USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 683 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 11 THR OG1 : rot 180:sc= 0.219 USER MOD Set 1.2: A 12 SER OG : rot 180:sc= 0.0184 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= 1.13 (180deg=1.05) USER MOD Single : A 5 MET CE :methyl 171:sc= -0.0216 (180deg=-0.0637) USER MOD Single : A 6 SER OG : rot 82:sc= 1.23 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.125 USER MOD Single : A 17 SER OG : rot 70:sc= 1.22 USER MOD Single : A 20 GLN : amide:sc= -0.469 K(o=-0.47,f=-3.2) USER MOD Single : A 21 GLN : amide:sc= -0.513 K(o=-0.51,f=-1.3) USER MOD Single : A 26 SER OG : rot 63:sc= 1.09 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 24:sc= 0.375 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc= -0.199 USER MOD Single : A 36 GLN : amide:sc= 0.893 K(o=0.89,f=-0.81) USER MOD Single : A 38 HIS : no HE2:sc= -2.53 K(o=-2.5,f=-3.7!) USER MOD Single : A 39 ASN : amide:sc= -0.92 K(o=-0.92,f=-6.4!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00777 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 178:sc= -0.211 (180deg=-0.226) USER MOD Single : A 56 SER OG : rot 63:sc= 1.22 USER MOD Single : A 59 SER OG : rot 70:sc= 1.2 USER MOD Single : A 63 SER OG : rot -170:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.284 F(o=-0.82,f=-0.28) USER MOD Single : A 71 ASN : amide:sc= -0.252 K(o=-0.25,f=-1.5) USER MOD Single : A 74 CYS SG : rot 180:sc= -0.0268 USER MOD Single : A 77 MET CE :methyl -170:sc= 0 (180deg=-0.0737) USER MOD Single : A 80 ASN : amide:sc= -0.536 X(o=-0.54,f=-0.09) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0057 USER MOD Single : A 85 GLN : amide:sc= -0.779 K(o=-0.78,f=-2.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.013 -3.779 11.356 1.00 0.00 N ATOM 2 CA GLY A 1 -14.625 -4.865 10.582 1.00 0.00 C ATOM 3 C GLY A 1 -15.979 -4.475 10.000 1.00 0.00 C ATOM 4 O GLY A 1 -17.018 -4.862 10.544 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.095 -4.094 11.730 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.871 -2.952 10.742 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.638 -3.520 12.146 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.954 -5.153 9.772 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.746 -5.739 11.222 1.00 0.00 H new ATOM 8 N HIS A 2 -16.005 -3.744 8.883 1.00 0.00 N ATOM 9 CA HIS A 2 -17.159 -3.534 8.007 1.00 0.00 C ATOM 10 C HIS A 2 -16.605 -3.051 6.670 1.00 0.00 C ATOM 11 O HIS A 2 -15.668 -2.245 6.650 1.00 0.00 O ATOM 12 CB HIS A 2 -18.121 -2.464 8.566 1.00 0.00 C ATOM 13 CG HIS A 2 -19.492 -2.973 8.937 1.00 0.00 C ATOM 14 ND1 HIS A 2 -20.018 -3.006 10.215 1.00 0.00 N ATOM 15 CD2 HIS A 2 -20.444 -3.441 8.074 1.00 0.00 C ATOM 16 CE1 HIS A 2 -21.252 -3.539 10.132 1.00 0.00 C ATOM 17 NE2 HIS A 2 -21.528 -3.818 8.842 1.00 0.00 N ATOM 0 H HIS A 2 -15.175 -3.256 8.547 1.00 0.00 H new ATOM 0 HA HIS A 2 -17.724 -4.461 7.917 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -17.666 -2.013 9.448 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -18.232 -1.673 7.824 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -20.364 -3.504 6.999 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -21.915 -3.715 10.966 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -22.390 -4.236 8.493 1.00 0.00 H new ATOM 26 N SER A 3 -17.198 -3.476 5.561 1.00 0.00 N ATOM 27 CA SER A 3 -16.892 -2.930 4.253 1.00 0.00 C ATOM 28 C SER A 3 -17.206 -1.430 4.235 1.00 0.00 C ATOM 29 O SER A 3 -18.188 -0.969 4.828 1.00 0.00 O ATOM 30 CB SER A 3 -17.703 -3.667 3.186 1.00 0.00 C ATOM 31 OG SER A 3 -17.499 -5.071 3.225 1.00 0.00 O ATOM 0 H SER A 3 -17.905 -4.211 5.548 1.00 0.00 H new ATOM 0 HA SER A 3 -15.832 -3.065 4.037 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.762 -3.453 3.326 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.429 -3.290 2.201 1.00 0.00 H new ATOM 0 HG SER A 3 -18.038 -5.499 2.528 1.00 0.00 H new ATOM 37 N LYS A 4 -16.357 -0.673 3.544 1.00 0.00 N ATOM 38 CA LYS A 4 -16.475 0.776 3.371 1.00 0.00 C ATOM 39 C LYS A 4 -16.188 1.210 1.934 1.00 0.00 C ATOM 40 O LYS A 4 -16.371 2.380 1.603 1.00 0.00 O ATOM 41 CB LYS A 4 -15.538 1.474 4.372 1.00 0.00 C ATOM 42 CG LYS A 4 -14.060 1.224 4.032 1.00 0.00 C ATOM 43 CD LYS A 4 -13.088 1.602 5.147 1.00 0.00 C ATOM 44 CE LYS A 4 -12.479 2.999 5.031 1.00 0.00 C ATOM 45 NZ LYS A 4 -13.336 4.041 5.628 1.00 0.00 N ATOM 0 H LYS A 4 -15.540 -1.062 3.073 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.505 1.072 3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.736 2.546 4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.746 1.113 5.379 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.928 0.169 3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.805 1.789 3.136 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.608 1.528 6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.280 0.871 5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.505 3.009 5.521 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.309 3.231 3.