USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 639 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: B 7 SER OG : rot -170:sc= 0.725 USER MOD Set 1.2: B 11 TYR OH : rot -30:sc= 0.578 USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 26 LYS NZ :NH3+ 136:sc= 0.00614 (180deg=0) USER MOD Set 3.1: A 5 THR OG1 : rot -32:sc= 1.52 USER MOD Set 3.2: A 8 THR OG1 : rot 62:sc= -1.9! USER MOD Set 3.3: A 9 SER OG : rot 180:sc= -1.37! USER MOD Set 3.4: A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ILE N :NH3+ -108:sc= -0.772 (180deg=-2.21!) USER MOD Single : A 4 HIS : no HD1:sc= -16.4! C(o=-16!,f=-17!) USER MOD Single : A 6 THR OG1 : rot 60:sc= -3.86! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0488 USER MOD Single : A 21 ASN : amide:sc= -4.94! K(o=-4.9!,f=-2) USER MOD Single : A 27 MET CE :methyl -110:sc= -1.67 (180deg=-4.8!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= 0.2 (180deg=0.0295) USER MOD Single : A 47 THR OG1 : rot 180:sc=-0.00895 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.736) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 92:sc= 0.625 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -5.2! C(o=-5.2!,f=-9.6!) USER MOD Single : A 68 HIS : no HD1:sc= -6.6! C(o=-6.6!,f=-7.2!) USER MOD Single : A 70 LYS NZ :NH3+ -114:sc= -3.6! (180deg=-5.81!) USER MOD Single : A 71 GLN : amide:sc= -1.68! C(o=-1.7!,f=-3.2!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -171:sc= 0.304 (180deg=0.158) USER MOD Single : B 3 TYR OH : rot -120:sc= -2.54! USER MOD Single : B 4 TYR OH : rot -103:sc= -2.14! USER MOD Single : B 6 SER OG : rot 180:sc= 0.00841 USER MOD Single : B 9 LYS NZ :NH3+ -164:sc= -1.43 (180deg=-2.15) USER MOD Single : B 10 SER OG : rot 49:sc= 0.64 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 8.522 15.319 -1.054 1.00 0.00 N ATOM 2 CA ILE A 1 7.212 14.917 -1.641 1.00 0.00 C ATOM 3 C ILE A 1 6.373 14.168 -0.601 1.00 0.00 C ATOM 4 O ILE A 1 6.793 13.969 0.522 1.00 0.00 O ATOM 5 CB ILE A 1 7.566 13.996 -2.809 1.00 0.00 C ATOM 6 CG1 ILE A 1 8.572 12.942 -2.340 1.00 0.00 C ATOM 7 CG2 ILE A 1 8.182 14.820 -3.941 1.00 0.00 C ATOM 8 CD1 ILE A 1 8.238 11.595 -2.983 1.00 0.00 C ATOM 0 H1 ILE A 1 8.533 16.348 -0.900 1.00 0.00 H new ATOM 0 H2 ILE A 1 8.660 14.832 -0.146 1.00 0.00 H new ATOM 0 H3 ILE A 1 9.289 15.059 -1.706 1.00 0.00 H new ATOM 0 HA ILE A 1 6.624 15.776 -1.964 1.00 0.00 H new ATOM 0 HB ILE A 1 6.663 13.503 -3.169 1.00 0.00 H new ATOM 0 HG12 ILE A 1 9.584 13.245 -2.610 1.00 0.00 H new ATOM 0 HG13 ILE A 1 8.544 12.855 -1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 1 8.434 14.163 -4.773 1.00 0.00 H new ATOM 0 HG22 ILE A 1 7.466 15.571 -4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 1 9.085 15.314 -3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 1 8.955 10.845 -2.649 1.00 0.00 H new ATOM 0 HD12 ILE A 1 7.232 11.292 -2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 1 8.289 11.687 -4.068 1.00 0.00 H new ATOM 22 N VAL A 2 5.190 13.753 -0.964 1.00 0.00 N ATOM 23 CA VAL A 2 4.327 13.020 0.008 1.00 0.00 C ATOM 24 C VAL A 2 3.953 11.648 -0.549 1.00 0.00 C ATOM 25 O VAL A 2 3.994 11.415 -1.741 1.00 0.00 O ATOM 26 CB VAL A 2 3.075 13.880 0.164 1.00 0.00 C ATOM 27 CG1 VAL A 2 2.318 13.464 1.424 1.00 0.00 C ATOM 28 CG2 VAL A 2 3.474 15.351 0.279 1.00 0.00 C ATOM 0 H VAL A 2 4.784 13.889 -1.890 1.00 0.00 H new ATOM 0 HA VAL A 2 4.833 12.858 0.959 1.00 0.00 H new ATOM 0 HB VAL A 2 2.435 13.741 -0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.425 14.080 1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.029 12.416 1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.959 13.599 2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.579 15.963 0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.117 15.487 1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.011 15.654 -0.620 1.00 0.00 H new ATOM 38 N CYS A 3 3.595 10.736 0.307 1.00 0.00 N ATOM 39 CA CYS A 3 3.225 9.374 -0.165 1.00 0.00 C ATOM 40 C CYS A 3 1.921 8.920 0.493 1.00 0.00 C ATOM 41 O CYS A 3 1.541 9.423 1.529 1.00 0.00 O ATOM 42 CB CYS A 3 4.377 8.485 0.278 1.00 0.00 C ATOM 43 SG CYS A 3 5.956 9.313 -0.051 1.00 0.00 S ATOM 0 H CYS A 3 3.542 10.874 1.316 1.00 0.00 H new ATOM 0 HA CYS A 3 3.066 9.339 -1.243 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.288 8.262 1.341 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.338 7.533 -0.252 1.00 0.00 H new ATOM 48 N HIS A 4 1.240 7.963 -0.086 1.00 0.00 N ATOM 49 CA HIS A 4 -0.038 7.489 0.529 1.00 0.00 C ATOM 50 C HIS A 4 0.205 6.275 1.401 1.00 0.00 C ATOM 51 O HIS A 4 1.119 5.512 1.169 1.00 0.00 O ATOM 52 CB HIS A 4 -0.944 7.081 -0.613 1.00 0.00 C ATOM 53 CG HIS A 4 -0.892 8.088 -1.719 1.00 0.00 C ATOM 54 ND1 HIS A 4 -1.019 9.440 -1.482 1.00 0.00 N ATOM 55 CD2 HIS A 4 -0.749 7.953 -3.073 1.00 0.00 C ATOM 56 CE1 HIS A 4 -0.948 10.069 -2.668 1.00 0.00 C ATOM 57 NE2 HIS A 4 -0.782 9.207 -3.675 1.00 0.00 N ATOM 0 H HIS A 4 1.510 7.493 -0.950 1.00 0.00 H new ATOM 0 HA HIS A 4 -0.473 8.276 1.145 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.643 6.104 -0.991 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -1.968 6.982 -0.253 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -0.629 7.015 -3.595 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -1.017 11.140 -2.792 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -0.698 9.421 -4.669 1.00 0.00 H new ATOM 65 N THR A 5 -0.617 6.056 2.385 1.00 0.00 N ATOM 66 CA THR A 5 -0.409 4.855 3.217 1.00 0.00 C ATOM 67 C THR A 5 -1.640 3.971 3.180 1.00 0.00 C ATOM 68 O THR A 5 -2.678 4.275 3.733 1.00 0.00 O ATOM 69 CB THR A 5 -0.148 5.323 4.638 1.00 0.00 C ATOM 70 OG1 THR A 5 -1.345 5.230 5.391 1.00 0.00 O ATOM 71 CG2 THR A 5 0.382 6.762 4.662 1.00 0.00 C ATOM 0 H THR A 5 -1.408 6.647 2.642 1.00 0.00 H new ATOM 0 HA THR A 5 0.434 4.274 2.842 1.00 0.00 H new ATOM 0 HB THR A 5 0.614 4.681 5.080 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.114 5.387 4.804 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.559 7.067 5.693 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.316 6.815 4.103 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.352 7.428 4.207 1.00 0.00 H new ATOM 79 N THR A 6 -1.502 2.865 2.552 1.00 0.00 N ATOM 80 CA THR A 6 -2.618 1.893 2.482 1.00 0.00 C ATOM 81 C THR A 6 -2.473 0.921 3.651 1.00 0.00 C ATOM 82 O THR A 6 -3.378 0.187 3.989 1.00 0.00 O ATOM 83 CB THR A 6 -2.428 1.158 1.154 1.00 0.00 C ATOM 84 OG1 THR A 6 -1.111 1.384 0.676 1.00 0.00 O ATOM 85 CG2 THR A 6 -3.437 1.668 0.127 1.00 0.00 C ATOM 0 H THR A 6 -0.650 2.577 2.071 1.00 0.00 H new ATOM 0 HA THR A 6 -3.602 2.359 2.538 1.00 0.00 H new ATOM 0 HB THR A 6 -2.585 0.091 1.309 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.463 1.051 1.332 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.295 1.140 -0.816 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.449 1.492 0.493 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.288 2.736 -0.030 1.00 0.00 H new ATOM 93 N ALA A 7 -1.311 0.898 4.251 1.00 0.00 N ATOM 94 CA ALA A 7 -1.066 -0.039 5.377 1.00 0.00 C ATOM 95 C ALA A 7 -1.385 0.597 6.734 1.00 0.00 C ATOM 96 O ALA A 7 -1.729 -0.087 7.678 1.00 0.00 O ATOM 97 CB ALA A 7 0.417 -0.386 5.257 1.00 0.00 C ATOM 0 H ALA A 7 -0.520 1.493 4.005 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.708 -0.918 5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.694 -1.078 6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.605 -0.851 4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.012 0.523 5.344 1.00 0.00 H new ATOM 103 N THR A 8 -1.284 1.890 6.847 1.00 0.00 N ATOM 104 CA THR A 8 -1.596 2.543 8.152 1.00 0.00 C ATOM 105 C THR A 8 -3.016 3.104 8.104 1.00 0.00 C ATOM 106 O THR A 8 -3.976 2.412 8.377 1.00 0.00 O ATOM 107 CB THR A 8 -0.570 3.668 8.298 1.00 0.00 C ATOM 108 OG1 THR A 8 -0.127 4.075 7.011 1.00 0.00 O ATOM 109 CG2 THR A 8 0.623 3.172 9.115 1.00 0.00 C ATOM 0 H THR A 8 -1.001 2.522 6.098 1.00 0.00 H new ATOM 0 HA THR A 8 -1.544 1.852 8.994 1.00 0.00 H new ATOM 0 HB THR A 8 -1.031 4.514 8.808 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.886 4.425 6.499 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.353 3.975 9.218 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.283 2.862 10.103 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.085 2.325 8.607 1.00 0.00 H new ATOM 117 N SER A 9 -3.164 4.341 7.727 1.00 0.00 N ATOM 118 CA SER A 9 -4.529 4.919 7.628 1.00 0.00 C ATOM 119 C SER A 9 -5.239 4.247 6.449 1.00 0.00 C ATOM 120 O SER A 9 -4.742 3.272 5.922 1.00 0.00 O ATOM 121 CB SER A 9 -4.296 6.407 7.366 1.00 0.00 C ATOM 122 OG SER A 9 -4.416 6.662 5.972 1.00 0.00 O ATOM 0 H SER A 9 -2.402 4.974 7.484 1.00 0.00 H new ATOM 0 HA SER A 9 -5.145 4.771 8.515 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.020 7.004 7.920 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.306 6.700 7.717 1.00 0.00 H new ATOM 0 HG SER A 9 -4.269 7.616 5.800 1.00 0.00 H new ATOM 128 N PRO A 10 -6.364 4.775 6.050 1.00 0.00 N ATOM 129 CA PRO A 10 -7.087 4.175 4.905 1.00 0.00 C ATOM 130 C PRO A 10 -6.291 4.410 3.626 1.00 0.00 C ATOM 131 O PRO A 10 -5.832 3.493 2.975 1.00 0.00 O ATOM 132 CB PRO A 10 -8.417 4.922 4.886 1.00 0.00 C ATOM 133 CG PRO A 10 -8.155 6.215 5.588 1.00 0.00 C ATOM 134 CD PRO A 10 -7.062 5.951 6.592 1.00 0.00 C ATOM 0 HA PRO A 10 -7.229 3.097 4.985 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.758 5.091 3.865 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.196 4.351 5.392 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.851 6.985 4.879 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.056 6.576 6.084 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.392 6.805 6.687 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.469 5.753 7.584 1.00 0.00 H new ATOM 142 N ILE A 11 -6.114 5.642 3.290 1.00 0.00 N ATOM 143 CA ILE A 11 -5.343 6.008 2.090 