USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 614 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 61 CYS SG : rot -143:sc= -0.421! USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.311 X(o=0.48,f=0.031) USER MOD Set 1.3: A 85 CYS SG : rot -90:sc= 0.135 USER MOD Set 1.4: A 87 SER OG : rot -109:sc= 0.696 USER MOD Set 1.5: A 88 CYS SG : rot -149:sc= 0.711 USER MOD Set 1.6: A 90 THR OG1 : rot 91:sc= 0.871 USER MOD Set 1.7: A 92 TYR OH : rot -1:sc= -1.2 USER MOD Set 2.1: A 28 CYS SG : rot 120:sc= 0.744 USER MOD Set 2.2: A 31 CYS SG : rot -57:sc= -0.189 USER MOD Set 2.3: A 39 SER OG : rot 108:sc= 1.2 USER MOD Set 2.4: A 66 HIS : no HE2:sc= -1.73 K(o=0.24,f=-6!) USER MOD Set 2.5: A 69 CYS SG : rot -61:sc= 0.216 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00428) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -63:sc= 0.345 USER MOD Single : A 21 LYS NZ :NH3+ -137:sc= -0.454 (180deg=-2.1!) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -168:sc= -0.0492 (180deg=-0.322) USER MOD Single : A 45 THR OG1 : rot -150:sc= 0 USER MOD Single : A 47 SER OG : rot 90:sc= -0.0833 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -121:sc= -0.714 (180deg=-1.12) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -153:sc= 0.0352 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 136:sc= -0.507 (180deg=-1.48!) USER MOD Single : A 74 TYR OH : rot 4:sc= 0.101 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -3.162 8.511 -0.695 1.00 0.00 N ATOM 67 CA GLU A 8 -2.098 7.796 -1.392 1.00 0.00 C ATOM 68 C GLU A 8 -2.430 6.312 -1.514 1.00 0.00 C ATOM 69 O GLU A 8 -3.107 5.729 -0.666 1.00 0.00 O ATOM 70 CB GLU A 8 -0.768 7.975 -0.657 1.00 0.00 C ATOM 71 CG GLU A 8 -0.232 9.395 -0.706 1.00 0.00 C ATOM 72 CD GLU A 8 0.959 9.601 0.211 1.00 0.00 C ATOM 73 OE1 GLU A 8 1.974 8.895 0.033 1.00 0.00 O ATOM 74 OE2 GLU A 8 0.876 10.469 1.105 1.00 0.00 O ATOM 0 HA GLU A 8 -2.009 8.214 -2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.895 7.680 0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.029 7.302 -1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.056 9.636 -1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.025 10.089 -0.427 1.00 0.00 H new ATOM 81 N PRO A 9 -1.942 5.684 -2.594 1.00 0.00 N ATOM 82 CA PRO A 9 -2.172 4.260 -2.853 1.00 0.00 C ATOM 83 C PRO A 9 -1.424 3.363 -1.873 1.00 0.00 C ATOM 84 O PRO A 9 -1.940 2.333 -1.442 1.00 0.00 O ATOM 85 CB PRO A 9 -1.634 4.066 -4.273 1.00 0.00 C ATOM 86 CG PRO A 9 -0.624 5.147 -4.446 1.00 0.00 C ATOM 87 CD PRO A 9 -1.126 6.316 -3.645 1.00 0.00 C ATOM 0 HA PRO A 9 -3.222 3.990 -2.739 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.184 3.081 -4.395 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.431 4.146 -5.013 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.356 4.825 -4.094 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.514 5.413 -5.497 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.305 6.896 -3.222 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.717 6.998 -4.256 1.00 0.00 H new ATOM 95 N GLU A 10 -0.205 3.763 -1.525 1.00 0.00 N ATOM 96 CA GLU A 10 0.614 2.994 -0.595 1.00 0.00 C ATOM 97 C GLU A 10 -0.196 2.581 0.630 1.00 0.00 C ATOM 98 O GLU A 10 0.047 1.530 1.222 1.00 0.00 O ATOM 99 CB GLU A 10 1.835 3.808 -0.162 1.00 0.00 C ATOM 100 CG GLU A 10 2.998 3.726 -1.137 1.00 0.00 C ATOM 101 CD GLU A 10 3.964 4.886 -0.992 1.00 0.00 C ATOM 102 OE1 GLU A 10 3.645 5.989 -1.482 1.00 0.00 O ATOM 103 OE2 GLU A 10 5.039 4.690 -0.387 1.00 0.00 O ATOM 0 H GLU A 10 0.237 4.614 -1.873 1.00 0.00 H new ATOM 0 HA GLU A 10 0.951 2.093 -1.107 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.543 4.852 -0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.166 3.458 0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.534 2.790 -0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.612 3.705 -2.156 1.00 0.00 H new ATOM 110 N GLN A 11 -1.159 3.417 1.005 1.00 0.00 N ATOM 111 CA GLN A 11 -2.004 3.140 2.160 1.00 0.00 C ATOM 112 C GLN A 11 -3.107 2.149 1.803 1.00 0.00 C ATOM 113 O GLN A 11 -3.461 1.283 2.603 1.00 0.00 O ATOM 114 CB GLN A 11 -2.619 4.436 2.691 1.00 0.00 C ATOM 115 CG GLN A 11 -1.612 5.359 3.358 1.00 0.00 C ATOM 116 CD GLN A 11 -2.271 6.422 4.215 1.00 0.00 C ATOM 117 OE1 GLN A 11 -2.744 7.440 3.708 1.00 0.00 O ATOM 118 NE2 GLN A 11 -2.307 6.190 5.522 1.00 0.00 N ATOM 0 H GLN A 11 -1.373 4.291 0.526 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.380 2.697 2.937 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.095 4.967 1.867 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.403 4.190 3.407 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.936 4.767 3.976 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.004 5.841 2.592 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.903 5.333 5.899 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.739 6.869 6.149 1.00 0.00 H new ATOM 127 N VAL A 12 -3.648 2.283 0.596 1.00 0.00 N ATOM 128 CA VAL A 12 -4.711 1.399 0.132 1.00 0.00 C ATOM 129 C VAL A 12 -4.238 -0.049 0.081 1.00 0.00 C ATOM 130 O VAL A 12 -4.950 -0.961 0.502 1.00 0.00 O ATOM 131 CB VAL A 12 -5.216 1.813 -1.263 1.00 0.00 C ATOM 132 CG1 VAL A 12 -6.278 0.842 -1.756 1.00 0.00 C ATOM 133 CG2 VAL A 12 -5.755 3.235 -1.233 1.00 0.00 C ATOM 0 H VAL A 12 -3.368 2.995 -0.078 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.530 1.485 0.847 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.378 1.781 -1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.623 1.150 -2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.854 -0.160 -1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.119 0.839 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.108 3.511 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.581 3.296 -0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.963 3.918 -0.926 1.00 0.00 H new ATOM 143 N ILE A 13 -3.031 -0.253 -0.438 1.00 0.00 N ATOM 144 CA ILE A 13 -2.462 -1.591 -0.543 1.00 0.00 C ATOM 145 C ILE A 13 -2.315 -2.235 0.831 1.00 0.00 C ATOM 146 O ILE A 13 -2.911 -3.277 1.106 1.00 0.00 O ATOM 147 CB ILE A 13 -1.086 -1.564 -1.235 1.00 0.00 C ATOM 148 CG1 ILE A 13 -1.221 -1.036 -2.665 1.00 0.00 C ATOM 149 CG2 ILE A 13 -0.466 -2.953 -1.234 1.00 0.00 C ATOM 150 CD1 ILE A 13 -2.115 -1.885 -3.541 1.00 0.00 C ATOM 0 H ILE A 13 -2.429 0.491 -0.792 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.152 -2.181 -1.146 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.429 -0.894 -0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.616 -0.021 -2.633 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.231 -0.979 -3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.506 -2.918 -1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.340 -3.295 -0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.119 -3.643 -1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.164 -1.451 -4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.710 -2.895 -3.604 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.116 -1.922 -3.112 1.00 0.00 H new ATOM 162 N ARG A 14 -1.519 -1.608 1.691 1.00 0.00 N ATOM 163 CA ARG A 14 -1.294 -2.119 3.037 1.00 0.00 C ATOM 164 C ARG A 14 -2.611 -2.244 3.799 1.00 0.00 C ATOM 165 O ARG A 14 -2.850 -3.234 4.490 1.00 0.00 O ATOM 166 CB ARG A 14 -0.336 -1.203 3.801 1.00 0.00 C ATOM 167 CG ARG A 14 1.107 -1.308 3.335 1.00 0.00 C ATOM 168 CD ARG A 14 1.823 -2.475 3.997 1.00 0.00 C ATOM 169 NE ARG A 14 3.214 -2.581 3.565 1.00 0.00 N ATOM 170 CZ ARG A 14 4.204 -2.964 4.362 1.00 0.00 C ATOM 171 NH1 ARG A 14 3.958 -3.277 5.627 1.00 0.00 N ATOM 172 NH2 ARG A 14 5.444 -3.036 3.895 1.00 0.00 N ATOM 0 H ARG A 14 -1.019 -0.745 1.479 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.848 -3.110 2.952 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.670 -0.171 3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.385 -1.445 4.863 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.133 -1.431 2.252 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.633 -0.381 3.563 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.788 -2.354 5.080 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.299 -3.402 3.762 1.00 0.00 H new ATOM 0 HE ARG A 14 3.437 -2.348 2.597 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.006 -3.224 5.990 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.721 -3.571 6.237 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.637 -2.797 2.922 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.204 -3.330 4.509 1.00 0.00 H new ATOM 186 N LYS A 15 -3.462 -1.232 3.668 1.00 0.00 N ATOM 187 CA LYS A 15 -4.755 -1.227 4.342 1.00 0.00 C ATOM 188 C LYS A 15 -5.514 -2.522 4.071 1.00 0.00 C ATOM 189 O LYS A 15 -6.372 -2.925 4.857 1.00 0.00 O ATOM 190 CB LYS A 15 -5.588 -0.029 3.882 1.00 0.00 C ATOM 191 CG LYS A 15 -6.937 0.075 4.572 1.00 0.00 C ATOM 192 CD LYS A 15 -7.824 1.116 3.909 1.00 0.00 C ATOM 193 CE LYS A 15 -9.283 0.934 4.299 1.00 0.00 C ATOM 194 NZ LYS A 15 -9.498 1.143 5.757 1.00 0.00 N ATOM 0 H LYS A 15 -3.279 -0.404 3.101 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.578 -1.148 5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.025 0.886 4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.744 -0.098 2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.434 -0.895 4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.791 0.334 5.621 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.492 2.114 4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.724 1.044 2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.899 1.636 3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.610 -0.069 4.