USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 516 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 Single : A 1 ASN : amide:sc= -0.0348 K(o=-0.035,f=-1.9!) USER MOD Single : A 1 ASN N :NH3+ -151:sc= 0.154 (180deg=0.0105) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0.35 K(o=0.35,f=-3.4!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -160:sc= 0.0271 USER MOD Single : A 35 SER OG : rot -53:sc= 1.2 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.165 X(o=-0.17,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.0861 X(o=-0.086,f=-0.086) USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0168) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 61 SER OG : rot -121:sc= 0.3 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.1) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.0149 X(o=-0.015,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 17.444 45.467 33.472 1.00 20.00 N ATOM 2 CA ASN A 1 18.026 44.528 32.493 1.00 20.00 C ATOM 3 C ASN A 1 18.020 43.104 33.053 1.00 20.00 C ATOM 4 O ASN A 1 18.560 42.862 34.132 1.00 20.00 O ATOM 5 CB ASN A 1 19.436 44.976 32.039 1.00 20.00 C ATOM 6 CG ASN A 1 20.524 44.934 33.118 1.00 20.00 C ATOM 7 OD1 ASN A 1 20.342 45.428 34.228 1.00 20.00 O ATOM 8 ND2 ASN A 1 21.681 44.364 32.783 1.00 20.00 N ATOM 0 H1 ASN A 1 17.005 46.265 32.969 1.00 20.00 H new ATOM 0 H2 ASN A 1 16.723 44.976 34.038 1.00 20.00 H new ATOM 0 H3 ASN A 1 18.193 45.823 34.099 1.00 20.00 H new ATOM 0 HA ASN A 1 17.403 44.534 31.599 1.00 20.00 H new ATOM 0 HB2 ASN A 1 19.749 44.343 31.208 1.00 20.00 H new ATOM 0 HB3 ASN A 1 19.368 45.994 31.656 1.00 20.00 H new ATOM 0 HD21 ASN A 1 22.446 44.329 33.456 1.00 20.00 H new ATOM 0 HD22 ASN A 1 21.801 43.962 31.853 1.00 20.00 H new ATOM 17 N GLU A 2 17.407 42.169 32.313 1.00 20.00 N ATOM 18 CA GLU A 2 17.389 40.744 32.645 1.00 20.00 C ATOM 19 C GLU A 2 18.164 39.944 31.601 1.00 20.00 C ATOM 20 O GLU A 2 19.032 39.159 31.968 1.00 20.00 O ATOM 21 CB GLU A 2 15.946 40.228 32.785 1.00 20.00 C ATOM 22 CG GLU A 2 15.896 38.862 33.484 1.00 20.00 C ATOM 23 CD GLU A 2 16.347 38.896 34.948 1.00 20.00 C ATOM 24 OE1 GLU A 2 15.478 39.141 35.815 1.00 20.00 O ATOM 25 OE2 GLU A 2 17.550 38.652 35.194 1.00 20.00 O ATOM 0 H GLU A 2 16.903 42.389 31.454 1.00 20.00 H new ATOM 0 HA GLU A 2 17.880 40.609 33.609 1.00 20.00 H new ATOM 0 HB2 GLU A 2 15.355 40.948 33.351 1.00 20.00 H new ATOM 0 HB3 GLU A 2 15.491 40.148 31.798 1.00 20.00 H new ATOM 0 HG2 GLU A 2 14.877 38.478 33.437 1.00 20.00 H new ATOM 0 HG3 GLU A 2 16.526 38.161 32.936 1.00 20.00 H new ATOM 32 N CYS A 3 17.866 40.144 30.312 1.00 20.00 N ATOM 33 CA CYS A 3 18.451 39.376 29.221 1.00 20.00 C ATOM 34 C CYS A 3 19.975 39.567 29.123 1.00 20.00 C ATOM 35 O CYS A 3 20.705 38.587 28.973 1.00 20.00 O ATOM 36 CB CYS A 3 17.721 39.759 27.931 1.00 20.00 C ATOM 37 SG CYS A 3 17.902 38.588 26.568 1.00 20.00 S ATOM 0 H CYS A 3 17.203 40.854 30.000 1.00 20.00 H new ATOM 0 HA CYS A 3 18.319 38.310 29.407 1.00 20.00 H new ATOM 0 HB2 CYS A 3 16.660 39.872 28.153 1.00 20.00 H new ATOM 0 HB3 CYS A 3 18.084 40.733 27.603 1.00 20.00 H new ATOM 42 N VAL A 4 20.461 40.811 29.268 1.00 20.00 N ATOM 43 CA VAL A 4 21.891 41.132 29.321 1.00 20.00 C ATOM 44 C VAL A 4 22.509 40.654 30.645 1.00 20.00 C ATOM 45 O VAL A 4 23.625 40.136 30.639 1.00 20.00 O ATOM 46 CB VAL A 4 22.104 42.650 29.114 1.00 20.00 C ATOM 47 CG1 VAL A 4 23.588 43.045 29.214 1.00 20.00 C ATOM 48 CG2 VAL A 4 21.585 43.097 27.737 1.00 20.00 C ATOM 0 H VAL A 4 19.860 41.631 29.353 1.00 20.00 H new ATOM 0 HA VAL A 4 22.399 40.605 28.514 1.00 20.00 H new ATOM 0 HB VAL A 4 21.546 43.145 29.909 1.00 20.00 H new ATOM 0 HG11 VAL A 4 23.690 44.120 29.062 1.00 20.00 H new ATOM 0 HG12 VAL A 4 23.969 42.780 30.200 1.00 20.00 H new ATOM 0 HG13 VAL A 4 24.158 42.515 28.451 1.00 20.00 H new ATOM 0 HG21 VAL A 4 21.747 44.168 27.617 1.00 20.00 H new ATOM 0 HG22 VAL A 4 22.120 42.559 26.954 1.00 20.00 H new ATOM 0 HG23 VAL A 4 20.519 42.881 27.662 1.00 20.00 H new ATOM 58 N SER A 5 21.785 40.810 31.765 1.00 20.00 N ATOM 59 CA SER A 5 22.231 40.433 33.109 1.00 20.00 C ATOM 60 C SER A 5 22.477 38.922 33.256 1.00 20.00 C ATOM 61 O SER A 5 23.400 38.518 33.964 1.00 20.00 O ATOM 62 CB SER A 5 21.185 40.915 34.121 1.00 20.00 C ATOM 63 OG SER A 5 21.622 40.700 35.443 1.00 20.00 O ATOM 0 H SER A 5 20.848 41.213 31.757 1.00 20.00 H new ATOM 0 HA SER A 5 23.192 40.911 33.297 1.00 20.00 H new ATOM 0 HB2 SER A 5 20.988 41.976 33.968 1.00 20.00 H new ATOM 0 HB3 SER A 5 20.245 40.389 33.955 1.00 20.00 H new ATOM 0 HG SER A 5 20.938 41.017 36.069 1.00 20.00 H new ATOM 69 N LYS A 6 21.683 38.096 32.560 1.00 20.00 N ATOM 70 CA LYS A 6 21.816 36.641 32.487 1.00 20.00 C ATOM 71 C LYS A 6 22.992 36.196 31.601 1.00 20.00 C ATOM 72 O LYS A 6 23.443 35.060 31.743 1.00 20.00 O ATOM 73 CB LYS A 6 20.512 36.055 31.929 1.00 20.00 C ATOM 74 CG LYS A 6 19.309 36.115 32.886 1.00 20.00 C ATOM 75 CD LYS A 6 19.328 34.998 33.934 1.00 20.00 C ATOM 76 CE LYS A 6 18.098 35.132 34.835 1.00 20.00 C ATOM 77 NZ LYS A 6 18.087 34.098 35.885 1.00 20.00 N ATOM 0 H LYS A 6 20.897 38.443 32.010 1.00 20.00 H new ATOM 0 HA LYS A 6 22.015 36.275 33.494 1.00 20.00 H new ATOM 0 HB2 LYS A 6 20.255 36.587 31.013 1.00 20.00 H new ATOM 0 HB3 LYS A 6 20.687 35.015 31.655 1.00 20.00 H new ATOM 0 HG2 LYS A 6 19.300 37.081 33.391 1.00 20.00 H new ATOM 0 HG3 LYS A 6 18.387 36.049 32.308 1.00 20.00 H new ATOM 0 HD2 LYS A 6 19.331 34.024 33.445 1.00 20.00 H new ATOM 0 HD3 LYS A 6 20.239 35.058 34.530 1.00 20.00 H new ATOM 0 HE2 LYS A 6 18.088 36.120 35.295 1.00 20.00 H new ATOM 0 HE3 LYS A 6 17.193 35.051 34.233 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 17.241 34.215 36.479 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 18.073 33.156 35.444 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 18.939 34.192 36.474 1.00 20.00 H new ATOM 91 N GLY A 7 23.497 37.070 30.714 1.00 20.00 N ATOM 92 CA GLY A 7 24.659 36.822 29.863 1.00 20.00 C ATOM 93 C GLY A 7 24.319 36.407 28.425 1.00 20.00 C ATOM 94 O GLY A 7 25.203 35.904 27.730 1.00 20.00 O ATOM 0 H GLY A 7 23.091 37.995 30.570 1.00 20.00 H new ATOM 0 HA2 GLY A 7 25.270 37.724 29.832 1.00 20.00 H new ATOM 0 HA3 GLY A 7 25.267 36.041 30.319 1.00 20.00 H new ATOM 98 N PHE A 8 23.065 36.589 27.979 1.00 20.00 N ATOM 99 CA PHE A 8 22.616 36.264 26.622 1.00 20.00 C ATOM 100 C PHE A 8 23.100 37.293 25.587 1.00 20.00 C ATOM 101 O PHE A 8 23.735 38.290 25.938 1.00 20.00 O ATOM 102 CB PHE A 8 21.087 36.117 26.611 1.00 20.00 C ATOM 103 CG PHE A 8 20.549 35.145 27.648 1.00 20.00 C ATOM 104 CD1 PHE A 8 19.519 35.538 28.521 1.00 20.00 C ATOM 105 CD2 PHE A 8 21.085 33.848 27.755 1.00 20.00 C ATOM 106 CE1 PHE A 8 19.026 34.641 29.483 1.00 20.00 C ATOM 107 CE2 PHE A 8 20.592 32.953 28.720 1.00 20.00 C ATOM 108 CZ PHE A 8 19.557 33.346 29.583 1.00 20.00 C ATOM 0 H PHE A 8 22.324 36.973 28.565 1.00 20.00 H new ATOM 0 HA PHE A 8 23.063 35.314 26.329 1.00 20.00 H new ATOM 0 HB2 PHE A 8 20.638 37.096 26.779 1.00 20.00 H new ATOM 0 HB3 PHE A 8 20.772 35.787 25.621 1.00 20.00 H new ATOM 0 HD1 PHE A 8 19.105 36.533 28.452 1.00 20.00 H new ATOM 0 HD2 PHE A 8 21.879 33.539 27.092 1.00 20.00 H new ATOM 0 HE1 PHE A 8 18.234 34.950 30.149 1.00 20.00 H new ATOM 0 HE2 PHE A 8 21.011 31.960 28.798 1.00 20.00 H new ATOM 0 HZ PHE A 8 19.172 32.656 30.319 1.00 20.00 H new ATOM 118 N GLY A 9 22.823 37.021 24.301 1.00 20.00 N ATOM 119 CA GLY A 9 23.536 37.644 23.177 1.00 20.00 C ATOM 120 C GLY A 9 22.714 38.472 22.194 1.00 20.00 C ATOM 121 O GLY A 9 23.267 38.984 21.223 1.00 20.00 O ATOM 0 H GLY A 9 22.099 