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.828 4.949 5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.209 4.134 5.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.575 3.776 6.605 1.00 0.00 H new ATOM 59 N MET A 5 -15.700 0.292 1.097 1.00 0.00 N ATOM 60 CA MET A 5 -15.176 0.553 -0.233 1.00 0.00 C ATOM 61 C MET A 5 -15.453 -0.712 -1.071 1.00 0.00 C ATOM 62 O MET A 5 -14.539 -1.307 -1.646 1.00 0.00 O ATOM 63 CB MET A 5 -13.670 0.882 -0.105 1.00 0.00 C ATOM 64 CG MET A 5 -13.015 1.522 -1.334 1.00 0.00 C ATOM 65 SD MET A 5 -13.057 3.334 -1.413 1.00 0.00 S ATOM 66 CE MET A 5 -12.102 3.570 -2.937 1.00 0.00 C ATOM 0 H MET A 5 -15.660 -0.697 1.345 1.00 0.00 H new ATOM 0 HA MET A 5 -15.645 1.405 -0.725 1.00 0.00 H new ATOM 0 HB2 MET A 5 -13.536 1.552 0.744 1.00 0.00 H new ATOM 0 HB3 MET A 5 -13.136 -0.039 0.128 1.00 0.00 H new ATOM 0 HG2 MET A 5 -11.974 1.202 -1.373 1.00 0.00 H new ATOM 0 HG3 MET A 5 -13.503 1.129 -2.226 1.00 0.00 H new ATOM 0 HE1 MET A 5 -12.153 4.616 -3.240 1.00 0.00 H new ATOM 0 HE2 MET A 5 -11.062 3.294 -2.761 1.00 0.00 H new ATOM 0 HE3 MET A 5 -12.516 2.943 -3.726 1.00 0.00 H new ATOM 76 N SER A 6 -16.685 -1.235 -1.037 1.00 0.00 N ATOM 77 CA SER A 6 -17.031 -2.497 -1.692 1.00 0.00 C ATOM 78 C SER A 6 -17.054 -2.364 -3.212 1.00 0.00 C ATOM 79 O SER A 6 -16.685 -3.288 -3.935 1.00 0.00 O ATOM 80 CB SER A 6 -18.388 -2.991 -1.181 1.00 0.00 C ATOM 81 OG SER A 6 -19.419 -2.018 -1.320 1.00 0.00 O ATOM 0 H SER A 6 -17.468 -0.794 -0.554 1.00 0.00 H new ATOM 0 HA SER A 6 -16.259 -3.225 -1.442 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.670 -3.892 -1.726 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.296 -3.269 -0.131 1.00 0.00 H new ATOM 0 HG SER A 6 -19.767 -2.039 -2.236 1.00 0.00 H new ATOM 87 N ASP A 7 -17.553 -1.236 -3.707 1.00 0.00 N ATOM 88 CA ASP A 7 -17.746 -0.961 -5.120 1.00 0.00 C ATOM 89 C ASP A 7 -17.845 0.542 -5.239 1.00 0.00 C ATOM 90 O ASP A 7 -18.825 1.170 -4.847 1.00 0.00 O ATOM 91 CB ASP A 7 -18.986 -1.632 -5.723 1.00 0.00 C ATOM 92 CG ASP A 7 -20.247 -1.480 -4.880 1.00 0.00 C ATOM 93 OD1 ASP A 7 -20.312 -2.138 -3.816 1.00 0.00 O ATOM 94 OD2 ASP A 7 -21.191 -0.779 -5.314 1.00 0.00 O ATOM 0 H ASP A 7 -17.844 -0.462 -3.110 1.00 0.00 H new ATOM 0 HA ASP A 7 -16.911 -1.375 -5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -19.170 -1.211 -6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -18.780 -2.693 -5.862 1.00 0.00 H new ATOM 99 N VAL A 8 -16.762 1.121 -5.723 1.00 0.00 N ATOM 100 CA VAL A 8 -16.462 2.538 -5.833 1.00 0.00 C ATOM 101 C VAL A 8 -15.615 2.708 -7.100 1.00 0.00 C ATOM 102 O VAL A 8 -14.881 3.683 -7.253 1.00 0.00 O ATOM 103 CB VAL A 8 -15.720 3.015 -4.559 1.00 0.00 C ATOM 104 CG1 VAL A 8 -15.915 4.518 -4.324 1.00 0.00 C ATOM 105 CG2 VAL A 8 -16.124 2.287 -3.264 1.00 0.00 C ATOM 0 H VAL A 8 -15.994 0.555 -6.085 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.363 3.146 -5.911 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.677 2.776 -4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.381 4.818 -3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.526 5.073 -5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -16.977 4.733 -4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.552 2.689 -2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -17.188 2.435 -3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.918 1.222 -3.366 1.00 0.00 H new ATOM 115 N LYS A 9 -15.674 1.699 -7.980 1.00 0.00 N ATOM 116 CA LYS A 9 -15.098 1.593 -9.324 1.00 0.00 C ATOM 117 C LYS A 9 -13.586 1.452 -9.334 1.00 0.00 C ATOM 118 O LYS A 9 -13.049 0.791 -10.222 1.00 0.00 O ATOM 119 CB LYS A 9 -15.535 2.785 -10.182 1.00 0.00 C ATOM 120 CG LYS A 9 -17.057 2.805 -10.398 1.00 0.00 C ATOM 121 CD LYS A 9 -17.411 2.324 -11.813 1.00 0.00 C ATOM 122 CE LYS A 9 -18.745 1.591 -11.836 1.00 0.00 C ATOM 123 NZ LYS A 9 -19.102 1.147 -13.197 1.00 0.00 N ATOM 0 H LYS A 9 -16.181 0.847 -7.740 1.00 0.00 H new ATOM 0 HA LYS A 9 -15.486 0.668 -9.752 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.224 3.712 -9.701 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -15.031 2.742 -11.148 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.542 2.167 -9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -17.438 3.815 -10.246 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -17.452 3.178 -12.489 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.626 1.664 -12.181 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.697 0.727 -11.173 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -19.526 2.246 -11.