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.510 1.043 5.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.956 0.435 6.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.179 2.097 6.022 1.00 0.00 H new ATOM 208 N TYR A 16 -5.193 -3.169 2.957 1.00 0.00 N ATOM 209 CA TYR A 16 -5.846 -4.418 2.583 1.00 0.00 C ATOM 210 C TYR A 16 -4.897 -5.600 2.751 1.00 0.00 C ATOM 211 O TYR A 16 -5.330 -6.743 2.903 1.00 0.00 O ATOM 212 CB TYR A 16 -6.339 -4.347 1.137 1.00 0.00 C ATOM 213 CG TYR A 16 -7.376 -3.272 0.903 1.00 0.00 C ATOM 214 CD1 TYR A 16 -8.390 -3.045 1.825 1.00 0.00 C ATOM 215 CD2 TYR A 16 -7.342 -2.483 -0.241 1.00 0.00 C ATOM 216 CE1 TYR A 16 -9.341 -2.064 1.614 1.00 0.00 C ATOM 217 CE2 TYR A 16 -8.287 -1.499 -0.459 1.00 0.00 C ATOM 218 CZ TYR A 16 -9.284 -1.294 0.471 1.00 0.00 C ATOM 219 OH TYR A 16 -10.228 -0.315 0.259 1.00 0.00 O ATOM 0 H TYR A 16 -4.484 -2.849 2.297 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.700 -4.564 3.244 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.488 -4.168 0.480 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.760 -5.313 0.858 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.436 -3.645 2.722 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.563 -2.642 -0.972 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.124 -1.901 2.340 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.245 -0.894 -1.353 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.045 0.137 -0.591 1.00 0.00 H new ATOM 229 N THR A 17 -3.598 -5.317 2.724 1.00 0.00 N ATOM 230 CA THR A 17 -2.587 -6.355 2.873 1.00 0.00 C ATOM 231 C THR A 17 -1.684 -6.076 4.069 1.00 0.00 C ATOM 232 O THR A 17 -1.137 -4.982 4.203 1.00 0.00 O ATOM 233 CB THR A 17 -1.718 -6.479 1.607 1.00 0.00 C ATOM 234 OG1 THR A 17 -1.030 -5.247 1.363 1.00 0.00 O ATOM 235 CG2 THR A 17 -2.571 -6.837 0.399 1.00 0.00 C ATOM 0 H THR A 17 -3.222 -4.377 2.600 1.00 0.00 H new ATOM 0 HA THR A 17 -3.119 -7.293 3.033 1.00 0.00 H new ATOM 0 HB THR A 17 -0.991 -7.275 1.768 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.682 -4.537 1.186 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.936 -6.919 -0.483 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.071 -7.789 0.576 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.318 -6.059 0.238 1.00 0.00 H new ATOM 243 N GLU A 18 -1.533 -7.072 4.936 1.00 0.00 N ATOM 244 CA GLU A 18 -0.695 -6.932 6.122 1.00 0.00 C ATOM 245 C GLU A 18 0.659 -7.604 5.914 1.00 0.00 C ATOM 246 O GLU A 18 0.749 -8.828 5.830 1.00 0.00 O ATOM 247 CB GLU A 18 -1.395 -7.536 7.342 1.00 0.00 C ATOM 248 CG GLU A 18 -1.019 -6.865 8.652 1.00 0.00 C ATOM 249 CD GLU A 18 -1.301 -7.741 9.858 1.00 0.00 C ATOM 250 OE1 GLU A 18 -2.472 -8.132 10.046 1.00 0.00 O ATOM 251 OE2 GLU A 18 -0.351 -8.034 10.613 1.00 0.00 O ATOM 0 H GLU A 18 -1.979 -7.984 4.840 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.530 -5.869 6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.474 -7.465 7.204 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.150 -8.596 7.403 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.040 -6.608 8.634 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.572 -5.931 8.749 1.00 0.00 H new ATOM 258 N GLU A 19 1.709 -6.793 5.832 1.00 0.00 N ATOM 259 CA GLU A 19 3.058 -7.308 5.633 1.00 0.00 C ATOM 260 C GLU A 19 3.410 -8.340 6.702 1.00 0.00 C ATOM 261 O GLU A 19 3.281 -8.079 7.898 1.00 0.00 O ATOM 262 CB GLU A 19 4.074 -6.165 5.658 1.00 0.00 C ATOM 263 CG GLU A 19 5.519 -6.633 5.600 1.00 0.00 C ATOM 264 CD GLU A 19 6.474 -5.660 6.264 1.00 0.00 C ATOM 265 OE1 GLU A 19 6.692 -4.565 5.705 1.00 0.00 O ATOM 266 OE2 GLU A 19 7.005 -5.995 7.344 1.00 0.00 O ATOM 0 H GLU A 19 1.651 -5.777 5.900 1.00 0.00 H new ATOM 0 HA GLU A 19 3.093 -7.794 4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.882 -5.501 4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.927 -5.579 6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.602 -7.606 6.085 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.811 -6.770 4.559 1.00 0.00 H new ATOM 273 N LEU A 20 3.854 -9.512 6.261 1.00 0.00 N ATOM 274 CA LEU A 20 4.224 -10.584 7.178 1.00 0.00 C ATOM 275 C LEU A 20 5.700 -10.495 7.552 1.00 0.00 C ATOM 276 O LEU A 20 6.539 -10.122 6.732 1.00 0.00 O ATOM 277 CB LEU A 20 3.927 -11.946 6.549 1.00 0.00 C ATOM 278 CG LEU A 20 2.581 -12.076 5.835 1.00 0.00 C ATOM 279 CD1 LEU A 20 2.491 -13.406 5.104 1.00 0.00 C ATOM 280 CD2 LEU A 20 1.435 -11.931 6.826 1.00 0.00 C ATOM 0 H LEU A 20 3.966 -9.744 5.274 1.00 0.00 H new ATOM 0 HA LEU A 20 3.631 -10.473 8.086 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.718 -12.174 5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.975 -12.704 7.331 1.00 0.00 H new ATOM 0 HG LEU A 20 2.503 -11.275 5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.526 -13.481 4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.290 -13.470 4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.592 -14.222 5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.485 -12.026 6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.509 -12.710 7.585 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.489 -10.953 7.304 1.00 0.00 H new ATOM 292 N LYS A 21 6.012 -10.841 8.797 1.00 0.00 N ATOM 293 CA LYS A 21 7.387 -10.805 9.280 1.00 0.00 C ATOM 294 C LYS A 21 8.284 -11.705 8.437 1.00 0.00 C ATOM 295 O LYS A 21 9.497 -11.504 8.372 1.00 0.00 O ATOM 296 CB LYS A 21 7.445 -11.238 10.747 1.00 0.00 C ATOM 297 CG LYS A 21 8.859 -11.383 11.282 1.00 0.00 C ATOM 298 CD LYS A 21 9.523 -10.030 11.477 1.00 0.00 C ATOM 299 CE LYS A 21 9.068 -9.367 12.768 1.00 0.00 C ATOM 300 NZ LYS A 21 7.848 -8.536 12.564 1.00 0.00 N ATOM 0 H LYS A 21 5.330 -11.150 9.490 1.00 0.00 H new ATOM 0 HA LYS A 21 7.749 -9.780 9.195 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.909 -10.509 11.354 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.924 -12.189 10.857 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.837 -11.919 12.231 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.451 -11.983 10.591 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.606 -10.154 11.492 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.288 -9.383 10.632 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.865 -10.132 13.518 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.872 -8.743 13.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.952 -7.636 13.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.723 -8.346 11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.017 -9.045 12.926 1.00 0.00 H new ATOM 314 N VAL A 22 7.680 -12.698 7.791 1.00 0.00 N ATOM 315 CA VAL A 22 8.424 -13.627 6.950 1.00 0.00 C ATOM 316 C VAL A 22 7.571 -14.119 5.786 1.00 0.00 C ATOM 317 O VAL A 22 6.440 -14.563 5.977 1.00 0.00 O ATOM 318 CB VAL A 22 8.920 -14.842 7.758 1.00 0.00 C ATOM 319 CG1 VAL A 22 9.552 -15.874 6.837 1.00 0.00 C ATOM 320 CG2 VAL A 22 9.901 -14.401 8.833 1.00 0.00 C ATOM 0 H VAL A 22 6.677 -12.879 7.835 1.00 0.00 H new ATOM 0 HA VAL A 22 9.284 -13.082 6.561 1.00 0.00 H new ATOM 0 HB VAL A 22 8.064 -15.305 8.248 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.896 -16.724 7.425 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.815 -16.211 6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.399 -15.427 6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.241 -15.271 9.394 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.757 -13.913 8.367 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.409 -13.702 9.510 1.00 0.00 H new ATOM 330 N ALA A 23 8.122 -14.036 4.580 1.00 0.00 N ATOM 331 CA ALA A 23 7.413 -14.474 3.384 1.00 0.00 C ATOM 332 C ALA A 23 6.948 -15.920 3.521 1.00 0.00 C ATOM 333 O ALA A 23 7.712 -16.810 3.897 1.00 0.00 O ATOM 334 CB ALA A 23 8.299 -14.317 2.157 1.00 0.00 C ATOM 0 H ALA A 23 9.058 -13.669 4.405 1.00 0.00 H new ATOM 0 HA ALA A 23 6.531 -13.845 3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.756 -14.648 1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.578 -13.270 2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.198 -14.921 2.278 1.00 0.00 H new ATOM 340 N PRO A 24 5.666 -16.163 3.210 1.00 0.00 N ATOM 341 CA PRO A 24 5.071 -17.500 3.291 1.00 0.00 C ATOM 342 C PRO A 24 5.611 -18.440 2.219 1.00 0.00 C ATOM 343 O PRO A 24 6.566 -18.112 1.516 1.00 0.00 O ATOM 344 CB PRO A 24 3.579 -17.238 3.071 1.00 0.00 C ATOM 345 CG PRO A 24 3.528 -15.971 2.290 1.00 0.00 C ATOM 346 CD PRO A 24 4.699 -15.150 2.755 1.00 0.00 C ATOM 0 HA PRO A 24 5.296 -17.990 4.238 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.109 -18.057 2.527 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.050 -17.140 4.019 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.591 -16.169 1.220 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.589 -15.444 2.462 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.106 -14.539 1.950 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.419 -14.471 3.560 1.00 0.00 H new ATOM 354 N GLU A 25 4.992 -19.611 2.100 1.00 0.00 N ATOM 355 CA GLU A 25 5.412 -20.599 1.113 1.00 0.00 C ATOM 356 C GLU A 25 4.525 -20.540 -0.128 1.00 0.00 C ATOM 357 O GLU A 25 4.327 -21.545 -0.809 1.00 0.00 O ATOM 358 CB GLU A 25 5.371 -22.004 