USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 660 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 89 TYR OH : rot 180:sc= -1.61! USER MOD Set 1.2: A 96 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 64 SER OG : rot -84:sc= 0.0467 USER MOD Set 2.2: A 66 GLN : amide:sc= -2.17! K(o=-2.1!,f=-0.2) USER MOD Set 3.1: A 48 ASN : amide:sc= -2.52! K(o=-6.2!,f=-1.2) USER MOD Set 3.2: A 73 ASN : amide:sc= -3.65! C(o=-6.2!,f=-9!) USER MOD Set 3.3: A 74 SER OG : rot 180:sc= 0.00523 USER MOD Single : A 5 LYS NZ :NH3+ -165:sc= -0.0308 (180deg=-0.279) USER MOD Single : A 6 HIS : no HE2:sc= -9.86! C(o=-9.9!,f=-16!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= -0.0125 (180deg=-0.126) USER MOD Single : A 17 ASN : amide:sc= -3.87! C(o=-3.9!,f=-7.5!) USER MOD Single : A 27 THR OG1 : rot 143:sc= 1.15 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= -0.122 (180deg=-0.431) USER MOD Single : A 42 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.56) USER MOD Single : A 43 THR OG1 : rot 41:sc= -1.13 USER MOD Single : A 47 ASN : amide:sc= -8.52! C(o=-8.5!,f=-17!) USER MOD Single : A 49 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.062) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.96! C(o=-2!,f=-1.3!) USER MOD Single : A 56 ASN : amide:sc= -3.41 K(o=-3.4,f=-1.1) USER MOD Single : A 62 THR OG1 : rot -89:sc= 1.23 USER MOD Single : A 67 ASN : amide:sc= -0.0833 K(o=-0.083,f=-1.2!) USER MOD Single : A 70 SER OG : rot 150:sc= 0.0193 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -113:sc= 0.391 (180deg=-1.15) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -175:sc= -0.639 (180deg=-0.657) USER MOD Single : A 85 THR OG1 : rot -6:sc= -0.272 USER MOD Single : A 87 ASN : amide:sc= -9.81! C(o=-9.8!,f=-5.3!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -80:sc= -0.789 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 15.696 -6.065 2.577 1.00 0.00 N ATOM 27 CA ASP A 3 14.365 -6.402 3.017 1.00 0.00 C ATOM 28 C ASP A 3 13.505 -5.142 3.082 1.00 0.00 C ATOM 29 O ASP A 3 13.938 -4.108 3.582 1.00 0.00 O ATOM 30 CB ASP A 3 14.448 -7.140 4.354 1.00 0.00 C ATOM 31 CG ASP A 3 15.015 -6.313 5.488 1.00 0.00 C ATOM 32 OD1 ASP A 3 15.908 -5.473 5.244 1.00 0.00 O ATOM 33 OD2 ASP A 3 14.578 -6.522 6.639 1.00 0.00 O ATOM 0 HA ASP A 3 13.883 -7.073 2.305 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.450 -7.479 4.631 1.00 0.00 H new ATOM 0 HB3 ASP A 3 15.063 -8.031 4.226 1.00 0.00 H new ATOM 38 N PRO A 4 12.289 -5.207 2.503 1.00 0.00 N ATOM 39 CA PRO A 4 11.364 -4.062 2.351 1.00 0.00 C ATOM 40 C PRO A 4 11.150 -3.130 3.574 1.00 0.00 C ATOM 41 O PRO A 4 10.535 -2.080 3.413 1.00 0.00 O ATOM 42 CB PRO A 4 10.030 -4.726 1.991 1.00 0.00 C ATOM 43 CG PRO A 4 10.261 -6.199 2.002 1.00 0.00 C ATOM 44 CD PRO A 4 11.729 -6.413 1.869 1.00 0.00 C ATOM 0 HA PRO A 4 11.794 -3.382 1.616 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.256 -4.451 2.708 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.687 -4.396 1.010 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.890 -6.640 2.927 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.726 -6.679 1.183 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.053 -7.323 2.373 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.033 -6.501 0.826 1.00 0.00 H new ATOM 52 N LYS A 5 11.654 -3.467 4.764 1.00 0.00 N ATOM 53 CA LYS A 5 11.316 -2.693 5.976 1.00 0.00 C ATOM 54 C LYS A 5 12.044 -1.360 6.092 1.00 0.00 C ATOM 55 O LYS A 5 11.994 -0.722 7.141 1.00 0.00 O ATOM 56 CB LYS A 5 11.578 -3.493 7.256 1.00 0.00 C ATOM 57 CG LYS A 5 12.974 -4.116 7.357 1.00 0.00 C ATOM 58 CD LYS A 5 14.074 -3.067 7.502 1.00 0.00 C ATOM 59 CE LYS A 5 15.439 -3.689 7.744 1.00 0.00 C ATOM 60 NZ LYS A 5 15.488 -4.453 9.015 1.00 0.00 N ATOM 0 H LYS A 5 12.285 -4.253 4.920 1.00 0.00 H new ATOM 0 HA LYS A 5 10.252 -2.486 5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.427 -2.837 8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.836 -4.288 7.328 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.006 -4.791 8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.165 -4.717 6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.111 -2.456 6.600 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.830 -2.400 8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.687 -4.351 6.914 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.196 -2.905 7.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.479 -4.642 9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.037 -3.899 9.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.982 -5.354 8.898 1.00 0.00 H new ATOM 74 N HIS A 6 12.706 -0.941 5.039 1.00 0.00 N ATOM 75 CA HIS A 6 13.489 0.294 5.069 1.00 0.00 C ATOM 76 C HIS A 6 12.588 1.537 5.023 1.00 0.00 C ATOM 77 O HIS A 6 13.038 2.626 4.666 1.00 0.00 O ATOM 78 CB HIS A 6 14.507 0.297 3.928 1.00 0.00 C ATOM 79 CG HIS A 6 13.956 -0.255 2.672 1.00 0.00 C ATOM 80 ND1 HIS A 6 13.939 -1.599 2.372 1.00 0.00 N ATOM 81 CD2 HIS A 6 13.327 0.362 1.671 1.00 0.00 C ATOM 82 CE1 HIS A 6 13.309 -1.779 1.229 1.00 0.00 C ATOM 83 NE2 HIS A 6 12.931 -0.602 0.778 1.00 0.00 N ATOM 0 H HIS A 6 12.724 -1.431 4.145 1.00 0.00 H new ATOM 0 HA HIS A 6 14.030 0.333 6.014 1.00 0.00 H new ATOM 0 HB2 HIS A 6 14.848 1.317 3.753 1.00 0.00 H new ATOM 0 HB3 HIS A 6 15.380 -0.285 4.224 1.00 0.00 H new ATOM 0 HD1 HIS A 6 14.349 -2.338 2.944 1.00 0.00 H new ATOM 0 HD2 HIS A 6 13.160 1.425 1.580 1.00 0.00 H new ATOM 0 HE1 HIS A 6 13.133 -2.729 0.746 1.00 0.00 H new ATOM 92 N VAL A 7 11.315 1.328 5.387 1.00 0.00 N ATOM 93 CA VAL A 7 10.309 2.375 5.612 1.00 0.00 C ATOM 94 C VAL A 7 10.259 3.435 4.506 1.00 0.00 C ATOM 95 O VAL A 7 10.577 3.150 3.355 1.00 0.00 O ATOM 96 CB VAL A 7 10.474 3.011 7.017 1.00 0.00 C ATOM 97 CG1 VAL A 7 10.390 1.922 8.081 1.00 0.00 C ATOM 98 CG2 VAL A 7 11.769 3.801 7.154 1.00 0.00 C ATOM 0 H VAL A 7 10.944 0.390 5.538 1.00 0.00 H new ATOM 0 HA VAL A 7 9.340 1.878 5.572 1.00 0.00 H new ATOM 0 HB VAL A 7 9.662 3.725 7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.506 2.369 9.069 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.421 1.426 8.018 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.183 1.192 7.918 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.833 4.224 8.157 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.618 3.139 6.985 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.784 4.606 6.419 1.00 0.00 H new ATOM 108 N CYS A 8 9.781 4.630 4.838 1.00 0.00 N ATOM 109 CA CYS A 8 9.524 5.650 3.839 1.00 0.00 C ATOM 110 C CYS A 8 9.515 7.045 4.429 1.00 0.00 C ATOM 111 O CYS A 8 9.167 7.239 5.592 1.00 0.00 O ATOM 112 CB CYS A 8 8.151 5.382 3.239 1.00 0.00 C ATOM 113 SG CYS A 8 6.793 5.380 4.466 1.00 0.00 S ATOM 0 H CYS A 8 9.565 4.912 5.794 1.00 0.00 H new ATOM 0 HA CYS A 8 10.319 5.605 3.095 1.00 0.00 H new ATOM 0 HB2 CYS A 8 7.942 6.138 2.482 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.169 4.418 2.730 1.00 0.00 H new ATOM 118 N VAL A 9 9.896 8.003 3.595 1.00 0.00 N ATOM 119 CA VAL A 9 9.685 9.411 3.845 1.00 0.00 C ATOM 120 C VAL A 9 9.576 10.085 2.487 1.00 0.00 C ATOM 121 O VAL A 9 10.563 10.258 1.783 1.00 0.00 O ATOM 122 CB VAL A 9 10.858 10.038 4.639 1.00 0.00 C ATOM 123 CG1 VAL A 9 10.770 9.690 6.111 1.00 0.00 C ATOM 124 CG2 VAL A 9 12.191 9.573 4.080 1.00 0.00 C ATOM 0 H VAL A 9 10.369 7.813 2.711 1.00 0.00 H new ATOM 0 HA VAL A 9 8.785 9.547 4.444 1.00 0.00 H new ATOM 0 HB VAL A 9 10.786 11.121 4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.606 10.144 6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.833 10.068 6.519 1.00 0.00 H new ATOM 0 HG13 VAL A 9 10.808 8.607 6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.002 10.024 4.651 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.257 8.487 4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.272 9.873 3.035 1.00 0.00 H new ATOM 134 N ASP A 10 8.367 10.421 2.105 1.00 0.00 N ATOM 135 CA ASP A 10 8.128 10.966 0.787 1.00 0.00 C ATOM 136 C ASP A 10 7.325 12.254 0.844 1.00 0.00 C ATOM 137 O ASP A 10 6.631 12.513 1.825 1.00 0.00 O ATOM 138 CB ASP A 10 7.435 9.906 -0.072 1.00 0.00 C ATOM 139 CG ASP A 10 6.922 10.421 -1.412 1.00 0.00 C ATOM 140 OD1 ASP A 10 7.685 11.096 -2.137 1.00 0.00 O ATOM 141 OD2 ASP A 10 5.752 10.153 -1.744 1.00 0.00 O ATOM 0 H ASP A 10 7.534 10.327 2.686 1.00 0.00 H new ATOM 0 HA ASP A 10 9.084 11.226 0.333 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.133 9.089 -0.253 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.598 9.491 0.489 1.00 0.00 H new ATOM 146 N THR A 11 7.444 13.047 -0.206 1.00 0.00 N ATOM 147 CA THR A 11 6.538 14.151 -0.479 1.00 0.00 C ATOM 148 C THR A 11 6.462 15.194 0.648 1.00 0.00 C ATOM 149 O THR A 11 7.183 15.124 1.646 1.00 0.00 O ATOM 150 CB THR A 11 5.159 13.556 -0.855 1.00 0.00 C ATOM 151 OG1 THR A 11 4.713 14.118 -2.093 1.00 0.00 O ATOM 152 CG2 THR A 11 4.108 13.763 0.213 1.00 0.00 C ATOM 0 H THR A 11 8.182 12.942 -0.903 1.00 0.00 H new ATOM 0 HA THR A 11 6.930 14.726 -1.318 1.00 0.00 H new ATOM 0 HB THR A 11 5.295 12.479 -0.954 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.841 13.738 -2.329 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.166 13.323 -0.113 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.430 13.285 1.138 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.969 14.830 0.385 1.00 0.00 H new ATOM 160 N ARG A 12 5.618 16.186 0.447 1.00 0.00 N ATOM 161 CA ARG A 12 5.499 17.293 1.365 1.00 0.00 C ATOM 162 C ARG A 12 4.535 16.905 2.461 1.00 0.00 C ATOM 163 O ARG A 12 4.765 17.141 3.650 1.00 0.00 O ATOM 164 CB ARG A 12 4.993 18.531 0.639 1.00 0.00 C ATOM 165 CG ARG A 12 5.801 18.921 -0.591 1.00 0.00 C ATOM 166 CD ARG A 12 5.549 17.999 -1.773 1.00 0.00 C ATOM 167 NE ARG A 12 6.161 18.485 -3.004 1.00 0.00 N ATOM 168 CZ ARG A 12 6.556 17.696 -4.000 1.00 0.00 C ATOM 169 NH1 ARG A 12 6.374 16.381 -3.918 1.00 0.00 N ATOM 170 NH2 ARG A 12 7.128 18.219 -5.075 1.00 0.00 N ATOM 0 H ARG A 12 4.996 16.244 -0.359 1.00 0.00 H new ATOM 0 HA ARG A 12 6.475 17.524 1.791 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.959 18.363 0.339 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.990 19.369 1.336 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.554 19.944 -0.874 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.862 18.906 -0.343 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.939 17.007 -1.545 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.475 17.892 -1.923 1.00 0.00 H new ATOM 0 HE ARG A 12 6.294 19.491 -3.108 