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -20.016 0.652 -13.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -19.173 1.973 -13.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -18.369 0.502 -13.555 1.00 0.00 H new ATOM 137 N CYS A 10 -12.901 2.035 -8.357 1.00 0.00 N ATOM 138 CA CYS A 10 -11.477 1.907 -8.155 1.00 0.00 C ATOM 139 C CYS A 10 -11.241 1.574 -6.689 1.00 0.00 C ATOM 140 O CYS A 10 -10.602 2.340 -5.967 1.00 0.00 O ATOM 141 CB CYS A 10 -10.767 3.197 -8.611 1.00 0.00 C ATOM 142 SG CYS A 10 -11.171 3.587 -10.338 1.00 0.00 S ATOM 0 H CYS A 10 -13.347 2.632 -7.661 1.00 0.00 H new ATOM 0 HA CYS A 10 -11.055 1.102 -8.756 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -11.063 4.026 -7.968 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -9.689 3.080 -8.504 1.00 0.00 H new ATOM 0 HG CYS A 10 -10.560 4.679 -10.691 1.00 0.00 H new ATOM 148 N THR A 11 -11.788 0.440 -6.242 1.00 0.00 N ATOM 149 CA THR A 11 -11.630 -0.012 -4.871 1.00 0.00 C ATOM 150 C THR A 11 -10.217 -0.561 -4.717 1.00 0.00 C ATOM 151 O THR A 11 -9.249 0.188 -4.520 1.00 0.00 O ATOM 152 CB THR A 11 -12.776 -0.971 -4.453 1.00 0.00 C ATOM 153 OG1 THR A 11 -12.834 -2.227 -5.107 1.00 0.00 O ATOM 154 CG2 THR A 11 -14.117 -0.319 -4.754 1.00 0.00 C ATOM 0 H THR A 11 -12.349 -0.183 -6.823 1.00 0.00 H new ATOM 0 HA THR A 11 -11.729 0.811 -4.163 1.00 0.00 H new ATOM 0 HB THR A 11 -12.567 -1.153 -3.399 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.593 -2.742 -4.760 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.923 -0.992 -4.461 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.202 0.613 -4.196 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.189 -0.111 -5.821 1.00 0.00 H new ATOM 162 N SER A 12 -10.040 -1.863 -4.908 1.00 0.00 N ATOM 163 CA SER A 12 -8.773 -2.473 -4.590 1.00 0.00 C ATOM 164 C SER A 12 -7.900 -2.519 -5.850 1.00 0.00 C ATOM 165 O SER A 12 -6.951 -3.293 -5.901 1.00 0.00 O ATOM 166 CB SER A 12 -9.070 -3.842 -3.952 1.00 0.00 C ATOM 167 OG SER A 12 -10.023 -4.594 -4.689 1.00 0.00 O ATOM 0 H SER A 12 -10.748 -2.499 -5.275 1.00 0.00 H new ATOM 0 HA SER A 12 -8.193 -1.901 -3.866 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.144 -4.412 -3.876 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.437 -3.693 -2.937 1.00 0.00 H new ATOM 0 HG SER A 12 -10.176 -5.454 -4.245 1.00 0.00 H new ATOM 173 N VAL A 13 -8.010 -1.494 -6.701 1.00 0.00 N ATOM 174 CA VAL A 13 -7.334 -1.414 -7.991 1.00 0.00 C ATOM 175 C VAL A 13 -6.139 -0.478 -7.870 1.00 0.00 C ATOM 176 O VAL A 13 -5.098 -0.719 -8.468 1.00 0.00 O ATOM 177 CB VAL A 13 -8.305 -0.980 -9.123 1.00 0.00 C ATOM 178 CG1 VAL A 13 -9.685 -1.656 -9.028 1.00 0.00 C ATOM 179 CG2 VAL A 13 -8.542 0.535 -9.181 1.00 0.00 C ATOM 0 H VAL A 13 -8.588 -0.677 -6.502 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.975 -2.405 -8.269 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.793 -1.304 -10.029 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.316 -1.311 -9.847 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.566 -2.738 -9.093 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.151 -1.399 -8.077 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.230 0.765 -9.995 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.971 0.873 -8.237 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.594 1.045 -9.352 1.00 0.00 H new ATOM 189 N VAL A 14 -6.264 0.584 -7.066 1.00 0.00 N ATOM 190 CA VAL A 14 -5.314 1.689 -7.050 1.00 0.00 C ATOM 191 C VAL A 14 -3.918 1.212 -6.639 1.00 0.00 C ATOM 192 O VAL A 14 -2.937 1.471 -7.321 1.00 0.00 O ATOM 193 CB VAL A 14 -5.857 2.914 -6.308 1.00 0.00 C ATOM 194 CG1 VAL A 14 -7.119 3.481 -6.973 1.00 0.00 C ATOM 195 CG2 VAL A 14 -6.236 2.501 -4.909 1.00 0.00 C ATOM 0 H VAL A 14 -7.034 0.696 -6.406 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.184 2.059 -8.067 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.078 3.677 -6.319 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.468 4.348 -6.412 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.889 3.779 -7.996 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.898 2.719 -6.984 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.625 3.364 -4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.001 1.726 -4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.357 2.115 -4.393 1.00 0.00 H new ATOM 205 N LEU A 15 -3.809 0.388 -5.594 1.00 0.00 N ATOM 206 CA LEU A 15 -2.520 -0.150 -5.166 1.00 0.00 C ATOM 207 C LEU A 15 -2.022 -1.241 -6.110 1.00 0.00 C ATOM 208 O LEU A 15 -0.813 -1.414 -6.262 1.00 0.00 O ATOM 209 CB LEU A 15 -2.655 -0.660 -3.730 1.00 0.00 