1.716 1.00 0.00 C ATOM 359 CG GLU A 25 3.977 -22.453 2.120 1.00 0.00 C ATOM 360 CD GLU A 25 3.997 -23.615 3.093 1.00 0.00 C ATOM 361 OE1 GLU A 25 4.675 -24.622 2.799 1.00 0.00 O ATOM 362 OE2 GLU A 25 3.335 -23.519 4.148 1.00 0.00 O ATOM 0 H GLU A 25 4.199 -19.898 2.674 1.00 0.00 H new ATOM 0 HA GLU A 25 6.436 -20.368 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.776 -22.712 0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.021 -22.034 2.591 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.446 -21.615 2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.419 -22.740 1.229 1.00 0.00 H new ATOM 369 N GLU A 26 3.995 -19.354 -0.413 1.00 0.00 N ATOM 370 CA GLU A 26 3.128 -19.164 -1.570 1.00 0.00 C ATOM 371 C GLU A 26 3.920 -18.633 -2.762 1.00 0.00 C ATOM 372 O GLU A 26 5.122 -18.386 -2.661 1.00 0.00 O ATOM 373 CB GLU A 26 1.990 -18.200 -1.230 1.00 0.00 C ATOM 374 CG GLU A 26 0.737 -18.420 -2.061 1.00 0.00 C ATOM 375 CD GLU A 26 -0.527 -18.011 -1.331 1.00 0.00 C ATOM 376 OE1 GLU A 26 -0.885 -16.815 -1.389 1.00 0.00 O ATOM 377 OE2 GLU A 26 -1.158 -18.885 -0.701 1.00 0.00 O ATOM 0 H GLU A 26 4.151 -18.512 0.141 1.00 0.00 H new ATOM 0 HA GLU A 26 2.706 -20.133 -1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.739 -18.305 -0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.337 -17.177 -1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.816 -17.852 -2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.669 -19.472 -2.336 1.00 0.00 H new ATOM 384 N ASP A 27 3.238 -18.462 -3.888 1.00 0.00 N ATOM 385 CA ASP A 27 3.876 -17.960 -5.100 1.00 0.00 C ATOM 386 C ASP A 27 3.040 -16.854 -5.736 1.00 0.00 C ATOM 387 O ASP A 27 1.817 -16.962 -5.831 1.00 0.00 O ATOM 388 CB ASP A 27 4.086 -19.098 -6.100 1.00 0.00 C ATOM 389 CG ASP A 27 4.317 -20.432 -5.419 1.00 0.00 C ATOM 390 OD1 ASP A 27 4.935 -20.446 -4.333 1.00 0.00 O ATOM 391 OD2 ASP A 27 3.880 -21.463 -5.971 1.00 0.00 O ATOM 0 H ASP A 27 2.243 -18.663 -3.988 1.00 0.00 H new ATOM 0 HA ASP A 27 4.846 -17.545 -4.826 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.214 -19.172 -6.750 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.940 -18.866 -6.736 1.00 0.00 H new ATOM 396 N CYS A 28 3.708 -15.790 -6.171 1.00 0.00 N ATOM 397 CA CYS A 28 3.028 -14.663 -6.797 1.00 0.00 C ATOM 398 C CYS A 28 2.729 -14.955 -8.265 1.00 0.00 C ATOM 399 O CYS A 28 3.609 -15.374 -9.016 1.00 0.00 O ATOM 400 CB CYS A 28 3.880 -13.398 -6.681 1.00 0.00 C ATOM 401 SG CYS A 28 3.206 -11.963 -7.578 1.00 0.00 S ATOM 0 H CYS A 28 4.720 -15.685 -6.101 1.00 0.00 H new ATOM 0 HA CYS A 28 2.083 -14.506 -6.276 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.984 -13.138 -5.628 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.881 -13.611 -7.057 1.00 0.00 H new ATOM 0 HG CYS A 28 2.976 -10.996 -6.740 1.00 0.00 H new ATOM 406 N ILE A 29 1.481 -14.731 -8.664 1.00 0.00 N ATOM 407 CA ILE A 29 1.067 -14.969 -10.041 1.00 0.00 C ATOM 408 C ILE A 29 1.155 -13.692 -10.870 1.00 0.00 C ATOM 409 O ILE A 29 1.208 -13.741 -12.100 1.00 0.00 O ATOM 410 CB ILE A 29 -0.372 -15.513 -10.110 1.00 0.00 C ATOM 411 CG1 ILE A 29 -1.356 -14.491 -9.537 1.00 0.00 C ATOM 412 CG2 ILE A 29 -0.476 -16.833 -9.360 1.00 0.00 C ATOM 413 CD1 ILE A 29 -2.742 -14.585 -10.134 1.00 0.00 C ATOM 0 H ILE A 29 0.740 -14.386 -8.054 1.00 0.00 H new ATOM 0 HA ILE A 29 1.749 -15.714 -10.451 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.627 -15.689 -11.155 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.424 -14.630 -8.458 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.964 -13.488 -9.705 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.499 -17.205 -9.418 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.200 -17.561 -9.809 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.204 -16.680 -8.316 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.385 -13.831 -9.681 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.687 -14.416 -11.209 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.154 -15.576 -9.943 1.00 0.00 H new ATOM 425 N ILE A 30 1.173 -12.551 -10.190 1.00 0.00 N ATOM 426 CA ILE A 30 1.259 -11.262 -10.863 1.00 0.00 C ATOM 427 C ILE A 30 2.567 -11.131 -11.636 1.00 0.00 C ATOM 428 O ILE A 30 2.596 -10.592 -12.743 1.00 0.00 O ATOM 429 CB ILE A 30 1.148 -10.096 -9.863 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.207 -10.130 -9.154 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.346 -8.766 -10.576 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.330 -9.120 -8.035 1.00 0.00 C ATOM 0 H ILE A 30 1.129 -12.493 -9.173 1.00 0.00 H new ATOM 0 HA ILE A 30 0.422 -11.214 -11.559 1.00 0.00 H new ATOM 0 HB ILE A 30 1.932 -10.204 -9.113 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.995 -9.948 -9.885 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.372 -11.129 -8.750 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.265 -7.952 -9.856 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.333 -8.744 -11.038 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.582 -8.648 -11.345 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.316 -9.202 -7.578 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.435 -9.314 -7.284 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.198 -8.115 -8.436 1.00 0.00 H new ATOM 444 N CYS A 31 3.648 -11.630 -11.047 1.00 0.00 N ATOM 445 CA CYS A 31 4.960 -11.571 -11.680 1.00 0.00 C ATOM 446 C CYS A 31 5.512 -12.973 -11.921 1.00 0.00 C ATOM 447 O CYS A 31 6.524 -13.145 -12.599 1.00 0.00 O ATOM 448 CB CYS A 31 5.933 -10.771 -10.811 1.00 0.00 C ATOM 449 SG CYS A 31 6.334 -11.564 -9.221 1.00 0.00 S ATOM 0 H CYS A 31 3.641 -12.080 -10.132 1.00 0.00 H new ATOM 0 HA CYS A 31 4.849 -11.073 -12.643 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.856 -10.613 -11.369 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.505 -9.787 -10.617 1.00 0.00 H new ATOM 0 HG CYS A 31 5.239 -11.770 -8.551 1.00 0.00 H new ATOM 454 N MET A 32 4.837 -13.972 -11.361 1.00 0.00 N ATOM 455 CA MET A 32 5.258 -15.360 -11.516 1.00 0.00 C ATOM 456 C MET A 32 6.646 -15.577 -10.922 1.00 0.00 C ATOM 457 O MET A 32 7.482 -16.261 -11.509 1.00 0.00 O ATOM 458 CB MET A 32 5.257 -15.753 -12.995 1.00 0.00 C ATOM 459 CG MET A 32 3.892 -15.638 -13.653 1.00 0.00 C ATOM 460 SD MET A 32 2.719 -16.861 -13.038 1.00 0.00 S ATOM 461 CE MET A 32 2.737 -18.051 -14.377 1.00 0.00 C ATOM 0 H MET A 32 3.997 -13.846 -10.796 1.00 0.00 H new ATOM 0 HA MET A 32 4.550 -15.991 -10.979 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.964 -15.120 -13.531 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.612 -16.779 -13.090 1.00 0.00 H new ATOM 0 HG2 MET A 32 3.493 -14.639 -13.480 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.002 -15.756 -14.731 1.00 0.00 H new ATOM 0 HE1 MET A 32 2.058 -18.871 -14.144 1.00 0.00 H new ATOM 0 HE2 MET A 32 2.417 -17.566 -15.299 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.747 -18.441 -14.504 1.00 0.00 H new ATOM 471 N GLU A 33 6.883 -14.988 -9.753 1.00 0.00 N ATOM 472 CA GLU A 33 8.171 -15.117 -9.081 1.00 0.00 C ATOM 473 C GLU A 33 7.982 -15.447 -7.603 1.00 0.00 C ATOM 474 O GLU A 33 7.139 -14.858 -6.926 1.00 0.00 O ATOM 475 CB GLU A 33 8.979 -13.826 -9.228 1.00 0.00 C ATOM 476 CG GLU A 33 9.246 -13.436 -10.672 1.00 0.00 C ATOM 477 CD GLU A 33 10.324 -14.286 -11.316 1.00 0.00 C ATOM 478 OE1 GLU A 33 11.181 -14.817 -10.580 1.00 0.00 O ATOM 479 OE2 GLU A 33 10.310 -14.419 -12.558 1.00 0.00 O ATOM 0 H GLU A 33 6.201 -14.418 -9.253 1.00 0.00 H new ATOM 0 HA GLU A 33 8.718 -15.934 -9.551 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.444 -13.015 -8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.931 -13.942 -8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.324 -13.529 -11.246 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.542 -12.388 -10.713 1.00 0.00 H new ATOM 486 N LYS A 34 8.773 -16.393 -7.109 1.00 0.00 N ATOM 487 CA LYS A 34 8.696 -16.802 -5.711 1.00 0.00 C ATOM 488 C LYS A 34 8.728 -15.589 -4.786 1.00 0.00 C ATOM 489 O LYS A 34 9.601 -14.728 -4.906 1.00 0.00 O ATOM 490 CB LYS A 34 9.850 -17.747 -5.371 1.00 0.00 C ATOM 491 CG LYS A 34 9.542 -19.208 -5.650 1.00 0.00 C ATOM 492 CD LYS A 34 9.926 -19.598 -7.068 1.00 0.00 C ATOM 493 CE LYS A 34 11.360 -20.102 -7.138 1.00 0.00 C ATOM 494 NZ LYS A 34 11.789 -20.359 -8.541 1.00 0.00 N ATOM 0 H LYS A 34 9.475 -16.891 -7.656 1.00 0.00 H new ATOM 0 HA LYS A 34 7.751 -17.324 -5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.730 -17.454 -5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.104 -17.633 -4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.080 -19.836 -4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.479 -19.392 -5.496 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.249 -20.372 -7.430 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.809 -18.738 -7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.026 -19.368 -6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.452 -21.019 -6.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.771 -20.701 -8.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.170 -21.078 -8.