36.363 24.013 1.00 20.00 H new ATOM 0 HA2 GLY A 9 24.316 38.286 23.587 1.00 20.00 H new ATOM 0 HA3 GLY A 9 24.035 36.854 22.616 1.00 20.00 H new ATOM 125 N CYS A 10 21.415 38.593 22.464 1.00 20.00 N ATOM 126 CA CYS A 10 20.372 39.220 21.646 1.00 20.00 C ATOM 127 C CYS A 10 20.586 39.045 20.127 1.00 20.00 C ATOM 128 O CYS A 10 20.744 40.027 19.397 1.00 20.00 O ATOM 129 CB CYS A 10 20.192 40.702 22.022 1.00 20.00 C ATOM 130 SG CYS A 10 19.811 41.088 23.746 1.00 20.00 S ATOM 0 H CYS A 10 21.030 38.224 23.334 1.00 20.00 H new ATOM 0 HA CYS A 10 19.448 38.689 21.875 1.00 20.00 H new ATOM 0 HB2 CYS A 10 21.107 41.230 21.754 1.00 20.00 H new ATOM 0 HB3 CYS A 10 19.394 41.111 21.402 1.00 20.00 H new ATOM 135 N LEU A 11 20.586 37.794 19.642 1.00 20.00 N ATOM 136 CA LEU A 11 20.630 37.486 18.208 1.00 20.00 C ATOM 137 C LEU A 11 19.316 37.936 17.532 1.00 20.00 C ATOM 138 O LEU A 11 18.291 38.017 18.208 1.00 20.00 O ATOM 139 CB LEU A 11 20.839 35.971 18.010 1.00 20.00 C ATOM 140 CG LEU A 11 22.306 35.493 18.067 1.00 20.00 C ATOM 141 CD1 LEU A 11 22.984 35.732 19.423 1.00 20.00 C ATOM 142 CD2 LEU A 11 22.345 33.990 17.755 1.00 20.00 C ATOM 0 H LEU A 11 20.555 36.966 20.237 1.00 20.00 H new ATOM 0 HA LEU A 11 21.461 38.022 17.750 1.00 20.00 H new ATOM 0 HB2 LEU A 11 20.271 35.440 18.774 1.00 20.00 H new ATOM 0 HB3 LEU A 11 20.419 35.686 17.045 1.00 20.00 H new ATOM 0 HG LEU A 11 22.858 36.079 17.332 1.00 20.00 H new ATOM 0 HD11 LEU A 11 24.011 35.370 19.385 1.00 20.00 H new ATOM 0 HD12 LEU A 11 22.983 36.799 19.647 1.00 20.00 H new ATOM 0 HD13 LEU A 11 22.440 35.197 20.201 1.00 20.00 H new ATOM 0 HD21 LEU A 11 23.376 33.637 17.792 1.00 20.00 H new ATOM 0 HD22 LEU A 11 21.750 33.450 18.492 1.00 20.00 H new ATOM 0 HD23 LEU A 11 21.936 33.814 16.760 1.00 20.00 H new ATOM 154 N PRO A 12 19.303 38.185 16.206 1.00 20.00 N ATOM 155 CA PRO A 12 18.080 38.496 15.466 1.00 20.00 C ATOM 156 C PRO A 12 17.195 37.252 15.311 1.00 20.00 C ATOM 157 O PRO A 12 17.659 36.127 15.501 1.00 20.00 O ATOM 158 CB PRO A 12 18.567 39.025 14.112 1.00 20.00 C ATOM 159 CG PRO A 12 19.872 38.263 13.892 1.00 20.00 C ATOM 160 CD PRO A 12 20.449 38.155 15.304 1.00 20.00 C ATOM 0 HA PRO A 12 17.458 39.227 15.982 1.00 20.00 H new ATOM 0 HB2 PRO A 12 17.846 38.827 13.319 1.00 20.00 H new ATOM 0 HB3 PRO A 12 18.728 40.103 14.135 1.00 20.00 H new ATOM 0 HG2 PRO A 12 19.697 37.282 13.451 1.00 20.00 H new ATOM 0 HG3 PRO A 12 20.544 38.798 13.221 1.00 20.00 H new ATOM 0 HD2 PRO A 12 21.017 37.233 15.425 1.00 20.00 H new ATOM 0 HD3 PRO A 12 21.131 38.979 15.511 1.00 20.00 H new ATOM 168 N GLN A 13 15.927 37.458 14.926 1.00 20.00 N ATOM 169 CA GLN A 13 14.980 36.377 14.655 1.00 20.00 C ATOM 170 C GLN A 13 15.498 35.472 13.521 1.00 20.00 C ATOM 171 O GLN A 13 15.354 34.254 13.601 1.00 20.00 O ATOM 172 CB GLN A 13 13.601 36.938 14.264 1.00 20.00 C ATOM 173 CG GLN A 13 12.862 37.726 15.363 1.00 20.00 C ATOM 174 CD GLN A 13 13.300 39.183 15.545 1.00 20.00 C ATOM 175 OE1 GLN A 13 14.088 39.735 14.782 1.00 20.00 O ATOM 176 NE2 GLN A 13 12.757 39.840 16.566 1.00 20.00 N ATOM 0 H GLN A 13 15.531 38.389 14.794 1.00 20.00 H new ATOM 0 HA GLN A 13 14.880 35.791 15.569 1.00 20.00 H new ATOM 0 HB2 GLN A 13 13.726 37.589 13.399 1.00 20.00 H new ATOM 0 HB3 GLN A 13 12.968 36.108 13.950 1.00 20.00 H new ATOM 0 HG2 GLN A 13 11.795 37.712 15.139 1.00 20.00 H new ATOM 0 HG3 GLN A 13 12.996 37.205 16.311 1.00 20.00 H new ATOM 0 HE21 GLN A 13 12.104 39.365 17.189 1.00 20.00 H new ATOM 0 HE22 GLN A 13 12.993 40.819 16.726 1.00 20.00 H new ATOM 185 N SER A 14 16.118 36.060 12.484 1.00 20.00 N ATOM 186 CA SER A 14 16.626 35.385 11.292 1.00 20.00 C ATOM 187 C SER A 14 17.817 34.442 11.535 1.00 20.00 C ATOM 188 O SER A 14 18.156 33.676 10.632 1.00 20.00 O ATOM 189 CB SER A 14 16.992 36.454 10.254 1.00 20.00 C ATOM 190 OG SER A 14 18.014 37.309 10.719 1.00 20.00 O ATOM 0 H SER A 14 16.283 37.066 12.459 1.00 20.00 H new ATOM 0 HA SER A 14 15.830 34.731 10.936 1.00 20.00 H new ATOM 0 HB2 SER A 14 17.315 35.970 9.332 1.00 20.00 H new ATOM 0 HB3 SER A 14 16.108 37.043 10.012 1.00 20.00 H new ATOM 0 HG SER A 14 18.221 37.975 10.031 1.00 20.00 H new ATOM 196 N ASP A 15 18.426 34.457 12.734 1.00 20.00 N ATOM 197 CA ASP A 15 19.562 33.610 13.104 1.00 20.00 C ATOM 198 C ASP A 15 19.234 32.758 14.337 1.00 20.00 C ATOM 199 O ASP A 15 19.502 31.557 14.325 1.00 20.00 O ATOM 200 CB ASP A 15 20.810 34.484 13.311 1.00 20.00 C ATOM 201 CG ASP A 15 22.098 33.657 13.320 1.00 20.00 C ATOM 202 OD1 ASP A 15 22.823 33.701 12.300 1.00 20.00 O ATOM 203 OD2 ASP A 15 22.347 32.978 14.340 1.00 20.00 O ATOM 0 H ASP A 15 18.130 35.076 13.488 1.00 20.00 H new ATOM 0 HA ASP A 15 19.772 32.911 12.294 1.00 20.00 H new ATOM 0 HB2 ASP A 15 20.865 35.230 12.519 1.00 20.00 H new ATOM 0 HB3 ASP A 15 20.721 35.025 14.253 1.00 20.00 H new ATOM 208 N CYS A 16 18.626 33.359 15.373 1.00 20.00 N ATOM 209 CA CYS A 16 18.159 32.680 16.574 1.00 20.00 C ATOM 210 C CYS A 16 17.022 31.700 16.227 1.00 20.00 C ATOM 211 O CYS A 16 15.979 32.150 15.742 1.00 20.00 O ATOM 212 CB CYS A 16 17.656 33.711 17.596 1.00 20.00 C ATOM 213 SG CYS A 16 17.310 32.996 19.224 1.00 20.00 S ATOM 0 H CYS A 16 18.444 34.363 15.390 1.00 20.00 H new ATOM 0 HA CYS A 16 18.990 32.121 17.003 1.00 20.00 H new ATOM 0 HB2 CYS A 16 18.401 34.499 17.704 1.00 20.00 H new ATOM 0 HB3 CYS A 16 16.750 34.180 17.213 1.00 20.00 H new ATOM 218 N PRO A 17 17.173 30.383 16.478 1.00 20.00 N ATOM 219 CA PRO A 17 16.088 29.424 16.297 1.00 20.00 C ATOM 220 C PRO A 17 14.973 29.685 17.321 1.00 20.00 C ATOM 221 O PRO A 17 15.216 30.255 18.385 1.00 20.00 O ATOM 222 CB PRO A 17 16.736 28.047 16.456 1.00 20.00 C ATOM 223 CG PRO A 17 17.897 28.312 17.409 1.00 20.00 C ATOM 224 CD PRO A 17 18.344 29.725 17.038 1.00 20.00 C ATOM 0 HA PRO A 17 15.607 29.503 15.322 1.00 20.00 H new ATOM 0 HB2 PRO A 17 16.037 27.319 16.867 1.00 20.00 H new ATOM 0 HB3 PRO A 17 17.082 27.653 15.501 1.00 20.00 H new ATOM 0 HG2 PRO A 17 17.584 28.250 18.451 1.00 20.00 H new ATOM 0 HG3 PRO A 17 18.701 27.588 17.274 1.00 20.00 H new ATOM 0 HD2 PRO A 17 18.711 30.261 17.914 1.00 20.00 H new ATOM 0 HD3 PRO A 17 19.160 29.699 16.315 1.00 20.00 H new ATOM 232 N GLN A 18 13.744 29.273 16.986 1.00 20.00 N ATOM 233 CA GLN A 18 12.519 29.663 17.698 1.00 20.00 C ATOM 234 C GLN A 18 12.430 29.047 19.104 1.00 20.00 C ATOM 235 O GLN A 18 11.710 29.558 19.961 1.00 20.00 O ATOM 236 CB GLN A 18 11.294 29.281 16.848 1.00 20.00 C ATOM 237 CG GLN A 18 11.176 30.159 15.590 1.00 20.00 C ATOM 238 CD GLN A 18 10.102 29.659 14.622 1.00 20.00 C ATOM 239 OE1 GLN A 18 8.949 29.466 15.001 1.00 20.00 O ATOM 240 NE2 GLN A 18 10.464 29.472 13.354 1.00 20.00 N ATOM 0 H GLN A 18 13.569 28.648 16.199 1.00 20.00 H new ATOM 0 HA GLN A 18 12.543 30.743 17.843 1.00 20.00 H new ATOM 0 HB2 GLN A 18 11.367 28.234 16.555 1.00 20.00 H new ATOM 0 HB3 GLN A 18 10.389 29.382 17.448 1.00 20.00 H new ATOM 0 HG2 GLN A 18 10.945 31.182 15.886 1.00 20.00 H new ATOM 0 HG3 GLN A 18 12.138 30.185 15.078 1.00 20.00 H new ATOM 0 HE21 GLN A 18 11.429 29.640 13.069 1.00 20.00 H new ATOM 0 HE22 GLN A 18 9.776 29.160 12.668 1.00 20.00 H new ATOM 249 N GLU A 19 13.195 27.977 19.332 1.00 20.00 N ATOM 250 CA GLU A 19 13.384 27.268 20.589 1.00 20.00 C ATOM 251 C GLU A 19 14.286 28.032 21.570 1.00 20.00 C ATOM 252 O GLU A 19 14.003 28.046 22.767 1.00 20.00 O ATOM 253 CB GLU A 19 13.951 25.867 20.291 1.00 20.00 C ATOM 254 CG GLU A 19 15.059 25.822 19.219 1.00 20.00 C ATOM 255 CD GLU A 19 15.605 24.408 19.016 1.00 20.00 C ATOM 256 OE1 GLU A 19 14.790 23.493 18.765 1.00 20.00 O ATOM 257 OE2 GLU A 19 16.841 