USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 639 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 6 SER OG : rot 180:sc= -0.343 USER MOD Set 1.2: B 11 TYR OH : rot 52:sc= 0.537! USER MOD Set 2.1: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 71 GLN :FLIP amide:sc= -1.54 F(o=-6.2!,f=-1.5) USER MOD Set 3.1: A 61 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 5 THR OG1 : rot -34:sc= 1.82 USER MOD Set 4.2: A 8 THR OG1 : rot 46:sc= -2.6! USER MOD Single : A 1 ILE N :NH3+ 149:sc= -1.46! (180deg=-2.44!) USER MOD Single : A 4 HIS : no HD1:sc= -15.3! C(o=-15!,f=-15!) USER MOD Single : A 6 THR OG1 : rot -68:sc= -1.51! USER MOD Single : A 9 SER OG : rot 180:sc= -1.36! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 103:sc= 0.0612 USER MOD Single : A 21 ASN :FLIP amide:sc= -1.95 F(o=-5.1!,f=-2) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -140:sc= -4.91! (180deg=-7!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.115 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.717 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -4.5! C(o=-4.5!,f=-7!) USER MOD Single : A 68 HIS : no HE2:sc= -19.1! C(o=-19!,f=-19!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -179:sc= -0.11 (180deg=-0.111) USER MOD Single : B 3 TYR OH : rot 180:sc= -2.93! USER MOD Single : B 4 TYR OH : rot 99:sc= -3.66! USER MOD Single : B 7 SER OG : rot 71:sc= 0.85 USER MOD Single : B 9 LYS NZ :NH3+ -123:sc= -0.525 (180deg=-1.04) USER MOD Single : B 10 SER OG : rot -57:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 7.789 15.358 -0.686 1.00 0.00 N ATOM 2 CA ILE A 1 6.448 14.930 -1.179 1.00 0.00 C ATOM 3 C ILE A 1 5.773 14.019 -0.151 1.00 0.00 C ATOM 4 O ILE A 1 6.427 13.335 0.610 1.00 0.00 O ATOM 5 CB ILE A 1 6.727 14.164 -2.471 1.00 0.00 C ATOM 6 CG1 ILE A 1 7.802 13.105 -2.212 1.00 0.00 C ATOM 7 CG2 ILE A 1 7.219 15.134 -3.546 1.00 0.00 C ATOM 8 CD1 ILE A 1 8.012 12.270 -3.477 1.00 0.00 C ATOM 0 H1 ILE A 1 8.428 15.499 -1.495 1.00 0.00 H new ATOM 0 H2 ILE A 1 7.697 16.250 -0.159 1.00 0.00 H new ATOM 0 H3 ILE A 1 8.179 14.625 -0.060 1.00 0.00 H new ATOM 0 HA ILE A 1 5.779 15.775 -1.342 1.00 0.00 H new ATOM 0 HB ILE A 1 5.811 13.681 -2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 1 8.737 13.584 -1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 1 7.502 12.462 -1.385 1.00 0.00 H new ATOM 0 HG21 ILE A 1 7.418 14.586 -4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 1 6.456 15.890 -3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 1 8.135 15.618 -3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 1 8.777 11.516 -3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 1 7.077 11.779 -3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 1 8.331 12.919 -4.293 1.00 0.00 H new ATOM 22 N VAL A 2 4.469 14.003 -0.125 1.00 0.00 N ATOM 23 CA VAL A 2 3.754 13.132 0.854 1.00 0.00 C ATOM 24 C VAL A 2 3.376 11.809 0.193 1.00 0.00 C ATOM 25 O VAL A 2 3.316 11.704 -1.016 1.00 0.00 O ATOM 26 CB VAL A 2 2.495 13.904 1.248 1.00 0.00 C ATOM 27 CG1 VAL A 2 1.975 13.375 2.582 1.00 0.00 C ATOM 28 CG2 VAL A 2 2.824 15.389 1.396 1.00 0.00 C ATOM 0 H VAL A 2 3.867 14.554 -0.737 1.00 0.00 H new ATOM 0 HA VAL A 2 4.372 12.900 1.721 1.00 0.00 H new ATOM 0 HB VAL A 2 1.738 13.774 0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.077 13.924 2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.738 12.316 2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.739 13.508 3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.923 15.935 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.582 15.518 2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.201 15.774 0.449 1.00 0.00 H new ATOM 38 N CYS A 3 3.132 10.793 0.971 1.00 0.00 N ATOM 39 CA CYS A 3 2.772 9.478 0.374 1.00 0.00 C ATOM 40 C CYS A 3 1.571 8.868 1.099 1.00 0.00 C ATOM 41 O CYS A 3 1.302 9.188 2.237 1.00 0.00 O ATOM 42 CB CYS A 3 4.007 8.619 0.574 1.00 0.00 C ATOM 43 SG CYS A 3 5.492 9.566 0.137 1.00 0.00 S ATOM 0 H CYS A 3 3.166 10.816 1.990 1.00 0.00 H new ATOM 0 HA CYS A 3 2.490 9.563 -0.675 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.067 8.289 1.611 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.942 7.723 -0.043 1.00 0.00 H new ATOM 48 N HIS A 4 0.859 7.977 0.452 1.00 0.00 N ATOM 49 CA HIS A 4 -0.330 7.347 1.117 1.00 0.00 C ATOM 50 C HIS A 4 0.069 6.106 1.887 1.00 0.00 C ATOM 51 O HIS A 4 0.978 5.396 1.509 1.00 0.00 O ATOM 52 CB HIS A 4 -1.275 6.926 0.015 1.00 0.00 C ATOM 53 CG HIS A 4 -1.497 8.039 -0.967 1.00 0.00 C ATOM 54 ND1 HIS A 4 -1.807 9.325 -0.566 1.00 0.00 N ATOM 55 CD2 HIS A 4 -1.495 8.063 -2.335 1.00 0.00 C ATOM 56 CE1 HIS A 4 -1.979 10.065 -1.674 1.00 0.00 C ATOM 57 NE2 HIS A 4 -1.801 9.342 -2.782 1.00 0.00 N ATOM 0 H HIS A 4 1.045 7.660 -0.499 1.00 0.00 H new ATOM 0 HA HIS A 4 -0.780 8.057 1.811 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.869 6.057 -0.503 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.229 6.623 0.447 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -1.287 7.215 -2.971 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -2.230 11.115 -1.669 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -1.874 9.660 -3.748 1.00 0.00 H new ATOM 65 N THR A 5 -0.623 5.807 2.945 1.00 0.00 N ATOM 66 CA THR A 5 -0.284 4.581 3.693 1.00 0.00 C ATOM 67 C THR A 5 -1.496 3.679 3.796 1.00 0.00 C ATOM 68 O THR A 5 -2.449 3.939 4.504 1.00 0.00 O ATOM 69 CB THR A 5 0.173 4.996 5.079 1.00 0.00 C ATOM 70 OG1 THR A 5 -0.897 4.838 5.996 1.00 0.00 O ATOM 71 CG2 THR A 5 0.669 6.446 5.094 1.00 0.00 C ATOM 0 H THR A 5 -1.399 6.354 3.318 1.00 0.00 H new ATOM 0 HA THR A 5 0.504 4.031 3.180 1.00 0.00 H new ATOM 0 HB THR A 5 1.006 4.357 5.372 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.745 5.039 5.547 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.989 6.711 6.102 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.509 6.550 4.408 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.138 7.110 4.783 1.00 0.00 H new ATOM 79 N THR A 6 -1.428 2.604 3.113 1.00 0.00 N ATOM 80 CA THR A 6 -2.521 1.605 3.159 1.00 0.00 C ATOM 81 C THR A 6 -2.183 0.584 4.242 1.00 0.00 C ATOM 82 O THR A 6 -3.019 -0.172 4.693 1.00 0.00 O ATOM 83 CB THR A 6 -2.524 0.942 1.776 1.00 0.00 C ATOM 84 OG1 THR A 6 -1.369 1.337 1.052 1.00 0.00 O ATOM 85 CG2 THR A 6 -3.768 1.370 1.002 1.00 0.00 C ATOM 0 H THR A 6 -0.647 2.356 2.505 1.00 0.00 H new ATOM 0 HA THR A 6 -3.495 2.039 3.386 1.00 0.00 H new ATOM 0 HB THR A 6 -2.525 -0.141 1.902 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.431 2.290 0.832 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.766 0.897 0.020 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.660 1.066 1.550 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.767 2.453 0.883 1.00 0.00 H new ATOM 93 N ALA A 7 -0.936 0.546 4.633 1.00 0.00 N ATOM 94 CA ALA A 7 -0.495 -0.436 5.657 1.00 0.00 C ATOM 95 C ALA A 7 -0.529 0.139 7.078 1.00 0.00 C ATOM 96 O ALA A 7 -0.737 -0.580 8.035 1.00 0.00 O ATOM 97 CB ALA A 7 0.929 -0.799 5.238 1.00 0.00 C ATOM 0 H ALA A 7 -0.201 1.160 4.282 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.158 -1.300 5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.341 -1.524 5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.915 -1.230 4.237 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.548 0.098 5.238 1.00 0.00 H new ATOM 103 N THR A 8 -0.318 1.414 7.238 1.00 0.00 N ATOM 104 CA THR A 8 -0.334 1.991 8.616 1.00 0.00 C ATOM 105 C THR A 8 -1.692 2.630 8.897 1.00 0.00 C ATOM 106 O THR A 8 -2.596 1.992 9.400 1.00 0.00 O ATOM 107 CB THR A 8 0.770 3.049 8.618 1.00 0.00 C ATOM 108 OG1 THR A 8 0.871 3.628 7.324 1.00 0.00 O ATOM 109 CG2 THR A 8 2.101 2.399 8.994 1.00 0.00 C ATOM 0 H THR A 8 -0.137 2.078 6.485 1.00 0.00 H new ATOM 0 HA THR A 8 -0.171 1.236 9.385 1.00 0.00 H new ATOM 0 HB THR A 8 0.530 3.824 9.345 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.025 3.839 6.989 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.887 3.154 8.995 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.022 1.956 9.987 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.345 1.623 8.269 1.00 0.00 H new ATOM 117 N SER A 9 -1.851 3.876 8.563 1.00 0.00 N ATOM 118 CA SER A 9 -3.159 4.543 8.797 1.00 0.00 C ATOM 119 C SER A 9 -4.191 3.936 7.842 1.00 0.00 C ATOM 120 O SER A 9 -3.912 2.937 7.208 1.00 0.00 O ATOM 121 CB SER A 9 -2.897 6.013 8.473 1.00 0.00 C ATOM 122 OG SER A 9 -3.367 6.820 9.544 1.00 0.00 O ATOM 0 H SER A 9 -1.133 4.462 8.138 1.00 0.00 H new ATOM 0 HA SER A 9 -3.544 4.424 9.810 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.831 6.179 8.318 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.401 6.289 7.546 1.00 0.00 H new ATOM 0 HG SER A 9 -3.199 7.764 9.341 1.00 0.00 H new ATOM 128 N PRO A 10 -5.346 4.541 7.747 1.00 0.00 N ATOM 129 CA PRO A 10 -6.379 4.002 6.833 1.00 0.00 C ATOM 130 C PRO A 10 -5.907 4.148 5.388 1.00 0.00 C ATOM 131 O PRO A 10 -5.578 3.187 4.722 1.00 0.00 O ATOM 132 CB PRO A 10 -7.607 4.861 7.127 1.00 0.00 C ATOM 133 CG PRO A 10 -7.070 6.125 7.717 1.00 0.00 C ATOM 134 CD PRO A 10 -5.803 5.754 8.444 1.00 0.00 C ATOM 0 HA PRO A 10 -6.589 2.942 6.975 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.174 5.061 6.218 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.282 4.359 7.820 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.869 6.861 6.939 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.792 6.572 8.400 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.061 6.551 8.389 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.989 5.563 9.501 1.00 0.00 H new ATOM 142 N ILE A 11 -5.850 5.351 4.922 1.00 0.00 N ATOM 143 CA ILE A 11 -5.382 5.622 3.553 1.00 0.00 C ATOM 144 C ILE A 11 -5.430 7.119 3.310 1.00 0.00 C ATOM 145 O ILE A 11 -6.472 7.725 3.161 1.00 0.00 O ATOM 146 CB ILE A 11 -6.302 4.824 2.643 1.00 