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.726 -19.478 -9.090 1.00 0.00 H new ATOM 508 N LEU A 35 7.774 -15.529 -3.864 1.00 0.00 N ATOM 509 CA LEU A 35 7.695 -14.422 -2.917 1.00 0.00 C ATOM 510 C LEU A 35 9.052 -14.157 -2.274 1.00 0.00 C ATOM 511 O LEU A 35 9.344 -13.037 -1.856 1.00 0.00 O ATOM 512 CB LEU A 35 6.656 -14.724 -1.836 1.00 0.00 C ATOM 513 CG LEU A 35 5.217 -14.908 -2.320 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.381 -15.603 -1.257 1.00 0.00 C ATOM 515 CD2 LEU A 35 4.603 -13.565 -2.690 1.00 0.00 C ATOM 0 H LEU A 35 7.045 -16.233 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 35 7.393 -13.529 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.960 -15.630 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.672 -13.913 -1.108 1.00 0.00 H new ATOM 0 HG LEU A 35 5.231 -15.537 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.360 -15.725 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.809 -16.582 -1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.374 -15.001 -0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.579 -13.715 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.602 -12.913 -1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.188 -13.105 -3.486 1.00 0.00 H new ATOM 527 N ALA A 36 9.879 -15.194 -2.201 1.00 0.00 N ATOM 528 CA ALA A 36 11.208 -15.072 -1.614 1.00 0.00 C ATOM 529 C ALA A 36 12.063 -14.077 -2.391 1.00 0.00 C ATOM 530 O ALA A 36 12.786 -13.273 -1.804 1.00 0.00 O ATOM 531 CB ALA A 36 11.890 -16.432 -1.564 1.00 0.00 C ATOM 0 H ALA A 36 9.652 -16.129 -2.541 1.00 0.00 H new ATOM 0 HA ALA A 36 11.096 -14.697 -0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.881 -16.326 -1.123 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.295 -17.115 -0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.983 -16.830 -2.575 1.00 0.00 H new ATOM 537 N VAL A 37 11.976 -14.138 -3.716 1.00 0.00 N ATOM 538 CA VAL A 37 12.742 -13.242 -4.574 1.00 0.00 C ATOM 539 C VAL A 37 12.063 -11.882 -4.693 1.00 0.00 C ATOM 540 O VAL A 37 10.957 -11.683 -4.192 1.00 0.00 O ATOM 541 CB VAL A 37 12.926 -13.836 -5.983 1.00 0.00 C ATOM 542 CG1 VAL A 37 13.703 -15.142 -5.915 1.00 0.00 C ATOM 543 CG2 VAL A 37 11.577 -14.044 -6.655 1.00 0.00 C ATOM 0 H VAL A 37 11.383 -14.798 -4.218 1.00 0.00 H new ATOM 0 HA VAL A 37 13.720 -13.118 -4.109 1.00 0.00 H new ATOM 0 HB VAL A 37 13.500 -13.130 -6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.823 -15.547 -6.920 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.685 -14.959 -5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.159 -15.857 -5.298 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.727 -14.464 -7.649 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.975 -14.729 -6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.061 -13.087 -6.739 1.00 0.00 H new ATOM 553 N ALA A 38 12.734 -10.949 -5.361 1.00 0.00 N ATOM 554 CA ALA A 38 12.195 -9.608 -5.548 1.00 0.00 C ATOM 555 C ALA A 38 11.035 -9.616 -6.538 1.00 0.00 C ATOM 556 O ALA A 38 10.886 -10.548 -7.327 1.00 0.00 O ATOM 557 CB ALA A 38 13.288 -8.661 -6.020 1.00 0.00 C ATOM 0 H ALA A 38 13.651 -11.098 -5.781 1.00 0.00 H new ATOM 0 HA ALA A 38 11.816 -9.258 -4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.871 -7.663 -6.156 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.084 -8.624 -5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.693 -9.017 -6.967 1.00 0.00 H new ATOM 563 N SER A 39 10.215 -8.570 -6.490 1.00 0.00 N ATOM 564 CA SER A 39 9.065 -8.459 -7.380 1.00 0.00 C ATOM 565 C SER A 39 9.512 -8.205 -8.816 1.00 0.00 C ATOM 566 O SER A 39 10.582 -7.645 -9.055 1.00 0.00 O ATOM 567 CB SER A 39 8.140 -7.334 -6.915 1.00 0.00 C ATOM 568 OG SER A 39 7.206 -6.991 -7.924 1.00 0.00 O ATOM 0 H SER A 39 10.326 -7.788 -5.845 1.00 0.00 H new ATOM 0 HA SER A 39 8.521 -9.403 -7.349 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.610 -7.644 -6.015 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.732 -6.458 -6.651 1.00 0.00 H new ATOM 0 HG SER A 39 6.314 -7.304 -7.664 1.00 0.00 H new ATOM 574 N GLY A 40 8.684 -8.620 -9.770 1.00 0.00 N ATOM 575 CA GLY A 40 9.011 -8.428 -11.171 1.00 0.00 C ATOM 576 C GLY A 40 8.790 -7.000 -11.628 1.00 0.00 C ATOM 577 O GLY A 40 9.350 -6.570 -12.637 1.00 0.00 O ATOM 0 H GLY A 40 7.793 -9.086 -9.598 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.052 -8.703 -11.339 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.403 -9.099 -11.778 1.00 0.00 H new ATOM 581 N TYR A 41 7.972 -6.263 -10.885 1.00 0.00 N ATOM 582 CA TYR A 41 7.676 -4.876 -11.222 1.00 0.00 C ATOM 583 C TYR A 41 8.665 -3.928 -10.550 1.00 0.00 C ATOM 584 O TYR A 41 8.583 -2.711 -10.710 1.00 0.00 O ATOM 585 CB TYR A 41 6.248 -4.521 -10.803 1.00 0.00 C ATOM 586 CG TYR A 41 5.186 -5.185 -11.649 1.00 0.00 C ATOM 587 CD1 TYR A 41 4.990 -6.560 -11.602 1.00 0.00 C ATOM 588 CD2 TYR A 41 4.376 -4.437 -12.496 1.00 0.00 C ATOM 589 CE1 TYR A 41 4.022 -7.171 -12.374 1.00 0.00 C ATOM 590 CE2 TYR A 41 3.404 -5.040 -13.270 1.00 0.00 C ATOM 591 CZ TYR A 41 3.231 -6.407 -13.207 1.00 0.00 C ATOM 592 OH TYR A 41 2.263 -7.011 -13.976 1.00 0.00 O ATOM 0 H TYR A 41 7.502 -6.603 -10.046 1.00 0.00 H new ATOM 0 HA TYR A 41 7.770 -4.764 -12.302 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.102 -4.807 -9.761 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.121 -3.440 -10.857 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.606 -7.161 -10.950 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.509 -3.367 -12.550 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.885 -8.241 -12.326 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.782 -4.444 -13.922 1.00 0.00 H new ATOM 0 HH TYR A 41 1.794 -6.332 -14.505 1.00 0.00 H new ATOM 602 N SER A 42 9.601 -4.498 -9.798 1.00 0.00 N ATOM 603 CA SER A 42 10.606 -3.705 -9.098 1.00 0.00 C ATOM 604 C SER A 42 11.030 -2.503 -9.936 1.00 0.00 C ATOM 605 O SER A 42 11.404 -1.460 -9.401 1.00 0.00 O ATOM 606 CB SER A 42 11.826 -4.567 -8.767 1.00 0.00 C ATOM 607 OG SER A 42 12.867 -3.784 -8.211 1.00 0.00 O ATOM 0 H SER A 42 9.685 -5.505 -9.658 1.00 0.00 H new ATOM 0 HA SER A 42 10.165 -3.341 -8.170 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.542 -5.351 -8.065 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.182 -5.062 -9.671 1.00 0.00 H new ATOM 0 HG SER A 42 13.635 -4.358 -8.007 1.00 0.00 H new ATOM 613 N ASP A 43 10.969 -2.658 -11.254 1.00 0.00 N ATOM 614 CA ASP A 43 11.346 -1.586 -12.168 1.00 0.00 C ATOM 615 C ASP A 43 10.137 -0.727 -12.526 1.00 0.00 C ATOM 616 O ASP A 43 10.183 0.498 -12.424 1.00 0.00 O ATOM 617 CB ASP A 43 11.969 -2.166 -13.439 1.00 0.00 C ATOM 618 CG ASP A 43 12.417 -1.090 -14.408 1.00 0.00 C ATOM 619 OD1 ASP A 43 12.963 -0.066 -13.945 1.00 0.00 O ATOM 620 OD2 ASP A 43 12.221 -1.270 -15.628 1.00 0.00 O ATOM 0 H ASP A 43 10.662 -3.515 -11.713 1.00 0.00 H new ATOM 0 HA ASP A 43 12.081 -0.956 -11.667 1.00 0.00 H new ATOM 0 HB2 ASP A 43 12.823 -2.787 -13.170 1.00 0.00 H new ATOM 0 HB3 ASP A 43 11.245 -2.815 -13.931 1.00 0.00 H new ATOM 625 N MET A 44 9.058 -1.379 -12.946 1.00 0.00 N ATOM 626 CA MET A 44 7.837 -0.674 -13.319 1.00 0.00 C ATOM 627 C MET A 44 7.412 0.296 -12.221 1.00 0.00 C ATOM 628 O MET A 44 6.912 1.386 -12.500 1.00 0.00 O ATOM 629 CB MET A 44 6.711 -1.672 -13.596 1.00 0.00 C ATOM 630 CG MET A 44 5.562 -1.084 -14.399 1.00 0.00 C ATOM 631 SD MET A 44 4.403 -0.156 -13.376 1.00 0.00 S ATOM 632 CE MET A 44 2.864 -0.983 -13.773 1.00 0.00 C ATOM 0 H MET A 44 9.004 -2.394 -13.037 1.00 0.00 H new ATOM 0 HA MET A 44 8.039 -0.104 -14.226 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.119 -2.528 -14.134 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.326 -2.046 -12.647 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.962 -0.429 -15.173 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.029 -1.888 -14.906 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.027 -0.398 -13.391 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.773 -1.083 -14.855 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.854 -1.972 -13.315 1.00 0.00 H new ATOM 642 N THR A 45 7.615 -0.107 -10.970 1.00 0.00 N ATOM 643 CA THR A 45 7.252 0.726 -9.830 1.00 0.00 C ATOM 644 C THR A 45 8.474 1.058 -8.981 1.00 0.00 C ATOM 645 O THR A 45 9.422 0.276 -8.908 1.00 0.00 O ATOM 646 CB THR A 45 6.197 0.038 -8.945 1.00 0.00 C ATOM 647 OG1 THR A 45 5.887 0.866 -7.818 1.00 0.00 O ATOM 648 CG2 THR A 45 6.694 -1.317 -8.464 1.00 0.00 C ATOM 0 H THR A 45 8.029 -1.005 -10.721 1.00 0.00 H new ATOM 0 HA THR A 45 6.832 1.648 -10.233 1.00 0.00 H new ATOM 0 HB THR A 45 5.298 -0.114 -9.542 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.630 0.302 -7.059 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.931 -1.784 -7.841 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.901 -1.955 -9.323 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.607 -1.184 -7.883 1.00 0.00 H new ATOM 656 N ASP A 46 8.444 2.221 -8.339 1.00 0.00 N ATOM 657 CA ASP A 46 9.549 2.655 -7.493 1.00 0.00 C ATOM 658 C ASP A 46 9.039 3.137 -6.138 1.00 0.00 C ATOM 659 O ASP A 46 9.629 4.024 -5.521 1.00 0.00 O ATOM 660 CB ASP A 46 10.339 3.771 -8.180 1.00 0.00 C ATOM 661 CG ASP A 46 9.813 5.150 -7.835 1.00 0.00 C ATOM 662 OD1 ASP A 46 8.614 5.262 -7.503 1.00 0.00 O ATOM 663 OD2 ASP A 46 10.600 6.118 -7.897 1.00 0.00 O ATOM 0 H ASP A 46 7.667 2.880 -8.389 1.00 0.00 H new ATOM 0 HA ASP A 46 10.207 1.801 -7.332 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.387 3.702 -7.889 1.00 0.00 H new ATOM 0 HB3 ASP A 46 10.298 3.629 -9.260 1.00 0.00 H new ATOM 668 N SER A 47 7.938 2.548 -5.682 1.00 0.00 N ATOM 669 CA SER A 47 7.345 2.920 -4.403 1.00 0.00 C ATOM 670 C SER A 47 8.427 3.231 -3.373 