24.246 19.110 1.00 20.00 O ATOM 0 H GLU A 19 13.739 27.555 18.580 1.00 20.00 H new ATOM 0 HA GLU A 19 12.415 27.180 21.080 1.00 20.00 H new ATOM 0 HB2 GLU A 19 14.346 25.448 21.217 1.00 20.00 H new ATOM 0 HB3 GLU A 19 13.133 25.221 19.972 1.00 20.00 H new ATOM 0 HG2 GLU A 19 14.665 26.197 18.275 1.00 20.00 H new ATOM 0 HG3 GLU A 19 15.873 26.486 19.511 1.00 20.00 H new ATOM 264 N ALA A 20 15.350 28.676 21.070 1.00 20.00 N ATOM 265 CA ALA A 20 16.293 29.460 21.866 1.00 20.00 C ATOM 266 C ALA A 20 15.766 30.859 22.239 1.00 20.00 C ATOM 267 O ALA A 20 16.385 31.526 23.067 1.00 20.00 O ATOM 268 CB ALA A 20 17.619 29.571 21.105 1.00 20.00 C ATOM 0 H ALA A 20 15.581 28.663 20.076 1.00 20.00 H new ATOM 0 HA ALA A 20 16.437 28.935 22.810 1.00 20.00 H new ATOM 0 HB1 ALA A 20 18.328 30.155 21.692 1.00 20.00 H new ATOM 0 HB2 ALA A 20 18.024 28.574 20.933 1.00 20.00 H new ATOM 0 HB3 ALA A 20 17.449 30.064 20.148 1.00 20.00 H new ATOM 274 N ARG A 21 14.634 31.302 21.664 1.00 20.00 N ATOM 275 CA ARG A 21 14.015 32.596 21.963 1.00 20.00 C ATOM 276 C ARG A 21 13.429 32.597 23.379 1.00 20.00 C ATOM 277 O ARG A 21 12.529 31.814 23.690 1.00 20.00 O ATOM 278 CB ARG A 21 12.937 32.949 20.925 1.00 20.00 C ATOM 279 CG ARG A 21 13.551 33.179 19.538 1.00 20.00 C ATOM 280 CD ARG A 21 12.480 33.507 18.498 1.00 20.00 C ATOM 281 NE ARG A 21 13.015 33.363 17.137 1.00 20.00 N ATOM 282 CZ ARG A 21 12.344 33.630 16.009 1.00 20.00 C ATOM 283 NH1 ARG A 21 11.135 34.194 16.024 1.00 20.00 N ATOM 284 NH2 ARG A 21 12.886 33.316 14.836 1.00 20.00 N ATOM 0 H ARG A 21 14.120 30.760 20.969 1.00 20.00 H new ATOM 0 HA ARG A 21 14.790 33.361 21.910 1.00 20.00 H new ATOM 0 HB2 ARG A 21 12.204 32.144 20.871 1.00 20.00 H new ATOM 0 HB3 ARG A 21 12.404 33.845 21.242 1.00 20.00 H new ATOM 0 HG2 ARG A 21 14.272 33.995 19.589 1.00 20.00 H new ATOM 0 HG3 ARG A 21 14.099 32.289 19.229 1.00 20.00 H new ATOM 0 HD2 ARG A 21 11.624 32.845 18.629 1.00 20.00 H new ATOM 0 HD3 ARG A 21 12.121 34.525 18.647 1.00 20.00 H new ATOM 0 HE ARG A 21 13.976 33.033 17.044 1.00 20.00 H new ATOM 0 HH11 ARG A 21 10.696 34.435 16.912 1.00 20.00 H new ATOM 0 HH12 ARG A 21 10.650 34.384 15.147 1.00 20.00 H new ATOM 0 HH21 ARG A 21 13.805 32.876 14.801 1.00 20.00 H new ATOM 0 HH22 ARG A 21 12.382 33.516 13.972 1.00 20.00 H new ATOM 298 N LEU A 22 13.968 33.480 24.228 1.00 20.00 N ATOM 299 CA LEU A 22 13.572 33.668 25.623 1.00 20.00 C ATOM 300 C LEU A 22 12.423 34.683 25.750 1.00 20.00 C ATOM 301 O LEU A 22 11.999 35.297 24.768 1.00 20.00 O ATOM 302 CB LEU A 22 14.795 34.147 26.423 1.00 20.00 C ATOM 303 CG LEU A 22 15.945 33.124 26.504 1.00 20.00 C ATOM 304 CD1 LEU A 22 17.253 33.878 26.768 1.00 20.00 C ATOM 305 CD2 LEU A 22 15.671 32.107 27.617 1.00 20.00 C ATOM 0 H LEU A 22 14.722 34.107 23.948 1.00 20.00 H new ATOM 0 HA LEU A 22 13.212 32.718 26.019 1.00 20.00 H new ATOM 0 HB2 LEU A 22 15.173 35.064 25.971 1.00 20.00 H new ATOM 0 HB3 LEU A 22 14.476 34.398 27.435 1.00 20.00 H new ATOM 0 HG LEU A 22 16.024 32.577 25.564 1.00 20.00 H new ATOM 0 HD11 LEU A 22 18.077 33.167 26.828 1.00 20.00 H new ATOM 0 HD12 LEU A 22 17.438 34.581 25.955 1.00 20.00 H new ATOM 0 HD13 LEU A 22 17.175 34.423 27.709 1.00 20.00 H new ATOM 0 HD21 LEU A 22 16.490 31.390 27.664 1.00 20.00 H new ATOM 0 HD22 LEU A 22 15.588 32.626 28.572 1.00 20.00 H new ATOM 0 HD23 LEU A 22 14.740 31.581 27.408 1.00 20.00 H new ATOM 317 N SER A 23 11.941 34.864 26.988 1.00 20.00 N ATOM 318 CA SER A 23 10.811 35.726 27.339 1.00 20.00 C ATOM 319 C SER A 23 11.217 37.041 28.028 1.00 20.00 C ATOM 320 O SER A 23 10.355 37.898 28.224 1.00 20.00 O ATOM 321 CB SER A 23 9.816 34.929 28.192 1.00 20.00 C ATOM 322 OG SER A 23 10.390 34.540 29.424 1.00 20.00 O ATOM 0 H SER A 23 12.344 34.396 27.799 1.00 20.00 H new ATOM 0 HA SER A 23 10.339 36.036 26.407 1.00 20.00 H new ATOM 0 HB2 SER A 23 8.928 35.533 28.377 1.00 20.00 H new ATOM 0 HB3 SER A 23 9.492 34.044 27.644 1.00 20.00 H new ATOM 0 HG SER A 23 9.732 34.035 29.947 1.00 20.00 H new ATOM 328 N TYR A 24 12.504 37.227 28.369 1.00 20.00 N ATOM 329 CA TYR A 24 13.046 38.463 28.933 1.00 20.00 C ATOM 330 C TYR A 24 13.077 39.601 27.896 1.00 20.00 C ATOM 331 O TYR A 24 12.830 39.382 26.708 1.00 20.00 O ATOM 332 CB TYR A 24 14.460 38.183 29.472 1.00 20.00 C ATOM 333 CG TYR A 24 14.586 36.945 30.343 1.00 20.00 C ATOM 334 CD1 TYR A 24 15.450 35.901 29.959 1.00 20.00 C ATOM 335 CD2 TYR A 24 13.826 36.823 31.522 1.00 20.00 C ATOM 336 CE1 TYR A 24 15.557 34.741 30.747 1.00 20.00 C ATOM 337 CE2 TYR A 24 13.932 35.670 32.319 1.00 20.00 C ATOM 338 CZ TYR A 24 14.802 34.624 31.935 1.00 20.00 C ATOM 339 OH TYR A 24 14.909 33.502 32.702 1.00 20.00 O ATOM 0 H TYR A 24 13.210 36.499 28.255 1.00 20.00 H new ATOM 0 HA TYR A 24 12.396 38.792 29.744 1.00 20.00 H new ATOM 0 HB2 TYR A 24 15.141 38.084 28.627 1.00 20.00 H new ATOM 0 HB3 TYR A 24 14.790 39.048 30.047 1.00 20.00 H new ATOM 0 HD1 TYR A 24 16.033 35.992 29.055 1.00 20.00 H new ATOM 0 HD2 TYR A 24 13.158 37.619 31.815 1.00 20.00 H new ATOM 0 HE1 TYR A 24 16.216 33.941 30.444 1.00 20.00 H new ATOM 0 HE2 TYR A 24 13.349 35.583 33.224 1.00 20.00 H new ATOM 0 HH TYR A 24 14.324 33.583 33.484 1.00 20.00 H new ATOM 349 N GLY A 25 13.412 40.815 28.359 1.00 20.00 N ATOM 350 CA GLY A 25 13.503 42.024 27.544 1.00 20.00 C ATOM 351 C GLY A 25 14.855 42.731 27.681 1.00 20.00 C ATOM 352 O GLY A 25 15.719 42.315 28.456 1.00 20.00 O ATOM 0 H GLY A 25 13.633 40.982 29.341 1.00 20.00 H new ATOM 0 HA2 GLY A 25 13.338 41.765 26.498 1.00 20.00 H new ATOM 0 HA3 GLY A 25 12.708 42.712 27.832 1.00 20.00 H new ATOM 356 N GLY A 26 15.012 43.817 26.912 1.00 20.00 N ATOM 357 CA GLY A 26 16.181 44.693 26.900 1.00 20.00 C ATOM 358 C GLY A 26 17.041 44.587 25.630 1.00 20.00 C ATOM 359 O GLY A 26 17.997 45.349 25.495 1.00 20.00 O ATOM 0 H GLY A 26 14.293 44.118 26.254 1.00 20.00 H new ATOM 0 HA2 GLY A 26 15.848 45.725 27.014 1.00 20.00 H new ATOM 0 HA3 GLY A 26 16.802 44.462 27.765 1.00 20.00 H new ATOM 363 N CYS A 27 16.712 43.671 24.705 1.00 20.00 N ATOM 364 CA CYS A 27 17.375 43.502 23.410 1.00 20.00 C ATOM 365 C CYS A 27 16.944 44.565 22.386 1.00 20.00 C ATOM 366 O CYS A 27 16.110 45.423 22.678 1.00 20.00 O ATOM 367 CB CYS A 27 17.066 42.095 22.883 1.00 20.00 C ATOM 368 SG CYS A 27 17.807 40.752 23.838 1.00 20.00 S ATOM 0 H CYS A 27 15.951 43.007 24.847 1.00 20.00 H new ATOM 0 HA CYS A 27 18.448 43.629 23.554 1.00 20.00 H new ATOM 0 HB2 CYS A 27 15.985 41.957 22.866 1.00 20.00 H new ATOM 0 HB3 CYS A 27 17.412 42.024 21.852 1.00 20.00 H new ATOM 373 N SER A 28 17.508 44.485 21.170 1.00 20.00 N ATOM 374 CA SER A 28 17.157 45.344 20.037 1.00 20.00 C ATOM 375 C SER A 28 16.267 44.622 19.014 1.00 20.00 C ATOM 376 O SER A 28 15.695 45.276 18.142 1.00 20.00 O ATOM 377 CB SER A 28 18.430 45.853 19.353 1.00 20.00 C ATOM 378 OG SER A 28 19.253 46.569 20.249 1.00 20.00 O ATOM 0 H SER A 28 18.235 43.806 20.947 1.00 20.00 H new ATOM 0 HA SER A 28 16.586 46.185 20.430 1.00 20.00 H new ATOM 0 HB2 SER A 28 18.985 45.009 18.944 1.00 20.00 H new ATOM 0 HB3 SER A 28 18.161 46.495 18.514 1.00 20.00 H new ATOM 0 HG SER A 28 20.056 46.877 19.780 1.00 20.00 H new ATOM 384 N THR A 29 16.132 43.292 19.134 1.00 20.00 N ATOM 385 CA THR A 29 15.308 42.432 18.289 1.00 20.00 C ATOM 386 C THR A 29 14.583 41.399 19.157 1.00 20.00 C ATOM 387 O THR A 29 13.369 41.492 19.332 1.00 20.00 O ATOM 388 CB THR A 29 16.142 41.751 17.178 1.00 20.00 C ATOM 389 OG1 THR A 29 17.367 41.244 17.670 1.00 20.00 O ATOM 390 CG2 THR A 29 16.442 42.697 16.012 1.00 20.00 C ATOM 0 H THR A 29 16.621 42.768 19.860 1.00 20.00 H new ATOM 0 HA THR A 29 14.566 