0.00 C ATOM 147 CG1 ILE A 11 -5.405 3.850 1.865 1.00 0.00 C ATOM 148 CG2 ILE A 11 -7.082 5.741 1.680 1.00 0.00 C ATOM 149 CD1 ILE A 11 -5.870 3.703 0.412 1.00 0.00 C ATOM 0 H ILE A 11 -6.117 6.182 5.450 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.351 5.322 3.368 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.052 4.291 3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.375 4.206 1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.415 2.875 2.352 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.729 5.136 1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.689 6.440 2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.380 6.296 1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.214 3.007 -0.111 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.891 3.323 0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.835 4.674 -0.081 1.00 0.00 H new ATOM 161 N SER A 12 -4.289 7.703 3.296 1.00 0.00 N ATOM 162 CA SER A 12 -4.185 9.163 3.089 1.00 0.00 C ATOM 163 C SER A 12 -2.720 9.500 2.903 1.00 0.00 C ATOM 164 O SER A 12 -1.853 8.764 3.342 1.00 0.00 O ATOM 165 CB SER A 12 -4.732 9.794 4.368 1.00 0.00 C ATOM 166 OG SER A 12 -3.976 9.332 5.480 1.00 0.00 O ATOM 0 H SER A 12 -3.397 7.225 3.422 1.00 0.00 H new ATOM 0 HA SER A 12 -4.734 9.522 2.218 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.678 10.881 4.303 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.783 9.534 4.495 1.00 0.00 H new ATOM 0 HG SER A 12 -4.323 9.736 6.302 1.00 0.00 H new ATOM 172 N ALA A 13 -2.422 10.579 2.251 1.00 0.00 N ATOM 173 CA ALA A 13 -0.997 10.913 2.041 1.00 0.00 C ATOM 174 C ALA A 13 -0.419 11.633 3.244 1.00 0.00 C ATOM 175 O ALA A 13 -0.561 12.831 3.390 1.00 0.00 O ATOM 176 CB ALA A 13 -0.960 11.824 0.833 1.00 0.00 C ATOM 0 H ALA A 13 -3.095 11.238 1.858 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.404 10.010 1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.071 12.109 0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.375 11.302 -0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.550 12.718 1.034 1.00 0.00 H new ATOM 182 N VAL A 14 0.257 10.927 4.091 1.00 0.00 N ATOM 183 CA VAL A 14 0.868 11.600 5.257 1.00 0.00 C ATOM 184 C VAL A 14 2.337 11.845 4.959 1.00 0.00 C ATOM 185 O VAL A 14 2.997 11.059 4.302 1.00 0.00 O ATOM 186 CB VAL A 14 0.701 10.660 6.460 1.00 0.00 C ATOM 187 CG1 VAL A 14 -0.621 9.912 6.345 1.00 0.00 C ATOM 188 CG2 VAL A 14 1.862 9.660 6.515 1.00 0.00 C ATOM 0 H VAL A 14 0.413 9.921 4.029 1.00 0.00 H new ATOM 0 HA VAL A 14 0.397 12.559 5.470 1.00 0.00 H new ATOM 0 HB VAL A 14 0.703 11.251 7.376 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.737 9.246 7.200 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.443 10.627 6.328 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.629 9.327 5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.733 8.999 7.372 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.877 9.069 5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.803 10.201 6.613 1.00 0.00 H new ATOM 198 N THR A 15 2.843 12.926 5.430 1.00 0.00 N ATOM 199 CA THR A 15 4.273 13.235 5.187 1.00 0.00 C ATOM 200 C THR A 15 5.144 12.079 5.681 1.00 0.00 C ATOM 201 O THR A 15 4.760 11.331 6.558 1.00 0.00 O ATOM 202 CB THR A 15 4.549 14.487 6.004 1.00 0.00 C ATOM 203 OG1 THR A 15 3.477 15.406 5.840 1.00 0.00 O ATOM 204 CG2 THR A 15 5.852 15.119 5.521 1.00 0.00 C ATOM 0 H THR A 15 2.333 13.620 5.977 1.00 0.00 H new ATOM 0 HA THR A 15 4.493 13.380 4.129 1.00 0.00 H new ATOM 0 HB THR A 15 4.638 14.229 7.059 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.902 15.383 6.634 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.058 16.018 6.102 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.670 14.410 5.649 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.760 15.381 4.467 1.00 0.00 H new ATOM 212 N CYS A 16 6.310 11.923 5.123 1.00 0.00 N ATOM 213 CA CYS A 16 7.202 10.815 5.554 1.00 0.00 C ATOM 214 C CYS A 16 8.370 11.367 6.380 1.00 0.00 C ATOM 215 O CYS A 16 8.608 12.558 6.397 1.00 0.00 O ATOM 216 CB CYS A 16 7.697 10.206 4.245 1.00 0.00 C ATOM 217 SG CYS A 16 6.289 9.928 3.140 1.00 0.00 S ATOM 0 H CYS A 16 6.685 12.518 4.384 1.00 0.00 H new ATOM 0 HA CYS A 16 6.698 10.083 6.185 1.00 0.00 H new ATOM 0 HB2 CYS A 16 8.419 10.871 3.772 1.00 0.00 H new ATOM 0 HB3 CYS A 16 8.211 9.265 4.440 1.00 0.00 H new ATOM 222 N PRO A 17 9.061 10.476 7.040 1.00 0.00 N ATOM 223 CA PRO A 17 10.220 10.875 7.882 1.00 0.00 C ATOM 224 C PRO A 17 11.377 11.366 7.005 1.00 0.00 C ATOM 225 O PRO A 17 11.301 11.316 5.793 1.00 0.00 O ATOM 226 CB PRO A 17 10.588 9.585 8.615 1.00 0.00 C ATOM 227 CG PRO A 17 10.067 8.488 7.745 1.00 0.00 C ATOM 228 CD PRO A 17 8.837 9.026 7.065 1.00 0.00 C ATOM 0 HA PRO A 17 9.996 11.695 8.564 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.666 9.502 8.752 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.137 9.551 9.607 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.815 8.187 7.011 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.827 7.605 8.337 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.725 8.620 6.059 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.931 8.770 7.614 1.00 0.00 H new ATOM 236 N PRO A 18 12.414 11.829 7.651 1.00 0.00 N ATOM 237 CA PRO A 18 13.602 12.340 6.920 1.00 0.00 C ATOM 238 C PRO A 18 14.331 11.195 6.215 1.00 0.00 C ATOM 239 O PRO A 18 15.268 11.408 5.471 1.00 0.00 O ATOM 240 CB PRO A 18 14.466 12.950 8.022 1.00 0.00 C ATOM 241 CG PRO A 18 14.046 12.243 9.269 1.00 0.00 C ATOM 242 CD PRO A 18 12.585 11.920 9.107 1.00 0.00 C ATOM 0 HA PRO A 18 13.351 13.059 6.140 1.00 0.00 H new ATOM 0 HB2 PRO A 18 15.527 12.802 7.821 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.304 14.025 8.103 1.00 0.00 H new ATOM 0 HG2 PRO A 18 14.630 11.334 9.415 1.00 0.00 H new ATOM 0 HG3 PRO A 18 14.209 12.871 10.145 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.323 10.984 9.601 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.952 12.696 9.538 1.00 0.00 H new ATOM 250 N GLY A 19 13.905 9.982 6.436 1.00 0.00 N ATOM 251 CA GLY A 19 14.569 8.828 5.770 1.00 0.00 C ATOM 252 C GLY A 19 13.932 8.606 4.399 1.00 0.00 C ATOM 253 O GLY A 19 14.584 8.700 3.377 1.00 0.00 O ATOM 0 H GLY A 19 13.126 9.741 7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.636 9.020 5.662 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.467 7.931 6.381 1.00 0.00 H new ATOM 257 N GLU A 20 12.661 8.315 4.369 1.00 0.00 N ATOM 258 CA GLU A 20 11.976 8.089 3.072 1.00 0.00 C ATOM 259 C GLU A 20 11.861 9.403 2.298 1.00 0.00 C ATOM 260 O GLU A 20 11.097 10.281 2.649 1.00 0.00 O ATOM 261 CB GLU A 20 10.598 7.561 3.462 1.00 0.00 C ATOM 262 CG GLU A 20 10.740 6.135 3.997 1.00 0.00 C ATOM 263 CD GLU A 20 10.740 6.159 5.526 1.00 0.00 C ATOM 264 OE1 GLU A 20 9.721 6.519 6.093 1.00 0.00 O ATOM 265 OE2 GLU A 20 11.757 5.815 6.105 1.00 0.00 O ATOM 0 H GLU A 20 12.067 8.224 5.193 1.00 0.00 H new ATOM 0 HA GLU A 20 12.513 7.397 2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.150 8.204 4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.932 7.574 2.599 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.920 5.516 3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.664 5.688 3.630 1.00 0.00 H new ATOM 272 N ASN A 21 12.624 9.546 1.250 1.00 0.00 N ATOM 273 CA ASN A 21 12.577 10.800 0.451 1.00 0.00 C ATOM 274 C ASN A 21 11.515 10.699 -0.644 1.00 0.00 C ATOM 275 O ASN A 21 11.143 11.681 -1.254 1.00 0.00 O ATOM 276 CB ASN A 21 13.963 10.901 -0.180 1.00 0.00 C ATOM 277 CG ASN A 21 15.042 10.714 0.892 1.00 0.00 C ATOM 278 OD1 ASN A 21 14.723 10.799 2.157 1.00 0.00 O flip ATOM 279 ND2 ASN A 21 16.193 10.489 0.574 1.00 0.00 N flip ATOM 0 H ASN A 21 13.281 8.843 0.912 1.00 0.00 H new ATOM 0 HA ASN A 21 12.325 11.667 1.061 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.074 10.144 -0.956 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.082 11.871 -0.662 1.00 0.00 H new ATOM 0 HD21 ASN A 21 16.446 10.422 -0.412 1.00 0.00 H new ATOM 0 HD22 ASN A 21 16.906 10.367 1.293 1.00 0.00 H new ATOM 286 N LEU A 22 11.040 9.516 -0.911 1.00 0.00 N ATOM 287 CA LEU A 22 10.021 9.350 -1.984 1.00 0.00 C ATOM 288 C LEU A 22 8.934 8.368 -1.534 1.00 0.00 C ATOM 289 O LEU A 22 9.031 7.779 -0.479 1.00 0.00 O ATOM 290 CB LEU A 22 10.822 8.791 -3.158 1.00 0.00 C ATOM 291 CG LEU A 22 11.140 7.314 -2.914 1.00 0.00 C ATOM 292 CD1 LEU A 22 10.280 6.459 -3.839 1.00 0.00 C ATOM 293 CD2 LEU A 22 12.616 7.053 -3.218 1.00 0.00 C ATOM 0 H LEU A 22 11.313 8.657 -0.433 1.00 0.00 H new ATOM 0 HA LEU A 22 9.505 10.276 -2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.255 8.902 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.746 9.356 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 22 10.932 7.062 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.501 5.405 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.226 6.646 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.497 6.714 -4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.843 6.001 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.823 7.302 -4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.236 7.670 -2.568 1.00 0.00 H new ATOM 305 N CYS A 23 7.901 8.172 -2.316 1.00 0.00 N ATOM 306 CA CYS A 23 6.844 7.210 -1.889 1.00 0.00 C ATOM 307 C CYS A 23 7.043 5.890 -2.606 1.00 0.00 C ATOM 308 O CYS A 23 7.892 5.754 -3.462 1.00 0.00 O ATOM 309 CB CYS A 23 5.505 7.818 -2.292 1.00 0.00 C ATOM 310 SG CYS A 23 5.486 9.576 -1.879 1.00 0.00 S ATOM 0 H CYS A 23 7.747 8.628 -3.215 1.00 0.00 H new ATOM 0 HA CYS A 23 6.884 7.029 -0.815 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.341 7.684 -3.361 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.692 7.305 -1.778 1.00 0.00 H new ATOM 315 N TYR A 24 6.256 4.919 -2.289 1.00 0.00 N ATOM 316 CA TYR A 24 6.415 3.626 -2.976 1.00 0.00 C ATOM 317 C TYR A 24 5.113 2.853 -2.972 1.00 0.00 C ATOM 318 O TYR A 24 4.121 3.281 -2.426 1.00 0.00 O ATOM 319 CB TYR A 24 7.491 2.867 -2.201 1.00 0.00 C ATOM 320 CG TYR A 24 6.913 2.341 -0.915 1.00 0.00 C ATOM 321 CD1 TYR A 24 6.908 3.140 0.227 1.00 0.00 C ATOM 322 CD2 TYR A 24 6.385 1.051 -0.873 1.00 0.00 C ATOM 323 CE1 TYR A 24 6.370 2.648 1.423 1.00 0.00 C ATOM 324 CE2 TYR A 24 5.846 0.555 0.320 1.00 0.00 C ATOM 325 CZ TYR A 24 5.838 1.354 1.469 1.00 0.00 C ATOM 326 OH TYR A 24 5.306 0.866 2.646 1.00 0.00 O ATOM 0 H TYR A 24 5.515 4.962 -1.590 1.00 0.00 H new ATOM 0 HA TYR A 24 6.697 3.764 -4.020 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.873 2.043 -2.803 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.334 3.525 -1.990 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.319 4.138 0.190 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.392 0.435 -1.760 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.366 3.266 2.309 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.437 -0.444 0.354 1.00 0.00 H new ATOM 0 HH TYR A 24 4.979 -0.047 2.504 1.00 0.00 H new ATOM 336 N ARG A 25 5.120 1.714 -3.579 1.00 0.00 N ATOM 337 CA ARG A 25 3.880 0.886 -3.620 1.00 0.00 C ATOM 338 C ARG A 25 4.239 -0.582 -3.366 1.00 0.00 C ATOM 339 O ARG A 25 4.911 -1.200 -4.163 1.00 0.00 O ATOM 340 CB ARG A 25 3.328 1.061 -5.042 1.00 0.00 C ATOM 341 CG ARG A 25 3.576 2.493 -5.537 1.00 0.00 C ATOM 342 CD ARG A 25 2.891 2.693 -6.890 1.00 0.00 C ATOM 343 NE ARG A 25 2.411 4.102 -6.870 1.00 0.00 N ATOM 344 CZ ARG A 25 1.230 4.393 -7.339 1.00 0.00 C ATOM 345 NH1 ARG A 25 0.183 3.741 -6.915 1.00 0.00 N ATOM 346 NH2 ARG A 25 1.095 5.334 -8.232 1.00 0.00 N ATOM 0 H ARG A 25 5.928 1.311 -4.053 1.00 0.00 H new ATOM 0 HA ARG A 25 3.153 1.184 -2.865 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.805 0.349 -5.715 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.260 0.845 -5.054 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.191 3.211 -4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.646 2.677 -5.629 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.585 2.523 -7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.064 1.995 -7.021 1.00 0.00 H new ATOM 0 HE ARG A 25 3.005 4.839 -6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.289 3.005 -6.217 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.742 3.968 -7.281 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.914 5.843 -8.564 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.170 5.561 -8.598 1.00 0.00 H new ATOM 360 N LYS A 26 3.802 -1.164 -2.281 1.00 0.00 N ATOM 361 CA LYS A 26 4.159 -2.584 -2.048 1.00 0.00 C ATOM 362 C LYS A 26 2.981 -3.476 -2.374 1.00 0.00 C ATOM 363 O LYS A 26 1.854 -3.037 -2.489 1.00 0.00 O ATOM 364 CB LYS A 26 4.514 -2.710 -0.565 1.00 0.00 C ATOM 365 CG LYS A 26 6.012 -2.983 -0.422 1.00 0.00 C ATOM 366 CD LYS A 26 6.506 -2.464 0.931 1.00 0.00 C ATOM 367 CE LYS A 26 7.695 -1.525 0.713 1.00 0.00 C ATOM 368 NZ LYS A 26 8.874 -2.425 0.584 1.00 0.00 N ATOM 0 H LYS A 26 3.226 -0.725 -1.563 1.00 0.00 H new ATOM 0 HA LYS A 26 4.993 -2.887 -2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.248 -1.794 -0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.941 -3.518 -0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.206 -4.052 -0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.559 -2.497 -1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.703 -1.937 1.446 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.800 -3.299 1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.561 -0.919 -0.183 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.813 -0.836 1.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.731 -1.855 0.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.980 -2.985 1.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.736 -3.065 -0.224 1.00 0.00 H new ATOM 382 N MET A 27 3.241 -4.729 -2.506 1.00 0.00 N ATOM 383 CA MET A 27 2.162 -5.686 -2.807 1.00 0.00 C ATOM 384 C MET A 27 2.664 -7.076 -2.508 1.00 0.00 C ATOM 385 O MET A 27 3.847 -7.345 -2.561 1.00 0.00 O ATOM 386 CB MET A 27 1.855 -5.510 -4.293 1.00 0.00 C ATOM 387 CG MET A 27 0.409 -5.042 -4.467 1.00 0.00 C ATOM 388 SD MET A 27 0.170 -4.438 -6.156 1.00 0.00 S ATOM 389 CE MET A 27 -1.567 -3.958 -5.983 1.00 0.00 C ATOM 0 H MET A 27 4.170 -5.140 -2.417 1.00 0.00 H new ATOM 0 HA MET A 27 1.262 -5.522 -2.214 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.538 -4.783 -4.732 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.009 -6.451 -4.820 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.278 -5.864 -4.263 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.183 -4.252 -3.751 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.111 -4.228 -6.888 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.004 -4.475 -5.129 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.633 -2.881 -5.827 1.00 0.00 H new ATOM 399 N TRP A 28 1.792 -7.954 -2.150 1.00 0.00 N ATOM 400 CA TRP A 28 2.263 -9.305 -1.804 1.00 0.00 C ATOM 401 C TRP A 28 1.095 -10.288 -1.709 1.00 0.00 C ATOM 402 O TRP A 28 0.615 -10.802 -2.700 1.00 0.00 O ATOM 403 CB TRP A 28 2.953 -9.117 -0.444 1.00 0.00 C ATOM 404 CG TRP A 28 2.350 -7.988 0.372 1.00 0.00 C ATOM 405 CD1 TRP A 28 1.056 -7.894 0.794 1.00 0.00 C ATOM 406 CD2 TRP A 28 3.022 -6.805 0.892 1.00 0.00 C ATOM 407 NE1 TRP A 28 0.913 -6.744 1.553 1.00 0.00 N ATOM 408 CE2 TRP A 28 2.095 -6.037 1.636 1.00 0.00 C ATOM 409 CE3 TRP A 28 4.338 -6.334 0.792 1.00 0.00 C ATOM 410 CZ2 TRP A 28 2.470 -4.846 2.261 1.00 0.00 C ATOM 411 CZ3 TRP A 28 4.719 -5.136 1.414 1.00 0.00 C ATOM 412 CH2 TRP A 28 3.787 -4.394 2.149 1.00 0.00 C ATOM 0 H TRP A 28 0.786 -7.800 -2.082 1.00 0.00 H new ATOM 0 HA TRP A 28 2.932 -9.724 -2.555 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.886 -10.045 0.124 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.013 -8.917 -0.604 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.271 -8.601 0.572 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.041 -6.455 1.996 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.067 -6.899 0.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.747 -4.278 2.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.736 -4.784 1.325 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.086 -3.474 2.629 1.00 0.00 H new ATOM 423 N CYS A 29 0.637 -10.548 -0.527 1.00 0.00 N ATOM 424 CA CYS A 29 -0.499 -11.485 -0.340 1.00 0.00 C ATOM 425 C CYS A 29 -1.355 -11.000 0.828 1.00 0.00 C ATOM 426 O CYS A 29 -1.322 -9.842 1.192 1.00 0.00 O ATOM 427 CB CYS A 29 0.157 -12.823 -0.013 1.00 0.00 C ATOM 428 SG CYS A 29 0.104 -13.895 -1.469 1.00 0.00 S ATOM 0 H CYS A 29 1.006 -10.146 0.335 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.148 -11.558 -1.213 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.190 -12.667 0.299 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.359 -13.299 0.821 1.00 0.00 H new ATOM 433 N ASP A 30 -2.119 -11.867 1.418 1.00 0.00 N ATOM 434 CA ASP A 30 -2.974 -11.443 2.561 1.00 0.00 C ATOM 435 C ASP A 30 -3.386 -12.664 3.388 1.00 0.00 C ATOM 436 O ASP A 30 -2.797 -13.722 3.283 1.00 0.00 O ATOM 437 CB ASP A 30 -4.202 -10.796 1.920 1.00 0.00 C ATOM 438 CG ASP A 30 -4.623 -11.592 0.680 1.00 0.00 C ATOM 439 OD1 ASP A 30 -3.885 -11.571 -0.292 1.00 0.00 O ATOM 440 OD2 ASP A 30 -5.676 -12.207 0.723 1.00 0.00 O ATOM 0 H ASP A 30 -2.191 -12.852 1.161 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.457 -10.758 3.233 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.022 -10.762 2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.978 -9.766 1.643 1.00 0.00 H new ATOM 445 N ALA A 31 -4.398 -12.533 4.201 1.00 0.00 N ATOM 446 CA ALA A 31 -4.845 -13.696 5.018 1.00 0.00 C ATOM 447 C ALA A 31 -5.084 -14.902 4.106 1.00 0.00 C ATOM 448 O ALA A 31 -4.994 -16.039 4.523 1.00 0.00 O ATOM 449 CB ALA A 31 -6.153 -13.247 5.671 1.00 0.00 C ATOM 0 H ALA A 31 -4.933 -11.675 4.335 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.106 -13.993 5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.545 -14.053 6.291 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.968 -12.370 6.291 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.879 -12.998 4.897 1.00 0.00 H new ATOM 455 N PHE A 32 -5.384 -14.657 2.858 1.00 0.00 N ATOM 456 CA PHE A 32 -5.625 -15.781 1.909 1.00 0.00 C ATOM 457 C PHE A 32 -4.445 -15.910 0.940 1.00 0.00 C ATOM 458 O PHE A 32 -4.030 -16.999 0.594 1.00 0.00 O ATOM 459 CB PHE A 32 -6.900 -15.398 1.157 1.00 0.00 C ATOM 460 CG PHE A 32 -8.037 -16.282 1.610 1.00 0.00 C ATOM 461 CD1 PHE A 32 -8.281 -17.498 0.959 1.00 0.00 C ATOM 462 CD2 PHE A 32 -8.847 -15.887 2.681 1.00 0.00 C ATOM 463 CE1 PHE A 32 -9.335 -18.317 1.380 1.00 0.00 C ATOM 464 CE2 PHE A 32 -9.901 -16.706 3.102 1.00 0.00 C ATOM 465 CZ PHE A 32 -10.145 -17.922 2.451 1.00 0.00 C ATOM 0 H PHE A 32 -5.473 -13.724 2.455 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.727 -16.740 2.417 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.143 -14.352 1.341 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.748 -15.505 0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.656 -17.803 0.133 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.659 -14.949 3.183 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.523 -19.255 0.878 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.526 -16.401 3.928 1.00 0.00 H new ATOM 0 HZ PHE A 32 -10.958 -18.555 2.775 1.00 0.00 H new ATOM 475 N CYS A 33 -3.900 -14.807 0.503 1.00 0.00 N ATOM 476 CA CYS A 33 -2.746 -14.868 -0.440 1.00 0.00 C ATOM 477 C CYS A 33 -3.118 -15.680 -1.684 1.00 0.00 C ATOM 478 O CYS A 33 -2.342 -16.478 -2.170 1.00 0.00 O ATOM 479 CB CYS A 33 -1.635 -15.568 0.346 1.00 0.00 C ATOM 480 SG CYS A 33 -0.167 -15.741 -0.699 1.00 0.00 S ATOM 0 H CYS A 33 -4.203 -13.867 0.758 