USER MOD reduce.3.24.130724 H: found=0, std=0, add=1056, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1054 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 0 SER OG : rot -153:sc= 0.567 USER MOD Set 1.2: A -3 GLY N :NH3+ 168:sc= 0.622 (180deg=0) USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0729) USER MOD Single : A 2 CYS SG : rot 180:sc= -0.165 USER MOD Single : A 3 MET CE :methyl 172:sc= 0 (180deg=-0.0533) USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= 1.24 (180deg=1.14) USER MOD Single : A 9 THR OG1 : rot 170:sc= 0.674 USER MOD Single : A 10 LYS NZ :NH3+ 176:sc= 0.91 (180deg=0.897) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -62:sc= 0.00856 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 1.09 K(o=1.1,f=-0.11) USER MOD Single : A 65 ASN : amide:sc= 0.556 K(o=0.56,f=0) USER MOD Single : B 0 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 171:sc= 0 (180deg=-0.124) USER MOD Single : B 2 CYS SG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl -132:sc= 0 (180deg=-0.0421) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0.732 USER MOD Single : B -3 GLY N :NH3+ -143:sc= 0.0559 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 163:sc= 1.07 (180deg=0.824) USER MOD Single : B 34 THR OG1 : rot 80:sc= 0.201 USER MOD Single : B 35 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 64 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : B 65 ASN : amide:sc= 1.09 K(o=1.1,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 23.211 1.549 0.179 1.00 0.00 N ATOM 2 CA GLY A -3 23.245 2.336 -1.076 1.00 0.00 C ATOM 3 C GLY A -3 22.202 3.455 -1.083 1.00 0.00 C ATOM 4 O GLY A -3 21.510 3.656 -0.081 1.00 0.00 O ATOM 0 H1 GLY A -3 23.782 0.687 0.064 1.00 0.00 H new ATOM 0 H2 GLY A -3 23.598 2.120 0.957 1.00 0.00 H new ATOM 0 H3 GLY A -3 22.229 1.287 0.398 1.00 0.00 H new ATOM 0 HA2 GLY A -3 24.238 2.766 -1.207 1.00 0.00 H new ATOM 0 HA3 GLY A -3 23.071 1.673 -1.924 1.00 0.00 H new ATOM 10 N PRO A -2 22.035 4.178 -2.207 1.00 0.00 N ATOM 11 CA PRO A -2 21.090 5.300 -2.320 1.00 0.00 C ATOM 12 C PRO A -2 19.617 4.863 -2.259 1.00 0.00 C ATOM 13 O PRO A -2 18.773 5.607 -1.758 1.00 0.00 O ATOM 14 CB PRO A -2 21.427 5.979 -3.656 1.00 0.00 C ATOM 15 CG PRO A -2 22.041 4.854 -4.489 1.00 0.00 C ATOM 16 CD PRO A -2 22.781 4.012 -3.450 1.00 0.00 C ATOM 0 HA PRO A -2 21.198 5.979 -1.474 1.00 0.00 H new ATOM 0 HB2 PRO A -2 20.537 6.390 -4.132 1.00 0.00 H new ATOM 0 HB3 PRO A -2 22.126 6.804 -3.521 1.00 0.00 H new ATOM 0 HG2 PRO A -2 21.277 4.274 -5.007 1.00 0.00 H new ATOM 0 HG3 PRO A -2 22.719 5.241 -5.250 1.00 0.00 H new ATOM 0 HD2 PRO A -2 22.817 2.964 -3.748 1.00 0.00 H new ATOM 0 HD3 PRO A -2 23.812 4.347 -3.336 1.00 0.00 H new ATOM 24 N GLY A -1 19.298 3.639 -2.708 1.00 0.00 N ATOM 25 CA GLY A -1 17.962 3.035 -2.609 1.00 0.00 C ATOM 26 C GLY A -1 17.575 2.563 -1.196 1.00 0.00 C ATOM 27 O GLY A -1 16.404 2.279 -0.945 1.00 0.00 O ATOM 0 H GLY A -1 19.978 3.028 -3.160 1.00 0.00 H new ATOM 0 HA2 GLY A -1 17.224 3.760 -2.950 1.00 0.00 H new ATOM 0 HA3 GLY A -1 17.911 2.184 -3.289 1.00 0.00 H new ATOM 31 N SER A 0 18.533 2.486 -0.263 1.00 0.00 N ATOM 32 CA SER A 0 18.334 2.028 1.122 1.00 0.00 C ATOM 33 C SER A 0 17.652 3.065 2.035 1.00 0.00 C ATOM 34 O SER A 0 17.427 2.786 3.214 1.00 0.00 O ATOM 35 CB SER A 0 19.683 1.633 1.739 1.00 0.00 C ATOM 36 OG SER A 0 20.405 0.745 0.893 1.00 0.00 O ATOM 0 H SER A 0 19.500 2.749 -0.456 1.00 0.00 H new ATOM 0 HA SER A 0 17.662 1.173 1.059 1.00 0.00 H new ATOM 0 HB2 SER A 0 20.277 2.529 1.920 1.00 0.00 H new ATOM 0 HB3 SER A 0 19.517 1.160 2.707 1.00 0.00 H new ATOM 0 HG SER A 0 21.003 0.190 1.436 1.00 0.00 H new ATOM 42 N MET A 1 17.345 4.259 1.514 1.00 0.00 N ATOM 43 CA MET A 1 16.658 5.356 2.209 1.00 0.00 C ATOM 44 C MET A 1 15.643 6.062 1.291 1.00 0.00 C ATOM 45 O MET A 1 15.627 5.869 0.071 1.00 0.00 O ATOM 46 CB MET A 1 17.697 6.326 2.813 1.00 0.00 C ATOM 47 CG MET A 1 18.586 7.065 1.787 1.00 0.00 C ATOM 48 SD MET A 1 17.822 8.402 0.810 1.00 0.00 S ATOM 49 CE MET A 1 17.480 9.637 2.096 1.00 0.00 C ATOM 0 H MET A 1 17.580 4.499 0.551 1.00 0.00 H new ATOM 0 HA MET A 1 16.074 4.944 3.032 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.171 7.068 3.414 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.341 5.766 3.491 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.437 7.485 2.322 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.981 6.325 1.091 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.144 10.564 1.630 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.702 9.263 2.762 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.388 9.827 2.669 1.00 0.00 H new ATOM 59 N CYS A 2 14.775 6.884 1.892 1.00 0.00 N ATOM 60 CA CYS A 2 13.771 7.701 1.207 1.00 0.00 C ATOM 61 C CYS A 2 13.420 8.957 2.030 1.00 0.00 C ATOM 62 O CYS A 2 13.548 8.965 3.263 1.00 0.00 O ATOM 63 CB CYS A 2 12.536 6.823 0.933 1.00 0.00 C ATOM 64 SG CYS A 2 11.312 7.672 -0.108 1.00 0.00 S ATOM 0 H CYS A 2 14.753 7.002 2.905 1.00 0.00 H new ATOM 0 HA CYS A 2 14.167 8.062 0.258 1.00 0.00 H new ATOM 0 HB2 CYS A 2 12.849 5.900 0.445 1.00 0.00 H new ATOM 0 HB3 CYS A 2 12.074 6.542 1.879 1.00 0.00 H new ATOM 0 HG CYS A 2 10.295 6.888 -0.309 1.00 0.00 H new ATOM 70 N MET A 3 12.962 10.013 1.357 1.00 0.00 N ATOM 71 CA MET A 3 12.455 11.243 1.978 1.00 0.00 C ATOM 72 C MET A 3 11.195 11.018 2.836 1.00 0.00 C ATOM 73 O MET A 3 10.396 10.111 2.574 1.00 0.00 O ATOM 74 CB MET A 3 12.139 12.284 0.887 1.00 0.00 C ATOM 75 CG MET A 3 13.394 12.932 0.287 1.00 0.00 C ATOM 76 SD MET A 3 14.267 11.975 -0.985 1.00 0.00 S ATOM 77 CE MET A 3 13.110 12.167 -2.372 1.00 0.00 C ATOM 0 H MET A 3 12.931 10.040 0.338 1.00 0.00 H new ATOM 0 HA MET A 3 13.241 11.600 2.644 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.570 11.805 0.091 1.00 0.00 H new ATOM 0 HB3 MET A 3 11.503 13.062 1.310 1.00 0.00 H new ATOM 0 HG2 MET A 3 13.110 13.893 -0.143 1.00 0.00 H new ATOM 0 HG3 MET A 3 14.092 13.139 1.098 1.00 0.00 H new ATOM 0 HE1 MET A 3 13.558 11.760 -3.279 1.00 0.00 H new ATOM 0 HE2 MET A 3 12.186 11.632 -2.152 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.890 13.224 -2.519 1.00 0.00 H new ATOM 87 N ALA A 4 11.004 11.883 3.836 1.00 0.00 N ATOM 88 CA ALA A 4 9.802 11.972 4.665 1.00 0.00 C ATOM 89 C ALA A 4 8.678 12.781 3.982 1.00 0.00 C ATOM 90 O ALA A 4 8.867 13.367 2.908 1.00 0.00 O ATOM 91 CB ALA A 4 10.210 12.606 6.005 1.00 0.00 C ATOM 0 H ALA A 4 11.713 12.568 4.100 1.00 0.00 H new ATOM 0 HA ALA A 4 9.393 10.974 4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.335 12.688 6.650 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.961 11.982 6.489 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.624 13.599 5.827 1.00 0.00 H new ATOM 97 N LYS A 5 7.516 12.877 4.645 1.00 0.00 N ATOM 98 CA LYS A 5 6.476 13.883 4.371 1.00 0.00 C ATOM 99 C LYS A 5 6.120 14.679 5.631 1.00 0.00 C ATOM 100 O LYS A 5 6.185 14.154 6.738 1.00 0.00 O ATOM 101 CB LYS A 5 5.243 13.248 3.704 1.00 0.00 C ATOM 102 CG LYS A 5 4.417 12.315 4.605 1.00 0.00 C ATOM 103 CD LYS A 5 3.121 11.900 3.888 1.00 0.00 C ATOM 104 CE LYS A 5 2.236 11.048 4.803 1.00 0.00 C ATOM 105 NZ LYS A 5 0.901 10.827 4.194 1.00 0.00 N1+ ATOM 0 H LYS A 5 7.266 12.243 5.404 1.00 0.00 H new ATOM 0 HA LYS A 5 6.883 14.599 3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.594 14.046 3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.572 12.685 2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.001 11.430 4.858 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.178 12.819 5.542 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.575 12.789 3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.364 11.339 2.986 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.718 10.088 4.991 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.122 11.542 5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.402 10.078 4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.349 11.707 4.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.016 10.541 3.201 1.00 0.00 H new ATOM 119 N VAL A 6 5.725 15.938 5.460 1.00 0.00 N ATOM 120 CA VAL A 6 5.226 16.830 6.528 1.00 0.00 C ATOM 121 C VAL A 6 3.697 16.888 6.498 1.00 0.00 C ATOM 122 O VAL A 6 3.109 16.889 5.415 1.00 0.00 O ATOM 123 CB VAL A 6 5.860 18.231 6.403 1.00 0.00 C ATOM 124 CG1 VAL A 6 5.236 19.295 7.313 1.00 0.00 C ATOM 125 CG2 VAL A 6 7.353 18.177 6.734 1.00 0.00 C ATOM 0 H VAL A 6 5.740 16.390 4.546 1.00 0.00 H new ATOM 0 HA VAL A 6 5.521 16.427 7.497 1.00 0.00 H new ATOM 0 HB VAL A 6 5.677 18.520 5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.743 20.248 7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.178 19.404 7.073 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.343 18.991 8.354 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.783 19.174 6.640 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.487 17.819 7.755 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.855 17.499 6.043 1.00 0.00 H new ATOM 135 N VAL A 7 3.048 16.981 7.664 1.00 0.00 N ATOM 136 CA VAL A 7 1.598 17.186 7.825 1.00 0.00 C ATOM 137 C VAL A 7 1.287 18.238 8.903 1.00 0.00 C ATOM 138 O VAL A 7 1.940 18.289 9.951 1.00 0.00 O ATOM 139 CB VAL A 7 0.860 15.845 8.063 1.00 0.00 C ATOM 140 CG1 VAL A 7 1.294 15.133 9.350 1.00 0.00 C ATOM 141 CG2 VAL A 7 -0.664 16.020 8.100 1.00 0.00 C ATOM 0 H VAL A 7 3.534 16.913 8.558 1.00 0.00 H new ATOM 0 HA VAL A 7 1.214 17.589 6.888 1.00 0.00 H new ATOM 0 HB VAL A 7 1.141 15.226 7.211 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.738 14.201 9.455 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.361 14.916 9.304 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.091 15.775 10.207 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.137 15.053 8.269 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.932 16.702 8.907 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.006 16.430 7.150 1.00 0.00 H new ATOM 151 N LEU A 8 0.277 19.077 8.643 1.00 0.00 N ATOM 152 CA LEU A 8 -0.190 20.152 9.521 1.00 0.00 C ATOM 153 C LEU A 8 -1.718 20.344 9.432 1.00 0.00 C ATOM 154 O LEU A 8 -2.334 20.012 8.416 1.00 0.00 O ATOM 155 CB LEU A 8 0.572 21.462 9.218 1.00 0.00 C ATOM 156 CG LEU A 8 0.386 22.030 7.797 1.00 0.00 C ATOM 157 CD1 LEU A 8 0.412 23.558 7.799 1.00 0.00 C ATOM 158 CD2 LEU A 8 1.481 21.567 6.831 1.00 0.00 C ATOM 0 H LEU A 8 -0.259 19.021 7.777 1.00 0.00 H new ATOM 0 HA LEU A 8 0.025 19.865 10.550 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.256 22.219 9.936 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.635 21.289 9.384 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.582 21.656 7.465 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.278 23.926 6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.393 23.935 8.430 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.370 23.905 8.187 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.302 21.996 5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.453 21.896 7.198 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.468 20.479 6.761 1.00 0.00 H new ATOM 170 N THR A 9 -2.326 20.895 10.487 1.00 0.00 N ATOM 171 CA THR A 9 -3.785 21.130 10.592 1.00 0.00 C ATOM 172 C THR A 9 -4.108 22.631 10.621 1.00 0.00 C ATOM 173 O THR A 9 -3.472 23.398 11.348 1.00 0.00 O ATOM 174 CB THR A 9 -4.392 20.425 11.821 1.00 0.00 C ATOM 175 OG1 THR A 9 -3.958 19.081 11.897 1.00 0.00 O ATOM 176 CG2 THR A 9 -5.917 20.372 11.770 1.00 0.00 C ATOM 0 H THR A 9 -1.814 21.200 11.315 1.00 0.00 H new ATOM 0 HA THR A 9 -4.240 20.698 9.701 1.00 0.00 H new ATOM 0 HB THR A 9 -4.062 21.009 12.680 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.220 18.701 12.761 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.293 19.865 12.659 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.315 21.386 11.734 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.233 19.827 10.881 1.00 0.00 H new ATOM 184 N LYS A 10 -5.103 23.044 9.830 1.00 0.00 N ATOM 185 CA LYS A 10 -5.575 24.429 9.661 1.00 0.00 C ATOM 186 C LYS A 10 -6.651 24.816 10.683 1.00 0.00 C ATOM 187 O LYS A 10 -7.310 23.955 11.269 1.00 0.00 O ATOM 188 CB LYS A 10 -6.093 24.613 8.224 1.00 0.00 C ATOM 189 CG LYS A 10 -4.977 24.451 7.183 1.00 0.00 C ATOM 190 CD LYS A 10 -5.399 24.841 5.759 1.00 0.00 C ATOM 191 CE LYS A 10 -6.380 23.853 5.109 1.00 0.00 C ATOM 192 NZ LYS A 10 -7.800 24.267 5.260 1.00 0.00 N1+ ATOM 0 H LYS A 10 -5.633 22.387 9.257 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.732 25.096 9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.880 23.885 8.027 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.541 25.602 8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.124 25.062 7.480 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.641 23.414 7.182 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.857 25.830 5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.509 24.918 5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.145 23.759 4.049 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.244 22.867 5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.412 23.602 4.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.057 24.266 6.