43.051 17.786 1.00 20.00 H new ATOM 0 HB THR A 29 15.526 40.927 16.819 1.00 20.00 H new ATOM 0 HG1 THR A 29 17.990 41.115 16.925 1.00 20.00 H new ATOM 0 HG21 THR A 29 17.029 42.172 15.259 1.00 20.00 H new ATOM 0 HG22 THR A 29 15.506 43.037 15.569 1.00 20.00 H new ATOM 0 HG23 THR A 29 17.005 43.557 16.376 1.00 20.00 H new ATOM 398 N VAL A 30 15.326 40.415 19.681 1.00 20.00 N ATOM 399 CA VAL A 30 14.835 39.297 20.486 1.00 20.00 C ATOM 400 C VAL A 30 16.001 38.736 21.314 1.00 20.00 C ATOM 401 O VAL A 30 17.161 38.842 20.914 1.00 20.00 O ATOM 402 CB VAL A 30 14.190 38.237 19.553 1.00 20.00 C ATOM 403 CG1 VAL A 30 15.180 37.558 18.596 1.00 20.00 C ATOM 404 CG2 VAL A 30 13.412 37.159 20.299 1.00 20.00 C ATOM 0 H VAL A 30 16.336 40.379 19.546 1.00 20.00 H new ATOM 0 HA VAL A 30 14.062 39.620 21.183 1.00 20.00 H new ATOM 0 HB VAL A 30 13.492 38.829 18.961 1.00 20.00 H new ATOM 0 HG11 VAL A 30 14.650 36.832 17.979 1.00 20.00 H new ATOM 0 HG12 VAL A 30 15.641 38.310 17.956 1.00 20.00 H new ATOM 0 HG13 VAL A 30 15.953 37.049 19.173 1.00 20.00 H new ATOM 0 HG21 VAL A 30 12.990 36.454 19.583 1.00 20.00 H new ATOM 0 HG22 VAL A 30 14.082 36.630 20.977 1.00 20.00 H new ATOM 0 HG23 VAL A 30 12.607 37.621 20.871 1.00 20.00 H new ATOM 414 N CYS A 31 15.696 38.122 22.464 1.00 20.00 N ATOM 415 CA CYS A 31 16.666 37.372 23.261 1.00 20.00 C ATOM 416 C CYS A 31 16.993 36.024 22.605 1.00 20.00 C ATOM 417 O CYS A 31 16.172 35.460 21.882 1.00 20.00 O ATOM 418 CB CYS A 31 16.081 37.131 24.653 1.00 20.00 C ATOM 419 SG CYS A 31 16.034 38.567 25.747 1.00 20.00 S ATOM 0 H CYS A 31 14.760 38.134 22.868 1.00 20.00 H new ATOM 0 HA CYS A 31 17.587 37.951 23.330 1.00 20.00 H new ATOM 0 HB2 CYS A 31 15.065 36.752 24.539 1.00 20.00 H new ATOM 0 HB3 CYS A 31 16.661 36.347 25.139 1.00 20.00 H new ATOM 424 N CYS A 32 18.183 35.486 22.907 1.00 20.00 N ATOM 425 CA CYS A 32 18.615 34.179 22.433 1.00 20.00 C ATOM 426 C CYS A 32 19.553 33.522 23.450 1.00 20.00 C ATOM 427 O CYS A 32 20.646 34.029 23.704 1.00 20.00 O ATOM 428 CB CYS A 32 19.285 34.326 21.066 1.00 20.00 C ATOM 429 SG CYS A 32 19.163 32.833 20.054 1.00 20.00 S ATOM 0 H CYS A 32 18.873 35.956 23.493 1.00 20.00 H new ATOM 0 HA CYS A 32 17.747 33.529 22.323 1.00 20.00 H new ATOM 0 HB2 CYS A 32 18.828 35.159 20.531 1.00 20.00 H new ATOM 0 HB3 CYS A 32 20.336 34.577 21.208 1.00 20.00 H new ATOM 434 N ASP A 33 19.107 32.411 24.049 1.00 20.00 N ATOM 435 CA ASP A 33 19.845 31.666 25.063 1.00 20.00 C ATOM 436 C ASP A 33 21.053 30.956 24.448 1.00 20.00 C ATOM 437 O ASP A 33 20.891 29.979 23.720 1.00 20.00 O ATOM 438 CB ASP A 33 18.915 30.663 25.762 1.00 20.00 C ATOM 439 CG ASP A 33 19.481 30.160 27.095 1.00 20.00 C ATOM 440 OD1 ASP A 33 18.670 29.982 28.029 1.00 20.00 O ATOM 441 OD2 ASP A 33 20.710 29.945 27.180 1.00 20.00 O ATOM 0 H ASP A 33 18.199 31.999 23.833 1.00 20.00 H new ATOM 0 HA ASP A 33 20.218 32.369 25.808 1.00 20.00 H new ATOM 0 HB2 ASP A 33 17.947 31.133 25.937 1.00 20.00 H new ATOM 0 HB3 ASP A 33 18.742 29.813 25.102 1.00 20.00 H new ATOM 446 N LEU A 34 22.262 31.444 24.749 1.00 20.00 N ATOM 447 CA LEU A 34 23.508 30.917 24.203 1.00 20.00 C ATOM 448 C LEU A 34 23.933 29.586 24.846 1.00 20.00 C ATOM 449 O LEU A 34 24.620 28.800 24.195 1.00 20.00 O ATOM 450 CB LEU A 34 24.630 31.959 24.376 1.00 20.00 C ATOM 451 CG LEU A 34 24.327 33.379 23.841 1.00 20.00 C ATOM 452 CD1 LEU A 34 25.556 34.270 24.068 1.00 20.00 C ATOM 453 CD2 LEU A 34 23.947 33.389 22.351 1.00 20.00 C ATOM 0 H LEU A 34 22.399 32.227 25.388 1.00 20.00 H new ATOM 0 HA LEU A 34 23.332 30.716 23.146 1.00 20.00 H new ATOM 0 HB2 LEU A 34 24.867 32.035 25.437 1.00 20.00 H new ATOM 0 HB3 LEU A 34 25.524 31.587 23.876 1.00 20.00 H new ATOM 0 HG LEU A 34 23.464 33.760 24.388 1.00 20.00 H new ATOM 0 HD11 LEU A 34 25.352 35.273 23.694 1.00 20.00 H new ATOM 0 HD12 LEU A 34 25.778 34.318 25.134 1.00 20.00 H new ATOM 0 HD13 LEU A 34 26.411 33.852 23.537 1.00 20.00 H new ATOM 0 HD21 LEU A 34 23.746 34.412 22.034 1.00 20.00 H new ATOM 0 HD22 LEU A 34 24.769 32.982 21.763 1.00 20.00 H new ATOM 0 HD23 LEU A 34 23.056 32.780 22.199 1.00 20.00 H new ATOM 465 N SER A 35 23.543 29.324 26.105 1.00 20.00 N ATOM 466 CA SER A 35 24.000 28.166 26.881 1.00 20.00 C ATOM 467 C SER A 35 23.377 26.830 26.441 1.00 20.00 C ATOM 468 O SER A 35 23.860 25.775 26.852 1.00 20.00 O ATOM 469 CB SER A 35 23.760 28.400 28.378 1.00 20.00 C ATOM 470 OG SER A 35 22.386 28.377 28.704 1.00 20.00 O ATOM 0 H SER A 35 22.893 29.921 26.616 1.00 20.00 H new ATOM 0 HA SER A 35 25.068 28.076 26.684 1.00 20.00 H new ATOM 0 HB2 SER A 35 24.282 27.635 28.953 1.00 20.00 H new ATOM 0 HB3 SER A 35 24.185 29.361 28.667 1.00 20.00 H new ATOM 0 HG SER A 35 21.903 29.007 28.129 1.00 20.00 H new ATOM 476 N LYS A 36 22.336 26.876 25.598 1.00 20.00 N ATOM 477 CA LYS A 36 21.594 25.738 25.047 1.00 20.00 C ATOM 478 C LYS A 36 21.563 25.781 23.507 1.00 20.00 C ATOM 479 O LYS A 36 20.709 25.149 22.885 1.00 20.00 O ATOM 480 CB LYS A 36 20.195 25.668 25.694 1.00 20.00 C ATOM 481 CG LYS A 36 19.353 26.941 25.500 1.00 20.00 C ATOM 482 CD LYS A 36 18.012 26.889 26.248 1.00 20.00 C ATOM 483 CE LYS A 36 17.031 25.907 25.608 1.00 20.00 C ATOM 484 NZ LYS A 36 15.778 25.804 26.377 1.00 20.00 N ATOM 0 H LYS A 36 21.968 27.766 25.263 1.00 20.00 H new ATOM 0 HA LYS A 36 22.108 24.810 25.297 1.00 20.00 H new ATOM 0 HB2 LYS A 36 19.654 24.819 25.275 1.00 20.00 H new ATOM 0 HB3 LYS A 36 20.308 25.479 26.761 1.00 20.00 H new ATOM 0 HG2 LYS A 36 19.923 27.804 25.845 1.00 20.00 H new ATOM 0 HG3 LYS A 36 19.165 27.088 24.436 1.00 20.00 H new ATOM 0 HD2 LYS A 36 18.187 26.601 27.285 1.00 20.00 H new ATOM 0 HD3 LYS A 36 17.568 27.884 26.264 1.00 20.00 H new ATOM 0 HE2 LYS A 36 16.807 26.228 24.591 1.00 20.00 H new ATOM 0 HE3 LYS A 36 17.496 24.924 25.537 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 15.139 25.129 25.911 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 15.988 25.473 27.340 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 15.321 26.737 26.423 1.00 20.00 H new ATOM 498 N LEU A 37 22.504 26.521 22.902 1.00 20.00 N ATOM 499 CA LEU A 37 22.641 26.755 21.466 1.00 20.00 C ATOM 500 C LEU A 37 24.080 26.431 21.031 1.00 20.00 C ATOM 501 O LEU A 37 24.276 25.728 20.042 1.00 20.00 O ATOM 502 CB LEU A 37 22.242 28.220 21.198 1.00 20.00 C ATOM 503 CG LEU A 37 21.690 28.556 19.802 1.00 20.00 C ATOM 504 CD1 LEU A 37 21.312 30.043 19.783 1.00 20.00 C ATOM 505 CD2 LEU A 37 22.660 28.271 18.652 1.00 20.00 C ATOM 0 H LEU A 37 23.229 26.998 23.438 1.00 20.00 H new ATOM 0 HA LEU A 37 21.990 26.108 20.879 1.00 20.00 H new ATOM 0 HB2 LEU A 37 21.492 28.506 21.935 1.00 20.00 H new ATOM 0 HB3 LEU A 37 23.117 28.846 21.375 1.00 20.00 H new ATOM 0 HG LEU A 37 20.831 27.906 19.636 1.00 20.00 H new ATOM 0 HD11 LEU A 37 20.917 30.306 18.801 1.00 20.00 H new ATOM 0 HD12 LEU A 37 20.554 30.235 20.542 1.00 20.00 H new ATOM 0 HD13 LEU A 37 22.196 30.646 19.992 1.00 20.00 H new ATOM 0 HD21 LEU A 37 22.190 28.537 17.705 1.00 20.00 H new ATOM 0 HD22 LEU A 37 23.566 28.862 18.786 1.00 20.00 H new ATOM 0 HD23 LEU A 37 22.915 27.211 18.646 1.00 20.00 H new ATOM 517 N THR A 38 25.072 26.898 21.805 1.00 20.00 N ATOM 518 CA THR A 38 26.504 26.665 21.617 1.00 20.00 C ATOM 519 C THR A 38 27.133 26.057 22.883 1.00 20.00 C ATOM 520 O THR A 38 26.486 25.957 23.928 1.00 20.00 O ATOM 521 CB THR A 38 27.203 27.977 21.204 1.00 20.00 C ATOM 522 OG1 THR A 38 26.939 29.009 22.131 1.00 20.00 O ATOM 523 CG2 THR A 38 26.783 28.450 19.808 1.00 20.00 C ATOM 0 H THR A 38 24.882 27.479 22.621 1.00 20.00 H new ATOM 0 HA THR A 38 26.642 25.942 20.813 1.00 20.00 