1.00 0.00 C ATOM 671 O SER A 47 9.480 2.593 -3.349 1.00 0.00 O ATOM 672 CB SER A 47 6.443 1.797 -3.889 1.00 0.00 C ATOM 673 OG SER A 47 5.456 2.299 -3.004 1.00 0.00 O ATOM 0 H SER A 47 7.439 1.811 -6.180 1.00 0.00 H new ATOM 0 HA SER A 47 6.745 3.817 -4.556 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.962 1.299 -4.731 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.046 1.047 -3.378 1.00 0.00 H new ATOM 0 HG SER A 47 4.657 2.549 -3.513 1.00 0.00 H new ATOM 679 N LYS A 48 8.160 4.216 -2.523 1.00 0.00 N ATOM 680 CA LYS A 48 9.108 4.613 -1.489 1.00 0.00 C ATOM 681 C LYS A 48 8.942 3.754 -0.240 1.00 0.00 C ATOM 682 O LYS A 48 9.897 3.140 0.234 1.00 0.00 O ATOM 683 CB LYS A 48 8.918 6.090 -1.133 1.00 0.00 C ATOM 684 CG LYS A 48 9.987 6.634 -0.202 1.00 0.00 C ATOM 685 CD LYS A 48 9.731 6.224 1.239 1.00 0.00 C ATOM 686 CE LYS A 48 10.588 7.025 2.207 1.00 0.00 C ATOM 687 NZ LYS A 48 9.942 8.312 2.585 1.00 0.00 N ATOM 0 H LYS A 48 7.294 4.755 -2.530 1.00 0.00 H new ATOM 0 HA LYS A 48 10.115 4.466 -1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.914 6.678 -2.051 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.942 6.220 -0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.965 6.270 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.014 7.721 -0.273 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.678 6.369 1.478 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.941 5.161 1.359 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.772 6.434 3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.558 7.225 1.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.557 8.828 3.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.789 8.887 1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.027 8.120 3.042 1.00 0.00 H new ATOM 701 N ALA A 49 7.722 3.713 0.288 1.00 0.00 N ATOM 702 CA ALA A 49 7.431 2.926 1.479 1.00 0.00 C ATOM 703 C ALA A 49 7.478 1.432 1.175 1.00 0.00 C ATOM 704 O ALA A 49 8.121 0.662 1.890 1.00 0.00 O ATOM 705 CB ALA A 49 6.072 3.309 2.046 1.00 0.00 C ATOM 0 H ALA A 49 6.920 4.216 -0.091 1.00 0.00 H new ATOM 0 HA ALA A 49 8.197 3.143 2.224 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.868 2.713 2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.073 4.367 2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.300 3.122 1.299 1.00 0.00 H new ATOM 711 N LEU A 50 6.793 1.028 0.111 1.00 0.00 N ATOM 712 CA LEU A 50 6.755 -0.375 -0.287 1.00 0.00 C ATOM 713 C LEU A 50 8.071 -0.791 -0.938 1.00 0.00 C ATOM 714 O LEU A 50 8.896 0.052 -1.289 1.00 0.00 O ATOM 715 CB LEU A 50 5.595 -0.620 -1.254 1.00 0.00 C ATOM 716 CG LEU A 50 4.194 -0.359 -0.700 1.00 0.00 C ATOM 717 CD1 LEU A 50 3.182 -0.263 -1.831 1.00 0.00 C ATOM 718 CD2 LEU A 50 3.796 -1.451 0.282 1.00 0.00 C ATOM 0 H LEU A 50 6.256 1.652 -0.492 1.00 0.00 H new ATOM 0 HA LEU A 50 6.607 -0.978 0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.740 0.010 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.643 -1.655 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 50 4.206 0.593 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.191 -0.077 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.457 0.555 -2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.172 -1.198 -2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.796 -1.248 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.801 -2.416 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.505 -1.472 1.110 1.00 0.00 H new ATOM 730 N GLY A 51 8.258 -2.098 -1.098 1.00 0.00 N ATOM 731 CA GLY A 51 9.474 -2.603 -1.709 1.00 0.00 C ATOM 732 C GLY A 51 9.241 -3.877 -2.495 1.00 0.00 C ATOM 733 O GLY A 51 8.239 -4.569 -2.315 1.00 0.00 O ATOM 0 H GLY A 51 7.590 -2.815 -0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.888 -1.842 -2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.217 -2.789 -0.933 1.00 0.00 H new ATOM 737 N PRO A 52 10.183 -4.204 -3.393 1.00 0.00 N ATOM 738 CA PRO A 52 10.098 -5.405 -4.229 1.00 0.00 C ATOM 739 C PRO A 52 10.283 -6.686 -3.424 1.00 0.00 C ATOM 740 O PRO A 52 9.727 -7.730 -3.765 1.00 0.00 O ATOM 741 CB PRO A 52 11.248 -5.227 -5.224 1.00 0.00 C ATOM 742 CG PRO A 52 12.223 -4.347 -4.522 1.00 0.00 C ATOM 743 CD PRO A 52 11.404 -3.425 -3.661 1.00 0.00 C ATOM 0 HA PRO A 52 9.120 -5.505 -4.700 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.697 -6.185 -5.486 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.902 -4.773 -6.152 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.914 -4.935 -3.917 1.00 0.00 H new ATOM 0 HG3 PRO A 52 12.824 -3.783 -5.236 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.926 -3.166 -2.740 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.180 -2.490 -4.174 1.00 0.00 H new ATOM 751 N MET A 53 11.066 -6.599 -2.354 1.00 0.00 N ATOM 752 CA MET A 53 11.323 -7.753 -1.499 1.00 0.00 C ATOM 753 C MET A 53 10.248 -7.883 -0.425 1.00 0.00 C ATOM 754 O MET A 53 10.094 -8.939 0.189 1.00 0.00 O ATOM 755 CB MET A 53 12.701 -7.634 -0.846 1.00 0.00 C ATOM 756 CG MET A 53 13.826 -8.208 -1.693 1.00 0.00 C ATOM 757 SD MET A 53 14.079 -9.971 -1.408 1.00 0.00 S ATOM 758 CE MET A 53 14.977 -10.427 -2.889 1.00 0.00 C ATOM 0 H MET A 53 11.534 -5.742 -2.058 1.00 0.00 H new ATOM 0 HA MET A 53 11.300 -8.648 -2.121 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.909 -6.583 -0.644 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.684 -8.146 0.116 1.00 0.00 H new ATOM 0 HG2 MET A 53 13.603 -8.043 -2.747 1.00 0.00 H new ATOM 0 HG3 MET A 53 14.750 -7.672 -1.475 1.00 0.00 H new ATOM 0 HE1 MET A 53 14.423 -11.195 -3.428 1.00 0.00 H new ATOM 0 HE2 MET A 53 15.096 -9.551 -3.526 1.00 0.00 H new ATOM 0 HE3 MET A 53 15.959 -10.813 -2.615 1.00 0.00 H new ATOM 768 N VAL A 54 9.505 -6.803 -0.203 1.00 0.00 N ATOM 769 CA VAL A 54 8.444 -6.797 0.797 1.00 0.00 C ATOM 770 C VAL A 54 7.278 -7.679 0.366 1.00 0.00 C ATOM 771 O VAL A 54 6.889 -7.686 -0.802 1.00 0.00 O ATOM 772 CB VAL A 54 7.925 -5.370 1.056 1.00 0.00 C ATOM 773 CG1 VAL A 54 6.960 -5.358 2.232 1.00 0.00 C ATOM 774 CG2 VAL A 54 9.086 -4.417 1.299 1.00 0.00 C ATOM 0 H VAL A 54 9.619 -5.921 -0.702 1.00 0.00 H new ATOM 0 HA VAL A 54 8.874 -7.192 1.717 1.00 0.00 H new ATOM 0 HB VAL A 54 7.386 -5.032 0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.604 -4.342 2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.113 -6.008 2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.471 -5.716 3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.701 -3.413 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.654 -4.750 2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.735 -4.404 0.424 1.00 0.00 H new ATOM 784 N VAL A 55 6.724 -8.424 1.317 1.00 0.00 N ATOM 785 CA VAL A 55 5.601 -9.310 1.037 1.00 0.00 C ATOM 786 C VAL A 55 4.542 -9.218 2.130 1.00 0.00 C ATOM 787 O VAL A 55 4.854 -8.961 3.291 1.00 0.00 O ATOM 788 CB VAL A 55 6.060 -10.775 0.905 1.00 0.00 C ATOM 789 CG1 VAL A 55 4.903 -11.660 0.469 1.00 0.00 C ATOM 790 CG2 VAL A 55 7.222 -10.882 -0.071 1.00 0.00 C ATOM 0 H VAL A 55 7.035 -8.431 2.288 1.00 0.00 H new ATOM 0 HA VAL A 55 5.171 -8.985 0.090 1.00 0.00 H new ATOM 0 HB VAL A 55 6.402 -11.121 1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.246 -12.691 0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.104 -11.605 1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.528 -11.319 -0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.534 -11.923 -0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.909 -10.519 -1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.056 -10.280 0.289 1.00 0.00 H new ATOM 800 N GLY A 56 3.285 -9.430 1.749 1.00 0.00 N ATOM 801 CA GLY A 56 2.199 -9.367 2.708 1.00 0.00 C ATOM 802 C GLY A 56 1.010 -10.212 2.295 1.00 0.00 C ATOM 803 O GLY A 56 0.924 -10.657 1.150 1.00 0.00 O ATOM 0 H GLY A 56 3.001 -9.644 0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.558 -9.702 3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.881 -8.331 2.825 1.00 0.00 H new ATOM 807 N ARG A 57 0.092 -10.437 3.229 1.00 0.00 N ATOM 808 CA ARG A 57 -1.095 -11.237 2.957 1.00 0.00 C ATOM 809 C ARG A 57 -2.364 -10.414 3.157 1.00 0.00 C ATOM 810 O ARG A 57 -2.515 -9.720 4.164 1.00 0.00 O ATOM 811 CB ARG A 57 -1.125 -12.469 3.864 1.00 0.00 C ATOM 812 CG ARG A 57 -0.432 -13.682 3.266 1.00 0.00 C ATOM 813 CD ARG A 57 -0.793 -14.955 4.015 1.00 0.00 C ATOM 814 NE ARG A 57 -0.163 -16.134 3.426 1.00 0.00 N ATOM 815 CZ ARG A 57 -0.388 -17.374 3.846 1.00 0.00 C ATOM 816 NH1 ARG A 57 -1.224 -17.596 4.851 1.00 0.00 N ATOM 817 NH2 ARG A 57 0.223 -18.395 3.259 1.00 0.00 N ATOM 0 H ARG A 57 0.148 -10.076 4.181 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.053 -11.561 1.917 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.651 -12.222 4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.162 -12.724 4.082 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.713 -13.783 2.218 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.648 -13.536 3.294 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.486 -14.862 5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.875 -15.083 4.012 1.00 0.00 H new ATOM 0 HE ARG A 57 0.485 -15.998 2.650 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.696 -16.814 5.304 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.395 -18.549 5.171 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.866 -18.228 2.485 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.050 -19.347 3.582 1.00 0.00 H new ATOM 831 N LEU A 58 -3.274 -10.493 2.192 1.00 0.00 N ATOM 832 CA LEU A 58 -4.530 -9.755 2.262 1.00 0.00 C ATOM 833 C LEU A 58 -5.263 -10.050 3.567 1.00 0.00 C ATOM 834 O LEU A 58 -4.924 -10.993 4.283 1.00 0.00 O ATOM 835 CB LEU A 58 -5.421 -10.112 1.071 1.00 0.00 C ATOM 836 CG LEU A 58 -5.005 -9.524 -0.278 1.00 0.00 C ATOM 837 CD1 LEU A 58 -5.360 -10.478 -1.408 1.00 0.00 C ATOM 838 CD2 LEU A 58 -5.663 -8.169 -0.495 1.00 0.00 C ATOM 0 H LEU A 58 -3.165 -11.061 1.352 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.300 -8.690 2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.451 -11.198 0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.437 -9.783 1.291 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.924 -9.384 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.057 -10.043 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.842 -11.426 -1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.436 -10.650 -1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.356 -7.766 -1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.747 -8.284 -0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.359 -7.486 0.298 1.00 0.00 H new ATOM 850 N THR A 59 -6.273 -9.239 3.869 1.00 0.00 N ATOM 851 CA THR A 59 -7.055 -9.414 5.086 1.00 0.00 C ATOM 852 C THR A 59 -8.455 -9.927 4.771 1.00 0.00 C ATOM 853 O THR A 59 -9.244 -10.206 5.674 1.00 0.00 O ATOM 854 CB THR A 59 -7.169 -8.095 5.874 1.00 0.00 C ATOM 855 OG1 THR A 59 -7.835 -7.106 5.081 1.00 0.00 O ATOM 856 CG2 THR A 59 -5.794 -7.586 6.279 1.00 0.00 C ATOM 0 H THR A 59 -6.568 -8.455 3.287 1.00 0.00 H new ATOM 0 HA THR A 59 -6.531 -10.150 5.696 1.00 0.00 H new ATOM 0 HB THR A 59 -7.749 -8.286 6.777 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.905 -6.271 5.590 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.900 -6.654 6.834 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.302 -8.328 6.907 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.194 -7.410 5.386 1.00 0.00 H new ATOM 864 N LYS A 60 -8.760 -10.049 3.483 1.00 0.00 N ATOM 865 CA LYS A 60 -10.065 -10.531 3.047 1.00 0.00 C ATOM 866 C LYS A 60 -10.005 -12.011 2.685 1.00 0.00 C ATOM 867 O LYS A 60 -10.733 -12.829 3.249 1.00 0.00 O ATOM 868 CB LYS A 60 -10.556 -9.720 1.846 1.00 0.00 C ATOM 869 CG LYS A 60 -12.068 -9.608 1.764 1.00 0.00 C ATOM 870 CD LYS A 60 -12.496 -8.318 1.085 1.00 0.00 C ATOM 871 CE LYS A 60 -13.952 -8.376 0.646 1.00 0.00 C ATOM 872 NZ LYS A 60 -14.559 -7.019 0.562 1.00 0.00 N ATOM 0 H LYS A 60 -8.120 -9.820 2.722 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.765 -10.405 3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.128 -8.719 1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.184 -10.181 0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.467 -10.460 1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.492 -9.650 2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.354 -7.481 1.769 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.861 -8.133 0.219 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.019 -8.865 -0.326 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.520 -8.985 1.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.585 -7.088 0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.140 -6.406 1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.377 -6.615 -0.379 1.00 0.00 H new ATOM 886 N CYS A 61 -9.134 -12.350 1.741 1.00 0.00 N ATOM 887 CA CYS A 61 -8.978 -13.732 1.303 1.00 0.00 C ATOM 888 C CYS A 61 -7.691 -14.336 1.858 1.00 0.00 C ATOM 889 O CYS A 61 -7.429 -15.527 1.688 1.00 0.00 O ATOM 890 CB CYS A 61 -8.972 -13.807 -0.225 1.00 0.00 C ATOM 891 SG CYS A 61 -7.905 -12.568 -1.027 1.00 0.00 S ATOM 0 H CYS A 61 -8.524 -11.686 1.264 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.822 -14.306 1.685 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.646 -14.802 -0.528 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.992 -13.682 -0.588 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.467 -12.157 -2.125 1.00 0.00 H new ATOM 896 N SER A 62 -6.892 -13.507 2.522 1.00 0.00 N ATOM 897 CA SER A 62 -5.632 -13.958 3.099 1.00 0.00 C ATOM 898 C SER A 62 -4.732 -14.569 2.029 1.00 0.00 C ATOM 899 O SER A 62 -4.145 -15.633 2.229 1.00 0.00 O ATOM 900 CB SER A 62 -5.890 -14.979 4.208 1.00 0.00 C ATOM 901 OG SER A 62 -6.743 -14.443 5.206 1.00 0.00 O ATOM 0 H SER A 62 -7.095 -12.519 2.674 1.00 0.00 H new ATOM 0 HA SER A 62 -5.125 -13.091 3.524 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.341 -15.876 3.783 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.944 -15.280 4.657 1.00 0.00 H new ATOM 0 HG SER A 62 -6.894 -15.115 5.903 1.00 0.00 H new ATOM 907 N HIS A 63 -4.630 -13.890 0.891 1.00 0.00 N ATOM 908 CA HIS A 63 -3.803 -14.365 -0.212 1.00 0.00 C ATOM 909 C HIS A 63 -2.506 -13.566 -0.301 1.00 0.00 C ATOM 910 O HIS A 63 -2.519 -12.374 -0.604 1.00 0.00 O ATOM 911 CB HIS A 63 -4.568 -14.265 -1.532 1.00 0.00 C ATOM 912 CG HIS A 63 -5.614 -15.324 -1.698 1.00 0.00 C ATOM 913 ND1 HIS A 63 -6.299 -15.526 -2.878 1.00 0.00 N ATOM 914 CD2 HIS A 63 -6.091 -16.243 -0.826 1.00 0.00 C ATOM 915 CE1 HIS A 63 -7.153 -16.523 -2.724 1.00 0.00 C ATOM 916 NE2 HIS A 63 -7.046 -16.975 -1.488 1.00 0.00 N ATOM 0 H HIS A 63 -5.110 -13.009 0.709 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.555 -15.409 -0.023 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.041 -13.285 -1.595 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.861 -14.331 -2.359 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.779 -16.376 0.199 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.824 -16.903 -3.480 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.585 -17.743 -1.089 1.00 0.00 H new ATOM 924 N ALA A 64 -1.387 -14.232 -0.035 1.00 0.00 N ATOM 925 CA ALA A 64 -0.082 -13.585 -0.086 1.00 0.00 C ATOM 926 C ALA A 64 0.186 -12.998 -1.468 1.00 0.00 C ATOM 927 O ALA A 64 -0.167 -13.595 -2.486 1.00 0.00 O ATOM 928 CB ALA A 64 1.012 -14.573 0.291 1.00 0.00 C ATOM 0 H ALA A 64 -1.358 -15.220 0.218 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.081 -12.767 0.634 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.981 -14.076 0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.837 -14.941 1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.003 -15.410 -0.407 1.00 0.00 H new ATOM 934 N PHE A 65 0.811 -11.826 -1.497 1.00 0.00 N ATOM 935 CA PHE A 65 1.124 -11.157 -2.755 1.00 0.00 C ATOM 936 C PHE A 65 2.130 -10.031 -2.536 1.00 0.00 C ATOM 937 O PHE A 65 2.063 -9.308 -1.541 1.00 0.00 O ATOM 938 CB PHE A 65 -0.151 -10.601 -3.392 1.00 0.00 C ATOM 939 CG PHE A 65 -0.871 -11.595 -4.258 1.00 0.00 C ATOM 940 CD1 PHE A 65 -0.330 -12.001 -5.467 1.00 0.00 C ATOM 941 CD2 PHE A 65 -2.090 -12.123 -3.862 1.00 0.00 C ATOM 942 CE1 PHE A 65 -0.990 -12.916 -6.266 1.00 0.00 C ATOM 943 CE2 PHE A 65 -2.754 -13.039 -4.656 1.00 0.00 C ATOM 944 CZ PHE A 65 -2.204 -13.435 -5.860 1.00 0.00 C ATOM 0 H PHE A 65 1.111 -11.319 -0.664 1.00 0.00 H new ATOM 0 HA PHE A 65 1.568 -11.891 -3.428 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.824 -10.263 -2.604 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.103 -9.726 -3.991 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.619 -11.598 -5.789 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.526 -11.815 -2.923 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.557 -13.225 -7.206 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.702 -13.445 -4.335 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.722 -14.149 -6.483 1.00 0.00 H new ATOM 954 N HIS A 66 3.062 -9.888 -3.473 1.00 0.00 N ATOM 955 CA HIS A 66 4.083 -8.850 -3.383 1.00 0.00 C ATOM 956 C HIS A 66 3.447 -7.480 -3.168 1.00 0.00 C ATOM 957 O HIS A 66 2.870 -6.900 -4.088 1.00 0.00 O ATOM 958 CB HIS A 66 4.937 -8.835 -4.651 1.00 0.00 C ATOM 959 CG HIS A 66 5.916 -9.966 -4.728 1.00 0.00 C ATOM 960 ND1 HIS A 66 5.693 -11.104 -5.474 1.00 0.00 N ATOM 961 CD2 HIS A 66 7.128 -10.130 -4.148 1.00 0.00 C ATOM 962 CE1 HIS A 66 6.725 -11.920 -5.348 1.00 0.00 C ATOM 963 NE2 HIS A 66 7.610 -11.351 -4.549 1.00 0.00 N ATOM 0 H HIS A 66 3.131 -10.477 -4.303 1.00 0.00 H new ATOM 0 HA HIS A 66 4.720 -9.074 -2.527 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.281 -8.873 -5.521 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.480 -7.891 -4.702 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.861 -11.287 -6.035 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.624 -9.430 -3.492 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.827 -12.887 -5.818 1.00 0.00 H new ATOM 971 N LEU A 67 3.556 -6.969 -1.946 1.00 0.00 N ATOM 972 CA LEU A 67 2.991 -5.667 -1.609 1.00 0.00 C ATOM 973 C LEU A 67 3.239 -4.659 -2.727 1.00 0.00 C ATOM 974 O LEU A 67 2.508 -3.677 -2.866 1.00 0.00 O ATOM 975 CB LEU A 67 3.592 -5.151 -0.300 1.00 0.00 C ATOM 976 CG LEU A 67 3.298 -5.986 0.947 1.00 0.00 C ATOM 977 CD1 LEU A 67 3.759 -5.254 2.199 1.00 0.00 C ATOM 978 CD2 LEU A 67 1.815 -6.312 1.033 1.00 0.00 C ATOM 0 H LEU A 67 4.030 -7.436 -1.173 1.00 0.00 H new ATOM 0 HA LEU A 67 1.915 -5.787 -1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.673 -5.083 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.226 -4.138 -0.130 1.00 0.00 H new ATOM 0 HG LEU A 67 3.851 -6.922 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.542 -5.863 3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.832 -5.072 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.234 -4.302 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.624 -6.907 1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.241 -5.387 1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.515 -6.877 0.150 1.00 0.00 H new ATOM 990 N LEU A 68 4.273 -4.909 -3.523 1.00 0.00 N ATOM 991 CA LEU A 68 4.617 -4.025 -4.631 1.00 0.00 C ATOM 992 C LEU A 68 3.781 -4.348 -5.865 1.00 0.00 C ATOM 993 O LEU A 68 3.138 -3.469 -6.441 1.00 0.00 O ATOM 994 CB LEU A 68 6.105 -4.147 -4.964 1.00 0.00 C ATOM 995 CG LEU A 68 6.671 -3.086 -5.908 1.00 0.00 C ATOM 996 CD1 LEU A 68 7.023 -1.821 -5.141 1.00 0.00 C ATOM 997 CD2 LEU A 68 7.890 -3.623 -6.644 1.00 0.00 C ATOM 0 H LEU A 68 4.888 -5.717 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 68 4.402 -3.001 -4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.669 -4.113 -4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.278 -5.128 -5.406 1.00 0.00 H new ATOM 0 HG LEU A 68 5.907 -2.838 -6.645 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.424 -1.078 -5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.128 -1.425 -4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.770 -2.052 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.280 -2.854 -7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.658 -3.900 -5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.606 -4.500 -7.226 1.00 0.00 H new ATOM 1009 N CYS A 69 3.791 -5.615 -6.266 1.00 0.00 N ATOM 1010 CA CYS A 69 3.033 -6.056 -7.430 1.00 0.00 C ATOM 1011 C CYS A 69 1.590 -5.564 -7.358 1.00 0.00 C ATOM 1012 O CYS A 69 1.033 -5.094 -8.350 1.00 0.00 O ATOM 1013 CB CYS A 69 3.058 -7.583 -7.533 1.00 0.00 C ATOM 1014 SG CYS A 69 4.650 -8.264 -8.098 1.00 0.00 S ATOM 0 H CYS A 69 4.317 -6.355 -5.801 1.00 0.00 H new ATOM 0 HA CYS A 69 3.500 -5.631 -8.318 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.820 -8.006 -6.557 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.274 -7.903 -8.219 1.00 0.00 H new ATOM 0 HG CYS A 69 4.918 -7.811 -9.287 1.00 0.00 H new ATOM 1019 N LEU A 70 0.992 -5.675 -6.177 1.00 0.00 N ATOM 1020 CA LEU A 70 -0.386 -5.242 -5.974 1.00 0.00 C ATOM 1021 C LEU A 70 -0.543 -3.759 -6.296 1.00 0.00 C ATOM 1022 O LEU A 70 -1.568 -3.334 -6.830 1.00 0.00 O ATOM 1023 CB LEU A 70 -0.819 -5.511 -4.532 1.00 0.00 C ATOM 1024 CG LEU A 70 -0.810 -6.975 -4.090 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -0.752 -7.075 -2.574 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.035 -7.701 -4.628 1.00 0.00 C ATOM 0 H LEU A 70 1.440 -6.061 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.023 -5.812 -6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.165 -4.947 -3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.827 -5.118 -4.397 1.00 0.00 H new ATOM 0 HG LEU A 70 0.080 -7.453 -4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.746 -8.124 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.155 -6.591 -2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.623 -6.581 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.013 -8.742 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.938 -7.222 -4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.033 -7.660 -5.717 1.00 0.00 H new ATOM 1038 N LEU A 71 0.479 -2.976 -5.969 1.00 0.00 N ATOM 1039 CA LEU A 71 0.456 -1.541 -6.225 1.00 0.00 C ATOM 1040 C LEU A 71 0.664 -1.249 -7.708 1.00 0.00 C ATOM 1041 O LEU A 71 -0.097 -0.496 -8.315 1.00 0.00 O ATOM 1042 CB LEU A 71 1.535 -0.838 -5.399 1.00 0.00 C ATOM 1043 CG LEU A 71 1.644 0.676 -5.586 1.00 0.00 C ATOM 1044 CD1 LEU A 71 0.647 1.398 -4.694 1.00 0.00 C ATOM 1045 CD2 LEU A 71 3.061 1.148 -5.297 1.00 0.00 C ATOM 0 H LEU A 71 1.334 -3.311 -5.526 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.523 -1.160 -5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.347 -1.041 -4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.499 -1.284 -5.643 1.00 0.00 H new ATOM 0 HG LEU A 71 1.408 0.912 -6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.740 2.474 -4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.365 1.083 -4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.850 1.156 -3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.120 2.228 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.325 0.899 -4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.754 0.656 -5.979 1.00 0.00 H new ATOM 1057 N ALA A 72 1.699 -1.851 -8.285 1.00 0.00 N ATOM 1058 CA ALA A 72 2.005 -1.659 -9.697 1.00 0.00 C ATOM 1059 C ALA A 72 0.809 -2.019 -10.571 1.00 0.00 C ATOM 1060 O ALA A 72 0.539 -1.357 -11.573 1.00 0.00 O ATOM 1061 CB ALA A 72 3.218 -2.488 -10.091 1.00 0.00 C ATOM 0 H ALA A 72 2.340 -2.476 -7.796 1.00 0.00 H new ATOM 0 HA ALA A 72 2.233 -0.605 -9.855 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.435 -2.335 -11.148 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.078 -2.181 -9.496 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.011 -3.543 -9.912 1.00 0.00 H new ATOM 1067 N MET A 73 0.095 -3.072 -10.186 1.00 0.00 N ATOM 1068 CA MET A 73 -1.073 -3.519 -10.935 1.00 0.00 C ATOM 1069 C MET A 73 -2.251 -2.574 -10.721 1.00 0.00 C ATOM 1070 O MET A 73 -3.019 -2.304 -11.644 1.00 0.00 O ATOM 1071 CB MET A 73 -1.460 -4.939 -10.518 1.00 0.00 C ATOM 1072 CG MET A 73 -2.708 -5.457 -11.214 1.00 0.00 C ATOM 1073 SD MET A 73 -3.530 -6.764 -10.283 1.00 0.00 S ATOM 1074 CE MET A 73 -3.912 -5.905 -8.759 1.00 0.00 C ATOM 0 H MET A 73 0.305 -3.631 -9.359 1.00 0.00 H new ATOM 0 HA MET A 73 -0.817 -3.517 -11.994 1.00 0.00 H new ATOM 0 HB2 MET A 73 -0.629 -5.611 -10.732 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.619 -4.962 -9.440 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.404 -4.632 -11.366 1.00 0.00 H new ATOM 0 HG3 MET A 73 -2.439 -5.833 -12.201 1.00 0.00 H new ATOM 0 HE1 MET A 73 -4.931 -6.142 -8.453 1.00 0.00 H new ATOM 0 HE2 MET A 73 -3.217 -6.219 -7.980 1.00 0.00 H new ATOM 0 HE3 MET A 73 -3.821 -4.830 -8.915 1.00 0.00 H new ATOM 1084 N TYR A 74 -2.387 -2.075 -9.497 1.00 0.00 N ATOM 1085 CA TYR A 74 -3.474 -1.162 -9.161 1.00 0.00 C ATOM 1086 C TYR A 74 -3.355 0.140 -9.948 1.00 0.00 C ATOM 1087 O TYR A 74 -4.358 0.713 -10.376 1.00 0.00 O ATOM 1088 CB TYR A 74 -3.473 -0.866 -7.660 1.00 0.00 C ATOM 1089 CG TYR A 74 -4.229 0.391 -7.291 1.00 0.00 C ATOM 1090 CD1 TYR A 74 -5.614 0.385 -7.183 1.00 0.00 C ATOM 1091 CD2 TYR A 74 -3.558 1.583 -7.051 1.00 0.00 C ATOM 1092 CE1 TYR A 74 -6.309 1.531 -6.846 1.00 0.00 C ATOM 1093 CE2 TYR A 74 -4.244 2.733 -6.712 1.00 0.00 C ATOM 1094 CZ TYR A 74 -5.619 2.702 -6.611 1.00 0.00 C ATOM 1095 OH TYR A 74 -6.307 3.846 -6.276 1.00 0.00 O ATOM 0 H TYR A 74 -1.759 -2.287 -8.722 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.415 -1.643 -9.429 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.911 -1.712 -7.131 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.443 -0.774 -7.317 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.157 -0.531 -7.365 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.481 1.611 -7.131 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.386 1.510 -6.767 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.707 3.651 -6.527 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.261 3.640 -6.188 1.00 0.00 H new ATOM 1105 N CYS A 75 -2.123 0.600 -10.135 1.00 0.00 N ATOM 1106 CA CYS A 75 -1.871 1.834 -10.870 1.00 0.00 C ATOM 1107 C CYS A 75 -2.276 1.688 -12.333 1.00 0.00 C ATOM 1108 O CYS A 75 -3.119 2.432 -12.832 1.00 0.00 O ATOM 1109 CB CYS A 75 -0.394 2.218 -10.772 1.00 0.00 C ATOM 1110 SG CYS A 75 0.021 3.771 -11.600 1.00 0.00 S ATOM 0 H CYS A 75 -1.283 0.137 -9.788 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.474 2.624 -10.423 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -0.118 2.294 -9.720 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.208 1.417 -11.202 1.00 0.00 H new ATOM 0 HG CYS A 75 1.291 4.011 -11.460 1.00 0.00 H new ATOM 1185 N GLY A 81 -9.550 4.140 -5.764 1.00 0.00 N ATOM 1186 CA GLY A 81 -9.531 3.907 -4.332 1.00 0.00 C ATOM 1187 C GLY A 81 -10.014 2.518 -3.963 1.00 0.00 C ATOM 1188 O GLY A 81 -10.913 2.366 -3.136 1.00 0.00 O ATOM 0 HA2 GLY A 81 -8.517 4.047 -3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.158 4.649 -3.838 1.00 0.00 H new ATOM 1192 N SER A 82 -9.419 1.503 -4.580 1.00 0.00 N ATOM 1193 CA SER A 82 -9.798 0.120 -4.317 1.00 0.00 C ATOM 1194 C SER A 82 -8.724 -0.843 -4.814 1.00 0.00 C ATOM 1195 O SER A 82 -7.932 -0.506 -5.695 1.00 0.00 O ATOM 1196 CB SER A 82 -11.135 -0.201 -4.987 1.00 0.00 C ATOM 1197 OG SER A 82 -11.073 0.024 -6.384 1.00 0.00 O ATOM 0 H SER A 82 -8.672 1.612 -5.266 1.00 0.00 H new ATOM 0 HA SER A 82 -9.901 -0.003 -3.239 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.401 -1.240 -4.795 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.921 0.416 -4.551 1.00 0.00 H new ATOM 0 HG SER A 82 -11.939 -0.190 -6.789 1.00 0.00 H new ATOM 1203 N LEU A 83 -8.702 -2.042 -4.243 1.00 0.00 N ATOM 1204 CA LEU A 83 -7.726 -3.055 -4.627 1.00 0.00 C ATOM 1205 C LEU A 83 -8.396 -4.411 -4.824 1.00 0.00 C ATOM 1206 O LEU A 83 -9.001 -4.954 -3.901 1.00 0.00 O ATOM 1207 CB LEU A 83 -6.631 -3.165 -3.565 1.00 0.00 C ATOM 1208 CG LEU A 83 -5.335 -3.848 -4.004 1.00 0.00 C ATOM 1209 CD1 LEU A 83 -5.593 -5.307 -4.351 1.00 0.00 C ATOM 1210 CD2 LEU A 83 -4.721 -3.117 -5.189 1.00 0.00 C ATOM 0 H LEU A 83 -9.349 -2.336 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.278 -2.751 -5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.389 -2.161 -3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.034 -3.710 -2.712 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.628 -3.811 -3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.660 -5.778 -4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.987 -5.825 -3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.317 -5.365 -5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.800 -3.617 -5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.423 -3.122 -6.023 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.500 -2.088 -4.907 1.00 0.00 H new ATOM 1222 N GLN A 84 -8.282 -4.952 -6.033 1.00 0.00 N ATOM 1223 CA GLN A 84 -8.876 -6.245 -6.350 1.00 0.00 C ATOM 1224 C GLN A 84 -7.804 -7.324 -6.460 1.00 0.00 C ATOM 1225 O GLN A 84 -6.710 -7.078 -6.969 1.00 0.00 O ATOM 1226 CB GLN A 84 -9.667 -6.160 -7.657 1.00 0.00 C ATOM 1227 CG GLN A 84 -10.454 -7.421 -7.975 1.00 0.00 C ATOM 1228 CD GLN A 84 -10.777 -7.551 -9.450 1.00 0.00 C ATOM 1229 OE1 GLN A 84 -9.891 -7.465 -10.301 1.00 0.00 O ATOM 1230 NE2 GLN A 84 -12.051 -7.760 -9.761 1.00 0.00 N ATOM 0 H GLN A 84 -7.784 -4.515 -6.808 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.554 -6.513 -5.540 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.355 -5.317 -7.601 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.978 -5.955 -8.476 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.883 -8.292 -7.654 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.382 -7.420 -7.403 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.752 -7.824 -9.023 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.328 -7.856 -10.738 1.00 0.00 H new ATOM 1239 N CYS A 85 -8.125 -8.521 -5.978 1.00 0.00 N ATOM 1240 CA CYS A 85 -7.190 -9.638 -6.021 1.00 0.00 C ATOM 1241 C CYS A 85 -7.104 -10.222 -7.428 1.00 0.00 C ATOM 1242 O CYS A 85 -8.112 -10.545 -8.056 1.00 0.00 O ATOM 1243 CB CYS A 85 -7.616 -10.725 -5.031 1.00 0.00 C ATOM 1244 SG CYS A 85 -6.311 -11.938 -4.651 1.00 0.00 S ATOM 0 H CYS A 85 -9.026 -8.741 -5.553 1.00 0.00 H new ATOM 0 HA CYS A 85 -6.205 -9.266 -5.740 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -7.938 -10.251 -4.104 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.480 -11.252 -5.436 1.00 0.00 H new ATOM 0 HG CYS A 85 -6.375 -12.923 -5.497 1.00 0.00 H new ATOM 1249 N PRO A 86 -5.870 -10.361 -7.936 1.00 0.00 N ATOM 1250 CA PRO A 86 -5.622 -10.907 -9.274 1.00 0.00 C ATOM 1251 C PRO A 86 -5.931 -12.398 -9.358 1.00 0.00 C ATOM 1252 O PRO A 86 -5.743 -13.023 -10.402 1.00 0.00 O ATOM 1253 CB PRO A 86 -4.127 -10.659 -9.487 1.00 0.00 C ATOM 1254 CG PRO A 86 -3.553 -10.599 -8.113 1.00 0.00 C ATOM 1255 CD PRO A 86 -4.623 -9.997 -7.244 1.00 0.00 C ATOM 0 HA PRO A 86 -6.257 -10.442 -10.028 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.672 -11.459 -10.071 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.953 -9.730 -10.030 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.278 -11.593 -7.761 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.648 -9.992 -8.094 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.593 -10.400 -6.232 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.511 -8.916 -7.160 1.00 0.00 H new ATOM 1263 N SER A 87 -6.407 -12.963 -8.253 1.00 0.00 N ATOM 1264 CA SER A 87 -6.739 -14.381 -8.201 1.00 0.00 C ATOM 1265 C SER A 87 -8.220 -14.582 -7.891 1.00 0.00 C ATOM 1266 O SER A 87 -8.997 -14.990 -8.755 1.00 0.00 O ATOM 1267 CB SER A 87 -5.886 -15.089 -7.147 1.00 0.00 C ATOM 1268 OG SER A 87 -5.474 -14.186 -6.135 1.00 0.00 O ATOM 0 H SER A 87 -6.571 -12.459 -7.381 1.00 0.00 H new ATOM 0 HA SER A 87 -6.528 -14.813 -9.179 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.455 -15.905 -6.701 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.011 -15.533 -7.621 1.00 0.00 H new ATOM 0 HG SER A 87 -4.512 -14.018 -6.218 1.00 0.00 H new ATOM 1274 N CYS A 88 -8.603 -14.291 -6.653 1.00 0.00 N ATOM 1275 CA CYS A 88 -9.989 -14.439 -6.226 1.00 0.00 C ATOM 1276 C CYS A 88 -10.830 -13.252 -6.688 1.00 0.00 C ATOM 1277 O CYS A 88 -11.959 -13.062 -6.234 1.00 0.00 O ATOM 1278 CB CYS A 88 -10.065 -14.570 -4.704 1.00 0.00 C ATOM 1279 SG CYS A 88 -9.387 -13.141 -3.800 1.00 0.00 S ATOM 0 H CYS A 88 -7.972 -13.951 -5.927 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.389 -15.345 -6.682 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -11.106 -14.709 -4.414 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -9.526 -15.468 -4.400 1.00 0.00 H new ATOM 0 HG CYS A 88 -8.884 -13.541 -2.670 1.00 0.00 H new ATOM 1284 N LYS A 89 -10.273 -12.457 -7.595 1.00 0.00 N ATOM 1285 CA LYS A 89 -10.970 -11.290 -8.121 1.00 0.00 C ATOM 1286 C LYS A 89 -11.843 -10.647 -7.048 1.00 0.00 C ATOM 1287 O LYS A 89 -12.960 -10.207 -7.322 1.00 0.00 O ATOM 1288 CB LYS A 89 -11.830 -11.683 -9.325 1.00 0.00 C ATOM 1289 CG LYS A 89 -11.020 -12.080 -10.547 1.00 0.00 C ATOM 1290 CD LYS A 89 -10.248 -10.899 -11.112 1.00 0.00 C ATOM 1291 CE LYS A 89 -9.472 -11.287 -12.361 1.00 0.00 C ATOM 1292 NZ LYS A 89 -10.333 -11.274 -13.576 1.00 0.00 N ATOM 0 H LYS A 89 -9.340 -12.600 -7.981 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.221 -10.564 -8.438 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.477 -12.513 -9.043 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.479 -10.847 -9.586 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.325 -12.876 -10.281 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.686 -12.480 -11.312 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.940 -10.090 -11.349 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.559 -10.519 -10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.639 -10.598 -12.499 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.045 -12.281 -12.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.767 -11.544 -14.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.114 -11.950 -13.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.720 -10.319 -13.717 1.00 0.00 H new ATOM 1306 N THR A 90 -11.326 -10.595 -5.824 1.00 0.00 N ATOM 1307 CA THR A 90 -12.057 -10.006 -4.710 1.00 0.00 C ATOM 1308 C THR A 90 -11.866 -8.495 -4.663 1.00 0.00 C ATOM 1309 O THR A 90 -10.749 -8.007 -4.488 1.00 0.00 O ATOM 1310 CB THR A 90 -11.613 -10.610 -3.364 1.00 0.00 C ATOM 1311 OG1 THR A 90 -11.946 -12.002 -3.319 1.00 0.00 O ATOM 1312 CG2 THR A 90 -12.276 -9.887 -2.201 1.00 0.00 C ATOM 0 H THR A 90 -10.403 -10.954 -5.580 1.00 0.00 H new ATOM 0 HA THR A 90 -13.111 -10.231 -4.871 1.00 0.00 H new ATOM 0 HB THR A 90 -10.533 -10.492 -3.276 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.194 -12.530 -3.660 1.00 0.00 H new ATOM 0 HG21 THR A 90 -11.947 -10.331 -1.261 1.00 0.00 H new ATOM 0 HG22 THR A 90 -11.998 -8.833 -2.221 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.359 -9.978 -2.286 1.00 0.00 H new ATOM 1320 N ILE A 91 -12.961 -7.759 -4.821 1.00 0.00 N ATOM 1321 CA ILE A 91 -12.912 -6.302 -4.795 1.00 0.00 C ATOM 1322 C ILE A 91 -12.899 -5.778 -3.363 1.00 0.00 C ATOM 1323 O ILE A 91 -13.730 -6.166 -2.541 1.00 0.00 O ATOM 1324 CB ILE A 91 -14.108 -5.686 -5.545 1.00 0.00 C ATOM 1325 CG1 ILE A 91 -13.992 -5.958 -7.046 1.00 0.00 C ATOM 1326 CG2 ILE A 91 -14.187 -4.190 -5.277 1.00 0.00 C ATOM 1327 CD1 ILE A 91 -15.316 -5.895 -7.775 1.00 0.00 C ATOM 0 H ILE A 91 -13.893 -8.147 -4.968 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.989 -6.008 -5.295 1.00 0.00 H new ATOM 0 HB ILE A 91 -15.025 -6.150 -5.181 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -13.309 -5.232 -7.487 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -13.550 -6.943 -7.196 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -15.037 -3.769 -5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.311 -4.018 -4.208 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -13.269 -3.710 -5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -15.158 -6.098 -8.834 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -15.995 -6.640 -7.360 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -15.750 -4.902 -7.656 1.00 0.00 H new ATOM 1339 N TYR A 92 -11.952 -4.893 -3.072 1.00 0.00 N ATOM 1340 CA TYR A 92 -11.830 -4.316 -1.739 1.00 0.00 C ATOM 1341 C TYR A 92 -12.320 -2.871 -1.724 1.00 0.00 C ATOM 1342 O TYR A 92 -12.270 -2.176 -2.738 1.00 0.00 O ATOM 1343 CB TYR A 92 -10.377 -4.378 -1.264 1.00 0.00 C ATOM 1344 CG TYR A 92 -9.874 -5.786 -1.036 1.00 0.00 C ATOM 1345 CD1 TYR A 92 -9.940 -6.739 -2.045 1.00 0.00 C ATOM 1346 CD2 TYR A 92 -9.334 -6.162 0.187 1.00 0.00 C ATOM 1347 CE1 TYR A 92 -9.483 -8.027 -1.841 1.00 0.00 C ATOM 1348 CE2 TYR A 92 -8.873 -7.447 0.399 1.00 0.00 C ATOM 1349 CZ TYR A 92 -8.950 -8.376 -0.618 1.00 0.00 C ATOM 1350 OH TYR A 92 -8.493 -9.657 -0.410 1.00 0.00 O ATOM 0 H TYR A 92 -11.258 -4.560 -3.741 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.452 -4.899 -1.060 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.741 -3.889 -2.002 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.282 -3.813 -0.337 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.355 -6.469 -3.005 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.273 -5.438 0.986 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.543 -8.756 -2.635 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.455 -7.723 1.356 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.635 -10.190 -1.220 1.00 0.00 H new