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.443 -13.880 -0.788 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.392 -14.994 1.240 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.974 -16.549 0.679 1.00 0.00 H new ATOM 485 N SER A 34 -4.299 -15.489 -2.205 1.00 0.00 N ATOM 486 CA SER A 34 -4.698 -16.264 -3.417 1.00 0.00 C ATOM 487 C SER A 34 -6.021 -15.751 -3.997 1.00 0.00 C ATOM 488 O SER A 34 -6.052 -15.105 -5.026 1.00 0.00 O ATOM 489 CB SER A 34 -4.852 -17.704 -2.928 1.00 0.00 C ATOM 490 OG SER A 34 -4.053 -18.561 -3.733 1.00 0.00 O ATOM 0 H SER A 34 -4.999 -14.838 -1.850 1.00 0.00 H new ATOM 0 HA SER A 34 -3.961 -16.171 -4.214 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.549 -17.780 -1.884 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.897 -18.008 -2.979 1.00 0.00 H new ATOM 0 HG SER A 34 -4.148 -19.485 -3.421 1.00 0.00 H new ATOM 496 N SER A 35 -7.117 -16.058 -3.356 1.00 0.00 N ATOM 497 CA SER A 35 -8.445 -15.617 -3.879 1.00 0.00 C ATOM 498 C SER A 35 -8.620 -14.101 -3.749 1.00 0.00 C ATOM 499 O SER A 35 -9.321 -13.484 -4.527 1.00 0.00 O ATOM 500 CB SER A 35 -9.467 -16.345 -3.007 1.00 0.00 C ATOM 501 OG SER A 35 -10.753 -16.237 -3.602 1.00 0.00 O ATOM 0 H SER A 35 -7.151 -16.597 -2.490 1.00 0.00 H new ATOM 0 HA SER A 35 -8.557 -15.847 -4.939 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.190 -17.394 -2.900 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.480 -15.915 -2.005 1.00 0.00 H new ATOM 0 HG SER A 35 -11.411 -16.704 -3.046 1.00 0.00 H new ATOM 507 N ARG A 36 -8.004 -13.494 -2.774 1.00 0.00 N ATOM 508 CA ARG A 36 -8.160 -12.019 -2.608 1.00 0.00 C ATOM 509 C ARG A 36 -6.951 -11.279 -3.186 1.00 0.00 C ATOM 510 O ARG A 36 -6.592 -10.212 -2.729 1.00 0.00 O ATOM 511 CB ARG A 36 -8.252 -11.800 -1.097 1.00 0.00 C ATOM 512 CG ARG A 36 -9.651 -11.294 -0.737 1.00 0.00 C ATOM 513 CD ARG A 36 -10.573 -12.485 -0.468 1.00 0.00 C ATOM 514 NE ARG A 36 -10.594 -12.627 1.014 1.00 0.00 N ATOM 515 CZ ARG A 36 -11.433 -11.925 1.726 1.00 0.00 C ATOM 516 NH1 ARG A 36 -11.970 -10.846 1.226 1.00 0.00 N ATOM 517 NH2 ARG A 36 -11.735 -12.302 2.938 1.00 0.00 N ATOM 0 H ARG A 36 -7.403 -13.950 -2.088 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.037 -11.639 -3.132 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.044 -12.732 -0.571 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.500 -11.079 -0.777 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.602 -10.653 0.143 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.050 -10.688 -1.550 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.574 -12.307 -0.862 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.199 -13.390 -0.946 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.952 -13.273 1.473 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.734 -10.551 0.279 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.626 -10.298 1.783 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.315 -13.145 3.329 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.391 -11.753 3.494 1.00 0.00 H new ATOM 531 N GLY A 37 -6.320 -11.833 -4.188 1.00 0.00 N ATOM 532 CA GLY A 37 -5.134 -11.154 -4.787 1.00 0.00 C ATOM 533 C GLY A 37 -4.244 -10.620 -3.666 1.00 0.00 C ATOM 534 O GLY A 37 -4.402 -10.982 -2.517 1.00 0.00 O ATOM 0 H GLY A 37 -6.574 -12.723 -4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.576 -11.853 -5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.455 -10.337 -5.433 1.00 0.00 H new ATOM 538 N LYS A 38 -3.321 -9.750 -3.975 1.00 0.00 N ATOM 539 CA LYS A 38 -2.454 -9.197 -2.901 1.00 0.00 C ATOM 540 C LYS A 38 -3.069 -7.911 -2.379 1.00 0.00 C ATOM 541 O LYS A 38 -3.822 -7.250 -3.067 1.00 0.00 O ATOM 542 CB LYS A 38 -1.096 -8.884 -3.539 1.00 0.00 C ATOM 543 CG LYS A 38 -0.780 -9.872 -4.663 1.00 0.00 C ATOM 544 CD LYS A 38 -1.144 -9.248 -6.012 1.00 0.00 C ATOM 545 CE LYS A 38 -1.621 -10.343 -6.968 1.00 0.00 C ATOM 546 NZ LYS A 38 -0.372 -10.959 -7.497 1.00 0.00 N ATOM 0 H LYS A 38 -3.132 -9.402 -4.915 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.348 -9.902 -2.076 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.101 -7.868 -3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.315 -8.928 -2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.278 -10.133 -4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.338 -10.796 -4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.926 -8.500 -5.880 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.279 -8.735 -6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.236 -11.079 -6.451 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.229 -9.928 -7.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.615 -11.721 -8.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.190 -10.236 -7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.182 -11.351 -6.709 1.00 0.00 H new ATOM 560 N VAL A 39 -2.735 -7.523 -1.192 1.00 0.00 N ATOM 561 CA VAL A 39 -3.288 -6.248 -0.675 1.00 0.00 C ATOM 562 C VAL A 39 -2.650 -5.112 -1.478 1.00 0.00 C ATOM 563 O VAL A 39 -2.202 -5.303 -2.591 1.00 0.00 O ATOM 564 CB VAL A 39 -2.865 -6.183 0.803 1.00 0.00 C ATOM 565 CG1 VAL A 39 -3.774 -5.217 1.568 1.00 0.00 C ATOM 566 CG2 VAL A 39 -2.981 -7.569 1.438 1.00 0.00 C ATOM 0 H VAL A 39 -2.110 -8.024 -0.560 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.372 -6.171 -0.764 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.833 -5.836 0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.466 -5.178 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.698 -4.222 1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.806 -5.562 1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.680 -7.516 2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.013 -7.913 1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.332 -8.267 0.909 1.00 0.00 H new ATOM 576 N VAL A 40 -2.569 -3.955 -0.914 1.00 0.00 N ATOM 577 CA VAL A 40 -1.928 -2.815 -1.606 1.00 0.00 C ATOM 578 C VAL A 40 -1.423 -1.905 -0.521 1.00 0.00 C ATOM 579 O VAL A 40 -2.176 -1.203 0.123 1.00 0.00 O ATOM 580 CB VAL A 40 -3.005 -2.137 -2.431 1.00 0.00 C ATOM 581 CG1 VAL A 40 -2.446 -0.818 -2.951 1.00 0.00 C ATOM 582 CG2 VAL A 40 -3.378 -3.034 -3.612 1.00 0.00 C ATOM 0 H VAL A 40 -2.927 -3.743 0.017 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.107 -3.102 -2.263 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.893 -1.958 -1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.204 -0.312 -3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.165 -0.185 -2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.569 -1.013 -3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.152 -2.549 -4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.498 -3.205 -4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.751 -3.989 -3.240 1.00 0.00 H new ATOM 592 N GLU A 41 -0.170 -1.972 -0.252 1.00 0.00 N ATOM 593 CA GLU A 41 0.360 -1.176 0.866 1.00 0.00 C ATOM 594 C GLU A 41 1.463 -0.213 0.418 1.00 0.00 C ATOM 595 O GLU A 41 2.638 -0.461 0.604 1.00 0.00 O ATOM 596 CB GLU A 41 0.884 -2.239 1.826 1.00 0.00 C ATOM 597 CG GLU A 41 -0.164 -3.350 1.983 1.00 0.00 C ATOM 598 CD GLU A 41 -0.474 -3.556 3.466 1.00 0.00 C ATOM 599 OE1 GLU A 41 -1.099 -2.684 4.045 1.00 0.00 O ATOM 600 OE2 GLU A 41 -0.082 -4.582 3.996 1.00 0.00 O ATOM 0 H GLU A 41 0.512 -2.541 -0.754 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.390 -0.527 1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.818 -2.656 1.449 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.103 -1.792 2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.074 -3.085 1.444 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.206 -4.277 1.546 1.00 0.00 H new ATOM 607 N LEU A 42 1.082 0.898 -0.154 1.00 0.00 N ATOM 608 CA LEU A 42 2.088 1.903 -0.594 1.00 0.00 C ATOM 609 C LEU A 42 2.525 2.725 0.619 1.00 0.00 C ATOM 610 O LEU A 42 2.080 2.489 1.725 1.00 0.00 O ATOM 611 CB LEU A 42 1.365 2.816 -1.597 1.00 0.00 C ATOM 612 CG LEU A 42 0.342 2.034 -2.427 1.00 0.00 C ATOM 613 CD1 LEU A 42 -1.042 2.638 -2.208 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.707 2.148 -3.904 1.00 0.00 C ATOM 0 H LEU A 42 0.111 1.152 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 42 2.967 1.437 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.862 3.621 -1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.095 3.281 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 42 0.342 0.987 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.777 2.087 -2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.303 2.577 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.037 3.682 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.017 1.594 -4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.696 3.197 -4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.703 1.735 -4.066 1.00 0.00 H new ATOM 626 N GLY A 43 3.374 3.695 0.433 1.00 0.00 N ATOM 627 CA GLY A 43 3.799 4.523 1.605 1.00 0.00 C ATOM 628 C GLY A 43 5.067 5.309 1.280 1.00 0.00 C ATOM 629 O GLY A 43 5.221 5.839 0.202 1.00 0.00 O ATOM 0 H GLY A 43 3.789 3.951 -0.463 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.999 5.211 1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.975 3.879 2.467 1.00 0.00 H new ATOM 633 N CYS A 44 5.973 5.404 2.213 1.00 0.00 N ATOM 634 CA CYS A 44 7.222 6.162 1.961 1.00 0.00 C ATOM 635 C CYS A 44 8.417 5.208 1.908 1.00 0.00 C ATOM 636 O CYS A 44 8.331 4.064 2.307 1.00 0.00 O ATOM 637 CB CYS A 44 7.354 7.099 3.157 1.00 0.00 C ATOM 638 SG CYS A 44 5.799 7.987 3.414 1.00 0.00 S ATOM 0 H CYS A 44 5.899 4.987 3.141 1.00 0.00 H new ATOM 0 HA CYS A 44 7.196 6.699 1.013 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.610 6.529 4.050 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.165 7.808 2.988 1.00 0.00 H new ATOM 643 N ALA A 45 9.532 5.677 1.428 1.00 0.00 N ATOM 644 CA ALA A 45 