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.926 25.224 4.872 1.00 0.00 H new ATOM 206 N ALA A 11 -6.872 26.122 10.858 1.00 0.00 N ATOM 207 CA ALA A 11 -7.850 26.693 11.788 1.00 0.00 C ATOM 208 C ALA A 11 -9.320 26.336 11.448 1.00 0.00 C ATOM 209 O ALA A 11 -10.169 26.299 12.343 1.00 0.00 O ATOM 210 CB ALA A 11 -7.644 28.214 11.820 1.00 0.00 C ATOM 0 H ALA A 11 -6.358 26.834 10.339 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.677 26.255 12.771 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.361 28.664 12.506 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.631 28.437 12.156 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.793 28.622 10.820 1.00 0.00 H new ATOM 216 N ASP A 12 -9.632 26.037 10.185 1.00 0.00 N ATOM 217 CA ASP A 12 -10.946 25.543 9.737 1.00 0.00 C ATOM 218 C ASP A 12 -11.147 24.017 9.937 1.00 0.00 C ATOM 219 O ASP A 12 -12.197 23.478 9.572 1.00 0.00 O ATOM 220 CB ASP A 12 -11.183 25.956 8.271 1.00 0.00 C ATOM 221 CG ASP A 12 -10.253 25.305 7.236 1.00 0.00 C ATOM 222 OD1 ASP A 12 -9.361 24.496 7.586 1.00 0.00 O ATOM 223 OD2 ASP A 12 -10.398 25.613 6.029 1.00 0.00 O1- ATOM 0 H ASP A 12 -8.963 26.133 9.421 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.695 26.011 10.375 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.213 25.717 8.008 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.078 27.038 8.196 1.00 0.00 H new ATOM 228 N GLY A 13 -10.156 23.315 10.498 1.00 0.00 N ATOM 229 CA GLY A 13 -10.166 21.863 10.736 1.00 0.00 C ATOM 230 C GLY A 13 -9.707 21.011 9.542 1.00 0.00 C ATOM 231 O GLY A 13 -9.664 19.784 9.657 1.00 0.00 O ATOM 0 H GLY A 13 -9.292 23.757 10.811 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.523 21.644 11.589 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.176 21.561 11.013 1.00 0.00 H new ATOM 235 N GLY A 14 -9.347 21.630 8.408 1.00 0.00 N ATOM 236 CA GLY A 14 -8.713 20.937 7.279 1.00 0.00 C ATOM 237 C GLY A 14 -7.242 20.599 7.542 1.00 0.00 C ATOM 238 O GLY A 14 -6.644 21.085 8.503 1.00 0.00 O ATOM 0 H GLY A 14 -9.488 22.628 8.249 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.260 20.018 7.069 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.784 21.562 6.389 1.00 0.00 H new ATOM 242 N ARG A 15 -6.628 19.797 6.664 1.00 0.00 N ATOM 243 CA ARG A 15 -5.204 19.412 6.729 1.00 0.00 C ATOM 244 C ARG A 15 -4.467 19.631 5.410 1.00 0.00 C ATOM 245 O ARG A 15 -5.063 19.590 4.333 1.00 0.00 O ATOM 246 CB ARG A 15 -5.065 17.962 7.232 1.00 0.00 C ATOM 247 CG ARG A 15 -5.256 17.890 8.749 1.00 0.00 C ATOM 248 CD ARG A 15 -5.011 16.489 9.312 1.00 0.00 C ATOM 249 NE ARG A 15 -4.863 16.559 10.777 1.00 0.00 N ATOM 250 CZ ARG A 15 -4.839 15.572 11.640 1.00 0.00 C ATOM 251 NH1 ARG A 15 -4.987 14.327 11.280 1.00 0.00 N1+ ATOM 252 NH2 ARG A 15 -4.651 15.822 12.905 1.00 0.00 N ATOM 0 H ARG A 15 -7.115 19.385 5.868 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.721 20.075 7.447 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.802 17.329 6.738 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.082 17.573 6.966 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.576 18.594 9.230 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.269 18.205 8.998 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.841 15.832 9.052 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.113 16.060 8.867 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.767 17.495 11.170 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.127 14.094 10.297 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.962 13.587 11.981 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.523 16.783 13.221 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.632 15.056 13.579 1.00 0.00 H new ATOM 266 N VAL A 16 -3.159 19.857 5.519 1.00 0.00 N ATOM 267 CA VAL A 16 -2.213 20.083 4.417 1.00 0.00 C ATOM 268 C VAL A 16 -1.011 19.156 4.587 1.00 0.00 C ATOM 269 O VAL A 16 -0.543 18.937 5.706 1.00 0.00 O ATOM 270 CB VAL A 16 -1.784 21.567 4.336 1.00 0.00 C ATOM 271 CG1 VAL A 16 -0.742 21.841 3.239 1.00 0.00 C ATOM 272 CG2 VAL A 16 -2.993 22.481 4.086 1.00 0.00 C ATOM 0 H VAL A 16 -2.700 19.890 6.429 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.704 19.851 3.472 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.330 21.785 5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.486 22.900 3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.154 21.251 3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.155 21.566 2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.661 23.518 4.034 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.469 22.205 3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.708 22.370 4.901 1.00 0.00 H new ATOM 282 N GLU A 17 -0.516 18.605 3.479 1.00 0.00 N ATOM 283 CA GLU A 17 0.633 17.689 3.433 1.00 0.00 C ATOM 284 C GLU A 17 1.658 18.135 2.382 1.00 0.00 C ATOM 285 O GLU A 17 1.290 18.649 1.319 1.00 0.00 O ATOM 286 CB GLU A 17 0.194 16.237 3.148 1.00 0.00 C ATOM 287 CG GLU A 17 -0.711 15.652 4.240 1.00 0.00 C ATOM 288 CD GLU A 17 -1.166 14.222 3.890 1.00 0.00 C ATOM 289 OE1 GLU A 17 -0.305 13.308 3.805 1.00 0.00 O ATOM 290 OE2 GLU A 17 -2.392 13.990 3.727 1.00 0.00 O1- ATOM 0 H GLU A 17 -0.913 18.787 2.557 1.00 0.00 H new ATOM 0 HA GLU A 17 1.100 17.721 4.417 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.332 16.204 2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.080 15.610 3.045 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.177 15.643 5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.584 16.291 4.371 1.00 0.00 H new ATOM 297 N ILE A 18 2.947 17.919 2.664 1.00 0.00 N ATOM 298 CA ILE A 18 4.075 18.181 1.751 1.00 0.00 C ATOM 299 C ILE A 18 4.898 16.895 1.636 1.00 0.00 C ATOM 300 O ILE A 18 5.521 16.476 2.610 1.00 0.00 O ATOM 301 CB ILE A 18 4.938 19.385 2.219 1.00 0.00 C ATOM 302 CG1 ILE A 18 4.102 20.676 2.402 1.00 0.00 C ATOM 303 CG2 ILE A 18 6.048 19.657 1.189 1.00 0.00 C ATOM 304 CD1 ILE A 18 3.662 20.904 3.853 1.00 0.00 C ATOM 0 H ILE A 18 3.249 17.544 3.563 1.00 0.00 H new ATOM 0 HA ILE A 18 3.694 18.463 0.769 1.00 0.00 H new ATOM 0 HB ILE A 18 5.362 19.118 3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.688 21.532 2.067 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.219 20.624 1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.652 20.502 1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.680 18.774 1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.599 19.888 0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.080 21.824 3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.051 20.064 4.184 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.542 20.986 4.491 1.00 0.00 H new ATOM 316 N GLY A 19 4.855 16.246 0.471 1.00 0.00 N ATOM 317 CA GLY A 19 5.582 15.005 0.191 1.00 0.00 C ATOM 318 C GLY A 19 7.042 15.224 -0.228 1.00 0.00 C ATOM 319 O GLY A 19 7.430 16.322 -0.635 1.00 0.00 O ATOM 0 H GLY A 19 4.303 16.575 -0.321 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.559 14.373 1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.064 14.462 -0.600 1.00 0.00 H new ATOM 323 N ASP A 20 7.840 14.155 -0.160 1.00 0.00 N ATOM 324 CA ASP A 20 9.224 14.080 -0.645 1.00 0.00 C ATOM 325 C ASP A 20 10.142 15.201 -0.100 1.00 0.00 C ATOM 326 O ASP A 20 10.864 15.887 -0.833 1.00 0.00 O ATOM 327 CB ASP A 20 9.254 13.922 -2.176 1.00 0.00 C ATOM 328 CG ASP A 20 8.505 12.691 -2.720 1.00 0.00 C ATOM 329 OD1 ASP A 20 8.172 12.685 -3.930 1.00 0.00 O ATOM 330 OD2 ASP A 20 8.252 11.717 -1.970 1.00 0.00 O1- ATOM 0 H ASP A 20 7.526 13.277 0.253 1.00 0.00 H new ATOM 0 HA ASP A 20 9.667 13.177 -0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.826 14.817 -2.627 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.293 13.868 -2.500 1.00 0.00 H new ATOM 335 N VAL A 21 10.079 15.397 1.217 1.00 0.00 N ATOM 336 CA VAL A 21 10.810 16.415 1.983 1.00 0.00 C ATOM 337 C VAL A 21 12.261 16.004 2.257 1.00 0.00 C ATOM 338 O VAL A 21 12.525 14.937 2.819 1.00 0.00 O ATOM 339 CB VAL A 21 10.048 16.724 3.285 1.00 0.00 C ATOM 340 CG1 VAL A 21 10.837 17.596 4.263 1.00 0.00 C ATOM 341 CG2 VAL A 21 8.734 17.442 2.949 1.00 0.00 C ATOM 0 H VAL A 21 9.485 14.820 1.813 1.00 0.00 H new ATOM 0 HA VAL A 21 10.865 17.323 1.383 1.00 0.00 H new ATOM 0 HB VAL A 21 9.871 15.765 3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.239 17.773 5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.761 17.088 4.539 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.074 18.549 3.791 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.193 17.661 3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.952 18.373 2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.122 16.802 2.313 1.00 0.00 H new ATOM 351 N LEU A 22 13.205 16.875 1.888 1.00 0.00 N ATOM 352 CA LEU A 22 14.633 16.742 2.200 1.00 0.00 C ATOM 353 C LEU A 22 14.964 17.208 3.626 1.00 0.00 C ATOM 354 O LEU A 22 15.834 16.614 4.272 1.00 0.00 O ATOM 355 CB LEU A 22 15.469 17.571 1.209 1.00 0.00 C ATOM 356 CG LEU A 22 15.390 17.162 -0.273 1.00 0.00 C ATOM 357 CD1 LEU A 22 16.303 18.079 -1.091 1.00 0.00 C ATOM 358 CD2 LEU A 22 15.861 15.728 -0.511 1.00 0.00 C ATOM 0 H LEU A 22 12.992 17.715 1.350 1.00 0.00 H new ATOM 0 HA LEU A 22 14.876 15.683 2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.160 18.613 1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 22 16.512 17.523 1.520 1.00 0.00 H new ATOM 0 HG LEU A 22 14.345 17.243 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.254 17.797 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.977 19.113 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.329 17.981 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.785 15.491 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.898 15.628 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 22 15.237 15.041 0.060 1.00 0.00 H new ATOM 370 N GLU A 23 14.307 18.264 4.129 1.00 0.00 N ATOM 371 CA GLU A 23 14.634 18.837 5.443 1.00 0.00 C ATOM 372 C GLU A 23 13.486 19.655 6.049 1.00 0.00 C ATOM 373 O GLU A 23 12.709 20.279 5.326 1.00 0.00 O ATOM 374 CB GLU A 23 15.907 19.696 5.324 1.00 0.00 C ATOM 375 CG GLU A 23 16.377 20.300 6.656 1.00 0.00 C ATOM 376 CD GLU A 23 17.815 20.827 6.605 1.00 0.00 C ATOM 377 OE1 GLU A 23 18.450 20.914 7.683 1.00 0.00 O ATOM 378 OE2 GLU A 23 18.323 21.179 5.515 1.00 0.00 O1- ATOM 0 H GLU A 23 13.545 18.739 3.645 1.00 0.00 H new ATOM 0 HA GLU A 23 14.805 18.005 6.126 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.709 19.084 4.911 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.724 20.503 4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.708 21.114 6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.301 19.544 7.437 1.00 0.00 H new ATOM 385 N VAL A 24 13.417 19.681 7.384 1.00 0.00 N ATOM 386 CA VAL A 24 12.506 20.507 8.192 1.00 0.00 C ATOM 387 C VAL A 24 13.282 21.168 9.339 1.00 0.00 C ATOM 388 O VAL A 24 14.152 20.529 9.940 1.00 0.00 O ATOM 389 CB VAL A 24 11.342 19.670 8.757 1.00 0.00 C ATOM 390 CG1 VAL A 24 10.302 20.517 9.502 1.00 0.00 C ATOM 391 CG2 VAL A 24 10.610 18.909 7.658 1.00 0.00 C ATOM 0 H VAL A 24 14.024 19.099 7.961 1.00 0.00 H new ATOM 0 HA VAL A 24 12.084 21.277 7.546 1.00 0.00 H new ATOM 0 HB VAL A 24 11.810 18.978 9.457 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.508 19.871 9.876 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.780 21.027 10.339 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.879 21.255 8.821 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.796 18.331 8.096 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.204 19.616 6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.305 18.235 7.157 1.00 0.00 H new ATOM 401 N ARG A 25 12.957 22.424 9.680 1.00 0.00 N ATOM 402 CA ARG A 25 13.518 23.177 10.819 1.00 0.00 C ATOM 403 C ARG A 25 12.436 23.970 11.554 1.00 0.00 C ATOM 404 O ARG A 25 11.502 24.461 10.924 1.00 0.00 O ATOM 405 CB ARG A 25 14.661 24.104 10.361 1.00 0.00 C ATOM 406 CG ARG A 25 15.857 23.327 9.792 1.00 0.00 C ATOM 407 CD ARG A 25 17.060 24.236 9.516 1.00 0.00 C ATOM 408 NE ARG A 25 18.142 23.487 8.850 1.00 0.00 N ATOM 409 CZ ARG A 25 19.315 23.942 8.465 1.00 0.00 C ATOM 410 NH1 ARG A 25 19.717 25.153 8.710 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 20.104 23.151 7.809 1.00 0.00 N ATOM 0 H ARG A 25 12.272 22.966 9.153 1.00 0.00 H new ATOM 0 HA ARG A 25 13.930 22.451 11.520 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.285 24.792 9.603 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.993 24.709 11.204 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.148 22.546 10.494 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.559 22.831 8.868 1.00 0.00 H new ATOM 0 HD2 ARG A 25 16.752 25.073 8.889 1.00 0.00 H new ATOM 0 HD3 ARG A 25 17.426 24.656 10.453 1.00 0.00 H new ATOM 0 HE ARG A 25 17.960 22.500 8.666 1.00 0.00 H new ATOM 0 HH11 ARG A 25 19.114 25.797 9.222 1.00 0.00 H new ATOM 0 HH12 ARG A 25 20.636 25.460 8.391 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.811 22.196 7.601 1.00 0.00 H new ATOM 0 HH22 ARG A 25 21.018 23.483 7.501 1.00 0.00 H new ATOM 425 N ALA A 26 12.581 24.128 12.864 1.00 0.00 N ATOM 426 CA ALA A 26 11.693 24.911 13.728 1.00 0.00 C ATOM 427 C ALA A 26 12.469 26.076 14.361 1.00 0.00 C ATOM 428 O ALA A 26 13.477 25.861 15.039 1.00 0.00 O ATOM 429 CB ALA A 26 11.074 23.976 14.776 1.00 0.00 C ATOM 0 H ALA A 26 13.350 23.699 13.378 1.00 0.00 H new ATOM 0 HA ALA A 26 10.882 25.352 13.149 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.411 24.546 15.426 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.505 23.193 14.274 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.866 23.524 15.373 1.00 0.00 H new ATOM 435 N GLU A 27 12.028 27.308 14.110 1.00 0.00 N ATOM 436 CA GLU A 27 12.779 28.537 14.420 1.00 0.00 C ATOM 437 C GLU A 27 11.868 29.771 14.499 1.00 0.00 C ATOM 438 O GLU A 27 11.047 30.011 13.609 1.00 0.00 O ATOM 439 CB GLU A 27 13.867 28.717 13.337 1.00 0.00 C ATOM 440 CG GLU A 27 14.661 30.032 13.370 1.00 0.00 C ATOM 441 CD GLU A 27 15.318 30.357 14.727 1.00 0.00 C ATOM 442 OE1 GLU A 27 15.731 29.428 15.461 1.00 0.00 O ATOM 443 OE2 GLU A 27 15.430 31.560 15.074 1.00 0.00 O1- ATOM 0 H GLU A 27 11.122 27.490 13.677 1.00 0.00 H new ATOM 0 HA GLU A 27 13.236 28.439 15.405 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.573 27.891 13.423 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.392 28.630 12.360 1.00 0.00 H new ATOM 0 HG2 GLU A 27 15.438 29.990 12.607 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.993 30.850 13.100 1.00 0.00 H new ATOM 450 N GLY A 28 12.020 30.584 15.551 1.00 0.00 N ATOM 451 CA GLY A 28 11.336 31.879 15.703 1.00 0.00 C ATOM 452 C GLY A 28 9.806 31.805 15.839 1.00 0.00 C ATOM 453 O GLY A 28 9.113 32.746 15.443 1.00 0.00 O ATOM 0 H GLY A 28 12.632 30.359 16.336 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.738 32.382 16.582 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.578 32.502 14.841 1.00 0.00 H new ATOM 457 N GLY A 29 9.267 30.688 16.339 1.00 0.00 N ATOM 458 CA GLY A 29 7.821 30.428 16.411 1.00 0.00 C ATOM 459 C GLY A 29 7.193 30.047 15.056 1.00 0.00 C ATOM 460 O GLY A 29 6.008 30.308 14.832 1.00 0.00 O ATOM 0 H GLY A 29 9.831 29.925 16.712 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.640 29.624 17.124 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.320 31.316 16.797 1.00 0.00 H new ATOM 464 N ALA A 30 7.984 29.472 14.149 1.00 0.00 N ATOM 465 CA ALA A 30 7.578 29.024 12.818 1.00 0.00 C ATOM 466 C ALA A 30 8.304 27.729 12.414 1.00 0.00 C ATOM 467 O ALA A 30 9.385 27.427 12.922 1.00 0.00 O ATOM 468 CB ALA A 30 7.869 30.157 11.824 1.00 0.00 C ATOM 0 H ALA A 30 8.972 29.298 14.332 1.00 0.00 H new ATOM 0 HA ALA A 30 6.513 28.794 12.818 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.574 29.846 10.822 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.305 31.045 12.109 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.935 30.385 11.834 1.00 0.00 H new ATOM 474 N VAL A 31 7.741 26.991 11.453 1.00 0.00 N ATOM 475 CA VAL A 31 8.400 25.829 10.818 1.00 0.00 C ATOM 476 C VAL A 31 8.728 26.121 9.353 1.00 0.00 C ATOM 477 O VAL A 31 7.958 26.784 8.659 1.00 0.00 O ATOM 478 CB VAL A 31 7.575 24.542 10.998 1.00 0.00 C ATOM 479 CG1 VAL A 31 8.134 23.348 10.217 1.00 0.00 C ATOM 480 CG2 VAL A 31 7.565 24.145 12.478 1.00 0.00 C ATOM 0 H VAL A 31 6.808 27.179 11.086 1.00 0.00 H new ATOM 0 HA VAL A 31 9.348 25.655 11.327 1.00 0.00 H new ATOM 0 HB VAL A 31 6.578 24.767 10.620 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.505 22.474 10.389 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.146 23.583 9.153 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.149 23.136 10.553 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.981 23.234 12.606 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.587 23.972 12.815 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.120 24.947 13.067 1.00 0.00 H new ATOM 490 N ARG A 32 9.876 25.629 8.885 1.00 0.00 N ATOM 491 CA ARG A 32 10.390 25.769 7.514 1.00 0.00 C ATOM 492 C ARG A 32 10.703 24.385 6.933 1.00 0.00 C ATOM 493 O ARG A 32 11.155 23.507 7.666 1.00 0.00 O ATOM 494 CB ARG A 32 11.637 26.683 7.487 1.00 0.00 C ATOM 495 CG ARG A 32 11.442 