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.932 15.978 -3.092 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.677 15.776 -4.681 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.266 19.228 -5.140 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.430 17.613 -5.838 1.00 0.00 H new ATOM 184 N ASP A 13 3.457 16.283 2.029 1.00 0.00 N ATOM 185 CA ASP A 13 2.434 15.779 2.935 1.00 0.00 C ATOM 186 C ASP A 13 1.718 14.579 2.321 1.00 0.00 C ATOM 187 O ASP A 13 0.914 14.729 1.399 1.00 0.00 O ATOM 188 CB ASP A 13 1.427 16.875 3.274 1.00 0.00 C ATOM 189 CG ASP A 13 0.413 16.425 4.303 1.00 0.00 C ATOM 190 OD1 ASP A 13 0.819 16.115 5.444 1.00 0.00 O ATOM 191 OD2 ASP A 13 -0.794 16.401 3.986 1.00 0.00 O ATOM 0 H ASP A 13 3.262 16.111 1.043 1.00 0.00 H new ATOM 0 HA ASP A 13 2.923 15.460 3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.958 17.750 3.649 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.908 17.182 2.366 1.00 0.00 H new ATOM 196 N ILE A 14 2.041 13.393 2.815 1.00 0.00 N ATOM 197 CA ILE A 14 1.422 12.161 2.337 1.00 0.00 C ATOM 198 C ILE A 14 0.019 12.046 2.902 1.00 0.00 C ATOM 199 O ILE A 14 -0.205 12.305 4.085 1.00 0.00 O ATOM 200 CB ILE A 14 2.276 10.924 2.716 1.00 0.00 C ATOM 201 CG1 ILE A 14 3.619 11.036 2.021 1.00 0.00 C ATOM 202 CG2 ILE A 14 1.594 9.619 2.317 1.00 0.00 C ATOM 203 CD1 ILE A 14 4.761 10.421 2.773 1.00 0.00 C ATOM 0 H ILE A 14 2.733 13.255 3.552 1.00 0.00 H new ATOM 0 HA ILE A 14 1.364 12.195 1.249 1.00 0.00 H new ATOM 0 HB ILE A 14 2.402 10.906 3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.548 10.562 1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.839 12.090 1.850 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.226 8.777 2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.634 9.540 2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.435 9.606 1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.682 10.547 2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.864 10.910 3.742 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.569 9.358 2.921 1.00 0.00 H new ATOM 215 N PRO A 15 -0.943 11.685 2.044 1.00 0.00 N ATOM 216 CA PRO A 15 -2.364 11.644 2.394 1.00 0.00 C ATOM 217 C PRO A 15 -2.656 10.818 3.645 1.00 0.00 C ATOM 218 O PRO A 15 -1.937 9.870 3.966 1.00 0.00 O ATOM 219 CB PRO A 15 -2.995 11.000 1.167 1.00 0.00 C ATOM 220 CG PRO A 15 -2.090 11.378 0.057 1.00 0.00 C ATOM 221 CD PRO A 15 -0.725 11.274 0.644 1.00 0.00 C ATOM 0 HA PRO A 15 -2.750 12.635 2.633 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.063 9.918 1.275 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.007 11.368 0.999 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.208 10.711 -0.797 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.295 12.388 -0.297 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.331 10.260 0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.015 11.927 0.136 1.00 0.00 H new ATOM 229 N LYS A 16 -3.717 11.187 4.343 1.00 0.00 N ATOM 230 CA LYS A 16 -4.095 10.541 5.582 1.00 0.00 C ATOM 231 C LYS A 16 -4.341 9.066 5.399 1.00 0.00 C ATOM 232 O LYS A 16 -3.774 8.235 6.106 1.00 0.00 O ATOM 233 CB LYS A 16 -5.337 11.202 6.114 1.00 0.00 C ATOM 234 CG LYS A 16 -5.729 10.722 7.488 1.00 0.00 C ATOM 235 CD LYS A 16 -6.760 11.640 8.087 1.00 0.00 C ATOM 236 CE LYS A 16 -7.233 11.146 9.445 1.00 0.00 C ATOM 237 NZ LYS A 16 -6.122 11.076 10.435 1.00 0.00 N ATOM 0 H LYS A 16 -4.340 11.945 4.063 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.271 10.647 6.288 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.181 12.280 6.145 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.161 11.019 5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.126 9.709 7.427 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.850 10.682 8.131 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.340 12.641 8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.612 11.720 7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.011 11.810 9.821 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.682 10.159 9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.511 10.883 11.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.467 10.314 10.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.612 11.982 10.449 1.00 0.00 H new ATOM 251 N ASN A 17 -5.172 8.744 4.437 1.00 0.00 N ATOM 252 CA ASN A 17 -5.519 7.371 4.172 1.00 0.00 C ATOM 253 C ASN A 17 -4.521 6.797 3.188 1.00 0.00 C ATOM 254 O ASN A 17 -4.839 5.956 2.346 1.00 0.00 O ATOM 255 CB ASN A 17 -6.954 7.295 3.655 1.00 0.00 C ATOM 256 CG ASN A 17 -7.931 7.925 4.623 1.00 0.00 C ATOM 257 OD1 ASN A 17 -9.024 8.348 4.244 1.00 0.00 O ATOM 258 ND2 ASN A 17 -7.532 8.011 5.878 1.00 0.00 N ATOM 0 H ASN A 17 -5.623 9.421 3.821 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.474 6.776 5.084 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.021 7.799 2.691 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.227 6.253 3.489 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.137 8.441 6.577 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.618 7.647 6.149 1.00 0.00 H new ATOM 265 N ALA A 18 -3.295 7.274 3.316 1.00 0.00 N ATOM 266 CA ALA A 18 -2.222 6.879 2.434 1.00 0.00 C ATOM 267 C ALA A 18 -0.996 6.481 3.222 1.00 0.00 C ATOM 268 O ALA A 18 -0.875 6.768 4.414 1.00 0.00 O ATOM 269 CB ALA A 18 -1.866 8.002 1.481 1.00 0.00 C ATOM 0 H ALA A 18 -3.020 7.944 4.034 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.569 6.021 1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.055 7.681 0.827 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.738 8.259 0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.548 8.875 2.050 1.00 0.00 H new ATOM 275 N GLY A 19 -0.107 5.802 2.541 1.00 0.00 N ATOM 276 CA GLY A 19 1.152 5.427 3.122 1.00 0.00 C ATOM 277 C GLY A 19 2.267 5.605 2.138 1.00 0.00 C ATOM 278 O GLY A 19 2.027 5.709 0.941 1.00 0.00 O ATOM 0 H GLY A 19 -0.236 5.497 1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.343 6.032 4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.112 4.388 3.448 1.00 0.00 H new ATOM 282 N CYS A 20 3.478 5.619 2.632 1.00 0.00 N ATOM 283 CA CYS A 20 4.611 5.993 1.831 1.00 0.00 C ATOM 284 C CYS A 20 5.579 4.854 1.669 1.00 0.00 C ATOM 285 O CYS A 20 5.573 3.894 2.438 1.00 0.00 O ATOM 286 CB CYS A 20 5.298 7.223 2.417 1.00 0.00 C ATOM 287 SG CYS A 20 5.782 7.130 4.189 1.00 0.00 S ATOM 0 H CYS A 20 3.704 5.373 3.596 1.00 0.00 H new ATOM 0 HA CYS A 20 4.246 6.246 0.836 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.193 7.425 1.829 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.633 8.077 2.290 1.00 0.00 H new ATOM 292 N PHE A 21 6.320 4.908 0.595 1.00 0.00 N ATOM 293 CA PHE A 21 7.471 4.066 0.442 1.00 0.00 C ATOM 294 C PHE A 21 8.704 4.874 0.095 1.00 0.00 C ATOM 295 O PHE A 21 8.646 5.824 -0.684 1.00 0.00 O ATOM 296 CB PHE A 21 7.273 3.041 -0.635 1.00 0.00 C ATOM 297 CG PHE A 21 8.461 2.142 -0.751 1.00 0.00 C ATOM 298 CD1 PHE A 21 9.011 1.611 0.391 1.00 0.00 C ATOM 299 CD2 PHE A 21 9.049 1.859 -1.968 1.00 0.00 C ATOM 300 CE1 PHE A 21 10.115 0.818 0.335 1.00 0.00 C ATOM 301 CE2 PHE A 21 10.163 1.049 -2.027 1.00 0.00 C ATOM 302 CZ PHE A 21 10.694 0.532 -0.858 1.00 0.00 C ATOM 0 H PHE A 21 6.143 5.533 -0.192 1.00 0.00 H new ATOM 0 HA PHE A 21 7.608 3.567 1.401 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.385 2.448 -0.417 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.097 3.540 -1.588 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.560 1.827 1.348 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.635 2.273 -2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.533 0.414 1.245 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.618 0.819 -2.979 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.570 -0.099 -0.896 1.00 0.00 H new ATOM 312 N ARG A 22 9.803 4.498 0.710 1.00 0.00 N ATOM 313 CA ARG A 22 11.104 4.964 0.305 1.00 0.00 C ATOM 314 C ARG A 22 12.061 3.799 0.333 1.00 0.00 C ATOM 315 O ARG A 22 12.307 3.218 1.385 1.00 0.00 O ATOM 316 CB ARG A 22 11.619 6.054 1.217 1.00 0.00 C ATOM 317 CG ARG A 22 12.975 6.541 0.799 1.00 0.00 C ATOM 318 CD ARG A 22 13.440 7.651 1.683 1.00 0.00 C ATOM 319 NE ARG A 22 13.952 8.733 0.876 1.00 0.00 N ATOM 320 CZ ARG A 22 14.866 9.613 1.286 1.00 0.00 C ATOM 321 NH1 ARG A 22 15.510 9.427 2.433 1.00 0.00 N ATOM 322 NH2 ARG A 22 15.161 10.659 0.526 1.00 0.00 N ATOM 0 H ARG A 22 9.817 3.860 1.506 1.00 0.00 H new ATOM 0 HA ARG A 22 11.024 5.381 -0.699 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.918 6.889 1.217 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.668 5.679 2.239 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.689 5.718 0.837 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.939 6.885 -0.235 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.616 8.005 2.303 1.00 0.00 H new ATOM 0 HD3 ARG A 22 14.215 7.290 2.359 1.00 0.00 H new ATOM 0 HE ARG A 22 13.590 8.831 -0.073 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.306 8.608 3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.208 10.104 2.741 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.689 10.788 -0.369 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.860 11.334 0.837 1.00 0.00 H new ATOM 336 N ASP A 23 12.604 3.441 -0.806 1.00 0.00 N ATOM 337 CA ASP A 23 13.419 2.254 -0.845 1.00 0.00 C ATOM 338 C ASP A 23 14.850 2.557 -0.418 1.00 0.00 C ATOM 339 O ASP A 23 15.138 3.651 0.072 1.00 0.00 O ATOM 340 CB ASP A 23 13.376 1.554 -2.200 1.00 0.00 C ATOM 341 CG ASP A 23 13.980 2.353 -3.339 1.00 0.00 C ATOM 342 OD1 ASP A 23 14.663 3.360 -3.080 1.00 0.00 O ATOM 343 OD2 ASP A 23 13.780 1.962 -4.502 1.00 0.00 O ATOM 0 H ASP A 23 12.501 3.937 -1.691 1.00 0.00 H new ATOM 0 HA ASP A 23 12.992 1.555 -0.126 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.903 0.603 -2.121 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.339 1.325 -2.444 1.00 0.00 H new ATOM 348 N ASP A 24 15.742 1.601 -0.600 1.00 0.00 N ATOM 349 CA ASP A 24 17.127 1.776 -0.180 1.00 0.00 C ATOM 350 C ASP A 24 17.868 2.713 -1.132 1.00 0.00 C ATOM 351 O ASP A 24 18.849 3.358 -0.759 1.00 0.00 O ATOM 352 CB ASP A 24 17.824 0.421 -0.102 1.00 0.00 C ATOM 353 CG ASP A 24 19.213 0.511 0.496 1.00 0.00 C ATOM 354 OD1 ASP A 24 19.343 1.031 1.625 1.00 0.00 O ATOM 355 OD2 ASP A 24 20.171 0.048 -0.155 1.00 0.00 O ATOM 0 H ASP A 24 15.538 0.700 -1.032 1.00 0.00 H new ATOM 0 HA ASP A 24 17.136 2.231 0.811 1.00 0.00 H new ATOM 0 HB2 ASP A 24 17.219 -0.260 0.496 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.891 -0.007 -1.102 1.00 