1.00 0.00 C ATOM 144 C ILE A 11 -5.298 7.524 1.990 1.00 0.00 C ATOM 145 O ILE A 11 -6.278 8.184 1.709 1.00 0.00 O ATOM 146 CB ILE A 11 -6.074 5.344 0.930 1.00 0.00 C ATOM 147 CG1 ILE A 11 -5.080 4.371 0.283 1.00 0.00 C ATOM 148 CG2 ILE A 11 -6.567 6.384 -0.095 1.00 0.00 C ATOM 149 CD1 ILE A 11 -5.323 4.249 -1.226 1.00 0.00 C ATOM 0 H ILE A 11 -6.483 6.435 3.814 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.305 5.674 2.103 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.961 4.821 1.287 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.061 4.715 0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.172 3.390 0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.084 5.876 -0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.251 7.079 0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.715 6.934 -0.494 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.603 3.553 -1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.334 3.881 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.206 5.227 -1.694 1.00 0.00 H new ATOM 161 N SER A 12 -4.157 8.063 2.237 1.00 0.00 N ATOM 162 CA SER A 12 -3.991 9.533 2.187 1.00 0.00 C ATOM 163 C SER A 12 -2.513 9.840 2.049 1.00 0.00 C ATOM 164 O SER A 12 -1.675 9.089 2.514 1.00 0.00 O ATOM 165 CB SER A 12 -4.533 10.045 3.521 1.00 0.00 C ATOM 166 OG SER A 12 -3.476 10.095 4.469 1.00 0.00 O ATOM 0 H SER A 12 -3.313 7.543 2.477 1.00 0.00 H new ATOM 0 HA SER A 12 -4.512 10.000 1.351 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.969 11.036 3.393 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.328 9.390 3.879 1.00 0.00 H new ATOM 0 HG SER A 12 -3.820 10.425 5.325 1.00 0.00 H new ATOM 172 N ALA A 13 -2.180 10.914 1.400 1.00 0.00 N ATOM 173 CA ALA A 13 -0.746 11.232 1.217 1.00 0.00 C ATOM 174 C ALA A 13 -0.203 12.067 2.365 1.00 0.00 C ATOM 175 O ALA A 13 -0.434 13.257 2.444 1.00 0.00 O ATOM 176 CB ALA A 13 -0.673 12.027 -0.074 1.00 0.00 C ATOM 0 H ALA A 13 -2.835 11.581 0.991 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.148 10.321 1.187 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.363 12.299 -0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.056 11.422 -0.896 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.274 12.932 0.021 1.00 0.00 H new ATOM 182 N VAL A 14 0.555 11.468 3.232 1.00 0.00 N ATOM 183 CA VAL A 14 1.149 12.256 4.336 1.00 0.00 C ATOM 184 C VAL A 14 2.620 12.465 4.027 1.00 0.00 C ATOM 185 O VAL A 14 3.294 11.592 3.511 1.00 0.00 O ATOM 186 CB VAL A 14 0.968 11.445 5.628 1.00 0.00 C ATOM 187 CG1 VAL A 14 -0.336 10.662 5.561 1.00 0.00 C ATOM 188 CG2 VAL A 14 2.146 10.481 5.818 1.00 0.00 C ATOM 0 H VAL A 14 0.787 10.475 3.224 1.00 0.00 H new ATOM 0 HA VAL A 14 0.673 13.230 4.450 1.00 0.00 H new ATOM 0 HB VAL A 14 0.935 12.130 6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.463 10.087 6.478 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.171 11.354 5.448 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.310 9.983 4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.006 9.912 6.737 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.196 9.796 4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.074 11.049 5.881 1.00 0.00 H new ATOM 198 N THR A 15 3.115 13.609 4.327 1.00 0.00 N ATOM 199 CA THR A 15 4.546 13.879 4.051 1.00 0.00 C ATOM 200 C THR A 15 5.416 12.818 4.725 1.00 0.00 C ATOM 201 O THR A 15 5.019 12.198 5.691 1.00 0.00 O ATOM 202 CB THR A 15 4.815 15.241 4.666 1.00 0.00 C ATOM 203 OG1 THR A 15 3.766 16.135 4.316 1.00 0.00 O ATOM 204 CG2 THR A 15 6.145 15.768 4.135 1.00 0.00 C ATOM 0 H THR A 15 2.598 14.378 4.753 1.00 0.00 H new ATOM 0 HA THR A 15 4.772 13.858 2.985 1.00 0.00 H new ATOM 0 HB THR A 15 4.862 15.157 5.752 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.939 17.014 4.714 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.349 16.746 4.570 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.944 15.077 4.405 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.094 15.857 3.050 1.00 0.00 H new ATOM 212 N CYS A 16 6.601 12.606 4.227 1.00 0.00 N ATOM 213 CA CYS A 16 7.492 11.589 4.841 1.00 0.00 C ATOM 214 C CYS A 16 8.944 12.070 4.793 1.00 0.00 C ATOM 215 O CYS A 16 9.736 11.579 4.013 1.00 0.00 O ATOM 216 CB CYS A 16 7.304 10.345 3.978 1.00 0.00 C ATOM 217 SG CYS A 16 6.072 9.263 4.744 1.00 0.00 S ATOM 0 H CYS A 16 6.990 13.094 3.420 1.00 0.00 H new ATOM 0 HA CYS A 16 7.258 11.398 5.888 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.982 10.629 2.976 1.00 0.00 H new ATOM 0 HB3 CYS A 16 8.251 9.817 3.870 1.00 0.00 H new ATOM 222 N PRO A 17 9.241 13.027 5.634 1.00 0.00 N ATOM 223 CA PRO A 17 10.599 13.603 5.705 1.00 0.00 C ATOM 224 C PRO A 17 11.502 12.982 6.804 1.00 0.00 C ATOM 225 O PRO A 17 12.504 13.581 7.142 1.00 0.00 O ATOM 226 CB PRO A 17 10.304 15.060 6.053 1.00 0.00 C ATOM 227 CG PRO A 17 8.964 15.056 6.747 1.00 0.00 C ATOM 228 CD PRO A 17 8.347 13.685 6.577 1.00 0.00 C ATOM 0 HA PRO A 17 11.151 13.432 4.781 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.078 15.471 6.701 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.277 15.678 5.156 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.083 15.291 7.805 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.314 15.821 6.322 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.295 13.147 7.524 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.330 13.747 6.190 1.00 0.00 H new ATOM 236 N PRO A 18 11.169 11.821 7.340 1.00 0.00 N ATOM 237 CA PRO A 18 12.039 11.230 8.382 1.00 0.00 C ATOM 238 C PRO A 18 13.228 10.529 7.721 1.00 0.00 C ATOM 239 O PRO A 18 14.272 11.115 7.516 1.00 0.00 O ATOM 240 CB PRO A 18 11.135 10.227 9.087 1.00 0.00 C ATOM 241 CG PRO A 18 10.087 9.859 8.085 1.00 0.00 C ATOM 242 CD PRO A 18 10.013 10.962 7.057 1.00 0.00 C ATOM 0 HA PRO A 18 12.453 11.965 9.072 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.697 9.350 9.407 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.688 10.662 9.981 1.00 0.00 H new ATOM 0 HG2 PRO A 18 10.333 8.910 7.608 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.122 9.729 8.574 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.057 10.562 6.044 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.079 11.517 7.140 1.00 0.00 H new ATOM 250 N GLY A 19 13.070 9.284 7.371 1.00 0.00 N ATOM 251 CA GLY A 19 14.181 8.549 6.705 1.00 0.00 C ATOM 252 C GLY A 19 13.773 8.247 5.265 1.00 0.00 C ATOM 253 O GLY A 19 14.593 8.199 4.370 1.00 0.00 O ATOM 0 H GLY A 19 12.218 8.742 7.517 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.093 9.146 6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.396 7.623 7.239 1.00 0.00 H new ATOM 257 N GLU A 20 12.505 8.045 5.038 1.00 0.00 N ATOM 258 CA GLU A 20 12.025 7.751 3.666 1.00 0.00 C ATOM 259 C GLU A 20 12.107 9.007 2.799 1.00 0.00 C ATOM 260 O GLU A 20 11.414 9.978 3.027 1.00 0.00 O ATOM 261 CB GLU A 20 10.578 7.317 3.866 1.00 0.00 C ATOM 262 CG GLU A 20 10.563 5.934 4.517 1.00 0.00 C ATOM 263 CD GLU A 20 10.693 6.081 6.034 1.00 0.00 C ATOM 264 OE1 GLU A 20 9.987 6.904 6.592 1.00 0.00 O ATOM 265 OE2 GLU A 20 11.496 5.367 6.612 1.00 0.00 O ATOM 0 H GLU A 20 11.778 8.072 5.752 1.00 0.00 H new ATOM 0 HA GLU A 20 12.618 6.989 3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.052 8.036 4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.057 7.289 2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.637 5.414 4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.382 5.329 4.128 1.00 0.00 H new ATOM 272 N ASN A 21 12.958 8.998 1.813 1.00 0.00 N ATOM 273 CA ASN A 21 13.096 10.191 0.937 1.00 0.00 C ATOM 274 C ASN A 21 12.115 10.112 -0.234 1.00 0.00 C ATOM 275 O ASN A 21 11.916 11.072 -0.951 1.00 0.00 O ATOM 276 CB ASN A 21 14.536 10.134 0.429 1.00 0.00 C ATOM 277 CG ASN A 21 15.485 9.806 1.586 1.00 0.00 C ATOM 278 OD1 ASN A 21 16.596 9.367 1.367 1.00 0.00 O ATOM 279 ND2 ASN A 21 15.094 10.000 2.818 1.00 0.00 N ATOM 0 H ASN A 21 13.565 8.213 1.576 1.00 0.00 H new ATOM 0 HA ASN A 21 12.879 11.119 1.466 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.626 9.379 -0.352 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.811 11.089 -0.019 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.721 9.783 3.592 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.162 10.369 3.005 1.00 0.00 H new ATOM 286 N LEU A 22 11.504 8.977 -0.443 1.00 0.00 N ATOM 287 CA LEU A 22 10.547 8.856 -1.580 1.00 0.00 C ATOM 288 C LEU A 22 9.376 7.942 -1.207 1.00 0.00 C ATOM 289 O LEU A 22 9.316 7.409 -0.118 1.00 0.00 O ATOM 290 CB LEU A 22 11.369 8.239 -2.712 1.00 0.00 C ATOM 291 CG LEU A 22 11.723 6.791 -2.362 1.00 0.00 C ATOM 292 CD1 LEU A 22 10.929 5.844 -3.261 1.00 0.00 C ATOM 293 CD2 LEU A 22 13.220 6.564 -2.586 1.00 0.00 C ATOM 0 H LEU A 22 11.625 8.135 0.119 1.00 0.00 H new ATOM 0 HA LEU A 22 10.113 9.817 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.804 8.271 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.279 8.818 -2.871 1.00 0.00 H new ATOM 0 HG LEU A 22 11.477 6.598 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.179 4.812 -3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.862 6.005 -3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.179 6.038 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.473 5.533 -2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.465 6.756 -3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.790 7.241 -1.950 1.00 0.00 H new ATOM 305 N CYS A 23 8.446 7.752 -2.106 1.00 0.00 N ATOM 306 CA CYS A 23 7.290 6.869 -1.803 1.00 0.00 C ATOM 307 C CYS A 23 7.530 5.494 -2.409 1.00 0.00 C ATOM 308 O CYS A 23 8.462 5.290 -3.160 1.00 0.00 O ATOM 309 CB CYS A 23 6.083 7.535 -2.461 1.00 0.00 C ATOM 310 SG CYS A 23 6.086 9.298 -2.064 1.00 0.00 S ATOM 0 H CYS A 23 8.440 8.172 -3.036 1.00 0.00 H new ATOM 0 HA CYS A 23 7.139 6.738 -0.732 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.119 7.393 -3.541 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.161 7.073 -2.109 1.00 0.00 H new ATOM 315 N TYR A 24 6.701 4.549 -2.101 1.00 0.00 N ATOM 316 CA TYR A 24 6.907 3.200 -2.670 1.00 0.00 C ATOM 317 C TYR A 24 5.592 2.449 -2.769 1.00 0.00 C ATOM 318 O TYR A 24 4.742 2.557 -1.918 1.00 0.00 O ATOM 319 CB TYR A 24 7.840 2.485 -1.697 1.00 0.00 C ATOM 320 CG TYR A 24 7.059 2.033 -0.491 1.00 0.00 C ATOM 321 CD1 TYR A 24 6.357 0.826 -0.532 1.00 0.00 C ATOM 322 CD2 TYR A 24 7.034 2.820 0.655 1.00 0.00 C ATOM 323 CE1 TYR A 24 5.629 0.403 0.586 1.00 0.00 C ATOM 324 CE2 TYR A 24 6.307 2.404 1.777 1.00 0.00 C ATOM 325 CZ TYR A 24 5.604 1.193 1.743 1.00 0.00 C ATOM 326 OH TYR A 24 4.886 0.780 2.847 1.00 0.00 O ATOM 0 H TYR A 24 5.895 4.650 -1.484 1.00 0.00 H new ATOM 0 HA TYR A 24 7.322 3.254 -3.677 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.304 1.628 -2.185 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.646 3.153 -1.392 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.376 0.220 -1.426 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.576 3.754 0.680 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.087 -0.531 0.557 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.288 3.016 2.667 1.00 0.00 H new ATOM 0 HH TYR A 24 4.976 1.444 3.563 1.00 0.00 H new ATOM 336 N ARG A 25 5.432 1.664 -3.780 1.00 0.00 N ATOM 337 CA ARG A 25 4.172 0.888 -3.898 1.00 0.00 C ATOM 338 C ARG A 25 4.466 -0.599 -3.690 1.00 0.00 C ATOM 339 O ARG A 25 5.243 -1.187 -4.414 1.00 0.00 O ATOM 340 CB ARG A 25 3.676 1.142 -5.322 1.00 0.00 C ATOM 341 CG ARG A 25 3.636 2.648 -5.591 1.00 0.00 C ATOM 342 CD ARG A 25 2.787 2.923 -6.834 1.00 0.00 C ATOM 343 NE ARG A 25 3.454 2.164 -7.929 1.00 0.00 N ATOM 344 CZ ARG A 25 3.239 2.490 -9.174 1.00 0.00 C ATOM 345 NH1 ARG A 25 2.058 2.899 -9.547 1.00 0.00 N ATOM 346 NH2 ARG A 25 4.206 2.406 -10.047 1.00 0.00 N ATOM 0 H ARG A 25 6.110 1.522 -4.529 1.00 0.00 H new ATOM 0 HA ARG A 25 3.429 1.181 -3.156 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.334 0.652 -6.040 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.683 0.712 -5.454 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.219 3.171 -4.730 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.647 3.029 -5.737 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.759 2.590 -6.692 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.749 3.989 -7.058 1.00 0.00 H new ATOM 0 HE ARG A 25 4.079 1.389 -7.705 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.302 2.964 -8.865 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.890 3.154 -10.520 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.130 2.086 -9.756 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.038 2.661 -11.020 1.00 0.00 H new ATOM 360 N LYS A 26 3.858 -1.221 -2.716 1.00 0.00 N ATOM 361 CA LYS A 26 4.129 -2.666 -2.500 1.00 0.00 C ATOM 362 C LYS A 26 2.909 -3.487 -2.877 1.00 0.00 C ATOM 363 O LYS A 26 1.842 -2.968 -3.138 1.00 0.00 O ATOM 364 CB LYS A 26 4.429 -2.832 -1.007 1.00 0.00 C ATOM 365 CG LYS A 26 5.864 -3.327 -0.826 1.00 0.00 C ATOM 366 CD LYS A 26 6.162 -3.485 0.666 1.00 0.00 C ATOM 367 CE LYS A 26 7.216 -2.459 1.089 1.00 0.00 C ATOM 368 NZ LYS A 26 6.919 -2.168 2.519 1.00 0.00 N ATOM 0 H LYS A 26 3.194 -0.795 -2.069 1.00 0.00 H new ATOM 0 HA LYS A 26 4.963 -3.007 -3.113 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.293 -1.882 -0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.730 -3.540 -0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.999 -4.280 -1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.563 -2.622 -1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.250 -3.345 1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.519 -4.494 0.871 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.224 -2.856 0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.154 -1.556 0.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.806 -2.153 3.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.451 -1.243 2.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.292 -2.905 2.900 1.00 0.00 H new ATOM 382 N MET A 27 3.066 -4.769 -2.892 1.00 0.00 N ATOM 383 CA MET A 27 1.932 -5.658 -3.233 1.00 0.00 C ATOM 384 C MET A 27 2.211 -7.033 -2.701 1.00 0.00 C ATOM 385 O MET A 27 3.266 -7.599 -2.904 1.00 0.00 O ATOM 386 CB MET A 27 1.841 -5.659 -4.759 1.00 0.00 C ATOM 387 CG MET A 27 0.468 -5.143 -5.193 1.00 0.00 C ATOM 388 SD MET A 27 0.452 -4.912 -6.988 1.00 0.00 S ATOM 389 CE MET A 27 0.335 -3.107 -6.982 1.00 0.00 C ATOM 0 H MET A 27 3.941 -5.248 -2.680 1.00 0.00 H new ATOM 0 HA MET A 27 0.991 -5.324 -2.797 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.626 -5.031 -5.180 1.00 0.00 H new ATOM 0 HB3 MET A 27 1.999 -6.667 -5.142 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.308 -5.850 -4.899 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.247 -4.201 -4.692 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.652 -2.805 -7.332 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.490 -2.736 -5.969 1.00 0.00 H new ATOM 0 HE3 MET A 27 1.096 -2.691 -7.642 1.00 0.00 H new ATOM 399 N TRP A 28 1.281 -7.564 -1.986 1.00 0.00 N ATOM 400 CA TRP A 28 1.506 -8.887 -1.405 1.00 0.00 C ATOM 401 C TRP A 28 0.204 -9.579 -1.084 1.00 0.00 C ATOM 402 O TRP A 28 -0.861 -9.114 -1.389 1.00 0.00 O ATOM 403 CB TRP A 28 2.258 -8.609 -0.127 1.00 0.00 C ATOM 404 CG TRP A 28 1.614 -7.496 0.633 1.00 0.00 C ATOM 405 CD1 TRP A 28 0.284 -7.294 0.802 1.00 0.00 C ATOM 406 CD2 TRP A 28 2.278 -6.436 1.340 1.00 0.00 C ATOM 407 NE1 TRP A 28 0.108 -6.157 1.581 1.00 0.00 N ATOM 408 CE2 TRP A 28 1.317 -5.595 1.934 1.00 0.00 C ATOM 409 CE3 TRP A 28 3.624 -6.140 1.508 1.00 0.00 C ATOM 410 CZ2 TRP A 28 1.690 -4.481 2.683 1.00 0.00 C ATOM 411 CZ3 TRP A 28 4.018 -5.021 2.260 1.00 0.00 C ATOM 412 CH2 TRP A 28 3.050 -4.190 2.848 1.00 0.00 C ATOM 0 H TRP A 28 0.377 -7.138 -1.781 1.00 0.00 H new ATOM 0 HA TRP A 28 2.043 -9.541 -2.092 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.285 -9.508 0.488 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.291 -8.349 -0.356 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -0.505 -7.912 0.399 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.801 -5.785 1.857 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.373 -6.774 1.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.938 -3.849 3.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.067 -4.799 2.386 1.00 0.00 H new ATOM 0 HH2 TRP A 28 3.354 -3.329 3.426 1.00 0.00 H new ATOM 423 N CYS A 29 0.304 -10.693 -0.471 1.00 0.00 N ATOM 424 CA CYS A 29 -0.920 -11.461 -0.116 1.00 0.00 C ATOM 425 C CYS A 29 -1.297 -11.173 1.341 1.00 0.00 C ATOM 426 O CYS A 29 -0.443 -11.063 2.198 1.00 0.00 O ATOM 427 CB CYS A 29 -0.518 -12.919 -0.302 1.00 0.00 C ATOM 428 SG CYS A 29 -0.525 -13.319 -2.068 1.00 0.00 S ATOM 0 H CYS A 29 1.184 -11.125 -0.189 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.786 -11.201 -0.724 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.473 -13.092 0.118 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.209 -13.570 0.233 1.00 0.00 H new ATOM 433 N ASP A 30 -2.561 -11.035 1.633 1.00 0.00 N ATOM 434 CA ASP A 30 -2.966 -10.738 3.039 1.00 0.00 C ATOM 435 C ASP A 30 -3.425 -12.015 3.755 1.00 0.00 C ATOM 436 O ASP A 30 -2.625 -12.751 4.297 1.00 0.00 O ATOM 437 CB ASP A 30 -4.115 -9.736 2.918 1.00 0.00 C ATOM 438 CG ASP A 30 -4.625 -9.372 4.314 1.00 0.00 C ATOM 439 OD1 ASP A 30 -5.241 -10.219 4.938 1.00 0.00 O ATOM 440 OD2 ASP A 30 -4.391 -8.251 4.734 1.00 0.00 O ATOM 0 H ASP A 30 -3.328 -11.114 0.965 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.139 -10.339 3.627 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.777 -8.840 2.398 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.923 -10.163 2.324 1.00 0.00 H new ATOM 445 N ALA A 31 -4.705 -12.281 3.770 1.00 0.00 N ATOM 446 CA ALA A 31 -5.205 -13.505 4.460 1.00 0.00 C ATOM 447 C ALA A 31 -4.291 -14.697 4.162 1.00 0.00 C ATOM 448 O ALA A 31 -3.323 -14.936 4.856 1.00 0.00 O ATOM 449 CB ALA A 31 -6.604 -13.742 3.888 1.00 0.00 C ATOM 0 H ALA A 31 -5.424 -11.704 3.335 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.224 -13.387 5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.040 -14.629 4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.234 -12.878 4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.536 -13.889 2.810 1.00 0.00 H new ATOM 455 N PHE A 32 -4.590 -15.448 3.138 1.00 0.00 N ATOM 456 CA PHE A 32 -3.736 -16.623 2.804 1.00 0.00 C ATOM 457 C PHE A 32 -3.320 -16.575 1.332 1.00 0.00 C ATOM 458 O PHE A 32 -3.327 -17.575 0.643 1.00 0.00 O ATOM 459 CB PHE A 32 -4.619 -17.842 3.072 1.00 0.00 C ATOM 460 CG PHE A 32 -5.030 -17.856 4.525 1.00 0.00 C ATOM 461 CD1 PHE A 32 -4.058 -17.968 5.526 1.00 0.00 C ATOM 462 CD2 PHE A 32 -6.383 -17.756 4.871 1.00 0.00 C ATOM 463 CE1 PHE A 32 -4.439 -17.981 6.873 1.00 0.00 C ATOM 464 CE2 PHE A 32 -6.764 -17.769 6.218 1.00 0.00 C ATOM 465 CZ PHE A 32 -5.792 -17.882 7.219 1.00 0.00 C ATOM 0 H PHE A 32 -5.387 -15.299 2.519 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.818 -16.646 3.391 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.502 -17.812 2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.079 -18.757 2.827 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.014 -18.044 5.259 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.133 -17.669 4.099 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.689 -18.067 7.645 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.808 -17.692 6.485 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.086 -17.893 8.258 1.00 0.00 H new ATOM 475 N CYS A 33 -2.957 -15.419 0.844 1.00 0.00 N ATOM 476 CA CYS A 33 -2.541 -15.311 -0.583 1.00 0.00 C ATOM 477 C CYS A 33 -3.488 -16.122 -1.468 1.00 0.00 C ATOM 478 O CYS A 33 -3.077 -17.023 -2.171 1.00 0.00 O ATOM 479 CB CYS A 33 -1.130 -15.898 -0.627 1.00 0.00 C ATOM 480 SG CYS A 33 -0.286 -15.323 -2.120 1.00 0.00 S ATOM 0 H CYS A 33 -2.931 -14.546 1.372 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.566 -14.284 -0.947 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.571 -15.597 0.259 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.177 -16.987 -0.619 1.00 0.00 H new ATOM 485 N SER A 34 -4.754 -15.813 -1.434 1.00 0.00 N ATOM 486 CA SER A 34 -5.723 -16.578 -2.273 1.00 0.00 C ATOM 487 C SER A 34 -7.107 -15.919 -2.254 1.00 0.00 C ATOM 488 O SER A 34 -8.110 -16.563 -2.492 1.00 0.00 O ATOM 489 CB SER A 34 -5.784 -17.964 -1.635 1.00 0.00 C ATOM 490 OG SER A 34 -5.870 -18.949 -2.656 1.00 0.00 O ATOM 0 H SER A 34 -5.160 -15.069 -0.866 1.00 0.00 H new ATOM 0 HA SER A 34 -5.414 -16.615 -3.318 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.898 -18.134 -1.023 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.647 -18.034 -0.973 1.00 0.00 H new ATOM 0 HG SER A 34 -5.908 -19.840 -2.249 1.00 0.00 H new ATOM 496 N SER A 35 -7.175 -14.646 -1.978 1.00 0.00 N ATOM 497 CA SER A 35 -8.502 -13.964 -1.953 1.00 0.00 C ATOM 498 C SER A 35 -8.747 -13.254 -3.285 1.00 0.00 C ATOM 499 O SER A 35 -9.597 -13.642 -4.062 1.00 0.00 O ATOM 500 CB SER A 35 -8.405 -12.949 -0.815 1.00 0.00 C ATOM 501 OG SER A 35 -9.662 -12.864 -0.155 1.00 0.00 O ATOM 0 H SER A 35 -6.374 -14.050 -1.769 1.00 0.00 H new ATOM 0 HA SER A 35 -9.326 -14.662 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.630 -13.249 -0.110 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.119 -11.972 -1.206 1.00 0.00 H new ATOM 0 HG SER A 35 -9.604 -12.215 0.577 1.00 0.00 H new ATOM 507 N ARG A 36 -8.002 -12.221 -3.554 1.00 0.00 N ATOM 508 CA ARG A 36 -8.175 -11.480 -4.835 1.00 0.00 C ATOM 509 C ARG A 36 -6.827 -10.913 -5.281 1.00 0.00 C ATOM 510 O ARG A 36 -6.686 -9.729 -5.517 1.00 0.00 O ATOM 511 CB ARG A 36 -9.153 -10.350 -4.513 1.00 0.00 C ATOM 512 CG ARG A 36 -10.573 -10.783 -4.883 1.00 0.00 C ATOM 513 CD ARG A 36 -10.781 -10.619 -6.391 1.00 0.00 C ATOM 514 NE ARG A 36 -11.842 -11.605 -6.742 1.00 0.00 N ATOM 515 CZ ARG A 36 -12.131 -11.835 -7.994 1.00 0.00 C ATOM 516 NH1 ARG A 36 -11.288 -11.502 -8.932 1.00 0.00 N ATOM 517 NH2 ARG A 36 -13.265 -12.400 -8.308 1.00 0.00 N ATOM 0 H ARG A 36 -7.276 -11.855 -2.939 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.545 -12.114 -5.641 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.102 -10.101 -3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.880 -9.450 -5.065 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.735 -11.821 -4.594 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.301 -10.183 -4.337 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.088 -9.603 -6.639 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.861 -10.817 -6.940 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.342 -12.100 -6.004 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.401 -11.061 -8.688 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.516 -11.683 -9.910 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.925 -12.661 -7.575 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.492 -12.580 -9.286 1.00 0.00 H new ATOM 531 N GLY A 37 -5.830 -11.748 -5.380 1.00 0.00 N ATOM 532 CA GLY A 37 -4.487 -11.256 -5.791 1.00 0.00 C ATOM 533 C GLY A 37 -3.795 -10.647 -4.572 1.00 0.00 C ATOM 534 O GLY A 37 -4.185 -10.886 -3.446 1.00 0.00 O ATOM 0 H GLY A 37 -5.888 -12.749 -5.194 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.891 -12.075 -6.194 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.583 -10.512 -6.582 1.00 0.00 H new ATOM 538 N LYS A 38 -2.794 -9.841 -4.779 1.00 0.00 N ATOM 539 CA LYS A 38 -2.114 -9.202 -3.625 1.00 0.00 C ATOM 540 C LYS A 38 -2.769 -7.843 -3.387 1.00 0.00 C ATOM 541 O LYS A 38 -3.311 -7.247 -4.296 1.00 0.00 O ATOM 542 CB LYS A 38 -0.615 -9.029 -3.987 1.00 0.00 C ATOM 543 CG LYS A 38 -0.275 -9.632 -5.351 1.00 0.00 C ATOM 544 CD LYS A 38 1.229 -9.506 -5.600 1.00 0.00 C ATOM 545 CE LYS A 38 1.720 -10.723 -6.389 1.00 0.00 C ATOM 546 NZ LYS A 38 2.631 -11.444 -5.456 1.00 0.00 N ATOM 0 H LYS A 38 -2.419 -9.598 -5.696 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.197 -9.805 -2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.364 -7.968 -3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.001 -9.501 -3.220 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.574 -10.680 -5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.829 -9.119 -6.137 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.441 -8.591 -6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.761 -9.436 -4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.888 -11.356 -6.696 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.243 -10.421 -7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.713 -12.438 -5.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.571 -10.999 -5.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.246 -11.399 -4.491 1.00 0.00 H new ATOM 560 N VAL A 39 -2.716 -7.332 -2.196 1.00 0.00 N ATOM 561 CA VAL A 39 -3.329 -6.004 -1.953 1.00 0.00 C ATOM 562 C VAL A 39 -2.503 -4.964 -2.709 1.00 0.00 C ATOM 563 O VAL A 39 -1.909 -5.248 -3.729 1.00 0.00 O ATOM 564 CB VAL A 39 -3.226 -5.765 -0.433 1.00 0.00 C ATOM 565 CG1 VAL A 39 -4.296 -4.767 0.013 1.00 0.00 C ATOM 566 CG2 VAL A 39 -3.426 -7.076 0.336 1.00 0.00 C ATOM 0 H VAL A 39 -2.279 -7.771 -1.386 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.365 -5.943 -2.285 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.233 -5.369 -0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.216 -4.604 1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.152 -3.821 -0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.284 -5.164 -0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.349 -6.885 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.411 -7.484 0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.660 -7.792 0.039 1.00 0.00 H new ATOM 576 N VAL A 40 -2.434 -3.783 -2.196 1.00 0.00 N ATOM 577 CA VAL A 40 -1.624 -2.719 -2.834 1.00 0.00 C ATOM 578 C VAL A 40 -1.253 -1.759 -1.729 1.00 0.00 C ATOM 579 O VAL A 40 -1.999 -0.865 -1.381 1.00 0.00 O ATOM 580 CB VAL A 40 -2.517 -2.055 -3.869 1.00 0.00 C ATOM 581 CG1 VAL A 40 -1.865 -0.748 -4.308 1.00 0.00 C ATOM 582 CG2 VAL A 40 -2.662 -2.981 -5.077 1.00 0.00 C ATOM 0 H VAL A 40 -2.914 -3.499 -1.342 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.720 -3.080 -3.324 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.501 -1.857 -3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.495 -0.259 -5.052 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.747 -0.093 -3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.887 -0.957 -4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.302 -2.509 -5.823 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.680 -3.171 -5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.108 -3.924 -4.761 1.00 0.00 H new ATOM 592 N GLU A 41 -0.143 -1.993 -1.118 1.00 0.00 N ATOM 593 CA GLU A 41 0.241 -1.157 0.037 1.00 0.00 C ATOM 594 C GLU A 41 1.486 -0.316 -0.246 1.00 0.00 C ATOM 595 O GLU A 41 2.602 -0.764 -0.083 1.00 0.00 O ATOM 596 CB GLU A 41 0.497 -2.179 1.144 1.00 0.00 C ATOM 597 CG GLU A 41 -0.621 -3.229 1.138 1.00 0.00 C ATOM 598 CD GLU A 41 -1.968 -2.538 1.359 1.00 0.00 C ATOM 599 OE1 GLU A 41 -2.306 -2.296 2.506 1.00 0.00 O ATOM 600 OE2 GLU A 41 -2.639 -2.263 0.378 1.00 0.00 O ATOM 0 H GLU A 41 0.519 -2.728 -1.366 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.527 -0.428 0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.463 -2.660 0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.537 -1.680 2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.626 -3.765 0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.446 -3.967 1.920 1.00 0.00 H new ATOM 607 N LEU A 42 1.297 0.913 -0.644 1.00 0.00 N ATOM 608 CA LEU A 42 2.465 1.800 -0.910 1.00 0.00 C ATOM 609 C LEU A 42 2.789 2.582 0.362 1.00 0.00 C ATOM 610 O LEU A 42 2.317 2.261 1.434 1.00 0.00 O ATOM 611 CB LEU A 42 2.044 2.788 -2.014 1.00 0.00 C ATOM 612 CG LEU A 42 0.830 2.283 -2.795 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.435 2.896 -2.200 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.959 2.720 -4.251 1.00 0.00 C ATOM 0 H LEU A 42 0.384 1.341 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 42 3.338 1.223 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.812 3.755 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.877 2.945 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 42 0.777 1.196 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.306 2.541 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.524 2.603 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.380 3.982 -2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.097 2.364 -4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.002 3.808 -4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.870 2.301 -4.677 1.00 0.00 H new ATOM 626 N GLY A 43 3.571 3.617 0.252 1.00 0.00 N ATOM 627 CA GLY A 43 3.894 4.425 1.468 1.00 0.00 C ATOM 628 C GLY A 43 5.223 5.156 1.281 1.00 0.00 C ATOM 629 O GLY A 43 5.507 5.683 0.227 1.00 0.00 O ATOM 0 H GLY A 43 3.999 3.940 -0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.098 5.146 1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.948 3.775 2.341 1.00 0.00 H new ATOM 633 N CYS A 44 6.035 5.212 2.301 1.00 0.00 N ATOM 634 CA CYS A 44 7.332 5.920 2.175 1.00 0.00 C ATOM 635 C CYS A 44 8.490 4.937 2.342 1.00 0.00 C ATOM 636 O CYS A 44 8.326 3.848 2.856 1.00 0.00 O ATOM 637 CB CYS A 44 7.341 6.929 3.315 1.00 0.00 C ATOM 638 SG CYS A 44 5.763 7.814 3.372 1.00 0.00 S ATOM 0 H CYS A 44 5.853 4.797 3.215 1.00 0.00 H new ATOM 0 HA CYS A 44 7.447 6.393 1.200 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.515 6.418 4.262 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.159 