28.106 8.051 1.00 0.00 C ATOM 496 CD ARG A 32 11.662 28.198 9.571 1.00 0.00 C ATOM 497 NE ARG A 32 11.574 29.587 10.072 1.00 0.00 N ATOM 498 CZ ARG A 32 12.539 30.486 10.127 1.00 0.00 C ATOM 499 NH1 ARG A 32 13.743 30.247 9.681 1.00 0.00 N1+ ATOM 500 NH2 ARG A 32 12.321 31.658 10.646 1.00 0.00 N ATOM 0 H ARG A 32 10.508 25.094 9.480 1.00 0.00 H new ATOM 0 HA ARG A 32 9.626 26.239 6.895 1.00 0.00 H new ATOM 0 HB2 ARG A 32 12.433 26.196 8.050 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.981 26.766 6.456 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.132 28.785 7.550 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.433 28.446 7.816 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.920 27.584 10.080 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.641 27.787 9.819 1.00 0.00 H new ATOM 0 HE ARG A 32 10.661 29.885 10.415 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.965 29.339 9.272 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.462 30.968 9.741 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.398 31.889 11.015 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.073 32.347 10.684 1.00 0.00 H new ATOM 514 N VAL A 33 10.475 24.186 5.636 1.00 0.00 N ATOM 515 CA VAL A 33 10.579 22.888 4.934 1.00 0.00 C ATOM 516 C VAL A 33 11.278 23.049 3.579 1.00 0.00 C ATOM 517 O VAL A 33 11.058 24.053 2.899 1.00 0.00 O ATOM 518 CB VAL A 33 9.187 22.244 4.724 1.00 0.00 C ATOM 519 CG1 VAL A 33 9.257 20.834 4.134 1.00 0.00 C ATOM 520 CG2 VAL A 33 8.367 22.160 6.017 1.00 0.00 C ATOM 0 H VAL A 33 10.202 24.946 5.013 1.00 0.00 H new ATOM 0 HA VAL A 33 11.175 22.230 5.567 1.00 0.00 H new ATOM 0 HB VAL A 33 8.697 22.913 4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.248 20.440 4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.752 20.870 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.821 20.186 4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.402 21.700 5.806 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.904 21.558 6.750 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.212 23.163 6.415 1.00 0.00 H new ATOM 530 N THR A 34 12.060 22.054 3.153 1.00 0.00 N ATOM 531 CA THR A 34 12.663 21.972 1.802 1.00 0.00 C ATOM 532 C THR A 34 12.291 20.662 1.106 1.00 0.00 C ATOM 533 O THR A 34 12.486 19.589 1.677 1.00 0.00 O ATOM 534 CB THR A 34 14.190 22.134 1.867 1.00 0.00 C ATOM 535 OG1 THR A 34 14.526 23.369 2.462 1.00 0.00 O ATOM 536 CG2 THR A 34 14.852 22.125 0.484 1.00 0.00 C ATOM 0 H THR A 34 12.303 21.260 3.745 1.00 0.00 H new ATOM 0 HA THR A 34 12.257 22.794 1.212 1.00 0.00 H new ATOM 0 HB THR A 34 14.550 21.285 2.448 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.501 23.460 2.499 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.930 22.243 0.596 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.640 21.179 -0.015 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.457 22.946 -0.114 1.00 0.00 H new ATOM 544 N THR A 35 11.784 20.723 -0.130 1.00 0.00 N ATOM 545 CA THR A 35 11.426 19.548 -0.959 1.00 0.00 C ATOM 546 C THR A 35 12.555 19.123 -1.909 1.00 0.00 C ATOM 547 O THR A 35 13.538 19.844 -2.101 1.00 0.00 O ATOM 548 CB THR A 35 10.159 19.804 -1.786 1.00 0.00 C ATOM 549 OG1 THR A 35 10.393 20.774 -2.781 1.00 0.00 O ATOM 550 CG2 THR A 35 8.959 20.240 -0.949 1.00 0.00 C ATOM 0 H THR A 35 11.604 21.610 -0.601 1.00 0.00 H new ATOM 0 HA THR A 35 11.247 18.739 -0.251 1.00 0.00 H new ATOM 0 HB THR A 35 9.914 18.844 -2.239 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.641 21.623 -2.359 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.101 20.403 -1.601 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.721 19.463 -0.222 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.198 21.166 -0.426 1.00 0.00 H new ATOM 558 N LEU A 36 12.402 17.961 -2.559 1.00 0.00 N ATOM 559 CA LEU A 36 13.332 17.439 -3.577 1.00 0.00 C ATOM 560 C LEU A 36 13.550 18.362 -4.800 1.00 0.00 C ATOM 561 O LEU A 36 14.537 18.197 -5.519 1.00 0.00 O ATOM 562 CB LEU A 36 12.887 16.029 -4.009 1.00 0.00 C ATOM 563 CG LEU A 36 11.793 15.945 -5.096 1.00 0.00 C ATOM 564 CD1 LEU A 36 11.562 14.479 -5.462 1.00 0.00 C ATOM 565 CD2 LEU A 36 10.462 16.554 -4.641 1.00 0.00 C ATOM 0 H LEU A 36 11.610 17.341 -2.389 1.00 0.00 H new ATOM 0 HA LEU A 36 14.311 17.395 -3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 36 13.764 15.491 -4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.529 15.500 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 36 12.144 16.517 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.791 14.413 -6.229 1.00 0.00 H new ATOM 0 HD12 LEU A 36 12.489 14.048 -5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.242 13.929 -4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.729 16.468 -5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.100 16.022 -3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.608 17.606 -4.395 1.00 0.00 H new ATOM 577 N PHE A 37 12.658 19.329 -5.034 1.00 0.00 N ATOM 578 CA PHE A 37 12.783 20.342 -6.085 1.00 0.00 C ATOM 579 C PHE A 37 13.725 21.506 -5.704 1.00 0.00 C ATOM 580 O PHE A 37 13.888 22.446 -6.489 1.00 0.00 O ATOM 581 CB PHE A 37 11.382 20.889 -6.420 1.00 0.00 C ATOM 582 CG PHE A 37 10.328 19.843 -6.745 1.00 0.00 C ATOM 583 CD1 PHE A 37 9.138 19.790 -5.994 1.00 0.00 C ATOM 584 CD2 PHE A 37 10.522 18.945 -7.812 1.00 0.00 C ATOM 585 CE1 PHE A 37 8.149 18.837 -6.308 1.00 0.00 C ATOM 586 CE2 PHE A 37 9.532 17.993 -8.122 1.00 0.00 C ATOM 587 CZ PHE A 37 8.347 17.934 -7.368 1.00 0.00 C ATOM 0 H PHE A 37 11.806 19.431 -4.482 1.00 0.00 H new ATOM 0 HA PHE A 37 13.230 19.857 -6.953 1.00 0.00 H new ATOM 0 HB2 PHE A 37 11.031 21.481 -5.575 1.00 0.00 H new ATOM 0 HB3 PHE A 37 11.470 21.566 -7.269 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.983 20.480 -5.177 1.00 0.00 H new ATOM 0 HD2 PHE A 37 11.431 18.986 -8.393 1.00 0.00 H new ATOM 0 HE1 PHE A 37 7.236 18.800 -5.733 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.683 17.306 -8.941 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.592 17.198 -7.602 1.00 0.00 H new ATOM 597 N ASP A 38 14.297 21.488 -4.492 1.00 0.00 N ATOM 598 CA ASP A 38 14.916 22.632 -3.798 1.00 0.00 C ATOM 599 C ASP A 38 13.933 23.789 -3.497 1.00 0.00 C ATOM 600 O ASP A 38 14.352 24.877 -3.097 1.00 0.00 O ATOM 601 CB ASP A 38 16.220 23.096 -4.477 1.00 0.00 C ATOM 602 CG ASP A 38 17.230 21.971 -4.763 1.00 0.00 C ATOM 603 OD1 ASP A 38 17.372 21.038 -3.939 1.00 0.00 O ATOM 604 OD2 ASP A 38 17.925 22.043 -5.808 1.00 0.00 O1- ATOM 0 H ASP A 38 14.344 20.632 -3.939 1.00 0.00 H new ATOM 0 HA ASP A 38 15.203 22.258 -2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.969 23.589 -5.417 1.00 0.00 H new ATOM 0 HB3 ASP A 38 16.698 23.843 -3.843 1.00 0.00 H new ATOM 609 N GLU A 39 12.623 23.568 -3.657 1.00 0.00 N ATOM 610 CA GLU A 39 11.572 24.524 -3.295 1.00 0.00 C ATOM 611 C GLU A 39 11.368 24.578 -1.776 1.00 0.00 C ATOM 612 O GLU A 39 11.214 23.538 -1.127 1.00 0.00 O ATOM 613 CB GLU A 39 10.267 24.180 -4.036 1.00 0.00 C ATOM 614 CG GLU A 39 9.144 25.176 -3.712 1.00 0.00 C ATOM 615 CD GLU A 39 7.923 24.974 -4.630 1.00 0.00 C ATOM 616 OE1 GLU A 39 7.486 25.955 -5.284 1.00 0.00 O ATOM 617 OE2 GLU A 39 7.380 23.846 -4.698 1.00 0.00 O1- ATOM 0 H GLU A 39 12.257 22.701 -4.050 1.00 0.00 H new ATOM 0 HA GLU A 39 11.885 25.521 -3.606 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.450 24.176 -5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.949 23.174 -3.763 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.841 25.058 -2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.517 26.194 -3.821 1.00 0.00 H new ATOM 624 N GLU A 40 11.358 25.789 -1.214 1.00 0.00 N ATOM 625 CA GLU A 40 11.141 26.038 0.214 1.00 0.00 C ATOM 626 C GLU A 40 9.682 26.399 0.534 1.00 0.00 C ATOM 627 O GLU A 40 8.997 27.063 -0.253 1.00 0.00 O ATOM 628 CB GLU A 40 12.077 27.151 0.713 1.00 0.00 C ATOM 629 CG GLU A 40 13.559 26.757 0.667 1.00 0.00 C ATOM 630 CD GLU A 40 14.503 27.919 1.036 1.00 0.00 C ATOM 631 OE1 GLU A 40 14.130 28.804 1.847 1.00 0.00 O ATOM 632 OE2 GLU A 40 15.638 27.963 0.499 1.00 0.00 O1- ATOM 0 H GLU A 40 11.504 26.644 -1.751 1.00 0.00 H new ATOM 0 HA GLU A 40 11.368 25.108 0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.926 28.044 0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.808 27.412 1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 40 13.730 25.926 1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.804 26.401 -0.334 1.00 0.00 H new ATOM 639 N HIS A 41 9.233 26.017 1.732 1.00 0.00 N ATOM 640 CA HIS A 41 7.940 26.389 2.329 1.00 0.00 C ATOM 641 C HIS A 41 8.135 26.873 3.771 1.00 0.00 C ATOM 642 O HIS A 41 9.088 26.470 4.446 1.00 0.00 O ATOM 643 CB HIS A 41 6.970 25.197 2.303 1.00 0.00 C ATOM 644 CG HIS A 41 6.758 24.578 0.943 1.00 0.00 C ATOM 645 ND1 HIS A 41 5.975 25.108 -0.084 1.00 0.00 N ATOM 646 CD2 HIS A 41 7.282 23.387 0.530 1.00 0.00 C ATOM 647 CE1 HIS A 41 6.043 24.222 -1.092 1.00 0.00 C ATOM 648 NE2 HIS A 41 6.827 23.183 -0.753 1.00 0.00 N ATOM 0 H HIS A 41 9.783 25.413 2.343 1.00 0.00 H new ATOM 0 HA HIS A 41 7.514 27.201 1.739 1.00 0.00 H new ATOM 0 HB2 HIS A 41 7.343 24.429 2.981 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.005 25.524 2.691 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.927 22.733 1.098 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.539 24.329 -2.041 1.00 0.00 H new ATOM 0 HE2 HIS A 41 7.047 22.382 -1.345 1.00 0.00 H new ATOM 656 N ALA A 42 7.215 27.700 4.272 1.00 0.00 N ATOM 657 CA ALA A 42 7.217 28.190 5.654 1.00 0.00 C ATOM 658 C ALA A 42 5.797 28.279 6.246 1.00 0.00 C ATOM 659 O ALA A 42 4.831 28.602 5.548 1.00 0.00 O ATOM 660 CB ALA A 42 7.971 29.523 5.742 1.00 0.00 C ATOM 0 H ALA A 42 6.434 28.055 3.720 1.00 0.00 H new ATOM 0 HA ALA A 42 7.747 27.462 6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.966 29.877 6.773 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.000 29.381 5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.484 30.260 5.103 1.00 0.00 H new ATOM 666 N PHE A 43 5.698 28.022 7.549 1.00 0.00 N ATOM 667 CA PHE A 43 4.453 27.847 8.299 1.00 0.00 C ATOM 668 C PHE A 43 4.549 28.552 9.670 1.00 0.00 C ATOM 669 O PHE A 43 4.985 27.936 10.653 1.00 0.00 O ATOM 670 CB PHE A 43 4.145 26.346 8.426 1.00 0.00 C ATOM 671 CG PHE A 43 4.117 25.599 7.107 1.00 0.00 C ATOM 672 CD1 PHE A 43 2.977 25.666 6.281 1.00 0.00 C ATOM 673 CD2 PHE A 43 5.253 24.878 6.675 1.00 0.00 C ATOM 674 CE1 PHE A 43 2.973 25.025 5.030 1.00 0.00 C ATOM 675 CE2 PHE A 43 5.246 24.246 5.422 1.00 0.00 C ATOM 676 CZ PHE A 43 4.110 24.321 4.595 1.00 0.00 C ATOM 0 H PHE A 43 6.523 27.925 8.140 1.00 0.00 H new ATOM 0 HA PHE A 43 3.624 28.313 7.766 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.892 25.888 9.074 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.180 26.226 8.918 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.105 26.211 6.610 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.125 24.813 7.308 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.096 25.073 4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.117 23.699 5.091 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.111 23.839 3.628 1.00 0.00 H new ATOM 686 N PRO A 44 4.200 29.852 9.759 1.00 0.00 N ATOM 687 CA PRO A 44 4.261 30.612 11.005 1.00 0.00 C ATOM 688 C PRO A 44 3.203 30.156 12.020 1.00 0.00 C ATOM 689 O PRO A 44 2.102 29.733 11.661 1.00 0.00 O ATOM 690 CB PRO A 44 4.102 32.083 10.605 1.00 0.00 C ATOM 691 CG PRO A 44 3.295 32.017 9.308 1.00 0.00 C ATOM 692 CD PRO A 44 3.769 30.715 8.661 1.00 0.00 C ATOM 0 HA PRO A 44 5.208 30.450 11.519 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.580 32.653 11.373 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.068 32.564 10.452 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.223 32.002 9.502 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.491 32.878 8.669 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.966 30.248 8.090 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.588 30.900 7.966 1.00 0.00 H new ATOM 700 N GLY A 45 3.548 30.243 13.307 1.00 0.00 N ATOM 701 CA GLY A 45 2.722 29.810 14.444 1.00 0.00 C ATOM 702 C GLY A 45 2.803 28.309 14.767 1.00 0.00 C ATOM 703 O GLY A 45 2.098 27.854 15.667 1.00 0.00 O ATOM 0 H GLY A 45 4.444 30.632 13.600 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.021 30.374 15.328 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.683 30.067 14.239 1.00 0.00 H new ATOM 707 N LEU A 46 3.644 27.539 14.062 1.00 0.00 N ATOM 708 CA LEU A 46 3.847 26.101 14.280 1.00 0.00 C ATOM 709 C LEU A 46 5.207 25.765 14.921 1.00 0.00 C ATOM 710 O LEU A 46 6.158 26.547 14.865 1.00 0.00 O ATOM 711 CB LEU A 46 3.662 25.315 12.961 1.00 0.00 C ATOM 712 CG LEU A 46 2.316 25.501 12.237 1.00 0.00 C ATOM 713 CD1 LEU A 46 2.227 24.492 11.089 1.00 0.00 C ATOM 714 CD2 LEU A 46 1.100 25.251 13.132 1.00 0.00 C ATOM 0 H LEU A 46 4.217 27.910 13.304 1.00 0.00 H new ATOM 0 HA LEU A 46 3.084 25.792 14.995 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.461 25.602 12.277 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.792 24.254 13.174 1.00 0.00 H new ATOM 0 HG LEU A 46 2.292 26.538 11.902 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.277 24.615 10.569 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.047 24.662 10.391 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.294 23.480 11.488 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.187 25.400 12.555 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.129 24.228 13.508 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.117 25.946 13.971 1.00 0.00 H new ATOM 726 N ALA A 47 5.287 24.551 15.457 1.00 0.00 N ATOM 727 CA ALA A 47 6.489 23.835 15.883 1.00 0.00 C ATOM 728 C ALA A 47 6.361 22.335 15.532 1.00 0.00 C ATOM 729 O ALA A 47 5.256 21.831 15.306 1.00 0.00 O ATOM 730 CB ALA A 47 6.690 24.059 17.388 1.00 0.00 C ATOM 0 H ALA A 47 4.446 23.996 15.618 1.00 0.00 H new ATOM 0 HA ALA A 47 7.366 24.215 15.359 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.584 23.530 17.718 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.806 25.125 17.585 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.823 23.682 17.931 1.00 0.00 H new ATOM 736 N ILE A 48 7.477 21.598 15.484 1.00 0.00 N ATOM 737 CA ILE A 48 7.457 20.141 15.253 1.00 0.00 C ATOM 738 C ILE A 48 6.926 19.431 16.510 1.00 0.00 C ATOM 739 O ILE A 48 7.491 19.583 17.596 1.00 0.00 O ATOM 740 CB ILE A 48 8.853 19.620 14.834 1.00 0.00 C ATOM 741 CG1 ILE A 48 9.380 20.312 13.553 1.00 0.00 C ATOM 742 CG2 ILE A 48 8.818 18.092 14.615 1.00 0.00 C ATOM 743 CD1 ILE A 48 10.904 20.233 13.419 1.00 0.00 C ATOM 0 H ILE A 48 8.413 21.986 15.602 1.00 0.00 H new ATOM 0 HA ILE A 48 6.785 19.918 14.424 1.00 0.00 H new ATOM 0 HB ILE A 48 9.535 19.861 15.649 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.919 19.850 12.680 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.074 21.358 13.559 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.808 17.744 14.321 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.520 17.599 15.540 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.101 17.853 13.829 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.215 20.735 