USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 143 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 THR OG1 : rot 132:sc= -3.77! USER MOD Set 1.2: A 68 HIS :FLIP no HE2:sc= -23.5! C(o=-45!,f=-38!) USER MOD Set 1.3: A 71 GLN :FLIP amide:sc= -10.4! C(o=-50!,f=-38!) USER MOD Set 2.1: A 24 TYR OH : rot -50:sc= -3.62! USER MOD Set 2.2: A 51 LYS NZ :NH3+ -144:sc= 1.24 (180deg=-1.79!) USER MOD Single : A 1 ILE N :NH3+ -151:sc= -7.74! (180deg=-8.56!) USER MOD Single : A 4 HIS : no HE2:sc= -7.07! C(o=-7.1!,f=-9.1!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 8:sc= 0.881 USER MOD Single : A 15 THR OG1 : rot 5:sc= 2.07 USER MOD Single : A 21 ASN :FLIP amide:sc= -0.0995 F(o=-1!,f=-0.099) USER MOD Single : A 26 LYS NZ :NH3+ 157:sc= -1.42! (180deg=-2.06!) USER MOD Single : A 27 MET CE :methyl -157:sc= -0.334 (180deg=-1.67!) USER MOD Single : A 34 SER OG : rot 30:sc= 0.472 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -120:sc= -23.2! (180deg=-26.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 100:sc= -0.595 USER MOD Single : A 58 THR OG1 : rot 39:sc= 0.556 USER MOD Single : A 61 SER OG : rot -67:sc= 0.264 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 156:sc= 0.675! (180deg=0.0996!) USER MOD Single : A 66 ASN : amide:sc= -16.5! C(o=-17!,f=-18!) USER MOD Single : A 70 LYS NZ :NH3+ 142:sc= -3.92! (180deg=-5.09!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 4.836 12.912 -2.061 1.00 0.00 N ATOM 2 CA ILE A 1 4.533 13.304 -3.468 1.00 0.00 C ATOM 3 C ILE A 1 5.042 12.247 -4.491 1.00 0.00 C ATOM 4 O ILE A 1 6.217 12.239 -4.847 1.00 0.00 O ATOM 5 CB ILE A 1 5.146 14.654 -3.799 1.00 0.00 C ATOM 6 CG1 ILE A 1 4.438 15.761 -3.022 1.00 0.00 C ATOM 7 CG2 ILE A 1 5.002 14.947 -5.302 1.00 0.00 C ATOM 8 CD1 ILE A 1 5.235 17.072 -3.131 1.00 0.00 C ATOM 0 H1 ILE A 1 4.117 13.313 -1.426 1.00 0.00 H new ATOM 0 H2 ILE A 1 4.829 11.875 -1.980 1.00 0.00 H new ATOM 0 H3 ILE A 1 5.774 13.274 -1.794 1.00 0.00 H new ATOM 0 HA ILE A 1 3.448 13.366 -3.547 1.00 0.00 H new ATOM 0 HB ILE A 1 6.200 14.624 -3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 1 3.431 15.904 -3.413 1.00 0.00 H new ATOM 0 HG13 ILE A 1 4.336 15.474 -1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 1 5.445 15.917 -5.528 1.00 0.00 H new ATOM 0 HG22 ILE A 1 5.513 14.173 -5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 1 3.946 14.959 -5.571 1.00 0.00 H new ATOM 0 HD11 ILE A 1 4.723 17.857 -2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 1 6.233 16.926 -2.718 1.00 0.00 H new ATOM 0 HD13 ILE A 1 5.314 17.364 -4.178 1.00 0.00 H new ATOM 12 N VAL A 2 4.192 11.298 -4.879 1.00 0.00 N ATOM 13 CA VAL A 2 4.574 10.056 -5.590 1.00 0.00 C ATOM 14 C VAL A 2 3.349 9.170 -5.661 1.00 0.00 C ATOM 15 O VAL A 2 2.496 9.480 -6.422 1.00 0.00 O ATOM 16 CB VAL A 2 5.763 9.281 -4.990 1.00 0.00 C ATOM 17 CG1 VAL A 2 5.839 9.541 -3.506 1.00 0.00 C ATOM 18 CG2 VAL A 2 5.862 7.773 -5.326 1.00 0.00 C ATOM 0 H VAL A 2 3.189 11.363 -4.708 1.00 0.00 H new ATOM 0 HA VAL A 2 4.929 10.356 -6.576 1.00 0.00 H new ATOM 0 HB VAL A 2 6.642 9.681 -5.495 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.680 8.992 -3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.976 10.608 -3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.915 9.211 -3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.742 7.349 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.969 7.261 -4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.945 7.645 -6.405 1.00 0.00 H new ATOM 20 N CYS A 3 3.198 8.164 -4.834 1.00 0.00 N ATOM 21 CA CYS A 3 2.191 7.150 -5.009 1.00 0.00 C ATOM 22 C CYS A 3 0.876 7.848 -4.875 1.00 0.00 C ATOM 23 O CYS A 3 0.740 8.748 -4.090 1.00 0.00 O ATOM 24 CB CYS A 3 2.367 6.259 -3.843 1.00 0.00 C ATOM 25 SG CYS A 3 1.933 6.755 -2.157 1.00 0.00 S ATOM 0 H CYS A 3 3.781 8.026 -4.008 1.00 0.00 H new ATOM 0 HA CYS A 3 2.249 6.612 -5.955 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.800 5.353 -4.056 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.420 5.978 -3.823 1.00 0.00 H new ATOM 27 N HIS A 4 -0.070 7.398 -5.627 1.00 0.00 N ATOM 28 CA HIS A 4 -1.370 8.049 -5.659 1.00 0.00 C ATOM 29 C HIS A 4 -2.489 7.029 -5.508 1.00 0.00 C ATOM 30 O HIS A 4 -3.364 6.935 -6.362 1.00 0.00 O ATOM 31 CB HIS A 4 -1.546 8.858 -6.947 1.00 0.00 C ATOM 32 CG HIS A 4 -0.597 10.042 -7.103 1.00 0.00 C ATOM 33 ND1 HIS A 4 0.396 10.054 -7.962 1.00 0.00 N ATOM 34 CD2 HIS A 4 -0.604 11.230 -6.508 1.00 0.00 C ATOM 35 CE1 HIS A 4 1.024 11.223 -7.891 1.00 0.00 C ATOM 36 NE2 HIS A 4 0.400 11.956 -6.983 1.00 0.00 N ATOM 0 H HIS A 4 0.015 6.583 -6.234 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.421 8.739 -4.817 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -1.412 8.190 -7.798 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.571 9.226 -6.989 1.00 0.00 H new ATOM 0 HD1 HIS A 4 0.646 9.287 -8.586 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -1.312 11.553 -5.759 1.00 0.00 H new ATOM 0 HE1 HIS A 4 1.886 11.521 -8.469 1.00 0.00 H new ATOM 39 N THR A 5 -2.396 6.239 -4.445 1.00 0.00 N ATOM 40 CA THR A 5 -3.343 5.165 -4.168 1.00 0.00 C ATOM 41 C THR A 5 -3.670 5.045 -2.686 1.00 0.00 C ATOM 42 O THR A 5 -4.300 5.954 -2.198 1.00 0.00 O ATOM 43 CB THR A 5 -2.683 3.884 -4.504 1.00 0.00 C ATOM 44 OG1 THR A 5 -3.186 3.371 -5.624 1.00 0.00 O ATOM 45 CG2 THR A 5 -3.822 3.010 -4.507 1.00 0.00 C ATOM 0 H THR A 5 -1.657 6.326 -3.747 1.00 0.00 H new ATOM 0 HA THR A 5 -4.247 5.379 -4.739 1.00 0.00 H new ATOM 0 HB THR A 5 -1.667 3.965 -4.117 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.502 1.996 -4.744 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.292 3.021 -3.524 1.00 0.00 H new ATOM 0 HG23 THR A 5 -4.538 3.349 -5.255 1.00 0.00 H new ATOM 48 N THR A 6 -3.253 3.935 -2.047 1.00 0.00 N ATOM 49 CA THR A 6 -3.695 3.632 -0.698 1.00 0.00 C ATOM 50 C THR A 6 -2.645 4.452 0.013 1.00 0.00 C ATOM 51 O THR A 6 -2.365 5.554 -0.466 1.00 0.00 O ATOM 52 CB THR A 6 -3.662 2.143 -0.319 1.00 0.00 C ATOM 53 OG1 THR A 6 -4.342 1.229 -1.067 1.00 0.00 O ATOM 54 CG2 THR A 6 -3.903 1.746 1.122 1.00 0.00 C ATOM 0 H THR A 6 -2.617 3.247 -2.450 1.00 0.00 H new ATOM 0 HA THR A 6 -4.740 3.854 -0.481 1.00 0.00 H new ATOM 0 HB THR A 6 -2.601 2.087 -0.563 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.756 0.470 -1.269 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.845 0.662 1.215 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.146 2.206 1.758 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.892 2.084 1.432 1.00 0.00 H new ATOM 57 N ALA A 7 -2.300 4.037 1.212 1.00 0.00 N ATOM 58 CA ALA A 7 -1.403 4.732 2.119 1.00 0.00 C ATOM 59 C ALA A 7 -2.162 5.091 3.337 1.00 0.00 C ATOM 60 O ALA A 7 -2.259 6.281 3.531 1.00 0.00 O ATOM 61 CB ALA A 7 -0.651 5.947 1.484 1.00 0.00 C ATOM 0 H ALA A 7 -2.653 3.164 1.603 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.590 4.054 2.378 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.004 6.406 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.047 5.603 0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.377 6.681 1.133 1.00 0.00 H new ATOM 63 N THR A 8 -2.505 4.146 4.204 1.00 0.00 N ATOM 64 CA THR A 8 -3.306 4.486 5.403 1.00 0.00 C ATOM 65 C THR A 8 -4.749 4.589 4.958 1.00 0.00 C ATOM 66 O THR A 8 -5.298 5.695 4.972 1.00 0.00 O ATOM 67 CB THR A 8 -2.893 5.847 6.027 1.00 0.00 C ATOM 68 OG1 THR A 8 -1.571 5.735 6.510 1.00 0.00 O ATOM 69 CG2 THR A 8 -3.774 6.445 7.126 1.00 0.00 C ATOM 0 H THR A 8 -2.256 3.161 4.116 1.00 0.00 H new ATOM 0 HA THR A 8 -3.148 3.716 6.158 1.00 0.00 H new ATOM 0 HB THR A 8 -3.011 6.552 5.205 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.294 6.588 6.906 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.351 7.394 7.456 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.778 6.612 6.737 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.821 5.756 7.969 1.00 0.00 H new ATOM 72 N SER A 9 -5.291 3.450 4.505 1.00 0.00 N ATOM 73 CA SER A 9 -6.708 3.326 4.128 1.00 0.00 C ATOM 74 C SER A 9 -6.901 3.503 2.606 1.00 0.00 C ATOM 75 O SER A 9 -6.010 3.142 1.853 1.00 0.00 O ATOM 76 CB SER A 9 -7.497 4.327 4.986 1.00 0.00 C