H new ATOM 0 HB THR A 38 28.270 27.756 21.188 1.00 20.00 H new ATOM 0 HG1 THR A 38 27.395 29.829 21.847 1.00 20.00 H new ATOM 0 HG21 THR A 38 27.303 29.377 19.566 1.00 20.00 H new ATOM 0 HG22 THR A 38 27.039 27.687 19.073 1.00 20.00 H new ATOM 0 HG23 THR A 38 25.707 28.623 19.791 1.00 20.00 H new ATOM 531 N GLY A 39 28.401 25.635 22.771 1.00 20.00 N ATOM 532 CA GLY A 39 29.169 24.979 23.823 1.00 20.00 C ATOM 533 C GLY A 39 30.657 25.277 23.655 1.00 20.00 C ATOM 534 O GLY A 39 31.087 26.383 23.982 1.00 20.00 O ATOM 0 H GLY A 39 28.934 25.749 21.909 1.00 20.00 H new ATOM 0 HA2 GLY A 39 28.830 25.324 24.800 1.00 20.00 H new ATOM 0 HA3 GLY A 39 29.000 23.903 23.789 1.00 20.00 H new ATOM 538 N CYS A 40 31.435 24.311 23.140 1.00 20.00 N ATOM 539 CA CYS A 40 32.851 24.499 22.852 1.00 20.00 C ATOM 540 C CYS A 40 33.042 25.076 21.447 1.00 20.00 C ATOM 541 O CYS A 40 33.526 26.197 21.312 1.00 20.00 O ATOM 542 CB CYS A 40 33.629 23.192 23.033 1.00 20.00 C ATOM 543 SG CYS A 40 35.431 23.411 23.018 1.00 20.00 S ATOM 0 H CYS A 40 31.091 23.378 22.914 1.00 20.00 H new ATOM 0 HA CYS A 40 33.253 25.217 23.566 1.00 20.00 H new ATOM 0 HB2 CYS A 40 33.335 22.732 23.976 1.00 20.00 H new ATOM 0 HB3 CYS A 40 33.349 22.499 22.239 1.00 20.00 H new ATOM 548 N LYS A 41 32.667 24.308 20.413 1.00 20.00 N ATOM 549 CA LYS A 41 32.943 24.626 19.014 1.00 20.00 C ATOM 550 C LYS A 41 31.764 24.323 18.066 1.00 20.00 C ATOM 551 O LYS A 41 31.592 25.051 17.087 1.00 20.00 O ATOM 552 CB LYS A 41 34.212 23.865 18.608 1.00 20.00 C ATOM 553 CG LYS A 41 34.726 24.319 17.239 1.00 20.00 C ATOM 554 CD LYS A 41 36.055 23.646 16.864 1.00 20.00 C ATOM 555 CE LYS A 41 36.669 24.227 15.582 1.00 20.00 C ATOM 556 NZ LYS A 41 35.811 23.996 14.391 1.00 20.00 N ATOM 0 H LYS A 41 32.155 23.434 20.533 1.00 20.00 H new ATOM 0 HA LYS A 41 33.092 25.702 18.921 1.00 20.00 H new ATOM 0 HB2 LYS A 41 34.987 24.021 19.359 1.00 20.00 H new ATOM 0 HB3 LYS A 41 34.004 22.795 18.583 1.00 20.00 H new ATOM 0 HG2 LYS A 41 33.979 24.091 16.479 1.00 20.00 H new ATOM 0 HG3 LYS A 41 34.857 25.401 17.243 1.00 20.00 H new ATOM 0 HD2 LYS A 41 36.762 23.762 17.686 1.00 20.00 H new ATOM 0 HD3 LYS A 41 35.892 22.576 16.732 1.00 20.00 H new ATOM 0 HE2 LYS A 41 36.828 25.298 15.711 1.00 20.00 H new ATOM 0 HE3 LYS A 41 37.648 23.778 15.415 1.00 20.00 H new ATOM 0 HZ1 LYS A 41 36.266 24.405 13.550 1.00 20.00 H new ATOM 0 HZ2 LYS A 41 35.680 22.974 14.251 1.00 20.00 H new ATOM 0 HZ3 LYS A 41 34.885 24.447 14.537 1.00 20.00 H new ATOM 570 N GLY A 42 30.951 23.289 18.336 1.00 20.00 N ATOM 571 CA GLY A 42 29.818 22.929 17.489 1.00 20.00 C ATOM 572 C GLY A 42 29.073 21.701 18.000 1.00 20.00 C ATOM 573 O GLY A 42 27.921 21.807 18.419 1.00 20.00 O ATOM 0 H GLY A 42 31.066 22.684 19.149 1.00 20.00 H new ATOM 0 HA2 GLY A 42 29.128 23.771 17.433 1.00 20.00 H new ATOM 0 HA3 GLY A 42 30.172 22.739 16.476 1.00 20.00 H new ATOM 577 N LYS A 43 29.729 20.535 17.945 1.00 20.00 N ATOM 578 CA LYS A 43 29.174 19.254 18.390 1.00 20.00 C ATOM 579 C LYS A 43 28.991 19.181 19.913 1.00 20.00 C ATOM 580 O LYS A 43 28.116 18.453 20.382 1.00 20.00 O ATOM 581 CB LYS A 43 30.068 18.092 17.909 1.00 20.00 C ATOM 582 CG LYS A 43 29.522 17.409 16.650 1.00 20.00 C ATOM 583 CD LYS A 43 28.286 16.542 16.955 1.00 20.00 C ATOM 584 CE LYS A 43 27.682 15.922 15.692 1.00 20.00 C ATOM 585 NZ LYS A 43 28.557 14.898 15.097 1.00 20.00 N ATOM 0 H LYS A 43 30.679 20.456 17.582 1.00 20.00 H new ATOM 0 HA LYS A 43 28.183 19.167 17.945 1.00 20.00 H new ATOM 0 HB2 LYS A 43 31.070 18.469 17.707 1.00 20.00 H new ATOM 0 HB3 LYS A 43 30.160 17.355 18.707 1.00 20.00 H new ATOM 0 HG2 LYS A 43 29.260 18.166 15.911 1.00 20.00 H new ATOM 0 HG3 LYS A 43 30.301 16.788 16.208 1.00 20.00 H new ATOM 0 HD2 LYS A 43 28.564 15.749 17.649 1.00 20.00 H new ATOM 0 HD3 LYS A 43 27.532 17.151 17.454 1.00 20.00 H new ATOM 0 HE2 LYS A 43 26.718 15.476 15.935 1.00 20.00 H new ATOM 0 HE3 LYS A 43 27.495 16.707 14.959 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 28.105 14.508 14.245 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 29.469 15.327 14.840 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 28.716 14.135 15.785 1.00 20.00 H new ATOM 599 N GLY A 44 29.788 19.946 20.669 1.00 20.00 N ATOM 600 CA GLY A 44 29.735 20.037 22.122 1.00 20.00 C ATOM 601 C GLY A 44 31.136 20.113 22.720 1.00 20.00 C ATOM 602 O GLY A 44 31.372 20.915 23.621 1.00 20.00 O ATOM 0 H GLY A 44 30.513 20.539 20.264 1.00 20.00 H new ATOM 0 HA2 GLY A 44 29.164 20.918 22.413 1.00 20.00 H new ATOM 0 HA3 GLY A 44 29.211 19.170 22.525 1.00 20.00 H new ATOM 606 N GLY A 45 32.054 19.287 22.205 1.00 20.00 N ATOM 607 CA GLY A 45 33.412 19.120 22.699 1.00 20.00 C ATOM 608 C GLY A 45 33.502 18.085 23.826 1.00 20.00 C ATOM 609 O GLY A 45 32.495 17.673 24.403 1.00 20.00 O ATOM 0 H GLY A 45 31.855 18.695 21.399 1.00 20.00 H new ATOM 0 HA2 GLY A 45 34.060 18.815 21.877 1.00 20.00 H new ATOM 0 HA3 GLY A 45 33.785 20.079 23.060 1.00 20.00 H new ATOM 613 N GLU A 46 34.737 17.691 24.150 1.00 20.00 N ATOM 614 CA GLU A 46 35.096 16.716 25.173 1.00 20.00 C ATOM 615 C GLU A 46 36.374 17.140 25.905 1.00 20.00 C ATOM 616 O GLU A 46 37.200 17.869 25.357 1.00 20.00 O ATOM 617 CB GLU A 46 35.272 15.337 24.516 1.00 20.00 C ATOM 618 CG GLU A 46 36.459 15.252 23.537 1.00 20.00 C ATOM 619 CD GLU A 46 36.555 13.880 22.865 1.00 20.00 C ATOM 620 OE1 GLU A 46 36.444 13.837 21.619 1.00 20.00 O ATOM 621 OE2 GLU A 46 36.730 12.879 23.594 1.00 20.00 O ATOM 0 H GLU A 46 35.557 18.068 23.675 1.00 20.00 H new ATOM 0 HA GLU A 46 34.298 16.661 25.913 1.00 20.00 H new ATOM 0 HB2 GLU A 46 35.405 14.589 25.297 1.00 20.00 H new ATOM 0 HB3 GLU A 46 34.356 15.081 23.983 1.00 20.00 H new ATOM 0 HG2 GLU A 46 36.354 16.023 22.773 1.00 20.00 H new ATOM 0 HG3 GLU A 46 37.386 15.458 24.073 1.00 20.00 H new ATOM 628 N CYS A 47 36.560 16.619 27.122 1.00 20.00 N ATOM 629 CA CYS A 47 37.771 16.798 27.912 1.00 20.00 C ATOM 630 C CYS A 47 38.836 15.789 27.450 1.00 20.00 C ATOM 631 O CYS A 47 38.703 14.585 27.675 1.00 20.00 O ATOM 632 CB CYS A 47 37.450 16.657 29.406 1.00 20.00 C ATOM 633 SG CYS A 47 36.404 17.949 30.143 1.00 20.00 S ATOM 0 H CYS A 47 35.855 16.050 27.591 1.00 20.00 H new ATOM 0 HA CYS A 47 38.172 17.800 27.761 1.00 20.00 H new ATOM 0 HB2 CYS A 47 36.961 15.695 29.559 1.00 20.00 H new ATOM 0 HB3 CYS A 47 38.391 16.627 29.955 1.00 20.00 H new ATOM 638 N ASN A 48 39.883 16.300 26.785 1.00 20.00 N ATOM 639 CA ASN A 48 41.026 15.568 26.234 1.00 20.00 C ATOM 640 C ASN A 48 42.340 16.189 26.738 1.00 20.00 C ATOM 641 O ASN A 48 42.364 17.371 27.070 1.00 20.00 O ATOM 642 CB ASN A 48 40.968 15.635 24.695 1.00 20.00 C ATOM 643 CG ASN A 48 40.136 14.557 24.002 1.00 20.00 C ATOM 644 OD1 ASN A 48 40.217 14.429 22.783 1.00 20.00 O ATOM 645 ND2 ASN A 48 39.336 13.781 24.731 1.00 20.00 N ATOM 0 H ASN A 48 39.955 17.302 26.608 1.00 20.00 H new ATOM 0 HA ASN A 48 40.986 14.528 26.558 1.00 20.00 H new ATOM 0 HB2 ASN A 48 40.572 16.609 24.410 1.00 20.00 H new ATOM 0 HB3 ASN A 48 41.987 15.580 24.311 1.00 20.00 H new ATOM 0 HD21 ASN A 48 38.773 13.061 24.278 1.00 20.00 H new ATOM 0 HD22 ASN A 48 39.286 13.907 25.742 1.00 20.00 H new ATOM 652 N PRO A 49 43.444 15.420 26.789 1.00 20.00 N ATOM 653 CA PRO A 49 44.685 15.813 27.460 1.00 20.00 C ATOM 654 C PRO A 49 45.392 17.004 26.790 1.00 20.00 C ATOM 655 O PRO A 49 45.126 17.322 25.631 1.00 20.00 O ATOM 656 CB PRO A 49 45.557 14.547 27.443 1.00 20.00 C ATOM 657 CG PRO A 49 45.043 13.762 26.240 1.00 20.00 C ATOM 658 CD PRO A 49 43.552 14.072 26.256 1.00 20.00 C ATOM 0 HA PRO A 49 44.485 16.168 28.471 1.00 20.00 H new