0.00 H new ATOM 360 N ASP A 25 17.350 2.817 -2.351 1.00 0.00 N ATOM 361 CA ASP A 25 17.964 3.640 -3.390 1.00 0.00 C ATOM 362 C ASP A 25 17.675 5.115 -3.138 1.00 0.00 C ATOM 363 O ASP A 25 18.468 5.992 -3.485 1.00 0.00 O ATOM 364 CB ASP A 25 17.419 3.226 -4.765 1.00 0.00 C ATOM 365 CG ASP A 25 18.087 3.953 -5.915 1.00 0.00 C ATOM 366 OD1 ASP A 25 19.115 3.452 -6.417 1.00 0.00 O ATOM 367 OD2 ASP A 25 17.573 5.009 -6.344 1.00 0.00 O ATOM 0 H ASP A 25 16.499 2.338 -2.647 1.00 0.00 H new ATOM 0 HA ASP A 25 19.043 3.489 -3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 25 17.555 2.152 -4.894 1.00 0.00 H new ATOM 0 HB3 ASP A 25 16.346 3.418 -4.796 1.00 0.00 H new ATOM 372 N GLY A 26 16.547 5.374 -2.497 1.00 0.00 N ATOM 373 CA GLY A 26 16.137 6.734 -2.223 1.00 0.00 C ATOM 374 C GLY A 26 14.856 7.081 -2.948 1.00 0.00 C ATOM 375 O GLY A 26 14.416 8.229 -2.943 1.00 0.00 O ATOM 0 H GLY A 26 15.903 4.659 -2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.996 6.864 -1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.926 7.422 -2.526 1.00 0.00 H new ATOM 379 N THR A 27 14.273 6.076 -3.585 1.00 0.00 N ATOM 380 CA THR A 27 13.005 6.213 -4.278 1.00 0.00 C ATOM 381 C THR A 27 11.903 6.550 -3.288 1.00 0.00 C ATOM 382 O THR A 27 11.873 5.994 -2.196 1.00 0.00 O ATOM 383 CB THR A 27 12.643 4.888 -4.940 1.00 0.00 C ATOM 384 OG1 THR A 27 13.769 4.371 -5.656 1.00 0.00 O ATOM 385 CG2 THR A 27 11.460 5.027 -5.880 1.00 0.00 C ATOM 0 H THR A 27 14.671 5.138 -3.635 1.00 0.00 H new ATOM 0 HA THR A 27 13.100 7.005 -5.020 1.00 0.00 H new ATOM 0 HB THR A 27 12.360 4.195 -4.147 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.796 3.396 -5.563 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.237 4.059 -6.329 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.591 5.377 -5.322 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.701 5.744 -6.664 1.00 0.00 H new ATOM 393 N GLU A 28 10.998 7.436 -3.662 1.00 0.00 N ATOM 394 CA GLU A 28 9.934 7.832 -2.761 1.00 0.00 C ATOM 395 C GLU A 28 8.589 7.860 -3.474 1.00 0.00 C ATOM 396 O GLU A 28 8.393 8.589 -4.447 1.00 0.00 O ATOM 397 CB GLU A 28 10.264 9.187 -2.150 1.00 0.00 C ATOM 398 CG GLU A 28 11.481 9.151 -1.240 1.00 0.00 C ATOM 399 CD GLU A 28 12.173 10.492 -1.158 1.00 0.00 C ATOM 400 OE1 GLU A 28 11.512 11.491 -0.816 1.00 0.00 O ATOM 401 OE2 GLU A 28 13.386 10.556 -1.435 1.00 0.00 O ATOM 0 H GLU A 28 10.979 7.891 -4.575 1.00 0.00 H new ATOM 0 HA GLU A 28 9.856 7.095 -1.962 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.437 9.907 -2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.404 9.542 -1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.176 8.840 -0.241 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.184 8.403 -1.606 1.00 0.00 H new ATOM 408 N GLU A 29 7.669 7.044 -2.981 1.00 0.00 N ATOM 409 CA GLU A 29 6.354 6.899 -3.582 1.00 0.00 C ATOM 410 C GLU A 29 5.327 6.616 -2.518 1.00 0.00 C ATOM 411 O GLU A 29 5.511 5.719 -1.708 1.00 0.00 O ATOM 412 CB GLU A 29 6.368 5.752 -4.587 1.00 0.00 C ATOM 413 CG GLU A 29 4.988 5.230 -4.968 1.00 0.00 C ATOM 414 CD GLU A 29 5.067 4.052 -5.913 1.00 0.00 C ATOM 415 OE1 GLU A 29 5.496 4.244 -7.072 1.00 0.00 O ATOM 416 OE2 GLU A 29 4.718 2.926 -5.503 1.00 0.00 O ATOM 0 H GLU A 29 7.814 6.465 -2.154 1.00 0.00 H new ATOM 0 HA GLU A 29 6.098 7.828 -4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.880 6.083 -5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.952 4.930 -4.173 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.450 4.936 -4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.414 6.031 -5.434 1.00 0.00 H new ATOM 423 N TRP A 30 4.257 7.375 -2.498 1.00 0.00 N ATOM 424 CA TRP A 30 3.178 7.069 -1.595 1.00 0.00 C ATOM 425 C TRP A 30 2.019 6.433 -2.350 1.00 0.00 C ATOM 426 O TRP A 30 1.859 6.618 -3.560 1.00 0.00 O ATOM 427 CB TRP A 30 2.739 8.304 -0.794 1.00 0.00 C ATOM 428 CG TRP A 30 2.167 9.427 -1.598 1.00 0.00 C ATOM 429 CD1 TRP A 30 2.771 10.613 -1.897 1.00 0.00 C ATOM 430 CD2 TRP A 30 0.864 9.482 -2.176 1.00 0.00 C ATOM 431 NE1 TRP A 30 1.921 11.402 -2.629 1.00 0.00 N ATOM 432 CE2 TRP A 30 0.742 10.727 -2.815 1.00 0.00 C ATOM 433 CE3 TRP A 30 -0.211 8.593 -2.216 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -0.418 11.105 -3.483 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -1.358 8.971 -2.882 1.00 0.00 C ATOM 436 CH2 TRP A 30 -1.452 10.217 -3.505 1.00 0.00 C ATOM 0 H TRP A 30 4.113 8.195 -3.087 1.00 0.00 H new ATOM 0 HA TRP A 30 3.539 6.343 -0.866 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.997 7.993 -0.059 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.599 8.679 -0.239 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.772 10.890 -1.601 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.131 12.337 -2.978 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.146 7.628 -1.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.497 12.067 -3.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.197 8.292 -2.922 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.365 10.483 -4.016 1.00 0.00 H new ATOM 447 N ARG A 31 1.232 5.673 -1.620 1.00 0.00 N ATOM 448 CA ARG A 31 0.098 4.937 -2.162 1.00 0.00 C ATOM 449 C ARG A 31 -1.068 5.064 -1.208 1.00 0.00 C ATOM 450 O ARG A 31 -0.945 5.680 -0.157 1.00 0.00 O ATOM 451 CB ARG A 31 0.410 3.455 -2.365 1.00 0.00 C ATOM 452 CG ARG A 31 1.479 3.166 -3.402 1.00 0.00 C ATOM 453 CD ARG A 31 1.498 1.689 -3.771 1.00 0.00 C ATOM 454 NE ARG A 31 2.638 1.342 -4.621 1.00 0.00 N ATOM 455 CZ ARG A 31 2.703 0.237 -5.363 1.00 0.00 C ATOM 456 NH1 ARG A 31 1.800 -0.724 -5.211 1.00 0.00 N ATOM 457 NH2 ARG A 31 3.712 0.056 -6.205 1.00 0.00 N ATOM 0 H ARG A 31 1.360 5.543 -0.616 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.139 5.363 -3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.724 3.030 -1.412 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.507 2.942 -2.656 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.296 3.765 -4.294 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.455 3.460 -3.015 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.531 1.090 -2.861 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.572 1.434 -4.287 1.00 0.00 H new ATOM 0 HE ARG A 31 3.430 1.984 -4.647 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.053 -0.618 -4.524 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.853 -1.568 -5.781 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.442 0.764 -6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.758 -0.791 -6.771 1.00 0.00 H new ATOM 471 N CYS A 32 -2.173 4.434 -1.547 1.00 0.00 N ATOM 472 CA CYS A 32 -3.380 4.528 -0.748 1.00 0.00 C ATOM 473 C CYS A 32 -3.605 3.188 -0.108 1.00 0.00 C ATOM 474 O CYS A 32 -3.521 2.152 -0.769 1.00 0.00 O ATOM 475 CB CYS A 32 -4.596 4.871 -1.614 1.00 0.00 C ATOM 476 SG CYS A 32 -4.405 6.388 -2.594 1.00 0.00 S ATOM 0 H CYS A 32 -2.262 3.847 -2.376 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.260 5.317 -0.005 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.795 4.038 -2.289 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.469 4.975 -0.970 1.00 0.00 H new ATOM 481 N LEU A 33 -3.849 3.225 1.194 1.00 0.00 N ATOM 482 CA LEU A 33 -3.839 2.033 2.019 1.00 0.00 C ATOM 483 C LEU A 33 -4.871 1.019 1.548 1.00 0.00 C ATOM 484 O LEU A 33 -5.741 1.323 0.734 1.00 0.00 O ATOM 485 CB LEU A 33 -4.090 2.392 3.482 1.00 0.00 C ATOM 486 CG LEU A 33 -3.152 3.431 4.101 1.00 0.00 C ATOM 487 CD1 LEU A 33 -3.137 3.294 5.612 1.00 0.00 C ATOM 488 CD2 LEU A 33 -1.750 3.317 3.546 1.00 0.00 C ATOM 0 H LEU A 33 -4.059 4.083 1.705 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.852 1.579 1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.112 2.759 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.025 1.479 4.073 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.531 4.419 3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.466 4.039 6.038 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.144 3.447 6.001 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.791 2.297 5.883 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.113 4.071 4.009 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.353 2.325 3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.772 3.473 2.467 1.00 0.00 H new ATOM 500 N LEU A 34 -4.765 -0.176 2.082 1.00 0.00 N ATOM 501 CA LEU A 34 -5.577 -1.284 1.658 1.00 0.00 C ATOM 502 C LEU A 34 -7.036 -1.033 1.968 1.00 0.00 C ATOM 503 O LEU A 34 -7.400 -0.731 3.105 1.00 0.00 O ATOM 504 CB LEU A 34 -5.067 -2.542 2.335 1.00 0.00 C ATOM 505 CG LEU A 34 -3.575 -2.763 2.119 1.00 0.00 C ATOM 506 CD1 LEU A 34 -3.110 -4.057 2.756 1.00 0.00 C ATOM 507 CD2 LEU A 34 -3.270 -2.742 0.634 1.00 0.00 C ATOM 0 H LEU A 34 -4.107 -0.404 2.828 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.504 -1.407 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.270 -2.482 3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.616 -3.403 1.954 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.027 -1.955 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.041 -4.184 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.303 -4.025 3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.651 -4.894 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.203 -2.900 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.830 -3.534 0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.558 -1.777 0.217 1.00 0.00 H new ATOM 519 N GLY A 35 -7.862 -1.131 0.942 1.00 0.00 N ATOM 520 CA GLY A 35 -9.254 -0.822 1.098 1.00 0.00 C ATOM 521 C GLY A 35 -9.488 0.664 1.104 1.00 0.00 C ATOM 522 O GLY A 35 -10.434 1.143 1.730 1.00 0.00 O ATOM 0 H GLY A 35 -7.587 -1.420 0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.823 -1.278 0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.622 -1.254 2.029 1.00 0.00 H new ATOM 526 N TYR A 36 -8.594 1.403 0.446 1.00 0.00 N ATOM 527 CA TYR A 36 -8.734 2.834 0.260 1.00 0.00 C ATOM 528 C TYR A 36 -8.529 3.163 -1.219 1.00 0.00 C ATOM 529 O TYR A 36 -7.981 2.357 -1.971 1.00 0.00 O ATOM 530 CB TYR A 36 -7.699 3.604 1.085 1.00 0.00 C ATOM 531 CG TYR A 36 -7.767 3.431 2.595 1.00 0.00 C ATOM 532 CD1 TYR A 36 -8.643 2.554 3.210 1.00 0.00 C ATOM 533 CD2 TYR A 36 -6.935 4.167 3.400 1.00 0.00 C ATOM 534 CE1 TYR A 36 -8.687 2.415 4.580 1.00 0.00 C ATOM 535 CE2 TYR A 36 -6.970 4.042 4.777 1.00 0.00 C ATOM 536 CZ TYR A 36 -7.847 3.162 5.362 1.00 0.00 C ATOM 537 OH TYR A 36 -7.888 3.035 6.731 1.00 0.00 O ATOM 0 H TYR A 36 -7.749 1.015 0.027 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.730 3.130 