ATOM 77 OG SER A 9 -7.659 4.148 6.347 1.00 0.00 O ATOM 0 H SER A 9 -4.760 2.587 4.389 1.00 0.00 H new ATOM 0 HA SER A 9 -7.090 2.325 4.329 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.026 5.300 4.849 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.496 4.393 4.555 1.00 0.00 H new ATOM 0 HG SER A 9 -8.187 4.888 6.714 1.00 0.00 H new ATOM 80 N PRO A 10 -8.050 3.997 2.115 1.00 0.00 N ATOM 81 CA PRO A 10 -8.283 4.181 0.688 1.00 0.00 C ATOM 82 C PRO A 10 -7.445 5.324 0.124 1.00 0.00 C ATOM 83 O PRO A 10 -7.193 5.363 -1.079 1.00 0.00 O ATOM 84 CB PRO A 10 -9.791 4.456 0.636 1.00 0.00 C ATOM 85 CG PRO A 10 -10.164 5.211 1.901 1.00 0.00 C ATOM 86 CD PRO A 10 -9.321 4.366 2.791 1.00 0.00 C ATOM 0 HA PRO A 10 -7.992 3.327 0.076 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.043 5.042 -0.248 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.349 3.522 0.569 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.875 6.262 1.888 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.227 5.176 2.138 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.105 4.904 3.714 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.867 3.464 3.068 1.00 0.00 H new ATOM 87 N ILE A 11 -7.107 6.277 0.995 1.00 0.00 N ATOM 88 CA ILE A 11 -6.344 7.470 0.580 1.00 0.00 C ATOM 89 C ILE A 11 -7.083 8.131 -0.556 1.00 0.00 C ATOM 90 O ILE A 11 -8.287 7.938 -0.656 1.00 0.00 O ATOM 91 CB ILE A 11 -4.902 7.068 0.219 1.00 0.00 C ATOM 92 CG1 ILE A 11 -4.314 6.531 1.493 1.00 0.00 C ATOM 93 CG2 ILE A 11 -3.918 8.138 -0.295 1.00 0.00 C ATOM 94 CD1 ILE A 11 -4.402 7.589 2.602 1.00 0.00 C ATOM 0 H ILE A 11 -7.345 6.253 1.987 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.263 8.194 1.391 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.007 6.391 -0.629 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.846 5.630 1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.274 6.248 1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.952 7.676 -0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.308 8.581 -1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.797 8.914 0.461 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.973 7.189 3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.849 8.479 2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.446 7.851 2.773 1.00 0.00 H new ATOM 96 N SER A 12 -6.348 8.832 -1.392 1.00 0.00 N ATOM 97 CA SER A 12 -6.849 9.521 -2.568 1.00 0.00 C ATOM 98 C SER A 12 -5.697 10.138 -3.329 1.00 0.00 C ATOM 99 O SER A 12 -5.876 11.261 -3.792 1.00 0.00 O ATOM 100 CB SER A 12 -7.773 10.641 -2.087 1.00 0.00 C ATOM 101 OG SER A 12 -9.003 10.069 -1.674 1.00 0.00 O ATOM 0 H SER A 12 -5.342 8.944 -1.268 1.00 0.00 H new ATOM 0 HA SER A 12 -7.376 8.823 -3.219 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.312 11.183 -1.261 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.941 11.362 -2.887 1.00 0.00 H new ATOM 0 HG SER A 12 -8.926 9.092 -1.673 1.00 0.00 H new ATOM 104 N ALA A 13 -4.567 9.428 -3.410 1.00 0.00 N ATOM 105 CA ALA A 13 -3.377 9.921 -4.112 1.00 0.00 C ATOM 106 C ALA A 13 -2.340 10.413 -3.143 1.00 0.00 C ATOM 107 O ALA A 13 -1.192 10.200 -3.489 1.00 0.00 O ATOM 108 CB ALA A 13 -3.569 11.014 -5.178 1.00 0.00 C ATOM 0 H ALA A 13 -4.451 8.503 -2.995 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.065 9.031 -4.659 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.603 11.276 -5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.228 10.644 -5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.012 11.897 -4.718 1.00 0.00 H new ATOM 110 N VAL A 14 -2.786 11.022 -2.032 1.00 0.00 N ATOM 111 CA VAL A 14 -1.935 11.542 -0.944 1.00 0.00 C ATOM 112 C VAL A 14 -0.481 11.423 -1.311 1.00 0.00 C ATOM 113 O VAL A 14 0.044 12.456 -1.714 1.00 0.00 O ATOM 114 CB VAL A 14 -2.189 10.838 0.392 1.00 0.00 C ATOM 115 CG1 VAL A 14 -1.111 11.127 1.444 1.00 0.00 C ATOM 116 CG2 VAL A 14 -3.520 11.318 0.959 1.00 0.00 C ATOM 0 H VAL A 14 -3.780 11.172 -1.859 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.199 12.592 -0.816 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.184 9.768 0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.352 10.598 2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.142 10.790 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.072 12.199 1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.710 10.822 1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.482 12.396 1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.321 11.079 0.259 1.00 0.00 H new ATOM 118 N THR A 15 -0.013 10.169 -1.203 1.00 0.00 N ATOM 119 CA THR A 15 1.294 9.758 -1.640 1.00 0.00 C ATOM 120 C THR A 15 2.014 9.479 -0.355 1.00 0.00 C ATOM 121 O THR A 15 3.082 9.994 -0.137 1.00 0.00 O ATOM 122 CB THR A 15 1.919 10.908 -2.403 1.00 0.00 C ATOM 123 OG1 THR A 15 1.470 11.073 -3.719 1.00 0.00 O ATOM 124 CG2 THR A 15 3.286 10.693 -2.509 1.00 0.00 C ATOM 0 H THR A 15 -0.560 9.409 -0.798 1.00 0.00 H new ATOM 0 HA THR A 15 1.310 8.893 -2.302 1.00 0.00 H new ATOM 0 HB THR A 15 1.639 11.794 -1.833 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.749 10.435 -3.901 1.00 0.00 H new ATOM 0 HG21 THR A 15 3.742 11.517 -3.057 1.00 0.00 H new ATOM 0 HG22 THR A 15 3.723 10.634 -1.512 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.467 9.759 -3.041 1.00 0.00 H new ATOM 127 N CYS A 16 1.374 8.967 0.658 1.00 0.00 N ATOM 128 CA CYS A 16 2.066 8.709 1.909 1.00 0.00 C ATOM 129 C CYS A 16 2.328 9.974 2.737 1.00 0.00 C ATOM 130 O CYS A 16 1.347 10.579 3.163 1.00 0.00 O ATOM 131 CB CYS A 16 3.303 7.933 1.444 1.00 0.00 C ATOM 132 SG CYS A 16 4.884 8.458 0.564 1.00 0.00 S ATOM 0 H CYS A 16 0.385 8.719 0.653 1.00 0.00 H new ATOM 0 HA CYS A 16 1.486 8.136 2.632 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.660 7.445 2.351 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.894 7.153 0.802 1.00 0.00 H new ATOM 134 N PRO A 17 3.589 10.347 2.994 1.00 0.00 N ATOM 135 CA PRO A 17 3.948 11.544 3.687 1.00 0.00 C ATOM 136 C PRO A 17 3.731 12.773 2.803 1.00 0.00 C ATOM 137 O PRO A 17 2.778 12.802 2.015 1.00 0.00 O ATOM 138 CB PRO A 17 5.380 11.052 4.025 1.00 0.00 C ATOM 139 CG PRO A 17 5.900 10.308 2.849 1.00 0.00 C ATOM 140 CD PRO A 17 4.757 9.549 3.369 1.00 0.00 C ATOM 0 HA PRO A 17 3.402 11.906 4.558 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.028 11.897 4.258 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.364 10.410 4.906 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.817 10.766 1.864 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.893 9.863 2.911 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.712 8.550 2.934 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.822 9.423 4.450 1.00 0.00 H new ATOM 141 N PRO A 18 4.575 13.793 3.012 1.00 0.00 N ATOM 142 CA PRO A 18 4.452 15.054 2.297 1.00 0.00 C ATOM 143 C PRO A 18 4.901 14.886 0.851 1.00 0.00 C ATOM 144 O PRO A 18 4.240 14.195 0.093 1.00 0.00 O ATOM 145 CB PRO A 18 5.331 15.985 3.147 1.00 0.00 C ATOM 146 CG PRO A 18 6.477 15.132 3.671 1.00 0.00 C ATOM 147 CD PRO A 18 5.648 13.943 4.029 1.00 0.00 C ATOM 0 HA PRO A 18 3.441 15.449 2.196 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.707 16.816 2.550 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.759 16.415 3.969 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.236 14.919 2.919 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.990 15.574 4.525 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.267 13.046 4.062 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.215 14.068 5.021 1.00 0.00 H new ATOM 148 N GLY A 19 6.010 15.549 0.530 1.00 0.00 N ATOM 149 CA GLY A 19 6.644 15.457 -0.769 1.00 0.00 C ATOM 150 C GLY A 19 8.110 15.158 -0.773 1.00 0.00 C ATOM 151 O GLY A 19 8.946 16.042 -0.777 1.00 0.00 O ATOM 0 H GLY A 19 6.494 16.171 1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.136 14.683 -1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.486 16.399 -1.294 1.00 0.00 H new ATOM 153 N GLU A 20 8.359 13.879 -0.754 1.00 0.00 N ATOM 154 CA GLU A 20 9.717 13.341 -0.690 1.00 0.00 C ATOM 155 C GLU A 20 9.976 12.428 -1.876 1.00 0.00 C ATOM 156 O GLU A 20 11.110 11.983 -2.019 1.00 0.00 O ATOM 157 CB GLU A 20 9.929 12.558 0.606 1.00 0.00 C ATOM 158 CG GLU A 20 8.891 11.445 0.725 1.00 0.00 C ATOM 159 CD GLU A 20 7.587 12.058 1.177 1.00 0.00 C ATOM 160 OE1 GLU A 20 7.588 12.354 2.378 1.00 0.00 O ATOM 161 OE2 GLU A 20 6.674 12.286 0.345 1.00 0.00 O ATOM 0 H GLU A 20 7.632 13.164 -0.782 1.00 0.00 H new ATOM 0 HA GLU A 20 10.414 14.179 -0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.932 12.133 0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.853 13.229 1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.762 10.942 -0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.223 10.691 1.438 1.00 0.00 H new ATOM 163 N ASN A 21 8.902 12.095 -2.607 1.00 0.00 N ATOM 164 CA ASN A 21 8.985 11.206 -3.774 1.00 0.00 C ATOM 165 C ASN A 21 9.075 9.782 -3.269 1.00 0.00 C ATOM 166 O ASN A 21 9.594 9.544 -2.180 1.00 0.00 O ATOM 167 CB ASN A 21 10.216 11.488 -4.647 1.00 0.00 C ATOM 168 CG ASN A 21 10.082 12.830 -5.353 1.00 0.00 C ATOM 169 OD1 ASN A 21 8.917 13.023 -5.935 1.00 0.00 O flip ATOM 170 ND2 ASN A 21 10.995 13.639 -5.420 1.00 0.00 N flip ATOM 0 H ASN A 21 7.960 12.431 -2.408 1.00 0.00 H new ATOM 0 HA ASN A 21 8.100 11.373 -4.389 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.114 11.485 -4.029 1.00 0.00 H new ATOM 0 HB3 ASN A 21 10.334 10.694 -5.385 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.881 13.448 -4.953 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.871 14.506 -5.943 1.00 0.00 H new ATOM 174 N LEU A 22 8.516 8.877 -4.064 1.00 0.00 N ATOM 175 CA LEU A 22 8.450 7.450 -3.687 1.00 0.00 C ATOM 176 C LEU A 22 7.407 7.178 -2.592 1.00 0.00 C ATOM 177 O LEU A 22 7.088 7.991 -1.732 1.00 0.00 O ATOM 178 CB LEU A 22 9.812 7.016 -3.180 1.00 0.00 C ATOM 179 CG LEU A 22 10.074 5.585 -3.482 1.00 0.00 C ATOM 180 CD1 LEU A 22 11.542 5.342 -3.789 1.00 0.00 C ATOM 181 CD2 LEU A 22 9.583 4.706 -2.378 1.00 0.00 C ATOM 0 H LEU A 22 8.101 9.093 -4.970 1.00 0.00 H new ATOM 0 HA LEU A 22 8.155 6.888 -4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.585 7.633 -3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.870 7.178 -2.104 1.00 0.00 H new ATOM 0 HG LEU A 22 9.514 5.324 -4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.698 4.285 -4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.836 5.937 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.146 5.629 -2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.787 3.664 -2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.094 4.966 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.509 4.845 -2.252 1.00 0.00 H new ATOM 183 N CYS A 23 6.907 5.965 -2.606 1.00 0.00 N ATOM 184 CA CYS A 23 5.931 5.547 -1.629 1.00 0.00 C ATOM 185 C CYS A 23 6.086 4.089 -1.272 1.00 0.00 C ATOM 186 O CYS A 23 5.911 3.235 -2.137 1.00 0.00 O ATOM 187 CB CYS A 23 4.533 5.742 -2.124 1.00 0.00 C ATOM 188 SG CYS A 23 3.839 7.420 -2.120 1.00 0.00 S ATOM 0 H CYS A 23 7.161 5.248 -3.286 1.00 0.00 H new ATOM 0 HA CYS A 23 6.108 6.168 -0.751 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.488 5.367 -3.146 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.878 5.111 -1.524 1.00 0.00 H new ATOM 190 N TYR A 24 6.439 3.834 -0.020 1.00 0.00 N ATOM 191 CA TYR A 24 6.617 2.450 0.438 1.00 0.00 C ATOM 192 C TYR A 24 5.331 1.589 0.252 1.00 0.00 C ATOM 193 O TYR A 24 4.204 1.784 0.686 1.00 0.00 O ATOM 194 CB TYR A 24 7.198 2.480 1.864 1.00 0.00 C ATOM 195 CG TYR A 24 6.244 2.102 2.987 1.00 0.00 C ATOM 196 CD1 TYR A 24 4.906 2.339 2.886 1.00 0.00 C ATOM 197 CD2 TYR A 24 6.639 1.376 4.058 1.00 0.00 C ATOM 198 CE1 TYR A 24 3.909 1.702 3.576 1.00 0.00 C ATOM 199 CE2 TYR A 24 5.656 0.905 4.912 1.00 0.00 C ATOM 200 CZ TYR A 24 4.308 0.980 4.648 1.00 0.00 C ATOM 201 OH TYR A 24 3.380 0.531 5.508 1.00 0.00 O ATOM 0 H TYR A 24 6.607 4.547 0.690 1.00 0.00 H new ATOM 0 HA TYR A 24 7.340 1.930 -0.191 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.053 1.805 1.900 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.576 3.484 2.059 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.601 3.107 2.191 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.684 1.171 4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.872 1.772 3.283 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.966 0.451 5.842 1.00 0.00 H new ATOM 0 HH TYR A 24 2.791 1.269 5.768 1.00 0.00 H new ATOM 208 N ARG A 25 5.341 0.622 -0.588 1.00 0.00 N ATOM 209 CA ARG A 25 4.119 -0.189 -0.657 1.00 0.00 C ATOM 210 C ARG A 25 4.268 -1.481 0.082 1.00 0.00 C ATOM 211 O ARG A 25 5.216 -2.179 -0.224 1.00 0.00 O ATOM 212 CB ARG A 25 3.580 -0.200 -2.058 1.00 0.00 C ATOM 213 CG ARG A 25 2.470 -1.242 -2.152 1.00 0.00 C ATOM 214 CD ARG A 25 2.080 -1.431 -3.597 1.00 0.00 C ATOM 215 NE ARG A 25 2.742 -2.595 -4.159 1.00 0.00 N ATOM 216 CZ ARG A 25 2.313 -3.831 -3.963 1.00 0.00 C ATOM 217 NH1 ARG A 25 1.230 -4.076 -3.234 1.00 0.00 N ATOM 218 NH2 ARG A 25 2.992 -4.826 -4.499 1.00 0.00 N ATOM 0 H ARG A 25 6.107 0.360 -1.209 1.00 0.00 H new ATOM 0 HA ARG A 25 3.302 0.266 -0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.195 0.785 -2.322 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.376 -0.432 -2.766 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.808 -2.188 -1.728 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.606 -0.922 -1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.999 -1.548 -3.675 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.346 -0.543 -4.170 1.00 0.00 H new ATOM 0 HE ARG A 25 3.575 -2.453 -4.730 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.713 -3.304 -2.814 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.915 -5.036 -3.095 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.828 -4.634 -5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.681 -5.788 -4.362 1.00 0.00 H new ATOM 225 N LYS A 26 3.405 -1.713 1.058 1.00 0.00 N ATOM 226 CA LYS A 26 3.476 -2.966 1.821 1.00 0.00 C ATOM 227 C LYS A 26 2.086 -3.441 2.115 1.00 0.00 C ATOM 228 O LYS A 26 1.242 -2.572 2.213 1.00 0.00 O ATOM 229 CB LYS A 26 4.189 -2.736 3.143 1.00 0.00 C ATOM 230 CG LYS A 26 5.667 -2.980 2.941 1.00 0.00 C ATOM 231 CD LYS A 26 6.328 -1.807 2.240 1.00 0.00 C ATOM 232 CE LYS A 26 7.738 -2.137 1.874 1.00 0.00 C ATOM 233 NZ LYS A 26 8.351 -1.225 0.943 1.00 0.00 N ATOM 0 H LYS A 26 2.662 -1.074 1.342 1.00 0.00 H new ATOM 0 HA LYS A 26 4.021 -3.705 1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.018 -1.718 3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.796 -3.407 3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.146 -3.147 3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.811 -3.886 2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.765 -1.549 1.343 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.311 -0.932 2.890 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.338 -2.163 2.784 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.762 -3.140 1.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.385 -1.276 1.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.078 -1.484 -0.