12.503 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.370 20.720 14.276 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.212 19.188 13.383 1.00 0.00 H new ATOM 755 N GLY A 49 5.845 18.656 16.368 1.00 0.00 N ATOM 756 CA GLY A 49 5.192 17.931 17.462 1.00 0.00 C ATOM 757 C GLY A 49 5.732 16.511 17.655 1.00 0.00 C ATOM 758 O GLY A 49 6.075 16.129 18.773 1.00 0.00 O ATOM 0 H GLY A 49 5.389 18.513 15.467 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.322 18.491 18.388 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.121 17.882 17.267 1.00 0.00 H new ATOM 762 N ARG A 50 5.859 15.739 16.569 1.00 0.00 N ATOM 763 CA ARG A 50 6.493 14.403 16.559 1.00 0.00 C ATOM 764 C ARG A 50 7.022 14.016 15.178 1.00 0.00 C ATOM 765 O ARG A 50 6.600 14.577 14.165 1.00 0.00 O ATOM 766 CB ARG A 50 5.530 13.334 17.131 1.00 0.00 C ATOM 767 CG ARG A 50 4.319 12.990 16.250 1.00 0.00 C ATOM 768 CD ARG A 50 3.518 11.814 16.841 1.00 0.00 C ATOM 769 NE ARG A 50 2.560 11.283 15.852 1.00 0.00 N ATOM 770 CZ ARG A 50 2.542 10.062 15.345 1.00 0.00 C ATOM 771 NH1 ARG A 50 3.229 9.068 15.819 1.00 0.00 N1+ ATOM 772 NH2 ARG A 50 1.833 9.789 14.294 1.00 0.00 N ATOM 0 H ARG A 50 5.519 16.026 15.651 1.00 0.00 H new ATOM 0 HA ARG A 50 7.365 14.453 17.211 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.096 12.420 17.311 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.166 13.680 18.099 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.673 13.863 16.157 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.657 12.735 15.246 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.201 11.024 17.153 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.983 12.144 17.732 1.00 0.00 H new ATOM 0 HE ARG A 50 1.837 11.924 15.526 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.829 9.205 16.632 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.168 8.150 15.378 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.280 10.521 13.848 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.829 8.843 13.914 1.00 0.00 H new ATOM 786 N VAL A 51 7.895 13.013 15.132 1.00 0.00 N ATOM 787 CA VAL A 51 8.286 12.320 13.895 1.00 0.00 C ATOM 788 C VAL A 51 8.085 10.817 14.076 1.00 0.00 C ATOM 789 O VAL A 51 8.563 10.236 15.049 1.00 0.00 O ATOM 790 CB VAL A 51 9.727 12.635 13.445 1.00 0.00 C ATOM 791 CG1 VAL A 51 9.953 12.127 12.017 1.00 0.00 C ATOM 792 CG2 VAL A 51 10.057 14.138 13.490 1.00 0.00 C ATOM 0 H VAL A 51 8.361 12.649 15.963 1.00 0.00 H new ATOM 0 HA VAL A 51 7.643 12.690 13.096 1.00 0.00 H new ATOM 0 HB VAL A 51 10.387 12.127 14.149 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.973 12.354 11.707 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.795 11.049 11.985 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.252 12.617 11.341 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.085 14.295 13.162 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.379 14.679 12.830 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.941 14.506 14.510 1.00 0.00 H new ATOM 802 N ASP A 52 7.376 10.185 13.142 1.00 0.00 N ATOM 803 CA ASP A 52 7.004 8.767 13.165 1.00 0.00 C ATOM 804 C ASP A 52 7.698 8.010 12.017 1.00 0.00 C ATOM 805 O ASP A 52 7.191 7.908 10.892 1.00 0.00 O ATOM 806 CB ASP A 52 5.472 8.672 13.129 1.00 0.00 C ATOM 807 CG ASP A 52 4.916 7.295 13.537 1.00 0.00 C ATOM 808 OD1 ASP A 52 5.691 6.323 13.680 1.00 0.00 O ATOM 809 OD2 ASP A 52 3.688 7.206 13.786 1.00 0.00 O1- ATOM 0 H ASP A 52 7.029 10.666 12.312 1.00 0.00 H new ATOM 0 HA ASP A 52 7.346 8.284 14.080 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.056 9.430 13.792 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.128 8.906 12.122 1.00 0.00 H new ATOM 814 N LEU A 53 8.910 7.514 12.282 1.00 0.00 N ATOM 815 CA LEU A 53 9.798 6.875 11.306 1.00 0.00 C ATOM 816 C LEU A 53 9.269 5.502 10.833 1.00 0.00 C ATOM 817 O LEU A 53 9.764 4.973 9.834 1.00 0.00 O ATOM 818 CB LEU A 53 11.221 6.740 11.889 1.00 0.00 C ATOM 819 CG LEU A 53 12.006 8.020 12.259 1.00 0.00 C ATOM 820 CD1 LEU A 53 12.066 9.021 11.104 1.00 0.00 C ATOM 821 CD2 LEU A 53 11.494 8.736 13.516 1.00 0.00 C ATOM 0 H LEU A 53 9.315 7.548 13.218 1.00 0.00 H new ATOM 0 HA LEU A 53 9.829 7.519 10.427 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.151 6.126 12.787 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.820 6.184 11.168 1.00 0.00 H new ATOM 0 HG LEU A 53 13.009 7.653 12.478 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.628 9.902 11.415 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.559 8.560 10.248 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.054 9.316 10.825 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.101 9.622 13.702 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.455 9.032 13.369 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.562 8.063 14.371 1.00 0.00 H new ATOM 833 N ARG A 54 8.233 4.953 11.488 1.00 0.00 N ATOM 834 CA ARG A 54 7.479 3.769 11.024 1.00 0.00 C ATOM 835 C ARG A 54 6.802 4.007 9.666 1.00 0.00 C ATOM 836 O ARG A 54 6.590 3.053 8.915 1.00 0.00 O ATOM 837 CB ARG A 54 6.401 3.400 12.058 1.00 0.00 C ATOM 838 CG ARG A 54 6.903 3.223 13.497 1.00 0.00 C ATOM 839 CD ARG A 54 5.722 2.857 14.405 1.00 0.00 C ATOM 840 NE ARG A 54 6.063 2.959 15.837 1.00 0.00 N ATOM 841 CZ ARG A 54 5.837 4.001 16.619 1.00 0.00 C ATOM 842 NH1 ARG A 54 5.387 5.140 16.191 1.00 0.00 N1+ ATOM 843 NH2 ARG A 54 6.054 3.960 17.897 1.00 0.00 N ATOM 0 H ARG A 54 7.887 5.324 12.373 1.00 0.00 H new ATOM 0 HA ARG A 54 8.196 2.956 10.908 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.635 4.175 12.051 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.921 2.474 11.742 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.662 2.442 13.536 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.373 4.142 13.846 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.881 3.515 14.186 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.397 1.840 14.183 1.00 0.00 H new ATOM 0 HE ARG A 54 6.515 2.150 16.263 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.187 5.269 15.199 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.233 5.906 16.846 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.409 3.106 18.327 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.869 4.782 18.472 1.00 0.00 H new ATOM 857 N SER A 55 6.475 5.269 9.358 1.00 0.00 N ATOM 858 CA SER A 55 5.765 5.699 8.137 1.00 0.00 C ATOM 859 C SER A 55 6.384 6.943 7.467 1.00 0.00 C ATOM 860 O SER A 55 5.873 7.410 6.447 1.00 0.00 O ATOM 861 CB SER A 55 4.276 5.950 8.451 1.00 0.00 C ATOM 862 OG SER A 55 3.654 4.817 9.041 1.00 0.00 O ATOM 0 H SER A 55 6.704 6.050 9.972 1.00 0.00 H new ATOM 0 HA SER A 55 5.865 4.884 7.420 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.187 6.803 9.124 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.752 6.213 7.532 1.00 0.00 H new ATOM 0 HG SER A 55 2.713 5.019 9.225 1.00 0.00 H new ATOM 868 N GLY A 56 7.475 7.496 8.018 1.00 0.00 N ATOM 869 CA GLY A 56 8.170 8.678 7.492 1.00 0.00 C ATOM 870 C GLY A 56 7.379 9.986 7.619 1.00 0.00 C ATOM 871 O GLY A 56 7.469 10.842 6.741 1.00 0.00 O ATOM 0 H GLY A 56 7.908 7.123 8.863 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.119 8.789 8.016 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.404 8.509 6.441 1.00 0.00 H new ATOM 875 N VAL A 57 6.564 10.136 8.670 1.00 0.00 N ATOM 876 CA VAL A 57 5.670 11.291 8.868 1.00 0.00 C ATOM 877 C VAL A 57 6.233 12.275 9.893 1.00 0.00 C ATOM 878 O VAL A 57 6.446 11.911 11.048 1.00 0.00 O ATOM 879 CB VAL A 57 4.252 10.846 9.276 1.00 0.00 C ATOM 880 CG1 VAL A 57 3.304 12.045 9.450 1.00 0.00 C ATOM 881 CG2 VAL A 57 3.627 9.926 8.217 1.00 0.00 C ATOM 0 H VAL A 57 6.504 9.449 9.421 1.00 0.00 H new ATOM 0 HA VAL A 57 5.604 11.804 7.909 1.00 0.00 H new ATOM 0 HB VAL A 57 4.368 10.318 10.223 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.315 11.688 9.738 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.691 12.705 10.226 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.233 12.592 8.510 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.627 9.631 8.536 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.563 10.456 7.267 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.247 9.037 8.096 1.00 0.00 H new ATOM 891 N ILE A 58 6.412 13.533 9.493 1.00 0.00 N ATOM 892 CA ILE A 58 6.728 14.676 10.365 1.00 0.00 C ATOM 893 C ILE A 58 5.428 15.429 10.675 1.00 0.00 C ATOM 894 O ILE A 58 4.819 16.019 9.782 1.00 0.00 O ATOM 895 CB ILE A 58 7.787 15.578 9.683 1.00 0.00 C ATOM 896 CG1 ILE A 58 9.142 14.836 9.591 1.00 0.00 C ATOM 897 CG2 ILE A 58 7.939 16.927 10.409 1.00 0.00 C ATOM 898 CD1 ILE A 58 10.178 15.494 8.673 1.00 0.00 C ATOM 0 H ILE A 58 6.339 13.801 8.511 1.00 0.00 H new ATOM 0 HA ILE A 58 7.158 14.339 11.308 1.00 0.00 H new ATOM 0 HB ILE A 58 7.442 15.798 8.673 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.564 14.756 10.593 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.960 13.820 9.240 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.691 17.531 9.901 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.985 17.454 10.402 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.250 16.753 11.439 1.00 0.00 H new ATOM 0 HD11 ILE A 58 11.093 14.902 8.674 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.782 15.549 7.659 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.396 16.500 9.033 1.00 0.00 H new ATOM 910 N SER A 59 4.980 15.401 11.934 1.00 0.00 N ATOM 911 CA SER A 59 3.730 16.026 12.382 1.00 0.00 C ATOM 912 C SER A 59 3.980 17.368 13.074 1.00 0.00 C ATOM 913 O SER A 59 4.753 17.432 14.039 1.00 0.00 O ATOM 914 CB SER A 59 2.995 15.076 13.332 1.00 0.00 C ATOM 915 OG SER A 59 1.728 15.607 13.685 1.00 0.00 O ATOM 0 H SER A 59 5.486 14.934 12.686 1.00 0.00 H new ATOM 0 HA SER A 59 3.116 16.220 11.502 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.868 14.103 12.857 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.592 14.917 14.230 1.00 0.00 H new ATOM 0 HG SER A 59 1.271 14.987 14.291 1.00 0.00 H new ATOM 921 N LEU A 60 3.342 18.441 12.595 1.00 0.00 N ATOM 922 CA LEU A 60 3.434 19.789 13.159 1.00 0.00 C ATOM 923 C LEU A 60 2.236 20.116 14.071 1.00 0.00 C ATOM 924 O LEU A 60 1.114 19.646 13.846 1.00 0.00 O ATOM 925 CB LEU A 60 3.591 20.829 12.038 1.00 0.00 C ATOM 926 CG LEU A 60 4.681 20.544 10.991 1.00 0.00 C ATOM 927 CD1 LEU A 60 4.805 21.752 10.065 1.00 0.00 C ATOM 928 CD2 LEU A 60 6.054 20.273 11.616 1.00 0.00 C ATOM 0 H LEU A 60 2.730 18.393 11.780 1.00 0.00 H new ATOM 0 HA LEU A 60 4.323 19.827 13.788 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.636 20.921 11.521 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.801 21.796 12.495 1.00 0.00 H new ATOM 0 HG LEU A 60 4.380 19.647 10.450 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.576 21.560 9.318 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.852 21.927 9.566 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.076 22.632 10.649 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.781 20.079 10.827 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.369 21.142 12.194 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.990 19.405 12.272 1.00 0.00 H new ATOM 940 N ILE A 61 2.477 20.963 15.077 1.00 0.00 N ATOM 941 CA ILE A 61 1.508 21.446 16.083 1.00 0.00 C ATOM 942 C ILE A 61 1.648 22.965 16.281 1.00 0.00 C ATOM 943 O ILE A 61 2.671 23.545 15.911 1.00 0.00 O ATOM 944 CB ILE A 61 1.638 20.667 17.415 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.039 20.693 18.082 1.00 0.00 C ATOM 946 CG2 ILE A 61 1.205 19.203 17.220 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.349 21.943 18.917 1.00 0.00 C ATOM 0 H ILE A 61 3.406 21.357 15.225 1.00 0.00 H new ATOM 0 HA ILE A 61 0.502 21.255 15.710 1.00 0.00 H new ATOM 0 HB ILE A 61 0.977 21.198 18.100 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.134 19.816 18.723 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.795 20.601 17.302 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.301 18.666 18.164 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.167 19.172 16.889 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.840 18.733 16.469 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.351 21.860 19.338 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.294 22.827 18.282 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.622 22.030 19.725 1.00 0.00 H new ATOM 959 N GLU A 62 0.639 23.633 16.838 1.00 0.00 N ATOM 960 CA GLU A 62 0.709 25.075 17.129 1.00 0.00 C ATOM 961 C GLU A 62 1.667 25.385 18.293 1.00 0.00 C ATOM 962 O GLU A 62 1.596 24.771 19.363 1.00 0.00 O ATOM 963 CB GLU A 62 -0.686 25.640 17.433 1.00 0.00 C ATOM 964 CG GLU A 62 -1.625 25.557 16.220 1.00 0.00 C ATOM 965 CD GLU A 62 -2.952 26.299 16.451 1.00 0.00 C ATOM 966 OE1 GLU A 62 -2.945 27.428 16.998 1.00 0.00 O ATOM 967 OE2 GLU A 62 -4.016 25.767 16.052 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.246 23.199 17.101 1.00 0.00 H new ATOM 0 HA GLU A 62 1.103 25.559 16.235 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.124 25.092 18.267 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.594 26.679 17.748 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.124 25.977 15.348 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.832 24.511 15.996 1.00 0.00 H new ATOM 974 N GLU A 63 2.542 26.380 18.118 1.00 0.00 N ATOM 975 CA GLU A 63 3.540 26.784 19.128 1.00 0.00 C ATOM 976 C GLU A 63 2.924 27.557 20.317 1.00 0.00 C ATOM 977 O GLU A 63 3.540 27.655 21.379 1.00 0.00 O ATOM 978 CB GLU A 63 4.687 27.546 18.443 1.00 0.00 C ATOM 979 CG GLU A 63 4.348 28.964 17.948 1.00 0.00 C ATOM 980 CD GLU A 63 4.797 30.096 18.897 1.00 0.00 C ATOM 981 OE1 GLU A 63 4.018 31.063 19.078 1.00 0.00 O ATOM 982 OE2 GLU A 63 5.930 30.061 19.436 1.00 0.00 O1- ATOM 0 H GLU A 63 2.582 26.937 17.264 1.00 0.00 H new ATOM 0 HA GLU A 63 3.951 25.881 19.579 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.520 27.615 19.142 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.032 26.958 17.593 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.814 29.117 16.974 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.270 29.036 17.801 1.00 0.00 H new ATOM 989 N GLN A 64 1.683 28.044 20.170 1.00 0.00 N ATOM 990 CA GLN A 64 0.831 28.536 21.270 1.00 0.00 C ATOM 991 C GLN A 64 0.022 27.441 21.993 1.00 0.00 C ATOM 992 O GLN A 64 -0.764 27.712 22.901 1.00 0.00 O ATOM 993 CB GLN A 64 -0.084 29.665 20.756 1.00 0.00 C ATOM 994 CG GLN A 64 0.676 30.924 20.322 1.00 0.00 C ATOM 995 CD GLN A 64 1.394 31.610 21.489 1.00 0.00 C ATOM 996 OE1 GLN A 64 0.840 31.836 22.561 1.00 0.00 O ATOM 997 NE2 GLN A 64 2.647 31.981 21.335 1.00 0.00 N ATOM 0 H GLN A 64 1.229 28.110 19.259 1.00 0.00 H new ATOM 0 HA GLN A 64 1.507 28.925 22.032 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.666 29.294 19.912 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.793 29.931 21.540 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.406 30.658 19.557 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.022 31.626 19.866 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.127 31.803 20.453 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.139 32.446 22.098 1.00 0.00 H new