7.636 3.179 1.00 0.00 H new ATOM 643 N ALA A 45 9.658 5.317 1.918 1.00 0.00 N ATOM 644 CA ALA A 45 10.829 4.419 2.053 1.00 0.00 C ATOM 645 C ALA A 45 12.120 5.198 1.797 1.00 0.00 C ATOM 646 O ALA A 45 12.187 6.043 0.923 1.00 0.00 O ATOM 647 CB ALA A 45 10.631 3.334 0.995 1.00 0.00 C ATOM 0 H ALA A 45 9.852 6.218 1.481 1.00 0.00 H new ATOM 0 HA ALA A 45 10.909 3.993 3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.462 2.630 1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.698 2.805 1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.591 3.792 0.007 1.00 0.00 H new ATOM 653 N ALA A 46 13.145 4.925 2.558 1.00 0.00 N ATOM 654 CA ALA A 46 14.430 5.651 2.363 1.00 0.00 C ATOM 655 C ALA A 46 15.017 5.312 0.992 1.00 0.00 C ATOM 656 O ALA A 46 15.706 6.106 0.383 1.00 0.00 O ATOM 657 CB ALA A 46 15.344 5.144 3.479 1.00 0.00 C ATOM 0 H ALA A 46 13.147 4.231 3.305 1.00 0.00 H new ATOM 0 HA ALA A 46 14.307 6.733 2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.315 5.633 3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.897 5.371 4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.473 4.066 3.382 1.00 0.00 H new ATOM 663 N THR A 47 14.745 4.133 0.504 1.00 0.00 N ATOM 664 CA THR A 47 15.281 3.731 -0.827 1.00 0.00 C ATOM 665 C THR A 47 14.567 2.469 -1.316 1.00 0.00 C ATOM 666 O THR A 47 14.152 1.637 -0.534 1.00 0.00 O ATOM 667 CB THR A 47 16.765 3.450 -0.588 1.00 0.00 C ATOM 668 OG1 THR A 47 16.955 3.037 0.758 1.00 0.00 O ATOM 669 CG2 THR A 47 17.576 4.718 -0.856 1.00 0.00 C ATOM 0 H THR A 47 14.173 3.429 0.971 1.00 0.00 H new ATOM 0 HA THR A 47 15.131 4.499 -1.586 1.00 0.00 H new ATOM 0 HB THR A 47 17.100 2.661 -1.261 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.905 2.855 0.913 1.00 0.00 H new ATOM 0 HG21 THR A 47 18.634 4.516 -0.685 1.00 0.00 H new ATOM 0 HG22 THR A 47 17.429 5.033 -1.889 1.00 0.00 H new ATOM 0 HG23 THR A 47 17.245 5.510 -0.185 1.00 0.00 H new ATOM 677 N CYS A 48 14.417 2.323 -2.603 1.00 0.00 N ATOM 678 CA CYS A 48 13.726 1.116 -3.140 1.00 0.00 C ATOM 679 C CYS A 48 14.182 -0.138 -2.391 1.00 0.00 C ATOM 680 O CYS A 48 15.276 -0.623 -2.599 1.00 0.00 O ATOM 681 CB CYS A 48 14.142 1.043 -4.608 1.00 0.00 C ATOM 682 SG CYS A 48 12.690 1.303 -5.656 1.00 0.00 S ATOM 0 H CYS A 48 14.742 2.986 -3.306 1.00 0.00 H new ATOM 0 HA CYS A 48 12.644 1.176 -3.023 1.00 0.00 H new ATOM 0 HB2 CYS A 48 14.898 1.798 -4.821 1.00 0.00 H new ATOM 0 HB3 CYS A 48 14.591 0.073 -4.823 1.00 0.00 H new ATOM 687 N PRO A 49 13.318 -0.622 -1.541 1.00 0.00 N ATOM 688 CA PRO A 49 13.628 -1.836 -0.750 1.00 0.00 C ATOM 689 C PRO A 49 13.537 -3.083 -1.636 1.00 0.00 C ATOM 690 O PRO A 49 12.727 -3.158 -2.538 1.00 0.00 O ATOM 691 CB PRO A 49 12.547 -1.847 0.327 1.00 0.00 C ATOM 692 CG PRO A 49 11.406 -1.070 -0.252 1.00 0.00 C ATOM 693 CD PRO A 49 11.984 -0.090 -1.242 1.00 0.00 C ATOM 0 HA PRO A 49 14.634 -1.834 -0.332 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.246 -2.866 0.572 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.906 -1.391 1.249 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.697 -1.737 -0.742 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.861 -0.546 0.533 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.371 -0.024 -2.141 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.041 0.914 -0.821 1.00 0.00 H new ATOM 701 N SER A 50 14.367 -4.059 -1.389 1.00 0.00 N ATOM 702 CA SER A 50 14.333 -5.297 -2.222 1.00 0.00 C ATOM 703 C SER A 50 13.299 -6.286 -1.676 1.00 0.00 C ATOM 704 O SER A 50 12.597 -6.006 -0.725 1.00 0.00 O ATOM 705 CB SER A 50 15.741 -5.882 -2.115 1.00 0.00 C ATOM 706 OG SER A 50 16.693 -4.870 -2.417 1.00 0.00 O ATOM 0 H SER A 50 15.067 -4.054 -0.647 1.00 0.00 H new ATOM 0 HA SER A 50 14.051 -5.088 -3.254 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.911 -6.270 -1.111 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.853 -6.720 -2.803 1.00 0.00 H new ATOM 0 HG SER A 50 17.598 -5.241 -2.348 1.00 0.00 H new ATOM 712 N LYS A 51 13.203 -7.441 -2.276 1.00 0.00 N ATOM 713 CA LYS A 51 12.218 -8.455 -1.802 1.00 0.00 C ATOM 714 C LYS A 51 12.827 -9.856 -1.885 1.00 0.00 C ATOM 715 O LYS A 51 14.012 -10.016 -2.097 1.00 0.00 O ATOM 716 CB LYS A 51 11.032 -8.329 -2.758 1.00 0.00 C ATOM 717 CG LYS A 51 11.469 -8.727 -4.169 1.00 0.00 C ATOM 718 CD LYS A 51 10.590 -8.013 -5.198 1.00 0.00 C ATOM 719 CE LYS A 51 11.098 -6.584 -5.401 1.00 0.00 C ATOM 720 NZ LYS A 51 10.829 -6.281 -6.835 1.00 0.00 N ATOM 0 H LYS A 51 13.766 -7.727 -3.077 1.00 0.00 H new ATOM 0 HA LYS A 51 11.924 -8.296 -0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.214 -8.968 -2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.658 -7.305 -2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.515 -8.464 -4.324 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.390 -9.807 -4.294 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.607 -8.554 -6.144 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.554 -7.997 -4.859 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.580 -5.884 -4.745 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.161 -6.507 -5.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.150 -5.316 -7.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.340 -6.959 -7.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.808 -6.356 -7.020 1.00 0.00 H new ATOM 734 N LYS A 52 12.027 -10.874 -1.722 1.00 0.00 N ATOM 735 CA LYS A 52 12.570 -12.261 -1.796 1.00 0.00 C ATOM 736 C LYS A 52 11.447 -13.272 -2.057 1.00 0.00 C ATOM 737 O LYS A 52 11.430 -13.919 -3.085 1.00 0.00 O ATOM 738 CB LYS A 52 13.218 -12.511 -0.433 1.00 0.00 C ATOM 739 CG LYS A 52 14.739 -12.542 -0.588 1.00 0.00 C ATOM 740 CD LYS A 52 15.396 -12.279 0.768 1.00 0.00 C ATOM 741 CE LYS A 52 16.604 -13.203 0.940 1.00 0.00 C ATOM 742 NZ LYS A 52 17.494 -12.891 -0.213 1.00 0.00 N ATOM 0 H LYS A 52 11.025 -10.807 -1.542 1.00 0.00 H new ATOM 0 HA LYS A 52 13.283 -12.375 -2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.929 -11.728 0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.865 -13.455 -0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.056 -13.510 -0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.057 -11.790 -1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.709 -11.237 0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.678 -12.449 1.570 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.109 -13.021 1.889 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.304 -14.251 0.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.480 -13.101 0.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.218 -13.470 -1.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.406 -11.884 -0.457 1.00 0.00 H new ATOM 756 N PRO A 53 10.545 -13.386 -1.115 1.00 0.00 N ATOM 757 CA PRO A 53 9.421 -14.343 -1.261 1.00 0.00 C ATOM 758 C PRO A 53 8.411 -13.836 -2.304 1.00 0.00 C ATOM 759 O PRO A 53 8.507 -14.151 -3.473 1.00 0.00 O ATOM 760 CB PRO A 53 8.811 -14.386 0.136 1.00 0.00 C ATOM 761 CG PRO A 53 9.172 -13.079 0.761 1.00 0.00 C ATOM 762 CD PRO A 53 10.482 -12.652 0.157 1.00 0.00 C ATOM 0 HA PRO A 53 9.732 -15.327 -1.611 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.730 -14.515 0.090 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.207 -15.221 0.713 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.399 -12.334 0.572 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.260 -13.180 1.843 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.515 -11.574 -0.002 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.321 -12.904 0.805 1.00 0.00 H new ATOM 770 N TYR A 54 7.446 -13.056 -1.894 1.00 0.00 N ATOM 771 CA TYR A 54 6.436 -12.535 -2.870 1.00 0.00 C ATOM 772 C TYR A 54 6.222 -11.033 -2.665 1.00 0.00 C ATOM 773 O TYR A 54 5.327 -10.441 -3.236 1.00 0.00 O ATOM 774 CB TYR A 54 5.145 -13.295 -2.554 1.00 0.00 C ATOM 775 CG TYR A 54 4.930 -13.286 -1.062 1.00 0.00 C ATOM 776 CD1 TYR A 54 5.545 -14.256 -0.273 1.00 0.00 C ATOM 777 CD2 TYR A 54 4.140 -12.296 -0.467 1.00 0.00 C ATOM 778 CE1 TYR A 54 5.378 -14.245 1.113 1.00 0.00 C ATOM 779 CE2 TYR A 54 3.965 -12.284 0.922 1.00 0.00 C ATOM 780 CZ TYR A 54 4.586 -13.259 1.713 1.00 0.00 C ATOM 781 OH TYR A 54 4.420 -13.245 3.083 1.00 0.00 O ATOM 0 H TYR A 54 7.311 -12.756 -0.928 1.00 0.00 H new ATOM 0 HA TYR A 54 6.757 -12.677 -3.902 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.299 -12.830 -3.060 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.211 -14.320 -2.920 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.153 -15.019 -0.735 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.666 -11.542 -1.078 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.859 -14.996 1.722 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.352 -11.524 1.383 1.00 0.00 H new ATOM 0 HH TYR A 54 3.842 -12.495 3.335 1.00 0.00 H new ATOM 791 N GLU A 55 7.027 -10.413 -1.849 1.00 0.00 N ATOM 792 CA GLU A 55 6.858 -8.951 -1.603 1.00 0.00 C ATOM 793 C GLU A 55 7.337 -8.141 -2.811 1.00 0.00 C ATOM 794 O GLU A 55 8.513 -7.879 -2.968 1.00 0.00 O ATOM 795 CB GLU A 55 7.726 -8.654 -0.381 1.00 0.00 C ATOM 796 CG GLU A 55 6.836 -8.532 0.858 1.00 0.00 C ATOM 797 CD GLU A 55 7.677 -8.067 2.048 1.00 0.00 C ATOM 798 OE1 GLU A 55 8.530 -7.218 1.849 1.00 0.00 O ATOM 799 OE2 GLU A 55 7.454 -8.568 3.137 1.00 0.00 O ATOM 0 H GLU A 55 7.794 -10.853 -1.341 1.00 0.00 H new ATOM 0 HA GLU A 55 5.814 -8.682 -1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.458 -9.449 -0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.284 -7.730 -0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.029 -7.823 0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.371 -9.493 1.081 1.00 0.00 H new ATOM 806 N GLU A 56 6.434 -7.732 -3.660 1.00 0.00 N ATOM 807 CA GLU A 56 6.838 -6.929 -4.849 1.00 0.00 C ATOM 808 C GLU A 56 6.748 -5.438 -4.517 1.00 0.00 C ATOM 809 O GLU A 56 5.727 -4.809 -4.713 1.00 0.00 O ATOM 