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.032 -0.256 1.145 1.00 0.00 H new ATOM 238 N MET A 27 1.920 -4.733 2.358 1.00 0.00 N ATOM 239 CA MET A 27 0.624 -5.386 2.630 1.00 0.00 C ATOM 240 C MET A 27 -0.179 -5.595 1.375 1.00 0.00 C ATOM 241 O MET A 27 0.212 -5.092 0.326 1.00 0.00 O ATOM 242 CB MET A 27 -0.231 -4.582 3.574 1.00 0.00 C ATOM 243 CG MET A 27 0.565 -4.581 4.837 1.00 0.00 C ATOM 244 SD MET A 27 0.465 -6.062 5.854 1.00 0.00 S ATOM 245 CE MET A 27 -1.290 -6.017 6.129 1.00 0.00 C ATOM 0 H MET A 27 2.702 -5.387 2.374 1.00 0.00 H new ATOM 0 HA MET A 27 0.880 -6.346 3.079 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.399 -3.571 3.203 1.00 0.00 H new ATOM 0 HB3 MET A 27 -1.211 -5.037 3.716 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.611 -4.414 4.580 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.245 -3.731 5.440 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.531 -6.573 7.035 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.614 -4.982 6.241 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.803 -6.468 5.280 1.00 0.00 H new ATOM 247 N TRP A 28 -1.257 -6.356 1.538 1.00 0.00 N ATOM 248 CA TRP A 28 -2.132 -6.750 0.418 1.00 0.00 C ATOM 249 C TRP A 28 -3.007 -7.930 0.791 1.00 0.00 C ATOM 250 O TRP A 28 -4.202 -7.966 0.537 1.00 0.00 O ATOM 251 CB TRP A 28 -1.312 -7.078 -0.835 1.00 0.00 C ATOM 252 CG TRP A 28 -2.111 -7.452 -2.060 1.00 0.00 C ATOM 253 CD1 TRP A 28 -2.736 -6.650 -2.913 1.00 0.00 C ATOM 254 CD2 TRP A 28 -2.300 -8.753 -2.467 1.00 0.00 C ATOM 255 NE1 TRP A 28 -3.302 -7.412 -3.857 1.00 0.00 N ATOM 256 CE2 TRP A 28 -3.063 -8.693 -3.613 1.00 0.00 C ATOM 257 CE3 TRP A 28 -1.913 -9.971 -1.941 1.00 0.00 C ATOM 258 CZ2 TRP A 28 -3.464 -9.852 -4.261 1.00 0.00 C ATOM 259 CZ3 TRP A 28 -2.265 -11.130 -2.616 1.00 0.00 C ATOM 260 CH2 TRP A 28 -3.034 -11.076 -3.770 1.00 0.00 C ATOM 0 H TRP A 28 -1.555 -6.720 2.443 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.778 -5.900 0.198 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.692 -6.215 -1.078 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.636 -7.900 -0.600 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.780 -5.572 -2.856 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.839 -7.058 -4.649 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.347 -10.019 -1.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.100 -9.802 -5.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.936 -12.087 -2.239 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.298 -11.987 -4.286 1.00 0.00 H new ATOM 268 N CYS A 29 -2.399 -8.817 1.541 1.00 0.00 N ATOM 269 CA CYS A 29 -3.032 -10.067 1.916 1.00 0.00 C ATOM 270 C CYS A 29 -3.028 -10.050 3.426 1.00 0.00 C ATOM 271 O CYS A 29 -2.450 -10.979 3.972 1.00 0.00 O ATOM 272 CB CYS A 29 -2.250 -11.272 1.363 1.00 0.00 C ATOM 273 SG CYS A 29 -3.151 -12.791 1.746 1.00 0.00 S ATOM 0 H CYS A 29 -1.455 -8.698 1.909 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.039 -10.163 1.510 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.121 -11.173 0.285 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.253 -11.306 1.802 1.00 0.00 H new ATOM 275 N ASP A 30 -3.623 -8.999 4.017 1.00 0.00 N ATOM 276 CA ASP A 30 -3.794 -8.861 5.483 1.00 0.00 C ATOM 277 C ASP A 30 -2.803 -9.735 6.265 1.00 0.00 C ATOM 278 O ASP A 30 -1.694 -9.297 6.556 1.00 0.00 O ATOM 279 CB ASP A 30 -5.249 -9.194 5.859 1.00 0.00 C ATOM 280 CG ASP A 30 -5.746 -10.472 5.165 1.00 0.00 C ATOM 281 OD1 ASP A 30 -5.881 -10.469 3.927 1.00 0.00 O ATOM 282 OD2 ASP A 30 -5.859 -11.492 5.861 1.00 0.00 O ATOM 0 H ASP A 30 -4.003 -8.213 3.491 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.577 -7.829 5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.325 -9.315 6.940 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.894 -8.359 5.586 1.00 0.00 H new ATOM 284 N ALA A 31 -3.160 -11.015 6.383 1.00 0.00 N ATOM 285 CA ALA A 31 -2.286 -12.058 6.926 1.00 0.00 C ATOM 286 C ALA A 31 -3.010 -13.406 6.968 1.00 0.00 C ATOM 287 O ALA A 31 -2.477 -14.406 7.430 1.00 0.00 O ATOM 288 CB ALA A 31 -1.936 -11.650 8.350 1.00 0.00 C ATOM 0 H ALA A 31 -4.077 -11.362 6.100 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.400 -12.163 6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.284 -12.402 8.794 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.424 -10.688 8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.849 -11.568 8.940 1.00 0.00 H new ATOM 290 N PHE A 32 -4.249 -13.403 6.507 1.00 0.00 N ATOM 291 CA PHE A 32 -5.103 -14.585 6.498 1.00 0.00 C ATOM 292 C PHE A 32 -5.319 -15.096 5.094 1.00 0.00 C ATOM 293 O PHE A 32 -5.918 -16.164 4.978 1.00 0.00 O ATOM 294 CB PHE A 32 -6.447 -14.276 7.154 1.00 0.00 C ATOM 295 CG PHE A 32 -6.239 -14.136 8.656 1.00 0.00 C ATOM 296 CD1 PHE A 32 -6.091 -15.280 9.430 1.00 0.00 C ATOM 297 CD2 PHE A 32 -6.201 -12.875 9.238 1.00 0.00 C ATOM 298 CE1 PHE A 32 -5.897 -15.163 10.799 1.00 0.00 C ATOM 299 CE2 PHE A 32 -6.013 -12.761 10.610 1.00 0.00 C ATOM 300 CZ PHE A 32 -5.859 -13.904 11.389 1.00 0.00 C ATOM 0 H PHE A 32 -4.698 -12.572 6.123 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.598 -15.364 7.069 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.865 -13.357 6.744 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.161 -15.072 6.944 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.127 -16.256 8.968 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.317 -11.991 8.629 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.776 -16.048 11.406 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.986 -11.785 11.072 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.710 -13.813 12.455 1.00 0.00 H new ATOM 307 N CYS A 33 -4.903 -14.302 4.093 1.00 0.00 N ATOM 308 CA CYS A 33 -5.059 -14.679 2.677 1.00 0.00 C ATOM 309 C CYS A 33 -6.369 -15.436 2.462 1.00 0.00 C ATOM 310 O CYS A 33 -6.398 -16.497 1.846 1.00 0.00 O ATOM 311 CB CYS A 33 -3.843 -15.502 2.188 1.00 0.00 C ATOM 312 SG CYS A 33 -2.256 -14.603 1.977 1.00 0.00 S ATOM 0 H CYS A 33 -4.457 -13.396 4.237 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.100 -13.767 2.081 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.679 -16.316 2.894 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.104 -15.956 1.232 1.00 0.00 H new ATOM 314 N SER A 34 -7.397 -14.955 3.163 1.00 0.00 N ATOM 315 CA SER A 34 -8.678 -15.662 3.196 1.00 0.00 C ATOM 316 C SER A 34 -9.541 -15.124 2.076 1.00 0.00 C ATOM 317 O SER A 34 -10.759 -15.121 2.242 1.00 0.00 O ATOM 318 CB SER A 34 -9.398 -15.446 4.531 1.00 0.00 C ATOM 319 OG SER A 34 -8.755 -16.198 5.552 1.00 0.00 O ATOM 0 H SER A 34 -7.370 -14.093 3.707 1.00 0.00 H new ATOM 0 HA SER A 34 -8.498 -16.730 3.078 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.394 -14.387 4.789 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.441 -15.750 4.445 1.00 0.00 H new ATOM 0 HG SER A 34 -7.803 -16.292 5.339 1.00 0.00 H new ATOM 322 N SER A 35 -8.881 -14.689 0.994 1.00 0.00 N ATOM 323 CA SER A 35 -9.528 -14.089 -0.188 1.00 0.00 C ATOM 324 C SER A 35 -9.530 -12.568 -0.065 1.00 0.00 C ATOM 325 O SER A 35 -8.964 -11.992 0.869 1.00 0.00 O ATOM 326 CB SER A 35 -10.968 -14.584 -0.428 1.00 0.00 C ATOM 327 OG SER A 35 -10.936 -15.994 -0.625 1.00 0.00 O ATOM 0 H SER A 35 -7.866 -14.744 0.911 1.00 0.00 H new ATOM 0 HA SER A 35 -8.939 -14.408 -1.048 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.601 -14.335 0.424 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.398 -14.090 -1.299 1.00 0.00 H new ATOM 0 HG SER A 35 -11.846 -16.324 -0.777 1.00 0.00 H new ATOM 330 N ARG A 36 -10.218 -11.942 -1.019 1.00 0.00 N ATOM 331 CA ARG A 36 -10.350 -10.476 -1.067 1.00 0.00 C ATOM 332 C ARG A 36 -8.951 -9.842 -1.181 1.00 0.00 C ATOM 333 O ARG A 36 -8.106 -10.321 -1.935 1.00 0.00 O ATOM 334 CB ARG A 36 -11.097 -9.998 0.190 1.00 0.00 C ATOM 335 CG ARG A 36 -12.399 -10.754 0.392 1.00 0.00 C ATOM 336 CD ARG A 36 -13.055 -10.216 1.646 1.00 0.00 C ATOM 337 NE ARG A 36 -14.248 -11.007 1.957 1.00 0.00 N ATOM 338 CZ ARG A 36 -14.998 -10.822 3.039 1.00 0.00 C ATOM 339 NH1 ARG A 36 -14.739 -9.849 3.907 1.00 0.00 N ATOM 340 NH2 ARG A 36 -16.027 -11.627 3.253 1.00 0.00 N ATOM 0 H ARG A 36 -10.698 -12.427 -1.777 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.926 -10.169 -1.940 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.460 -10.131 1.064 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.305 -8.931 0.106 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.055 -10.623 -0.469 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.209 -11.823 0.488 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.354 -10.254 2.480 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.327 -9.170 1.506 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.519 -11.743 1.305 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.949 -9.223 3.751 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.330 -9.729 4.729 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.235 -12.376 2.592 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.612 -11.498 4.078 1.00 0.00 H new ATOM 347 N GLY A 37 -8.726 -8.814 -0.359 1.00 0.00 N ATOM 348 CA GLY A 37 -7.450 -8.092 -0.332 1.00 0.00 C ATOM 349 C GLY A 37 -7.682 -6.603 -0.549 1.00 0.00 C ATOM 350 