ATOM 1006 N ASN A 65 0.243 26.199 21.578 1.00 0.00 N ATOM 1007 CA ASN A 65 -0.306 24.943 22.112 1.00 0.00 C ATOM 1008 C ASN A 65 -1.845 24.972 22.315 1.00 0.00 C ATOM 1009 O ASN A 65 -2.357 24.469 23.323 1.00 0.00 O ATOM 1010 CB ASN A 65 0.496 24.530 23.363 1.00 0.00 C ATOM 1011 CG ASN A 65 2.004 24.324 23.202 1.00 0.00 C ATOM 1012 OD1 ASN A 65 2.739 24.321 24.179 1.00 0.00 O ATOM 1013 ND2 ASN A 65 2.544 24.139 22.013 1.00 0.00 N ATOM 0 H ASN A 65 0.865 26.022 20.789 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.179 24.161 21.363 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.341 25.291 24.128 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.069 23.603 23.745 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.551 23.998 21.926 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.955 24.137 21.180 1.00 0.00 H new ATOM 1020 N ARG A 66 -2.576 25.589 21.370 1.00 0.00 N ATOM 1021 CA ARG A 66 -4.044 25.752 21.405 1.00 0.00 C ATOM 1022 C ARG A 66 -4.801 24.418 21.332 1.00 0.00 C ATOM 1023 O ARG A 66 -5.796 24.269 22.073 1.00 0.00 O ATOM 1024 CB ARG A 66 -4.511 26.693 20.280 1.00 0.00 C ATOM 1025 CG ARG A 66 -3.905 28.103 20.373 1.00 0.00 C ATOM 1026 CD ARG A 66 -4.612 29.067 19.414 1.00 0.00 C ATOM 1027 NE ARG A 66 -3.977 30.397 19.403 1.00 0.00 N ATOM 1028 CZ ARG A 66 -3.055 30.834 18.569 1.00 0.00 C ATOM 1029 NH1 ARG A 66 -2.633 32.061 18.657 1.00 0.00 N1+ ATOM 1030 NH2 ARG A 66 -2.520 30.085 17.647 1.00 0.00 N ATOM 1031 OXT ARG A 66 -4.424 23.538 20.523 1.00 0.00 O1- ATOM 0 H ARG A 66 -2.153 26.000 20.538 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.282 26.195 22.372 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.248 26.255 19.317 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.598 26.770 20.308 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.990 28.473 21.395 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.842 28.063 20.136 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.600 28.651 18.407 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.658 29.167 19.705 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.286 31.052 20.121 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.016 32.682 19.370 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.919 32.402 18.013 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.812 29.113 17.547 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.809 30.471 17.025 1.00 0.00 H new TER 1045 ARG A 66 ATOM 1046 N GLY B -3 15.376 -5.276 -5.714 1.00 0.00 N ATOM 1047 CA GLY B -3 14.089 -4.666 -6.120 1.00 0.00 C ATOM 1048 C GLY B -3 14.067 -3.160 -5.860 1.00 0.00 C ATOM 1049 O GLY B -3 15.132 -2.538 -5.773 1.00 0.00 O ATOM 0 H1 GLY B -3 15.634 -6.024 -6.389 1.00 0.00 H new ATOM 0 H2 GLY B -3 16.118 -4.547 -5.705 1.00 0.00 H new ATOM 0 H3 GLY B -3 15.281 -5.685 -4.763 1.00 0.00 H new ATOM 0 HA2 GLY B -3 13.916 -4.854 -7.180 1.00 0.00 H new ATOM 0 HA3 GLY B -3 13.274 -5.141 -5.574 1.00 0.00 H new ATOM 1055 N PRO B -2 12.867 -2.548 -5.741 1.00 0.00 N ATOM 1056 CA PRO B -2 12.696 -1.108 -5.504 1.00 0.00 C ATOM 1057 C PRO B -2 13.293 -0.615 -4.176 1.00 0.00 C ATOM 1058 O PRO B -2 13.462 -1.386 -3.228 1.00 0.00 O ATOM 1059 CB PRO B -2 11.183 -0.855 -5.558 1.00 0.00 C ATOM 1060 CG PRO B -2 10.654 -2.006 -6.408 1.00 0.00 C ATOM 1061 CD PRO B -2 11.569 -3.163 -6.004 1.00 0.00 C ATOM 0 HA PRO B -2 13.242 -0.546 -6.262 1.00 0.00 H new ATOM 0 HB2 PRO B -2 10.741 -0.857 -4.562 1.00 0.00 H new ATOM 0 HB3 PRO B -2 10.954 0.112 -6.006 1.00 0.00 H new ATOM 0 HG2 PRO B -2 9.608 -2.222 -6.193 1.00 0.00 H new ATOM 0 HG3 PRO B -2 10.722 -1.788 -7.474 1.00 0.00 H new ATOM 0 HD2 PRO B -2 11.189 -3.676 -5.120 1.00 0.00 H new ATOM 0 HD3 PRO B -2 11.639 -3.906 -6.798 1.00 0.00 H new ATOM 1069 N GLY B -1 13.580 0.691 -4.094 1.00 0.00 N ATOM 1070 CA GLY B -1 14.037 1.365 -2.870 1.00 0.00 C ATOM 1071 C GLY B -1 12.951 1.517 -1.794 1.00 0.00 C ATOM 1072 O GLY B -1 11.759 1.322 -2.061 1.00 0.00 O ATOM 0 H GLY B -1 13.500 1.321 -4.892 1.00 0.00 H new ATOM 0 HA2 GLY B -1 14.873 0.805 -2.451 1.00 0.00 H new ATOM 0 HA3 GLY B -1 14.415 2.353 -3.132 1.00 0.00 H new ATOM 1076 N SER B 0 13.358 1.859 -0.568 1.00 0.00 N ATOM 1077 CA SER B 0 12.467 1.993 0.600 1.00 0.00 C ATOM 1078 C SER B 0 13.031 2.943 1.676 1.00 0.00 C ATOM 1079 O SER B 0 14.231 3.222 1.707 1.00 0.00 O ATOM 1080 CB SER B 0 12.209 0.601 1.191 1.00 0.00 C ATOM 1081 OG SER B 0 11.161 0.626 2.156 1.00 0.00 O ATOM 0 H SER B 0 14.335 2.055 -0.350 1.00 0.00 H new ATOM 0 HA SER B 0 11.532 2.439 0.260 1.00 0.00 H new ATOM 0 HB2 SER B 0 11.951 -0.092 0.391 1.00 0.00 H new ATOM 0 HB3 SER B 0 13.122 0.227 1.654 1.00 0.00 H new ATOM 0 HG SER B 0 11.022 -0.277 2.511 1.00 0.00 H new ATOM 1087 N MET B 1 12.173 3.445 2.568 1.00 0.00 N ATOM 1088 CA MET B 1 12.558 4.275 3.721 1.00 0.00 C ATOM 1089 C MET B 1 13.299 3.482 4.814 1.00 0.00 C ATOM 1090 O MET B 1 13.286 2.246 4.840 1.00 0.00 O ATOM 1091 CB MET B 1 11.315 4.989 4.288 1.00 0.00 C ATOM 1092 CG MET B 1 10.327 4.067 5.014 1.00 0.00 C ATOM 1093 SD MET B 1 8.884 4.913 5.722 1.00 0.00 S ATOM 1094 CE MET B 1 8.017 5.434 4.207 1.00 0.00 C ATOM 0 H MET B 1 11.167 3.284 2.511 1.00 0.00 H new ATOM 0 HA MET B 1 13.269 5.021 3.365 1.00 0.00 H new ATOM 0 HB2 MET B 1 11.642 5.766 4.979 1.00 0.00 H new ATOM 0 HB3 MET B 1 10.794 5.488 3.471 1.00 0.00 H new ATOM 0 HG2 MET B 1 9.979 3.307 4.315 1.00 0.00 H new ATOM 0 HG3 MET B 1 10.855 3.547 5.813 1.00 0.00 H new ATOM 0 HE1 MET B 1 7.034 5.825 4.467 1.00 0.00 H new ATOM 0 HE2 MET B 1 8.595 6.210 3.705 1.00 0.00 H new ATOM 0 HE3 MET B 1 7.903 4.579 3.541 1.00 0.00 H new ATOM 1104 N CYS B 2 13.922 4.202 5.750 1.00 0.00 N ATOM 1105 CA CYS B 2 14.654 3.651 6.898 1.00 0.00 C ATOM 1106 C CYS B 2 14.515 4.542 8.148 1.00 0.00 C ATOM 1107 O CYS B 2 14.092 5.698 8.064 1.00 0.00 O ATOM 1108 CB CYS B 2 16.124 3.435 6.500 1.00 0.00 C ATOM 1109 SG CYS B 2 16.963 5.017 6.185 1.00 0.00 S ATOM 0 H CYS B 2 13.932 5.222 5.731 1.00 0.00 H new ATOM 0 HA CYS B 2 14.219 2.689 7.169 1.00 0.00 H new ATOM 0 HB2 CYS B 2 16.643 2.898 7.294 1.00 0.00 H new ATOM 0 HB3 CYS B 2 16.173 2.811 5.608 1.00 0.00 H new ATOM 0 HG CYS B 2 18.200 4.794 5.855 1.00 0.00 H new ATOM 1115 N MET B 3 14.884 4.010 9.318 1.00 0.00 N ATOM 1116 CA MET B 3 14.910 4.763 10.578 1.00 0.00 C ATOM 1117 C MET B 3 15.995 5.850 10.578 1.00 0.00 C ATOM 1118 O MET B 3 17.082 5.672 10.023 1.00 0.00 O ATOM 1119 CB MET B 3 15.102 3.833 11.788 1.00 0.00 C ATOM 1120 CG MET B 3 13.872 2.974 12.100 1.00 0.00 C ATOM 1121 SD MET B 3 13.578 1.537 11.030 1.00 0.00 S ATOM 1122 CE MET B 3 14.886 0.426 11.632 1.00 0.00 C ATOM 0 H MET B 3 15.175 3.038 9.419 1.00 0.00 H new ATOM 0 HA MET B 3 13.940 5.252 10.663 1.00 0.00 H new ATOM 0 HB2 MET B 3 15.954 3.179 11.602 1.00 0.00 H new ATOM 0 HB3 MET B 3 15.347 4.435 12.663 1.00 0.00 H new ATOM 0 HG2 MET B 3 13.958 2.620 13.127 1.00 0.00 H new ATOM 0 HG3 MET B 3 12.991 3.615 12.056 1.00 0.00 H new ATOM 0 HE1 MET B 3 15.431 0.012 10.783 1.00 0.00 H new ATOM 0 HE2 MET B 3 15.574 0.984 12.267 1.00 0.00 H new ATOM 0 HE3 MET B 3 14.439 -0.385 12.207 1.00 0.00 H new ATOM 1132 N ALA B 4 15.694 6.977 11.226 1.00 0.00 N ATOM 1133 CA ALA B 4 16.636 8.058 11.501 1.00 0.00 C ATOM 1134 C ALA B 4 17.528 7.751 12.728 1.00 0.00 C ATOM 1135 O ALA B 4 17.407 6.698 13.369 1.00 0.00 O ATOM 1136 CB ALA B 4 15.811 9.345 11.678 1.00 0.00 C ATOM 0 H ALA B 4 14.758 7.166 11.584 1.00 0.00 H new ATOM 0 HA ALA B 4 17.333 8.176 10.672 1.00 0.00 H new ATOM 0 HB1 ALA B 4 16.480 10.180 11.886 1.00 0.00 H new ATOM 0 HB2 ALA B 4 15.251 9.547 10.765 1.00 0.00 H new ATOM 0 HB3 ALA B 4 15.117 9.221 12.509 1.00 0.00 H new ATOM 1142 N LYS B 5 18.387 8.705 13.099 1.00 0.00 N ATOM 1143 CA LYS B 5 19.080 8.776 14.398 1.00 0.00 C ATOM 1144 C LYS B 5 18.899 10.152 15.045 1.00 0.00 C ATOM 1145 O LYS B 5 18.847 11.168 14.351 1.00 0.00 O ATOM 1146 CB LYS B 5 20.555 8.357 14.260 1.00 0.00 C ATOM 1147 CG LYS B 5 21.394 9.260 13.338 1.00 0.00 C ATOM 1148 CD LYS B 5 22.826 8.715 13.218 1.00 0.00 C ATOM 1149 CE LYS B 5 23.656 9.597 12.274 1.00 0.00 C ATOM 1150 NZ LYS B 5 25.029 9.059 12.087 1.00 0.00 N1+ ATOM 0 H LYS B 5 18.631 9.480 12.483 1.00 0.00 H new ATOM 0 HA LYS B 5 18.621 8.059 15.078 1.00 0.00 H new ATOM 0 HB2 LYS B 5 21.011 8.348 15.250 1.00 0.00 H new ATOM 0 HB3 LYS B 5 20.595 7.336 13.881 1.00 0.00 H new ATOM 0 HG2 LYS B 5 20.933 9.312 12.351 1.00 0.00 H new ATOM 0 HG3 LYS B 5 21.416 10.275 13.734 1.00 0.00 H new ATOM 0 HD2 LYS B 5 23.294 8.684 14.202 1.00 0.00 H new ATOM 0 HD3 LYS B 5 22.802 7.692 12.843 1.00 0.00 H new ATOM 0 HE2 LYS B 5 23.157 9.666 11.307 1.00 0.00 H new ATOM 0 HE3 LYS B 5 23.713 10.608 12.676 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 25.561 9.680 11.444 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 25.513 9.017 13.006 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 24.975 8.104 11.680 1.00 0.00 H new ATOM 1164 N VAL B 6 18.785 10.178 16.372 1.00 0.00 N ATOM 1165 CA VAL B 6 18.601 11.401 17.176 1.00 0.00 C ATOM 1166 C VAL B 6 19.928 11.833 17.798 1.00 0.00 C ATOM 1167 O VAL B 6 20.697 10.985 18.256 1.00 0.00 O ATOM 1168 CB VAL B 6 17.521 11.203 18.271 1.00 0.00 C ATOM 1169 CG1 VAL B 6 17.191 12.499 19.014 1.00 0.00 C ATOM 1170 CG2 VAL B 6 16.212 10.649 17.692 1.00 0.00 C ATOM 0 H VAL B 6 18.818 9.331 16.939 1.00 0.00 H new ATOM 0 HA VAL B 6 18.253 12.191 16.510 1.00 0.00 H new ATOM 0 HB VAL B 6 17.955 10.487 18.968 1.00 0.00 H new ATOM 0 HG11 VAL B 6 16.430 12.302 19.769 1.00 0.00 H new ATOM 0 HG12 VAL B 6 18.091 12.881 19.497 1.00 0.00 H new ATOM 0 HG13 VAL B 6 16.817 13.239 18.306 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.483 10.526 18.493 1.00 0.00 H new ATOM 0 HG22 VAL B 6 15.820 11.343 16.949 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.402 9.684 17.222 1.00 0.00 H new ATOM 1180 N VAL B 7 20.176 13.142 17.871 1.00 0.00 N ATOM 1181 CA VAL B 7 21.280 13.769 18.607 1.00 0.00 C ATOM 1182 C VAL B 7 20.779 14.961 19.427 1.00 0.00 C ATOM 1183 O VAL B 7 19.891 15.698 18.993 1.00 0.00 O ATOM 1184 CB VAL B 7 22.445 14.130 17.665 1.00 0.00 C ATOM 1185 CG1 VAL B 7 22.050 15.137 16.569 1.00 0.00 C ATOM 1186 CG2 VAL B 7 23.648 14.712 18.417 1.00 0.00 C ATOM 0 H VAL B 7 19.587 13.827 17.398 1.00 0.00 H new ATOM 0 HA VAL B 7 21.679 13.047 19.319 1.00 0.00 H new ATOM 0 HB VAL B 7 22.716 13.181 17.202 1.00 0.00 H new ATOM 0 HG11 VAL B 7 22.915 15.349 15.940 1.00 0.00 H new ATOM 0 HG12 VAL B 7 21.252 14.715 15.958 1.00 0.00 H new ATOM 0 HG13 VAL B 7 21.703 16.061 17.032 1.00 0.00 H new ATOM 0 HG21 VAL B 7 24.441 14.949 17.707 1.00 0.00 H new ATOM 0 HG22 VAL B 7 23.346 15.619 18.940 1.00 0.00 H new ATOM 0 HG23 VAL B 7 24.014 13.982 19.139 1.00 0.00 H new ATOM 1196 N LEU B 8 21.351 15.153 20.618 1.00 0.00 N ATOM 1197 CA LEU B 8 21.075 16.271 21.529 1.00 0.00 C ATOM 1198 C LEU B 8 22.370 16.806 22.147 1.00 0.00 C ATOM 1199 O LEU B 8 23.315 16.043 22.359 1.00 0.00 O ATOM 1200 CB LEU B 8 20.029 15.842 22.577 1.00 0.00 C ATOM 1201 CG LEU B 8 20.514 14.800 23.607 1.00 0.00 C ATOM 1202 CD1 LEU B 8 21.000 15.443 24.911 1.00 0.00 C ATOM 1203 CD2 LEU B 8 19.395 13.823 23.960 1.00 0.00 C ATOM 0 H LEU B 8 22.048 14.508 20.991 1.00 0.00 H new ATOM 0 HA LEU B 8 20.647 17.104 20.971 1.00 0.00 H new ATOM 0 HB2 LEU B 8 19.692 16.729 23.114 1.00 0.00 H new ATOM 0 HB3 LEU B 8 19.162 15.436 22.056 1.00 0.00 H new ATOM 0 HG LEU B 8 21.348 14.281 23.134 1.00 0.00 H new ATOM 0 HD11 LEU B 8 21.330 14.665 25.600 1.00 0.00 H new ATOM 0 HD12 LEU B 8 21.832 16.115 24.698 1.00 0.00 H new ATOM 0 HD13 LEU B 8 20.185 16.007 25.364 1.00 0.00 H new ATOM 0 HD21 LEU B 8 19.761 13.098 24.687 1.00 0.00 H new ATOM 0 HD22 LEU B 8 18.554 14.371 24.385 1.00 0.00 H new ATOM 0 HD23 LEU B 8 19.070 13.301 23.060 1.00 0.00 H new ATOM 1215 N THR B 9 22.391 18.099 22.488 1.00 0.00 N ATOM 1216 CA THR B 9 23.530 18.760 23.155 1.00 0.00 C ATOM 1217 C THR B 9 23.169 19.145 24.595 1.00 0.00 C ATOM 1218 O THR B 9 22.144 19.788 24.839 1.00 0.00 O ATOM 1219 CB THR B 9 24.021 19.989 22.375 1.00 0.00 C ATOM 1220 OG1 THR B 9 24.192 19.688 21.002 1.00 0.00 O ATOM 1221 CG2 THR B 9 25.387 20.482 22.863 1.00 0.00 C ATOM 0 H THR B 9 21.609 18.729 22.308 1.00 0.00 H new ATOM 0 HA THR B 9 24.349 18.041 23.180 1.00 0.00 H new ATOM 0 HB THR B 9 23.257 20.751 22.533 1.00 0.00 H new ATOM 0 HG1 THR B 9 24.503 20.487 20.528 1.00 0.00 H new ATOM 0 HG21 THR B 9 25.689 21.352 22.280 1.00 0.00 H new ATOM 0 HG22 THR B 9 25.320 20.756 23.916 1.00 0.00 H new ATOM 0 HG23 THR B 9 26.125 19.689 22.741 1.00 0.00 H new ATOM 1229 N LYS B 10 24.019 18.751 25.548 1.00 0.00 N ATOM 1230 CA LYS B 10 23.895 19.017 26.990 1.00 0.00 C ATOM 1231 C LYS B 10 24.356 20.434 27.375 1.00 0.00 C ATOM 1232 O LYS B 10 25.098 21.088 26.638 1.00 0.00 O ATOM 1233 CB LYS B 10 24.747 17.991 27.757 1.00 0.00 C ATOM 1234 CG LYS B 10 24.297 16.529 27.581 1.00 0.00 C ATOM 1235 CD LYS B 10 25.138 15.590 28.459 1.00 0.00 C ATOM 1236 CE LYS B 10 26.575 15.445 27.943 1.00 0.00 C ATOM 1237 NZ LYS B 10 27.501 15.017 29.019 1.00 0.00 N1+ ATOM 0 H LYS B 10 24.855 18.211 25.327 1.00 0.00 H new ATOM 0 HA LYS B 10 22.840 18.935 27.250 1.00 0.00 H new ATOM 0 HB2 LYS B 10 25.783 18.081 27.430 1.00 0.00 H new ATOM 0 HB3 LYS B 10 24.725 18.240 28.818 1.00 0.00 H new ATOM 0 HG2 LYS B 10 23.244 16.434 27.844 1.00 0.00 H new ATOM 0 HG3 LYS B 10 24.392 16.238 26.535 1.00 0.00 H new ATOM 0 HD2 LYS B 10 25.157 15.971 29.480 1.00 0.00 H new ATOM 0 HD3 LYS B 10 24.666 14.608 28.494 1.00 0.00 H new ATOM 0 HE2 LYS B 10 26.599 14.718 27.131 1.00 0.00 H new ATOM 0 HE3 LYS B 10 26.911 16.396 27.530 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 28.380 14.654 28.597 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 27.720 15.828 29.631 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 27.053 14.268 29.584 1.00 0.00 H new ATOM 1251 N ALA B 11 23.993 20.871 28.586 1.00 0.00 N ATOM 1252 CA ALA B 11 24.438 22.138 29.179 1.00 0.00 C ATOM 1253 C ALA B 11 25.962 22.205 29.439 1.00 0.00 C ATOM 1254 O ALA B 11 26.540 23.294 29.435 1.00 0.00 O ATOM 1255 CB ALA B 11 23.651 22.350 30.475 1.00 0.00 C ATOM 0 H ALA B 11 23.368 20.342 29.195 1.00 0.00 H new ATOM 0 HA ALA B 11 24.242 22.936 28.463 1.00 0.00 H new ATOM 0 HB1 ALA B 11 23.961 23.286 30.940 1.00 0.00 H new ATOM 0 HB2 ALA B 11 22.585 22.391 30.251 1.00 0.00 H new ATOM 0 HB3 ALA B 11 23.846 21.524 31.159 1.00 0.00 H new ATOM 1261 N ASP B 12 26.628 21.059 29.624 1.00 0.00 N ATOM 1262 CA ASP B 12 28.090 20.954 29.787 1.00 0.00 C ATOM 1263 C ASP B 12 28.874 21.016 28.451 1.00 0.00 C ATOM 1264 O ASP B 12 30.108 20.952 28.447 1.00 0.00 O ATOM 1265 CB ASP B 12 28.429 19.695 30.606 1.00 0.00 C ATOM 1266 CG ASP B 12 28.131 18.348 29.930 1.00 0.00 C ATOM 1267 OD1 ASP B 12 27.939 18.291 28.695 1.00 0.00 O ATOM 1268 OD2 ASP B 12 28.099 17.309 30.634 1.00 0.00 O1- ATOM 0 H ASP B 12 26.157 20.155 29.666 1.00 0.00 H new ATOM 0 HA ASP B 12 28.421 21.835 30.336 1.00 0.00 H new ATOM 0 HB2 ASP B 12 29.489 19.725 30.858 1.00 0.00 H new ATOM 0 HB3 ASP B 12 27.877 19.737 31.545 1.00 0.00 H new ATOM 1273 N GLY B 13 28.181 21.144 27.316 1.00 0.00 N ATOM 1274 CA GLY B 13 28.747 21.209 25.960 1.00 0.00 C ATOM 1275 C GLY B 13 29.002 19.856 25.281 1.00 0.00 C