810 CB GLU A 56 5.835 -7.300 -5.941 1.00 0.00 C ATOM 811 CG GLU A 56 6.544 -8.095 -7.039 1.00 0.00 C ATOM 812 CD GLU A 56 5.942 -9.499 -7.123 1.00 0.00 C ATOM 813 OE1 GLU A 56 5.288 -9.899 -6.175 1.00 0.00 O ATOM 814 OE2 GLU A 56 6.145 -10.149 -8.135 1.00 0.00 O ATOM 0 H GLU A 56 5.434 -7.919 -3.582 1.00 0.00 H new ATOM 0 HA GLU A 56 7.863 -7.130 -5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.022 -7.890 -5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.389 -6.398 -6.361 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.440 -7.585 -7.997 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.611 -8.158 -6.826 1.00 0.00 H new ATOM 821 N VAL A 57 7.804 -4.871 -4.004 1.00 0.00 N ATOM 822 CA VAL A 57 7.772 -3.425 -3.646 1.00 0.00 C ATOM 823 C VAL A 57 8.109 -2.557 -4.860 1.00 0.00 C ATOM 824 O VAL A 57 8.700 -3.010 -5.820 1.00 0.00 O ATOM 825 CB VAL A 57 8.837 -3.263 -2.563 1.00 0.00 C ATOM 826 CG1 VAL A 57 8.689 -1.891 -1.903 1.00 0.00 C ATOM 827 CG2 VAL A 57 8.660 -4.359 -1.511 1.00 0.00 C ATOM 0 H VAL A 57 8.687 -5.346 -3.817 1.00 0.00 H new ATOM 0 HA VAL A 57 6.785 -3.113 -3.305 1.00 0.00 H new ATOM 0 HB VAL A 57 9.828 -3.344 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.449 -1.775 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.813 -1.111 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.699 -1.808 -1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.419 -4.246 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.670 -4.277 -1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.765 -5.336 -1.982 1.00 0.00 H new ATOM 837 N THR A 58 7.744 -1.305 -4.813 1.00 0.00 N ATOM 838 CA THR A 58 8.046 -0.389 -5.948 1.00 0.00 C ATOM 839 C THR A 58 8.445 0.977 -5.392 1.00 0.00 C ATOM 840 O THR A 58 8.426 1.190 -4.198 1.00 0.00 O ATOM 841 CB THR A 58 6.747 -0.294 -6.750 1.00 0.00 C ATOM 842 OG1 THR A 58 6.006 -1.496 -6.589 1.00 0.00 O ATOM 843 CG2 THR A 58 7.072 -0.088 -8.230 1.00 0.00 C ATOM 0 H THR A 58 7.247 -0.876 -4.033 1.00 0.00 H new ATOM 0 HA THR A 58 8.867 -0.743 -6.572 1.00 0.00 H new ATOM 0 HB THR A 58 6.158 0.549 -6.390 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.387 -1.400 -5.835 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.145 -0.021 -8.800 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.641 0.833 -8.353 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.661 -0.930 -8.594 1.00 0.00 H new ATOM 851 N CYS A 59 8.808 1.906 -6.228 1.00 0.00 N ATOM 852 CA CYS A 59 9.204 3.241 -5.698 1.00 0.00 C ATOM 853 C CYS A 59 8.364 4.352 -6.295 1.00 0.00 C ATOM 854 O CYS A 59 7.482 4.136 -7.103 1.00 0.00 O ATOM 855 CB CYS A 59 10.640 3.460 -6.148 1.00 0.00 C ATOM 856 SG CYS A 59 11.784 2.921 -4.855 1.00 0.00 S ATOM 0 H CYS A 59 8.848 1.804 -7.242 1.00 0.00 H new ATOM 0 HA CYS A 59 9.075 3.260 -4.616 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.830 2.906 -7.067 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.803 4.514 -6.372 1.00 0.00 H new ATOM 861 N CYS A 60 8.679 5.551 -5.917 1.00 0.00 N ATOM 862 CA CYS A 60 7.965 6.723 -6.464 1.00 0.00 C ATOM 863 C CYS A 60 8.681 8.009 -6.046 1.00 0.00 C ATOM 864 O CYS A 60 9.174 8.121 -4.944 1.00 0.00 O ATOM 865 CB CYS A 60 6.559 6.659 -5.876 1.00 0.00 C ATOM 866 SG CYS A 60 5.413 6.086 -7.151 1.00 0.00 S ATOM 0 H CYS A 60 9.412 5.770 -5.242 1.00 0.00 H new ATOM 0 HA CYS A 60 7.934 6.717 -7.554 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.539 5.983 -5.021 1.00 0.00 H new ATOM 0 HB3 CYS A 60 6.258 7.642 -5.513 1.00 0.00 H new ATOM 871 N SER A 61 8.753 8.977 -6.917 1.00 0.00 N ATOM 872 CA SER A 61 9.451 10.245 -6.556 1.00 0.00 C ATOM 873 C SER A 61 8.580 11.454 -6.906 1.00 0.00 C ATOM 874 O SER A 61 8.997 12.588 -6.778 1.00 0.00 O ATOM 875 CB SER A 61 10.727 10.246 -7.395 1.00 0.00 C ATOM 876 OG SER A 61 10.446 9.700 -8.677 1.00 0.00 O ATOM 0 H SER A 61 8.361 8.947 -7.858 1.00 0.00 H new ATOM 0 HA SER A 61 9.662 10.307 -5.488 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.109 11.262 -7.495 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.502 9.661 -6.900 1.00 0.00 H new ATOM 0 HG SER A 61 11.263 9.701 -9.219 1.00 0.00 H new ATOM 882 N THR A 62 7.375 11.224 -7.348 1.00 0.00 N ATOM 883 CA THR A 62 6.483 12.365 -7.706 1.00 0.00 C ATOM 884 C THR A 62 5.338 12.480 -6.696 1.00 0.00 C ATOM 885 O THR A 62 4.943 11.511 -6.078 1.00 0.00 O ATOM 886 CB THR A 62 5.942 12.023 -9.095 1.00 0.00 C ATOM 887 OG1 THR A 62 6.795 11.068 -9.711 1.00 0.00 O ATOM 888 CG2 THR A 62 5.889 13.289 -9.952 1.00 0.00 C ATOM 0 H THR A 62 6.969 10.297 -7.477 1.00 0.00 H new ATOM 0 HA THR A 62 7.009 13.319 -7.697 1.00 0.00 H new ATOM 0 HB THR A 62 4.938 11.609 -9.002 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.449 10.846 -10.601 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.503 13.043 -10.941 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.235 14.021 -9.479 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.891 13.706 -10.047 1.00 0.00 H new ATOM 896 N ASP A 63 4.801 13.658 -6.523 1.00 0.00 N ATOM 897 CA ASP A 63 3.682 13.831 -5.554 1.00 0.00 C ATOM 898 C ASP A 63 2.513 12.918 -5.934 1.00 0.00 C ATOM 899 O ASP A 63 2.195 12.752 -7.095 1.00 0.00 O ATOM 900 CB ASP A 63 3.277 15.301 -5.675 1.00 0.00 C ATOM 901 CG ASP A 63 4.309 16.177 -4.960 1.00 0.00 C ATOM 902 OD1 ASP A 63 5.381 15.674 -4.665 1.00 0.00 O ATOM 903 OD2 ASP A 63 4.009 17.335 -4.721 1.00 0.00 O ATOM 0 H ASP A 63 5.089 14.507 -7.010 1.00 0.00 H new ATOM 0 HA ASP A 63 3.971 13.572 -4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.209 15.585 -6.725 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.290 15.454 -5.239 1.00 0.00 H new ATOM 908 N LYS A 64 1.872 12.323 -4.966 1.00 0.00 N ATOM 909 CA LYS A 64 0.726 11.420 -5.277 1.00 0.00 C ATOM 910 C LYS A 64 1.153 10.362 -6.298 1.00 0.00 C ATOM 911 O LYS A 64 0.426 10.043 -7.218 1.00 0.00 O ATOM 912 CB LYS A 64 -0.350 12.333 -5.867 1.00 0.00 C ATOM 913 CG LYS A 64 -1.734 11.808 -5.479 1.00 0.00 C ATOM 914 CD LYS A 64 -2.698 12.984 -5.307 1.00 0.00 C ATOM 915 CE LYS A 64 -4.070 12.461 -4.874 1.00 0.00 C ATOM 916 NZ LYS A 64 -4.953 13.661 -4.865 1.00 0.00 N ATOM 0 H LYS A 64 2.091 12.422 -3.975 1.00 0.00 H new ATOM 0 HA LYS A 64 0.368 10.887 -4.396 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.219 13.351 -5.500 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.255 12.371 -6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.105 11.129 -6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.671 11.237 -4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.311 13.679 -4.562 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.786 13.536 -6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.440 11.704 -5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.023 11.998 -3.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.913 13.383 -4.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.580 14.362 -4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.984 14.077 -5.818 1.00 0.00 H new ATOM 930 N CYS A 65 2.328 9.818 -6.143 1.00 0.00 N ATOM 931 CA CYS A 65 2.806 8.781 -7.102 1.00 0.00 C ATOM 932 C CYS A 65 2.405 7.387 -6.619 1.00 0.00 C ATOM 933 O CYS A 65 2.735 6.392 -7.230 1.00 0.00 O ATOM 934 CB CYS A 65 4.330 8.923 -7.112 1.00 0.00 C ATOM 935 SG CYS A 65 5.044 7.729 -8.272 1.00 0.00 S ATOM 0 H CYS A 65 2.980 10.047 -5.392 1.00 0.00 H new ATOM 0 HA CYS A 65 2.376 8.910 -8.095 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.609 9.937 -7.400 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.728 8.755 -6.111 1.00 0.00 H new ATOM 940 N ASN A 66 1.698 7.299 -5.526 1.00 0.00 N ATOM 941 CA ASN A 66 1.303 5.956 -5.017 1.00 0.00 C ATOM 942 C ASN A 66 -0.176 5.592 -5.303 1.00 0.00 C ATOM 943 O ASN A 66 -0.732 4.780 -4.592 1.00 0.00 O ATOM 944 CB ASN A 66 1.529 6.048 -3.508 1.00 0.00 C ATOM 945 CG ASN A 66 2.938 5.565 -3.167 1.00 0.00 C ATOM 946 OD1 ASN A 66 3.206 5.189 -2.046 1.00 0.00 O ATOM 947 ND2 ASN A 66 3.860 5.570 -4.087 1.00 0.00 N ATOM 0 H ASN A 66 1.379 8.091 -4.968 1.00 0.00 H new ATOM 0 HA ASN A 66 1.883 5.177 -5.511 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.396 7.077 -3.173 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.790 5.443 -2.982 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.805 5.258 -3.864 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.637 5.886 -5.031 1.00 0.00 H new ATOM 954 N PRO A 67 -0.784 6.177 -6.313 1.00 0.00 N ATOM 955 CA PRO A 67 -2.196 5.845 -6.610 1.00 0.00 C ATOM 956 C PRO A 67 -2.269 4.539 -7.403 1.00 0.00 C ATOM 957 O PRO A 67 -2.388 4.548 -8.613 1.00 0.00 O ATOM 958 CB PRO A 67 -2.670 7.013 -7.466 1.00 0.00 C ATOM 959 CG PRO A 67 -1.433 7.560 -8.108 1.00 0.00 C ATOM 960 CD PRO A 67 -0.254 7.171 -7.251 1.00 0.00 C ATOM 0 HA PRO A 67 -2.802 5.706 -5.715 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.390 6.685 -8.216 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.166 7.770 -6.858 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.319 7.162 -9.117 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.498 8.644 -8.198 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.553 6.755 -7.854 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.154 8.034 -6.724 1.00 0.00 H new ATOM 968 N HIS A 68 -2.193 3.414 -6.745 1.00 0.00 N ATOM 969 CA HIS A 68 -2.254 2.130 -7.496 1.00 0.00 C ATOM 970 C HIS A 68 -3.411 2.175 -8.493 1.00 0.00 C ATOM 971 O HIS A 68 -4.380 2.878 -8.290 1.00 0.00 O ATOM 972 CB HIS A 68 -2.453 1.036 -6.444 1.00 0.00 C ATOM 973 CG HIS A 68 -3.775 1.199 -5.747 1.00 0.00 C ATOM 974 ND1 HIS A 68 -4.791 0.262 -5.863 1.00 0.00 N ATOM 975 CD2 HIS A 68 -4.255 2.168 -4.904 1.00 0.00 C ATOM 976 CE1 HIS A 68 -5.821 0.685 -5.115 1.00 0.00 C ATOM 977 NE2 HIS A 68 -5.550 1.844 -4.507 1.00 0.00 N ATOM 0 H HIS A 68 -2.093 3.329 -5.734 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.349 1.940 -8.073 