O GLY A 37 -7.675 -6.101 -1.668 1.00 0.00 O ATOM 0 H GLY A 37 -9.417 -8.460 0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.953 -8.254 0.624 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.788 -8.481 -1.106 1.00 0.00 H new ATOM 352 N LYS A 38 -7.949 -5.939 0.567 1.00 0.00 N ATOM 353 CA LYS A 38 -8.127 -4.479 0.570 1.00 0.00 C ATOM 354 C LYS A 38 -7.531 -3.855 1.842 1.00 0.00 C ATOM 355 O LYS A 38 -7.831 -2.729 2.231 1.00 0.00 O ATOM 356 CB LYS A 38 -9.623 -4.200 0.481 1.00 0.00 C ATOM 357 CG LYS A 38 -9.846 -2.736 0.146 1.00 0.00 C ATOM 358 CD LYS A 38 -11.314 -2.429 0.301 1.00 0.00 C ATOM 359 CE LYS A 38 -11.381 -0.920 0.250 1.00 0.00 C ATOM 360 NZ LYS A 38 -12.765 -0.511 0.169 1.00 0.00 N ATOM 0 H LYS A 38 -8.048 -6.378 1.482 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.605 -4.033 -0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.077 -4.832 -0.282 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.106 -4.445 1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.254 -2.102 0.806 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.521 -2.527 -0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.903 -2.882 -0.497 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.705 -2.814 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.914 -0.493 1.137 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.828 -0.548 -0.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.916 0.030 -0.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.376 -1.353 0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.000 0.084 0.989 1.00 0.00 H new ATOM 365 N VAL A 39 -6.682 -4.630 2.504 1.00 0.00 N ATOM 366 CA VAL A 39 -6.007 -4.184 3.730 1.00 0.00 C ATOM 367 C VAL A 39 -4.498 -4.172 3.481 1.00 0.00 C ATOM 368 O VAL A 39 -3.754 -5.065 3.894 1.00 0.00 O ATOM 369 CB VAL A 39 -6.391 -5.112 4.896 1.00 0.00 C ATOM 370 CG1 VAL A 39 -5.545 -4.854 6.150 1.00 0.00 C ATOM 371 CG2 VAL A 39 -7.852 -4.892 5.289 1.00 0.00 C ATOM 0 H VAL A 39 -6.439 -5.578 2.215 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.319 -3.175 3.999 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.219 -6.129 4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.854 -5.534 6.944 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.493 -5.020 5.920 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.686 -3.824 6.479 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.110 -5.555 6.115 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.994 -3.856 5.597 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.495 -5.108 4.436 1.00 0.00 H new ATOM 373 N VAL A 40 -4.077 -3.121 2.802 1.00 0.00 N ATOM 374 CA VAL A 40 -2.654 -2.943 2.520 1.00 0.00 C ATOM 375 C VAL A 40 -2.099 -1.890 3.499 1.00 0.00 C ATOM 376 O VAL A 40 -2.755 -1.477 4.446 1.00 0.00 O ATOM 377 CB VAL A 40 -2.455 -2.594 1.036 1.00 0.00 C ATOM 378 CG1 VAL A 40 -1.012 -2.609 0.596 1.00 0.00 C ATOM 379 CG2 VAL A 40 -2.837 -3.715 0.109 1.00 0.00 C ATOM 0 H VAL A 40 -4.684 -2.386 2.438 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.090 -3.862 2.680 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.004 -1.654 0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.952 -2.353 -0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.447 -1.881 1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.594 -3.603 0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.673 -3.405 -0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.226 -4.591 0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.889 -3.962 0.251 1.00 0.00 H new ATOM 381 N GLU A 41 -0.886 -1.456 3.237 1.00 0.00 N ATOM 382 CA GLU A 41 -0.141 -0.470 4.017 1.00 0.00 C ATOM 383 C GLU A 41 0.443 0.613 3.169 1.00 0.00 C ATOM 384 O GLU A 41 0.152 1.736 3.546 1.00 0.00 O ATOM 385 CB GLU A 41 1.055 -1.047 4.713 1.00 0.00 C ATOM 386 CG GLU A 41 0.584 -1.833 5.895 1.00 0.00 C ATOM 387 CD GLU A 41 -0.122 -1.140 6.999 1.00 0.00 C ATOM 388 OE1 GLU A 41 -1.349 -0.955 6.875 1.00 0.00 O ATOM 389 OE2 GLU A 41 0.664 -0.873 7.921 1.00 0.00 O ATOM 0 H GLU A 41 -0.357 -1.794 2.433 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.889 -0.101 4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.617 -1.687 4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.728 -0.251 5.031 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.078 -2.615 5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.454 -2.329 6.325 1.00 0.00 H new ATOM 391 N LEU A 42 1.153 0.244 2.082 1.00 0.00 N ATOM 392 CA LEU A 42 1.542 1.204 1.031 1.00 0.00 C ATOM 393 C LEU A 42 1.140 2.641 1.303 1.00 0.00 C ATOM 394 O LEU A 42 0.170 3.174 0.905 1.00 0.00 O ATOM 395 CB LEU A 42 0.974 0.765 -0.299 1.00 0.00 C ATOM 396 CG LEU A 42 -0.487 0.558 -0.544 1.00 0.00 C ATOM 397 CD1 LEU A 42 -1.247 0.415 0.718 1.00 0.00 C ATOM 398 CD2 LEU A 42 -0.893 1.866 -1.024 1.00 0.00 C ATOM 0 H LEU A 42 1.468 -0.711 1.911 1.00 0.00 H new ATOM 0 HA LEU A 42 2.632 1.196 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.307 1.499 -1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.463 -0.177 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.656 -0.313 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.303 0.267 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.871 -0.444 1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.128 1.317 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.960 1.857 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.688 2.614 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.336 2.110 -1.929 1.00 0.00 H new ATOM 400 N GLY A 43 1.866 3.237 2.176 1.00 0.00 N ATOM 401 CA GLY A 43 1.538 4.412 2.932 1.00 0.00 C ATOM 402 C GLY A 43 2.590 5.428 2.805 1.00 0.00 C ATOM 403 O GLY A 43 2.368 6.439 3.450 1.00 0.00 O ATOM 0 H GLY A 43 2.796 2.889 2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.589 4.820 2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.406 4.149 3.981 1.00 0.00 H new ATOM 405 N CYS A 44 3.705 4.972 2.220 1.00 0.00 N ATOM 406 CA CYS A 44 5.052 5.517 2.378 1.00 0.00 C ATOM 407 C CYS A 44 5.177 6.220 3.709 1.00 0.00 C ATOM 408 O CYS A 44 4.370 6.067 4.614 1.00 0.00 O ATOM 409 CB CYS A 44 5.395 6.323 1.164 1.00 0.00 C ATOM 410 SG CYS A 44 6.642 7.617 1.117 1.00 0.00 S ATOM 0 H CYS A 44 3.686 4.170 1.591 1.00 0.00 H new ATOM 0 HA CYS A 44 5.809 4.734 2.425 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.677 5.604 0.395 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.465 6.789 0.839 1.00 0.00 H new ATOM 412 N ALA A 45 6.360 6.714 3.937 1.00 0.00 N ATOM 413 CA ALA A 45 6.661 7.267 5.259 1.00 0.00 C ATOM 414 C ALA A 45 8.085 7.775 5.269 1.00 0.00 C ATOM 415 O ALA A 45 8.730 7.619 6.300 1.00 0.00 O ATOM 416 CB ALA A 45 6.486 6.203 6.373 1.00 0.00 C ATOM 0 H ALA A 45 7.121 6.753 3.259 1.00 0.00 H new ATOM 0 HA ALA A 45 5.964 8.081 5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.718 6.648 7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.457 5.845 6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.161 5.367 6.187 1.00 0.00 H new ATOM 418 N ALA A 46 8.551 8.280 4.115 1.00 0.00 N ATOM 419 CA ALA A 46 9.913 8.837 3.939 1.00 0.00 C ATOM 420 C ALA A 46 10.426 8.456 2.547 1.00 0.00 C ATOM 421 O ALA A 46 10.070 9.065 1.554 1.00 0.00 O ATOM 422 CB ALA A 46 10.969 8.394 4.985 1.00 0.00 C ATOM 0 H ALA A 46 7.990 8.316 3.264 1.00 0.00 H new ATOM 0 HA ALA A 46 9.799 9.912 4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.926 8.863 4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.645 8.697 5.980 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.079 7.310 4.954 1.00 0.00 H new ATOM 424 N THR A 47 11.221 7.401 2.478 1.00 0.00 N ATOM 425 CA THR A 47 11.812 6.937 1.218 1.00 0.00 C ATOM 426 C THR A 47 11.690 5.425 1.137 1.00 0.00 C ATOM 427 O THR A 47 12.671 4.750 0.889 1.00 0.00 O ATOM 428 CB THR A 47 13.281 7.396 1.119 1.00 0.00 C ATOM 429 OG1 THR A 47 13.299 8.812 0.982 1.00 0.00 O ATOM 430 CG2 THR A 47 14.065 6.850 -0.084 1.00 0.00 C ATOM 0 H THR A 47 11.479 6.838 3.288 1.00 0.00 H new ATOM 0 HA THR A 47 11.277 7.372 0.373 1.00 0.00 H new ATOM 0 HB THR A 47 13.757 7.016 2.023 1.00 0.00 H new ATOM 0 HG1 THR A 47 14.226 9.123 