ATOM 1276 O GLY B 13 29.353 19.829 24.094 1.00 0.00 O ATOM 0 H GLY B 13 27.163 21.208 27.314 1.00 0.00 H new ATOM 0 HA2 GLY B 13 28.071 21.789 25.331 1.00 0.00 H new ATOM 0 HA3 GLY B 13 29.689 21.756 26.005 1.00 0.00 H new ATOM 1280 N GLY B 14 28.808 18.733 25.981 1.00 0.00 N ATOM 1281 CA GLY B 14 28.840 17.381 25.411 1.00 0.00 C ATOM 1282 C GLY B 14 27.558 17.013 24.645 1.00 0.00 C ATOM 1283 O GLY B 14 26.554 17.730 24.706 1.00 0.00 O ATOM 0 H GLY B 14 28.620 18.739 26.983 1.00 0.00 H new ATOM 0 HA2 GLY B 14 29.693 17.298 24.738 1.00 0.00 H new ATOM 0 HA3 GLY B 14 28.995 16.660 26.213 1.00 0.00 H new ATOM 1287 N ARG B 15 27.577 15.878 23.936 1.00 0.00 N ATOM 1288 CA ARG B 15 26.451 15.368 23.125 1.00 0.00 C ATOM 1289 C ARG B 15 26.096 13.911 23.438 1.00 0.00 C ATOM 1290 O ARG B 15 26.940 13.144 23.910 1.00 0.00 O ATOM 1291 CB ARG B 15 26.727 15.580 21.623 1.00 0.00 C ATOM 1292 CG ARG B 15 26.565 17.050 21.219 1.00 0.00 C ATOM 1293 CD ARG B 15 26.760 17.258 19.715 1.00 0.00 C ATOM 1294 NE ARG B 15 26.297 18.605 19.341 1.00 0.00 N ATOM 1295 CZ ARG B 15 26.565 19.289 18.243 1.00 0.00 C ATOM 1296 NH1 ARG B 15 27.351 18.831 17.309 1.00 0.00 N1+ ATOM 1297 NH2 ARG B 15 26.029 20.463 18.072 1.00 0.00 N ATOM 0 H ARG B 15 28.395 15.269 23.906 1.00 0.00 H new ATOM 0 HA ARG B 15 25.571 15.950 23.400 1.00 0.00 H new ATOM 0 HB2 ARG B 15 27.738 15.247 21.388 1.00 0.00 H new ATOM 0 HB3 ARG B 15 26.045 14.964 21.037 1.00 0.00 H new ATOM 0 HG2 ARG B 15 25.573 17.398 21.507 1.00 0.00 H new ATOM 0 HG3 ARG B 15 27.287 17.657 21.765 1.00 0.00 H new ATOM 0 HD2 ARG B 15 27.811 17.138 19.454 1.00 0.00 H new ATOM 0 HD3 ARG B 15 26.205 16.503 19.158 1.00 0.00 H new ATOM 0 HE ARG B 15 25.691 19.070 20.017 1.00 0.00 H new ATOM 0 HH11 ARG B 15 27.784 17.913 17.412 1.00 0.00 H new ATOM 0 HH12 ARG B 15 27.533 19.390 16.476 1.00 0.00 H new ATOM 0 HH21 ARG B 15 25.407 20.848 18.783 1.00 0.00 H new ATOM 0 HH22 ARG B 15 26.231 20.998 17.227 1.00 0.00 H new ATOM 1311 N VAL B 16 24.836 13.557 23.181 1.00 0.00 N ATOM 1312 CA VAL B 16 24.245 12.221 23.388 1.00 0.00 C ATOM 1313 C VAL B 16 23.434 11.824 22.150 1.00 0.00 C ATOM 1314 O VAL B 16 22.785 12.676 21.537 1.00 0.00 O ATOM 1315 CB VAL B 16 23.388 12.174 24.674 1.00 0.00 C ATOM 1316 CG1 VAL B 16 22.828 10.773 24.964 1.00 0.00 C ATOM 1317 CG2 VAL B 16 24.179 12.632 25.908 1.00 0.00 C ATOM 0 H VAL B 16 24.161 14.222 22.804 1.00 0.00 H new ATOM 0 HA VAL B 16 25.048 11.497 23.525 1.00 0.00 H new ATOM 0 HB VAL B 16 22.561 12.858 24.486 1.00 0.00 H new ATOM 0 HG11 VAL B 16 22.235 10.800 25.878 1.00 0.00 H new ATOM 0 HG12 VAL B 16 22.199 10.453 24.133 1.00 0.00 H new ATOM 0 HG13 VAL B 16 23.652 10.070 25.087 1.00 0.00 H new ATOM 0 HG21 VAL B 16 23.539 12.583 26.789 1.00 0.00 H new ATOM 0 HG22 VAL B 16 25.042 11.981 26.050 1.00 0.00 H new ATOM 0 HG23 VAL B 16 24.519 13.657 25.762 1.00 0.00 H new ATOM 1327 N GLU B 17 23.449 10.536 21.775 1.00 0.00 N ATOM 1328 CA GLU B 17 22.794 10.025 20.563 1.00 0.00 C ATOM 1329 C GLU B 17 21.907 8.793 20.836 1.00 0.00 C ATOM 1330 O GLU B 17 22.205 7.982 21.719 1.00 0.00 O ATOM 1331 CB GLU B 17 23.827 9.680 19.472 1.00 0.00 C ATOM 1332 CG GLU B 17 24.717 10.853 19.027 1.00 0.00 C ATOM 1333 CD GLU B 17 25.933 11.109 19.940 1.00 0.00 C ATOM 1334 OE1 GLU B 17 26.600 10.143 20.387 1.00 0.00 O ATOM 1335 OE2 GLU B 17 26.257 12.296 20.186 1.00 0.00 O1- ATOM 0 H GLU B 17 23.923 9.811 22.313 1.00 0.00 H new ATOM 0 HA GLU B 17 22.149 10.830 20.212 1.00 0.00 H new ATOM 0 HB2 GLU B 17 24.466 8.877 19.839 1.00 0.00 H new ATOM 0 HB3 GLU B 17 23.298 9.294 18.601 1.00 0.00 H new ATOM 0 HG2 GLU B 17 25.072 10.661 18.014 1.00 0.00 H new ATOM 0 HG3 GLU B 17 24.111 11.758 18.986 1.00 0.00 H new ATOM 1342 N ILE B 18 20.855 8.628 20.022 1.00 0.00 N ATOM 1343 CA ILE B 18 19.963 7.458 20.003 1.00 0.00 C ATOM 1344 C ILE B 18 19.768 7.014 18.546 1.00 0.00 C ATOM 1345 O ILE B 18 19.097 7.687 17.762 1.00 0.00 O ATOM 1346 CB ILE B 18 18.614 7.738 20.722 1.00 0.00 C ATOM 1347 CG1 ILE B 18 18.796 8.142 22.204 1.00 0.00 C ATOM 1348 CG2 ILE B 18 17.710 6.495 20.663 1.00 0.00 C ATOM 1349 CD1 ILE B 18 18.839 9.665 22.429 1.00 0.00 C ATOM 0 H ILE B 18 20.591 9.332 19.332 1.00 0.00 H new ATOM 0 HA ILE B 18 20.424 6.645 20.564 1.00 0.00 H new ATOM 0 HB ILE B 18 18.156 8.575 20.196 1.00 0.00 H new ATOM 0 HG12 ILE B 18 17.979 7.720 22.790 1.00 0.00 H new ATOM 0 HG13 ILE B 18 19.719 7.702 22.581 1.00 0.00 H new ATOM 0 HG21 ILE B 18 16.769 6.705 21.170 1.00 0.00 H new ATOM 0 HG22 ILE B 18 17.512 6.238 19.622 1.00 0.00 H new ATOM 0 HG23 ILE B 18 18.208 5.659 21.154 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.969 9.872 23.491 1.00 0.00 H new ATOM 0 HD12 ILE B 18 19.673 10.092 21.872 1.00 0.00 H new ATOM 0 HD13 ILE B 18 17.906 10.110 22.084 1.00 0.00 H new ATOM 1361 N GLY B 19 20.380 5.888 18.168 1.00 0.00 N ATOM 1362 CA GLY B 19 20.310 5.328 16.813 1.00 0.00 C ATOM 1363 C GLY B 19 19.032 4.534 16.532 1.00 0.00 C ATOM 1364 O GLY B 19 18.390 4.021 17.450 1.00 0.00 O ATOM 0 H GLY B 19 20.948 5.330 18.805 1.00 0.00 H new ATOM 0 HA2 GLY B 19 20.387 6.141 16.091 1.00 0.00 H new ATOM 0 HA3 GLY B 19 21.171 4.679 16.655 1.00 0.00 H new ATOM 1368 N ASP B 20 18.676 4.412 15.247 1.00 0.00 N ATOM 1369 CA ASP B 20 17.562 3.600 14.725 1.00 0.00 C ATOM 1370 C ASP B 20 16.203 3.896 15.412 1.00 0.00 C ATOM 1371 O ASP B 20 15.464 2.994 15.825 1.00 0.00 O ATOM 1372 CB ASP B 20 17.927 2.101 14.695 1.00 0.00 C ATOM 1373 CG ASP B 20 19.196 1.768 13.890 1.00 0.00 C ATOM 1374 OD1 ASP B 20 19.579 2.531 12.970 1.00 0.00 O ATOM 1375 OD2 ASP B 20 19.808 0.709 14.158 1.00 0.00 O1- ATOM 0 H ASP B 20 19.179 4.899 14.505 1.00 0.00 H new ATOM 0 HA ASP B 20 17.407 3.906 13.690 1.00 0.00 H new ATOM 0 HB2 ASP B 20 18.060 1.752 15.719 1.00 0.00 H new ATOM 0 HB3 ASP B 20 17.089 1.545 14.275 1.00 0.00 H new ATOM 1380 N VAL B 21 15.886 5.187 15.563 1.00 0.00 N ATOM 1381 CA VAL B 21 14.652 5.664 16.203 1.00 0.00 C ATOM 1382 C VAL B 21 13.415 5.323 15.356 1.00 0.00 C ATOM 1383 O VAL B 21 13.382 5.578 14.151 1.00 0.00 O ATOM 1384 CB VAL B 21 14.765 7.163 16.562 1.00 0.00 C ATOM 1385 CG1 VAL B 21 14.843 8.115 15.363 1.00 0.00 C ATOM 1386 CG2 VAL B 21 13.598 7.642 17.431 1.00 0.00 C ATOM 0 H VAL B 21 16.489 5.943 15.239 1.00 0.00 H new ATOM 0 HA VAL B 21 14.517 5.134 17.146 1.00 0.00 H new ATOM 0 HB VAL B 21 15.711 7.207 17.102 1.00 0.00 H new ATOM 0 HG11 VAL B 21 14.920 9.142 15.719 1.00 0.00 H new ATOM 0 HG12 VAL B 21 15.719 7.872 14.762 1.00 0.00 H new ATOM 0 HG13 VAL B 21 13.945 8.008 14.754 1.00 0.00 H new ATOM 0 HG21 VAL B 21 13.723 8.701 17.656 1.00 0.00 H new ATOM 0 HG22 VAL B 21 12.660 7.493 16.895 1.00 0.00 H new ATOM 0 HG23 VAL B 21 13.579 7.073 18.361 1.00 0.00 H new ATOM 1396 N LEU B 22 12.389 4.731 15.982 1.00 0.00 N ATOM 1397 CA LEU B 22 11.067 4.470 15.392 1.00 0.00 C ATOM 1398 C LEU B 22 10.123 5.669 15.552 1.00 0.00 C ATOM 1399 O LEU B 22 9.295 5.920 14.682 1.00 0.00 O ATOM 1400 CB LEU B 22 10.429 3.239 16.064 1.00 0.00 C ATOM 1401 CG LEU B 22 11.128 1.890 15.804 1.00 0.00 C ATOM 1402 CD1 LEU B 22 10.373 0.807 16.578 1.00 0.00 C ATOM 1403 CD2 LEU B 22 11.115 1.503 14.328 1.00 0.00 C ATOM 0 H LEU B 22 12.458 4.409 16.947 1.00 0.00 H new ATOM 0 HA LEU B 22 11.215 4.289 14.327 1.00 0.00 H new ATOM 0 HB2 LEU B 22 10.402 3.410 17.140 1.00 0.00 H new ATOM 0 HB3 LEU B 22 9.395 3.161 15.728 1.00 0.00 H new ATOM 0 HG LEU B 22 12.166 1.984 16.122 1.00 0.00 H new ATOM 0 HD11 LEU B 22 10.849 -0.159 16.410 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.392 1.041 17.643 1.00 0.00 H new ATOM 0 HD13 LEU B 22 9.340 0.767 16.233 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.620 0.546 14.198 1.00 0.00 H new ATOM 0 HD22 LEU B 22 10.084 1.420 13.983 1.00 0.00 H new ATOM 0 HD23 LEU B 22 11.632 2.267 13.747 1.00 0.00 H new ATOM 1415 N GLU B 23 10.246 6.417 16.653 1.00 0.00 N ATOM 1416 CA GLU B 23 9.435 7.605 16.937 1.00 0.00 C ATOM 1417 C GLU B 23 10.144 8.575 17.890 1.00 0.00 C ATOM 1418 O GLU B 23 10.803 8.152 18.838 1.00 0.00 O ATOM 1419 CB GLU B 23 8.080 7.163 17.509 1.00 0.00 C ATOM 1420 CG GLU B 23 7.125 8.328 17.796 1.00 0.00 C ATOM 1421 CD GLU B 23 5.714 7.852 18.167 1.00 0.00 C ATOM 1422 OE1 GLU B 23 5.541 6.679 18.584 1.00 0.00 O ATOM 1423 OE2 GLU B 23 4.767 8.664 18.079 1.00 0.00 O1- ATOM 0 H GLU B 23 10.925 6.210 17.386 1.00 0.00 H new ATOM 0 HA GLU B 23 9.280 8.148 16.004 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.604 6.479 16.806 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.248 6.607 18.431 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.527 8.932 18.610 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.069 8.972 16.919 1.00 0.00 H new ATOM 1430 N VAL B 24 9.970 9.878 17.667 1.00 0.00 N ATOM 1431 CA VAL B 24 10.405 10.969 18.560 1.00 0.00 C ATOM 1432 C VAL B 24 9.242 11.940 18.781 1.00 0.00 C ATOM 1433 O VAL B 24 8.509 12.238 17.839 1.00 0.00 O ATOM 1434 CB VAL B 24 11.675 11.659 18.028 1.00 0.00 C ATOM 1435 CG1 VAL B 24 11.512 12.216 16.612 1.00 0.00 C ATOM 1436 CG2 VAL B 24 12.160 12.796 18.938 1.00 0.00 C ATOM 0 H VAL B 24 9.504 10.223 16.828 1.00 0.00 H new ATOM 0 HA VAL B 24 10.682 10.557 19.530 1.00 0.00 H new ATOM 0 HB VAL B 24 12.420 10.864 18.012 1.00 0.00 H new ATOM 0 HG11 VAL B 24 12.442 12.689 16.298 1.00 0.00 H new ATOM 0 HG12 VAL B 24 11.268 11.404 15.927 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.709 12.953 16.601 1.00 0.00 H new ATOM 0 HG21 VAL B 24 13.058 13.245 18.513 1.00 0.00 H new ATOM 0 HG22 VAL B 24 11.380 13.553 19.021 1.00 0.00 H new ATOM 0 HG23 VAL B 24 12.387 12.399 19.927 1.00 0.00 H new ATOM 1446 N ARG B 25 9.047 12.416 20.014 1.00 0.00 N ATOM 1447 CA ARG B 25 7.868 13.201 20.444 1.00 0.00 C ATOM 1448 C ARG B 25 8.298 14.392 21.294 1.00 0.00 C ATOM 1449 O ARG B 25 9.014 14.192 22.270 1.00 0.00 O ATOM 1450 CB ARG B 25 6.894 12.315 21.264 1.00 0.00 C ATOM 1451 CG ARG B 25 6.637 10.908 20.699 1.00 0.00 C ATOM 1452 CD ARG B 25 5.644 10.144 21.589 1.00 0.00 C ATOM 1453 NE ARG B 25 5.647 8.706 21.256 1.00 0.00 N ATOM 1454 CZ ARG B 25 6.397 7.761 21.799 1.00 0.00 C ATOM 1455 NH1 ARG B 25 7.115 7.955 22.870 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 25 6.439 6.586 21.256 1.00 0.00 N ATOM 0 H ARG B 25 9.718 12.266 20.767 1.00 0.00 H new ATOM 0 HA ARG B 25 7.361 13.562 19.549 1.00 0.00 H new ATOM 0 HB2 ARG B 25 7.288 12.214 22.275 1.00 0.00 H new ATOM 0 HB3 ARG B 25 5.939 12.835 21.344 1.00 0.00 H new ATOM 0 HG2 ARG B 25 6.243 10.983 19.686 1.00 0.00 H new ATOM 0 HG3 ARG B 25 7.576 10.358 20.636 1.00 0.00 H new ATOM 0 HD2 ARG B 25 5.908 10.280 22.638 1.00 0.00 H new ATOM 0 HD3 ARG B 25 4.642 10.551 21.457 1.00 0.00 H new ATOM 0 HE ARG B 25 4.999 8.408 20.527 1.00 0.00 H new ATOM 0 HH11 ARG B 25 7.114 8.867 23.326 1.00 0.00 H new ATOM 0 HH12 ARG B 25 7.678 7.195 23.251 1.00 0.00 H new ATOM 0 HH21 ARG B 25 5.896 6.393 20.414 1.00 0.00 H new ATOM 0 HH22 ARG B 25 7.015 5.853 21.670 1.00 0.00 H new ATOM 1470 N ALA B 26 7.844 15.605 20.972 1.00 0.00 N ATOM 1471 CA ALA B 26 8.037 16.815 21.772 1.00 0.00 C ATOM 1472 C ALA B 26 6.714 17.182 22.468 1.00 0.00 C ATOM 1473 O ALA B 26 5.757 17.612 21.820 1.00 0.00 O ATOM 1474 CB ALA B 26 8.566 17.929 20.869 1.00 0.00 C ATOM 0 H ALA B 26 7.314 15.777 20.118 1.00 0.00 H new ATOM 0 HA ALA B 26 8.776 16.654 22.557 1.00 0.00 H new ATOM 0 HB1 ALA B 26 8.713 18.835 21.457 1.00 0.00 H new ATOM 0 HB2 ALA B 26 9.516 17.622 20.431 1.00 0.00 H new ATOM 0 HB3 ALA B 26 7.847 18.125 20.074 1.00 0.00 H new ATOM 1480 N GLU B 27 6.642 16.981 23.786 1.00 0.00 N ATOM 1481 CA GLU B 27 5.409 17.124 24.578 1.00 0.00 C ATOM 1482 C GLU B 27 5.713 17.359 26.067 1.00 0.00 C ATOM 1483 O GLU B 27 6.700 16.845 26.597 1.00 0.00 O ATOM 1484 CB GLU B 27 4.532 15.874 24.372 1.00 0.00 C ATOM 1485 CG GLU B 27 3.167 15.868 25.075 1.00 0.00 C ATOM 1486 CD GLU B 27 2.247 17.031 24.649 1.00 0.00 C ATOM 1487 OE1 GLU B 27 2.481 18.183 25.081 1.00 0.00 O ATOM 1488 OE2 GLU B 27 1.267 16.795 23.902 1.00 0.00 O1- ATOM 0 H GLU B 27 7.450 16.710 24.346 1.00 0.00 H new ATOM 0 HA GLU B 27 4.866 18.004 24.232 1.00 0.00 H new ATOM 0 HB2 GLU B 27 4.365 15.748 23.302 1.00 0.00 H new ATOM 0 HB3 GLU B 27 5.094 15.004 24.712 1.00 0.00 H new ATOM 0 HG2 GLU B 27 2.665 14.923 24.867 1.00 0.00 H new ATOM 0 HG3 GLU B 27 3.323 15.915 26.153 1.00 0.00 H new ATOM 1495 N GLY B 28 4.873 18.134 26.762 1.00 0.00 N ATOM 1496 CA GLY B 28 4.959 18.362 28.209 1.00 0.00 C ATOM 1497 C GLY B 28 6.222 19.096 28.687 1.00 0.00 C ATOM 1498 O GLY B 28 6.641 18.913 29.833 1.00 0.00 O ATOM 0 H GLY B 28 4.097 18.631 26.325 1.00 0.00 H new ATOM 0 HA2 GLY B 28 4.086 18.935 28.522 1.00 0.00 H new ATOM 0 HA3 GLY B 28 4.906 17.398 28.715 1.00 0.00 H new ATOM 1502 N GLY B 29 6.872 19.878 27.815 1.00 0.00 N ATOM 1503 CA GLY B 29 8.164 20.527 28.092 1.00 0.00 C ATOM 1504 C GLY B 29 9.373 19.585 28.009 1.00 0.00 C ATOM 1505 O GLY B 29 10.418 19.879 28.595 1.00 0.00 O ATOM 0 H GLY B 29 6.511 20.082 26.883 1.00 0.00 H new ATOM 0 HA2 GLY B 29 8.306 21.345 27.385 1.00 0.00 H new ATOM 0 HA3 GLY B 29 8.130 20.969 29.088 1.00 0.00 H new ATOM 1509 N ALA B 30 9.243 18.440 27.332 1.00 0.00 N ATOM 1510 CA ALA B 30 10.264 17.400 27.197 1.00 0.00 C ATOM 1511 C ALA B 30 10.282 16.770 25.794 1.00 0.00 C ATOM 1512 O ALA B 30 9.335 16.923 25.015 1.00 0.00 O ATOM 1513 CB ALA B 30 9.990 16.330 28.271 1.00 0.00 C ATOM 0 H ALA B 30 8.381 18.203 26.840 1.00 0.00 H new ATOM 0 HA ALA B 30 11.248 17.848 27.337 1.00 0.00 H new ATOM 0 HB1 ALA B 30 10.736 15.539 28.196 1.00 0.00 H new ATOM 0 HB2 ALA B 30 10.042 16.785 29.260 1.00 0.00 H new ATOM 0 HB3 ALA B 30 8.997 15.907 28.118 1.00 0.00 H new ATOM 1519 N VAL B 31 11.335 16.007 25.489 1.00 0.00 N ATOM 1520 CA VAL B 31 11.364 15.084 24.338 1.00 0.00 C ATOM 1521 C VAL B 31 11.454 13.627 24.789 1.00 0.00 C ATOM 1522 O VAL B 31 12.237 13.301 25.685 1.00 0.00 O ATOM 1523 CB VAL B 31 12.473 15.448 23.325 1.00 0.00 C ATOM 1524 CG1 VAL B 31 12.592 14.415 22.196 1.00 0.00 C ATOM 1525 CG2 VAL B 31 12.184 16.804 22.666 1.00 0.00 C ATOM 0 H VAL B 31 12.198 16.008 26.032 1.00 0.00 H new ATOM 0 HA VAL B 31 10.416 15.200 23.812 1.00 0.00 H new ATOM 0 HB VAL B 31 13.401 15.476 23.896 1.00 0.00 H new ATOM 0 HG11 VAL B 31 13.384 14.715 21.510 1.00 0.00 H new ATOM 0 HG12 VAL B 31 12.829 13.439 22.619 1.00 0.00 H new ATOM 0 HG13 VAL B 31 11.647 14.356 21.655 1.00 0.00 H new ATOM 0 HG21 VAL B 31 12.977 17.040 21.957 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.230 16.757 22.141 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.139 17.578 23.432 1.00 0.00 H new ATOM 1535 N ARG B 32 10.681 12.748 24.141 1.00 0.00 N ATOM 1536 CA ARG B 32 10.772 11.283 24.252 1.00 0.00 C ATOM 1537 C ARG B 32 11.205 10.653 22.928 1.00 0.00 C ATOM 1538 O ARG B 32 10.896 11.184 21.864 1.00 0.00 O ATOM 1539 CB ARG B 32 9.424 10.696 24.703 1.00 0.00 C ATOM 1540 CG ARG B 32 9.194 10.869 26.212 1.00 0.00 C ATOM 1541 CD ARG B 32 7.789 10.419 26.638 1.00 0.00 C ATOM 1542 NE ARG B 32 7.531 8.983 26.382 1.00 0.00 N ATOM 1543 CZ ARG B 32 6.434 8.320 26.708 1.00 0.00 C ATOM 1544 NH1 ARG B 32 5.440 8.880 27.339 1.00 0.00 N1+ ATOM 1545 NH2 ARG B 32 6.307 7.068 26.382 1.00 0.00 N ATOM 0 H ARG B 32 9.946 13.046 23.500 1.00 0.00 H new ATOM 0 HA ARG B 32 