10.738 4.817 1.357 1.00 0.00 C ATOM 645 C ALA A 45 11.963 5.660 0.998 1.00 0.00 C ATOM 646 O ALA A 45 11.903 6.536 0.157 1.00 0.00 O ATOM 647 CB ALA A 45 10.442 3.794 0.260 1.00 0.00 C ATOM 0 H ALA A 45 9.659 6.627 1.079 1.00 0.00 H new ATOM 0 HA ALA A 45 10.955 4.331 2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.293 3.122 0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.556 3.218 0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.265 4.312 -0.683 1.00 0.00 H new ATOM 653 N ALA A 46 13.072 5.408 1.639 1.00 0.00 N ATOM 654 CA ALA A 46 14.301 6.199 1.343 1.00 0.00 C ATOM 655 C ALA A 46 14.760 5.945 -0.094 1.00 0.00 C ATOM 656 O ALA A 46 15.347 6.798 -0.729 1.00 0.00 O ATOM 657 CB ALA A 46 15.345 5.691 2.338 1.00 0.00 C ATOM 0 H ALA A 46 13.180 4.689 2.354 1.00 0.00 H new ATOM 0 HA ALA A 46 14.135 7.272 1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.283 6.225 2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.992 5.861 3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.506 4.624 2.184 1.00 0.00 H new ATOM 663 N THR A 47 14.495 4.777 -0.610 1.00 0.00 N ATOM 664 CA THR A 47 14.915 4.466 -2.006 1.00 0.00 C ATOM 665 C THR A 47 14.207 3.200 -2.496 1.00 0.00 C ATOM 666 O THR A 47 13.992 2.269 -1.746 1.00 0.00 O ATOM 667 CB THR A 47 16.426 4.240 -1.925 1.00 0.00 C ATOM 668 OG1 THR A 47 16.756 3.711 -0.649 1.00 0.00 O ATOM 669 CG2 THR A 47 17.154 5.569 -2.133 1.00 0.00 C ATOM 0 H THR A 47 14.006 4.024 -0.126 1.00 0.00 H new ATOM 0 HA THR A 47 14.661 5.264 -2.704 1.00 0.00 H new ATOM 0 HB THR A 47 16.731 3.537 -2.700 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.723 3.564 -0.596 1.00 0.00 H new ATOM 0 HG21 THR A 47 18.230 5.407 -2.075 1.00 0.00 H new ATOM 0 HG22 THR A 47 16.900 5.974 -3.113 1.00 0.00 H new ATOM 0 HG23 THR A 47 16.851 6.275 -1.359 1.00 0.00 H new ATOM 677 N CYS A 48 13.843 3.161 -3.749 1.00 0.00 N ATOM 678 CA CYS A 48 13.148 1.956 -4.288 1.00 0.00 C ATOM 679 C CYS A 48 13.806 0.682 -3.753 1.00 0.00 C ATOM 680 O CYS A 48 14.868 0.297 -4.200 1.00 0.00 O ATOM 681 CB CYS A 48 13.317 2.051 -5.804 1.00 0.00 C ATOM 682 SG CYS A 48 12.607 3.609 -6.388 1.00 0.00 S ATOM 0 H CYS A 48 13.997 3.911 -4.423 1.00 0.00 H new ATOM 0 HA CYS A 48 12.099 1.917 -3.995 1.00 0.00 H new ATOM 0 HB2 CYS A 48 14.373 1.998 -6.068 1.00 0.00 H new ATOM 0 HB3 CYS A 48 12.824 1.209 -6.290 1.00 0.00 H new ATOM 687 N PRO A 49 13.147 0.071 -2.807 1.00 0.00 N ATOM 688 CA PRO A 49 13.671 -1.172 -2.198 1.00 0.00 C ATOM 689 C PRO A 49 13.390 -2.373 -3.108 1.00 0.00 C ATOM 690 O PRO A 49 12.258 -2.648 -3.454 1.00 0.00 O ATOM 691 CB PRO A 49 12.889 -1.286 -0.894 1.00 0.00 C ATOM 692 CG PRO A 49 11.615 -0.529 -1.124 1.00 0.00 C ATOM 693 CD PRO A 49 11.865 0.478 -2.221 1.00 0.00 C ATOM 0 HA PRO A 49 14.750 -1.153 -2.044 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.687 -2.328 -0.647 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.451 -0.864 -0.061 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.812 -1.210 -1.407 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.299 -0.027 -0.210 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.067 0.463 -2.963 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.914 1.492 -1.825 1.00 0.00 H new ATOM 701 N SER A 50 14.410 -3.090 -3.498 1.00 0.00 N ATOM 702 CA SER A 50 14.192 -4.271 -4.384 1.00 0.00 C ATOM 703 C SER A 50 15.115 -5.422 -3.981 1.00 0.00 C ATOM 704 O SER A 50 16.316 -5.362 -4.154 1.00 0.00 O ATOM 705 CB SER A 50 14.533 -3.787 -5.789 1.00 0.00 C ATOM 706 OG SER A 50 14.221 -2.405 -5.900 1.00 0.00 O ATOM 0 H SER A 50 15.381 -2.910 -3.243 1.00 0.00 H new ATOM 0 HA SER A 50 13.170 -4.645 -4.316 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.591 -3.950 -5.995 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.972 -4.358 -6.529 1.00 0.00 H new ATOM 0 HG SER A 50 14.441 -2.091 -6.802 1.00 0.00 H new ATOM 712 N LYS A 51 14.558 -6.473 -3.449 1.00 0.00 N ATOM 713 CA LYS A 51 15.392 -7.638 -3.037 1.00 0.00 C ATOM 714 C LYS A 51 14.495 -8.818 -2.659 1.00 0.00 C ATOM 715 O LYS A 51 14.599 -9.371 -1.582 1.00 0.00 O ATOM 716 CB LYS A 51 16.182 -7.152 -1.822 1.00 0.00 C ATOM 717 CG LYS A 51 15.232 -6.475 -0.833 1.00 0.00 C ATOM 718 CD LYS A 51 15.718 -5.053 -0.548 1.00 0.00 C ATOM 719 CE LYS A 51 15.725 -4.810 0.963 1.00 0.00 C ATOM 720 NZ LYS A 51 14.319 -4.458 1.303 1.00 0.00 N ATOM 0 H LYS A 51 13.557 -6.577 -3.281 1.00 0.00 H new ATOM 0 HA LYS A 51 16.049 -7.981 -3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 51 16.685 -7.992 -1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 51 16.957 -6.452 -2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 51 14.222 -6.450 -1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.187 -7.047 0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 51 16.719 -4.911 -0.955 1.00 0.00 H new ATOM 0 HD3 LYS A 51 15.068 -4.330 -1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 51 16.051 -5.698 1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.409 -4.005 1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.244 -4.277 2.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 14.038 -3.605 0.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.692 -5.246 1.044 1.00 0.00 H new ATOM 734 N LYS A 52 13.612 -9.207 -3.536 1.00 0.00 N ATOM 735 CA LYS A 52 12.706 -10.348 -3.228 1.00 0.00 C ATOM 736 C LYS A 52 11.937 -10.755 -4.486 1.00 0.00 C ATOM 737 O LYS A 52 10.977 -10.113 -4.864 1.00 0.00 O ATOM 738 CB LYS A 52 11.752 -9.823 -2.157 1.00 0.00 C ATOM 739 CG LYS A 52 12.057 -10.508 -0.822 1.00 0.00 C ATOM 740 CD LYS A 52 12.055 -9.467 0.299 1.00 0.00 C ATOM 741 CE LYS A 52 11.700 -10.145 1.624 1.00 0.00 C ATOM 742 NZ LYS A 52 12.854 -9.861 2.522 1.00 0.00 N ATOM 0 H LYS A 52 13.479 -8.783 -4.454 1.00 0.00 H new ATOM 0 HA LYS A 52 13.248 -11.229 -2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.860 -8.743 -2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.719 -10.015 -2.449 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.313 -11.278 -0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.026 -11.005 -0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.034 -8.993 0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.335 -8.679 0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.772 -9.747 2.035 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.556 -11.217 1.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.685 -10.294 3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.722 -10.257 2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.962 -8.833 2.634 1.00 0.00 H new ATOM 756 N PRO A 53 12.396 -11.811 -5.096 1.00 0.00 N ATOM 757 CA PRO A 53 11.760 -12.327 -6.339 1.00 0.00 C ATOM 758 C PRO A 53 10.330 -12.850 -6.104 1.00 0.00 C ATOM 759 O PRO A 53 9.696 -13.344 -7.015 1.00 0.00 O ATOM 760 CB PRO A 53 12.695 -13.456 -6.768 1.00 0.00 C ATOM 761 CG PRO A 53 13.379 -13.876 -5.511 1.00 0.00 C ATOM 762 CD PRO A 53 13.550 -12.623 -4.699 1.00 0.00 C ATOM 0 HA PRO A 53 11.642 -11.547 -7.092 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.141 -14.282 -7.213 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.412 -13.115 -7.515 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.786 -14.614 -4.971 1.00 0.00 H new ATOM 0 HG3 PRO A 53 14.343 -14.337 -5.726 1.00 0.00 H new ATOM 0 HD2 PRO A 53 13.547 -12.832 -3.629 1.00 0.00 H new ATOM 0 HD3 PRO A 53 14.492 -12.122 -4.923 1.00 0.00 H new ATOM 770 N TYR A 54 9.808 -12.748 -4.910 1.00 0.00 N ATOM 771 CA TYR A 54 8.415 -13.245 -4.668 1.00 0.00 C ATOM 772 C TYR A 54 7.516 -12.096 -4.204 1.00 0.00 C ATOM 773 O TYR A 54 6.336 -12.273 -3.975 1.00 0.00 O ATOM 774 CB TYR A 54 8.507 -14.330 -3.577 1.00 0.00 C ATOM 775 CG TYR A 54 9.796 -14.202 -2.798 1.00 0.00 C ATOM 776 CD1 TYR A 54 11.006 -14.558 -3.398 1.00 0.00 C ATOM 777 CD2 TYR A 54 9.779 -13.724 -1.483 1.00 0.00 C ATOM 778 CE1 TYR A 54 12.201 -14.437 -2.688 1.00 0.00 C ATOM 779 CE2 TYR A 54 10.977 -13.603 -0.769 1.00 0.00 C ATOM 780 CZ TYR A 54 12.190 -13.960 -1.372 1.00 0.00 C ATOM 781 OH TYR A 54 13.372 -13.840 -0.671 1.00 0.00 O ATOM 0 H TYR A 54 10.277 -12.347 -4.098 1.00 0.00 H new ATOM 0 HA TYR A 54 7.982 -13.652 -5.582 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.658 -14.243 -2.899 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.450 -15.318 -4.035 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.017 -14.927 -4.413 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.843 -13.449 -1.020 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.136 -14.712 -3.154 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.966 -13.235 0.246 1.00 0.00 H new ATOM 0 HH TYR A 54 13.186 -13.493 0.227 1.00 0.00 H new ATOM 791 N GLU A 55 8.060 -10.917 -4.068 1.00 0.00 N ATOM 792 CA GLU A 55 7.228 -9.760 -3.626 1.00 0.00 C ATOM 793 C GLU A 55 7.078 -8.752 -4.768 1.00 0.00 C ATOM 794 O GLU A 55 7.557 -8.965 -5.864 1.00 0.00 O ATOM 795 CB GLU A 55 7.994 -9.139 -2.458 1.00 0.00 C ATOM 796 CG GLU A 55 7.595 -9.837 -1.156 1.00 0.00 C ATOM 797 CD GLU A 55 8.626 -9.523 -0.070 1.00 0.00 C ATOM 798 OE1 GLU A 55 8.454 -8.525 0.611 1.00 0.00 O ATOM 799 OE2 GLU A 55 9.569 -10.285 0.062 1.00 0.00 O ATOM 0 H GLU A 55 9.042 -10.705 -4.243 1.00 0.00 H new ATOM 0 HA GLU A 55 6.222 -10.063 -3.335 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.067 -9.236 -2.621 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.777 -8.073 -2.393 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.606 -9.503 -0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.533 -10.914 -1.313 1.00 0.00 H new ATOM 806 N GLU A 56 6.414 -7.655 -4.521 1.00 0.00 N ATOM 807 CA GLU A 56 6.233 -6.638 -5.597 1.00 0.00 C ATOM 808 C GLU A 56 6.151 -5.233 -4.993 1.00 0.00 C ATOM 809 O GLU A 56 5.187 -4.880 -4.344 1.00 0.00 O ATOM 810 CB GLU A 56 4.912 -7.007 -6.272 1.00 0.00 C ATOM 811 CG GLU A 56 5.146 -8.148 -7.265 1.00 0.00 C ATOM 812 CD GLU A 56 4.241 -7.957 -8.484 1.00 0.00 C ATOM 813 OE1 GLU A 56 3.051 -7.767 -8.290 1.00 0.00 O ATOM 814 OE2 GLU A 56 4.753 -8.004 -9.591 1.00 0.00 O ATOM 0 H GLU A 56 5.990 -7.419 -3.624 1.00 0.00 H new ATOM 0 HA GLU A 56 7.065 -6.632 -6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.180 -7.308 -5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.501 -6.140 -6.789 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.191 -8.167 -7.574 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.937 -9.106 -6.790 1.00 0.00 H new ATOM 821 N VAL A 57 7.155 -4.426 -5.207 1.00 0.00 N ATOM 822 CA VAL A 57 7.134 -3.041 -4.651 1.00 0.00 C ATOM 823 C VAL A 57 7.333 -2.024 -5.779 1.00 0.00 C ATOM 824 O VAL A 57 7.737 -2.366 -6.872 1.00 0.00 O ATOM 825 CB VAL A 57 8.297 -2.986 -3.660 1.00 0.00 C ATOM 826 CG1 VAL A 57 9.521 -3.668 -4.267 1.00 0.00 C ATOM 827 CG2 VAL A 57 8.633 -1.526 -3.346 1.00 0.00 C ATOM 0 H VAL A 57 7.989 -4.665 -5.743 1.00 0.00 H new ATOM 0 HA VAL A 57 6.186 -2.802 -4.168 1.00 0.00 H new ATOM 0 HB VAL A 57 8.013 -3.501 -2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.349 -3.628 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.285 -4.708 -4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.805 -3.155 -5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.462 -1.487 -2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.915 -1.012 -4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.762 -1.038 -2.910 1.00 0.00 H new ATOM 837 N THR A 58 7.054 -0.777 -5.521 1.00 0.00 N ATOM 838 CA THR A 58 7.228 0.261 -6.572 1.00 0.00 C ATOM 839 C THR A 58 7.752 1.544 -5.935 1.00 0.00 C ATOM 840 O THR A 58 8.146 1.556 -4.788 1.00 0.00 O ATOM 841 CB THR A 58 5.832 0.476 -7.158 1.00 0.00 C ATOM 842 OG1 THR A 58 5.142 -0.765 -7.203 1.00 0.00 O ATOM 843 CG2 THR A 58 5.952 1.048 -8.572 1.00 0.00 C ATOM 0 H THR A 58 6.712 -0.432 -4.624 1.00 0.00 H new ATOM 0 HA THR A 58 7.941 -0.034 -7.342 1.00 0.00 H new ATOM 0 HB THR A 58 5.279 1.176 -6.532 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.247 -0.628 -7.577 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.956 1.201 -8.988 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.480 2.001 -8.535 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.505 0.350 -9.201 1.00 0.00 H new ATOM 851 N CYS A 59 7.751 2.626 -6.657 1.00 0.00 N ATOM 852 CA CYS A 59 8.244 3.899 -6.066 1.00 0.00 C ATOM 853 C CYS A 59 7.386 5.071 -6.504 1.00 0.00 C ATOM 854 O CYS A 59 6.380 4.926 -7.168 1.00 0.00 O ATOM 855 CB CYS A 59 9.639 4.108 -6.632 1.00 0.00 C ATOM 856 SG CYS A 59 10.879 3.778 -5.357 1.00 0.00 S ATOM 0 H CYS A 59 7.433 2.686 -7.624 1.00 0.00 H new ATOM 0 HA CYS A 59 8.223 3.843 -4.978 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.797 3.448 -7.485 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.743 5.130 -6.997 1.00 0.00 H new ATOM 861 N CYS A 60 7.825 6.241 -6.161 1.00 0.00 N ATOM 862 CA CYS A 60 7.102 7.466 -6.573 1.00 0.00 C ATOM 863 C CYS A 60 7.989 8.692 -6.361 1.00 0.00 C ATOM 864 O CYS A 60 8.801 8.732 -5.460 1.00 0.00 O ATOM 865 CB CYS A 60 5.859 7.548 -5.678 1.00 0.00 C ATOM 866 SG CYS A 60 5.616 9.261 -5.101 1.00 0.00 S ATOM 0 H CYS A 60 8.665 6.403 -5.605 1.00 0.00 H new ATOM 0 HA CYS A 60 6.830 7.436 -7.628 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.981 7.214 -6.230 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.971 6.880 -4.824 1.00 0.00 H new ATOM 871 N SER A 61 7.788 9.711 -7.148 1.00 0.00 N ATOM 872 CA SER A 61 8.579 10.955 -6.970 1.00 0.00 C ATOM 873 C SER A 61 7.647 12.177 -6.933 1.00 0.00 C ATOM 874 O SER A 61 8.097 13.305 -6.973 1.00 0.00 O ATOM 875 CB SER A 61 9.501 11.015 -8.186 1.00 0.00 C ATOM 876 OG SER A 61 8.894 11.809 -9.198 1.00 0.00 O ATOM 0 H SER A 61 7.108 9.734 -7.908 1.00 0.00 H new ATOM 0 HA SER A 61 9.140 10.959 -6.035 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.465 11.439 -7.905 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.692 10.010 -8.562 1.00 0.00 H new ATOM 0 HG SER A 61 9.484 11.851 -9.979 1.00 0.00 H new ATOM 882 N THR A 62 6.351 11.971 -6.861 1.00 0.00 N ATOM 883 CA THR A 62 5.417 13.139 -6.827 1.00 0.00 C ATOM 884 C THR A 62 4.409 12.996 -5.679 1.00 0.00 C ATOM 885 O THR A 62 4.413 12.022 -4.954 1.00 0.00 O ATOM 886 CB THR A 62 4.695 13.107 -8.176 1.00 0.00 C ATOM 887 OG1 THR A 62 5.403 12.262 -9.073 1.00 0.00 O ATOM 888 CG2 THR A 62 4.625 14.521 -8.754 1.00 0.00 C ATOM 0 H THR A 62 5.906 11.054 -6.825 1.00 0.00 H new ATOM 0 HA THR A 62 5.946 14.078 -6.663 1.00 0.00 H new ATOM 0 HB THR A 62 3.684 12.723 -8.036 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.940 12.240 -9.936 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.111 14.496 -9.715 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.080 15.168 -8.067 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.635 14.908 -8.893 1.00 0.00 H new ATOM 896 N ASP A 63 3.545 13.964 -5.510 1.00 0.00 N ATOM 897 CA ASP A 63 2.534 13.889 -4.414 1.00 0.00 C ATOM 898 C ASP A 63 1.334 13.048 -4.861 1.00 0.00 C ATOM 899 O ASP A 63 1.149 12.800 -6.035 1.00 0.00 O ATOM 900 CB ASP A 63 2.114 15.338 -4.171 1.00 0.00 C ATOM 901 CG ASP A 63 3.343 16.173 -3.806 1.00 0.00 C ATOM 902 OD1 ASP A 63 3.667 16.232 -2.631 1.00 0.00 O ATOM 903 OD2 ASP A 63 3.939 16.740 -4.708 1.00 0.00 O ATOM 0 H ASP A 63 3.496 14.805 -6.085 1.00 0.00 H new ATOM 0 HA ASP A 63 2.930 13.422 -3.513 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.638 15.744 -5.063 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.378 15.384 -3.368 1.00 0.00 H new ATOM 908 N LYS A 64 0.521 12.604 -3.932 1.00 0.00 N ATOM 909 CA LYS A 64 -0.662 11.769 -4.307 1.00 0.00 C ATOM 910 C LYS A 64 -0.261 10.791 -5.410 1.00 0.00 C ATOM 911 O LYS A 64 -1.037 10.443 -6.278 1.00 0.00 O ATOM 912 CB LYS A 64 -1.712 12.760 -4.811 1.00 0.00 C ATOM 913 CG LYS A 64 -2.170 13.650 -3.655 1.00 0.00 C ATOM 914 CD LYS A 64 -2.727 14.963 -4.209 1.00 0.00 C ATOM 915 CE LYS A 64 -3.047 15.912 -3.052 1.00 0.00 C ATOM 916 NZ LYS A 64 -1.862 16.809 -2.951 1.00 0.00 N ATOM 0 H LYS A 64 0.626 12.784 -2.933 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.044 11.180 -3.473 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.296 13.371 -5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.563 12.223 -5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.933 13.138 -3.069 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.335 13.852 -2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.002 15.423 -4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.626 14.770 -4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.957 16.480 -3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.207 15.363 -2.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.007 17.490 -2.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.012 16.241 -2.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.739 17.323 -3.846 1.00 0.00 H new ATOM 930 N CYS A 65 0.968 10.377 -5.378 1.00 0.00 N ATOM 931 CA CYS A 65 1.503 9.445 -6.411 1.00 0.00 C ATOM 932 C CYS A 65 1.317 7.978 -6.005 1.00 0.00 C ATOM 933 O CYS A 65 1.851 7.088 -6.637 1.00 0.00 O ATOM 934 CB CYS A 65 2.983 9.762 -6.429 1.00 0.00 C ATOM 935 SG CYS A 65 3.643 9.402 -4.789 1.00 0.00 S ATOM 0 H CYS A 65 1.644 10.649 -4.664 1.00 0.00 H new ATOM 0 HA CYS A 65 0.999 9.569 -7.369 1.00 0.00 H new ATOM 0 HB2 CYS A 65 3.492 9.165 -7.185 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.147 10.809 -6.685 1.00 0.00 H new ATOM 940 N ASN A 66 0.597 7.705 -4.953 1.00 0.00 N ATOM 941 CA ASN A 66 0.438 6.280 -4.535 1.00 0.00 C ATOM 942 C ASN A 66 -1.007 5.764 -4.724 1.00 0.00 C ATOM 943 O ASN A 66 -1.473 4.972 -3.930 1.00 0.00 O ATOM 944 CB ASN A 66 0.817 6.273 -3.053 1.00 0.00 C ATOM 945 CG ASN A 66 2.252 5.767 -2.896 1.00 0.00 C ATOM 946 OD1 ASN A 66 2.614 5.245 -1.861 1.00 0.00 O ATOM 947 ND2 ASN A 66 3.096 5.906 -3.885 1.00 0.00 N ATOM 0 H ASN A 66 0.118 8.392 -4.371 1.00 0.00 H new ATOM 0 HA ASN A 66 1.059 5.621 -5.141 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.727 7.277 -2.639 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.132 5.635 -2.494 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.056 5.576 -3.786 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.794 6.344 -4.755 1.00 0.00 H new ATOM 954 N PRO A 67 -1.676 6.212 -5.764 1.00 0.00 N ATOM 955 CA PRO A 67 -3.068 5.754 -6.016 1.00 0.00 C ATOM 956 C PRO A 67 -3.062 4.341 -6.612 1.00 0.00 C ATOM 957 O PRO A 67 -2.731 4.151 -7.765 1.00 0.00 O ATOM 958 CB PRO A 67 -3.596 6.755 -7.037 1.00 0.00 C ATOM 959 CG PRO A 67 -2.382 7.273 -7.741 1.00 0.00 C ATOM 960 CD PRO A 67 -1.223 7.169 -6.782 1.00 0.00 C ATOM 0 HA PRO A 67 -3.673 5.710 -5.110 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.284 6.279 -7.736 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.144 7.562 -6.551 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.186 6.694 -8.644 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.531 8.307 -8.052 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.322 6.818 -7.284 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.985 8.136 -6.340 1.00 0.00 H new ATOM 968 N HIS A 68 -3.419 3.347 -5.843 1.00 0.00 N ATOM 969 CA HIS A 68 -3.416 1.958 -6.389 1.00 0.00 C ATOM 970 C HIS A 68 -4.742 1.636 -7.082 1.00 0.00 C ATOM 971 O HIS A 68 -5.698 2.373 -6.957 1.00 0.00 O ATOM 972 CB HIS A 68 -3.178 1.044 -5.177 1.00 0.00 C ATOM 973 CG HIS A 68 -4.280 1.150 -4.149 1.00 0.00 C ATOM 974 ND1 HIS A 68 -5.245 0.160 -3.987 1.00 0.00 N ATOM 975 CD2 HIS A 68 -4.523 2.066 -3.156 1.00 0.00 C ATOM 976 CE1 HIS A 68 -6.001 0.501 -2.933 1.00 0.00 C ATOM 977 NE2 HIS A 68 -5.607 1.654 -2.390 1.00 0.00 N ATOM 0 H HIS A 68 -3.710 3.435 -4.869 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.645 1.822 -7.147 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.099 