ATOM 0 HB2 PRO A 49 46.614 14.792 27.338 1.00 20.00 H new ATOM 0 HB3 PRO A 49 45.452 13.977 28.366 1.00 20.00 H new ATOM 0 HG2 PRO A 49 45.515 14.086 25.312 1.00 20.00 H new ATOM 0 HG3 PRO A 49 45.236 12.694 26.340 1.00 20.00 H new ATOM 0 HD2 PRO A 49 43.127 14.010 25.254 1.00 20.00 H new ATOM 0 HD3 PRO A 49 43.009 13.359 26.877 1.00 20.00 H new ATOM 666 N LEU A 50 46.347 17.620 27.509 1.00 20.00 N ATOM 667 CA LEU A 50 47.275 18.607 26.946 1.00 20.00 C ATOM 668 C LEU A 50 48.119 18.006 25.808 1.00 20.00 C ATOM 669 O LEU A 50 48.506 18.726 24.888 1.00 20.00 O ATOM 670 CB LEU A 50 48.222 19.139 28.038 1.00 20.00 C ATOM 671 CG LEU A 50 47.622 20.163 29.023 1.00 20.00 C ATOM 672 CD1 LEU A 50 48.655 20.458 30.120 1.00 20.00 C ATOM 673 CD2 LEU A 50 47.278 21.484 28.325 1.00 20.00 C ATOM 0 H LEU A 50 46.494 17.443 28.503 1.00 20.00 H new ATOM 0 HA LEU A 50 46.673 19.422 26.545 1.00 20.00 H new ATOM 0 HB2 LEU A 50 48.594 18.290 28.611 1.00 20.00 H new ATOM 0 HB3 LEU A 50 49.083 19.597 27.551 1.00 20.00 H new ATOM 0 HG LEU A 50 46.708 19.738 29.437 1.00 20.00 H new ATOM 0 HD11 LEU A 50 48.242 21.181 30.823 1.00 20.00 H new ATOM 0 HD12 LEU A 50 48.898 19.536 30.648 1.00 20.00 H new ATOM 0 HD13 LEU A 50 49.559 20.866 29.668 1.00 20.00 H new ATOM 0 HD21 LEU A 50 46.858 22.180 29.051 1.00 20.00 H new ATOM 0 HD22 LEU A 50 48.182 21.913 27.892 1.00 20.00 H new ATOM 0 HD23 LEU A 50 46.550 21.299 27.535 1.00 20.00 H new ATOM 685 N ASP A 51 48.375 16.691 25.856 1.00 20.00 N ATOM 686 CA ASP A 51 49.127 15.931 24.858 1.00 20.00 C ATOM 687 C ASP A 51 48.409 15.862 23.498 1.00 20.00 C ATOM 688 O ASP A 51 49.063 15.580 22.493 1.00 20.00 O ATOM 689 CB ASP A 51 49.374 14.506 25.382 1.00 20.00 C ATOM 690 CG ASP A 51 50.438 14.401 26.483 1.00 20.00 C ATOM 691 OD1 ASP A 51 51.123 13.354 26.496 1.00 20.00 O ATOM 692 OD2 ASP A 51 50.557 15.334 27.309 1.00 20.00 O ATOM 0 H ASP A 51 48.048 16.107 26.626 1.00 20.00 H new ATOM 0 HA ASP A 51 50.071 16.451 24.697 1.00 20.00 H new ATOM 0 HB2 ASP A 51 48.435 14.107 25.765 1.00 20.00 H new ATOM 0 HB3 ASP A 51 49.672 13.873 24.546 1.00 20.00 H new ATOM 697 N ARG A 52 47.091 16.129 23.451 1.00 20.00 N ATOM 698 CA ARG A 52 46.274 16.073 22.238 1.00 20.00 C ATOM 699 C ARG A 52 46.676 17.147 21.213 1.00 20.00 C ATOM 700 O ARG A 52 46.565 16.900 20.012 1.00 20.00 O ATOM 701 CB ARG A 52 44.790 16.199 22.636 1.00 20.00 C ATOM 702 CG ARG A 52 43.782 15.910 21.513 1.00 20.00 C ATOM 703 CD ARG A 52 43.851 14.469 20.994 1.00 20.00 C ATOM 704 NE ARG A 52 42.731 14.178 20.082 1.00 20.00 N ATOM 705 CZ ARG A 52 42.448 12.975 19.558 1.00 20.00 C ATOM 706 NH1 ARG A 52 43.224 11.913 19.783 1.00 20.00 N ATOM 707 NH2 ARG A 52 41.367 12.829 18.793 1.00 20.00 N ATOM 0 H ARG A 52 46.557 16.395 24.279 1.00 20.00 H new ATOM 0 HA ARG A 52 46.441 15.115 21.746 1.00 20.00 H new ATOM 0 HB2 ARG A 52 44.593 15.516 23.463 1.00 20.00 H new ATOM 0 HB3 ARG A 52 44.615 17.209 23.008 1.00 20.00 H new ATOM 0 HG2 ARG A 52 42.775 16.110 21.878 1.00 20.00 H new ATOM 0 HG3 ARG A 52 43.963 16.596 20.686 1.00 20.00 H new ATOM 0 HD2 ARG A 52 44.797 14.311 20.475 1.00 20.00 H new ATOM 0 HD3 ARG A 52 43.829 13.775 21.834 1.00 20.00 H new ATOM 0 HE ARG A 52 42.120 14.955 19.828 1.00 20.00 H new ATOM 0 HH11 ARG A 52 44.056 12.004 20.366 1.00 20.00 H new ATOM 0 HH12 ARG A 52 42.985 11.011 19.372 1.00 20.00 H new ATOM 0 HH21 ARG A 52 40.761 13.628 18.609 1.00 20.00 H new ATOM 0 HH22 ARG A 52 41.146 11.918 18.391 1.00 20.00 H new ATOM 721 N GLN A 53 47.174 18.303 21.686 1.00 20.00 N ATOM 722 CA GLN A 53 47.742 19.418 20.915 1.00 20.00 C ATOM 723 C GLN A 53 46.768 20.124 19.945 1.00 20.00 C ATOM 724 O GLN A 53 47.162 21.080 19.278 1.00 20.00 O ATOM 725 CB GLN A 53 49.052 18.963 20.236 1.00 20.00 C ATOM 726 CG GLN A 53 50.233 19.926 20.440 1.00 20.00 C ATOM 727 CD GLN A 53 50.154 21.210 19.611 1.00 20.00 C ATOM 728 OE1 GLN A 53 50.308 21.176 18.392 1.00 20.00 O ATOM 729 NE2 GLN A 53 49.941 22.354 20.261 1.00 20.00 N ATOM 0 H GLN A 53 47.190 18.494 22.688 1.00 20.00 H new ATOM 0 HA GLN A 53 47.965 20.207 21.633 1.00 20.00 H new ATOM 0 HB2 GLN A 53 49.327 17.981 20.622 1.00 20.00 H new ATOM 0 HB3 GLN A 53 48.873 18.846 19.167 1.00 20.00 H new ATOM 0 HG2 GLN A 53 50.290 20.193 21.495 1.00 20.00 H new ATOM 0 HG3 GLN A 53 51.158 19.405 20.192 1.00 20.00 H new ATOM 0 HE21 GLN A 53 49.817 22.350 21.273 1.00 20.00 H new ATOM 0 HE22 GLN A 53 49.902 23.234 19.746 1.00 20.00 H new ATOM 738 N CYS A 54 45.496 19.699 19.889 1.00 20.00 N ATOM 739 CA CYS A 54 44.426 20.365 19.150 1.00 20.00 C ATOM 740 C CYS A 54 44.107 21.750 19.737 1.00 20.00 C ATOM 741 O CYS A 54 44.521 22.081 20.851 1.00 20.00 O ATOM 742 CB CYS A 54 43.178 19.472 19.168 1.00 20.00 C ATOM 743 SG CYS A 54 42.459 19.225 20.814 1.00 20.00 S ATOM 0 H CYS A 54 45.180 18.858 20.372 1.00 20.00 H new ATOM 0 HA CYS A 54 44.755 20.522 18.123 1.00 20.00 H new ATOM 0 HB2 CYS A 54 42.422 19.911 18.517 1.00 20.00 H new ATOM 0 HB3 CYS A 54 43.435 18.500 18.747 1.00 20.00 H new ATOM 748 N LYS A 55 43.328 22.540 18.987 1.00 20.00 N ATOM 749 CA LYS A 55 42.823 23.842 19.415 1.00 20.00 C ATOM 750 C LYS A 55 41.891 23.673 20.620 1.00 20.00 C ATOM 751 O LYS A 55 41.000 22.823 20.605 1.00 20.00 O ATOM 752 CB LYS A 55 42.093 24.509 18.239 1.00 20.00 C ATOM 753 CG LYS A 55 41.664 25.952 18.547 1.00 20.00 C ATOM 754 CD LYS A 55 40.832 26.569 17.413 1.00 20.00 C ATOM 755 CE LYS A 55 41.604 26.754 16.101 1.00 20.00 C ATOM 756 NZ LYS A 55 42.687 27.741 16.226 1.00 20.00 N ATOM 0 H LYS A 55 43.027 22.282 18.047 1.00 20.00 H new ATOM 0 HA LYS A 55 43.652 24.480 19.721 1.00 20.00 H new ATOM 0 HB2 LYS A 55 42.744 24.507 17.365 1.00 20.00 H new ATOM 0 HB3 LYS A 55 41.213 23.920 17.982 1.00 20.00 H new ATOM 0 HG2 LYS A 55 41.084 25.967 19.470 1.00 20.00 H new ATOM 0 HG3 LYS A 55 42.550 26.563 18.718 1.00 20.00 H new ATOM 0 HD2 LYS A 55 39.965 25.935 17.226 1.00 20.00 H new ATOM 0 HD3 LYS A 55 40.454 27.538 17.740 1.00 20.00 H new ATOM 0 HE2 LYS A 55 42.022 25.797 15.790 1.00 20.00 H new ATOM 0 HE3 LYS A 55 40.915 27.071 15.318 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 43.136 27.882 15.299 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 42.296 28.644 16.563 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 43.395 27.395 16.905 1.00 20.00 H new ATOM 770 N GLU A 56 42.079 24.519 21.639 1.00 20.00 N ATOM 771 CA GLU A 56 41.244 24.575 22.835 1.00 20.00 C ATOM 772 C GLU A 56 40.823 26.010 23.179 1.00 20.00 C ATOM 773 O GLU A 56 41.306 26.980 22.593 1.00 20.00 O ATOM 774 CB GLU A 56 41.934 23.871 24.015 1.00 20.00 C ATOM 775 CG GLU A 56 43.159 24.598 24.579 1.00 20.00 C ATOM 776 CD GLU A 56 44.453 24.242 23.850 1.00 20.00 C ATOM 777 OE1 GLU A 56 44.864 25.036 22.975 1.00 20.00 O ATOM 778 OE2 GLU A 56 45.042 23.196 24.201 1.00 20.00 O ATOM 0 H GLU A 56 42.838 25.200 21.651 1.00 20.00 H new ATOM 0 HA GLU A 56 40.322 24.033 22.622 1.00 20.00 H new ATOM 0 HB2 GLU A 56 41.207 23.742 24.816 1.00 20.00 H new ATOM 0 HB3 GLU A 56 42.237 22.874 23.696 1.00 20.00 H new ATOM 0 HG2 GLU A 56 42.997 25.674 24.515 1.00 20.00 H new ATOM 0 HG3 GLU A 56 43.265 24.353 25.636 1.00 20.00 H new ATOM 785 N LEU A 57 39.931 26.121 24.170 1.00 20.00 N ATOM 786 CA LEU A 57 39.471 27.347 24.798 1.00 20.00 C ATOM 787 C LEU A 57 39.536 27.239 26.325 1.00 20.00 C ATOM 788 O LEU A 57 39.618 26.141 26.871 1.00 20.00 O ATOM 789 CB LEU A 57 38.070 27.682 24.275 1.00 20.00 C ATOM 790 CG LEU A 57 37.019 26.557 24.159 1.00 20.00 C ATOM 791 CD1 LEU A 57 36.783 25.784 25.463 1.00 20.00 C ATOM 792 CD2 LEU A 57 35.715 27.204 23.680 1.00 20.00 C ATOM 0 H LEU A 57 39.487 