -5.036 1.00 30.54 C ATOM 582 O CYS A 37 -3.300 5.309 -3.824 1.00 32.42 O ATOM 583 CB CYS A 37 -1.459 5.843 -6.385 1.00 23.51 C ATOM 584 SG CYS A 37 -0.586 6.885 -7.576 1.00 51.21 S ATOM 0 H CYS A 37 -1.779 7.601 -4.470 1.00 60.35 H new ATOM 0 HA CYS A 37 -3.404 6.675 -6.749 1.00 4.42 H new ATOM 0 HB2 CYS A 37 -0.809 5.668 -5.528 1.00 23.51 H new ATOM 0 HB3 CYS A 37 -1.652 4.872 -6.842 1.00 23.51 H new ATOM 0 HG CYS A 37 0.406 6.220 -8.090 1.00 51.21 H new ATOM 590 N GLU A 38 -4.394 4.625 -5.669 1.00 54.23 N ATOM 591 CA GLU A 38 -5.131 3.576 -4.978 1.00 31.44 C ATOM 592 C GLU A 38 -4.356 2.266 -5.020 1.00 34.24 C ATOM 593 O GLU A 38 -3.716 1.942 -6.024 1.00 2.33 O ATOM 594 CB GLU A 38 -6.518 3.362 -5.598 1.00 42.25 C ATOM 595 CG GLU A 38 -7.330 4.634 -5.776 1.00 64.10 C ATOM 596 CD GLU A 38 -7.057 5.313 -7.103 1.00 51.54 C ATOM 597 OE1 GLU A 38 -6.207 6.221 -7.152 1.00 34.14 O ATOM 598 OE2 GLU A 38 -7.697 4.935 -8.106 1.00 32.31 O ATOM 0 H GLU A 38 -4.612 4.709 -6.662 1.00 54.23 H new ATOM 0 HA GLU A 38 -5.258 3.895 -3.943 1.00 31.44 H new ATOM 0 HB2 GLU A 38 -6.398 2.883 -6.570 1.00 42.25 H new ATOM 0 HB3 GLU A 38 -7.081 2.671 -4.970 1.00 42.25 H new ATOM 0 HG2 GLU A 38 -8.392 4.397 -5.704 1.00 64.10 H new ATOM 0 HG3 GLU A 38 -7.101 5.324 -4.964 1.00 64.10 H new ATOM 606 N ILE A 39 -4.419 1.525 -3.925 1.00 21.21 N ATOM 607 CA ILE A 39 -3.765 0.232 -3.809 1.00 33.24 C ATOM 608 C ILE A 39 -4.653 -0.713 -3.013 1.00 32.13 C ATOM 609 O ILE A 39 -5.133 -0.353 -1.943 1.00 13.52 O ATOM 610 CB ILE A 39 -2.401 0.340 -3.084 1.00 20.15 C ATOM 611 CG1 ILE A 39 -1.417 1.197 -3.884 1.00 12.40 C ATOM 612 CG2 ILE A 39 -1.817 -1.044 -2.829 1.00 24.01 C ATOM 613 CD1 ILE A 39 -0.050 1.302 -3.242 1.00 1.02 C ATOM 0 H ILE A 39 -4.928 1.806 -3.087 1.00 21.21 H new ATOM 0 HA ILE A 39 -3.596 -0.143 -4.819 1.00 33.24 H new ATOM 0 HB ILE A 39 -2.570 0.828 -2.124 1.00 20.15 H new ATOM 0 HG12 ILE A 39 -1.309 0.776 -4.883 1.00 12.40 H new ATOM 0 HG13 ILE A 39 -1.832 2.198 -4.003 1.00 12.40 H new ATOM 0 HG21 ILE A 39 -0.859 -0.946 -2.319 1.00 24.01 H new ATOM 0 HG22 ILE A 39 -2.502 -1.619 -2.207 1.00 24.01 H new ATOM 0 HG23 ILE A 39 -1.671 -1.558 -3.779 1.00 24.01 H new ATOM 0 HD11 ILE A 39 0.596 1.923 -3.862 1.00 1.02 H new ATOM 0 HD12 ILE A 39 -0.146 1.751 -2.254 1.00 1.02 H new ATOM 0 HD13 ILE A 39 0.385 0.307 -3.148 1.00 1.02 H new ATOM 625 N TYR A 40 -4.892 -1.903 -3.525 1.00 32.12 N ATOM 626 CA TYR A 40 -5.590 -2.907 -2.743 1.00 75.54 C ATOM 627 C TYR A 40 -4.659 -4.083 -2.505 1.00 73.41 C ATOM 628 O TYR A 40 -3.941 -4.514 -3.415 1.00 61.10 O ATOM 629 CB TYR A 40 -6.905 -3.351 -3.414 1.00 13.24 C ATOM 630 CG TYR A 40 -6.773 -4.460 -4.439 1.00 13.20 C ATOM 631 CD1 TYR A 40 -6.415 -4.186 -5.752 1.00 4.32 C ATOM 632 CD2 TYR A 40 -7.019 -5.784 -4.088 1.00 54.34 C ATOM 633 CE1 TYR A 40 -6.307 -5.200 -6.686 1.00 23.15 C ATOM 634 CE2 TYR A 40 -6.912 -6.801 -5.015 1.00 44.04 C ATOM 635 CZ TYR A 40 -6.555 -6.505 -6.310 1.00 31.30 C ATOM 636 OH TYR A 40 -6.446 -7.520 -7.238 1.00 31.12 O ATOM 0 H TYR A 40 -4.619 -2.197 -4.463 1.00 32.12 H new ATOM 0 HA TYR A 40 -5.873 -2.472 -1.784 1.00 75.54 H new ATOM 0 HB2 TYR A 40 -7.596 -3.678 -2.637 1.00 13.24 H new ATOM 0 HB3 TYR A 40 -7.356 -2.485 -3.898 1.00 13.24 H new ATOM 0 HD1 TYR A 40 -6.218 -3.166 -6.048 1.00 4.32 H new ATOM 0 HD2 TYR A 40 -7.299 -6.020 -3.072 1.00 54.34 H new ATOM 0 HE1 TYR A 40 -6.030 -4.972 -7.705 1.00 23.15 H new ATOM 0 HE2 TYR A 40 -7.107 -7.823 -4.725 1.00 44.04 H new ATOM 0 HH TYR A 40 -6.186 -7.144 -8.105 1.00 31.12 H new ATOM 646 N ILE A 41 -4.639 -4.571 -1.277 1.00 63.32 N ATOM 647 CA ILE A 41 -3.763 -5.668 -0.919 1.00 63.31 C ATOM 648 C ILE A 41 -4.252 -6.951 -1.579 1.00 74.41 C ATOM 649 O ILE A 41 -5.376 -7.394 -1.342 1.00 70.44 O ATOM 650 CB ILE A 41 -3.677 -5.868 0.609 1.00 52.51 C ATOM 651 CG1 ILE A 41 -3.413 -4.534 1.320 1.00 42.33 C ATOM 652 CG2 ILE A 41 -2.585 -6.872 0.953 1.00 61.25 C ATOM 653 CD1 ILE A 41 -2.103 -3.875 0.936 1.00 51.34 C ATOM 0 H ILE A 41 -5.219 -4.224 -0.513 1.00 63.32 H new ATOM 0 HA ILE A 41 -2.763 -5.421 -1.275 1.00 63.31 H new ATOM 0 HB ILE A 41 -4.634 -6.258 0.954 1.00 52.51 H new ATOM 0 HG12 ILE A 41 -4.231 -3.848 1.098 1.00 42.33 H new ATOM 0 HG13 ILE A 41 -3.421 -4.701 2.397 1.00 42.33 H new ATOM 0 HG21 ILE A 41 -2.537 -7.002 2.034 1.00 61.25 H new ATOM 0 HG22 ILE A 41 -2.809 -7.829 0.482 1.00 61.25 H new ATOM 0 HG23 ILE A 41 -1.625 -6.505 0.589 1.00 61.25 H new ATOM 0 HD11 ILE A 41 -1.993 -2.938 1.482 1.00 51.34 H new ATOM 0 HD12 ILE A 41 -1.275 -4.539 1.184 1.00 51.34 H new ATOM 0 HD13 ILE A 41 -2.098 -3.673 -0.135 1.00 51.34 H new ATOM 665 N ARG A 42 -3.410 -7.525 -2.422 1.00 41.03 N ATOM 666 CA ARG A 42 -3.750 -8.741 -3.146 1.00 33.01 C ATOM 667 C ARG A 42 -3.723 -9.931 -2.196 1.00 3.01 C ATOM 668 O ARG A 42 -4.732 -10.610 -2.012 1.00 12.13 O ATOM 669 CB ARG A 42 -2.754 -8.952 -4.290 1.00 32.40 C ATOM 670 CG ARG A 42 -3.025 -10.171 -5.156 1.00 44.14 C ATOM 671 CD ARG A 42 -4.236 -9.975 -6.055 1.00 54.34 C ATOM 672 NE ARG A 42 -4.342 -11.034 -7.060 1.00 73.21 N ATOM 673 CZ ARG A 42 -4.892 -10.866 -8.264 1.00 11.24 C