C ATOM 210 CG LEU A 15 -1.337 -1.046 -3.049 1.00 0.00 C ATOM 211 CD1 LEU A 15 -0.342 0.122 -3.003 1.00 0.00 C ATOM 212 CD2 LEU A 15 -1.633 -1.538 -1.630 1.00 0.00 C ATOM 0 H LEU A 15 -4.601 0.080 -5.029 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.771 0.641 -5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.143 0.110 -3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.314 -1.528 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.873 -1.838 -3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.576 -0.201 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.115 0.447 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.779 0.951 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.700 -1.815 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.120 -0.744 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.290 -2.406 -1.676 1.00 0.00 H new ATOM 224 N LEU A 16 -2.946 -1.943 -6.770 1.00 0.00 N ATOM 225 CA LEU A 16 -2.637 -2.844 -7.881 1.00 0.00 C ATOM 226 C LEU A 16 -2.155 -2.059 -9.120 1.00 0.00 C ATOM 227 O LEU A 16 -1.544 -2.636 -10.016 1.00 0.00 O ATOM 228 CB LEU A 16 -3.858 -3.725 -8.224 1.00 0.00 C ATOM 229 CG LEU A 16 -3.890 -5.115 -7.554 1.00 0.00 C ATOM 230 CD1 LEU A 16 -3.808 -5.048 -6.020 1.00 0.00 C ATOM 231 CD2 LEU A 16 -5.164 -5.857 -7.961 1.00 0.00 C ATOM 0 H LEU A 16 -3.940 -1.901 -6.545 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.823 -3.498 -7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.762 -3.186 -7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.892 -3.862 -9.305 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.006 -5.650 -7.901 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.835 -6.057 -5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.878 -4.562 -5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.653 -4.477 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.182 -6.838 -7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.036 -5.284 -7.644 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.184 -5.979 -9.044 1.00 0.00 H new ATOM 243 N SER A 17 -2.375 -0.745 -9.152 1.00 0.00 N ATOM 244 CA SER A 17 -1.927 0.172 -10.190 1.00 0.00 C ATOM 245 C SER A 17 -0.680 0.963 -9.760 1.00 0.00 C ATOM 246 O SER A 17 -0.191 1.799 -10.518 1.00 0.00 O ATOM 247 CB SER A 17 -3.073 1.121 -10.561 1.00 0.00 C ATOM 248 OG SER A 17 -4.270 0.404 -10.824 1.00 0.00 O ATOM 0 H SER A 17 -2.898 -0.271 -8.415 1.00 0.00 H new ATOM 0 HA SER A 17 -1.643 -0.414 -11.064 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.241 1.828 -9.748 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.795 1.705 -11.439 1.00 0.00 H new ATOM 0 HG SER A 17 -4.616 0.028 -9.988 1.00 0.00 H new ATOM 254 N VAL A 18 -0.173 0.738 -8.541 1.00 0.00 N ATOM 255 CA VAL A 18 0.990 1.433 -8.002 1.00 0.00 C ATOM 256 C VAL A 18 2.094 0.454 -7.636 1.00 0.00 C ATOM 257 O VAL A 18 3.145 0.458 -8.270 1.00 0.00 O ATOM 258 CB VAL A 18 0.563 2.403 -6.876 1.00 0.00 C ATOM 259 CG1 VAL A 18 1.757 3.085 -6.193 1.00 0.00 C ATOM 260 CG2 VAL A 18 -0.341 3.524 -7.407 1.00 0.00 C ATOM 0 H VAL A 18 -0.570 0.055 -7.895 1.00 0.00 H new ATOM 0 HA VAL A 18 1.435 2.065 -8.770 1.00 0.00 H new ATOM 0 HB VAL A 18 0.032 1.778 -6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.396 3.754 -5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.405 2.328 -5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.319 3.658 -6.930 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.620 4.185 -6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.194 4.094 -8.167 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.240 3.090 -7.845 1.00 0.00 H new ATOM 270 N LEU A 19 1.888 -0.350 -6.591 1.00 0.00 N ATOM 271 CA LEU A 19 2.956 -1.165 -6.030 1.00 0.00 C ATOM 272 C LEU A 19 3.166 -2.364 -6.940 1.00 0.00 C ATOM 273 O LEU A 19 4.137 -2.392 -7.689 1.00 0.00 O ATOM 274 CB LEU A 19 2.642 -1.524 -4.564 1.00 0.00 C ATOM 275 CG LEU A 19 3.592 -0.912 -3.527 1.00 0.00 C ATOM 276 CD1 LEU A 19 4.905 -1.685 -3.411 1.00 0.00 C ATOM 277 CD2 LEU A 19 3.856 0.583 -3.703 1.00 0.00 C ATOM 0 H LEU A 19 0.989 -0.451 -6.119 1.00 0.00 H new ATOM 0 HA LEU A 19 3.899 -0.620 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.625 -1.203 -4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.664 -2.609 -4.459 1.00 0.00 H new ATOM 0 HG LEU A 19 3.050 -1.008 -2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.542 -1.211 -2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.697 -2.712 -3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.414 -1.684 -4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.538 0.926 -2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.303 0.761 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.916 1.130 -3.629 1.00 