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.406 0.056 -6.919 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.645 1.076 -5.714 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.711 3.049 -4.595 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.756 0.153 -5.016 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -6.160 2.376 -3.886 1.00 0.00 H new ATOM 985 N PRO A 69 -3.253 1.439 -9.556 1.00 0.00 N ATOM 986 CA PRO A 69 -4.277 1.411 -10.620 1.00 0.00 C ATOM 987 C PRO A 69 -5.417 0.466 -10.248 1.00 0.00 C ATOM 988 O PRO A 69 -5.411 -0.696 -10.605 1.00 0.00 O ATOM 989 CB PRO A 69 -3.512 0.888 -11.831 1.00 0.00 C ATOM 990 CG PRO A 69 -2.364 0.098 -11.274 1.00 0.00 C ATOM 991 CD PRO A 69 -2.116 0.566 -9.858 1.00 0.00 C ATOM 0 HA PRO A 69 -4.739 2.383 -10.795 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.149 0.264 -12.458 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.157 1.709 -12.455 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -2.593 -0.968 -11.288 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -1.472 0.241 -11.884 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.066 -0.274 -9.165 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.171 1.103 -9.777 1.00 0.00 H new ATOM 999 N LYS A 70 -6.401 0.948 -9.540 1.00 0.00 N ATOM 1000 CA LYS A 70 -7.531 0.057 -9.167 1.00 0.00 C ATOM 1001 C LYS A 70 -8.736 0.860 -8.681 1.00 0.00 C ATOM 1002 O LYS A 70 -9.422 0.470 -7.757 1.00 0.00 O ATOM 1003 CB LYS A 70 -6.989 -0.834 -8.056 1.00 0.00 C ATOM 1004 CG LYS A 70 -6.898 -2.269 -8.570 1.00 0.00 C ATOM 1005 CD LYS A 70 -8.265 -2.709 -9.104 1.00 0.00 C ATOM 1006 CE LYS A 70 -8.261 -2.689 -10.641 1.00 0.00 C ATOM 1007 NZ LYS A 70 -9.339 -1.730 -11.041 1.00 0.00 N ATOM 0 H LYS A 70 -6.470 1.910 -9.207 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.882 -0.522 -10.021 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.006 -0.485 -7.739 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.641 -0.787 -7.184 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.149 -2.337 -9.359 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.578 -2.934 -7.768 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.499 -3.712 -8.746 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.043 -2.046 -8.726 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.292 -2.370 -11.025 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.453 -3.683 -11.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.099 -2.246 -11.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.723 -1.266 -10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.944 -1.011 -11.680 1.00 0.00 H new ATOM 1021 N GLN A 71 -9.004 1.971 -9.301 1.00 0.00 N ATOM 1022 CA GLN A 71 -10.164 2.794 -8.891 1.00 0.00 C ATOM 1023 C GLN A 71 -11.438 2.286 -9.573 1.00 0.00 C ATOM 1024 O GLN A 71 -12.172 3.043 -10.177 1.00 0.00 O ATOM 1025 CB GLN A 71 -9.811 4.193 -9.379 1.00 0.00 C ATOM 1026 CG GLN A 71 -9.833 5.149 -8.200 1.00 0.00 C ATOM 1027 CD GLN A 71 -8.473 5.824 -8.073 1.00 0.00 C ATOM 1028 OE1 GLN A 71 -7.750 5.951 -9.042 1.00 0.00 O ATOM 1029 NE2 GLN A 71 -8.089 6.268 -6.913 1.00 0.00 N ATOM 0 H GLN A 71 -8.463 2.345 -10.081 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.353 2.762 -7.818 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.825 4.192 -9.844 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.522 4.517 -10.139 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.612 5.898 -8.339 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.071 4.609 -7.284 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.696 6.162 -6.100 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.181 6.723 -6.816 1.00 0.00 H new ATOM 1038 N ARG A 72 -11.709 1.010 -9.484 1.00 0.00 N ATOM 1039 CA ARG A 72 -12.937 0.467 -10.133 1.00 0.00 C ATOM 1040 C ARG A 72 -13.775 -0.309 -9.112 1.00 0.00 C ATOM 1041 O ARG A 72 -13.306 -1.261 -8.524 1.00 0.00 O ATOM 1042 CB ARG A 72 -12.427 -0.468 -11.230 1.00 0.00 C ATOM 1043 CG ARG A 72 -11.951 0.360 -12.425 1.00 0.00 C ATOM 1044 CD ARG A 72 -11.366 -0.569 -13.490 1.00 0.00 C ATOM 1045 NE ARG A 72 -12.143 -0.273 -14.726 1.00 0.00 N ATOM 1046 CZ ARG A 72 -11.830 -0.857 -15.850 1.00 0.00 C ATOM 1047 NH1 ARG A 72 -11.034 -1.892 -15.848 1.00 0.00 N ATOM 1048 NH2 ARG A 72 -12.313 -0.408 -16.976 1.00 0.00 N ATOM 0 H ARG A 72 -11.136 0.324 -8.992 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.574 1.255 -10.534 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.610 -1.081 -10.850 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.219 -1.150 -11.539 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.783 0.929 -12.841 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.200 1.082 -12.105 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.303 -0.381 -13.637 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.467 -1.615 -13.201 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.920 0.387 -14.694 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.657 -2.244 -14.968 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.789 -2.349 -16.727 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.936 0.400 -16.978 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.068 -0.865 -17.854 1.00 0.00 H new ATOM 1062 N PRO A 73 -14.992 0.130 -8.934 1.00 0.00 N ATOM 1063 CA PRO A 73 -15.907 -0.530 -7.970 1.00 0.00 C ATOM 1064 C PRO A 73 -16.372 -1.886 -8.510 1.00 0.00 C ATOM 1065 O PRO A 73 -16.060 -2.263 -9.622 1.00 0.00 O ATOM 1066 CB PRO A 73 -17.078 0.443 -7.867 1.00 0.00 C ATOM 1067 CG PRO A 73 -17.060 1.206 -9.152 1.00 0.00 C ATOM 1068 CD PRO A 73 -15.626 1.269 -9.607 1.00 0.00 C ATOM 0 HA PRO A 73 -15.439 -0.733 -7.007 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.021 -0.087 -7.736 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -16.964 1.108 -7.011 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -17.681 0.714 -9.901 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -17.464 2.208 -9.011 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -15.547 1.187 -10.691 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.158 2.212 -9.324 1.00 0.00 H new ATOM 1076 N GLY A 74 -17.116 -2.620 -7.729 1.00 0.00 N ATOM 1077 CA GLY A 74 -17.602 -3.949 -8.194 1.00 0.00 C ATOM 1078 C GLY A 74 -19.131 -3.962 -8.192 1.00 0.00 C ATOM 1079 O GLY A 74 -19.713 -2.906 -8.004 1.00 0.00 O ATOM 1080 OXT GLY A 74 -19.695 -5.028 -8.378 1.00 0.00 O ATOM 0 H GLY A 74 -17.408 -2.356 -6.788 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -17.227 -4.155 -9.197 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -17.220 -4.736 -7.543 1.00 0.00 H new TER 1084 GLY A 74 ATOM 1085 N MET B 1 -13.054 -4.566 3.059 1.00 0.00 N ATOM 1086 CA MET B 1 -12.396 -3.228 3.134 1.00 0.00 C ATOM 1087 C MET B 1 -10.917 -3.349 2.758 1.00 0.00 C ATOM 1088 O MET B 1 -10.093 -3.724 3.568 1.00 0.00 O ATOM 1089 CB MET B 1 -12.539 -2.794 4.594 1.00 0.00 C ATOM 1090 CG MET B 1 -12.411 -1.272 4.690 1.00 0.00 C ATOM 1091 SD MET B 1 -11.288 -0.847 6.045 1.00 0.00 S ATOM 1092 CE MET B 1 -12.533 -0.774 7.357 1.00 0.00 C ATOM 0 H1 MET B 1 -14.082 -4.454 3.165 1.00 0.00 H new ATOM 0 H2 MET B 1 -12.847 -5.004 2.139 1.00 0.00 H new ATOM 0 H3 MET B 1 -12.692 -5.174 3.821 1.00 0.00 H new ATOM 0 HA MET B 1 -12.845 -2.509 2.449 1.00 0.00 H new ATOM 0 HB2 MET B 1 -13.504 -3.114 4.986 1.00 0.00 H new ATOM 0 HB3 MET B 1 -11.773 -3.273 5.203 1.00 0.00 H new ATOM 0 HG2 MET B 1 -12.034 -0.868 3.750 1.00 0.00 H new ATOM 0 HG3 MET B 1 -13.390 -0.824 4.860 1.00 0.00 H new ATOM 0 HE1 MET B 1 -12.052 -0.521 8.302 1.00 0.00 H new ATOM 0 HE2 MET B 1 -13.275 -0.013 7.113 1.00 0.00 H new ATOM 0 HE3 MET B 1 -13.024 -1.743 7.447 1.00 0.00 H new ATOM 1104 N ARG B 2 -10.570 -3.035 1.539 1.00 0.00 N ATOM 1105 CA ARG B 2 -9.139 -3.139 1.135 1.00 0.00 C ATOM 1106 C ARG B 2 -8.861 -2.342 -0.131 1.00 0.00 C ATOM 1107 O ARG B 2 -9.700 -2.210 -1.001 1.00 0.00 O ATOM 1108 CB ARG B 2 -8.899 -4.627 0.841 1.00 0.00 C ATOM 1109 CG ARG B 2 -8.162 -5.269 2.017 1.00 0.00 C ATOM 1110 CD ARG B 2 -8.933 -6.504 2.491 1.00 0.00 C ATOM 1111 NE ARG B 2 -7.953 -7.280 3.301 1.00 0.00 N ATOM 1112 CZ ARG B 2 -7.476 -6.776 4.406 1.00 0.00 C ATOM 1113 NH1 ARG B 2 -6.471 -5.945 4.363 1.00 0.00 N ATOM 1114 NH2 ARG B 2 -8.004 -7.103 5.554 1.00 0.00 N ATOM 0 H ARG B 2 -11.209 -2.714 0.812 1.00 0.00 H new ATOM 0 HA ARG B 2 -8.491 -2.748 1.920 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -9.850 -5.133 0.674 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -8.314 -4.738 -0.072 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -7.153 -5.550 1.717 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.064 -4.553 2.833 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -9.802 -6.223 3.085 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -9.299 -7.089 1.647 1.00 0.00 H new ATOM 0 HE ARG B 2 -7.655 -8.205 2.992 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -6.059 -5.690 3.466 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -6.098 -5.551 5.227 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -8.790 -7.753 5.587 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -7.631 -6.709 6.418 1.00 0.00 H new ATOM 1128 N TYR B 3 -7.654 -1.887 -0.273 1.00 0.00 N ATOM 1129 CA TYR B 3 -7.267 -1.184 -1.520 1.00 0.00 C ATOM 1130 C TYR B 3 -6.577 -2.248 -2.333 1.00 0.00 C ATOM 1131 O TYR B 3 -5.453 -2.107 -2.769 1.00 0.00 O ATOM 1132 CB TYR B 3 -6.272 -0.072 -1.153 1.00 0.00 C ATOM 1133 CG TYR B 3 -6.394 0.291 0.306 1.00 0.00 C ATOM 1134 CD1 TYR B 3 -5.641 -0.409 1.255 1.00 0.00 C ATOM 1135 CD2 TYR B 3 -7.253 1.318 0.709 1.00 0.00 C ATOM 1136 CE1 TYR B 3 -5.748 -0.085 2.609 1.00 0.00 C ATOM 1137 CE2 TYR B 3 -7.360 1.644 2.065 1.00 0.00 C ATOM 1138 CZ TYR B 3 -6.607 0.942 3.016 1.00 0.00 C ATOM 1139 OH TYR B 3 -6.712 1.259 4.354 1.00 0.00 O ATOM 0 H TYR B 3 -6.915 -1.972 0.424 1.00 0.00 H new ATOM 0 HA TYR B 3 -8.103 -0.732 -2.054 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -5.255 -0.401 -1.367 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -6.459 0.808 -1.769 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -4.977 -1.200 0.940 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -7.832 1.858 -0.025 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -5.168 -0.627 3.342 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -8.023 2.437 2.379 1.00 0.00 H new ATOM 0 HH TYR B 3 -7.639 1.136 4.648 1.00 0.00 H new ATOM 1149 N TYR B 4 -7.243 -3.353 -2.470 1.00 0.00 N ATOM 1150 CA TYR B 4 -6.642 -4.495 -3.176 1.00 0.00 C ATOM 1151 C TYR B 4 -6.434 -4.180 -4.638 1.00 0.00 C ATOM 1152 O TYR B 4 -6.672 -3.089 -5.116 1.00 0.00 O ATOM 1153 CB TYR B 4 -7.668 -5.619 -3.052 1.00 0.00 C ATOM 1154 CG TYR B 4 -7.194 -6.667 -2.075 1.00 0.00 C ATOM 1155 CD1 TYR B 4 -6.664 -6.289 -0.837 1.00 0.00 C ATOM 1156 CD2 TYR B 4 -7.299 -8.022 -2.410 1.00 0.00 C ATOM 1157 CE1 TYR B 4 -6.237 -7.270 0.067 1.00 0.00 C ATOM 1158 CE2 TYR B 4 -6.871 -9.001 -1.508 1.00 0.00 C ATOM 1159 CZ TYR B 4 -6.340 -8.625 -0.269 1.00 0.00 C ATOM 1160 OH TYR B 4 -5.921 -9.591 0.620 1.00 0.00 O ATOM 0 H TYR B 4 -8.187 -3.510 -2.118 1.00 0.00 H new ATOM 0 HA TYR B 4 -5.669 -4.752 -2.756 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -8.623 -5.212 -2.721 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -7.836 -6.074 -4.028 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -6.584 -5.243 -0.579 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -7.711 -8.311 -3.366 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -5.828 -6.981 1.024 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -6.950 -10.046 -1.767 1.00 0.00 H new ATOM 0 HH TYR B 4 -5.052 -9.943 0.335 1.00 0.00 H new ATOM 1170 N GLU B 5 -5.991 -5.159 -5.336 1.00 0.00 N ATOM 1171 CA GLU B 5 -5.743 -4.999 -6.797 1.00 0.00 C ATOM 1172 C GLU B 5 -7.050 -5.190 -7.576 1.00 0.00 C ATOM 1173 O GLU B 5 -7.058 -5.276 -8.788 1.00 0.00 O ATOM 1174 CB GLU B 5 -4.726 -6.086 -7.145 1.00 0.00 C ATOM 1175 CG GLU B 5 -4.723 -6.331 -8.656 1.00 0.00 C ATOM 1176 CD GLU B 5 -3.361 -6.884 -9.080 1.00 0.00 C ATOM 1177 OE1 GLU B 5 -2.482 -6.087 -9.362 1.00 0.00 O ATOM 1178 OE2 GLU B 5 -3.220 -8.095 -9.114 1.00 0.00 O ATOM 0 H GLU B 5 -5.782 -6.085 -4.964 1.00 0.00 H new ATOM 0 HA GLU B 5 -5.371 -4.007 -7.054 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -3.732 -5.785 -6.814 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -4.972 -7.008 -6.619 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -5.512 -7.034 -8.923 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -4.931 -5.402 -9.186 1.00 0.00 H new ATOM 1185 N SER B 6 -8.158 -5.243 -6.885 1.00 0.00 N ATOM 1186 CA SER B 6 -9.469 -5.413 -7.578 1.00 0.00 C ATOM 1187 C SER B 6 -10.323 -4.150 -7.397 1.00 0.00 C ATOM 1188 O SER B 6 -11.415 -4.051 -7.918 1.00 0.00 O ATOM 1189 CB SER B 6 -10.129 -6.609 -6.893 1.00 0.00 C ATOM 1190 OG SER B 6 -10.158 -6.389 -5.489 1.00 0.00 O ATOM 0 H SER B 6 -8.212 -5.176 -5.869 1.00 0.00 H new ATOM 0 HA SER B 6 -9.355 -5.573 -8.650 1.00 0.00 H new ATOM 0 HB2 SER B 6 -11.142 -6.747 -7.272 1.00 0.00 H new ATOM 0 HB3 SER B 6 -9.577 -7.522 -7.118 1.00 0.00 H new ATOM 0 HG SER B 6 -10.582 -7.154 -5.047 1.00 0.00 H new ATOM 1196 N SER B 7 -9.821 -3.187 -6.660 1.00 0.00 N ATOM 1197 CA SER B 7 -10.575 -1.917 -6.421 1.00 0.00 C ATOM 1198 C SER B 7 -9.991 -1.201 -5.199 1.00 0.00 C ATOM 1199 O SER B 7 -9.154 -1.737 -4.500 1.00 0.00 O ATOM 1200 CB SER B 7 -12.018 -2.335 -6.134 1.00 0.00 C ATOM 1201 OG SER B 7 -12.674 -1.292 -5.424 1.00 0.00 O ATOM 0 H SER B 7 -8.908 -3.229 -6.208 1.00 0.00 H new ATOM 0 HA SER B 7 -10.515 -1.241 -7.274 1.00 0.00 H new ATOM 0 HB2 SER B 7 -12.542 -2.541 -7.067 1.00 0.00 H new ATOM 0 HB3 SER B 7 -12.033 -3.255 -5.549 1.00 0.00 H new ATOM 0 HG SER B 7 -13.539 -1.614 -5.095 1.00 0.00 H new ATOM 1207 N LEU B 8 -10.432 -0.005 -4.921 1.00 0.00 N ATOM 1208 CA LEU B 8 -9.904 0.717 -3.727 1.00 0.00 C ATOM 1209 C LEU B 8 -11.055 1.324 -2.927 1.00 0.00 C ATOM 1210 O LEU B 8 -10.859 2.177 -2.084 1.00 0.00 O ATOM 1211 CB LEU B 8 -8.974 1.811 -4.260 1.00 0.00 C ATOM 1212 CG LEU B 8 -9.574 2.469 -5.502 1.00 0.00 C ATOM 1213 CD1 LEU B 8 -10.688 3.430 -5.084 1.00 0.00 C ATOM 1214 CD2 LEU B 8 -8.473 3.246 -6.226 1.00 0.00 C ATOM 0 H LEU B 8 -11.131 0.502 -5.465 1.00 0.00 H new ATOM 0 HA LEU B 8 -9.368 0.044 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -8.808 2.562 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -8.001 1.383 -4.503 1.00 0.00 H new ATOM 0 HG LEU B 8 -9.988 1.708 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -11.115 3.899 -5.970 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -11.465 2.878 -4.555 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -10.279 4.199 -4.429 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -8.887 3.721 -7.115 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -8.069 4.010 -5.561 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -7.677 2.562 -6.518 1.00 0.00 H new ATOM 1226 N LYS B 9 -12.254 0.878 -3.175 1.00 0.00 N ATOM 1227 CA LYS B 9 -13.420 1.414 -2.421 1.00 0.00 C ATOM 1228 C LYS B 9 -13.513 0.735 -1.055 1.00 0.00 C ATOM 1229 O LYS B 9 -13.884 -0.417 -0.960 1.00 0.00 O ATOM 1230 CB LYS B 9 -14.640 1.060 -3.272 1.00 0.00 C ATOM 1231 CG LYS B 9 -15.384 2.338 -3.657 1.00 0.00 C ATOM 1232 CD LYS B 9 -16.683 1.974 -4.379 1.00 0.00 C ATOM 1233 CE LYS B 9 -17.852 2.046 -3.395 1.00 0.00 C ATOM 1234 NZ LYS B 9 -17.525 1.052 -2.335 1.00 0.00 N ATOM 0 H LYS B 9 -12.477 0.164 -3.869 1.00 0.00 H new ATOM 0 HA LYS B 9 -13.342 2.487 -2.246 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -14.328 0.525 -4.169 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -15.302 0.395 -2.718 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -15.603 2.926 -2.766 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -14.758 2.956 -4.301 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -16.852 2.657 -5.212 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -16.609 0.971 -4.799 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -17.956 3.048 -2.978 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -18.796 1.805 -3.885 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -18.379 0.843 -1.780 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -17.176 0.177 -2.775 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -16.792 1.441 -1.709 1.00 0.00 H new ATOM 1248 N SER B 10 -13.178 1.435 -0.002 1.00 0.00 N ATOM 1249 CA SER B 10 -13.250 0.825 1.360 1.00 0.00 C ATOM 1250 C SER B 10 -14.503 -0.046 1.481 1.00 0.00 C ATOM 1251 O SER B 10 -15.575 0.428 1.804 1.00 0.00 O ATOM 1252 CB SER B 10 -13.324 2.011 2.320 1.00 0.00 C ATOM 1253 OG SER B 10 -14.381 2.873 1.921 1.00 0.00 O ATOM 0 H SER B 10 -12.858 2.403 -0.026 1.00 0.00 H new ATOM 0 HA SER B 10 -12.396 0.183 1.573 1.00 0.00 H new ATOM 0 HB2 SER B 10 -13.491 1.660 3.338 1.00 0.00 H new ATOM 0 HB3 SER B 10 -12.378 2.553 2.321 1.00 0.00 H new ATOM 0 HG SER B 10 -15.192 2.345 1.763 1.00 0.00 H new ATOM 1259 N TYR B 11 -14.375 -1.316 1.209 1.00 0.00 N ATOM 1260 CA TYR B 11 -15.553 -2.225 1.289 1.00 0.00 C ATOM 1261 C TYR B 11 -15.879 -2.557 2.748 1.00 0.00 C ATOM 1262 O TYR B 11 -14.995 -2.809 3.539 1.00 0.00 O ATOM 1263 CB TYR B 11 -15.122 -3.482 0.534 1.00 0.00 C ATOM 1264 CG TYR B 11 -15.008 -3.171 -0.941 1.00 0.00 C ATOM 1265 CD1 TYR B 11 -16.032 -2.468 -1.588 1.00 0.00 C ATOM 1266 CD2 TYR B 11 -13.882 -3.592 -1.664 1.00 0.00 C ATOM 1267 CE1 TYR B 11 -15.933 -2.187 -2.955 1.00 0.00 C ATOM 1268 CE2 TYR B 11 -13.784 -3.307 -3.032 1.00 0.00 C ATOM 1269 CZ TYR B 11 -14.810 -2.606 -3.677 1.00 0.00 C ATOM 1270 OH TYR B 11 -14.716 -2.329 -5.025 1.00 0.00 O ATOM 0 H TYR B 11 -13.501 -1.765 0.934 1.00 0.00 H new ATOM 0 HA TYR B 11 -16.452 -1.776 0.866 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -14.165 -3.838 0.916 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -15.846 -4.281 0.693 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -16.898 -2.143 -1.031 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -13.092 -4.135 -1.167 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -16.724 -1.646 -3.453 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -12.917 -3.628 -3.589 1.00 0.00 H new ATOM 0 HH TYR B 11 -15.614 -2.295 -5.415 1.00 0.00 H new ATOM 1280 N PRO B 12 -17.149 -2.548 3.050 1.00 0.00 N ATOM 1281 CA PRO B 12 -17.609 -2.854 4.426 1.00 0.00 C ATOM 1282 C PRO B 12 -17.503 -4.357 4.702 1.00 0.00 C ATOM 1283 O PRO B 12 -16.965 -4.778 5.707 1.00 0.00 O ATOM 1284 CB PRO B 12 -19.068 -2.407 4.423 1.00 0.00 C ATOM 1285 CG PRO B 12 -19.494 -2.476 2.991 1.00 0.00 C ATOM 1286 CD PRO B 12 -18.266 -2.251 2.146 1.00 0.00 C ATOM 0 HA PRO B 12 -17.017 -2.359 5.196 1.00 0.00 H new ATOM 0 HB2 PRO B 12 -19.681 -3.057 5.048 1.00 0.00 H new ATOM 0 HB3 PRO B 12 -19.171 -1.396 4.817 1.00 0.00 H new ATOM 0 HG2 PRO B 12 -19.941 -3.445 2.769 1.00 0.00 H new ATOM 0 HG3 PRO B 12 -20.250 -1.720 2.778 1.00 0.00 H new ATOM 0 HD2 PRO B 12 -18.257 -2.905 1.274 1.00 0.00 H new ATOM 0 HD3 PRO B 12 -18.218 -1.226 1.777 1.00 0.00 H new ATOM 1294 N ASP B 13 -18.014 -5.169 3.817 1.00 0.00 N ATOM 1295 CA ASP B 13 -17.945 -6.644 4.027 1.00 0.00 C ATOM 1296 C ASP B 13 -16.743 -7.228 3.280 1.00 0.00 C ATOM 1297 O ASP B 13 -16.321 -8.316 3.635 1.00 0.00 O ATOM 1298 CB ASP B 13 -19.252 -7.188 3.449 1.00 0.00 C ATOM 1299 CG ASP B 13 -19.439 -8.642 3.884 1.00 0.00 C ATOM 1300 OD1 ASP B 13 -19.311 -8.906 5.068 1.00 0.00 O ATOM 1301 OD2 ASP B 13 -19.707 -9.467 3.026 1.00 0.00 O ATOM 1302 OXT ASP B 13 -16.265 -6.577 2.365 1.00 0.00 O ATOM 0 H ASP B 13 -18.477 -4.875 2.957 1.00 0.00 H new ATOM 0 HA ASP B 13 -17.824 -6.907 5.078 1.00 0.00 H new ATOM 0 HB2 ASP B 13 -20.092 -6.584 3.792 1.00 0.00 H new ATOM 0 HB3 ASP B 13 -19.235 -7.123 2.361 1.00 0.00 H new TER 1307 ASP B 13