ATOM 674 NH1 ARG A 42 -5.415 -9.693 -8.601 1.00 24.10 N ATOM 675 NH2 ARG A 42 -4.931 -11.876 -9.126 1.00 44.42 N ATOM 0 H ARG A 42 -2.477 -7.165 -2.624 1.00 41.03 H new ATOM 0 HA ARG A 42 -4.753 -8.648 -3.562 1.00 33.01 H new ATOM 0 HB2 ARG A 42 -2.758 -8.065 -4.924 1.00 32.40 H new ATOM 0 HB3 ARG A 42 -1.752 -9.038 -3.869 1.00 32.40 H new ATOM 0 HG2 ARG A 42 -2.149 -10.382 -5.769 1.00 44.14 H new ATOM 0 HG3 ARG A 42 -3.184 -11.040 -4.518 1.00 44.14 H new ATOM 0 HD2 ARG A 42 -5.141 -9.958 -5.448 1.00 54.34 H new ATOM 0 HD3 ARG A 42 -4.167 -9.007 -6.552 1.00 54.34 H new ATOM 0 HE ARG A 42 -3.973 -11.956 -6.826 1.00 73.21 H new ATOM 0 HH11 ARG A 42 -5.397 -8.917 -7.939 1.00 24.10 H new ATOM 0 HH12 ARG A 42 -5.835 -9.567 -9.522 1.00 24.10 H new ATOM 0 HH21 ARG A 42 -4.540 -12.782 -8.868 1.00 44.42 H new ATOM 0 HH22 ARG A 42 -5.352 -11.745 -10.046 1.00 44.42 H new ATOM 689 N LYS A 43 -2.571 -10.149 -1.568 1.00 54.15 N ATOM 690 CA LYS A 43 -2.383 -11.259 -0.638 1.00 32.14 C ATOM 691 C LYS A 43 -1.270 -10.926 0.339 1.00 53.04 C ATOM 692 O LYS A 43 -0.311 -10.246 -0.016 1.00 3.22 O ATOM 693 CB LYS A 43 -2.032 -12.561 -1.376 1.00 71.31 C ATOM 694 CG LYS A 43 -3.166 -13.125 -2.213 1.00 13.23 C ATOM 695 CD LYS A 43 -2.790 -14.438 -2.874 1.00 41.10 C ATOM 696 CE LYS A 43 -3.923 -14.947 -3.750 1.00 13.32 C ATOM 697 NZ LYS A 43 -3.608 -16.256 -4.380 1.00 23.42 N ATOM 0 H LYS A 43 -1.744 -9.564 -1.688 1.00 54.15 H new ATOM 0 HA LYS A 43 -3.322 -11.408 -0.104 1.00 32.14 H new ATOM 0 HB2 LYS A 43 -1.173 -12.379 -2.022 1.00 71.31 H new ATOM 0 HB3 LYS A 43 -1.728 -13.310 -0.645 1.00 71.31 H new ATOM 0 HG2 LYS A 43 -4.042 -13.275 -1.582 1.00 13.23 H new ATOM 0 HG3 LYS A 43 -3.445 -12.401 -2.979 1.00 13.23 H new ATOM 0 HD2 LYS A 43 -1.892 -14.303 -3.476 1.00 41.10 H new ATOM 0 HD3 LYS A 43 -2.553 -15.180 -2.111 1.00 41.10 H new ATOM 0 HE2 LYS A 43 -4.827 -15.044 -3.149 1.00 13.32 H new ATOM 0 HE3 LYS A 43 -4.134 -14.214 -4.528 1.00 13.32 H new ATOM 0 HZ1 LYS A 43 -4.411 -16.561 -4.967 1.00 23.42 H new ATOM 0 HZ2 LYS A 43 -2.761 -16.160 -4.975 1.00 23.42 H new ATOM 0 HZ3 LYS A 43 -3.432 -16.964 -3.639 1.00 23.42 H new ATOM 711 N VAL A 44 -1.406 -11.390 1.565 1.00 50.52 N ATOM 712 CA VAL A 44 -0.372 -11.206 2.565 1.00 41.30 C ATOM 713 C VAL A 44 0.279 -12.546 2.872 1.00 75.23 C ATOM 714 O VAL A 44 -0.414 -13.522 3.176 1.00 33.44 O ATOM 715 CB VAL A 44 -0.936 -10.598 3.868 1.00 52.43 C ATOM 716 CG1 VAL A 44 0.170 -10.367 4.885 1.00 0.10 C ATOM 717 CG2 VAL A 44 -1.682 -9.302 3.584 1.00 33.35 C ATOM 0 H VAL A 44 -2.226 -11.900 1.894 1.00 50.52 H new ATOM 0 HA VAL A 44 0.364 -10.511 2.162 1.00 41.30 H new ATOM 0 HB VAL A 44 -1.642 -11.312 4.291 1.00 52.43 H new ATOM 0 HG11 VAL A 44 -0.254 -9.938 5.793 1.00 0.10 H new ATOM 0 HG12 VAL A 44 0.650 -11.316 5.122 1.00 0.10 H new ATOM 0 HG13 VAL A 44 0.908 -9.680 4.470 1.00 0.10 H new ATOM 0 HG21 VAL A 44 -2.070 -8.893 4.517 1.00 33.35 H new ATOM 0 HG22 VAL A 44 -1.002 -8.583 3.128 1.00 33.35 H new ATOM 0 HG23 VAL A 44 -2.510 -9.500 2.903 1.00 33.35 H new ATOM 727 N ALA A 45 1.603 -12.597 2.772 1.00 22.10 N ATOM 728 CA ALA A 45 2.335 -13.817 3.067 1.00 10.50 C ATOM 729 C ALA A 45 2.022 -14.287 4.483 1.00 14.31 C ATOM 730 O ALA A 45 1.824 -13.468 5.380 1.00 62.35 O ATOM 731 CB ALA A 45 3.829 -13.593 2.894 1.00 45.14 C ATOM 0 H ALA A 45 2.187 -11.809 2.490 1.00 22.10 H new ATOM 0 HA ALA A 45 2.023 -14.592 2.368 1.00 10.50 H new ATOM 0 HB1 ALA A 45 4.364 -14.516 3.119 1.00 45.14 H new ATOM 0 HB2 ALA A 45 4.036 -13.295 1.866 1.00 45.14 H new ATOM 0 HB3 ALA A 45 4.160 -12.807 3.573 1.00 45.14 H new ATOM 737 N PRO A 46 1.967 -15.610 4.698 1.00 13.44 N ATOM 738 CA PRO A 46 1.613 -16.200 5.999 1.00 61.04 C ATOM 739 C PRO A 46 2.481 -15.694 7.153 1.00 61.40 C ATOM 740 O PRO A 46 2.080 -15.762 8.314 1.00 3.41 O ATOM 741 CB PRO A 46 1.844 -17.696 5.782 1.00 73.24 C ATOM 742 CG PRO A 46 1.691 -17.894 4.316 1.00 20.43 C ATOM 743 CD PRO A 46 2.229 -16.646 3.679 1.00 14.54 C ATOM 0 HA PRO A 46 0.595 -15.938 6.287 1.00 61.04 H new ATOM 0 HB2 PRO A 46 2.836 -17.997 6.121 1.00 73.24 H new ATOM 0 HB3 PRO A 46 1.122 -18.293 6.339 1.00 73.24 H new ATOM 0 HG2 PRO A 46 2.241 -18.773 3.980 1.00 20.43 H new ATOM 0 HG3 PRO A 46 0.646 -18.051 4.049 1.00 20.43 H new ATOM 0 HD2 PRO A 46 3.293 -16.733 3.457 1.00 14.54 H new ATOM 0 HD3 PRO A 46 1.724 -16.423 2.739 1.00 14.54 H new ATOM 751 N LEU A 47 3.663 -15.184 6.829 1.00 3.55 N ATOM 752 CA LEU A 47 4.589 -14.694 7.844 1.00 53.53 C ATOM 753 C LEU A 47 4.568 -13.167 7.934 1.00 20.34 C ATOM 754 O LEU A 47 5.345 -12.574 8.681 1.00 71.32 O ATOM 755 CB LEU A 47 6.021 -15.184 7.569 1.00 2.54 C ATOM 756 CG LEU A 47 6.623 -14.785 6.215 1.00 43.41 C ATOM 757 CD1 LEU A 47 8.138 -14.881 6.263 1.00 53.05 C ATOM 758 CD2 LEU A 47 6.090 -15.671 5.098 1.00 70.44 C ATOM 0 H LEU A 47 4.003 -15.099 5.871 1.00 3.55 H new ATOM 0 HA LEU A 47 4.258 -15.097 8.801 1.00 53.53 H new ATOM 0 HB2 LEU A 47 6.671 -14.805 8.358 1.00 2.54 H new ATOM 0 HB3 LEU A 47 6.031 -16.272 7.642 1.00 2.54 H new ATOM 0 HG LEU A 47 6.333 -13.755 6.010 1.00 43.41 H new ATOM 0 HD11 LEU A 47 8.552 -14.595 