0.00 H new ATOM 289 N GLN A 20 2.239 -3.325 -6.931 1.00 0.00 N ATOM 290 CA GLN A 20 2.342 -4.537 -7.746 1.00 0.00 C ATOM 291 C GLN A 20 2.692 -4.276 -9.209 1.00 0.00 C ATOM 292 O GLN A 20 3.394 -5.070 -9.815 1.00 0.00 O ATOM 293 CB GLN A 20 1.068 -5.371 -7.627 1.00 0.00 C ATOM 294 CG GLN A 20 -0.051 -5.113 -8.635 1.00 0.00 C ATOM 295 CD GLN A 20 0.175 -5.700 -10.042 1.00 0.00 C ATOM 296 OE1 GLN A 20 0.715 -6.789 -10.213 1.00 0.00 O ATOM 297 NE2 GLN A 20 -0.219 -4.966 -11.069 1.00 0.00 N ATOM 0 H GLN A 20 1.396 -3.284 -6.358 1.00 0.00 H new ATOM 0 HA GLN A 20 3.183 -5.101 -7.343 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.348 -6.422 -7.700 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.660 -5.218 -6.628 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.979 -5.522 -8.234 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.191 -4.036 -8.728 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.666 -4.063 -10.909 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.076 -5.303 -12.021 1.00 0.00 H new ATOM 306 N GLN A 21 2.200 -3.146 -9.722 1.00 0.00 N ATOM 307 CA GLN A 21 2.315 -2.637 -11.086 1.00 0.00 C ATOM 308 C GLN A 21 3.719 -2.824 -11.686 1.00 0.00 C ATOM 309 O GLN A 21 3.822 -2.968 -12.904 1.00 0.00 O ATOM 310 CB GLN A 21 1.861 -1.165 -11.071 1.00 0.00 C ATOM 311 CG GLN A 21 1.653 -0.495 -12.438 1.00 0.00 C ATOM 312 CD GLN A 21 0.321 -0.816 -13.121 1.00 0.00 C ATOM 313 OE1 GLN A 21 -0.608 -0.010 -13.115 1.00 0.00 O ATOM 314 NE2 GLN A 21 0.169 -1.977 -13.734 1.00 0.00 N ATOM 0 H GLN A 21 1.662 -2.507 -9.137 1.00 0.00 H new ATOM 0 HA GLN A 21 1.671 -3.217 -11.747 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.925 -1.103 -10.515 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.600 -0.586 -10.517 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.728 0.585 -12.311 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.465 -0.795 -13.100 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.934 -2.652 -13.745 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.713 -2.198 -14.197 1.00 0.00 H new ATOM 323 N LEU A 22 4.770 -2.839 -10.852 1.00 0.00 N ATOM 324 CA LEU A 22 6.103 -3.365 -11.166 1.00 0.00 C ATOM 325 C LEU A 22 6.802 -4.006 -9.966 1.00 0.00 C ATOM 326 O LEU A 22 7.777 -4.734 -10.157 1.00 0.00 O ATOM 327 CB LEU A 22 7.011 -2.240 -11.658 1.00 0.00 C ATOM 328 CG LEU A 22 6.800 -1.967 -13.159 1.00 0.00 C ATOM 329 CD1 LEU A 22 6.113 -0.623 -13.365 1.00 0.00 C ATOM 330 CD2 LEU A 22 8.131 -2.053 -13.892 1.00 0.00 C ATOM 0 H LEU A 22 4.710 -2.470 -9.903 1.00 0.00 H new ATOM 0 HA LEU A 22 5.942 -4.127 -11.928 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.810 -1.332 -11.089 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.053 -2.505 -11.477 1.00 0.00 H new ATOM 0 HG LEU A 22 6.142 -2.728 -13.579 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.972 -0.446 -14.431 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.144 -0.630 -12.867 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.731 0.170 -12.945 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.975 -1.859 -14.953 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.819 -1.312 -13.485 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.553 -3.050 -13.764 1.00 0.00 H new ATOM 342 N ARG A 23 6.435 -3.664 -8.729 1.00 0.00 N ATOM 343 CA ARG A 23 7.198 -4.028 -7.542 1.00 0.00 C ATOM 344 C ARG A 23 6.953 -5.487 -7.172 1.00 0.00 C ATOM 345 O ARG A 23 7.810 -6.342 -7.374 1.00 0.00 O ATOM 346 CB ARG A 23 6.846 -3.061 -6.387 1.00 0.00 C ATOM 347 CG ARG A 23 7.045 -1.561 -6.666 1.00 0.00 C ATOM 348 CD ARG A 23 8.540 -1.388 -6.754 1.00 0.00 C ATOM 349 NE ARG A 23 8.975 0.013 -6.779 1.00 0.00 N ATOM 350 CZ ARG A 23 10.262 0.378 -6.848 1.00 0.00 C ATOM 351 NH1 ARG A 23 11.224 -0.527 -7.013 1.00 0.00 N ATOM 352 NH2 ARG A 23 10.596 1.656 -6.740 1.00 0.00 N ATOM 0 H ARG A 23 5.594 -3.123 -8.526 1.00 0.00 H new ATOM 0 HA ARG A 23 8.264 -3.932 -7.746 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.804 -3.222 -6.112 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.449 -3.330 -5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.556 -1.261 -7.593 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.621 -0.950 -5.870 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.005 -1.888 -5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.902 -1.887 -7.653 1.00 0.00 H new ATOM 0 HE ARG A 23 8.264 0.743 -6.742 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.986 -1.516 -7.089 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.199 -0.232 -7.063 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.873 2.362 -6.604 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.576 1.933 -6.793 1.00 0.00 H new ATOM 366 N VAL A 24 