0.919 1.00 0.00 H new ATOM 0 HG21 THR A 47 15.085 7.234 -0.058 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.086 5.761 -0.041 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.581 7.167 -1.008 1.00 0.00 H new ATOM 433 N CYS A 48 10.521 4.878 1.457 1.00 0.00 N ATOM 434 CA CYS A 48 10.322 3.410 1.400 1.00 0.00 C ATOM 435 C CYS A 48 11.572 2.695 1.915 1.00 0.00 C ATOM 436 O CYS A 48 12.486 2.361 1.154 1.00 0.00 O ATOM 437 CB CYS A 48 10.088 2.857 -0.001 1.00 0.00 C ATOM 438 SG CYS A 48 9.556 1.121 -0.260 1.00 0.00 S ATOM 0 H CYS A 48 9.702 5.408 1.755 1.00 0.00 H new ATOM 0 HA CYS A 48 9.433 3.232 2.006 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.340 3.493 -0.473 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.017 2.992 -0.556 1.00 0.00 H new ATOM 440 N PRO A 49 11.616 2.524 3.223 1.00 0.00 N ATOM 441 CA PRO A 49 12.769 1.880 3.858 1.00 0.00 C ATOM 442 C PRO A 49 12.840 0.390 3.519 1.00 0.00 C ATOM 443 O PRO A 49 13.562 -0.348 4.187 1.00 0.00 O ATOM 444 CB PRO A 49 12.518 2.135 5.338 1.00 0.00 C ATOM 445 CG PRO A 49 10.995 2.210 5.478 1.00 0.00 C ATOM 446 CD PRO A 49 10.513 2.802 4.162 1.00 0.00 C ATOM 0 HA PRO A 49 13.730 2.270 3.521 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.931 1.334 5.951 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.990 3.062 5.664 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.564 1.223 5.649 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.706 2.835 6.323 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.582 2.340 3.833 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.324 3.872 4.251 1.00 0.00 H new ATOM 447 N SER A 50 12.067 -0.020 2.509 1.00 0.00 N ATOM 448 CA SER A 50 11.970 -1.413 2.056 1.00 0.00 C ATOM 449 C SER A 50 11.186 -2.239 3.053 1.00 0.00 C ATOM 450 O SER A 50 10.250 -2.899 2.645 1.00 0.00 O ATOM 451 CB SER A 50 13.339 -2.076 1.896 1.00 0.00 C ATOM 452 OG SER A 50 14.042 -1.426 0.843 1.00 0.00 O ATOM 0 H SER A 50 11.480 0.618 1.972 1.00 0.00 H new ATOM 0 HA SER A 50 11.472 -1.379 1.087 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.903 -2.006 2.826 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.221 -3.136 1.673 1.00 0.00 H new ATOM 0 HG SER A 50 14.923 -1.842 0.732 1.00 0.00 H new ATOM 455 N LYS A 51 11.543 -2.155 4.333 1.00 0.00 N ATOM 456 CA LYS A 51 10.899 -2.905 5.422 1.00 0.00 C ATOM 457 C LYS A 51 11.354 -4.362 5.354 1.00 0.00 C ATOM 458 O LYS A 51 12.548 -4.648 5.328 1.00 0.00 O ATOM 459 CB LYS A 51 9.377 -2.793 5.321 1.00 0.00 C ATOM 460 CG LYS A 51 8.965 -1.343 5.350 1.00 0.00 C ATOM 461 CD LYS A 51 7.482 -1.376 5.181 1.00 0.00 C ATOM 462 CE LYS A 51 6.679 -1.926 6.349 1.00 0.00 C ATOM 463 NZ LYS A 51 5.243 -1.694 6.143 1.00 0.00 N ATOM 0 H LYS A 51 12.302 -1.554 4.654 1.00 0.00 H new ATOM 0 HA LYS A 51 11.192 -2.486 6.385 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.030 -3.260 4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.909 -3.329 6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.248 -0.868 6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.444 -0.778 4.550 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.139 -0.361 4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.252 -1.972 4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.869 -2.994 6.457 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.001 -1.450 7.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.791 -1.485 7.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.110 -0.889 5.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.810 -2.544 5.729 1.00 0.00 H new ATOM 468 N LYS A 52 10.385 -5.256 5.434 1.00 0.00 N ATOM 469 CA LYS A 52 10.621 -6.683 5.416 1.00 0.00 C ATOM 470 C LYS A 52 9.829 -7.349 4.292 1.00 0.00 C ATOM 471 O LYS A 52 9.031 -6.693 3.626 1.00 0.00 O ATOM 472 CB LYS A 52 10.204 -7.176 6.799 1.00 0.00 C ATOM 473 CG LYS A 52 11.261 -6.791 7.820 1.00 0.00 C ATOM 474 CD LYS A 52 10.920 -7.467 9.135 1.00 0.00 C ATOM 475 CE LYS A 52 11.849 -6.930 10.215 1.00 0.00 C ATOM 476 NZ LYS A 52 11.568 -7.608 11.482 1.00 0.00 N ATOM 0 H LYS A 52 9.400 -5.005 5.514 1.00 0.00 H new ATOM 0 HA LYS A 52 11.663 -6.931 5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.243 -6.743 7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.074 -8.258 6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.249 -7.100 7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.291 -5.709 7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.881 -7.274 9.401 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.031 -8.548 9.044 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.888 -7.089 9.928 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.710 -5.855 10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.202 -7.241 12.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.580 -7.434 11.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.722 -8.630 11.370 1.00 0.00 H new ATOM 481 N PRO A 53 10.056 -8.651 4.127 1.00 0.00 N ATOM 482 CA PRO A 53 9.368 -9.442 3.111 1.00 0.00 C ATOM 483 C PRO A 53 7.918 -9.650 3.526 1.00 0.00 C ATOM 484 O PRO A 53 7.056 -8.926 3.030 1.00 0.00 O ATOM 485 CB PRO A 53 10.200 -10.720 3.039 1.00 0.00 C ATOM 486 CG PRO A 53 10.784 -10.908 4.439 1.00 0.00 C ATOM 487 CD PRO A 53 11.027 -9.481 4.879 1.00 0.00 C ATOM 0 HA PRO A 53 9.300 -8.980 2.126 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.585 -11.573 2.753 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.990 -10.632 2.293 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.092 -11.426 5.103 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.705 -11.491 4.421 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.882 -9.374 5.954 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.051 -9.175 4.664 1.00 0.00 H new ATOM 488 N TYR A 54 7.719 -10.533 4.520 1.00 0.00 N ATOM 489 CA TYR A 54 6.403 -10.934 5.045 1.00 0.00 C ATOM 490 C TYR A 54 5.375 -10.944 3.912 1.00 0.00 C ATOM 491 O TYR A 54 5.786 -10.988 2.768 1.00 0.00 O ATOM 492 CB TYR A 54 6.022 -9.947 6.154 1.00 0.00 C ATOM 493 CG TYR A 54 4.650 -10.271 6.751 1.00 0.00 C ATOM 494 CD1 TYR A 54 4.493 -11.409 7.526 1.00 0.00 C ATOM 495 CD2 TYR A 54 3.543 -9.500 6.403 1.00 0.00 C ATOM 496 CE1 TYR A 54 3.232 -11.771 7.972 1.00 0.00 C ATOM 497 CE2 TYR A 54 2.276 -9.880 6.827 1.00 0.00 C ATOM 498 CZ TYR A 54 2.133 -11.010 7.609 1.00 0.00 C ATOM 499 OH TYR A 54 0.918 -11.340 8.076 1.00 0.00 O ATOM 0 H TYR A 54 8.492 -11.001 4.994 1.00 0.00 H new ATOM 0 HA TYR A 54 6.433 -11.942 5.459 1.00 0.00 H new ATOM 0 HB2 TYR A 54 6.777 -9.973 6.940 1.00 0.00 H new ATOM 0 HB3 TYR A 54 6.015 -8.934 5.753 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.351 -12.012 7.782 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.670 -8.609 5.805 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.107 -12.641 8.599 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.410 -9.297 6.548 1.00 0.00 H new ATOM 0 HH TYR A 54 0.691 -10.762 8.834 1.00 0.00 H new ATOM 506 N GLU A 55 4.094 -10.946 4.243 1.00 0.00 N ATOM 507 CA GLU A 55 2.972 -10.864 3.309 1.00 0.00 C ATOM 508 C GLU A 55 3.415 -10.310 1.944 1.00 0.00 C ATOM 509 O GLU A 55 4.033 -11.000 1.147 1.00 0.00 O ATOM 510 CB GLU A 55 1.871 -9.976 3.898 1.00 0.00 C ATOM 511 CG GLU A 55 0.515 -10.492 3.496 1.00 0.00 C ATOM 512 CD GLU A 55 0.463 -10.427 1.983 1.00 0.00 C ATOM 513 OE1 GLU A 55 0.090 -9.331 1.528 1.00 0.00 O ATOM 514 OE2 GLU A 55 0.799 -11.429 1.322 1.00 0.00 O ATOM 0 H GLU A 55 3.789 -11.008 5.214 1.00 0.00 H new ATOM 0 HA GLU A 55 2.588 -11.872 3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.953 -9.956 4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.996 -8.951 3.550 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.369 -11.514 3.846 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.277 -9.888 3.938 1.00 0.00 H new ATOM 516 N GLU A 56 3.075 -9.061 1.691 1.00 0.00 N ATOM 517 CA GLU A 56 3.421 -8.414 0.432 1.00 0.00 C ATOM 518 C GLU A 56 4.128 -7.122 0.747 1.00 0.00 C ATOM 519 O GLU A 56 3.858 -6.513 1.783 1.00 0.00 O ATOM 520 CB GLU A 56 2.161 -8.134 -0.375 1.00 0.00 C ATOM 521 CG GLU A 56 1.575 -9.435 -0.922 1.00 0.00 C