0.011 -5.515 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.226 1.302 -4.713 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -5.357 -0.673 -4.565 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.957 2.971 -2.994 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.830 -0.087 -2.568 1.00 0.00 H new ATOM 985 N PRO A 69 -4.754 0.538 -7.800 1.00 0.00 N ATOM 986 CA PRO A 69 -5.982 0.114 -8.509 1.00 0.00 C ATOM 987 C PRO A 69 -6.981 -0.432 -7.491 1.00 0.00 C ATOM 988 O PRO A 69 -7.106 -1.624 -7.298 1.00 0.00 O ATOM 989 CB PRO A 69 -5.499 -0.981 -9.455 1.00 0.00 C ATOM 990 CG PRO A 69 -4.254 -1.516 -8.825 1.00 0.00 C ATOM 991 CD PRO A 69 -3.641 -0.396 -8.023 1.00 0.00 C ATOM 0 HA PRO A 69 -6.484 0.919 -9.045 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -6.250 -1.762 -9.570 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.298 -0.583 -10.450 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -4.483 -2.367 -8.184 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.559 -1.869 -9.587 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -3.231 -0.759 -7.081 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.823 0.080 -8.564 1.00 0.00 H new ATOM 999 N LYS A 70 -7.679 0.444 -6.829 1.00 0.00 N ATOM 1000 CA LYS A 70 -8.664 -0.001 -5.800 1.00 0.00 C ATOM 1001 C LYS A 70 -10.079 0.140 -6.343 1.00 0.00 C ATOM 1002 O LYS A 70 -10.839 -0.807 -6.379 1.00 0.00 O ATOM 1003 CB LYS A 70 -8.502 0.921 -4.572 1.00 0.00 C ATOM 1004 CG LYS A 70 -7.436 2.007 -4.792 1.00 0.00 C ATOM 1005 CD LYS A 70 -8.044 3.191 -5.557 1.00 0.00 C ATOM 1006 CE LYS A 70 -7.357 4.486 -5.120 1.00 0.00 C ATOM 1007 NZ LYS A 70 -7.848 5.517 -6.074 1.00 0.00 N ATOM 0 H LYS A 70 -7.612 1.454 -6.955 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.490 -1.044 -5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.458 1.394 -4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.232 0.321 -3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.046 2.345 -3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.595 1.595 -5.351 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.922 3.046 -6.630 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.115 3.252 -5.364 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.614 4.743 -4.093 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.272 4.392 -5.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.422 6.437 -5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.583 5.248 -7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.883 5.588 -6.006 1.00 0.00 H new ATOM 1021 N GLN A 71 -10.440 1.323 -6.754 1.00 0.00 N ATOM 1022 CA GLN A 71 -11.813 1.546 -7.282 1.00 0.00 C ATOM 1023 C GLN A 71 -11.921 1.075 -8.739 1.00 0.00 C ATOM 1024 O GLN A 71 -12.533 1.727 -9.562 1.00 0.00 O ATOM 1025 CB GLN A 71 -12.018 3.061 -7.202 1.00 0.00 C ATOM 1026 CG GLN A 71 -12.257 3.476 -5.750 1.00 0.00 C ATOM 1027 CD GLN A 71 -11.404 4.705 -5.426 1.00 0.00 C ATOM 1028 OE1 GLN A 71 -10.556 4.648 -4.438 1.00 0.00 O flip ATOM 1029 NE2 GLN A 71 -11.512 5.725 -6.078 1.00 0.00 N flip ATOM 0 H GLN A 71 -9.840 2.148 -6.747 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.562 0.991 -6.717 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.143 3.577 -7.598 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.868 3.355 -7.818 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -13.312 3.700 -5.593 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.002 2.656 -5.079 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.176 5.768 -6.851 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.939 6.538 -5.852 1.00 0.00 H new ATOM 1038 N ARG A 72 -11.336 -0.046 -9.072 1.00 0.00 N ATOM 1039 CA ARG A 72 -11.417 -0.536 -10.478 1.00 0.00 C ATOM 1040 C ARG A 72 -10.793 -1.930 -10.589 1.00 0.00 C ATOM 1041 O ARG A 72 -9.592 -2.066 -10.708 1.00 0.00 O ATOM 1042 CB ARG A 72 -10.616 0.478 -11.297 1.00 0.00 C ATOM 1043 CG ARG A 72 -10.922 0.291 -12.784 1.00 0.00 C ATOM 1044 CD ARG A 72 -11.669 1.519 -13.310 1.00 0.00 C ATOM 1045 NE ARG A 72 -11.911 1.232 -14.751 1.00 0.00 N ATOM 1046 CZ ARG A 72 -11.126 1.746 -15.659 1.00 0.00 C ATOM 1047 NH1 ARG A 72 -9.915 2.115 -15.342 1.00 0.00 N ATOM 1048 NH2 ARG A 72 -11.552 1.890 -16.884 1.00 0.00 N ATOM 0 H ARG A 72 -10.808 -0.641 -8.433 1.00 0.00 H new ATOM 0 HA ARG A 72 -12.446 -0.621 -10.828 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.869 1.492 -10.988 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.549 0.346 -11.115 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.996 0.149 -13.342 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.524 -0.605 -12.932 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.606 1.671 -12.775 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.078 2.426 -13.182 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.690 0.634 -15.029 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.582 2.002 -14.385 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.302 2.516 -16.052 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.498 1.601 -17.132 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.939 2.292 -17.593 1.00 0.00 H new ATOM 1062 N PRO A 73 -11.639 -2.922 -10.547 1.00 0.00 N ATOM 1063 CA PRO A 73 -11.174 -4.327 -10.643 1.00 0.00 C ATOM 1064 C PRO A 73 -10.737 -4.648 -12.075 1.00 0.00 C ATOM 1065 O PRO A 73 -11.548 -4.946 -12.930 1.00 0.00 O ATOM 1066 CB PRO A 73 -12.405 -5.139 -10.252 1.00 0.00 C ATOM 1067 CG PRO A 73 -13.569 -4.252 -10.561 1.00 0.00 C ATOM 1068 CD PRO A 73 -13.096 -2.829 -10.406 1.00 0.00 C ATOM 0 HA PRO A 73 -10.313 -4.539 -10.009 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.458 -6.071 -10.815 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.382 -5.406 -9.196 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.930 -4.430 -11.574 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -14.400 -4.457 -9.886 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.530 -2.179 -11.166 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.378 -2.418 -9.437 1.00 0.00 H new ATOM 1076 N GLY A 74 -9.461 -4.589 -12.344 1.00 0.00 N ATOM 1077 CA GLY A 74 -8.973 -4.891 -13.719 1.00 0.00 C ATOM 1078 C GLY A 74 -8.039 -6.101 -13.678 1.00 0.00 C ATOM 1079 O GLY A 74 -8.541 -7.208 -13.566 1.00 0.00 O ATOM 1080 OXT GLY A 74 -6.839 -5.902 -13.760 1.00 0.00 O ATOM 0 H GLY A 74 -8.735 -4.345 -11.670 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.817 -5.092 -14.379 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.448 -4.027 -14.127 1.00 0.00 H new TER 1084 GLY A 74 ATOM 1085 N MET B 1 -13.059 -3.054 5.334 1.00 0.00 N ATOM 1086 CA MET B 1 -12.183 -1.848 5.367 1.00 0.00 C ATOM 1087 C MET B 1 -10.791 -2.191 4.829 1.00 0.00 C ATOM 1088 O MET B 1 -9.790 -1.930 5.465 1.00 0.00 O ATOM 1089 CB MET B 1 -12.104 -1.454 6.842 1.00 0.00 C ATOM 1090 CG MET B 1 -11.173 -0.250 7.001 1.00 0.00 C ATOM 1091 SD MET B 1 -12.154 1.229 7.355 1.00 0.00 S ATOM 1092 CE MET B 1 -11.111 2.410 6.466 1.00 0.00 C ATOM 0 H1 MET B 1 -14.006 -2.805 5.685 1.00 0.00 H new ATOM 0 H2 MET B 1 -13.133 -3.403 4.357 1.00 0.00 H new ATOM 0 H3 MET B 1 -12.650 -3.797 5.937 1.00 0.00 H new ATOM 0 HA MET B 1 -12.573 -1.039 4.750 1.00 0.00 H new ATOM 0 HB2 MET B 1 -13.098 -1.210 7.218 1.00 0.00 H new ATOM 0 HB3 MET B 1 -11.736 -2.292 7.434 1.00 0.00 H new ATOM 0 HG2 MET B 1 -10.463 -0.430 7.808 1.00 0.00 H new ATOM 0 HG3 MET B 1 -10.591 -0.104 6.091 1.00 0.00 H new ATOM 0 HE1 MET B 1 -11.537 3.409 6.553 1.00 0.00 H new ATOM 0 HE2 MET B 1 -10.109 2.404 6.894 1.00 0.00 H new ATOM 0 HE3 MET B 1 -11.058 2.129 5.414 1.00 0.00 H new ATOM 1104 N ARG B 2 -10.718 -2.773 3.663 1.00 0.00 N ATOM 1105 CA ARG B 2 -9.384 -3.126 3.098 1.00 0.00 C ATOM 1106 C ARG B 2 -9.120 -2.361 1.811 1.00 0.00 C ATOM 1107 O ARG B 2 -9.966 -2.269 0.945 1.00 0.00 O ATOM 1108 CB ARG B 2 -9.447 -4.624 2.775 1.00 0.00 C ATOM 1109 CG ARG B 2 -9.100 -5.434 4.027 1.00 0.00 C ATOM 1110 CD ARG B 2 -7.695 -5.061 4.508 1.00 0.00 C ATOM 1111 NE ARG B 2 -7.196 -6.277 5.209 1.00 0.00 N ATOM 1112 CZ ARG B 2 -6.318 -6.165 6.169 1.00 0.00 C ATOM 1113 NH1 ARG B 2 -5.358 -5.287 6.078 1.00 0.00 N ATOM 1114 NH2 ARG B 2 -6.402 -6.934 7.221 1.00 0.00 N ATOM 0 H ARG B 2 -11.518 -3.018 3.080 1.00 0.00 H new ATOM 0 HA ARG B 2 -8.591 -2.880 3.804 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -10.444 -4.889 2.423 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -8.751 -4.863 1.971 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -9.829 -5.237 4.813 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -9.149 -6.501 3.807 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -7.049 -4.794 3.672 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -7.722 -4.201 5.178 1.00 0.00 H new ATOM 0 HE ARG B 2 -7.541 -7.198 4.939 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -5.292 -4.687 5.256 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -4.673 -5.201 6.829 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -7.153 -7.621 7.292 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -5.717 -6.848 7.972 1.00 0.00 H new ATOM 1128 N TYR B 3 -7.928 -1.874 1.646 1.00 0.00 N ATOM 1129 CA TYR B 3 -7.586 -1.192 0.373 1.00 0.00 C ATOM 1130 C TYR B 3 -6.860 -2.225 -0.445 1.00 0.00 C ATOM 1131 O TYR B 3 -5.827 -1.983 -1.035 1.00 0.00 O ATOM 1132 CB TYR B 3 -6.653 -0.018 0.692 1.00 0.00 C ATOM 1133 CG TYR B 3 -6.708 0.304 2.162 1.00 0.00 C ATOM 1134 CD1 TYR B 3 -7.705 1.147 2.664 1.00 0.00 C ATOM 1135 CD2 TYR B 3 -5.760 -0.256 3.022 1.00 0.00 C ATOM 1136 CE1 TYR B 3 -7.752 1.428 4.032 1.00 0.00 C ATOM 1137 CE2 TYR B 3 -5.804 0.026 4.389 1.00 0.00 C ATOM 1138 CZ TYR B 3 -6.800 0.867 4.895 1.00 0.00 C ATOM 1139 OH TYR B 3 -6.851 1.134 6.246 1.00 0.00 O ATOM 0 H TYR B 3 -7.177 -1.918 2.335 1.00 0.00 H new ATOM 0 HA TYR B 3 -8.458 -0.807 -0.156 