5.775 -5.725 -6.619 1.00 0.00 N ATOM 367 CA VAL A 24 5.282 -6.991 -6.063 1.00 0.00 C ATOM 368 C VAL A 24 4.302 -7.581 -7.064 1.00 0.00 C ATOM 369 O VAL A 24 3.098 -7.664 -6.829 1.00 0.00 O ATOM 370 CB VAL A 24 4.722 -6.799 -4.632 1.00 0.00 C ATOM 371 CG1 VAL A 24 3.787 -5.584 -4.514 1.00 0.00 C ATOM 372 CG2 VAL A 24 4.030 -8.027 -4.027 1.00 0.00 C ATOM 0 H VAL A 24 5.078 -4.985 -6.537 1.00 0.00 H new ATOM 0 HA VAL A 24 6.089 -7.711 -5.927 1.00 0.00 H new ATOM 0 HB VAL A 24 5.625 -6.625 -4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.426 -5.501 -3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.332 -4.678 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.940 -5.710 -5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.674 -7.787 -3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.185 -8.314 -4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.738 -8.854 -3.973 1.00 0.00 H new ATOM 382 N GLU A 25 4.826 -7.894 -8.236 1.00 0.00 N ATOM 383 CA GLU A 25 4.055 -8.415 -9.351 1.00 0.00 C ATOM 384 C GLU A 25 3.231 -9.629 -8.913 1.00 0.00 C ATOM 385 O GLU A 25 3.789 -10.594 -8.381 1.00 0.00 O ATOM 386 CB GLU A 25 4.943 -8.649 -10.544 1.00 0.00 C ATOM 387 CG GLU A 25 5.004 -7.401 -11.432 1.00 0.00 C ATOM 388 CD GLU A 25 5.953 -7.618 -12.595 1.00 0.00 C ATOM 389 OE1 GLU A 25 5.561 -8.299 -13.572 1.00 0.00 O ATOM 390 OE2 GLU A 25 7.104 -7.134 -12.518 1.00 0.00 O ATOM 0 H GLU A 25 5.819 -7.791 -8.443 1.00 0.00 H new ATOM 0 HA GLU A 25 3.324 -7.676 -9.679 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.947 -8.912 -10.210 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.568 -9.494 -11.122 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.008 -7.166 -11.808 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.332 -6.545 -10.843 1.00 0.00 H new ATOM 397 N SER A 26 1.907 -9.508 -9.072 1.00 0.00 N ATOM 398 CA SER A 26 0.821 -10.225 -8.405 1.00 0.00 C ATOM 399 C SER A 26 0.945 -11.759 -8.441 1.00 0.00 C ATOM 400 O SER A 26 0.195 -12.446 -9.136 1.00 0.00 O ATOM 401 CB SER A 26 -0.490 -9.696 -9.018 1.00 0.00 C ATOM 402 OG SER A 26 -1.652 -10.306 -8.493 1.00 0.00 O ATOM 0 H SER A 26 1.535 -8.834 -9.742 1.00 0.00 H new ATOM 0 HA SER A 26 0.855 -10.026 -7.334 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.549 -8.620 -8.853 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.465 -9.852 -10.097 1.00 0.00 H new ATOM 0 HG SER A 26 -1.725 -10.103 -7.537 1.00 0.00 H new ATOM 408 N SER A 27 1.831 -12.316 -7.618 1.00 0.00 N ATOM 409 CA SER A 27 2.086 -13.740 -7.435 1.00 0.00 C ATOM 410 C SER A 27 2.243 -14.041 -5.940 1.00 0.00 C ATOM 411 O SER A 27 3.258 -14.591 -5.515 1.00 0.00 O ATOM 412 CB SER A 27 3.337 -14.137 -8.226 1.00 0.00 C ATOM 413 OG SER A 27 3.133 -14.019 -9.624 1.00 0.00 O ATOM 0 H SER A 27 2.429 -11.744 -7.022 1.00 0.00 H new ATOM 0 HA SER A 27 1.248 -14.327 -7.811 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.173 -13.505 -7.926 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.610 -15.164 -7.984 1.00 0.00 H new ATOM 0 HG SER A 27 3.951 -14.278 -10.097 1.00 0.00 H new ATOM 419 N SER A 28 1.259 -13.648 -5.128 1.00 0.00 N ATOM 420 CA SER A 28 1.214 -13.977 -3.711 1.00 0.00 C ATOM 421 C SER A 28 -0.229 -13.958 -3.213 1.00 0.00 C ATOM 422 O SER A 28 -1.051 -13.164 -3.682 1.00 0.00 O ATOM 423 CB SER A 28 2.003 -12.932 -2.912 1.00 0.00 C ATOM 424 OG SER A 28 3.396 -13.128 -2.928 1.00 0.00 O ATOM 0 H SER A 28 0.467 -13.088 -5.443 1.00 0.00 H new ATOM 0 HA SER A 28 1.645 -14.969 -3.575 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.782 -11.942 -3.311 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.657 -12.944 -1.878 1.00 0.00 H new ATOM 0 HG SER A 28 3.645 -13.639 -3.726 1.00 0.00 H new ATOM 430 N LYS A 29 -0.500 -14.719 -2.151 1.00 0.00 N ATOM 431 CA LYS A 29 -1.590 -14.440 -1.217 1.00 0.00 C ATOM 432 C LYS A 29 -1.094 -13.609 -0.033 1.00 0.00 C ATOM 433 O LYS A 29 -1.828 -12.741 0.425 1.00 0.00 O ATOM 434 CB LYS A 29 -2.240 -15.745 -0.732 1.00 0.00 C ATOM 435 CG LYS A 29 -3.672 -15.953 -1.253 1.00 0.00 C ATOM 436 CD LYS A 29 -3.739 -16.515 -2.678 1.00 0.00 C ATOM 437 CE LYS A 29 -3.528 -15.488 -3.795 1.00 0.00 C ATOM 438 NZ LYS A 29 -3.497 -16.125 -5.130 1.00 0.00 N ATOM 0 H LYS A 29 0.036 -15.554 -1.914 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.346 -13.859 -1.745 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.623 -16.587 -1.046 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.255 -15.750 0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.198 -16.631 -0.581 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.201 -15.000 -1.223 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.987 -17.297 -2.779 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.711 -16.988 -2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.328 -14.748 -3.764 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.593 -14.954 -3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.352 -15.397 -5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.718 -16.813 -5.