25.297 24.575 1.00 20.00 H new ATOM 0 HA LEU A 57 40.130 28.174 24.533 1.00 20.00 H new ATOM 0 HB2 LEU A 57 37.654 28.454 24.923 1.00 20.00 H new ATOM 0 HB3 LEU A 57 38.187 28.125 23.286 1.00 20.00 H new ATOM 0 HG LEU A 57 37.392 25.813 23.455 1.00 20.00 H new ATOM 0 HD11 LEU A 57 36.032 25.012 25.297 1.00 20.00 H new ATOM 0 HD12 LEU A 57 37.715 25.320 25.785 1.00 20.00 H new ATOM 0 HD13 LEU A 57 36.434 26.470 26.235 1.00 20.00 H new ATOM 0 HD21 LEU A 57 34.943 26.440 23.585 1.00 20.00 H new ATOM 0 HD22 LEU A 57 35.395 27.955 24.402 1.00 20.00 H new ATOM 0 HD23 LEU A 57 35.878 27.678 22.712 1.00 20.00 H new ATOM 804 N GLN A 58 39.490 28.395 26.999 1.00 20.00 N ATOM 805 CA GLN A 58 39.479 28.533 28.460 1.00 20.00 C ATOM 806 C GLN A 58 38.067 28.489 29.065 1.00 20.00 C ATOM 807 O GLN A 58 37.924 28.541 30.287 1.00 20.00 O ATOM 808 CB GLN A 58 40.236 29.813 28.840 1.00 20.00 C ATOM 809 CG GLN A 58 39.538 31.126 28.432 1.00 20.00 C ATOM 810 CD GLN A 58 40.520 32.296 28.327 1.00 20.00 C ATOM 811 OE1 GLN A 58 41.498 32.377 29.068 1.00 20.00 O ATOM 812 NE2 GLN A 58 40.275 33.207 27.387 1.00 20.00 N ATOM 0 H GLN A 58 39.458 29.296 26.522 1.00 20.00 H new ATOM 0 HA GLN A 58 39.987 27.670 28.890 1.00 20.00 H new ATOM 0 HB2 GLN A 58 40.389 29.820 29.919 1.00 20.00 H new ATOM 0 HB3 GLN A 58 41.223 29.785 28.378 1.00 20.00 H new ATOM 0 HG2 GLN A 58 39.038 30.987 27.474 1.00 20.00 H new ATOM 0 HG3 GLN A 58 38.766 31.367 29.162 1.00 20.00 H new ATOM 0 HE21 GLN A 58 39.455 33.113 26.787 1.00 20.00 H new ATOM 0 HE22 GLN A 58 40.907 33.999 27.267 1.00 20.00 H new ATOM 821 N ALA A 59 37.032 28.382 28.220 1.00 20.00 N ATOM 822 CA ALA A 59 35.632 28.314 28.605 1.00 20.00 C ATOM 823 C ALA A 59 35.335 27.001 29.351 1.00 20.00 C ATOM 824 O ALA A 59 35.103 27.035 30.559 1.00 20.00 O ATOM 825 CB ALA A 59 34.764 28.511 27.355 1.00 20.00 C ATOM 0 H ALA A 59 37.163 28.339 27.209 1.00 20.00 H new ATOM 0 HA ALA A 59 35.391 29.113 29.306 1.00 20.00 H new ATOM 0 HB1 ALA A 59 33.711 28.462 27.632 1.00 20.00 H new ATOM 0 HB2 ALA A 59 34.978 29.484 26.913 1.00 20.00 H new ATOM 0 HB3 ALA A 59 34.986 27.727 26.631 1.00 20.00 H new ATOM 831 N GLU A 60 35.355 25.856 28.647 1.00 20.00 N ATOM 832 CA GLU A 60 35.021 24.542 29.208 1.00 20.00 C ATOM 833 C GLU A 60 36.196 23.866 29.922 1.00 20.00 C ATOM 834 O GLU A 60 35.971 23.062 30.827 1.00 20.00 O ATOM 835 CB GLU A 60 34.523 23.591 28.111 1.00 20.00 C ATOM 836 CG GLU A 60 33.314 24.144 27.344 1.00 20.00 C ATOM 837 CD GLU A 60 32.488 23.049 26.660 1.00 20.00 C ATOM 838 OE1 GLU A 60 33.072 22.003 26.296 1.00 20.00 O ATOM 839 OE2 GLU A 60 31.262 23.260 26.532 1.00 20.00 O ATOM 0 H GLU A 60 35.607 25.820 27.659 1.00 20.00 H new ATOM 0 HA GLU A 60 34.240 24.735 29.944 1.00 20.00 H new ATOM 0 HB2 GLU A 60 35.334 23.397 27.409 1.00 20.00 H new ATOM 0 HB3 GLU A 60 34.255 22.635 28.560 1.00 20.00 H new ATOM 0 HG2 GLU A 60 32.675 24.697 28.033 1.00 20.00 H new ATOM 0 HG3 GLU A 60 33.661 24.853 26.592 1.00 20.00 H new ATOM 846 N SER A 61 37.437 24.181 29.523 1.00 20.00 N ATOM 847 CA SER A 61 38.640 23.576 30.104 1.00 20.00 C ATOM 848 C SER A 61 38.862 23.950 31.574 1.00 20.00 C ATOM 849 O SER A 61 39.539 23.216 32.296 1.00 20.00 O ATOM 850 CB SER A 61 39.880 23.952 29.297 1.00 20.00 C ATOM 851 OG SER A 61 40.251 25.296 29.496 1.00 20.00 O ATOM 0 H SER A 61 37.633 24.862 28.789 1.00 20.00 H new ATOM 0 HA SER A 61 38.477 22.499 30.063 1.00 20.00 H new ATOM 0 HB2 SER A 61 40.708 23.302 29.580 1.00 20.00 H new ATOM 0 HB3 SER A 61 39.689 23.782 28.238 1.00 20.00 H new ATOM 0 HG SER A 61 40.245 25.768 28.637 1.00 20.00 H new ATOM 857 N ALA A 62 38.269 25.068 32.014 1.00 20.00 N ATOM 858 CA ALA A 62 38.248 25.512 33.401 1.00 20.00 C ATOM 859 C ALA A 62 37.462 24.555 34.320 1.00 20.00 C ATOM 860 O ALA A 62 37.589 24.665 35.539 1.00 20.00 O ATOM 861 CB ALA A 62 37.685 26.935 33.428 1.00 20.00 C ATOM 0 H ALA A 62 37.776 25.705 31.388 1.00 20.00 H new ATOM 0 HA ALA A 62 39.263 25.507 33.799 1.00 20.00 H new ATOM 0 HB1 ALA A 62 37.657 27.296 34.456 1.00 20.00 H new ATOM 0 HB2 ALA A 62 38.321 27.589 32.831 1.00 20.00 H new ATOM 0 HB3 ALA A 62 36.676 26.935 33.016 1.00 20.00 H new ATOM 867 N SER A 63 36.718 23.590 33.748 1.00 20.00 N ATOM 868 CA SER A 63 36.057 22.491 34.447 1.00 20.00 C ATOM 869 C SER A 63 36.756 21.142 34.202 1.00 20.00 C ATOM 870 O SER A 63 36.760 20.311 35.111 1.00 20.00 O ATOM 871 CB SER A 63 34.585 22.439 34.019 1.00 20.00 C ATOM 872 OG SER A 63 33.882 21.481 34.781 1.00 20.00 O ATOM 0 H SER A 63 36.559 23.561 32.741 1.00 20.00 H new ATOM 0 HA SER A 63 36.119 22.676 35.519 1.00 20.00 H new ATOM 0 HB2 SER A 63 34.128 23.420 34.147 1.00 20.00 H new ATOM 0 HB3 SER A 63 34.517 22.191 32.960 1.00 20.00 H new ATOM 0 HG SER A 63 32.944 21.461 34.497 1.00 20.00 H new ATOM 878 N CYS A 64 37.390 20.929 33.032 1.00 20.00 N ATOM 879 CA CYS A 64 38.158 19.709 32.743 1.00 20.00 C ATOM 880 C CYS A 64 39.349 19.520 33.703 1.00 20.00 C ATOM 881 O CYS A 64 39.738 18.381 33.960 1.00 20.00 O ATOM 882 CB CYS A 64 38.678 19.716 31.295 1.00 20.00 C ATOM 883 SG CYS A 64 37.446 19.705 29.954 1.00 20.00 S ATOM 0 H CYS A 64 37.382 21.599 32.263 1.00 20.00 H new ATOM 0 HA CYS A 64 37.469 18.876 32.885 1.00 20.00 H new ATOM 0 HB2 CYS A 64 39.305 20.599 31.168 1.00 20.00 H new ATOM 0 HB3 CYS A 64 39.322 18.846 31.166 1.00 20.00 H new ATOM 888 N GLY A 65 39.899 20.614 34.256 1.00 20.00 N ATOM 889 CA GLY A 65 40.992 20.610 35.225 1.00 20.00 C ATOM 890 C GLY A 65 42.372 20.585 34.560 1.00 20.00 C ATOM 891 O GLY A 65 42.499 20.318 33.367 1.00 20.00 O ATOM 0 H GLY A 65 39.579 21.555 34.028 1.00 20.00 H new ATOM 0 HA2 GLY A 65 40.914 21.494 35.858 1.00 20.00 H new ATOM 0 HA3 GLY A 65 40.891 19.742 35.876 1.00 20.00 H new ATOM 895 N LYS A 66 43.416 20.855 35.355 1.00 20.00 N ATOM 896 CA LYS A 66 44.804 20.944 34.907 1.00 20.00 C ATOM 897 C LYS A 66 45.290 19.604 34.354 1.00 20.00 C ATOM 898 O LYS A 66 45.063 18.548 34.946 1.00 20.00 O ATOM 899 CB LYS A 66 45.669 21.439 36.077 1.00 20.00 C ATOM 900 CG LYS A 66 47.061 21.904 35.622 1.00 20.00 C ATOM 901 CD LYS A 66 47.856 22.476 36.802 1.00 20.00 C ATOM 902 CE LYS A 66 49.126 23.168 36.304 1.00 20.00 C ATOM 903 NZ LYS A 66 49.846 23.846 37.400 1.00 20.00 N ATOM 0 H LYS A 66 43.310 21.022 36.356 1.00 20.00 H new ATOM 0 HA LYS A 66 44.884 21.658 34.087 1.00 20.00 H new ATOM 0 HB2 LYS A 66 45.160 22.262 36.578 1.00 20.00 H new ATOM 0 HB3 LYS A 66 45.778 20.638 36.809 1.00 20.00 H new ATOM 0 HG2 LYS A 66 47.604 21.067 35.184 1.00 20.00 H new ATOM 0 HG3 LYS A 66 46.960 22.661 34.844 1.00 20.00 H new ATOM 0 HD2 LYS A 66 47.240 23.186 37.354 1.00 20.00 H new ATOM 0 HD3 LYS A 66 48.118 21.676 37.494 1.00 20.00 H new ATOM 0 HE2 LYS A 66 49.782 22.433 35.838 1.00 20.00 H new ATOM 0 HE3 LYS A 66 48.866 23.895 35.535 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 50.701 24.303 37.023 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 49.229 24.565 37.828 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 50.116 23.148 38.122 1.00 20.00 H new ATOM 917 N GLY A 67 45.949 19.676 33.193 1.00 20.00 N ATOM 918 CA GLY A 67 46.364 18.534 32.393 1.00 20.00 C ATOM 919 C GLY A 67 45.370 18.177 31.282 1.00 20.00 C ATOM 920 O GLY A 67 45.646 17.244 30.527 1.00 20.00 O ATOM 0 H GLY A 67 46.215 20.567 32.775 1.00 20.00 H new ATOM 0 HA2 GLY A 67 47.336 18.746 31.947 1.00 20.00 H new ATOM 0 HA3 GLY A 67 46.494 17.671 33.045 1.00 20.00 H new ATOM 924 N GLN A 68 44.229 18.883 31.178 1.00 20.00 N ATOM 925 CA GLN A 68 43.123 18.523 30.297 1.00 20.00 C ATOM 926 C GLN A 68 42.347 19.763 29.817 1.00 20.00 C ATOM 927 O GLN A 68 42.060 