5.296 1.00 53.05 H new ATOM 0 HD12 LEU A 47 8.521 -14.212 7.033 1.00 53.05 H new ATOM 0 HD13 LEU A 47 8.431 -15.905 6.494 1.00 53.05 H new ATOM 0 HD21 LEU A 47 6.533 -15.367 4.150 1.00 70.44 H new ATOM 0 HD22 LEU A 47 6.349 -16.710 5.303 1.00 70.44 H new ATOM 0 HD23 LEU A 47 5.006 -15.572 5.041 1.00 70.44 H new ATOM 770 N GLY A 48 3.690 -12.534 7.166 1.00 1.53 N ATOM 771 CA GLY A 48 3.560 -11.085 7.214 1.00 61.41 C ATOM 772 C GLY A 48 4.483 -10.377 6.240 1.00 51.44 C ATOM 773 O GLY A 48 4.222 -9.244 5.838 1.00 15.42 O ATOM 0 H GLY A 48 3.063 -12.997 6.508 1.00 1.53 H new ATOM 0 HA2 GLY A 48 2.528 -10.810 6.994 1.00 61.41 H new ATOM 0 HA3 GLY A 48 3.773 -10.739 8.226 1.00 61.41 H new ATOM 777 N ASP A 49 5.563 -11.041 5.861 1.00 24.41 N ATOM 778 CA ASP A 49 6.536 -10.464 4.945 1.00 34.43 C ATOM 779 C ASP A 49 6.781 -11.405 3.777 1.00 31.02 C ATOM 780 O ASP A 49 7.119 -12.572 3.974 1.00 70.03 O ATOM 781 CB ASP A 49 7.854 -10.185 5.675 1.00 33.03 C ATOM 782 CG ASP A 49 8.917 -9.582 4.769 1.00 2.12 C ATOM 783 OD1 ASP A 49 9.000 -8.338 4.687 1.00 73.00 O ATOM 784 OD2 ASP A 49 9.694 -10.349 4.159 1.00 24.21 O ATOM 0 H ASP A 49 5.789 -11.985 6.175 1.00 24.41 H new ATOM 0 HA ASP A 49 6.138 -9.523 4.564 1.00 34.43 H new ATOM 0 HB2 ASP A 49 7.666 -9.507 6.507 1.00 33.03 H new ATOM 0 HB3 ASP A 49 8.232 -11.115 6.101 1.00 33.03 H new ATOM 790 N PRO A 50 6.601 -10.923 2.544 1.00 5.15 N ATOM 791 CA PRO A 50 6.129 -9.577 2.267 1.00 3.33 C ATOM 792 C PRO A 50 4.623 -9.526 2.004 1.00 11.01 C ATOM 793 O PRO A 50 3.892 -10.473 2.307 1.00 63.24 O ATOM 794 CB PRO A 50 6.910 -9.234 0.999 1.00 52.44 C ATOM 795 CG PRO A 50 7.107 -10.540 0.288 1.00 22.13 C ATOM 796 CD PRO A 50 6.868 -11.647 1.294 1.00 74.43 C ATOM 0 HA PRO A 50 6.282 -8.890 3.100 1.00 3.33 H new ATOM 0 HB2 PRO A 50 6.360 -8.527 0.378 1.00 52.44 H new ATOM 0 HB3 PRO A 50 7.866 -8.769 1.240 1.00 52.44 H new ATOM 0 HG2 PRO A 50 6.416 -10.628 -0.550 1.00 22.13 H new ATOM 0 HG3 PRO A 50 8.115 -10.605 -0.122 1.00 22.13 H new ATOM 0 HD2 PRO A 50 6.025 -12.276 1.006 1.00 74.43 H new ATOM 0 HD3 PRO A 50 7.736 -12.300 1.386 1.00 74.43 H new ATOM 804 N ILE A 51 4.161 -8.412 1.456 1.00 61.51 N ATOM 805 CA ILE A 51 2.767 -8.279 1.063 1.00 12.40 C ATOM 806 C ILE A 51 2.658 -8.087 -0.441 1.00 31.33 C ATOM 807 O ILE A 51 3.417 -7.323 -1.043 1.00 64.32 O ATOM 808 CB ILE A 51 2.057 -7.111 1.783 1.00 34.35 C ATOM 809 CG1 ILE A 51 2.856 -5.813 1.632 1.00 62.10 C ATOM 810 CG2 ILE A 51 1.837 -7.444 3.251 1.00 62.01 C ATOM 811 CD1 ILE A 51 2.221 -4.627 2.317 1.00 44.01 C ATOM 0 H ILE A 51 4.732 -7.587 1.273 1.00 61.51 H new ATOM 0 HA ILE A 51 2.268 -9.202 1.358 1.00 12.40 H new ATOM 0 HB ILE A 51 1.083 -6.963 1.317 1.00 34.35 H new ATOM 0 HG12 ILE A 51 3.856 -5.963 2.038 1.00 62.10 H new ATOM 0 HG13 ILE A 51 2.972 -5.590 0.572 1.00 62.10 H new ATOM 0 HG21 ILE A 51 1.336 -6.610 3.742 1.00 62.01 H new ATOM 0 HG22 ILE A 51 1.219 -8.338 3.333 1.00 62.01 H new ATOM 0 HG23 ILE A 51 2.799 -7.623 3.732 1.00 62.01 H new ATOM 0 HD11 ILE A 51 2.843 -3.744 2.167 1.00 44.01 H new ATOM 0 HD12 ILE A 51 1.232 -4.450 1.895 1.00 44.01 H new ATOM 0 HD13 ILE A 51 2.129 -4.829 3.384 1.00 44.01 H new ATOM 823 N GLN A 52 1.731 -8.802 -1.046 1.00 53.20 N ATOM 824 CA GLN A 52 1.500 -8.700 -2.471 1.00 75.35 C ATOM 825 C GLN A 52 0.333 -7.764 -2.732 1.00 33.11 C ATOM 826 O GLN A 52 -0.738 -7.923 -2.149 1.00 43.44 O ATOM 827 CB GLN A 52 1.210 -10.075 -3.090 1.00 0.14 C ATOM 828 CG GLN A 52 2.391 -11.041 -3.089 1.00 23.03 C ATOM 829 CD GLN A 52 2.731 -11.580 -1.710 1.00 63.21 C ATOM 830 OE1 GLN A 52 3.554 -11.019 -0.992 1.00 72.41 O ATOM 831 NE2 GLN A 52 2.102 -12.684 -1.338 1.00 13.23 N ATOM 0 H GLN A 52 1.121 -9.465 -0.567 1.00 53.20 H new ATOM 0 HA GLN A 52 2.403 -8.304 -2.935 1.00 75.35 H new ATOM 0 HB2 GLN A 52 0.383 -10.534 -2.548 1.00 0.14 H new ATOM 0 HB3 GLN A 52 0.877 -9.932 -4.118 1.00 0.14 H new ATOM 0 HG2 GLN A 52 2.167 -11.877 -3.752 1.00 23.03 H new ATOM 0 HG3 GLN A 52 3.265 -10.534 -3.498 1.00 23.03 H new ATOM 0 HE21 GLN A 52 1.425 -13.120 -1.963 1.00 13.23 H new ATOM 0 HE22 GLN A 52 2.295 -13.098 -0.426 1.00 13.23 H new ATOM 840 N ILE A 53 0.541 -6.786 -3.592 1.00 45.42 N ATOM 841 CA ILE A 53 -0.502 -5.838 -3.948 1.00 15.21 C ATOM 842 C ILE A 53 -0.691 -5.824 -5.457 1.00 4.23 C ATOM 843 O ILE A 53 0.214 -6.197 -6.201 1.00 45.31 O ATOM 844 CB ILE A 53 -0.165 -4.408 -3.466 1.00 60.21 C ATOM 845 CG1 ILE A 53 1.148 -3.924 -4.093 1.00 54.24 C ATOM 846 CG2 ILE A 53 -0.079 -4.371 -1.949 1.00 33.41 C ATOM 847 CD1 ILE A 53 1.498 -2.492 -3.747 1.00 41.14 C ATOM 0 H ILE A 53 1.432 -6.625 -4.062 1.00 45.42 H new ATOM 0 HA ILE A 53 -1.420 -6.157 -3.455 1.00 15.21 H new ATOM 0 HB ILE A 53 -0.963 -3.737 -3.784 1.00 60.21 H new ATOM 0 HG12 ILE A 53 1.958 -4.576 -3.766 1.00 54.24 H new ATOM 0 HG13 ILE A 53 1.080 -4.020 -5.177 1.00 54.24 H new ATOM 0 HG21 ILE A 53 0.159 -3.359 -1.623 1.00 33.41 H new ATOM 0 HG22 ILE A 53 -1.035 -4.674 -1.523 1.00 33.41 H new ATOM 0 HG23 ILE A 53 0.701 -5.054 -1.612 1.00 33.41 H new ATOM 0 HD11 ILE A 53 2.439 -2.221 -4.226 1.00 41.14 H new ATOM 0 HD12 ILE A 53 0.708 -1.829 -4.099 1.00 41.14 H new ATOM 0 HD13 ILE A 53 1.600 -2.393 -2.666 1.00 41.14 H new ATOM 859 N ASN A 54 -1.861 -5.414 -5.913 1.00 63.32 N ATOM 860 CA ASN A 54 -2.118 -5.337 -7.342 1.00 62.00 C ATOM 861 C ASN A 54 -2.445 -3.906 -7.727 1.00 11.33 C ATOM 862 O ASN A 54 -3.493 -3.377 -7.354 1.00 33.00 O ATOM 863 CB ASN A 54 -3.265 -6.266 -7.739 1.00 31.15 C ATOM 864 CG ASN A 54 -3.393 -6.413 -9.245 1.00 3.44 C ATOM 865 OD1 ASN A 54 -4.097 -5.644 -9.897 1.00 3.33 O ATOM 866 ND2 ASN A 54 -2.719 -7.408 -9.807 1.00 25.41 N ATOM 0 H ASN A 54 -2.643 -5.131 -5.322 1.00 63.32 H new ATOM 0 HA ASN A 54 -1.223 -5.657 -7.875 1.00 62.00 H new ATOM 0 HB2 ASN A 54 -3.106 -7.248 -7.293 1.00 31.15 H new ATOM 0 HB3 ASN A 54 -4.200 -5.879 -7.333 1.00 31.15 H new ATOM 0 HD21 ASN A 54 -2.774 -7.556 -10.815 1.00 25.41 H new ATOM 0 HD22 ASN A 54 -2.146 -8.025 -9.231 1.00 25.41 H new ATOM 873 N VAL A 55 -1.534 -3.275 -8.452 1.00 42.15 N ATOM 874 CA VAL A 55 -1.687 -1.881 -8.837 1.00 31.52 C ATOM 875 C VAL A 55 -1.258 -1.687 -10.284 1.00 15.45 C ATOM 876 O VAL A 55 -0.245 -2.242 -10.711 1.00 45.52 O ATOM 877 CB VAL A 55 -0.844 -0.945 -7.939 1.00 71.31 C ATOM 878 CG1 VAL A 55 -1.159 0.511 -8.235 1.00 34.21 C ATOM 879 CG2 VAL A 55 -1.065 -1.249 -6.466 1.00 22.44 C ATOM 0 H VAL A 55 -0.675 -3.711 -8.788 1.00 42.15 H new ATOM 0 HA VAL A 55 -2.740 -1.626 -8.718 1.00 31.52 H new ATOM 0 HB VAL A 55 0.207 -1.125 -8.166 1.00 71.31 H new ATOM 0 HG11 VAL A 55 -0.555 1.152 -7.592 1.00 34.21 H new ATOM 0 HG12 VAL A 55 -0.933 0.727 -9.279 1.00 34.21 H new ATOM 0 HG13 VAL A 55 -2.216 0.700 -8.046 1.00 34.21 H new ATOM 0 HG21 VAL A 55 -0.459 -0.575 -5.860 1.00 22.44 H new ATOM 0 HG22 VAL A 55 -2.118 -1.111 -6.220 1.00 22.44 H new ATOM 0 HG23 VAL A 55 -0.777 -2.280 -6.260 1.00 22.44 H new ATOM 889 N ARG A 56 -2.051 -0.929 -11.041 1.00 53.11 N ATOM 890 CA ARG A 56 -1.725 -0.578 -12.427 1.00 25.51 C ATOM 891 C ARG A 56 -1.766 -1.804 -13.337 1.00 72.12 C ATOM 892 O ARG A 56 -1.341 -1.745 -14.490 1.00 61.41 O ATOM 893 CB ARG A 56 -0.344 0.091 -12.515 1.00 32.41 C ATOM 894 CG ARG A 56 -0.196 1.332 -11.647 1.00 2.01 C ATOM 895 CD ARG A 56 -1.234 2.389 -11.996 1.00 52.11 C ATOM 896 NE ARG A 56 -1.172 3.540 -11.096 1.00 54.12 N ATOM 897 CZ ARG A 56 -0.814 4.766 -11.481 1.00 53.24 C ATOM 898 NH1 ARG A 56 -0.448 4.991 -12.738 1.00 22.15 N ATOM 899 NH2 ARG A 56 -0.820 5.763 -10.607 1.00 62.11 N ATOM 0 H ARG A 56 -2.936 -0.541 -10.714 1.00 53.11 H new ATOM 0 HA ARG A 56 -2.482 0.129 -12.767 1.00 25.51 H new ATOM 0 HB2 ARG A 56 0.417 -0.634 -12.226 1.00 32.41 H new ATOM 0 HB3 ARG A 56 -0.149 0.362 -13.553 1.00 32.41 H new ATOM 0 HG2 ARG A 56 -0.296 1.056 -10.597 1.00 2.01 H new ATOM 0 HG3 ARG A 56 0.804 1.748 -11.773 1.00 2.01 H new ATOM 0 HD2 ARG A 56 -1.080 2.723 -13.022 1.00 52.11 H new ATOM 0 HD3 ARG A 56 -2.230 1.947 -11.951 1.00 52.11 H new ATOM 0 HE ARG A 56 -1.417 3.397 -10.116 1.00 54.12 H new ATOM 0 HH11 ARG A 56 -0.440 4.225 -13.412 1.00 22.15 H new ATOM 0 HH12 ARG A 56 -0.175 5.930 -13.029 1.00 22.15 H new ATOM 0 HH21 ARG A 56 -1.098 5.592 -9.641 1.00 62.11 H new ATOM 0 HH22 ARG A 56 -0.546 6.701 -10.901 1.00 62.11 H new ATOM 913 N GLY A 57 -2.309 -2.902 -12.827 1.00 34.22 N ATOM 914 CA GLY A 57 -2.315 -4.149 -13.570 1.00 33.34 C ATOM 915 C GLY A 57 -1.120 -5.022 -13.232 1.00 30.32 C ATOM 916 O GLY A 57 -0.988 -6.142 -13.734 1.00 74.45 O ATOM 0 H GLY A 57 -2.748 -2.952 -11.907 1.00 34.22 H new ATOM 0 HA2 GLY A 57 -3.234 -4.694 -13.355 1.00 33.34 H new ATOM 0 HA3 GLY A 57 -2.315 -3.934 -14.639 1.00 33.34 H new ATOM 920 N TYR A 58 -0.250 -4.506 -12.378 1.00 13.12 N ATOM 921 CA TYR A 58 0.943 -5.224 -11.964 1.00 71.15 C ATOM 922 C TYR A 58 0.816 -5.705 -10.529 1.00 42.45 C ATOM 923 O TYR A 58 0.308 -4.991 -9.664 1.00 13.42 O ATOM 924 CB TYR A 58 2.179 -4.333 -12.086 1.00 40.33 C ATOM 925 CG TYR A 58 2.602 -4.055 -13.510 1.00 4.30 C ATOM 926 CD1 TYR A 58 3.479 -4.908 -14.167 1.00 42.54 C ATOM 927 CD2 TYR A 58 2.136 -2.939 -14.195 1.00 12.23 C ATOM 928 CE1 TYR A 58 3.878 -4.660 -15.462 1.00 61.25 C ATOM 929 CE2 TYR A 58 2.530 -2.686 -15.495 1.00 72.43 C ATOM 930 CZ TYR A 58 3.403 -3.549 -16.122 1.00 34.42 C ATOM 931 OH TYR A 58 3.800 -3.304 -17.417 1.00 71.41 O ATOM 0 H TYR A 58 -0.351 -3.583 -11.955 1.00 13.12 H new ATOM 0 HA TYR A 58 1.052 -6.086 -12.622 1.00 71.15 H new ATOM 0 HB2 TYR A 58 1.981 -3.385 -11.586 1.00 40.33 H new ATOM 0 HB3 TYR A 58 3.007 -4.805 -11.558 1.00 40.33 H new ATOM 0 HD1 TYR A 58 3.855 -5.781 -13.654 1.00 42.54 H new ATOM 0 HD2 TYR A 58 1.456 -2.259 -13.704 1.00 12.23 H new ATOM 0 HE1 TYR A 58 4.561 -5.334 -15.958 1.00 61.25 H new ATOM 0 HE2 TYR A 58 2.156 -1.817 -16.017 1.00 72.43 H new ATOM 0 HH TYR A 58 3.375 -2.482 -17.740 1.00 71.41 H new ATOM 941 N GLU A 59 1.274 -6.917 -10.280 1.00 43.54 N ATOM 942 CA GLU A 59 1.330 -7.432 -8.928 1.00 33.44 C ATOM 943 C GLU A 59 2.691 -7.124 -8.314 1.00 64.11 C ATOM 944 O GLU A 59 3.717 -7.675 -8.715 1.00 21.35 O ATOM 945 CB GLU A 59 1.043 -8.935 -8.907 1.00 14.10 C ATOM 946 CG GLU A 59 1.782 -9.708 -9.983 1.00 3.51 C ATOM 947 CD GLU A 59 1.592 -11.202 -9.860 1.00 11.20 C ATOM 948 OE1 