0.590 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.706 3.303 0.752 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.804 4.665 0.858 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.310 1.963 2.600 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.238 4.858 2.949 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.379 1.722 5.034 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.309 4.635 5.391 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.227 3.635 7.135 1.00 0.00 H new ATOM 547 N LYS A 37 -8.967 4.340 -1.626 1.00 0.00 N ATOM 548 CA LYS A 37 -8.936 4.742 -3.019 1.00 0.00 C ATOM 549 C LYS A 37 -8.285 6.104 -3.157 1.00 0.00 C ATOM 550 O LYS A 37 -7.918 6.730 -2.160 1.00 0.00 O ATOM 551 CB LYS A 37 -10.363 4.812 -3.553 1.00 0.00 C ATOM 552 CG LYS A 37 -11.242 5.760 -2.764 1.00 0.00 C ATOM 553 CD LYS A 37 -12.687 5.645 -3.185 1.00 0.00 C ATOM 554 CE LYS A 37 -13.574 6.567 -2.362 1.00 0.00 C ATOM 555 NZ LYS A 37 -14.980 6.574 -2.845 1.00 0.00 N ATOM 0 H LYS A 37 -9.355 5.045 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.359 4.012 -3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.340 5.129 -4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.803 3.815 -3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.152 5.542 -1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.899 6.784 -2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.782 5.893 -4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.022 4.614 -3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.552 6.253 -1.318 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.174 7.580 -2.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.547 7.216 -2.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.006 6.899 -3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.372 5.613 -2.786 1.00 0.00 H new ATOM 569 N LYS A 38 -8.164 6.560 -4.392 1.00 0.00 N ATOM 570 CA LYS A 38 -7.621 7.871 -4.674 1.00 0.00 C ATOM 571 C LYS A 38 -8.763 8.862 -4.838 1.00 0.00 C ATOM 572 O LYS A 38 -9.715 8.603 -5.572 1.00 0.00 O ATOM 573 CB LYS A 38 -6.773 7.833 -5.944 1.00 0.00 C ATOM 574 CG LYS A 38 -5.780 8.966 -6.018 1.00 0.00 C ATOM 575 CD LYS A 38 -4.673 8.775 -5.004 1.00 0.00 C ATOM 576 CE LYS A 38 -3.454 8.124 -5.629 1.00 0.00 C ATOM 577 NZ LYS A 38 -3.680 6.704 -6.001 1.00 0.00 N ATOM 0 H LYS A 38 -8.439 6.033 -5.221 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.985 8.182 -3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.239 6.884 -5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.428 7.873 -6.814 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.356 9.019 -7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.287 9.913 -5.836 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.395 9.740 -4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.034 8.159 -4.181 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.165 8.685 -6.518 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.620 8.182 -4.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.770 6.256 -6.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.122 6.202 -5.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.307 6.658 -6.829 1.00 0.00 H new ATOM 591 N GLY A 39 -8.667 9.986 -4.146 1.00 0.00 N ATOM 592 CA GLY A 39 -9.745 10.947 -4.151 1.00 0.00 C ATOM 593 C GLY A 39 -9.484 12.122 -5.070 1.00 0.00 C ATOM 594 O GLY A 39 -9.471 11.982 -6.294 1.00 0.00 O ATOM 0 H GLY A 39 -7.860 10.249 -3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.666 10.451 -4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.903 11.314 -3.137 1.00 0.00 H new ATOM 598 N GLU A 40 -9.269 13.279 -4.475 1.00 0.00 N ATOM 599 CA GLU A 40 -9.019 14.506 -5.213 1.00 0.00 C ATOM 600 C GLU A 40 -7.549 14.619 -5.622 1.00 0.00 C ATOM 601 O GLU A 40 -6.786 15.423 -5.075 1.00 0.00 O ATOM 602 CB GLU A 40 -9.416 15.702 -4.355 1.00 0.00 C ATOM 603 CG GLU A 40 -8.776 15.692 -2.978 1.00 0.00 C ATOM 604 CD GLU A 40 -9.040 16.964 -2.210 1.00 0.00 C ATOM 605 OE1 GLU A 40 -10.124 17.082 -1.599 1.00 0.00 O ATOM 606 OE2 GLU A 40 -8.170 17.853 -2.220 1.00 0.00 O ATOM 0 H GLU A 40 -9.262 13.397 -3.462 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.618 14.490 -6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.136 16.620 -4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.500 15.717 -4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.156 14.843 -2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.700 15.550 -3.082 1.00 0.00 H new ATOM 613 N GLY A 41 -7.144 13.799 -6.570 1.00 0.00 N ATOM 614 CA GLY A 41 -5.788 13.871 -7.065 1.00 0.00 C ATOM 615 C GLY A 41 -4.808 13.145 -6.168 1.00 0.00 C ATOM 616 O GLY A 41 -4.837 11.921 -6.064 1.00 0.00 O ATOM 0 H GLY A 41 -7.726 13.085 -7.007 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.746 13.443 -8.066 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.491 14.916 -7.153 1.00 0.00 H new ATOM 620 N ASN A 42 -3.956 13.902 -5.497 1.00 0.00 N ATOM 621 CA ASN A 42 -2.937 13.333 -4.621 1.00 0.00 C ATOM 622 C ASN A 42 -3.493 13.080 -3.223 1.00 0.00 C ATOM 623 O ASN A 42 -2.925 13.518 -2.223 1.00 0.00 O ATOM 624 CB ASN A 42 -1.717 14.259 -4.556 1.00 0.00 C ATOM 625 CG ASN A 42 -2.086 15.696 -4.216 1.00 0.00 C ATOM 626 OD1 ASN A 42 -2.375 16.494 -5.106 1.00 0.00 O ATOM 627 ND2 ASN A 42 -2.083 16.031 -2.938 1.00 0.00 N ATOM 0 H ASN A 42 -3.948 14.921 -5.541 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.628 12.374 -5.036 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.019 13.881 -3.809 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.199 14.239 -5.515 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.326 16.982 -2.659 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.837 15.339 -2.230 1.00 0.00 H new ATOM 634 N THR A 43 -4.590 12.348 -3.158 1.00 0.00 N ATOM 635 CA THR A 43 -5.259 12.086 -1.898 1.00 0.00 C ATOM 636 C THR A 43 -5.770 10.667 -1.825 1.00 0.00 C ATOM 637 O THR A 43 -6.212 10.103 -2.824 1.00 0.00 O ATOM 638 CB THR A 43 -6.438 13.027 -1.696 1.00 0.00 C ATOM 639 OG1 THR A 43 -7.103 13.213 -2.940 1.00 0.00 O ATOM 640 CG2 THR A 43 -5.973 14.361 -1.149 1.00 0.00 C ATOM 0 H THR A 43 -5.039 11.922 -3.969 1.00 0.00 H new ATOM 0 HA THR A 43 -4.517 12.246 -1.116 1.00 0.00 H new ATOM 0 HB THR A 43 -7.125 12.587 -0.973 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.160 12.356 -3.412 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.832 15.018 -1.012 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.477 14.208 -0.190 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.275 14.818 -1.850 1.00 0.00 H new ATOM 648 N CYS A 44 -5.734 10.104 -0.640 1.00 0.00 N ATOM 649 CA CYS A 44 -6.234 8.768 -0.431 1.00 0.00 C ATOM 650 C CYS A 44 -7.323 8.788 0.617 1.00 0.00 C ATOM 651 O CYS A 44 -7.226 9.502 1.616 1.00 0.00 O ATOM 652 CB CYS A 44 -5.108 7.835 -0.017 1.00 0.00 C ATOM 653 SG CYS A 44 -3.757 7.740 -1.233 1.00 0.00 S ATOM 0 H CYS A 44 -5.362 10.554 0.196 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.652 8.396 -1.366 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.703 8.169 0.938 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.514 6.836 0.141 1.00 0.00 H new ATOM 658 N VAL A 45 -8.355 8.005 0.382 1.00 0.00 N ATOM 659 CA VAL A 45 -9.541 8.006 1.218 1.00 0.00 C ATOM 660 C VAL A 45 -10.114 6.613 1.335 1.00 0.00 C ATOM 661 O VAL A 45 -9.992 5.804 0.422 1.00 0.00 O ATOM 662 CB VAL A 45 -10.631 8.938 0.653 1.00 0.00 C ATOM 663 CG1 VAL A 45 -10.209 10.396 0.775 1.00 0.00 C ATOM 664 CG2 VAL A 45 -10.937 8.592 -0.801 1.00 0.00 C ATOM 0 H VAL A 45 -8.397 7.347 -0.396 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.236 8.367 2.200 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.538 8.792 1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.993 11.037 0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.046 10.641 1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.286 10.556 0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.709 9.262 -1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.033 8.704 -1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.288 7.562 -0.864 1.00 0.00 H new ATOM 674 N GLU A 46 -10.723 6.338 2.472 1.00 0.00 N ATOM 675 CA GLU A 46 -11.395 5.074 2.694 1.00 0.00 C ATOM 676 C GLU A 46 -12.486 4.862 1.654 1.00 0.00 C ATOM 677 O GLU A 46 -13.496 5.567 1.653 1.00 0.00 O ATOM 678 CB GLU A 46 -12.006 5.054 4.088 1.00 0.00 C ATOM 679 CG GLU A 46 -10.998 4.863 5.202 1.00 0.00 C ATOM 680 CD GLU A 46 -11.598 5.124 6.565 1.00 0.00 C ATOM 681 OE1 GLU A 46 -12.273 4.221 7.103 1.00 0.00 O ATOM 682 OE2 GLU A 46 -11.416 6.236 7.098 1.00 0.00 O ATOM 0 H GLU A 46 -10.766 6.981 3.263 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.664 4.270 2.605 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.540 5.990 4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.743 4.253 4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.609 3.846 5.167 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.153 5.533 5.044 1.00 0.00 H new ATOM 689 N ASN A 47 -12.290 3.895 0.770 1.00 0.00 N ATOM 690 CA ASN A 47 -13.227 3.666 -0.300 1.00 0.00 C ATOM 691 C ASN A 47 -14.475 2.959 0.190 1.00 0.00 C ATOM 692 O ASN A 47 -15.567 3.201 -0.318 1.00 0.00 O ATOM 693 CB ASN A 47 -12.573 2.880 -1.438 1.00 0.00 C ATOM 694 CG ASN A 47 -11.766 1.712 -1.040 1.00 0.00 C ATOM 695 OD1 ASN A 47 -12.062 1.048 -0.066 1.00 0.00 O ATOM 696 ND2 ASN A 47 -10.772 1.424 -1.852 1.00 0.00 N ATOM 0 H ASN A 47 -11.490 3.262 0.779 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.529 4.641 -0.682 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -13.357 2.541 -2.115 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.936 3.560 -2.003 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.196 0.600 -1.681 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.577 2.025 -2.653 1.00 0.00 H new ATOM 703 N ASN A 48 -14.290 2.067 1.161 1.00 0.00 N ATOM 704 CA ASN A 48 -15.385 1.303 1.769 1.00 0.00 C ATOM 705 C ASN A 48 -15.992 0.309 0.772 1.00 0.00 C ATOM 706 O ASN A 48 -16.733 -0.592 1.159 1.00 0.00 O ATOM 707 CB ASN A 48 -16.472 2.228 2.333 1.00 0.00 C ATOM 708 CG ASN A 48 -15.991 3.088 3.494 1.00 0.00 C ATOM 709 OD1 ASN A 48 -16.425 4.228 3.649 1.00 0.00 O ATOM 710 ND2 ASN A 48 -15.112 2.547 4.330 1.00 0.00 N ATOM 0 H ASN A 48 -13.373 1.851 1.552 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.959 0.738 2.598 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.836 2.877 1.536 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -17.317 1.624 2.663 