20.672 30.593 1.00 20.00 O ATOM 928 CB GLN A 68 42.223 17.544 31.069 1.00 20.00 C ATOM 929 CG GLN A 68 41.293 16.767 30.142 1.00 20.00 C ATOM 930 CD GLN A 68 40.539 15.673 30.897 1.00 20.00 C ATOM 931 OE1 GLN A 68 39.884 15.936 31.902 1.00 20.00 O ATOM 932 NE2 GLN A 68 40.612 14.434 30.414 1.00 20.00 N ATOM 0 H GLN A 68 44.055 19.732 31.716 1.00 20.00 H new ATOM 0 HA GLN A 68 43.501 18.049 29.391 1.00 20.00 H new ATOM 0 HB2 GLN A 68 42.845 16.844 31.628 1.00 20.00 H new ATOM 0 HB3 GLN A 68 41.630 18.096 31.798 1.00 20.00 H new ATOM 0 HG2 GLN A 68 40.580 17.451 29.682 1.00 20.00 H new ATOM 0 HG3 GLN A 68 41.872 16.320 29.334 1.00 20.00 H new ATOM 0 HE21 GLN A 68 41.164 14.244 29.577 1.00 20.00 H new ATOM 0 HE22 GLN A 68 40.116 13.675 30.881 1.00 20.00 H new ATOM 941 N LYS A 69 41.987 19.784 28.527 1.00 20.00 N ATOM 942 CA LYS A 69 41.351 20.890 27.818 1.00 20.00 C ATOM 943 C LYS A 69 40.161 20.424 26.967 1.00 20.00 C ATOM 944 O LYS A 69 39.960 19.225 26.796 1.00 20.00 O ATOM 945 CB LYS A 69 42.402 21.546 26.911 1.00 20.00 C ATOM 946 CG LYS A 69 43.651 22.091 27.616 1.00 20.00 C ATOM 947 CD LYS A 69 43.327 23.298 28.507 1.00 20.00 C ATOM 948 CE LYS A 69 44.598 24.000 28.963 1.00 20.00 C ATOM 949 NZ LYS A 69 44.287 25.152 29.843 1.00 20.00 N ATOM 0 H LYS A 69 42.143 18.980 27.919 1.00 20.00 H new ATOM 0 HA LYS A 69 40.966 21.597 28.553 1.00 20.00 H new ATOM 0 HB2 LYS A 69 42.719 20.815 26.167 1.00 20.00 H new ATOM 0 HB3 LYS A 69 41.927 22.365 26.371 1.00 20.00 H new ATOM 0 HG2 LYS A 69 44.098 21.303 28.222 1.00 20.00 H new ATOM 0 HG3 LYS A 69 44.392 22.379 26.870 1.00 20.00 H new ATOM 0 HD2 LYS A 69 42.697 23.999 27.960 1.00 20.00 H new ATOM 0 HD3 LYS A 69 42.757 22.970 29.376 1.00 20.00 H new ATOM 0 HE2 LYS A 69 45.236 23.294 29.495 1.00 20.00 H new ATOM 0 HE3 LYS A 69 45.159 24.344 28.094 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 45.172 25.612 30.139 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 43.698 25.835 29.325 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 43.773 24.818 30.683 1.00 20.00 H new ATOM 963 N CYS A 70 39.393 21.366 26.388 1.00 20.00 N ATOM 964 CA CYS A 70 38.421 21.028 25.347 1.00 20.00 C ATOM 965 C CYS A 70 39.152 20.620 24.059 1.00 20.00 C ATOM 966 O CYS A 70 40.087 21.291 23.625 1.00 20.00 O ATOM 967 CB CYS A 70 37.453 22.183 25.038 1.00 20.00 C ATOM 968 SG CYS A 70 36.200 21.693 23.805 1.00 20.00 S ATOM 0 H CYS A 70 39.430 22.357 26.625 1.00 20.00 H new ATOM 0 HA CYS A 70 37.828 20.197 25.728 1.00 20.00 H new ATOM 0 HB2 CYS A 70 36.958 22.499 25.956 1.00 20.00 H new ATOM 0 HB3 CYS A 70 38.014 23.040 24.667 1.00 20.00 H new ATOM 973 N CYS A 71 38.651 19.561 23.419 1.00 20.00 N ATOM 974 CA CYS A 71 38.934 19.187 22.041 1.00 20.00 C ATOM 975 C CYS A 71 37.625 18.736 21.378 1.00 20.00 C ATOM 976 O CYS A 71 36.625 18.520 22.063 1.00 20.00 O ATOM 977 CB CYS A 71 39.978 18.066 22.036 1.00 20.00 C ATOM 978 SG CYS A 71 40.941 17.902 20.511 1.00 20.00 S ATOM 0 H CYS A 71 38.007 18.914 23.873 1.00 20.00 H new ATOM 0 HA CYS A 71 39.335 20.031 21.480 1.00 20.00 H new ATOM 0 HB2 CYS A 71 40.667 18.232 22.864 1.00 20.00 H new ATOM 0 HB3 CYS A 71 39.471 17.120 22.228 1.00 20.00 H new ATOM 983 N VAL A 72 37.617 18.577 20.050 1.00 20.00 N ATOM 984 CA VAL A 72 36.504 17.960 19.323 1.00 20.00 C ATOM 985 C VAL A 72 37.019 17.301 18.039 1.00 20.00 C ATOM 986 O VAL A 72 38.115 17.607 17.567 1.00 20.00 O ATOM 987 CB VAL A 72 35.388 19.010 19.072 1.00 20.00 C ATOM 988 CG1 VAL A 72 35.677 19.948 17.894 1.00 20.00 C ATOM 989 CG2 VAL A 72 34.006 18.372 18.877 1.00 20.00 C ATOM 0 H VAL A 72 38.385 18.874 19.448 1.00 20.00 H new ATOM 0 HA VAL A 72 36.056 17.167 19.922 1.00 20.00 H new ATOM 0 HB VAL A 72 35.380 19.607 19.984 1.00 20.00 H new ATOM 0 HG11 VAL A 72 34.854 20.653 17.780 1.00 20.00 H new ATOM 0 HG12 VAL A 72 36.600 20.496 18.083 1.00 20.00 H new ATOM 0 HG13 VAL A 72 35.783 19.363 16.980 1.00 20.00 H new ATOM 0 HG21 VAL A 72 33.266 19.153 18.705 1.00 20.00 H new ATOM 0 HG22 VAL A 72 34.033 17.702 18.018 1.00 20.00 H new ATOM 0 HG23 VAL A 72 33.737 17.807 19.769 1.00 20.00 H new ATOM 999 N TRP A 73 36.200 16.412 17.471 1.00 20.00 N ATOM 1000 CA TRP A 73 36.481 15.662 16.255 1.00 20.00 C ATOM 1001 C TRP A 73 35.409 15.881 15.180 1.00 20.00 C ATOM 1002 O TRP A 73 34.452 16.629 15.389 1.00 20.00 O ATOM 1003 CB TRP A 73 36.731 14.190 16.622 1.00 20.00 C ATOM 1004 CG TRP A 73 35.630 13.465 17.336 1.00 20.00 C ATOM 1005 CD1 TRP A 73 34.313 13.691 17.189 1.00 20.00 C ATOM 1006 CD2 TRP A 73 35.737 12.385 18.309 1.00 20.00 C ATOM 1007 NE1 TRP A 73 33.591 12.824 17.986 1.00 20.00 N ATOM 1008 CE2 TRP A 73 34.424 11.977 18.681 1.00 20.00 C ATOM 1009 CE3 TRP A 73 36.818 11.713 18.908 1.00 20.00 C ATOM 1010 CZ2 TRP A 73 34.196 10.922 19.585 1.00 20.00 C ATOM 1011 CZ3 TRP A 73 36.605 10.652 19.808 1.00 20.00 C ATOM 1012 CH2 TRP A 73 35.296 10.254 20.143 1.00 20.00 C ATOM 0 H TRP A 73 35.286 16.190 17.866 1.00 20.00 H new ATOM 0 HA TRP A 73 37.392 16.036 15.789 1.00 20.00 H new ATOM 0 HB2 TRP A 73 36.954 13.646 15.704 1.00 20.00 H new ATOM 0 HB3 TRP A 73 37.625 14.144 17.244 1.00 20.00 H new ATOM 0 HD1 TRP A 73 33.882 14.441 16.542 1.00 20.00 H new ATOM 0 HE1 TRP A 73 32.573 12.813 18.051 1.00 20.00 H new ATOM 0 HE3 TRP A 73 37.828 12.016 18.673 1.00 20.00 H new ATOM 0 HZ2 TRP A 73 33.189 10.631 19.845 1.00 20.00 H new ATOM 0 HZ3 TRP A 73 37.450 10.140 20.244 1.00 20.00 H new ATOM 0 HH2 TRP A 73 35.139 9.435 20.829 1.00 20.00 H new ATOM 1023 N LEU A 74 35.577 15.207 14.036 1.00 20.00 N ATOM 1024 CA LEU A 74 34.574 15.104 12.979 1.00 20.00 C ATOM 1025 C LEU A 74 33.915 13.719 13.042 1.00 20.00 C ATOM 1026 O LEU A 74 34.517 12.759 13.530 1.00 20.00 O ATOM 1027 CB LEU A 74 35.233 15.356 11.609 1.00 20.00 C ATOM 1028 CG LEU A 74 35.786 16.785 11.422 1.00 20.00 C ATOM 1029 CD1 LEU A 74 36.603 16.855 10.127 1.00 20.00 C ATOM 1030 CD2 LEU A 74 34.673 17.841 11.369 1.00 20.00 C ATOM 0 H LEU A 74 36.438 14.706 13.818 1.00 20.00 H new ATOM 0 HA LEU A 74 33.800 15.859 13.120 1.00 20.00 H new ATOM 0 HB2 LEU A 74 36.047 14.644 11.474 1.00 20.00 H new ATOM 0 HB3 LEU A 74 34.502 15.157 10.825 1.00 20.00 H new ATOM 0 HG LEU A 74 36.413 17.004 12.286 1.00 20.00 H new ATOM 0 HD11 LEU A 74 36.993 17.865 9.997 1.00 20.00 H new ATOM 0 HD12 LEU A 74 37.433 16.150 10.182 1.00 20.00 H new ATOM 0 HD13 LEU A 74 35.966 16.600 9.280 1.00 20.00 H new ATOM 0 HD21 LEU A 74 35.115 18.829 11.236 1.00 20.00 H new ATOM 0 HD22 LEU A 74 34.007 17.626 10.533 1.00 20.00 H new ATOM 0 HD23 LEU A 74 34.106 17.819 12.300 1.00 20.00 H new ATOM 1042 N HIS A 75 32.674 13.630 12.545 1.00 20.00 N ATOM 1043 CA HIS A 75 31.844 12.429 12.582 1.00 20.00 C ATOM 1044 C HIS A 75 32.446 11.309 11.724 1.00 20.00 C ATOM 1045 O HIS A 75 32.621 11.530 10.508 1.00 20.00 O ATOM 1046 CB HIS A 75 30.416 12.788 12.143 1.00 20.00 C ATOM 1047 CG HIS A 75 29.418 11.657 12.226 1.00 20.00 C ATOM 1048 ND1 HIS A 75 28.262 11.563 11.476 1.00 20.00 N ATOM 1049 CD2 HIS A 75 29.472 10.573 13.061 1.00 20.00 C ATOM 1050 CE1 HIS A 75 27.628 10.435 11.847 1.00 20.00 C ATOM 1051 NE2 HIS A 75 28.345 9.818 12.805 1.00 20.00 N ATOM 1052 OXT HIS A 75 32.736 10.241 12.313 1.00 20.00 O ATOM 0 H HIS A 75 32.210 14.418 12.093 1.00 20.00 H new ATOM 0 HA HIS A 75 31.807 12.047 13.602 1.00 20.00 H new ATOM 0 HB2 HIS A 75 30.059 13.613 12.760 1.00 20.00 H new ATOM 0 HB3 HIS A 75 30.448 13.149 11.115 1.00 20.00 H new ATOM 0 HD2 HIS A 75 30.246 10.352 13.781 1.00 20.00 H new ATOM 0 HE1 HIS A 75 26.692 10.081 11.440 1.00 20.00 H new ATOM 0 HE2 HIS A 75 28.097 8.941 13.264 1.00 20.00 H new TER 1061 HIS A 75