GLU A 59 2.448 -11.861 -9.234 1.00 15.41 O ATOM 949 OE2 GLU A 59 0.596 -11.724 -10.399 1.00 21.32 O ATOM 0 H GLU A 59 1.612 -7.561 -10.995 1.00 43.54 H new ATOM 0 HA GLU A 59 0.561 -6.942 -8.331 1.00 33.44 H new ATOM 0 HB2 GLU A 59 1.316 -9.335 -7.931 1.00 14.10 H new ATOM 0 HB3 GLU A 59 -0.029 -9.094 -9.028 1.00 14.10 H new ATOM 0 HG2 GLU A 59 1.435 -9.381 -10.963 1.00 3.51 H new ATOM 0 HG3 GLU A 59 2.845 -9.475 -9.927 1.00 3.51 H new ATOM 957 N LEU A 60 2.688 -6.223 -7.353 1.00 42.30 N ATOM 958 CA LEU A 60 3.910 -5.791 -6.698 1.00 21.02 C ATOM 959 C LEU A 60 3.988 -6.404 -5.311 1.00 71.21 C ATOM 960 O LEU A 60 2.963 -6.711 -4.709 1.00 33.51 O ATOM 961 CB LEU A 60 3.941 -4.263 -6.595 1.00 63.22 C ATOM 962 CG LEU A 60 3.772 -3.511 -7.920 1.00 74.34 C ATOM 963 CD1 LEU A 60 3.690 -2.012 -7.680 1.00 71.03 C ATOM 964 CD2 LEU A 60 4.914 -3.831 -8.871 1.00 5.11 C ATOM 0 H LEU A 60 1.843 -5.770 -7.004 1.00 42.30 H new ATOM 0 HA LEU A 60 4.766 -6.121 -7.287 1.00 21.02 H new ATOM 0 HB2 LEU A 60 3.152 -3.946 -5.913 1.00 63.22 H new ATOM 0 HB3 LEU A 60 4.889 -3.965 -6.146 1.00 63.22 H new ATOM 0 HG LEU A 60 2.839 -3.840 -8.378 1.00 74.34 H new ATOM 0 HD11 LEU A 60 3.570 -1.497 -8.633 1.00 71.03 H new ATOM 0 HD12 LEU A 60 2.836 -1.792 -7.039 1.00 71.03 H new ATOM 0 HD13 LEU A 60 4.605 -1.671 -7.196 1.00 71.03 H new ATOM 0 HD21 LEU A 60 4.773 -3.286 -9.805 1.00 5.11 H new ATOM 0 HD22 LEU A 60 5.860 -3.535 -8.417 1.00 5.11 H new ATOM 0 HD23 LEU A 60 4.929 -4.902 -9.074 1.00 5.11 H new ATOM 976 N SER A 61 5.189 -6.601 -4.813 1.00 52.55 N ATOM 977 CA SER A 61 5.355 -7.153 -3.486 1.00 62.24 C ATOM 978 C SER A 61 6.276 -6.263 -2.658 1.00 50.22 C ATOM 979 O SER A 61 7.453 -6.100 -2.977 1.00 44.13 O ATOM 980 CB SER A 61 5.903 -8.579 -3.566 1.00 21.24 C ATOM 981 OG SER A 61 5.733 -9.261 -2.335 1.00 31.43 O ATOM 0 H SER A 61 6.059 -6.389 -5.302 1.00 52.55 H new ATOM 0 HA SER A 61 4.382 -7.191 -2.996 1.00 62.24 H new ATOM 0 HB2 SER A 61 5.393 -9.124 -4.361 1.00 21.24 H new ATOM 0 HB3 SER A 61 6.961 -8.551 -3.827 1.00 21.24 H new ATOM 0 HG SER A 61 4.854 -9.694 -2.320 1.00 31.43 H new ATOM 987 N LEU A 62 5.723 -5.672 -1.612 1.00 53.22 N ATOM 988 CA LEU A 62 6.491 -4.810 -0.726 1.00 50.13 C ATOM 989 C LEU A 62 6.740 -5.514 0.594 1.00 50.13 C ATOM 990 O LEU A 62 5.870 -6.221 1.100 1.00 63.23 O ATOM 991 CB LEU A 62 5.763 -3.481 -0.468 1.00 34.12 C ATOM 992 CG LEU A 62 5.836 -2.439 -1.590 1.00 1.14 C ATOM 993 CD1 LEU A 62 7.282 -2.171 -1.977 1.00 34.45 C ATOM 994 CD2 LEU A 62 5.021 -2.872 -2.799 1.00 14.35 C ATOM 0 H LEU A 62 4.741 -5.773 -1.354 1.00 53.22 H new ATOM 0 HA LEU A 62 7.441 -4.592 -1.213 1.00 50.13 H new ATOM 0 HB2 LEU A 62 4.713 -3.698 -0.270 1.00 34.12 H new ATOM 0 HB3 LEU A 62 6.173 -3.037 0.439 1.00 34.12 H new ATOM 0 HG LEU A 62 5.403 -1.511 -1.216 1.00 1.14 H new ATOM 0 HD11 LEU A 62 7.314 -1.429 -2.775 1.00 34.45 H new ATOM 0 HD12 LEU A 62 7.827 -1.796 -1.111 1.00 34.45 H new ATOM 0 HD13 LEU A 62 7.743 -3.096 -2.323 1.00 34.45 H new ATOM 0 HD21 LEU A 62 5.093 -2.112 -3.577 1.00 14.35 H new ATOM 0 HD22 LEU A 62 5.407 -3.818 -3.178 1.00 14.35 H new ATOM 0 HD23 LEU A 62 3.978 -2.997 -2.509 1.00 14.35 H new ATOM 1006 N ARG A 63 7.929 -5.338 1.144 1.00 12.24 N ATOM 1007 CA ARG A 63 8.238 -5.917 2.438 1.00 45.53 C ATOM 1008 C ARG A 63 7.497 -5.165 3.534 1.00 21.12 C ATOM 1009 O ARG A 63 7.146 -3.994 3.366 1.00 11.11 O ATOM 1010 CB ARG A 63 9.746 -5.909 2.701 1.00 11.01 C ATOM 1011 CG ARG A 63 10.552 -6.567 1.595 1.00 24.20 C ATOM 1012 CD ARG A 63 11.873 -7.106 2.109 1.00 71.21 C ATOM 1013 NE ARG A 63 11.681 -8.274 2.968 1.00 41.34 N ATOM 1014 CZ ARG A 63 12.656 -9.109 3.317 1.00 62.52 C ATOM 1015 NH1 ARG A 63 13.905 -8.876 2.930 1.00 54.22 N ATOM 1016 NH2 ARG A 63 12.376 -10.174 4.056 1.00 4.10 N ATOM 0 H ARG A 63 8.688 -4.805 0.720 1.00 12.24 H new ATOM 0 HA ARG A 63 7.908 -6.956 2.438 1.00 45.53 H new ATOM 0 HB2 ARG A 63 10.081 -4.879 2.822 1.00 11.01 H new ATOM 0 HB3 ARG A 63 9.947 -6.422 3.642 1.00 11.01 H new ATOM 0 HG2 ARG A 63 9.973 -7.380 1.157 1.00 24.20 H new ATOM 0 HG3 ARG A 63 10.738 -5.844 0.801 1.00 24.20 H new ATOM 0 HD2 ARG A 63 12.510 -7.375 1.266 1.00 71.21 H new ATOM 0 HD3 ARG A 63 12.393 -6.326 2.665 1.00 71.21 H new ATOM 0 HE ARG A 63 10.742 -8.460 3.321 1.00 41.34 H new ATOM 0 HH11 ARG A 63 14.119 -8.055 2.364 1.00 54.22 H new ATOM 0 HH12 ARG A 63 14.650 -9.518 3.199 1.00 54.22 H new ATOM 0 HH21 ARG A 63 11.417 -10.350 4.354 1.00 4.10 H new ATOM 0 HH22 ARG A 63 13.120 -10.817 4.326 1.00 4.10 H new ATOM 1030 N LYS A 64 7.269 -5.841 4.653 1.00 0.44 N ATOM 1031 CA LYS A 64 6.471 -5.291 5.749 1.00 24.15 C ATOM 1032 C LYS A 64 7.032 -3.952 6.237 1.00 12.42 C ATOM 1033 O LYS A 64 6.274 -3.057 6.608 1.00 73.50 O ATOM 1034 CB LYS A 64 6.407 -6.297 6.908 1.00 64.42 C ATOM 1035 CG LYS A 64 7.774 -6.759 7.386 1.00 31.14 C ATOM 1036 CD LYS A 64 7.672 -7.748 8.535 1.00 31.10 C ATOM 1037 CE LYS A 64 9.043 -8.267 8.933 1.00 32.53 C ATOM 1038 NZ LYS A 64 8.977 -9.189 10.097 1.00 0.32 N ATOM 0 H LYS A 64 7.628 -6.779 4.829 1.00 0.44 H new ATOM 0 HA LYS A 64 5.464 -5.110 5.374 1.00 24.15 H new ATOM 0 HB2 