11.529 11.050 25.001 1.00 0.00 H new ATOM 0 HB2 ARG B 32 8.616 11.182 24.156 1.00 0.00 H new ATOM 0 HB3 ARG B 32 9.388 9.636 24.450 1.00 0.00 H new ATOM 0 HG2 ARG B 32 9.940 10.294 26.760 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.336 11.915 26.482 1.00 0.00 H new ATOM 0 HD2 ARG B 32 7.657 10.621 27.701 1.00 0.00 H new ATOM 0 HD3 ARG B 32 7.047 11.015 26.106 1.00 0.00 H new ATOM 0 HE ARG B 32 8.267 8.457 25.911 1.00 0.00 H new ATOM 0 HH11 ARG B 32 5.491 9.865 27.600 1.00 0.00 H new ATOM 0 HH12 ARG B 32 4.611 8.333 27.572 1.00 0.00 H new ATOM 0 HH21 ARG B 32 7.054 6.595 25.874 1.00 0.00 H new ATOM 0 HH22 ARG B 32 5.460 6.559 26.634 1.00 0.00 H new ATOM 1559 N VAL B 33 11.868 9.496 22.995 1.00 0.00 N ATOM 1560 CA VAL B 33 12.314 8.689 21.835 1.00 0.00 C ATOM 1561 C VAL B 33 12.031 7.198 22.058 1.00 0.00 C ATOM 1562 O VAL B 33 12.063 6.730 23.196 1.00 0.00 O ATOM 1563 CB VAL B 33 13.813 8.901 21.520 1.00 0.00 C ATOM 1564 CG1 VAL B 33 14.102 10.327 21.048 1.00 0.00 C ATOM 1565 CG2 VAL B 33 14.734 8.587 22.702 1.00 0.00 C ATOM 0 H VAL B 33 12.123 9.072 23.887 1.00 0.00 H new ATOM 0 HA VAL B 33 11.740 9.034 20.975 1.00 0.00 H new ATOM 0 HB VAL B 33 14.028 8.193 20.719 1.00 0.00 H new ATOM 0 HG11 VAL B 33 15.166 10.432 20.838 1.00 0.00 H new ATOM 0 HG12 VAL B 33 13.531 10.533 20.143 1.00 0.00 H new ATOM 0 HG13 VAL B 33 13.815 11.033 21.827 1.00 0.00 H new ATOM 0 HG21 VAL B 33 15.771 8.757 22.411 1.00 0.00 H new ATOM 0 HG22 VAL B 33 14.482 9.235 23.542 1.00 0.00 H new ATOM 0 HG23 VAL B 33 14.606 7.545 22.996 1.00 0.00 H new ATOM 1575 N THR B 34 11.777 6.459 20.973 1.00 0.00 N ATOM 1576 CA THR B 34 11.446 5.015 20.960 1.00 0.00 C ATOM 1577 C THR B 34 12.283 4.274 19.912 1.00 0.00 C ATOM 1578 O THR B 34 12.388 4.751 18.782 1.00 0.00 O ATOM 1579 CB THR B 34 9.956 4.799 20.637 1.00 0.00 C ATOM 1580 OG1 THR B 34 9.127 5.569 21.488 1.00 0.00 O ATOM 1581 CG2 THR B 34 9.503 3.342 20.778 1.00 0.00 C ATOM 0 H THR B 34 11.795 6.860 20.035 1.00 0.00 H new ATOM 0 HA THR B 34 11.668 4.622 21.952 1.00 0.00 H new ATOM 0 HB THR B 34 9.856 5.106 19.596 1.00 0.00 H new ATOM 0 HG1 THR B 34 9.096 6.494 21.165 1.00 0.00 H new ATOM 0 HG21 THR B 34 8.443 3.265 20.535 1.00 0.00 H new ATOM 0 HG22 THR B 34 10.078 2.715 20.097 1.00 0.00 H new ATOM 0 HG23 THR B 34 9.665 3.008 21.803 1.00 0.00 H new ATOM 1589 N THR B 35 12.848 3.109 20.241 1.00 0.00 N ATOM 1590 CA THR B 35 13.716 2.326 19.335 1.00 0.00 C ATOM 1591 C THR B 35 13.177 0.924 19.042 1.00 0.00 C ATOM 1592 O THR B 35 12.291 0.411 19.734 1.00 0.00 O ATOM 1593 CB THR B 35 15.150 2.219 19.878 1.00 0.00 C ATOM 1594 OG1 THR B 35 15.190 1.345 20.988 1.00 0.00 O ATOM 1595 CG2 THR B 35 15.745 3.566 20.294 1.00 0.00 C ATOM 0 H THR B 35 12.719 2.671 21.153 1.00 0.00 H new ATOM 0 HA THR B 35 13.723 2.879 18.396 1.00 0.00 H new ATOM 0 HB THR B 35 15.752 1.832 19.056 1.00 0.00 H new ATOM 0 HG1 THR B 35 16.109 1.284 21.323 1.00 0.00 H new ATOM 0 HG21 THR B 35 16.758 3.416 20.667 1.00 0.00 H new ATOM 0 HG22 THR B 35 15.771 4.234 19.433 1.00 0.00 H new ATOM 0 HG23 THR B 35 15.131 4.008 21.078 1.00 0.00 H new ATOM 1603 N LEU B 36 13.744 0.263 18.025 1.00 0.00 N ATOM 1604 CA LEU B 36 13.444 -1.128 17.651 1.00 0.00 C ATOM 1605 C LEU B 36 13.842 -2.189 18.701 1.00 0.00 C ATOM 1606 O LEU B 36 13.451 -3.353 18.575 1.00 0.00 O ATOM 1607 CB LEU B 36 14.042 -1.429 16.258 1.00 0.00 C ATOM 1608 CG LEU B 36 15.549 -1.773 16.218 1.00 0.00 C ATOM 1609 CD1 LEU B 36 15.943 -2.089 14.775 1.00 0.00 C ATOM 1610 CD2 LEU B 36 16.442 -0.635 16.707 1.00 0.00 C ATOM 0 H LEU B 36 14.445 0.692 17.421 1.00 0.00 H new ATOM 0 HA LEU B 36 12.358 -1.210 17.609 1.00 0.00 H new ATOM 0 HB2 LEU B 36 13.490 -2.261 15.821 1.00 0.00 H new ATOM 0 HB3 LEU B 36 13.872 -0.563 15.618 1.00 0.00 H new ATOM 0 HG LEU B 36 15.696 -2.622 16.885 1.00 0.00 H new ATOM 0 HD11 LEU B 36 17.004 -2.333 14.733 1.00 0.00 H new ATOM 0 HD12 LEU B 36 15.361 -2.938 14.416 1.00 0.00 H new ATOM 0 HD13 LEU B 36 15.745 -1.221 14.146 1.00 0.00 H new ATOM 0 HD21 LEU B 36 17.486 -0.943 16.653 1.00 0.00 H new ATOM 0 HD22 LEU B 36 16.289 0.243 16.079 1.00 0.00 H new ATOM 0 HD23 LEU B 36 16.189 -0.391 17.739 1.00 0.00 H new ATOM 1622 N PHE B 37 14.575 -1.796 19.751 1.00 0.00 N ATOM 1623 CA PHE B 37 14.911 -2.640 20.906 1.00 0.00 C ATOM 1624 C PHE B 37 13.803 -2.660 21.989 1.00 0.00 C ATOM 1625 O PHE B 37 14.036 -3.121 23.109 1.00 0.00 O ATOM 1626 CB PHE B 37 16.274 -2.194 21.470 1.00 0.00 C ATOM 1627 CG PHE B 37 17.391 -2.099 20.444 1.00 0.00 C ATOM 1628 CD1 PHE B 37 17.791 -3.240 19.720 1.00 0.00 C ATOM 1629 CD2 PHE B 37 18.034 -0.865 20.203 1.00 0.00 C ATOM 1630 CE1 PHE B 37 18.816 -3.147 18.763 1.00 0.00 C ATOM 1631 CE2 PHE B 37 19.064 -0.774 19.249 1.00 0.00 C ATOM 1632 CZ PHE B 37 19.453 -1.916 18.525 1.00 0.00 C ATOM 0 H PHE B 37 14.962 -0.855 19.823 1.00 0.00 H new ATOM 0 HA PHE B 37 14.983 -3.674 20.567 1.00 0.00 H new ATOM 0 HB2 PHE B 37 16.153 -1.221 21.945 1.00 0.00 H new ATOM 0 HB3 PHE B 37 16.575 -2.894 22.249 1.00 0.00 H new ATOM 0 HD1 PHE B 37 17.308 -4.189 19.901 1.00 0.00 H new ATOM 0 HD2 PHE B 37 17.733 0.014 20.754 1.00 0.00 H new ATOM 0 HE1 PHE B 37 19.116 -4.024 18.208 1.00 0.00 H new ATOM 0 HE2 PHE B 37 19.556 0.171 19.073 1.00 0.00 H new ATOM 0 HZ PHE B 37 20.239 -1.847 17.788 1.00 0.00 H new ATOM 1642 N ASP B 38 12.613 -2.130 21.679 1.00 0.00 N ATOM 1643 CA ASP B 38 11.489 -1.863 22.598 1.00 0.00 C ATOM 1644 C ASP B 38 11.805 -0.864 23.738 1.00 0.00 C ATOM 1645 O ASP B 38 11.026 -0.714 24.687 1.00 0.00 O ATOM 1646 CB ASP B 38 10.833 -3.167 23.104 1.00 0.00 C ATOM 1647 CG ASP B 38 10.354 -4.111 21.983 1.00 0.00 C ATOM 1648 OD1 ASP B 38 9.835 -3.626 20.948 1.00 0.00 O ATOM 1649 OD2 ASP B 38 10.441 -5.352 22.168 1.00 0.00 O1- ATOM 0 H ASP B 38 12.391 -1.858 20.721 1.00 0.00 H new ATOM 0 HA ASP B 38 10.747 -1.342 21.993 1.00 0.00 H new ATOM 0 HB2 ASP B 38 11.547 -3.700 23.732 1.00 0.00 H new ATOM 0 HB3 ASP B 38 9.983 -2.911 23.736 1.00 0.00 H new ATOM 1654 N GLU B 39 12.943 -0.170 23.662 1.00 0.00 N ATOM 1655 CA GLU B 39 13.403 0.806 24.655 1.00 0.00 C ATOM 1656 C GLU B 39 12.820 2.210 24.399 1.00 0.00 C ATOM 1657 O GLU B 39 12.603 2.613 23.253 1.00 0.00 O ATOM 1658 CB GLU B 39 14.947 0.811 24.687 1.00 0.00 C ATOM 1659 CG GLU B 39 15.627 1.751 25.700 1.00 0.00 C ATOM 1660 CD GLU B 39 15.342 1.386 27.172 1.00 0.00 C ATOM 1661 OE1 GLU B 39 16.312 1.127 27.930 1.00 0.00 O ATOM 1662 OE2 GLU B 39 14.157 1.372 27.595 1.00 0.00 O1- ATOM 0 H GLU B 39 13.592 -0.275 22.882 1.00 0.00 H new ATOM 0 HA GLU B 39 13.035 0.509 25.637 1.00 0.00 H new ATOM 0 HB2 GLU B 39 15.284 -0.205 24.890 1.00 0.00 H new ATOM 0 HB3 GLU B 39 15.305 1.072 23.691 1.00 0.00 H new ATOM 0 HG2 GLU B 39 16.704 1.734 25.532 1.00 0.00 H new ATOM 0 HG3 GLU B 39 15.292 2.772 25.517 1.00 0.00 H new ATOM 1669 N GLU B 40 12.615 2.975 25.475 1.00 0.00 N ATOM 1670 CA GLU B 40 12.334 4.415 25.424 1.00 0.00 C ATOM 1671 C GLU B 40 13.260 5.223 26.340 1.00 0.00 C ATOM 1672 O GLU B 40 13.710 4.744 27.386 1.00 0.00 O ATOM 1673 CB GLU B 40 10.860 4.740 25.736 1.00 0.00 C ATOM 1674 CG GLU B 40 9.895 4.283 24.636 1.00 0.00 C ATOM 1675 CD GLU B 40 8.491 4.892 24.811 1.00 0.00 C ATOM 1676 OE1 GLU B 40 8.327 6.135 24.716 1.00 0.00 O ATOM 1677 OE2 GLU B 40 7.520 4.133 25.053 1.00 0.00 O1- ATOM 0 H GLU B 40 12.640 2.605 26.425 1.00 0.00 H new ATOM 0 HA GLU B 40 12.532 4.714 24.395 1.00 0.00 H new ATOM 0 HB2 GLU B 40 10.581 4.264 26.676 1.00 0.00 H new ATOM 0 HB3 GLU B 40 10.754 5.815 25.879 1.00 0.00 H new ATOM 0 HG2 GLU B 40 10.295 4.567 23.662 1.00 0.00 H new ATOM 0 HG3 GLU B 40 9.822 3.195 24.646 1.00 0.00 H new ATOM 1684 N HIS B 41 13.509 6.481 25.963 1.00 0.00 N ATOM 1685 CA HIS B 41 14.243 7.475 26.759 1.00 0.00 C ATOM 1686 C HIS B 41 13.467 8.797 26.822 1.00 0.00 C ATOM 1687 O HIS B 41 12.643 9.079 25.945 1.00 0.00 O ATOM 1688 CB HIS B 41 15.662 7.700 26.201 1.00 0.00 C ATOM 1689 CG HIS B 41 16.503 6.460 26.049 1.00 0.00 C ATOM 1690 ND1 HIS B 41 17.231 5.835 27.065 1.00 0.00 N ATOM 1691 CD2 HIS B 41 16.709 5.783 24.881 1.00 0.00 C ATOM 1692 CE1 HIS B 41 17.863 4.800 26.480 1.00 0.00 C ATOM 1693 NE2 HIS B 41 17.567 4.745 25.173 1.00 0.00 N ATOM 0 H HIS B 41 13.195 6.850 25.065 1.00 0.00 H new ATOM 0 HA HIS B 41 14.342 7.086 27.772 1.00 0.00 H new ATOM 0 HB2 HIS B 41 15.578 8.183 25.227 1.00 0.00 H new ATOM 0 HB3 HIS B 41 16.186 8.395 26.857 1.00 0.00 H new ATOM 0 HD2 HIS B 41 16.283 6.016 23.916 1.00 0.00 H new ATOM 0 HE1 HIS B 41 18.517 4.110 26.992 1.00 0.00 H new ATOM 0 HE2 HIS B 41 17.917 4.054 24.509 1.00 0.00 H new ATOM 1701 N ALA B 42 13.741 9.614 27.840 1.00 0.00 N ATOM 1702 CA ALA B 42 13.100 10.911 28.064 1.00 0.00 C ATOM 1703 C ALA B 42 14.117 11.993 28.465 1.00 0.00 C ATOM 1704 O ALA B 42 15.046 11.732 29.239 1.00 0.00 O ATOM 1705 CB ALA B 42 12.006 10.750 29.133 1.00 0.00 C ATOM 0 H ALA B 42 14.435 9.385 28.552 1.00 0.00 H new ATOM 0 HA ALA B 42 12.649 11.245 27.130 1.00 0.00 H new ATOM 0 HB1 ALA B 42 11.523 11.711 29.307 1.00 0.00 H new ATOM 0 HB2 ALA B 42 11.265 10.028 28.789 1.00 0.00 H new ATOM 0 HB3 ALA B 42 12.454 10.396 30.062 1.00 0.00 H new ATOM 1711 N PHE B 43 13.912 13.211 27.960 1.00 0.00 N ATOM 1712 CA PHE B 43 14.827 14.349 28.076 1.00 0.00 C ATOM 1713 C PHE B 43 14.044 15.652 28.347 1.00 0.00 C ATOM 1714 O PHE B 43 13.614 16.325 27.398 1.00 0.00 O ATOM 1715 CB PHE B 43 15.681 14.434 26.795 1.00 0.00 C ATOM 1716 CG PHE B 43 16.462 13.169 26.479 1.00 0.00 C ATOM 1717 CD1 PHE B 43 17.623 12.853 27.222 1.00 0.00 C ATOM 1718 CD2 PHE B 43 16.027 12.301 25.459 1.00 0.00 C ATOM 1719 CE1 PHE B 43 18.328 11.669 26.944 1.00 0.00 C ATOM 1720 CE2 PHE B 43 16.737 11.120 25.186 1.00 0.00 C ATOM 1721 CZ PHE B 43 17.881 10.799 25.937 1.00 0.00 C ATOM 0 H PHE B 43 13.068 13.441 27.436 1.00 0.00 H new ATOM 0 HA PHE B 43 15.495 14.208 28.925 1.00 0.00 H new ATOM 0 HB2 PHE B 43 15.029 14.665 25.952 1.00 0.00 H new ATOM 0 HB3 PHE B 43 16.381 15.264 26.893 1.00 0.00 H new ATOM 0 HD1 PHE B 43 17.967 13.519 28.000 1.00 0.00 H new ATOM 0 HD2 PHE B 43 15.145 12.544 24.885 1.00 0.00 H new ATOM 0 HE1 PHE B 43 19.217 11.428 27.507 1.00 0.00 H new ATOM 0 HE2 PHE B 43 16.404 10.459 24.399 1.00 0.00 H new ATOM 0 HZ PHE B 43 18.417 9.882 25.739 1.00 0.00 H new ATOM 1731 N PRO B 44 13.802 16.012 29.622 1.00 0.00 N ATOM 1732 CA PRO B 44 13.111 17.252 29.982 1.00 0.00 C ATOM 1733 C PRO B 44 13.927 18.503 29.608 1.00 0.00 C ATOM 1734 O PRO B 44 15.160 18.500 29.642 1.00 0.00 O ATOM 1735 CB PRO B 44 12.810 17.141 31.480 1.00 0.00 C ATOM 1736 CG PRO B 44 13.889 16.183 31.997 1.00 0.00 C ATOM 1737 CD PRO B 44 14.146 15.260 30.815 1.00 0.00 C ATOM 0 HA PRO B 44 12.185 17.375 29.420 1.00 0.00 H new ATOM 0 HB2 PRO B 44 12.867 18.112 31.973 1.00 0.00 H new ATOM 0 HB3 PRO B 44 11.808 16.750 31.659 1.00 0.00 H new ATOM 0 HG2 PRO B 44 14.792 16.718 32.291 1.00 0.00 H new ATOM 0 HG3 PRO B 44 13.547 15.629 32.871 1.00 0.00 H new ATOM 0 HD2 PRO B 44 15.189 14.946 30.788 1.00 0.00 H new ATOM 0 HD3 PRO B 44 13.543 14.355 30.891 1.00 0.00 H new ATOM 1745 N GLY B 45 13.217 19.575 29.242 1.00 0.00 N ATOM 1746 CA GLY B 45 13.784 20.853 28.798 1.00 0.00 C ATOM 1747 C GLY B 45 14.204 20.911 27.320 1.00 0.00 C ATOM 1748 O GLY B 45 14.723 21.943 26.883 1.00 0.00 O ATOM 0 H GLY B 45 12.197 19.577 29.247 1.00 0.00 H new ATOM 0 HA2 GLY B 45 13.051 21.639 28.981 1.00 0.00 H new ATOM 0 HA3 GLY B 45 14.654 21.079 29.414 1.00 0.00 H new ATOM 1752 N LEU B 46 13.990 19.844 26.539 1.00 0.00 N ATOM 1753 CA LEU B 46 14.267 19.810 25.093 1.00 0.00 C ATOM 1754 C LEU B 46 13.018 20.029 24.220 1.00 0.00 C ATOM 1755 O LEU B 46 11.882 19.847 24.666 1.00 0.00 O ATOM 1756 CB LEU B 46 14.964 18.491 24.701 1.00 0.00 C ATOM 1757 CG LEU B 46 16.299 18.189 25.407 1.00 0.00 C ATOM 1758 CD1 LEU B 46 16.967 17.004 24.701 1.00 0.00 C ATOM 1759 CD2 LEU B 46 17.285 19.357 25.358 1.00 0.00 C ATOM 0 H LEU B 46 13.614 18.966 26.897 1.00 0.00 H new ATOM 0 HA LEU B 46 14.934 20.650 24.897 1.00 0.00 H new ATOM 0 HB2 LEU B 46 14.277 17.669 24.901 1.00 0.00 H new ATOM 0 HB3 LEU B 46 15.141 18.504 23.626 1.00 0.00 H new ATOM 0 HG LEU B 46 16.064 17.984 26.452 1.00 0.00 H new ATOM 0 HD11 LEU B 46 17.915 16.777 25.189 1.00 0.00 H new ATOM 0 HD12 LEU B 46 16.314 16.133 24.754 1.00 0.00 H new ATOM 0 HD13 LEU B 46 17.148 17.258 23.657 1.00 0.00 H new ATOM 0 HD21 LEU B 46 18.204 19.079 25.873 1.00 0.00 H new ATOM 0 HD22 LEU B 46 17.510 19.600 24.320 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.844 20.226 25.846 1.00 0.00 H new ATOM 1771 N ALA B 47 13.261 20.343 22.949 1.00 0.00 N ATOM 1772 CA ALA B 47 12.319 20.298 21.823 1.00 0.00 C ATOM 1773 C ALA B 47 13.043 19.870 20.525 1.00 0.00 C ATOM 1774 O ALA B 47 14.271 19.968 20.427 1.00 0.00 O ATOM 1775 CB ALA B 47 11.656 21.678 21.687 1.00 0.00 C ATOM 0 H ALA B 47 14.185 20.658 22.654 1.00 0.00 H new ATOM 0 HA ALA B 47 11.544 19.554 22.007 1.00 0.00 H new ATOM 0 HB1 ALA B 47 10.952 21.663 20.855 1.00 0.00 H new ATOM 0 HB2 ALA B 47 11.124 21.918 22.608 1.00 0.00 H new ATOM 0 HB3 ALA B 47 12.421 22.432 21.502 1.00 0.00 H new ATOM 1781 N ILE B 48 12.304 19.390 19.521 1.00 0.00 N ATOM 1782 CA ILE B 48 12.863 19.053 18.191 1.00 0.00 C ATOM 1783 C ILE B 48 13.180 20.358 17.426 1.00 0.00 C ATOM 1784 O ILE B 48 12.286 21.181 17.217 1.00 0.00 O ATOM 1785 CB ILE B 48 11.902 18.139 17.385 1.00 0.00 C ATOM 1786 CG1 ILE B 48 11.583 16.804 18.103 1.00 0.00 C ATOM 1787 CG2 ILE B 48 12.508 17.831 16.001 1.00 0.00 C ATOM 1788 CD1 ILE B 48 10.234 16.210 17.675 1.00 0.00 C ATOM 0 H ILE B 48 11.301 19.221 19.598 1.00 0.00 H new ATOM 0 HA ILE B 48 13.786 18.490 18.327 1.00 0.00 H new ATOM 0 HB ILE B 48 10.966 18.688 17.286 1.00 0.00 H new ATOM 0 HG12 ILE B 48 12.375 16.085 17.893 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.578 16.968 19.181 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.828 17.189 15.441 1.00 0.00 H new ATOM 0 HG22 ILE B 48 12.660 18.762 15.455 1.00 0.00 H new ATOM 0 HG23 ILE B 48 13.465 17.324 16.127 1.00 0.00 H new ATOM 0 HD11 ILE B 48 10.062 15.276 18.209 1.00 0.00 H new ATOM 0 HD12 ILE B 48 9.436 16.914 17.909 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.245 16.018 16.602 1.00 0.00 H new ATOM 1800 N GLY B 49 14.438 20.556 17.013 1.00 0.00 N ATOM 1801 CA GLY B 49 14.905 21.768 16.323 1.00 0.00 C ATOM 1802 C GLY B 49 15.051 21.615 14.806 1.00 0.00 C ATOM 1803 O GLY B 49 14.764 22.552 14.058 1.00 0.00 O ATOM 0 H GLY B 49 15.176 19.865 17.151 1.00 0.00 H new ATOM 0 HA2 GLY B 49 14.208 22.580 16.529 1.00 0.00 H new ATOM 0 HA3 GLY B 49 15.868 22.061 16.741 1.00 0.00 H new ATOM 1807 N ARG B 50 15.479 20.434 14.341 1.00 0.00 N ATOM 1808 CA ARG B 50 15.803 20.129 12.932 1.00 0.00 C ATOM 1809 C ARG B 50 15.625 18.637 12.643 1.00 0.00 C ATOM 1810 O ARG B 50 15.936 17.797 13.487 1.00 0.00 O ATOM 1811 CB ARG B 50 17.239 20.619 12.643 1.00 0.00 C ATOM 1812 CG ARG B 50 17.863 20.178 11.309 1.00 0.00 C ATOM 1813 CD ARG B 50 19.274 20.762 11.201 1.00 0.00 C ATOM 1814 NE ARG B 50 19.971 20.317 9.974 1.00 0.00 N ATOM 1815 CZ ARG B 50 21.278 20.214 9.813 1.00 0.00 C ATOM 1816 NH1 ARG B 50 22.126 20.539 10.751 1.00 0.00 N1+ ATOM 1817 NH2 ARG B 50 21.783 19.782 8.697 1.00 0.00 N ATOM 0 H ARG B 50 15.616 19.631 14.955 1.00 0.00 H new ATOM 0 HA ARG