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.776 3.080 5.132 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.773 1.598 4.170 1.00 0.00 H new ATOM 717 N ASN A 49 -15.655 0.468 -0.504 1.00 0.00 N ATOM 718 CA ASN A 49 -16.073 -0.462 -1.553 1.00 0.00 C ATOM 719 C ASN A 49 -14.894 -0.772 -2.499 1.00 0.00 C ATOM 720 O ASN A 49 -14.985 -0.584 -3.714 1.00 0.00 O ATOM 721 CB ASN A 49 -17.235 0.153 -2.329 1.00 0.00 C ATOM 722 CG ASN A 49 -17.955 -0.835 -3.235 1.00 0.00 C ATOM 723 OD1 ASN A 49 -18.838 -1.573 -2.797 1.00 0.00 O ATOM 724 ND2 ASN A 49 -17.607 -0.833 -4.510 1.00 0.00 N ATOM 0 H ASN A 49 -15.085 1.244 -0.842 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.396 -1.400 -1.101 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -17.951 0.573 -1.622 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -16.860 0.980 -2.932 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -18.075 -1.457 -5.167 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.871 -0.207 -4.837 1.00 0.00 H new ATOM 731 N PRO A 50 -13.757 -1.220 -1.937 1.00 0.00 N ATOM 732 CA PRO A 50 -12.555 -1.551 -2.699 1.00 0.00 C ATOM 733 C PRO A 50 -12.703 -2.818 -3.520 1.00 0.00 C ATOM 734 O PRO A 50 -13.274 -3.813 -3.070 1.00 0.00 O ATOM 735 CB PRO A 50 -11.481 -1.740 -1.635 1.00 0.00 C ATOM 736 CG PRO A 50 -12.213 -2.045 -0.388 1.00 0.00 C ATOM 737 CD PRO A 50 -13.557 -1.406 -0.508 1.00 0.00 C ATOM 0 HA PRO A 50 -12.325 -0.769 -3.423 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.803 -2.551 -1.901 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.875 -0.841 -1.525 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.308 -3.122 -0.249 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.677 -1.658 0.479 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.335 -2.038 -0.079 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.591 -0.455 0.023 1.00 0.00 H new ATOM 745 N THR A 51 -12.181 -2.767 -4.725 1.00 0.00 N ATOM 746 CA THR A 51 -12.220 -3.897 -5.628 1.00 0.00 C ATOM 747 C THR A 51 -10.804 -4.294 -6.024 1.00 0.00 C ATOM 748 O THR A 51 -9.910 -3.443 -6.091 1.00 0.00 O ATOM 749 CB THR A 51 -13.040 -3.561 -6.892 1.00 0.00 C ATOM 750 OG1 THR A 51 -13.199 -4.721 -7.716 1.00 0.00 O ATOM 751 CG2 THR A 51 -12.382 -2.444 -7.698 1.00 0.00 C ATOM 0 H THR A 51 -11.718 -1.942 -5.107 1.00 0.00 H new ATOM 0 HA THR A 51 -12.700 -4.730 -5.115 1.00 0.00 H new ATOM 0 HB THR A 51 -14.022 -3.219 -6.564 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.723 -4.488 -8.511 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.983 -2.230 -8.582 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.308 -1.547 -7.084 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.384 -2.756 -8.005 1.00 0.00 H new ATOM 759 N CYS A 52 -10.587 -5.572 -6.278 1.00 0.00 N ATOM 760 CA CYS A 52 -9.320 -5.999 -6.823 1.00 0.00 C ATOM 761 C CYS A 52 -9.446 -5.884 -8.332 1.00 0.00 C ATOM 762 O CYS A 52 -10.390 -6.426 -8.911 1.00 0.00 O ATOM 763 CB CYS A 52 -9.026 -7.444 -6.409 1.00 0.00 C ATOM 764 SG CYS A 52 -7.276 -7.928 -6.542 1.00 0.00 S ATOM 0 H CYS A 52 -11.263 -6.319 -6.117 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.498 -5.387 -6.453 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.352 -7.587 -5.379 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.623 -8.114 -7.028 1.00 0.00 H new ATOM 769 N ASP A 53 -8.473 -5.229 -8.953 1.00 0.00 N ATOM 770 CA ASP A 53 -8.598 -4.746 -10.335 1.00 0.00 C ATOM 771 C ASP A 53 -7.709 -3.534 -10.513 1.00 0.00 C ATOM 772 O ASP A 53 -6.886 -3.473 -11.419 1.00 0.00 O ATOM 773 CB ASP A 53 -10.035 -4.299 -10.647 1.00 0.00 C ATOM 774 CG ASP A 53 -10.239 -3.922 -12.099 1.00 0.00 C ATOM 775 OD1 ASP A 53 -10.527 -4.820 -12.916 1.00 0.00 O ATOM 776 OD2 ASP A 53 -10.141 -2.719 -12.426 1.00 0.00 O ATOM 0 H ASP A 53 -7.575 -5.015 -8.520 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.317 -5.563 -10.999 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.724 -5.103 -10.387 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.288 -3.446 -10.018 1.00 0.00 H new ATOM 781 N ILE A 54 -7.898 -2.572 -9.607 1.00 0.00 N ATOM 782 CA ILE A 54 -7.231 -1.281 -9.682 1.00 0.00 C ATOM 783 C ILE A 54 -5.725 -1.436 -9.602 1.00 0.00 C ATOM 784 O ILE A 54 -5.040 -1.594 -10.610 1.00 0.00 O ATOM 785 CB ILE A 54 -7.730 -0.359 -8.545 1.00 0.00 C ATOM 786 CG1 ILE A 54 -9.249 -0.199 -8.643 1.00 0.00 C ATOM 787 CG2 ILE A 54 -7.029 0.997 -8.576 1.00 0.00 C ATOM 788 CD1 ILE A 54 -9.871 0.482 -7.442 1.00 0.00 C ATOM 0 H ILE A 54 -8.518 -2.671 -8.803 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.474 -0.830 -10.644 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.484 -0.822 -7.589 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.487 0.375 -9.538 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.701 -1.183 -8.766 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.404 1.619 -7.763 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.955 0.854 -8.458 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.227 1.487 -9.529 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.949 0.559 -7.585 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.665 -0.102 -6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.448 1.480 -7.330 1.00 0.00 H new ATOM 800 N ASN A 55 -5.223 -1.385 -8.397 1.00 0.00 N ATOM 801 CA ASN A 55 -3.848 -1.684 -8.145 1.00 0.00 C ATOM 802 C ASN A 55 -3.809 -2.966 -7.372 1.00 0.00 C ATOM 803 O ASN A 55 -3.277 -3.028 -6.271 1.00 0.00 O ATOM 804 CB ASN A 55 -3.179 -0.570 -7.361 1.00 0.00 C ATOM 805 CG ASN A 55 -1.686 -0.774 -7.260 1.00 0.00 C ATOM 806 OD1 ASN A 55 -1.065 -1.343 -8.157 1.00 0.00 O ATOM 807 ND2 ASN A 55 -1.091 -0.313 -6.180 1.00 0.00 N ATOM 0 H ASN A 55 -5.759 -1.135 -7.566 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.305 -1.780 -9.085 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.383 0.387 -7.842 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.608 -0.522 -6.360 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.083 -0.422 -6.067 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.638 0.154 -5.456 1.00 0.00 H new ATOM 814 N ASN A 56 -4.466 -3.979 -7.929 1.00 0.00 N ATOM 815 CA ASN A 56 -4.583 -5.274 -7.265 1.00 0.00 C ATOM 816 C ASN A 56 -5.413 -5.074 -6.008 1.00 0.00 C ATOM 817 O ASN A 56 -5.202 -5.728 -5.009 1.00 0.00 O ATOM 818 CB ASN A 56 -3.207 -5.865 -6.869 1.00 0.00 C ATOM 819 CG ASN A 56 -2.073 -5.471 -7.779 1.00 0.00 C ATOM 820 OD1 ASN A 56 -2.195 -5.449 -9.001 1.00 0.00 O ATOM 821 ND2 ASN A 56 -0.968 -5.110 -7.166 1.00 0.00 N ATOM 0 H ASN A 56 -4.926 -3.929 -8.838 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.048 -5.976 -7.957 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.968 -5.548 -5.854 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.283 -6.952 -6.854 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.164 -4.794 -7.708 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.915 -5.145 -6.148 1.00 0.00 H new ATOM 828 N GLY A 57 -6.323 -4.104 -6.052 1.00 0.00 N ATOM 829 CA GLY A 57 -7.141 -3.804 -4.895 1.00 0.00 C ATOM 830 C GLY A 57 -6.512 -2.746 -4.018 1.00 0.00 C ATOM 831 O GLY A 57 -7.140 -2.239 -3.089 1.00 0.00 O ATOM 0 H GLY A 57 -6.506 -3.522 -6.869 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.124 -3.466 -5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.294 -4.713 -4.314 1.00 0.00 H new ATOM 835 N GLY A 58 -5.275 -2.393 -4.336 1.00 0.00 N ATOM 836 CA GLY A 58 -4.532 -1.464 -3.518 1.00 0.00 C ATOM 837 C GLY A 58 -3.267 -2.108 -2.980 1.00 0.00 C ATOM 838 O GLY A 58 -2.646 -1.614 -2.049 1.00 0.00 O ATOM 0 H GLY A 58 -4.772 -2.738 -5.153 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.275 -0.582 -4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.153 -1.125 -2.689 1.00 0.00 H new ATOM 842 N CYS A 59 -2.881 -3.195 -3.622 1.00 0.00 N ATOM 843 CA CYS A 59 -1.757 -4.022 -3.222 1.00 0.00 C ATOM 844 C CYS A 59 -0.600 -3.820 -4.168 1.00 0.00 C ATOM 845 O CYS A 59 -0.642 -3.006 -5.088 1.00 0.00 O ATOM 846 CB CYS A 59 -2.124 -5.510 -3.262 1.00 0.00 C ATOM 847 SG CYS A 59 -3.734 -5.934 -2.529 1.00 0.00 S ATOM 0 H CYS A 59 -3.353 -3.537 -4.459 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.488 -3.730 -2.207 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.118 -5.841 -4.301 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.348 -6.073 -2.743 1.00 0.00 H new ATOM 852 N ASP A 60 0.426 -4.581 -3.918 1.00 0.00 N ATOM 853 CA ASP A 60 1.572 -4.647 -4.781 1.00 0.00 C ATOM 854 C ASP A 60 1.380 -5.879 -5.627 1.00 0.00 C ATOM 855 O ASP A 60 0.757 -6.829 -5.184 1.00 0.00 O ATOM 856 CB ASP A 60 2.804 -4.807 -3.903 1.00 0.00 C ATOM 857 CG ASP A 60 4.107 -4.735 -4.666 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.471 -5.731 -5.326 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.786 -3.697 -4.582 1.00 0.00 O ATOM 0 H ASP A 60 0.492 -5.182 -3.097 1.00 0.00 H new ATOM 0 HA ASP A 60 1.689 -3.761 -5.404 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.798 -4.030 -3.138 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.749 -5.765 -3.385 1.00 0.00 H new ATOM 864 N PRO A 61 1.797 -5.840 -6.895 1.00 0.00 N ATOM 865 CA PRO A 61 1.584 -6.954 -7.818 1.00 0.00 C ATOM 866 C PRO A 61 2.182 -8.258 -7.298 1.00 0.00 C ATOM 867 O PRO A 61 1.862 -9.339 -7.790 1.00 0.00 O ATOM 868 CB PRO A 61 2.301 -6.516 -9.096 1.00 0.00 C ATOM 869 CG PRO A 61 2.451 -5.041 -8.998 1.00 0.00 C ATOM 870 CD PRO A 61 2.466 -4.698 -7.538 1.00 0.00 C ATOM 0 HA PRO A 61 0.523 -7.158 -7.962 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.273 -7.002 -9.184 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.726 -6.792 -9.980 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.372 -4.714 -9.480 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.629 -4.535 -9.505 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.484 -4.572 -7.168 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.938 -3.765 -7.342 1.00 0.00 H new ATOM 878 N THR A 62 3.068 -8.140 -6.320 1.00 0.00 N ATOM 879 CA THR A 62 3.656 -9.297 -5.668 1.00 0.00 C ATOM 880 C THR A 62 2.852 -9.654 -4.423 1.00 0.00 C ATOM 881 O THR A 62 2.967 -10.750 -3.875 1.00 0.00 O ATOM 882 CB THR A 62 5.121 -9.014 -5.305 1.00 0.00 C ATOM 883 OG1 THR A 62 5.194 -8.041 -4.253 1.00 0.00 O ATOM 884 CG2 THR A 62 5.846 -8.474 -6.524 1.00 0.00 C ATOM 0 H THR A 62 3.397 -7.245 -5.959 1.00 0.00 H new ATOM 0 HA THR A 62 3.631 -10.144 -6.353 1.00 0.00 H new ATOM 0 HB THR A 62 5.585 -9.942 -4.970 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.221 -7.141 -4.641 