LYS A 64 5.873 -5.844 7.743 1.00 64.42 H new ATOM 0 HB3 LYS A 64 5.828 -7.165 6.593 1.00 64.42 H new ATOM 0 HG2 LYS A 64 8.311 -7.221 6.557 1.00 31.14 H new ATOM 0 HG3 LYS A 64 8.358 -5.895 7.702 1.00 31.14 H new ATOM 0 HD2 LYS A 64 7.199 -7.268 9.391 1.00 31.10 H new ATOM 0 HD3 LYS A 64 7.034 -8.583 8.245 1.00 31.10 H new ATOM 0 HE2 LYS A 64 9.494 -8.785 8.086 1.00 32.53 H new ATOM 0 HE3 LYS A 64 9.692 -7.425 9.174 1.00 32.53 H new ATOM 0 HZ1 LYS A 64 9.935 -9.518 10.334 1.00 0.32 H new ATOM 0 HZ2 LYS A 64 8.571 -8.689 10.914 1.00 0.32 H new ATOM 0 HZ3 LYS A 64 8.379 -10.006 9.859 1.00 0.32 H new ATOM 1052 N SER A 65 8.354 -3.818 6.208 1.00 0.03 N ATOM 1053 CA SER A 65 9.023 -2.605 6.662 1.00 1.54 C ATOM 1054 C SER A 65 8.589 -1.389 5.844 1.00 2.44 C ATOM 1055 O SER A 65 8.386 -0.305 6.385 1.00 21.00 O ATOM 1056 CB SER A 65 10.537 -2.790 6.561 1.00 42.22 C ATOM 1057 OG SER A 65 10.934 -4.018 7.148 1.00 33.32 O ATOM 0 H SER A 65 8.988 -4.543 5.871 1.00 0.03 H new ATOM 0 HA SER A 65 8.742 -2.426 7.700 1.00 1.54 H new ATOM 0 HB2 SER A 65 10.842 -2.766 5.515 1.00 42.22 H new ATOM 0 HB3 SER A 65 11.043 -1.963 7.059 1.00 42.22 H new ATOM 0 HG SER A 65 11.906 -4.118 7.071 1.00 33.32 H new ATOM 1063 N ALA A 66 8.436 -1.576 4.539 1.00 35.43 N ATOM 1064 CA ALA A 66 8.013 -0.490 3.668 1.00 55.22 C ATOM 1065 C ALA A 66 6.525 -0.230 3.844 1.00 13.03 C ATOM 1066 O ALA A 66 6.072 0.909 3.771 1.00 22.01 O ATOM 1067 CB ALA A 66 8.329 -0.810 2.215 1.00 1.23 C ATOM 0 H ALA A 66 8.598 -2.464 4.064 1.00 35.43 H new ATOM 0 HA ALA A 66 8.563 0.410 3.944 1.00 55.22 H new ATOM 0 HB1 ALA A 66 8.004 0.016 1.582 1.00 1.23 H new ATOM 0 HB2 ALA A 66 9.403 -0.955 2.100 1.00 1.23 H new ATOM 0 HB3 ALA A 66 7.806 -1.720 1.921 1.00 1.23 H new ATOM 1073 N ALA A 67 5.777 -1.297 4.101 1.00 3.51 N ATOM 1074 CA ALA A 67 4.334 -1.209 4.277 1.00 0.11 C ATOM 1075 C ALA A 67 3.970 -0.305 5.454 1.00 53.23 C ATOM 1076 O ALA A 67 3.059 0.518 5.362 1.00 61.32 O ATOM 1077 CB ALA A 67 3.749 -2.594 4.487 1.00 62.31 C ATOM 0 H ALA A 67 6.152 -2.241 4.193 1.00 3.51 H new ATOM 0 HA ALA A 67 3.912 -0.771 3.372 1.00 0.11 H new ATOM 0 HB1 ALA A 67 2.670 -2.517 4.618 1.00 62.31 H new ATOM 0 HB2 ALA A 67 3.966 -3.216 3.619 1.00 62.31 H new ATOM 0 HB3 ALA A 67 4.191 -3.045 5.376 1.00 62.31 H new ATOM 1083 N GLU A 68 4.690 -0.459 6.556 1.00 1.11 N ATOM 1084 CA GLU A 68 4.421 0.319 7.760 1.00 35.24 C ATOM 1085 C GLU A 68 4.959 1.743 7.632 1.00 42.05 C ATOM 1086 O GLU A 68 4.657 2.611 8.453 1.00 1.31 O ATOM 1087 CB GLU A 68 5.021 -0.373 8.985 1.00 30.44 C ATOM 1088 CG GLU A 68 6.513 -0.622 8.883 1.00 71.45 C ATOM 1089 CD GLU A 68 7.065 -1.307 10.111 1.00 64.02 C ATOM 1090 OE1 GLU A 68 7.269 -2.538 10.071 1.00 5.41 O ATOM 1091 OE2 GLU A 68 7.280 -0.618 11.129 1.00 41.13 O ATOM 0 H GLU A 68 5.466 -1.116 6.643 1.00 1.11 H new ATOM 0 HA GLU A 68 3.340 0.381 7.886 1.00 35.24 H new ATOM 0 HB2 GLU A 68 4.824 0.237 9.867 1.00 30.44 H new ATOM 0 HB3 GLU A 68 4.513 -1.326 9.136 1.00 30.44 H new ATOM 0 HG2 GLU A 68 6.718 -1.235 8.005 1.00 71.45 H new ATOM 0 HG3 GLU A 68 7.028 0.327 8.737 1.00 71.45 H new ATOM 1099 N MET A 69 5.753 1.981 6.597 1.00 53.45 N ATOM 1100 CA MET A 69 6.284 3.311 6.331 1.00 74.13 C ATOM 1101 C MET A 69 5.355 4.084 5.408 1.00 22.34 C ATOM 1102 O MET A 69 5.508 5.293 5.221 1.00 32.24 O ATOM 1103 CB MET A 69 7.679 3.222 5.713 1.00 74.11 C ATOM 1104 CG MET A 69 8.752 2.796 6.697 1.00 64.41 C ATOM 1105 SD MET A 69 10.375 2.620 5.926 1.00 24.52 S ATOM 1106 CE MET A 69 11.359 2.086 7.324 1.00 72.12 C ATOM 0 H MET A 69 6.044 1.269 5.927 1.00 53.45 H new ATOM 0 HA MET A 69 6.356 3.841 7.280 1.00 74.13 H new ATOM 0 HB2 MET A 69 7.656 2.514 4.884 1.00 74.11 H new ATOM 0 HB3 MET A 69 7.945 4.193 5.296 1.00 74.11 H new ATOM 0 HG2 MET A 69 8.814 3.530 7.501 1.00 64.41 H new ATOM 0 HG3 MET A 69 8.466 1.848 7.152 1.00 64.41 H new ATOM 0 HE1 MET A 69 12.391 1.935 7.006 1.00 72.12 H new ATOM 0 HE2 MET A 69 11.327 2.847 8.103 1.00 72.12 H new ATOM 0 HE3 MET A 69 10.959 1.150 7.715 1.00 72.12 H new ATOM 1116 N ILE A 70 4.392 3.385 4.834 1.00 2.24 N ATOM 1117 CA ILE A 70 3.433 4.008 3.940 1.00 4.11 C ATOM 1118 C ILE A 70 2.148 4.320 4.683 1.00 30.40 C ATOM 1119 O ILE A 70 1.597 3.467 5.370 1.00 61.35 O ATOM 1120 CB ILE A 70 3.121 3.110 2.723 1.00 61.53 C ATOM 1121 CG1 ILE A 70 4.410 2.770 1.976 1.00 62.25 C ATOM 1122 CG2 ILE A 70 2.129 3.790 1.786 1.00 61.40 C ATOM 1123 CD1 ILE A 70 5.237 3.984 1.613 1.00 55.30 C ATOM 0 H ILE A 70 4.253 2.384 4.972 1.00 2.24 H new ATOM 0 HA ILE A 70 3.879 4.933 3.575 1.00 4.11 H new ATOM 0 HB ILE A 70 2.668 2.187 3.085 1.00 61.53 H new ATOM 0 HG12 ILE A 70 5.012 2.102 2.592 1.00 62.25 H new ATOM 0 HG13 ILE A 70 4.160 2.226 1.065 1.00 62.25 H new ATOM 0 HG21 ILE A 70 1.925 3.138 0.937 1.00 61.40 H new ATOM 0 HG22 ILE A 70 1.201 3.989 2.321 1.00 61.40 H new ATOM 0 HG23 ILE A 70 2.551 4.730 1.429 1.00 61.40 H new ATOM 0 HD11 ILE A 70 6.136 3.667 1.085 1.00 55.30 H new ATOM 0 HD12 ILE A 70 4.653 4.643 0.971 1.00 55.30 H new ATOM 0 HD13 ILE A 70 5.518 4.517 2.521 1.00 55.30 H new ATOM 1135 N GLU A 71 1.690 5.550 4.552 1.00 65.54 N ATOM 