ATOM 522 CD GLU A 56 2.470 -10.053 -1.979 1.00 0.00 C ATOM 523 OE1 GLU A 56 3.384 -10.813 -1.604 1.00 0.00 O ATOM 524 OE2 GLU A 56 2.226 -9.692 -3.146 1.00 0.00 O ATOM 0 H GLU A 56 2.558 -8.469 2.341 1.00 0.00 H new ATOM 0 HA GLU A 56 4.068 -9.063 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.424 -7.632 0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.392 -7.458 -1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.435 -10.143 -0.105 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.591 -9.240 -1.347 1.00 0.00 H new ATOM 526 N VAL A 57 4.945 -6.712 -0.204 1.00 0.00 N ATOM 527 CA VAL A 57 5.759 -5.491 -0.075 1.00 0.00 C ATOM 528 C VAL A 57 6.184 -5.072 -1.484 1.00 0.00 C ATOM 529 O VAL A 57 5.838 -5.715 -2.474 1.00 0.00 O ATOM 530 CB VAL A 57 6.967 -5.859 0.814 1.00 0.00 C ATOM 531 CG1 VAL A 57 8.200 -4.970 0.737 1.00 0.00 C ATOM 532 CG2 VAL A 57 6.604 -5.948 2.289 1.00 0.00 C ATOM 0 H VAL A 57 5.072 -7.204 -1.088 1.00 0.00 H new ATOM 0 HA VAL A 57 5.225 -4.657 0.380 1.00 0.00 H new ATOM 0 HB VAL A 57 7.233 -6.823 0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.965 -5.350 1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.585 -4.970 -0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.934 -3.953 1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.491 -6.210 2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.221 -4.986 2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.840 -6.713 2.430 1.00 0.00 H new ATOM 534 N THR A 58 6.898 -3.960 -1.546 1.00 0.00 N ATOM 535 CA THR A 58 7.500 -3.463 -2.798 1.00 0.00 C ATOM 536 C THR A 58 8.234 -2.159 -2.536 1.00 0.00 C ATOM 537 O THR A 58 8.495 -1.909 -1.403 1.00 0.00 O ATOM 538 CB THR A 58 6.379 -3.265 -3.802 1.00 0.00 C ATOM 539 OG1 THR A 58 6.835 -2.705 -5.020 1.00 0.00 O ATOM 540 CG2 THR A 58 5.445 -2.273 -3.223 1.00 0.00 C ATOM 0 H THR A 58 7.084 -3.368 -0.736 1.00 0.00 H new ATOM 0 HA THR A 58 8.225 -4.176 -3.191 1.00 0.00 H new ATOM 0 HB THR A 58 5.932 -4.239 -4.002 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.705 -3.092 -5.253 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.621 -2.101 -3.916 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.052 -2.651 -2.279 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.973 -1.336 -3.047 1.00 0.00 H new ATOM 543 N CYS A 59 8.355 -1.276 -3.503 1.00 0.00 N ATOM 544 CA CYS A 59 9.033 0.015 -3.413 1.00 0.00 C ATOM 545 C CYS A 59 9.052 0.613 -4.814 1.00 0.00 C ATOM 546 O CYS A 59 9.843 0.226 -5.671 1.00 0.00 O ATOM 547 CB CYS A 59 10.469 -0.162 -2.897 1.00 0.00 C ATOM 548 SG CYS A 59 10.692 -0.367 -1.087 1.00 0.00 S ATOM 0 H CYS A 59 7.963 -1.442 -4.430 1.00 0.00 H new ATOM 0 HA CYS A 59 8.511 0.670 -2.716 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.900 -1.033 -3.391 1.00 0.00 H new ATOM 0 HB3 CYS A 59 11.050 0.704 -3.213 1.00 0.00 H new ATOM 550 N CYS A 60 8.111 1.515 -5.033 1.00 0.00 N ATOM 551 CA CYS A 60 8.043 2.213 -6.327 1.00 0.00 C ATOM 552 C CYS A 60 8.490 3.632 -6.164 1.00 0.00 C ATOM 553 O CYS A 60 9.112 3.857 -5.158 1.00 0.00 O ATOM 554 CB CYS A 60 6.622 2.199 -6.790 1.00 0.00 C ATOM 555 SG CYS A 60 6.392 0.484 -7.391 1.00 0.00 S ATOM 0 H CYS A 60 7.396 1.784 -4.358 1.00 0.00 H new ATOM 0 HA CYS A 60 8.690 1.717 -7.051 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.933 2.437 -5.980 1.00 0.00 H new ATOM 0 HB3 CYS A 60 6.449 2.929 -7.581 1.00 0.00 H new ATOM 557 N SER A 61 8.096 4.529 -7.061 1.00 0.00 N ATOM 558 CA SER A 61 8.489 5.953 -7.039 1.00 0.00 C ATOM 559 C SER A 61 8.486 6.529 -8.451 1.00 0.00 C ATOM 560 O SER A 61 9.413 7.187 -8.918 1.00 0.00 O ATOM 561 CB SER A 61 9.928 6.139 -6.579 1.00 0.00 C ATOM 562 OG SER A 61 10.200 7.507 -6.304 1.00 0.00 O ATOM 0 H SER A 61 7.484 4.293 -7.842 1.00 0.00 H new ATOM 0 HA SER A 61 7.779 6.439 -6.370 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.108 5.541 -5.685 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.610 5.776 -7.348 1.00 0.00 H new ATOM 0 HG SER A 61 10.172 8.020 -7.138 1.00 0.00 H new ATOM 565 N THR A 62 7.420 6.229 -9.168 1.00 0.00 N ATOM 566 CA THR A 62 7.304 6.706 -10.557 1.00 0.00 C ATOM 567 C THR A 62 5.943 7.342 -10.755 1.00 0.00 C ATOM 568 O THR A 62 5.361 7.152 -11.810 1.00 0.00 O ATOM 569 CB THR A 62 7.532 5.559 -11.569 1.00 0.00 C ATOM 570 OG1 THR A 62 8.893 5.167 -11.481 1.00 0.00 O ATOM 571 CG2 THR A 62 7.317 5.866 -13.062 1.00 0.00 C ATOM 0 H THR A 62 6.633 5.672 -8.834 1.00 0.00 H new ATOM 0 HA THR A 62 8.079 7.451 -10.739 1.00 0.00 H new ATOM 0 HB THR A 62 6.784 4.819 -11.287 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.065 4.438 -12.113 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.513 4.969 -13.650 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.288 6.188 -13.223 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.998 6.659 -13.372 1.00 0.00 H new ATOM 574 N ASP A 63 5.418 8.002 -9.726 1.00 0.00 N ATOM 575 CA ASP A 63 4.086 8.636 -9.757 1.00 0.00 C ATOM 576 C ASP A 63 3.157 7.814 -8.890 1.00 0.00 C ATOM 577 O ASP A 63 2.166 8.329 -8.456 1.00 0.00 O ATOM 578 CB ASP A 63 3.435 8.693 -11.145 1.00 0.00 C ATOM 579 CG ASP A 63 2.290 9.603 -11.335 1.00 0.00 C ATOM 580 OD1 ASP A 63 1.205 9.115 -10.971 1.00 0.00 O ATOM 581 OD2 ASP A 63 2.586 10.706 -11.823 1.00 0.00 O ATOM 0 H ASP A 63 5.902 8.118 -8.836 1.00 0.00 H new ATOM 0 HA ASP A 63 4.234 9.661 -9.417 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.205 8.971 -11.864 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.107 7.686 -11.402 1.00 0.00 H new ATOM 583 N LYS A 64 3.374 6.524 -8.750 1.00 0.00 N ATOM 584 CA LYS A 64 2.509 5.659 -7.941 1.00 0.00 C ATOM 585 C LYS A 64 2.956 4.231 -8.148 1.00 0.00 C ATOM 586 O LYS A 64 3.849 4.011 -8.967 1.00 0.00 O ATOM 587 CB LYS A 64 1.079 5.755 -8.425 1.00 0.00 C ATOM 588 CG LYS A 64 0.128 5.142 -7.447 1.00 0.00 C ATOM 589 CD LYS A 64 -1.076 5.340 -8.312 1.00 0.00 C ATOM 590 CE LYS A 64 -2.082 4.704 -7.489 1.00 0.00 C ATOM 591 NZ LYS A 64 -3.528 4.512 -7.704 1.00 0.00 N ATOM 0 H LYS A 64 4.153 6.034 -9.190 1.00 0.00 H new ATOM 0 HA LYS A 64 2.571 5.962 -6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.816 6.801 -8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.985 5.254 -9.388 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.341 4.097 -7.222 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.077 5.669 -6.494 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.290 6.393 -8.493 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.972 4.863 -9.287 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.698 3.697 -7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.019 5.228 -6.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.857 3.698 -7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.040 5.366 -7.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.709 4.336 -8.713 1.00 0.00 H new ATOM 596 N CYS A 65 2.417 3.359 -7.293 1.00 0.00 N ATOM 597 CA CYS A 65 2.609 1.911 -7.363 1.00 0.00 C ATOM 598 C CYS A 65 2.279 1.269 -6.031 1.00 0.00 C ATOM 599 O CYS A 65 3.096 0.652 -5.350 1.00 0.00 O ATOM 600 CB CYS A 65 4.049 1.662 -7.625 1.00 0.00 C ATOM 601 SG CYS A 65 4.503 -0.045 -7.913 1.00 0.00 S ATOM 0 H CYS A 65 1.822 3.647 -6.516 1.00 0.00 H new ATOM 0 HA CYS A 65 1.966 1.498 -8.140 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.348 2.249 -8.493 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.623 2.033 -6.776 1.00 0.00 H new ATOM 603 N ASN A 66 1.091 1.629 -5.609 1.00 0.00 N ATOM 604 CA ASN A 66 0.528 1.089 -4.387 1.00 0.00 C ATOM 605 C ASN A 66 -0.987 1.145 -4.410 1.00 0.00 C ATOM 606 O ASN A 66 -1.595 1.647 -3.496 1.00 0.00 O ATOM 607 CB ASN A 66 1.217 1.867 -3.291 1.00 0.00 C ATOM 608 CG ASN A 66 0.846 3.320 -3.309 1.00 0.00 C ATOM 609 OD1 ASN A 66 0.062 3.930 -2.604 1.00 0.00 O ATOM 610 ND2 ASN A 66 1.388 3.883 -4.327 1.00 0.00 N ATOM 0 H ASN A 66 0.490 2.296 -6.093 1.00 0.00 H new ATOM 0 HA ASN A 66 0.706 0.025 -4.235 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.955 1.439 -2.324 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.297 1.768 -3.401 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.164 4.852 -4.553 