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.886 -8.272 -6.269 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.805 -9.210 -7.327 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.368 -7.551 -6.853 1.00 0.00 H new ATOM 892 N ALA A 63 2.027 -8.710 -3.996 1.00 0.00 N ATOM 893 CA ALA A 63 1.098 -8.929 -2.908 1.00 0.00 C ATOM 894 C ALA A 63 -0.159 -9.607 -3.437 1.00 0.00 C ATOM 895 O ALA A 63 -1.031 -8.956 -4.004 1.00 0.00 O ATOM 896 CB ALA A 63 0.750 -7.610 -2.222 1.00 0.00 C ATOM 0 H ALA A 63 1.986 -7.773 -4.396 1.00 0.00 H new ATOM 0 HA ALA A 63 1.566 -9.578 -2.168 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.051 -7.797 -1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.658 -7.156 -1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.293 -6.934 -2.944 1.00 0.00 H new ATOM 902 N SER A 64 -0.217 -10.923 -3.261 1.00 0.00 N ATOM 903 CA SER A 64 -1.351 -11.732 -3.696 1.00 0.00 C ATOM 904 C SER A 64 -2.653 -11.120 -3.188 1.00 0.00 C ATOM 905 O SER A 64 -2.923 -11.136 -1.986 1.00 0.00 O ATOM 906 CB SER A 64 -1.177 -13.162 -3.166 1.00 0.00 C ATOM 907 OG SER A 64 -2.166 -14.047 -3.666 1.00 0.00 O ATOM 0 H SER A 64 0.524 -11.461 -2.811 1.00 0.00 H new ATOM 0 HA SER A 64 -1.392 -11.759 -4.785 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.189 -13.531 -3.442 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.220 -13.151 -2.077 1.00 0.00 H new ATOM 0 HG SER A 64 -2.972 -13.983 -3.113 1.00 0.00 H new ATOM 913 N CYS A 65 -3.430 -10.554 -4.104 1.00 0.00 N ATOM 914 CA CYS A 65 -4.655 -9.861 -3.738 1.00 0.00 C ATOM 915 C CYS A 65 -5.837 -10.802 -3.690 1.00 0.00 C ATOM 916 O CYS A 65 -6.011 -11.669 -4.547 1.00 0.00 O ATOM 917 CB CYS A 65 -4.971 -8.721 -4.707 1.00 0.00 C ATOM 918 SG CYS A 65 -6.697 -8.130 -4.604 1.00 0.00 S ATOM 0 H CYS A 65 -3.232 -10.562 -5.105 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.485 -9.449 -2.743 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.298 -7.888 -4.506 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.770 -9.055 -5.725 1.00 0.00 H new ATOM 923 N GLN A 66 -6.635 -10.615 -2.667 1.00 0.00 N ATOM 924 CA GLN A 66 -7.890 -11.313 -2.514 1.00 0.00 C ATOM 925 C GLN A 66 -8.978 -10.281 -2.290 1.00 0.00 C ATOM 926 O GLN A 66 -8.802 -9.365 -1.484 1.00 0.00 O ATOM 927 CB GLN A 66 -7.832 -12.251 -1.312 1.00 0.00 C ATOM 928 CG GLN A 66 -6.449 -12.799 -1.055 1.00 0.00 C ATOM 929 CD GLN A 66 -6.168 -14.070 -1.826 1.00 0.00 C ATOM 930 OE1 GLN A 66 -5.029 -14.347 -2.193 1.00 0.00 O ATOM 931 NE2 GLN A 66 -7.203 -14.858 -2.058 1.00 0.00 N ATOM 0 H GLN A 66 -6.429 -9.966 -1.907 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.094 -11.904 -3.407 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.176 -11.718 -0.426 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.521 -13.080 -1.472 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.709 -12.045 -1.324 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.333 -12.993 0.011 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.132 -14.588 -1.735 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -7.073 -15.736 -2.560 1.00 0.00 H new ATOM 940 N ASN A 67 -10.078 -10.394 -3.007 1.00 0.00 N ATOM 941 CA ASN A 67 -11.200 -9.497 -2.783 1.00 0.00 C ATOM 942 C ASN A 67 -12.158 -10.091 -1.781 1.00 0.00 C ATOM 943 O ASN A 67 -12.546 -11.257 -1.866 1.00 0.00 O ATOM 944 CB ASN A 67 -11.928 -9.135 -4.075 1.00 0.00 C ATOM 945 CG ASN A 67 -12.074 -10.308 -5.036 1.00 0.00 C ATOM 946 OD1 ASN A 67 -12.082 -11.467 -4.630 1.00 0.00 O ATOM 947 ND2 ASN A 67 -12.208 -10.018 -6.319 1.00 0.00 N ATOM 0 H ASN A 67 -10.221 -11.088 -3.741 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.792 -8.570 -2.380 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.918 -8.750 -3.830 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.388 -8.331 -4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.322 -10.767 -7.002 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.197 -9.045 -6.626 1.00 0.00 H new ATOM 954 N ALA A 68 -12.529 -9.272 -0.833 1.00 0.00 N ATOM 955 CA ALA A 68 -13.299 -9.720 0.305 1.00 0.00 C ATOM 956 C ALA A 68 -14.178 -8.600 0.835 1.00 0.00 C ATOM 957 O ALA A 68 -13.912 -7.423 0.593 1.00 0.00 O ATOM 958 CB ALA A 68 -12.356 -10.213 1.383 1.00 0.00 C ATOM 0 H ALA A 68 -12.308 -8.276 -0.824 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.952 -10.537 -0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.933 -10.552 2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.762 -11.040 0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.694 -9.402 1.686 1.00 0.00 H new ATOM 964 N GLU A 69 -15.229 -8.966 1.543 1.00 0.00 N ATOM 965 CA GLU A 69 -16.106 -7.990 2.149 1.00 0.00 C ATOM 966 C GLU A 69 -16.068 -8.111 3.663 1.00 0.00 C ATOM 967 O GLU A 69 -16.568 -9.074 4.250 1.00 0.00 O ATOM 968 CB GLU A 69 -17.526 -8.149 1.618 1.00 0.00 C ATOM 969 CG GLU A 69 -17.632 -7.890 0.122 1.00 0.00 C ATOM 970 CD GLU A 69 -18.974 -8.275 -0.459 1.00 0.00 C ATOM 971 OE1 GLU A 69 -19.968 -7.568 -0.196 1.00 0.00 O ATOM 972 OE2 GLU A 69 -19.037 -9.289 -1.186 1.00 0.00 O ATOM 0 H GLU A 69 -15.495 -9.936 1.712 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.758 -6.992 1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -17.878 -9.158 1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -18.186 -7.462 2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -17.451 -6.832 -0.070 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -16.848 -8.446 -0.392 1.00 0.00 H new ATOM 979 N SER A 70 -15.456 -7.125 4.273 1.00 0.00 N ATOM 980 CA SER A 70 -15.268 -7.082 5.708 1.00 0.00 C ATOM 981 C SER A 70 -15.756 -5.749 6.244 1.00 0.00 C ATOM 982 O SER A 70 -15.886 -4.789 5.484 1.00 0.00 O ATOM 983 CB SER A 70 -13.780 -7.268 6.034 1.00 0.00 C ATOM 984 OG SER A 70 -13.530 -7.157 7.425 1.00 0.00 O ATOM 0 H SER A 70 -15.069 -6.319 3.783 1.00 0.00 H new ATOM 0 HA SER A 70 -15.839 -7.884 6.177 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.450 -8.245 5.682 1.00 0.00 H new ATOM 0 HB3 SER A 70 -13.194 -6.521 5.498 1.00 0.00 H new ATOM 0 HG SER A 70 -12.762 -7.716 7.665 1.00 0.00 H new ATOM 990 N THR A 71 -16.026 -5.687 7.542 1.00 0.00 N ATOM 991 CA THR A 71 -16.394 -4.434 8.182 1.00 0.00 C ATOM 992 C THR A 71 -15.238 -3.441 8.077 1.00 0.00 C ATOM 993 O THR A 71 -15.440 -2.227 8.052 1.00 0.00 O ATOM 994 CB THR A 71 -16.779 -4.644 9.665 1.00 0.00 C ATOM 995 OG1 THR A 71 -17.070 -3.384 10.287 1.00 0.00 O ATOM 996 CG2 THR A 71 -15.665 -5.350 10.427 1.00 0.00 C ATOM 0 H THR A 71 -15.997 -6.490 8.170 1.00 0.00 H new ATOM 0 HA THR A 71 -17.267 -4.035 7.665 1.00 0.00 H new ATOM 0 HB THR A 71 -17.668 -5.274 9.694 1.00 0.00 H new ATOM 0 HG1 THR A 71 -17.314 -3.531 11.225 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.964 -5.484 11.467 1.00 0.00 H new ATOM 0 HG22 THR A 71 -15.476 -6.324 9.975 1.00 0.00 H new ATOM 0 HG23 THR A 71 -14.757 -4.748 10.385 1.00 0.00 H new ATOM 1004 N GLU A 72 -14.029 -3.980 7.999 1.00 0.00 N ATOM 1005 CA GLU A 72 -12.839 -3.182 7.774 1.00 0.00 C ATOM 1006 C GLU A 72 -12.598 -3.042 6.284 1.00 0.00 C ATOM 1007 O GLU A 72 -12.508 -4.043 5.576 1.00 0.00 O ATOM 1008 CB GLU A 72 -11.624 -3.858 8.391 1.00 0.00 C ATOM 1009 CG GLU A 72 -11.617 -3.874 9.901 1.00 0.00 C ATOM 1010 CD GLU A 72 -11.292 -2.523 10.491 1.00 0.00 C ATOM 1011 OE1 GLU A 72 -12.223 -1.720 10.706 1.00 0.00 O ATOM 1012 OE2 GLU A 72 -10.100 -2.263 10.749 1.00 0.00 O ATOM 0 H GLU A 72 -13.849 -4.980 8.090 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.988 -2.204 8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.572 -4.885 8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.725 -3.351 8.041 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.592 -4.200 10.262 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.887 -4.605 10.250 1.00 0.00 H new ATOM 1019 N ASN A 73 -12.511 -1.813 5.801 1.00 0.00 N ATOM 1020 CA ASN A 73 -12.125 -1.580 4.414 1.00 0.00 C ATOM 1021 C ASN A 73 -10.725 -2.108 4.174 1.00 0.00 C ATOM 1022 O ASN A 73 -10.430 -2.651 3.112 1.00 0.00 O ATOM 1023 CB ASN A 73 -12.203 -0.093 4.038 1.00 0.00 C ATOM 1024 CG ASN A 73 -11.725 0.834 5.145 1.00 0.00 C ATOM 1025 OD1 ASN A 73 -10.839 0.492 5.924 1.00 0.00 O ATOM 1026 ND2 ASN A 73 -12.319 2.010 5.230 1.00 0.00 N ATOM 0 H ASN A 73 -12.700 -0.968 6.340 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.831 -2.114 3.778 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.603 0.080 3.144 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.233 0.157 3.784 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.046 2.668 5.960 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -13.051 2.261 4.566 1.00 0.00 H new ATOM 1033 N SER A 74 -9.881 -1.975 5.183 1.00 0.00 N ATOM 1034 CA SER A 74 -8.515 -2.447 5.106 1.00 0.00 C ATOM 1035 C SER A 74 -8.463 -3.970 5.017 1.00 0.00 C ATOM 1036 O SER A 74 -7.523 -4.531 4.463 1.00 0.00 O ATOM 1037 CB SER A 74 -7.735 -1.951 6.319 1.00 0.00 C ATOM 1038 OG SER A 74 -8.062 -0.600 6.600 1.00 0.00 O ATOM 0 H SER A 74 -10.124 -1.539 6.072 1.00 0.00 H new ATOM 0 HA SER A 74 -8.058 -2.050 4.200 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.962 -2.574 7.184 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.665 -2.041 6.133 1.00 0.00 H new ATOM 0 HG SER A 74 -7.555 -0.296 7.382 1.00 0.00 H new ATOM 1044 N LYS A 75 -9.482 -4.641 5.551 1.00 0.00 N ATOM 1045 CA LYS A 75 -9.533 -6.098 5.510 1.00 0.00 C ATOM 1046 C LYS A 75 -10.346 -6.573 4.317 1.00 0.00 C ATOM 1047 O LYS A 75 -10.596 -7.767 4.169 1.00 0.00 O ATOM 1048 CB LYS A 75 -10.142 -6.675 6.792 1.00 0.00 C ATOM 1049 CG LYS A 75 -9.409 -6.318 8.075 1.00 0.00 C ATOM 1050 CD LYS A 75 -7.962 -6.791 8.069 1.00 0.00 C ATOM 1051 CE LYS A 75 -7.032 -5.736 7.496 1.00 0.00 C ATOM 1052 NZ LYS A 75 -5.608 -6.165 7.519 1.00 0.00 N ATOM 0 H LYS A 75 -10.278 -4.201 6.014 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.506 -6.452 5.419 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.173 -6.329 6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.176 -7.761 6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.434 -5.237 8.216 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.930 -6.762 8.923 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.654 -7.035 9.086 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.880 -7.706 7.483 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.326 -5.515 6.470 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.140 -4.812 8.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.012 -5.413 7.