B 50 15.117 20.650 12.265 1.00 0.00 H new ATOM 0 HB2 ARG B 50 17.240 21.709 12.675 1.00 0.00 H new ATOM 0 HB3 ARG B 50 17.885 20.275 13.451 1.00 0.00 H new ATOM 0 HG2 ARG B 50 17.901 19.090 11.252 1.00 0.00 H new ATOM 0 HG3 ARG B 50 17.249 20.520 10.475 1.00 0.00 H new ATOM 0 HD2 ARG B 50 19.216 21.850 11.210 1.00 0.00 H new ATOM 0 HD3 ARG B 50 19.855 20.467 12.074 1.00 0.00 H new ATOM 0 HE ARG B 50 19.387 20.066 9.177 1.00 0.00 H new ATOM 0 HH11 ARG B 50 21.786 20.887 11.648 1.00 0.00 H new ATOM 0 HH12 ARG B 50 23.128 20.445 10.587 1.00 0.00 H new ATOM 0 HH21 ARG B 50 21.168 19.516 7.928 1.00 0.00 H new ATOM 0 HH22 ARG B 50 22.795 19.709 8.590 1.00 0.00 H new ATOM 1831 N VAL B 51 15.178 18.322 11.431 1.00 0.00 N ATOM 1832 CA VAL B 51 15.032 16.964 10.891 1.00 0.00 C ATOM 1833 C VAL B 51 15.548 16.972 9.450 1.00 0.00 C ATOM 1834 O VAL B 51 14.901 17.523 8.561 1.00 0.00 O ATOM 1835 CB VAL B 51 13.565 16.483 10.968 1.00 0.00 C ATOM 1836 CG1 VAL B 51 13.447 15.024 10.517 1.00 0.00 C ATOM 1837 CG2 VAL B 51 12.970 16.599 12.375 1.00 0.00 C ATOM 0 H VAL B 51 14.893 19.038 10.762 1.00 0.00 H new ATOM 0 HA VAL B 51 15.614 16.261 11.486 1.00 0.00 H new ATOM 0 HB VAL B 51 13.004 17.139 10.302 1.00 0.00 H new ATOM 0 HG11 VAL B 51 12.406 14.707 10.579 1.00 0.00 H new ATOM 0 HG12 VAL B 51 13.793 14.932 9.487 1.00 0.00 H new ATOM 0 HG13 VAL B 51 14.058 14.393 11.163 1.00 0.00 H new ATOM 0 HG21 VAL B 51 11.939 16.246 12.364 1.00 0.00 H new ATOM 0 HG22 VAL B 51 13.554 15.993 13.068 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.994 17.641 12.695 1.00 0.00 H new ATOM 1847 N ASP B 52 16.732 16.403 9.219 1.00 0.00 N ATOM 1848 CA ASP B 52 17.427 16.435 7.928 1.00 0.00 C ATOM 1849 C ASP B 52 17.503 15.024 7.325 1.00 0.00 C ATOM 1850 O ASP B 52 18.321 14.198 7.735 1.00 0.00 O ATOM 1851 CB ASP B 52 18.807 17.085 8.122 1.00 0.00 C ATOM 1852 CG ASP B 52 19.586 17.323 6.821 1.00 0.00 C ATOM 1853 OD1 ASP B 52 19.254 16.745 5.762 1.00 0.00 O ATOM 1854 OD2 ASP B 52 20.542 18.129 6.861 1.00 0.00 O1- ATOM 0 H ASP B 52 17.247 15.896 9.939 1.00 0.00 H new ATOM 0 HA ASP B 52 16.874 17.040 7.210 1.00 0.00 H new ATOM 0 HB2 ASP B 52 18.677 18.039 8.633 1.00 0.00 H new ATOM 0 HB3 ASP B 52 19.404 16.451 8.778 1.00 0.00 H new ATOM 1859 N LEU B 53 16.619 14.743 6.364 1.00 0.00 N ATOM 1860 CA LEU B 53 16.424 13.426 5.756 1.00 0.00 C ATOM 1861 C LEU B 53 17.547 13.052 4.770 1.00 0.00 C ATOM 1862 O LEU B 53 17.714 11.869 4.467 1.00 0.00 O ATOM 1863 CB LEU B 53 15.045 13.351 5.066 1.00 0.00 C ATOM 1864 CG LEU B 53 13.783 13.559 5.926 1.00 0.00 C ATOM 1865 CD1 LEU B 53 13.805 12.724 7.211 1.00 0.00 C ATOM 1866 CD2 LEU B 53 13.482 15.012 6.300 1.00 0.00 C ATOM 0 H LEU B 53 15.998 15.452 5.975 1.00 0.00 H new ATOM 0 HA LEU B 53 16.461 12.695 6.563 1.00 0.00 H new ATOM 0 HB2 LEU B 53 15.031 14.096 4.270 1.00 0.00 H new ATOM 0 HB3 LEU B 53 14.965 12.374 4.590 1.00 0.00 H new ATOM 0 HG LEU B 53 12.984 13.220 5.267 1.00 0.00 H new ATOM 0 HD11 LEU B 53 12.894 12.908 7.780 1.00 0.00 H new ATOM 0 HD12 LEU B 53 13.867 11.666 6.956 1.00 0.00 H new ATOM 0 HD13 LEU B 53 14.670 13.004 7.812 1.00 0.00 H new ATOM 0 HD21 LEU B 53 12.576 15.052 6.904 1.00 0.00 H new ATOM 0 HD22 LEU B 53 14.316 15.421 6.870 1.00 0.00 H new ATOM 0 HD23 LEU B 53 13.339 15.599 5.393 1.00 0.00 H new ATOM 1878 N ARG B 54 18.357 14.020 4.310 1.00 0.00 N ATOM 1879 CA ARG B 54 19.562 13.754 3.499 1.00 0.00 C ATOM 1880 C ARG B 54 20.611 12.978 4.299 1.00 0.00 C ATOM 1881 O ARG B 54 21.244 12.061 3.769 1.00 0.00 O ATOM 1882 CB ARG B 54 20.189 15.064 2.988 1.00 0.00 C ATOM 1883 CG ARG B 54 19.214 16.077 2.370 1.00 0.00 C ATOM 1884 CD ARG B 54 20.003 17.294 1.871 1.00 0.00 C ATOM 1885 NE ARG B 54 19.196 18.526 1.838 1.00 0.00 N ATOM 1886 CZ ARG B 54 18.991 19.333 2.865 1.00 0.00 C ATOM 1887 NH1 ARG B 54 18.401 20.478 2.727 1.00 0.00 N1+ ATOM 1888 NH2 ARG B 54 19.346 19.059 4.081 1.00 0.00 N ATOM 0 H ARG B 54 18.196 15.011 4.489 1.00 0.00 H new ATOM 0 HA ARG B 54 19.244 13.151 2.648 1.00 0.00 H new ATOM 0 HB2 ARG B 54 20.705 15.546 3.819 1.00 0.00 H new ATOM 0 HB3 ARG B 54 20.946 14.816 2.243 1.00 0.00 H new ATOM 0 HG2 ARG B 54 18.669 15.619 1.545 1.00 0.00 H new ATOM 0 HG3 ARG B 54 18.474 16.386 3.109 1.00 0.00 H new ATOM 0 HD2 ARG B 54 20.868 17.449 2.516 1.00 0.00 H new ATOM 0 HD3 ARG B 54 20.384 17.088 0.871 1.00 0.00 H new ATOM 0 HE ARG B 54 18.760 18.777 0.951 1.00 0.00 H new ATOM 0 HH11 ARG B 54 18.080 20.779 1.807 1.00 0.00 H new ATOM 0 HH12 ARG B 54 18.257 21.079 3.539 1.00 0.00 H new ATOM 0 HH21 ARG B 54 19.813 18.176 4.289 1.00 0.00 H new ATOM 0 HH22 ARG B 54 19.158 19.726 4.830 1.00 0.00 H new ATOM 1902 N SER B 55 20.773 13.346 5.575 1.00 0.00 N ATOM 1903 CA SER B 55 21.652 12.677 6.547 1.00 0.00 C ATOM 1904 C SER B 55 20.936 11.605 7.391 1.00 0.00 C ATOM 1905 O SER B 55 21.593 10.728 7.954 1.00 0.00 O ATOM 1906 CB SER B 55 22.267 13.722 7.485 1.00 0.00 C ATOM 1907 OG SER B 55 23.040 14.670 6.759 1.00 0.00 O ATOM 0 H SER B 55 20.280 14.144 5.975 1.00 0.00 H new ATOM 0 HA SER B 55 22.420 12.165 5.967 1.00 0.00 H new ATOM 0 HB2 SER B 55 21.476 14.235 8.031 1.00 0.00 H new ATOM 0 HB3 SER B 55 22.895 13.226 8.225 1.00 0.00 H new ATOM 0 HG SER B 55 23.420 15.326 7.380 1.00 0.00 H new ATOM 1913 N GLY B 56 19.600 11.661 7.481 1.00 0.00 N ATOM 1914 CA GLY B 56 18.793 10.824 8.379 1.00 0.00 C ATOM 1915 C GLY B 56 18.910 11.230 9.853 1.00 0.00 C ATOM 1916 O GLY B 56 18.868 10.360 10.726 1.00 0.00 O ATOM 0 H GLY B 56 19.039 12.302 6.920 1.00 0.00 H new ATOM 0 HA2 GLY B 56 17.748 10.880 8.075 1.00 0.00 H new ATOM 0 HA3 GLY B 56 19.101 9.784 8.270 1.00 0.00 H new ATOM 1920 N VAL B 57 19.115 12.524 10.136 1.00 0.00 N ATOM 1921 CA VAL B 57 19.433 13.048 11.481 1.00 0.00 C ATOM 1922 C VAL B 57 18.323 13.948 12.028 1.00 0.00 C ATOM 1923 O VAL B 57 17.880 14.891 11.366 1.00 0.00 O ATOM 1924 CB VAL B 57 20.798 13.777 11.487 1.00 0.00 C ATOM 1925 CG1 VAL B 57 21.124 14.428 12.842 1.00 0.00 C ATOM 1926 CG2 VAL B 57 21.936 12.798 11.175 1.00 0.00 C ATOM 0 H VAL B 57 19.064 13.254 9.425 1.00 0.00 H new ATOM 0 HA VAL B 57 19.504 12.190 12.149 1.00 0.00 H new ATOM 0 HB VAL B 57 20.717 14.553 10.726 1.00 0.00 H new ATOM 0 HG11 VAL B 57 22.093 14.924 12.784 1.00 0.00 H new ATOM 0 HG12 VAL B 57 20.356 15.161 13.088 1.00 0.00 H new ATOM 0 HG13 VAL B 57 21.155 13.661 13.616 1.00 0.00 H new ATOM 0 HG21 VAL B 57 22.887 13.331 11.184 1.00 0.00 H new ATOM 0 HG22 VAL B 57 21.954 12.010 11.928 1.00 0.00 H new ATOM 0 HG23 VAL B 57 21.777 12.357 10.191 1.00 0.00 H new ATOM 1936 N ILE B 58 17.917 13.682 13.270 1.00 0.00 N ATOM 1937 CA ILE B 58 17.042 14.521 14.100 1.00 0.00 C ATOM 1938 C ILE B 58 17.905 15.236 15.148 1.00 0.00 C ATOM 1939 O ILE B 58 18.549 14.577 15.964 1.00 0.00 O ATOM 1940 CB ILE B 58 15.962 13.640 14.769 1.00 0.00 C ATOM 1941 CG1 ILE B 58 14.979 13.069 13.728 1.00 0.00 C ATOM 1942 CG2 ILE B 58 15.183 14.390 15.867 1.00 0.00 C ATOM 1943 CD1 ILE B 58 14.461 11.680 14.119 1.00 0.00 C ATOM 0 H ILE B 58 18.203 12.830 13.753 1.00 0.00 H new ATOM 0 HA ILE B 58 16.534 15.268 13.490 1.00 0.00 H new ATOM 0 HB ILE B 58 16.496 12.817 15.244 1.00 0.00 H new ATOM 0 HG12 ILE B 58 14.136 13.751 13.615 1.00 0.00 H new ATOM 0 HG13 ILE B 58 15.473 13.011 12.758 1.00 0.00 H new ATOM 0 HG21 ILE B 58 14.438 13.725 16.303 1.00 0.00 H new ATOM 0 HG22 ILE B 58 15.874 14.719 16.643 1.00 0.00 H new ATOM 0 HG23 ILE B 58 14.685 15.257 15.432 1.00 0.00 H new ATOM 0 HD11 ILE B 58 13.772 11.320 13.355 1.00 0.00 H new ATOM 0 HD12 ILE B 58 15.300 10.990 14.205 1.00 0.00 H new ATOM 0 HD13 ILE B 58 13.942 11.741 15.075 1.00 0.00 H new ATOM 1955 N SER B 59 17.908 16.571 15.158 1.00 0.00 N ATOM 1956 CA SER B 59 18.615 17.388 16.151 1.00 0.00 C ATOM 1957 C SER B 59 17.640 17.988 17.168 1.00 0.00 C ATOM 1958 O SER B 59 16.729 18.741 16.804 1.00 0.00 O ATOM 1959 CB SER B 59 19.410 18.523 15.491 1.00 0.00 C ATOM 1960 OG SER B 59 20.257 18.050 14.457 1.00 0.00 O ATOM 0 H SER B 59 17.410 17.127 14.463 1.00 0.00 H new ATOM 0 HA SER B 59 19.310 16.723 16.663 1.00 0.00 H new ATOM 0 HB2 SER B 59 18.718 19.260 15.084 1.00 0.00 H new ATOM 0 HB3 SER B 59 20.010 19.032 16.246 1.00 0.00 H new ATOM 0 HG SER B 59 20.743 18.804 14.062 1.00 0.00 H new ATOM 1966 N LEU B 60 17.843 17.675 18.449 1.00 0.00 N ATOM 1967 CA LEU B 60 17.135 18.293 19.571 1.00 0.00 C ATOM 1968 C LEU B 60 17.898 19.521 20.097 1.00 0.00 C ATOM 1969 O LEU B 60 19.133 19.564 20.073 1.00 0.00 O ATOM 1970 CB LEU B 60 16.899 17.277 20.698 1.00 0.00 C ATOM 1971 CG LEU B 60 16.319 15.916 20.272 1.00 0.00 C ATOM 1972 CD1 LEU B 60 16.065 15.068 21.515 1.00 0.00 C ATOM 1973 CD2 LEU B 60 15.005 16.062 19.504 1.00 0.00 C ATOM 0 H LEU B 60 18.519 16.969 18.741 1.00 0.00 H new ATOM 0 HA LEU B 60 16.164 18.629 19.207 1.00 0.00 H new ATOM 0 HB2 LEU B 60 17.847 17.102 21.206 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.224 17.724 21.428 1.00 0.00 H new ATOM 0 HG LEU B 60 17.046 15.442 19.613 1.00 0.00 H new ATOM 0 HD11 LEU B 60 15.654 14.103 21.219 1.00 0.00 H new ATOM 0 HD12 LEU B 60 17.003 14.915 22.049 1.00 0.00 H new ATOM 0 HD13 LEU B 60 15.356 15.580 22.166 1.00 0.00 H new ATOM 0 HD21 LEU B 60 14.635 15.075 19.225 1.00 0.00 H new ATOM 0 HD22 LEU B 60 14.269 16.561 20.134 1.00 0.00 H new ATOM 0 HD23 LEU B 60 15.173 16.654 18.604 1.00 0.00 H new ATOM 1985 N ILE B 61 17.150 20.495 20.619 1.00 0.00 N ATOM 1986 CA ILE B 61 17.648 21.757 21.202 1.00 0.00 C ATOM 1987 C ILE B 61 16.956 22.044 22.539 1.00 0.00 C ATOM 1988 O ILE B 61 15.873 21.523 22.806 1.00 0.00 O ATOM 1989 CB ILE B 61 17.512 22.931 20.197 1.00 0.00 C ATOM 1990 CG1 ILE B 61 16.109 23.162 19.587 1.00 0.00 C ATOM 1991 CG2 ILE B 61 18.511 22.733 19.038 1.00 0.00 C ATOM 1992 CD1 ILE B 61 15.114 23.906 20.487 1.00 0.00 C ATOM 0 H ILE B 61 16.133 20.429 20.652 1.00 0.00 H new ATOM 0 HA ILE B 61 18.713 21.648 21.409 1.00 0.00 H new ATOM 0 HB ILE B 61 17.719 23.817 20.797 1.00 0.00 H new ATOM 0 HG12 ILE B 61 16.223 23.722 18.659 1.00 0.00 H new ATOM 0 HG13 ILE B 61 15.682 22.194 19.324 1.00 0.00 H new ATOM 0 HG21 ILE B 61 18.416 23.557 18.331 1.00 0.00 H new ATOM 0 HG22 ILE B 61 19.527 22.709 19.433 1.00 0.00 H new ATOM 0 HG23 ILE B 61 18.297 21.793 18.530 1.00 0.00 H new ATOM 0 HD11 ILE B 61 14.163 24.016 19.965 1.00 0.00 H new ATOM 0 HD12 ILE B 61 14.961 23.340 21.406 1.00 0.00 H new ATOM 0 HD13 ILE B 61 15.510 24.892 20.730 1.00 0.00 H new ATOM 2004 N GLU B 62 17.573 22.856 23.396 1.00 0.00 N ATOM 2005 CA GLU B 62 16.941 23.317 24.641 1.00 0.00 C ATOM 2006 C GLU B 62 15.805 24.307 24.338 1.00 0.00 C ATOM 2007 O GLU B 62 15.972 25.246 23.555 1.00 0.00 O ATOM 2008 CB GLU B 62 17.971 23.943 25.592 1.00 0.00 C ATOM 2009 CG GLU B 62 18.996 22.907 26.092 1.00 0.00 C ATOM 2010 CD GLU B 62 19.975 23.498 27.125 1.00 0.00 C ATOM 2011 OE1 GLU B 62 20.345 22.779 28.084 1.00 0.00 O ATOM 2012 OE2 GLU B 62 20.379 24.679 26.985 1.00 0.00 O1- ATOM 0 H GLU B 62 18.518 23.213 23.253 1.00 0.00 H new ATOM 0 HA GLU B 62 16.515 22.447 25.141 1.00 0.00 H new ATOM 0 HB2 GLU B 62 18.493 24.752 25.081 1.00 0.00 H new ATOM 0 HB3 GLU B 62 17.456 24.385 26.445 1.00 0.00 H new ATOM 0 HG2 GLU B 62 18.468 22.064 26.537 1.00 0.00 H new ATOM 0 HG3 GLU B 62 19.559 22.518 25.243 1.00 0.00 H new ATOM 2019 N GLU B 63 14.626 24.088 24.930 1.00 0.00 N ATOM 2020 CA GLU B 63 13.382 24.760 24.516 1.00 0.00 C ATOM 2021 C GLU B 63 13.349 26.264 24.833 1.00 0.00 C ATOM 2022 O GLU B 63 12.814 27.041 24.037 1.00 0.00 O ATOM 2023 CB GLU B 63 12.173 23.987 25.079 1.00 0.00 C ATOM 2024 CG GLU B 63 11.992 24.005 26.611 1.00 0.00 C ATOM 2025 CD GLU B 63 11.133 25.162 27.152 1.00 0.00 C ATOM 2026 OE1 GLU B 63 11.432 25.662 28.264 1.00 0.00 O ATOM 2027 OE2 GLU B 63 10.126 25.557 26.517 1.00 0.00 O1- ATOM 0 H GLU B 63 14.504 23.441 25.709 1.00 0.00 H new ATOM 0 HA GLU B 63 13.333 24.734 23.427 1.00 0.00 H new ATOM 0 HB2 GLU B 63 11.269 24.392 24.625 1.00 0.00 H new ATOM 0 HB3 GLU B 63 12.254 22.948 24.758 1.00 0.00 H new ATOM 0 HG2 GLU B 63 11.540 23.062 26.919 1.00 0.00 H new ATOM 0 HG3 GLU B 63 12.976 24.054 27.077 1.00 0.00 H new ATOM 2034 N GLN B 64 13.979 26.697 25.938 1.00 0.00 N ATOM 2035 CA GLN B 64 14.257 28.100 26.281 1.00 0.00 C ATOM 2036 C GLN B 64 15.535 28.240 27.134 1.00 0.00 C ATOM 2037 O GLN B 64 15.851 27.378 27.956 1.00 0.00 O ATOM 2038 CB GLN B 64 13.090 28.751 27.054 1.00 0.00 C ATOM 2039 CG GLN B 64 11.803 28.968 26.237 1.00 0.00 C ATOM 2040 CD GLN B 64 10.772 29.860 26.926 1.00 0.00 C ATOM 2041 OE1 GLN B 64 10.979 30.434 27.992 1.00 0.00 O ATOM 2042 NE2 GLN B 64 9.612 30.033 26.329 1.00 0.00 N ATOM 0 H GLN B 64 14.323 26.049 26.647 1.00 0.00 H new ATOM 0 HA GLN B 64 14.392 28.612 25.329 1.00 0.00 H new ATOM 0 HB2 GLN B 64 12.853 28.127 27.916 1.00 0.00 H new ATOM 0 HB3 GLN B 64 13.423 29.714 27.440 1.00 0.00 H new ATOM 0 HG2 GLN B 64 12.065 29.409 25.276 1.00 0.00 H new ATOM 0 HG3 GLN B 64 11.349 27.999 26.030 1.00 0.00 H new ATOM 0 HE21 GLN B 64 9.420 29.566 25.443 1.00 0.00 H new ATOM 0 HE22 GLN B 64 8.905 30.635 26.752 1.00 0.00 H new ATOM 2051 N ASN B 65 16.214 29.382 26.989 1.00 0.00 N ATOM 2052 CA ASN B 65 17.280 29.892 27.868 1.00 0.00 C ATOM 2053 C ASN B 65 17.129 31.426 28.096 1.00 0.00 C ATOM 2054 O ASN B 65 18.122 32.158 28.244 1.00 0.00 O ATOM 2055 CB ASN B 65 18.662 29.478 27.310 1.00 0.00 C ATOM 2056 CG ASN B 65 19.013 28.018 27.560 1.00 0.00 C ATOM 2057 OD1 ASN B 65 19.039 27.536 28.685 1.00 0.00 O ATOM 2058 ND2 ASN B 65 19.343 27.276 26.523 1.00 0.00 N ATOM 0 H ASN B 65 16.026 30.015 26.211 1.00 0.00 H new ATOM 0 HA ASN B 65 17.191 29.441 28.856 1.00 0.00 H new ATOM 0 HB2 ASN B 65 18.682 29.668 26.237 1.00 0.00 H new ATOM 0 HB3 ASN B 65 19.429 30.109 27.760 1.00 0.00 H new ATOM 0 HD21 ASN B 65 19.619 26.303 26.659 1.00 0.00 H new ATOM 0 HD22 ASN B 65 19.323 27.674 25.584 1.00 0.00 H new ATOM 2065 N ARG B 66 15.884 31.922 28.058 1.00 0.00 N ATOM 2066 CA ARG B 66 15.530 33.353 28.156 1.00 0.00 C ATOM 2067 C ARG B 66 15.807 33.950 29.542 1.00 0.00 C ATOM 2068 O ARG B 66 16.338 35.083 29.603 1.00 0.00 O ATOM 2069 CB ARG B 66 14.056 33.562 27.750 1.00 0.00 C ATOM 2070 CG ARG B 66 13.782 33.155 26.287 1.00 0.00 C ATOM 2071 CD ARG B 66 12.342 33.446 25.848 1.00 0.00 C ATOM 2072 NE ARG B 66 12.076 34.893 25.722 1.00 0.00 N ATOM 2073 CZ ARG B 66 10.916 35.463 25.441 1.00 0.00 C ATOM 2074 NH1 ARG B 66 9.830 34.775 25.254 1.00 0.00 N1+ ATOM 2075 NH2 ARG B 66 10.834 36.756 25.346 1.00 0.00 N ATOM 2076 OXT ARG B 66 15.469 33.308 30.565 1.00 0.00 O1- ATOM 0 H ARG B 66 15.066 31.322 27.955 1.00 0.00 H new ATOM 0 HA ARG B 66 16.177 33.890 27.462 1.00 0.00 H new ATOM 0 HB2 ARG B 66 13.414 32.980 28.412 1.00 0.00 H new ATOM 0 HB3 ARG B 66 13.790 34.610 27.888 1.00 0.00 H new ATOM 0 HG2 ARG B 66 14.471 33.687 25.632 1.00 0.00 H new ATOM 0 HG3 ARG B 66 13.985 32.091 26.167 1.00 0.00 H new ATOM 0 HD2 ARG B 66 12.151 32.959 24.892 1.00 0.00 H new ATOM 0 HD3 ARG B 66 11.650 33.013 26.570 1.00 0.00 H new ATOM 0 HE ARG B 66 12.869 35.518 25.867 1.00 0.00 H new ATOM 0 HH11 ARG B 66 9.853 33.758 25.322 1.00 0.00 H new ATOM 0 HH12 ARG B 66 8.955 35.252 25.039 1.00 0.00 H new ATOM 0 HH21 ARG B 66 11.664 37.331 25.488 1.00 0.00 H new ATOM 0 HH22 ARG B 66 9.940 37.196 25.129 1.00 0.00 H new TER 2090 ARG B 66