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.043 3.362 -4.910 1.00 0.00 H new ATOM 614 N PRO A 67 -1.570 0.671 -5.504 1.00 0.00 N ATOM 615 CA PRO A 67 -2.990 0.591 -5.723 1.00 0.00 C ATOM 616 C PRO A 67 -3.706 -0.313 -4.776 1.00 0.00 C ATOM 617 O PRO A 67 -3.274 -0.448 -3.625 1.00 0.00 O ATOM 618 CB PRO A 67 -3.246 0.582 -7.212 1.00 0.00 C ATOM 619 CG PRO A 67 -2.087 -0.306 -7.606 1.00 0.00 C ATOM 620 CD PRO A 67 -0.947 0.056 -6.670 1.00 0.00 C ATOM 0 HA PRO A 67 -3.531 1.482 -5.405 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.216 0.161 -7.476 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.196 1.574 -7.660 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.352 -1.359 -7.510 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.805 -0.142 -8.646 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.377 -0.829 -6.387 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.251 0.744 -7.150 1.00 0.00 H new ATOM 621 N HIS A 68 -4.807 -0.822 -5.300 1.00 0.00 N ATOM 622 CA HIS A 68 -5.605 -1.805 -4.574 1.00 0.00 C ATOM 623 C HIS A 68 -6.934 -2.006 -5.269 1.00 0.00 C ATOM 624 O HIS A 68 -7.688 -1.050 -5.457 1.00 0.00 O ATOM 625 CB HIS A 68 -5.867 -1.431 -3.103 1.00 0.00 C ATOM 626 CG HIS A 68 -5.779 0.101 -2.926 1.00 0.00 C ATOM 627 ND1 HIS A 68 -6.764 0.913 -2.490 1.00 0.00 N flip ATOM 628 CD2 HIS A 68 -5.552 1.273 -3.461 1.00 0.00 C flip ATOM 629 CE1 HIS A 68 -7.137 2.146 -2.365 1.00 0.00 C flip ATOM 630 NE2 HIS A 68 -6.239 2.400 -3.136 1.00 0.00 N flip ATOM 0 H HIS A 68 -5.171 -0.575 -6.220 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.017 -2.723 -4.572 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -6.852 -1.785 -2.799 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.138 -1.923 -2.458 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -7.505 0.325 -2.110 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.773 1.350 -4.205 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -7.896 2.693 -1.825 1.00 0.00 H new ATOM 633 N PRO A 69 -7.156 -3.252 -5.669 1.00 0.00 N ATOM 634 CA PRO A 69 -8.391 -3.634 -6.366 1.00 0.00 C ATOM 635 C PRO A 69 -9.554 -3.661 -5.377 1.00 0.00 C ATOM 636 O PRO A 69 -9.384 -3.170 -4.267 1.00 0.00 O ATOM 637 CB PRO A 69 -8.048 -5.007 -6.929 1.00 0.00 C ATOM 638 CG PRO A 69 -7.029 -5.601 -5.954 1.00 0.00 C ATOM 639 CD PRO A 69 -6.251 -4.400 -5.439 1.00 0.00 C ATOM 0 HA PRO A 69 -8.708 -2.947 -7.151 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.936 -5.635 -7.001 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -7.631 -4.927 -7.933 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.522 -6.134 -5.140 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.373 -6.315 -6.452 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -6.006 -4.508 -4.382 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.309 -4.277 -5.974 1.00 0.00 H new ATOM 640 N LYS A 70 -10.665 -4.280 -5.786 1.00 0.00 N ATOM 641 CA LYS A 70 -11.861 -4.450 -4.947 1.00 0.00 C ATOM 642 C LYS A 70 -12.278 -3.081 -4.412 1.00 0.00 C ATOM 643 O LYS A 70 -13.010 -2.345 -5.073 1.00 0.00 O ATOM 644 CB LYS A 70 -11.575 -5.439 -3.810 1.00 0.00 C ATOM 645 CG LYS A 70 -12.874 -5.748 -3.074 1.00 0.00 C ATOM 646 CD LYS A 70 -12.569 -6.578 -1.840 1.00 0.00 C ATOM 647 CE LYS A 70 -13.875 -6.907 -1.129 1.00 0.00 C ATOM 648 NZ LYS A 70 -13.578 -7.596 0.128 1.00 0.00 N ATOM 0 H LYS A 70 -10.763 -4.682 -6.718 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.681 -4.864 -5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.143 -6.356 -4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.844 -5.017 -3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.372 -4.822 -2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.557 -6.288 -3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.052 -7.495 -2.122 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.904 -6.030 -1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.436 -5.994 -0.933 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.500 -7.536 -1.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.242 -7.279 0.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.676 -8.622 -0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.605 -7.377 0.422 1.00 0.00 H new ATOM 653 N GLN A 71 -11.749 -2.742 -3.247 1.00 0.00 N ATOM 654 CA GLN A 71 -12.017 -1.428 -2.695 1.00 0.00 C ATOM 655 C GLN A 71 -13.484 -1.356 -2.328 1.00 0.00 C ATOM 656 O GLN A 71 -14.103 -2.375 -2.020 1.00 0.00 O ATOM 657 CB GLN A 71 -11.654 -0.279 -3.635 1.00 0.00 C ATOM 658 CG GLN A 71 -10.183 -0.212 -3.799 1.00 0.00 C ATOM 659 CD GLN A 71 -9.730 0.301 -2.481 1.00 0.00 C ATOM 660 OE1 GLN A 71 -8.636 -0.273 -2.320 1.00 0.00 O flip ATOM 661 NE2 GLN A 71 -10.103 0.812 -1.469 1.00 0.00 N flip ATOM 0 H GLN A 71 -11.148 -3.341 -2.680 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.381 -1.304 -1.819 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.131 -0.425 -4.604 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.028 0.663 -3.234 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.756 -1.190 -4.022 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.896 0.454 -4.613 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.987 1.320 -1.450 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.537 0.741 -0.623 1.00 0.00 H new ATOM 665 N ARG A 72 -13.925 -0.124 -2.132 1.00 0.00 N ATOM 666 CA ARG A 72 -15.304 0.140 -1.749 1.00 0.00 C ATOM 667 C ARG A 72 -15.744 1.437 -2.398 1.00 0.00 C ATOM 668 O ARG A 72 -15.164 2.495 -2.137 1.00 0.00 O ATOM 669 CB ARG A 72 -15.524 0.223 -0.238 1.00 0.00 C ATOM 670 CG ARG A 72 -15.416 -1.149 0.445 1.00 0.00 C ATOM 671 CD ARG A 72 -15.111 -1.000 1.945 1.00 0.00 C ATOM 672 NE ARG A 72 -13.948 -0.182 2.394 1.00 0.00 N ATOM 673 CZ ARG A 72 -13.721 0.137 3.664 1.00 0.00 C ATOM 674 NH1 ARG A 72 -14.578 -0.227 4.610 1.00 0.00 N ATOM 675 NH2 ARG A 72 -12.647 0.843 3.992 1.00 0.00 N ATOM 0 H ARG A 72 -13.348 0.711 -2.232 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.900 -0.705 -2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.790 0.901 0.197 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.508 0.648 -0.039 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.348 -1.698 0.313 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -14.631 -1.735 -0.032 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.001 -0.583 2.416 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -14.976 -2.003 2.349 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.291 0.151 1.688 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.416 -0.754 4.364 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.399 0.020 5.583 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.993 1.142 3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.475 1.087 4.967 1.00 0.00 H new ATOM 682 N PRO A 73 -16.794 1.321 -3.207 1.00 0.00 N ATOM 683 CA PRO A 73 -17.387 2.475 -3.899 1.00 0.00 C ATOM 684 C PRO A 73 -18.198 3.365 -2.940 1.00 0.00 C ATOM 685 O PRO A 73 -19.283 3.842 -3.266 1.00 0.00 O ATOM 686 CB PRO A 73 -18.232 1.813 -4.985 1.00 0.00 C ATOM 687 CG PRO A 73 -18.671 0.475 -4.383 1.00 0.00 C ATOM 688 CD PRO A 73 -17.503 0.057 -3.502 1.00 0.00 C ATOM 0 HA PRO A 73 -16.654 3.168 -4.313 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -19.092 2.429 -5.247 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -17.656 1.665 -5.898 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.588 0.581 -3.803 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -18.868 -0.265 -5.159 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.848 -0.428 -2.589 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -16.853 -0.653 -4.014 1.00 0.00 H new ATOM 689 N GLY A 74 -17.641 3.566 -1.743 1.00 0.00 N ATOM 690 CA GLY A 74 -18.296 4.326 -0.662 1.00 0.00 C ATOM 691 C GLY A 74 -17.820 3.882 0.730 1.00 0.00 C ATOM 692 O GLY A 74 -18.358 4.426 1.715 1.00 0.00 O ATOM 693 OXT GLY A 74 -16.910 3.024 0.781 1.00 99.99 O ATOM 0 H GLY A 74 -16.720 3.207 -1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -18.092 5.389 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -19.376 4.198 -0.733 1.00 0.00 H new TER 695 GLY A 74