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.317 -6.351 8.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.497 -7.032 6.955 1.00 0.00 H new ATOM 1066 N LYS A 76 -10.773 -5.644 3.473 1.00 0.00 N ATOM 1067 CA LYS A 76 -11.538 -6.015 2.299 1.00 0.00 C ATOM 1068 C LYS A 76 -10.613 -6.491 1.203 1.00 0.00 C ATOM 1069 O LYS A 76 -10.910 -7.438 0.482 1.00 0.00 O ATOM 1070 CB LYS A 76 -12.375 -4.868 1.774 1.00 0.00 C ATOM 1071 CG LYS A 76 -13.464 -4.425 2.722 1.00 0.00 C ATOM 1072 CD LYS A 76 -14.468 -3.544 2.011 1.00 0.00 C ATOM 1073 CE LYS A 76 -14.804 -2.285 2.782 1.00 0.00 C ATOM 1074 NZ LYS A 76 -15.251 -2.563 4.171 1.00 0.00 N ATOM 0 H LYS A 76 -10.604 -4.644 3.579 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.212 -6.817 2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.722 -4.021 1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.828 -5.164 0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.968 -5.298 3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.025 -3.882 3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.073 -3.269 1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.382 -4.112 1.838 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.928 -1.637 2.810 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.587 -1.740 2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.254 -2.306 4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.131 -3.575 4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.682 -2.003 4.837 1.00 0.00 H new ATOM 1088 N ILE A 77 -9.492 -5.810 1.064 1.00 0.00 N ATOM 1089 CA ILE A 77 -8.497 -6.210 0.099 1.00 0.00 C ATOM 1090 C ILE A 77 -7.330 -6.842 0.818 1.00 0.00 C ATOM 1091 O ILE A 77 -6.659 -6.211 1.638 1.00 0.00 O ATOM 1092 CB ILE A 77 -8.002 -5.029 -0.756 1.00 0.00 C ATOM 1093 CG1 ILE A 77 -9.171 -4.361 -1.478 1.00 0.00 C ATOM 1094 CG2 ILE A 77 -6.965 -5.495 -1.767 1.00 0.00 C ATOM 1095 CD1 ILE A 77 -9.946 -5.308 -2.363 1.00 0.00 C ATOM 0 H ILE A 77 -9.252 -4.981 1.607 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.961 -6.927 -0.578 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.538 -4.301 -0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.847 -3.930 -0.739 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.792 -3.537 -2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.628 -4.645 -2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.115 -5.930 -1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.408 -6.244 -2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.762 -4.770 -2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.283 -5.720 -3.124 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.354 -6.119 -1.759 1.00 0.00 H new ATOM 1107 N ILE A 78 -7.121 -8.101 0.526 1.00 0.00 N ATOM 1108 CA ILE A 78 -6.066 -8.864 1.152 1.00 0.00 C ATOM 1109 C ILE A 78 -4.827 -8.839 0.276 1.00 0.00 C ATOM 1110 O ILE A 78 -4.850 -9.325 -0.851 1.00 0.00 O ATOM 1111 CB ILE A 78 -6.490 -10.330 1.408 1.00 0.00 C ATOM 1112 CG1 ILE A 78 -7.730 -10.413 2.311 1.00 0.00 C ATOM 1113 CG2 ILE A 78 -5.343 -11.106 2.026 1.00 0.00 C ATOM 1114 CD1 ILE A 78 -9.027 -10.050 1.611 1.00 0.00 C ATOM 0 H ILE A 78 -7.675 -8.627 -0.150 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.852 -8.404 2.117 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.749 -10.772 0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.813 -11.426 2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.591 -9.749 3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.653 -12.136 2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.489 -11.095 1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.061 -10.646 2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.856 -10.133 2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.966 -9.027 1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.192 -10.729 0.775 1.00 0.00 H new ATOM 1126 N CYS A 79 -3.764 -8.252 0.791 1.00 0.00 N ATOM 1127 CA CYS A 79 -2.528 -8.132 0.050 1.00 0.00 C ATOM 1128 C CYS A 79 -1.431 -8.942 0.730 1.00 0.00 C ATOM 1129 O CYS A 79 -0.991 -8.619 1.834 1.00 0.00 O ATOM 1130 CB CYS A 79 -2.137 -6.663 -0.044 1.00 0.00 C ATOM 1131 SG CYS A 79 -3.511 -5.584 -0.547 1.00 0.00 S ATOM 0 H CYS A 79 -3.734 -7.849 1.727 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.665 -8.525 -0.957 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.760 -6.332 0.924 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.320 -6.556 -0.758 1.00 0.00 H new ATOM 1136 N THR A 80 -0.998 -9.994 0.062 1.00 0.00 N ATOM 1137 CA THR A 80 -0.035 -10.925 0.623 1.00 0.00 C ATOM 1138 C THR A 80 1.296 -10.858 -0.111 1.00 0.00 C ATOM 1139 O THR A 80 1.417 -11.339 -1.236 1.00 0.00 O ATOM 1140 CB THR A 80 -0.575 -12.361 0.549 1.00 0.00 C ATOM 1141 OG1 THR A 80 -1.825 -12.451 1.242 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.424 -13.342 1.140 1.00 0.00 C ATOM 0 H THR A 80 -1.302 -10.228 -0.883 1.00 0.00 H new ATOM 0 HA THR A 80 0.124 -10.642 1.663 1.00 0.00 H new ATOM 0 HB THR A 80 -0.730 -12.619 -0.499 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.163 -13.369 1.189 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.022 -14.353 1.078 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.359 -13.289 0.583 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.608 -13.089 2.184 1.00 0.00 H new ATOM 1150 N CYS A 81 2.303 -10.303 0.534 1.00 0.00 N ATOM 1151 CA CYS A 81 3.605 -10.160 -0.092 1.00 0.00 C ATOM 1152 C CYS A 81 4.365 -11.481 0.050 1.00 0.00 C ATOM 1153 O CYS A 81 4.291 -12.141 1.088 1.00 0.00 O ATOM 1154 CB CYS A 81 4.380 -9.005 0.551 1.00 0.00 C ATOM 1155 SG CYS A 81 3.381 -7.516 0.898 1.00 0.00 S ATOM 0 H CYS A 81 2.247 -9.945 1.487 1.00 0.00 H new ATOM 0 HA CYS A 81 3.487 -9.927 -1.150 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.821 -9.356 1.484 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.204 -8.728 -0.106 1.00 0.00 H new ATOM 1160 N LYS A 82 5.086 -11.859 -1.001 1.00 0.00 N ATOM 1161 CA LYS A 82 5.622 -13.215 -1.141 1.00 0.00 C ATOM 1162 C LYS A 82 6.879 -13.470 -0.304 1.00 0.00 C ATOM 1163 O LYS A 82 7.325 -12.611 0.458 1.00 0.00 O ATOM 1164 CB LYS A 82 5.929 -13.492 -2.615 1.00 0.00 C ATOM 1165 CG LYS A 82 4.739 -13.291 -3.535 1.00 0.00 C ATOM 1166 CD LYS A 82 3.648 -14.316 -3.285 1.00 0.00 C ATOM 1167 CE LYS A 82 2.411 -14.013 -4.111 1.00 0.00 C ATOM 1168 NZ LYS A 82 1.481 -15.171 -4.164 1.00 0.00 N ATOM 0 H LYS A 82 5.316 -11.240 -1.778 1.00 0.00 H new ATOM 0 HA LYS A 82 4.855 -13.892 -0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.740 -12.839 -2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.286 -14.517 -2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.335 -12.289 -3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.067 -13.357 -4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.018 -15.312 -3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.389 -14.324 -2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.894 -13.152 -3.688 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.709 -13.740 -5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.692 -14.953 -4.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.989 -16.009 -4.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.110 -15.362 -3.211 1.00 0.00 H new ATOM 1182 N GLU A 83 7.430 -14.670 -0.464 1.00 0.00 N ATOM 1183 CA GLU A 83 8.635 -15.120 0.248 1.00 0.00 C ATOM 1184 C GLU A 83 9.777 -14.083 0.278 1.00 0.00 C ATOM 1185 O GLU A 83 10.303 -13.799 1.354 1.00 0.00 O ATOM 1186 CB GLU A 83 9.147 -16.419 -0.376 1.00 0.00 C ATOM 1187 CG GLU A 83 8.131 -17.541 -0.366 1.00 0.00 C ATOM 1188 CD GLU A 83 8.658 -18.804 -1.007 1.00 0.00 C ATOM 1189 OE1 GLU A 83 9.382 -19.563 -0.329 1.00 0.00 O ATOM 1190 OE2 GLU A 83 8.364 -19.041 -2.197 1.00 0.00 O ATOM 0 H GLU A 83 7.051 -15.372 -1.100 1.00 0.00 H new ATOM 0 HA GLU A 83 8.332 -15.273 1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.449 -16.223 -1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.038 -16.743 0.161 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.839 -17.754 0.663 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.232 -17.218 -0.892 1.00 0.00 H new ATOM 1197 N PRO A 84 10.175 -13.478 -0.871 1.00 0.00 N ATOM 1198 CA PRO A 84 11.344 -12.586 -0.913 1.00 0.00 C ATOM 1199 C PRO A 84 11.040 -11.235 -0.297 1.00 0.00 C ATOM 1200 O PRO A 84 11.833 -10.293 -0.368 1.00 0.00 O ATOM 1201 CB PRO A 84 11.621 -12.438 -2.401 1.00 0.00 C ATOM 1202 CG PRO A 84 10.293 -12.602 -3.050 1.00 0.00 C ATOM 1203 CD PRO A 84 9.517 -13.563 -2.190 1.00 0.00 C ATOM 0 HA PRO A 84 12.188 -12.983 -0.349 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.055 -11.464 -2.628 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.328 -13.191 -2.749 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.777 -11.645 -3.126 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.401 -12.988 -4.064 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.465 -13.284 -2.129 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.555 -14.576 -2.590 1.00 0.00 H new ATOM 1211 N THR A 85 9.869 -11.150 0.289 1.00 0.00 N ATOM 1212 CA THR A 85 9.431 -9.952 0.946 1.00 0.00 C ATOM 1213 C THR A 85 9.182 -10.248 2.432 1.00 0.00 C ATOM 1214 O THR A 85 8.066 -10.543 2.854 1.00 0.00 O ATOM 1215 CB THR A 85 8.157 -9.391 0.261 1.00 0.00 C ATOM 1216 OG1 THR A 85 6.985 -10.072 0.693 1.00 0.00 O ATOM 1217 CG2 THR A 85 8.245 -9.550 -1.247 1.00 0.00 C ATOM 0 H THR A 85 9.195 -11.915 0.321 1.00 0.00 H new ATOM 0 HA THR A 85 10.207 -9.190 0.868 1.00 0.00 H new ATOM 0 HB THR A 85 8.095 -8.338 0.537 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.237 -10.829 1.262 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.342 -9.150 -1.708 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.114 -9.007 -1.620 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.343 -10.607 -1.496 1.00 0.00 H new ATOM 1225 N PRO A 86 10.236 -10.217 3.259 1.00 0.00 N ATOM 1226 CA PRO A 86 10.103 -10.422 4.706 1.00 0.00 C ATOM 1227 C PRO A 86 9.348 -9.270 5.353 1.00 0.00 C ATOM 1228 O PRO A 86 9.062 -9.275 6.548 1.00 0.00 O ATOM 1229 CB PRO A 86 11.558 -10.457 5.197 1.00 0.00 C ATOM 1230 CG PRO A 86 12.367 -10.725 3.979 1.00 0.00 C ATOM 1231 CD PRO A 86 11.644 -10.028 2.871 1.00 0.00 C ATOM 0 HA PRO A 86 9.544 -11.324 4.955 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.842 -9.512 5.659 1.00 0.00 H new ATOM 0 HB3 PRO A 86 11.703 -11.235 5.947 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.382 -10.344 4.088 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.447 -11.795 