1136 CA GLU A 71 0.466 5.984 5.198 1.00 21.53 C ATOM 1137 C GLU A 71 -0.665 6.016 4.181 1.00 1.22 C ATOM 1138 O GLU A 71 -0.550 6.664 3.136 1.00 74.14 O ATOM 1139 CB GLU A 71 0.672 7.363 5.819 1.00 63.04 C ATOM 1140 CG GLU A 71 -0.553 7.932 6.513 1.00 65.45 C ATOM 1141 CD GLU A 71 -0.210 8.563 7.845 1.00 63.30 C ATOM 1142 OE1 GLU A 71 -0.958 8.349 8.821 1.00 11.52 O ATOM 1143 OE2 GLU A 71 0.816 9.272 7.920 1.00 72.42 O ATOM 0 H GLU A 71 2.152 6.272 3.999 1.00 65.54 H new ATOM 0 HA GLU A 71 0.202 5.283 5.990 1.00 21.53 H new ATOM 0 HB2 GLU A 71 1.488 7.304 6.540 1.00 63.04 H new ATOM 0 HB3 GLU A 71 0.986 8.056 5.038 1.00 63.04 H new ATOM 0 HG2 GLU A 71 -1.021 8.677 5.869 1.00 65.45 H new ATOM 0 HG3 GLU A 71 -1.284 7.138 6.666 1.00 65.45 H new ATOM 1151 N VAL A 72 -1.747 5.317 4.483 1.00 30.01 N ATOM 1152 CA VAL A 72 -2.853 5.184 3.549 1.00 23.25 C ATOM 1153 C VAL A 72 -4.188 5.456 4.229 1.00 72.41 C ATOM 1154 O VAL A 72 -4.255 5.661 5.441 1.00 74.32 O ATOM 1155 CB VAL A 72 -2.892 3.776 2.910 1.00 11.04 C ATOM 1156 CG1 VAL A 72 -1.660 3.539 2.049 1.00 20.11 C ATOM 1157 CG2 VAL A 72 -3.007 2.699 3.980 1.00 52.41 C ATOM 0 H VAL A 72 -1.883 4.832 5.370 1.00 30.01 H new ATOM 0 HA VAL A 72 -2.690 5.925 2.767 1.00 23.25 H new ATOM 0 HB VAL A 72 -3.774 3.721 2.271 1.00 11.04 H new ATOM 0 HG11 VAL A 72 -1.709 2.543 1.610 1.00 20.11 H new ATOM 0 HG12 VAL A 72 -1.623 4.284 1.254 1.00 20.11 H new ATOM 0 HG13 VAL A 72 -0.764 3.620 2.665 1.00 20.11 H new ATOM 0 HG21 VAL A 72 -3.033 1.717 3.507 1.00 52.41 H new ATOM 0 HG22 VAL A 72 -2.148 2.757 4.649 1.00 52.41 H new ATOM 0 HG23 VAL A 72 -3.923 2.850 4.552 1.00 52.41 H new ATOM 1167 N GLU A 73 -5.240 5.464 3.429 1.00 32.20 N ATOM 1168 CA GLU A 73 -6.593 5.646 3.925 1.00 63.14 C ATOM 1169 C GLU A 73 -7.536 4.701 3.189 1.00 31.44 C ATOM 1170 O GLU A 73 -7.369 4.463 1.995 1.00 54.15 O ATOM 1171 CB GLU A 73 -7.037 7.104 3.739 1.00 54.12 C ATOM 1172 CG GLU A 73 -8.468 7.382 4.179 1.00 31.23 C ATOM 1173 CD GLU A 73 -8.703 7.083 5.649 1.00 45.41 C ATOM 1174 OE1 GLU A 73 -8.910 5.900 5.995 1.00 21.13 O ATOM 1175 OE2 GLU A 73 -8.697 8.032 6.460 1.00 65.13 O ATOM 0 H GLU A 73 -5.180 5.345 2.418 1.00 32.20 H new ATOM 0 HA GLU A 73 -6.620 5.416 4.990 1.00 63.14 H new ATOM 0 HB2 GLU A 73 -6.364 7.751 4.301 1.00 54.12 H new ATOM 0 HB3 GLU A 73 -6.934 7.372 2.688 1.00 54.12 H new ATOM 0 HG2 GLU A 73 -8.706 8.428 3.984 1.00 31.23 H new ATOM 0 HG3 GLU A 73 -9.151 6.782 3.578 1.00 31.23 H new ATOM 1183 N LEU A 74 -8.517 4.166 3.898 1.00 45.41 N ATOM 1184 CA LEU A 74 -9.469 3.238 3.305 1.00 22.35 C ATOM 1185 C LEU A 74 -10.374 3.961 2.326 1.00 10.21 C ATOM 1186 O LEU A 74 -10.880 5.046 2.625 1.00 40.04 O ATOM 1187 CB LEU A 74 -10.324 2.560 4.384 1.00 52.14 C ATOM 1188 CG LEU A 74 -9.758 1.262 4.968 1.00 60.21 C ATOM 1189 CD1 LEU A 74 -9.630 0.202 3.885 1.00 51.45 C ATOM 1190 CD2 LEU A 74 -8.419 1.511 5.641 1.00 31.00 C ATOM 0 H LEU A 74 -8.676 4.358 4.887 1.00 45.41 H new ATOM 0 HA LEU A 74 -8.900 2.473 2.776 1.00 22.35 H new ATOM 0 HB2 LEU A 74 -10.474 3.268 5.199 1.00 52.14 H new ATOM 0 HB3 LEU A 74 -11.306 2.348 3.962 1.00 52.14 H new ATOM 0 HG LEU A 74 -10.452 0.896 5.725 1.00 60.21 H new ATOM 0 HD11 LEU A 74 -9.226 -0.713 4.318 1.00 51.45 H new ATOM 0 HD12 LEU A 74 -10.612 -0.001 3.457 1.00 51.45 H new ATOM 0 HD13 LEU A 74 -8.960 0.560 3.103 1.00 51.45 H new ATOM 0 HD21 LEU A 74 -8.037 0.575 6.048 1.00 31.00 H new ATOM 0 HD22 LEU A 74 -7.712 1.904 4.910 1.00 31.00 H new ATOM 0 HD23 LEU A 74 -8.546 2.233 6.448 1.00 31.00 H new ATOM 1202 N GLU A 75 -10.560 3.376 1.151 1.00 74.52 N ATOM 1203 CA GLU A 75 -11.488 3.924 0.180 1.00 72.45 C ATOM 1204 C GLU A 75 -12.905 3.721 0.689 1.00 52.12 C ATOM 1205 O GLU A 75 -13.440 2.611 0.651 1.00 31.10 O ATOM 1206 CB GLU A 75 -11.299 3.263 -1.192 1.00 64.40 C ATOM 1207 CG GLU A 75 -12.013 3.972 -2.344 1.00 10.14 C ATOM 1208 CD GLU A 75 -13.527 3.846 -2.292 1.00 20.12 C ATOM 1209 OE1 GLU A 75 -14.200 4.823 -1.897 1.00 52.14 O ATOM 1210 OE2 GLU A 75 -14.049 2.770 -2.642 1.00 53.25 O ATOM 0 H GLU A 75 -10.082 2.526 0.851 1.00 74.52 H new ATOM 0 HA GLU A 75 -11.296 4.990 0.055 1.00 72.45 H new ATOM 0 HB2 GLU A 75 -10.233 3.218 -1.415 1.00 64.40 H new ATOM 0 HB3 GLU A 75 -11.657 2.235 -1.138 1.00 64.40 H new ATOM 0 HG2 GLU A 75 -11.744 5.028 -2.332 1.00 10.14 H new ATOM 0 HG3 GLU A 75 -11.655 3.563 -3.289 1.00 10.14 H new ATOM 1218 N HIS A 76 -13.479 4.789 1.210 1.00 61.41 N ATOM 1219 CA HIS A 76 -14.850 4.777 1.681 1.00 43.42 C ATOM 1220 C HIS A 76 -15.323 6.212 1.829 1.00 35.24 C ATOM 1221 O HIS A 76 -15.467 6.723 2.939 1.00 41.21 O ATOM 1222 CB HIS A 76 -14.963 4.022 3.011 1.00 14.11 C ATOM 1223 CG HIS A 76 -16.329 3.469 3.275 1.00 3.11 C ATOM 1224 ND1 HIS A 76 -16.789 3.161 4.538 1.00 75.33 N ATOM 1225 CD2 HIS A 76 -17.327 3.137 2.424 1.00 40.42 C ATOM 1226 CE1 HIS A 76 -18.010 2.664 4.449 1.00 34.24 C ATOM 1227 NE2 HIS A 76 -18.357 2.643 3.180 1.00 73.20 N ATOM 0 H HIS A 76 -13.009 5.688 1.318 1.00 61.41 H new ATOM 0 HA HIS A 76 -15.481 4.257 0.960 1.00 43.42 H new ATOM 0 HB2 HIS A 76 -14.242 3.204 3.017 1.00 14.11 H new ATOM 0 HB3 HIS A 76 -14.689 4.694 3.824 1.00 14.11 H new ATOM 0 HD2 HIS A 76 -17.314 3.242 1.349 1.00 40.42 H new ATOM 0 HE1 HIS A 76 -18.619 2.332 5.277 1.00 34.24 H new ATOM 0 HE2 HIS A 76 -19.251 2.312 2.817 1.00 73.20 H new ATOM 1236 N HIS A 77 -15.517 6.848 0.680 1.00 24.23 N ATOM 1237 CA HIS A 77 -15.865 8.264 0.584 1.00 23.41 C ATOM 1238 C HIS A 77 -16.999 8.656 1.531 1.00 2.44 C ATOM 1239 O HIS A 77 -18.141 8.225 1.366 1.00 22.20 O ATOM 1240 CB HIS A 77 -16.260 8.577 -0.862 1.00 50.32 C ATOM 1241 CG HIS A 77 -16.623 10.007 -1.116 1.00 61.11 C ATOM 1242 ND1 HIS A 77 -17.924 10.442 -1.220 1.00 21.51 N ATOM 1243 CD2 HIS A 77 -15.849 11.097 -1.313 1.00 21.33 C ATOM 1244 CE1 HIS A 77 -17.935 11.734 -1.472 1.00 45.42 C ATOM 1245 NE2 HIS A 77 -16.688 12.163 -1.536 1.00 15.31 N ATOM 0 H HIS A 77 -15.436 6.389 -0.227 1.00 24.23 H new ATOM 0 HA HIS A 77 -14.993 8.846 0.881 1.00 23.41 H new ATOM 0 HB2 HIS A 77 -15.433 8.304 -1.517 1.00 50.32 H new ATOM 0 HB3 HIS A 77 -17.106 7.947 -1.138 1.00 50.32 H new ATOM 0 HD2 HIS A 77 -14.769 11.126 -1.298 1.00 21.33 H new ATOM 0 HE1 HIS A 77 -18.818 12.342 -1.604 1.00 45.42 H new ATOM 0 HE2 HIS A 77 -16.396 13.123 -1.720 1.00 15.31 H new ATOM 1254 N HIS A 78 -16.665 9.473 2.521 1.00 41.34 N ATOM 1255 CA HIS A 78 -17.657 10.023 3.436 1.00 30.33 C ATOM 1256 C HIS A 78 -17.560 11.540 3.489 1.00 71.43 C ATOM 1257 O HIS A 78 -16.495 12.119 3.264 1.00 35.42 O ATOM 1258 CB HIS A 78 -17.477 9.465 4.851 1.00 1.34 C ATOM 1259 CG HIS A 78 -18.202 8.179 5.100 1.00 21.23 C ATOM 1260 ND1 HIS A 78 -17.565 7.010 5.447 1.00 51.02 N ATOM 1261 CD2 HIS A 78 -19.525 7.895 5.089 1.00 11.14 C ATOM 1262 CE1 HIS A 78 -18.464 6.063 5.638 1.00 11.35 C ATOM 1263 NE2 HIS A 78 -19.659 6.573 5.430 1.00 71.41 N ATOM 0 H HIS A 78 -15.708 9.771 2.712 1.00 41.34 H new ATOM 0 HA HIS A 78 -18.638 9.732 3.060 1.00 30.33 H new ATOM 0 HB2 HIS A 78 -16.414 9.312 5.037 1.00 1.34 H new ATOM 0 HB3 HIS A 78 -17.822 10.209 5.569 1.00 1.34 H new ATOM 0 HD2 HIS A 78 -20.326 8.581 4.855 1.00 11.14 H new ATOM 0 HE1 HIS A 78 -18.254 5.041 5.918 1.00 11.35 H new ATOM 0 HE2 HIS A 78 -20.541 6.068 5.509 1.00 71.41 H new ATOM 1272 N HIS A 79 -18.683 12.176 3.778 1.00 62.51 N ATOM 1273 CA HIS A 79 -18.725 13.607 4.024 1.00 65.25 C ATOM 1274 C HIS A 79 -19.426 13.875 5.342 1.00 20.13 C ATOM 1275 O HIS A 79 -20.646 13.776 5.436 1.00 24.14 O ATOM 1276 CB HIS A 79 -19.439 14.350 2.892 1.00 20.24 C ATOM 1277 CG HIS A 79 -18.553 14.667 1.734 1.00 64.53 C ATOM 1278 ND1 HIS A 79 -19.029 14.919 0.467 1.00 71.54 N ATOM 1279 CD2 HIS A 79 -17.210 14.801 1.662 1.00 3.31 C ATOM 1280 CE1 HIS A 79 -18.016 15.194 -0.332 1.00 4.02 C ATOM 1281 NE2 HIS A 79 -16.902 15.129 0.370 1.00 41.43 N ATOM 0 H HIS A 79 -19.590 11.715 3.849 1.00 62.51 H new ATOM 0 HA HIS A 79 -17.700 13.975 4.069 1.00 65.25 H new ATOM 0 HB2 HIS A 79 -20.276 13.746 2.543 1.00 20.24 H new ATOM 0 HB3 HIS A 79 -19.857 15.277 3.284 1.00 20.24 H new ATOM 0 HD2 HIS A 79 -16.510 14.673 2.474 1.00 3.31 H new ATOM 0 HE1 HIS A 79 -18.087 15.432 -1.383 1.00 4.02 H new ATOM 0 HE2 HIS A 79 -15.963 15.296 0.009 1.00 41.43 H new ATOM 1290 N HIS A 80 -18.646 14.172 6.365 1.00 4.52 N ATOM 1291 CA HIS A 80 -19.190 14.445 7.681 1.00 10.12 C ATOM 1292 C HIS A 80 -18.212 15.290 8.480 1.00 65.21 C ATOM 1293 O HIS A 80 -16.997 15.115 8.370 1.00 4.24 O ATOM 1294 CB HIS A 80 -19.481 13.133 8.421 1.00 53.23 C ATOM 1295 CG HIS A 80 -20.236 13.308 9.703 1.00 1.43 C ATOM 1296 ND1 HIS A 80 -19.622 13.432 10.931 1.00 13.12 N ATOM 1297 CD2 HIS A 80 -21.565 13.375 9.942 1.00 21.03 C ATOM 1298 CE1 HIS A 80 -20.540 13.567 11.866 1.00 25.15 C ATOM 1299 NE2 HIS A 80 -21.727 13.536 11.294 1.00 4.34 N ATOM 0 H HIS A 80 -17.629 14.230 6.308 1.00 4.52 H new ATOM 0 HA HIS A 80 -20.125 14.994 7.568 1.00 10.12 H new ATOM 0 HB2 HIS A 80 -20.050 12.476 7.763 1.00 53.23 H new ATOM 0 HB3 HIS A 80 -18.537 12.631 8.633 1.00 53.23 H new ATOM 0 HD2 HIS A 80 -22.352 13.313 9.205 1.00 21.03 H new ATOM 0 HE1 HIS A 80 -20.352 13.683 12.923 1.00 25.15 H new ATOM 0 HE2 HIS A 80 -22.621 13.618 11.778 1.00 4.34 H new ATOM 1308 N HIS A 81 -18.746 16.214 9.260 1.00 12.55 N ATOM 1309 CA HIS A 81 -17.934 17.044 10.135 1.00 14.41 C ATOM 1310 C HIS A 81 -18.331 16.783 11.579 1.00 10.44 C ATOM 1311 O HIS A 81 -17.637 15.996 12.254 1.00 37.26 O ATOM 1312 CB HIS A 81 -18.100 18.531 9.800 1.00 35.41 C ATOM 1313 CG HIS A 81 -17.660 18.898 8.416 1.00 71.20 C ATOM 1314 ND1 HIS A 81 -18.198 19.952 7.707 1.00 23.34 N ATOM 1315 CD2 HIS A 81 -16.723 18.347 7.608 1.00 34.34 C ATOM 1316 CE1 HIS A 81 -17.615 20.029 6.526 1.00 10.32 C ATOM 1317 NE2 HIS A 81 -16.717 19.067 6.443 1.00 50.13 N ATOM 1318 OXT HIS A 81 -19.366 17.324 12.015 1.00 37.26 O ATOM 0 H HIS A 81 -19.746 16.410 9.305 1.00 12.55 H new ATOM 0 HA HIS A 81 -16.885 16.787 9.988 1.00 14.41 H new ATOM 0 HB2 HIS A 81 -19.148 18.805 9.921 1.00 35.41 H new ATOM 0 HB3 HIS A 81 -17.531 19.120 10.519 1.00 35.41 H new ATOM 0 HD2 HIS A 81 -16.097 17.498 7.839 1.00 34.34 H new ATOM 0 HE1 HIS A 81 -17.836 20.756 5.758 1.00 10.32 H new ATOM 0 HE2 HIS A 81 -16.114 18.888 5.640 1.00 50.13 H new TER 1327 HIS A 81