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -5.631 -0.267 0.405 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -6.944 0.856 0.109 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -8.436 1.579 1.997 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -4.993 -0.907 2.630 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -8.521 2.077 4.424 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -5.070 -0.405 5.054 1.00 0.00 H new ATOM 0 HH TYR B 3 -6.119 0.666 6.700 1.00 0.00 H new ATOM 1149 N TYR B 4 -7.402 -3.398 -0.444 1.00 0.00 N ATOM 1150 CA TYR B 4 -6.776 -4.503 -1.171 1.00 0.00 C ATOM 1151 C TYR B 4 -6.833 -4.223 -2.656 1.00 0.00 C ATOM 1152 O TYR B 4 -7.046 -3.111 -3.095 1.00 0.00 O ATOM 1153 CB TYR B 4 -7.652 -5.709 -0.841 1.00 0.00 C ATOM 1154 CG TYR B 4 -7.016 -6.528 0.248 1.00 0.00 C ATOM 1155 CD1 TYR B 4 -6.716 -5.945 1.483 1.00 0.00 C ATOM 1156 CD2 TYR B 4 -6.738 -7.877 0.023 1.00 0.00 C ATOM 1157 CE1 TYR B 4 -6.137 -6.716 2.495 1.00 0.00 C ATOM 1158 CE2 TYR B 4 -6.157 -8.647 1.032 1.00 0.00 C ATOM 1159 CZ TYR B 4 -5.856 -8.067 2.271 1.00 0.00 C ATOM 1160 OH TYR B 4 -5.284 -8.825 3.271 1.00 0.00 O ATOM 0 H TYR B 4 -8.268 -3.636 0.040 1.00 0.00 H new ATOM 0 HA TYR B 4 -5.731 -4.654 -0.900 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -8.640 -5.375 -0.525 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -7.792 -6.321 -1.732 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -6.931 -4.901 1.655 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -6.972 -8.325 -0.931 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -5.907 -6.268 3.450 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -5.939 -9.690 0.857 1.00 0.00 H new ATOM 0 HH TYR B 4 -5.980 -9.343 3.728 1.00 0.00 H new ATOM 1170 N GLU B 5 -6.652 -5.233 -3.421 1.00 0.00 N ATOM 1171 CA GLU B 5 -6.699 -5.062 -4.900 1.00 0.00 C ATOM 1172 C GLU B 5 -8.138 -5.224 -5.399 1.00 0.00 C ATOM 1173 O GLU B 5 -8.482 -6.222 -6.001 1.00 0.00 O ATOM 1174 CB GLU B 5 -5.805 -6.168 -5.460 1.00 0.00 C ATOM 1175 CG GLU B 5 -6.379 -7.534 -5.079 1.00 0.00 C ATOM 1176 CD GLU B 5 -6.695 -8.328 -6.347 1.00 0.00 C ATOM 1177 OE1 GLU B 5 -6.113 -8.021 -7.375 1.00 0.00 O ATOM 1178 OE2 GLU B 5 -7.513 -9.229 -6.270 1.00 0.00 O ATOM 0 H GLU B 5 -6.471 -6.184 -3.098 1.00 0.00 H new ATOM 0 HA GLU B 5 -6.361 -4.075 -5.214 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -5.737 -6.080 -6.544 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -4.793 -6.065 -5.068 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -5.665 -8.081 -4.463 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -7.282 -7.407 -4.483 1.00 0.00 H new ATOM 1185 N SER B 6 -8.989 -4.256 -5.158 1.00 0.00 N ATOM 1186 CA SER B 6 -10.398 -4.392 -5.634 1.00 0.00 C ATOM 1187 C SER B 6 -11.292 -3.213 -5.202 1.00 0.00 C ATOM 1188 O SER B 6 -12.369 -3.039 -5.735 1.00 0.00 O ATOM 1189 CB SER B 6 -10.896 -5.689 -4.998 1.00 0.00 C ATOM 1190 OG SER B 6 -10.281 -5.854 -3.727 1.00 0.00 O ATOM 0 H SER B 6 -8.773 -3.392 -4.661 1.00 0.00 H new ATOM 0 HA SER B 6 -10.438 -4.400 -6.723 1.00 0.00 H new ATOM 0 HB2 SER B 6 -11.980 -5.662 -4.890 1.00 0.00 H new ATOM 0 HB3 SER B 6 -10.661 -6.537 -5.641 1.00 0.00 H new ATOM 0 HG SER B 6 -10.599 -6.684 -3.315 1.00 0.00 H new ATOM 1196 N SER B 7 -10.886 -2.402 -4.252 1.00 0.00 N ATOM 1197 CA SER B 7 -11.779 -1.262 -3.841 1.00 0.00 C ATOM 1198 C SER B 7 -11.263 -0.546 -2.585 1.00 0.00 C ATOM 1199 O SER B 7 -10.326 -0.977 -1.945 1.00 0.00 O ATOM 1200 CB SER B 7 -13.139 -1.903 -3.559 1.00 0.00 C ATOM 1201 OG SER B 7 -13.981 -1.740 -4.693 1.00 0.00 O ATOM 0 H SER B 7 -9.999 -2.473 -3.753 1.00 0.00 H new ATOM 0 HA SER B 7 -11.822 -0.502 -4.622 1.00 0.00 H new ATOM 0 HB2 SER B 7 -13.015 -2.962 -3.334 1.00 0.00 H new ATOM 0 HB3 SER B 7 -13.596 -1.442 -2.683 1.00 0.00 H new ATOM 0 HG SER B 7 -13.662 -2.311 -5.422 1.00 0.00 H new ATOM 1207 N LEU B 8 -11.889 0.554 -2.239 1.00 0.00 N ATOM 1208 CA LEU B 8 -11.472 1.338 -1.033 1.00 0.00 C ATOM 1209 C LEU B 8 -12.692 1.691 -0.187 1.00 0.00 C ATOM 1210 O LEU B 8 -12.604 2.424 0.778 1.00 0.00 O ATOM 1211 CB LEU B 8 -10.863 2.619 -1.605 1.00 0.00 C ATOM 1212 CG LEU B 8 -9.353 2.669 -1.357 1.00 0.00 C ATOM 1213 CD1 LEU B 8 -8.757 1.276 -1.478 1.00 0.00 C ATOM 1214 CD2 LEU B 8 -8.710 3.561 -2.407 1.00 0.00 C ATOM 0 H LEU B 8 -12.681 0.946 -2.748 1.00 0.00 H new ATOM 0 HA LEU B 8 -10.781 0.784 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -11.061 2.673 -2.676 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -11.339 3.487 -1.149 1.00 0.00 H new ATOM 0 HG LEU B 8 -9.169 3.058 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -7.683 1.323 -1.300 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -9.218 0.618 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -8.942 0.887 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -7.634 3.603 -2.239 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -8.907 3.155 -3.399 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -9.128 4.565 -2.337 1.00 0.00 H new ATOM 1226 N LYS B 9 -13.828 1.185 -0.551 1.00 0.00 N ATOM 1227 CA LYS B 9 -15.067 1.506 0.230 1.00 0.00 C ATOM 1228 C LYS B 9 -15.322 0.430 1.277 1.00 0.00 C ATOM 1229 O LYS B 9 -16.441 0.006 1.466 1.00 0.00 O ATOM 1230 CB LYS B 9 -16.264 1.542 -0.749 1.00 0.00 C ATOM 1231 CG LYS B 9 -15.849 1.180 -2.184 1.00 0.00 C ATOM 1232 CD LYS B 9 -17.078 1.131 -3.103 1.00 0.00 C ATOM 1233 CE LYS B 9 -18.298 0.589 -2.347 1.00 0.00 C ATOM 1234 NZ LYS B 9 -17.930 -0.803 -1.961 1.00 0.00 N ATOM 0 H LYS B 9 -13.963 0.565 -1.350 1.00 0.00 H new ATOM 0 HA LYS B 9 -14.944 2.467 0.729 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -17.032 0.847 -0.408 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -16.709 2.537 -0.741 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -15.136 1.914 -2.559 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -15.344 0.214 -2.190 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -17.294 2.129 -3.484 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -16.868 0.499 -3.966 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -18.519 1.196 -1.469 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -19.188 0.601 -2.976 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -18.634 -1.467 -2.343 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -16.992 -1.034 -2.346 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -17.907 -0.881 -0.924 1.00 0.00 H new ATOM 1248 N SER B 10 -14.302 -0.010 1.958 1.00 0.00 N ATOM 1249 CA SER B 10 -14.500 -1.067 2.999 1.00 0.00 C ATOM 1250 C SER B 10 -15.473 -2.138 2.486 1.00 0.00 C ATOM 1251 O SER B 10 -16.676 -1.969 2.516 1.00 0.00 O ATOM 1252 CB SER B 10 -15.090 -0.329 4.202 1.00 0.00 C ATOM 1253 OG SER B 10 -16.280 -0.984 4.623 1.00 0.00 O ATOM 0 H SER B 10 -13.341 0.312 1.843 1.00 0.00 H new ATOM 0 HA SER B 10 -13.573 -1.580 3.253 1.00 0.00 H new ATOM 0 HB2 SER B 10 -14.367 -0.305 5.018 1.00 0.00 H new ATOM 0 HB3 SER B 10 -15.306 0.706 3.937 1.00 0.00 H new ATOM 0 HG SER B 10 -16.910 -1.032 3.874 1.00 0.00 H new ATOM 1259 N TYR B 11 -14.967 -3.244 2.018 1.00 0.00 N ATOM 1260 CA TYR B 11 -15.882 -4.309 1.498 1.00 0.00 C ATOM 1261 C TYR B 11 -16.677 -4.925 2.652 1.00 0.00 C ATOM 1262 O TYR B 11 -16.152 -5.138 3.727 1.00 0.00 O ATOM 1263 CB TYR B 11 -14.997 -5.383 0.841 1.00 0.00 C ATOM 1264 CG TYR B 11 -13.722 -4.785 0.288 1.00 0.00 C ATOM 1265 CD1 TYR B 11 -13.734 -3.526 -0.331 1.00 0.00 C ATOM 1266 CD2 TYR B 11 -12.520 -5.493 0.408 1.00 0.00 C ATOM 1267 CE1 TYR B 11 -12.541 -2.984 -0.828 1.00 0.00 C ATOM 1268 CE2 TYR B 11 -11.333 -4.951 -0.090 1.00 0.00 C ATOM 1269 CZ TYR B 11 -11.342 -3.698 -0.708 1.00 0.00 C ATOM 1270 OH TYR B 11 -10.168 -3.165 -1.198 1.00 0.00 O ATOM 0 H TYR B 11 -13.971 -3.460 1.971 1.00 0.00 H new ATOM 0 HA TYR B 11 -16.591 -3.895 0.781 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -14.752 -6.153 1.573 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -15.550 -5.871 0.038 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -14.659 -2.977 -0.424 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -12.511 -6.461 0.887 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -12.546 -2.015 -1.304 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -10.408 -5.501 0.003 1.00 0.00 H new ATOM 0 HH TYR B 11 -10.051 -2.256 -0.850 1.00 0.00 H new ATOM 1280 N PRO B 12 -17.927 -5.191 2.382 1.00 0.00 N ATOM 1281 CA PRO B 12 -18.819 -5.791 3.405 1.00 0.00 C ATOM 1282 C PRO B 12 -18.466 -7.265 3.619 1.00 0.00 C ATOM 1283 O PRO B 12 -18.945 -7.902 4.535 1.00 0.00 O ATOM 1284 CB PRO B 12 -20.210 -5.650 2.792 1.00 0.00 C ATOM 1285 CG PRO B 12 -19.978 -5.582 1.317 1.00 0.00 C ATOM 1286 CD PRO B 12 -18.620 -4.960 1.111 1.00 0.00 C ATOM 0 HA PRO B 12 -18.737 -5.313 4.381 1.00 0.00 H new ATOM 0 HB2 PRO B 12 -20.844 -6.497 3.053 1.00 0.00 H new ATOM 0 HB3 PRO B 12 -20.712 -4.753 3.154 1.00 0.00 H new ATOM 0 HG2 PRO B 12 -20.017 -6.577 0.874 1.00 0.00 H new ATOM 0 HG3 PRO B 12 -20.752 -4.987 0.832 1.00 0.00 H new ATOM 0 HD2 PRO B 12 -18.091 -5.423 0.278 1.00 0.00 H new ATOM 0 HD3 PRO B 12 -18.698 -3.896 0.887 1.00 0.00 H new ATOM 1294 N ASP B 13 -17.632 -7.812 2.777 1.00 0.00 N ATOM 1295 CA ASP B 13 -17.250 -9.245 2.930 1.00 0.00 C ATOM 1296 C ASP B 13 -15.870 -9.495 2.316 1.00 0.00 C ATOM 1297 O ASP B 13 -15.171 -10.364 2.811 1.00 0.00 O ATOM 1298 CB ASP B 13 -18.324 -10.022 2.167 1.00 0.00 C ATOM 1299 CG ASP B 13 -19.307 -10.643 3.161 1.00 0.00 C ATOM 1300 OD1 ASP B 13 -19.219 -10.317 4.333 1.00 0.00 O ATOM 1301 OD2 ASP B 13 -20.133 -11.432 2.732 1.00 0.00 O ATOM 1302 OXT ASP B 13 -15.536 -8.813 1.361 1.00 0.00 O ATOM 0 H ASP B 13 -17.199 -7.329 1.990 1.00 0.00 H new ATOM 0 HA ASP B 13 -17.191 -9.547 3.976 1.00 0.00 H new ATOM 0 HB2 ASP B 13 -18.852 -9.357 1.484 1.00 0.00 H new ATOM 0 HB3 ASP B 13 -17.862 -10.801 1.561 1.00 0.00 H new TER 1307 ASP B 13