3.786 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.912 -8.973 2.809 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.863 -10.471 1.899 1.00 0.00 H new ATOM 1239 N ASN A 87 9.025 -8.281 4.531 1.00 0.00 N ATOM 1240 CA ASN A 87 8.409 -7.053 4.980 1.00 0.00 C ATOM 1241 C ASN A 87 7.440 -6.562 3.924 1.00 0.00 C ATOM 1242 O ASN A 87 7.267 -7.204 2.883 1.00 0.00 O ATOM 1243 CB ASN A 87 9.475 -5.991 5.203 1.00 0.00 C ATOM 1244 CG ASN A 87 10.698 -6.537 5.900 1.00 0.00 C ATOM 1245 OD1 ASN A 87 10.773 -6.598 7.127 1.00 0.00 O ATOM 1246 ND2 ASN A 87 11.674 -6.920 5.097 1.00 0.00 N ATOM 0 H ASN A 87 9.187 -8.315 3.525 1.00 0.00 H new ATOM 0 HA ASN A 87 7.880 -7.240 5.914 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.767 -5.567 4.242 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.055 -5.178 5.796 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.541 -7.288 5.488 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.560 -6.848 4.086 1.00 0.00 H new ATOM 1253 N ALA A 88 6.836 -5.420 4.173 1.00 0.00 N ATOM 1254 CA ALA A 88 5.931 -4.813 3.219 1.00 0.00 C ATOM 1255 C ALA A 88 6.026 -3.303 3.309 1.00 0.00 C ATOM 1256 O ALA A 88 6.355 -2.759 4.363 1.00 0.00 O ATOM 1257 CB ALA A 88 4.505 -5.271 3.483 1.00 0.00 C ATOM 0 H ALA A 88 6.956 -4.889 5.035 1.00 0.00 H new ATOM 0 HA ALA A 88 6.213 -5.124 2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.834 -4.808 2.759 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.448 -6.355 3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.210 -4.978 4.491 1.00 0.00 H new ATOM 1263 N TYR A 89 5.775 -2.631 2.200 1.00 0.00 N ATOM 1264 CA TYR A 89 5.667 -1.188 2.208 1.00 0.00 C ATOM 1265 C TYR A 89 4.290 -0.867 2.799 1.00 0.00 C ATOM 1266 O TYR A 89 3.261 -1.034 2.133 1.00 0.00 O ATOM 1267 CB TYR A 89 5.805 -0.603 0.783 1.00 0.00 C ATOM 1268 CG TYR A 89 6.964 -1.117 -0.054 1.00 0.00 C ATOM 1269 CD1 TYR A 89 8.063 -1.767 0.494 1.00 0.00 C ATOM 1270 CD2 TYR A 89 6.947 -0.927 -1.427 1.00 0.00 C ATOM 1271 CE1 TYR A 89 9.099 -2.198 -0.310 1.00 0.00 C ATOM 1272 CE2 TYR A 89 7.966 -1.358 -2.234 1.00 0.00 C ATOM 1273 CZ TYR A 89 9.041 -1.990 -1.679 1.00 0.00 C ATOM 1274 OH TYR A 89 10.071 -2.400 -2.492 1.00 0.00 O ATOM 0 H TYR A 89 5.643 -3.063 1.285 1.00 0.00 H new ATOM 0 HA TYR A 89 6.468 -0.742 2.798 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.880 -0.802 0.242 1.00 0.00 H new ATOM 0 HB3 TYR A 89 5.899 0.480 0.867 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.107 -1.937 1.560 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.103 -0.423 -1.875 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.952 -2.696 0.126 1.00 0.00 H new ATOM 0 HE2 TYR A 89 7.919 -1.199 -3.301 1.00 0.00 H new ATOM 0 HH TYR A 89 9.863 -2.175 -3.423 1.00 0.00 H new ATOM 1284 N TYR A 90 4.290 -0.448 4.058 1.00 0.00 N ATOM 1285 CA TYR A 90 3.072 -0.310 4.857 1.00 0.00 C ATOM 1286 C TYR A 90 2.413 -1.670 5.102 1.00 0.00 C ATOM 1287 O TYR A 90 3.019 -2.563 5.696 1.00 0.00 O ATOM 1288 CB TYR A 90 2.069 0.678 4.242 1.00 0.00 C ATOM 1289 CG TYR A 90 1.468 1.607 5.279 1.00 0.00 C ATOM 1290 CD1 TYR A 90 0.917 1.107 6.454 1.00 0.00 C ATOM 1291 CD2 TYR A 90 1.477 2.983 5.103 1.00 0.00 C ATOM 1292 CE1 TYR A 90 0.385 1.949 7.413 1.00 0.00 C ATOM 1293 CE2 TYR A 90 0.953 3.830 6.058 1.00 0.00 C ATOM 1294 CZ TYR A 90 0.410 3.309 7.210 1.00 0.00 C ATOM 1295 OH TYR A 90 -0.111 4.155 8.164 1.00 0.00 O ATOM 0 H TYR A 90 5.140 -0.192 4.560 1.00 0.00 H new ATOM 0 HA TYR A 90 3.378 0.105 5.817 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.568 1.269 3.474 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.271 0.123 3.749 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.904 0.040 6.621 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.902 3.399 4.202 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.047 1.542 8.315 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.969 4.899 5.902 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.014 5.084 7.866 1.00 0.00 H new ATOM 1305 N GLU A 91 1.183 -1.833 4.639 1.00 0.00 N ATOM 1306 CA GLU A 91 0.399 -3.025 4.969 1.00 0.00 C ATOM 1307 C GLU A 91 0.490 -4.102 3.887 1.00 0.00 C ATOM 1308 O GLU A 91 -0.061 -5.194 4.042 1.00 0.00 O ATOM 1309 CB GLU A 91 -1.071 -2.652 5.163 1.00 0.00 C ATOM 1310 CG GLU A 91 -1.289 -1.330 5.869 1.00 0.00 C ATOM 1311 CD GLU A 91 -2.713 -1.174 6.343 1.00 0.00 C ATOM 1312 OE1 GLU A 91 -3.018 -1.613 7.473 1.00 0.00 O ATOM 1313 OE2 GLU A 91 -3.530 -0.624 5.583 1.00 0.00 O ATOM 0 H GLU A 91 0.704 -1.163 4.037 1.00 0.00 H new ATOM 0 HA GLU A 91 0.818 -3.429 5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.556 -2.614 4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.562 -3.441 5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.613 -1.257 6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.040 -0.512 5.193 1.00 0.00 H new ATOM 1320 N GLY A 92 1.187 -3.808 2.805 1.00 0.00 N ATOM 1321 CA GLY A 92 1.148 -4.681 1.646 1.00 0.00 C ATOM 1322 C GLY A 92 0.618 -3.938 0.450 1.00 0.00 C ATOM 1323 O GLY A 92 0.398 -4.515 -0.616 1.00 0.00 O ATOM 0 H GLY A 92 1.779 -2.984 2.704 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.148 -5.060 1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.517 -5.545 1.854 1.00 0.00 H new ATOM 1327 N VAL A 93 0.391 -2.641 0.655 1.00 0.00 N ATOM 1328 CA VAL A 93 0.006 -1.736 -0.409 1.00 0.00 C ATOM 1329 C VAL A 93 1.076 -1.762 -1.493 1.00 0.00 C ATOM 1330 O VAL A 93 0.813 -1.544 -2.675 1.00 0.00 O ATOM 1331 CB VAL A 93 -0.149 -0.296 0.141 1.00 0.00 C ATOM 1332 CG1 VAL A 93 -0.749 0.616 -0.900 1.00 0.00 C ATOM 1333 CG2 VAL A 93 -0.983 -0.281 1.417 1.00 0.00 C ATOM 0 H VAL A 93 0.471 -2.195 1.569 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.950 -2.053 -0.825 1.00 0.00 H new ATOM 0 HB VAL A 93 0.846 0.075 0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.848 1.621 -0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.101 0.644 -1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.732 0.243 -1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.075 0.743 1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.975 -0.682 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.497 -0.893 2.177 1.00 0.00 H new ATOM 1343 N PHE A 94 2.294 -2.002 -1.040 1.00 0.00 N ATOM 1344 CA PHE A 94 3.423 -2.271 -1.890 1.00 0.00 C ATOM 1345 C PHE A 94 4.396 -3.154 -1.100 1.00 0.00 C ATOM 1346 O PHE A 94 4.332 -3.172 0.123 1.00 0.00 O ATOM 1347 CB PHE A 94 4.112 -0.984 -2.433 1.00 0.00 C ATOM 1348 CG PHE A 94 3.878 0.369 -1.740 1.00 0.00 C ATOM 1349 CD1 PHE A 94 3.037 0.552 -0.644 1.00 0.00 C ATOM 1350 CD2 PHE A 94 4.532 1.486 -2.237 1.00 0.00 C ATOM 1351 CE1 PHE A 94 2.859 1.796 -0.074 1.00 0.00 C ATOM 1352 CE2 PHE A 94 4.353 2.732 -1.668 1.00 0.00 C ATOM 1353 CZ PHE A 94 3.517 2.887 -0.586 1.00 0.00 C ATOM 0 H PHE A 94 2.523 -2.014 -0.046 1.00 0.00 H new ATOM 0 HA PHE A 94 3.078 -2.788 -2.785 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.187 -1.167 -2.431 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.810 -0.870 -3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.513 -0.298 -0.232 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.193 1.380 -3.084 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.202 1.912 0.775 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.871 3.588 -2.074 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.379 3.862 -0.142 1.00 0.00 H new ATOM 1363 N CYS A 95 5.245 -3.931 -1.774 1.00 0.00 N ATOM 1364 CA CYS A 95 6.201 -4.809 -1.071 1.00 0.00 C ATOM 1365 C CYS A 95 7.490 -4.977 -1.888 1.00 0.00 C ATOM 1366 O CYS A 95 7.476 -4.846 -3.110 1.00 0.00 O ATOM 1367 CB CYS A 95 5.592 -6.200 -0.789 1.00 0.00 C ATOM 1368 SG CYS A 95 3.770 -6.243 -0.643 1.00 0.00 S ATOM 0 H CYS A 95 5.296 -3.976 -2.792 1.00 0.00 H new ATOM 0 HA CYS A 95 6.434 -4.331 -0.120 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.892 -6.878 -1.588 1.00 0.00 H new ATOM 0 HB3 CYS A 95 6.023 -6.586 0.135 1.00 0.00 H new ATOM 1373 N SER A 96 8.611 -5.258 -1.212 1.00 0.00 N ATOM 1374 CA SER A 96 9.890 -5.438 -1.904 1.00 0.00 C ATOM 1375 C SER A 96 10.239 -6.905 -1.988 1.00 0.00 C ATOM 1376 O SER A 96 10.406 -7.564 -0.964 1.00 0.00 O ATOM 1377 CB SER A 96 11.024 -4.711 -1.175 1.00 0.00 C ATOM 1378 OG SER A 96 12.205 -4.672 -1.957 1.00 0.00 O ATOM 0 H SER A 96 8.658 -5.364 -0.199 1.00 0.00 H new ATOM 0 HA SER A 96 9.780 -5.019 -2.904 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.711 -3.695 -0.936 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.229 -5.212 -0.229 1.00 0.00 H new ATOM 0 HG SER A 96 12.908 -4.200 -1.464 1.00 0.00 H new ATOM 1384 N SER A 97 10.395 -7.400 -3.199 1.00 0.00 N ATOM 1385 CA SER A 97 10.724 -8.799 -3.407 1.00 0.00 C ATOM 1386 C SER A 97 12.211 -8.971 -3.644 1.00 0.00 C ATOM 1387 O SER A 97 12.650 -9.894 -4.329 1.00 0.00 O ATOM 1388 CB SER A 97 9.949 -9.349 -4.595 1.00 0.00 C ATOM 1389 OG SER A 97 8.552 -9.339 -4.354 1.00 0.00 O ATOM 0 H SER A 97 10.300 -6.855 -4.056 1.00 0.00 H new ATOM 0 HA SER A 97 10.447 -9.351 -2.509 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.170 -8.755 -5.482 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.276 -10.368 -4.804 1.00 0.00 H new ATOM 0 HG SER A 97 8.083 -9.697 -5.136 1.00 0.00 H new ATOM 1395 N SER A 98 12.975 -8.082 -3.064 1.00 0.00 N ATOM 1396 CA SER A 98 14.399 -8.028 -3.307 1.00 0.00 C ATOM 1397 C SER A 98 15.204 -8.490 -2.096 1.00 0.00 C ATOM 1398 O SER A 98 16.432 -8.378 -2.091 1.00 0.00 O ATOM 1399 CB SER A 98 14.790 -6.603 -3.697 1.00 0.00 C ATOM 1400 OG SER A 98 13.995 -6.151 -4.782 1.00 0.00 O ATOM 0 H SER A 98 12.632 -7.376 -2.412 1.00 0.00 H new ATOM 0 HA SER A 98 14.632 -8.712 -4.123 1.00 0.00 H new ATOM 0 HB2 SER A 98 14.663 -5.938 -2.843 1.00 0.00 H new ATOM 0 HB3 SER A 98 15.844 -6.571 -3.972 1.00 0.00 H new ATOM 0 HG SER A 98 14.255 -5.237 -5.020 1.00 0.00 H new ATOM 1406 N SER A 99 14.530 -9.018 -1.080 1.00 0.00 N ATOM 1407 CA SER A 99 15.232 -9.500 0.096 1.00 0.00 C ATOM 1408 C SER A 99 15.454 -11.002 -0.004 1.00 0.00 C ATOM 1409 O SER A 99 14.513 -11.770 0.267 1.00 0.00 O ATOM 1410 CB SER A 99 14.501 -9.134 1.392 1.00 0.00 C ATOM 1411 OG SER A 99 15.238 -9.538 2.535 1.00 0.00 O ATOM 1412 OXT SER A 99 16.576 -11.410 -0.375 1.00 0.00 O ATOM 0 H SER A 99 13.516 -9.121 -1.049 1.00 0.00 H new ATOM 0 HA SER A 99 16.202 -9.004 0.132 1.00 0.00 H new ATOM 0 HB2 SER A 99 14.335 -8.057 1.426 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.520 -9.608 1.404 1.00 0.00 H new ATOM 0 HG SER A 99 15.098 -10.495 2.693 1.00 0.00 H new