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.399 -16.613 -5.303 1.00 0.00 H new ATOM 452 N LEU A 30 0.150 -13.795 0.429 1.00 0.00 N ATOM 453 CA LEU A 30 0.747 -13.034 1.527 1.00 0.00 C ATOM 454 C LEU A 30 0.622 -11.532 1.285 1.00 0.00 C ATOM 455 O LEU A 30 0.097 -10.812 2.129 1.00 0.00 O ATOM 456 CB LEU A 30 2.197 -13.516 1.690 1.00 0.00 C ATOM 457 CG LEU A 30 3.215 -12.664 2.468 1.00 0.00 C ATOM 458 CD1 LEU A 30 3.838 -11.529 1.653 1.00 0.00 C ATOM 459 CD2 LEU A 30 2.689 -12.173 3.815 1.00 0.00 C ATOM 0 H LEU A 30 0.781 -14.495 0.039 1.00 0.00 H new ATOM 0 HA LEU A 30 0.218 -13.209 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.160 -14.494 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.601 -13.668 0.689 1.00 0.00 H new ATOM 0 HG LEU A 30 4.029 -13.357 2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.543 -10.979 2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.362 -11.944 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.054 -10.854 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.457 -11.579 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.801 -11.560 3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.433 -13.029 4.439 1.00 0.00 H new ATOM 471 N TRP A 31 1.068 -11.044 0.128 1.00 0.00 N ATOM 472 CA TRP A 31 1.010 -9.616 -0.155 1.00 0.00 C ATOM 473 C TRP A 31 -0.453 -9.139 -0.169 1.00 0.00 C ATOM 474 O TRP A 31 -0.780 -8.048 0.309 1.00 0.00 O ATOM 475 CB TRP A 31 1.729 -9.338 -1.481 1.00 0.00 C ATOM 476 CG TRP A 31 1.062 -8.414 -2.454 1.00 0.00 C ATOM 477 CD1 TRP A 31 1.159 -7.071 -2.437 1.00 0.00 C ATOM 478 CD2 TRP A 31 0.187 -8.731 -3.582 1.00 0.00 C ATOM 479 NE1 TRP A 31 0.548 -6.553 -3.559 1.00 0.00 N ATOM 480 CE2 TRP A 31 -0.130 -7.520 -4.262 1.00 0.00 C ATOM 481 CE3 TRP A 31 -0.398 -9.909 -4.083 1.00 0.00 C ATOM 482 CZ2 TRP A 31 -0.991 -7.472 -5.366 1.00 0.00 C ATOM 483 CZ3 TRP A 31 -1.266 -9.881 -5.191 1.00 0.00 C ATOM 484 CH2 TRP A 31 -1.569 -8.663 -5.826 1.00 0.00 C ATOM 0 H TRP A 31 1.469 -11.611 -0.619 1.00 0.00 H new ATOM 0 HA TRP A 31 1.519 -9.053 0.627 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.713 -8.929 -1.250 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.891 -10.293 -1.982 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.641 -6.490 -1.664 1.00 0.00 H new ATOM 0 HE1 TRP A 31 0.594 -5.572 -3.834 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.177 -10.853 -3.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.206 -6.533 -5.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.702 -10.800 -5.555 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.246 -8.646 -6.667 1.00 0.00 H new ATOM 495 N ALA A 32 -1.342 -9.972 -0.723 1.00 0.00 N ATOM 496 CA ALA A 32 -2.765 -9.712 -0.852 1.00 0.00 C ATOM 497 C ALA A 32 -3.445 -9.592 0.514 1.00 0.00 C ATOM 498 O ALA A 32 -4.319 -8.747 0.701 1.00 0.00 O ATOM 499 CB ALA A 32 -3.426 -10.777 -1.726 1.00 0.00 C ATOM 0 H ALA A 32 -1.071 -10.878 -1.106 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.889 -8.749 -1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.492 -10.567 -1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.973 -10.767 -2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.285 -11.758 -1.273 1.00 0.00 H new ATOM 505 N GLN A 33 -2.952 -10.321 1.509 1.00 0.00 N ATOM 506 CA GLN A 33 -3.253 -10.176 2.918 1.00 0.00 C ATOM 507 C GLN A 33 -2.976 -8.758 3.463 1.00 0.00 C ATOM 508 O GLN A 33 -3.269 -8.513 4.632 1.00 0.00 O ATOM 509 CB GLN A 33 -2.459 -11.255 3.676 1.00 0.00 C ATOM 510 CG GLN A 33 -3.293 -11.994 4.714 1.00 0.00 C ATOM 511 CD GLN A 33 -2.443 -13.037 5.438 1.00 0.00 C ATOM 512 OE1 GLN A 33 -2.253 -14.147 4.943 1.00 0.00 O ATOM 513 NE2 GLN A 33 -1.899 -12.715 6.594 1.00 0.00 N ATOM 0 H GLN A 33 -2.289 -11.076 1.335 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.323 -10.315 3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.061 -11.974 2.960 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.605 -10.790 4.169 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.700 -11.284 5.434 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.141 -12.479 4.230 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.063 -11.792 6.995 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.314 -13.389 7.088 1.00 0.00 H new ATOM 522 N CYS A 34 -2.504 -7.790 2.662 1.00 0.00 N ATOM 523 CA CYS A 34 -2.263 -6.421 3.088 1.00 0.00 C ATOM 524 C CYS A 34 -2.876 -5.522 2.045 1.00 0.00 C ATOM 525 O CYS A 34 -3.376 -4.436 2.360 1.00 0.00 O ATOM 526 CB CYS A 34 -0.763 -6.146 3.234 1.00 0.00 C ATOM 527 SG CYS A 34 -0.464 -5.144 4.713 1.00 0.00 S ATOM 0 H CYS A 34 -2.277 -7.951 1.681 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.710 -6.239 4.065 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.217 -7.087 3.304 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.391 -5.627 2.351 1.00 0.00 H new ATOM 0 HG CYS A 34 0.810 -4.916 4.832 1.00 0.00 H new ATOM 533 N VAL A 35 -2.944 -6.004 0.801 1.00 0.00 N ATOM 534 CA VAL A 35 -3.739 -5.312 -0.159 1.00 0.00 C ATOM 535 C VAL A 35 -5.203 -5.169 0.285 1.00 0.00 C ATOM 536 O VAL A 35 -5.815 -4.131 0.025 1.00 0.00 O ATOM 537 CB VAL A 35 -3.613 -5.857 -1.574 1.00 0.00 C ATOM 538 CG1 VAL A 35 -2.180 -6.081 -2.037 1.00 0.00 C ATOM 539 CG2 VAL A 35 -4.622 -6.890 -2.094 1.00 0.00 C ATOM 0 H VAL A 35 -2.469 -6.841 0.464 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.321 -4.306 -0.202 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.991 -4.989 -2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.183 -6.470 -3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.637 -5.136 -2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.692 -6.798 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.371 -7.159 -3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.587 -7.780 -1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.625 -6.465 -2.065 1.00 0.00 H new ATOM 549 N GLN A 36 -5.739 -6.175 0.976 1.00 0.00 N ATOM 550 CA GLN A 36 -7.092 -6.177 1.530 1.00 0.00 C ATOM 551 C GLN A 36 -7.351 -4.938 2.407 1.00 0.00 C ATOM 552 O GLN A 36 -8.429 -4.347 2.355 1.00 0.00 O ATOM 553 CB GLN A 36 -7.342 -7.492 2.301 1.00 0.00 C ATOM 554 CG GLN A 36 -6.373 -7.769 3.471 1.00 0.00 C ATOM 555 CD GLN A 36 -6.785 -8.928 4.379 1.00 0.00 C ATOM 556 OE1 GLN A 36 -7.910 -9.418 4.331 1.00 0.00 O ATOM 557 NE2 GLN A 36 -5.903 -9.368 5.258 1.00 0.00 N ATOM 0 H GLN A 36 -5.228 -7.036 1.171 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.803 -6.123 0.706 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.360 -7.477 2.691 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.282 -8.323 1.598 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.384 -7.978 3.064 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.285 -6.866 4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.970 -8.957 5.294 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.155 -10.118 5.901 1.00 0.00 H new ATOM 566 N LEU A 37 -6.369 -4.551 3.219 1.00 0.00 N ATOM 567 CA LEU A 37 -6.348 -3.445 4.146 1.00 0.00 C ATOM 568 C LEU A 37 -6.140 -2.145 3.406 1.00 0.00 C ATOM 569 O LEU A 37 -6.835 -1.180 3.714 1.00 0.00 O ATOM 570 CB LEU A 37 -5.221 -3.685 5.171 1.00 0.00 C ATOM 571 CG LEU A 37 -5.710 -3.773 6.622 1.00 0.00 C ATOM 572 CD1 LEU A 37 -6.092 -2.394 7.149 1.00 0.00 C ATOM 573 CD2 LEU A 37 -6.872 -4.762 6.800 1.00 0.00 C ATOM 0 H LEU A 37 -5.486 -5.061 3.238 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.302 -3.377 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.702 -4.609 4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.493 -2.878 5.091 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.876 -4.158 7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.436 -2.481 8.180 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.224 -1.736 7.110 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.890 -1.978 6.534 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.176 -4.782 7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.714 -4.448 6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.551 -5.759 6.496 1.00 0.00 H new ATOM 585 N HIS A 38 -5.280 -2.106 2.375 1.00 0.00 N ATOM 586 CA HIS A 38 -5.170 -0.895 1.574 1.00 0.00 C ATOM 587 C HIS A 38 -6.552 -0.447 1.079 1.00 0.00 C ATOM 588 O HIS A 38 -6.779 0.749 0.943 1.00 0.00 O ATOM 589 CB HIS A 38 -4.193 -1.056 0.403 1.00 0.00 C ATOM 590 CG HIS A 38 -4.838 -1.042 -0.973 1.00 0.00 C ATOM 591 ND1 HIS A 38 -5.236 -2.143 -1.698 1.00 0.00 N ATOM 592 CD2 HIS A 38 -5.236 0.066 -1.667 1.00 0.00 C ATOM 593 CE1 HIS A 38 -5.847 -1.714 -2.816 1.00 0.00 C ATOM 594 NE2 HIS A 38 -5.897 -0.364 -2.801 1.00 0.00 N ATOM 0 H HIS A 38 -4.674 -2.875 2.090 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.762 -0.118 2.220 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.455 -0.255 0.451 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.653 -1.995 0.526 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -5.092 -3.117 -1.432 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.065 1.093 -1.380 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.235 -2.347 -3.600 1.00 0.00 H new ATOM 603 N ASN A 39 -7.440 -1.401 0.746 1.00 0.00 N ATOM 604 CA ASN A 39 -8.766 -1.120 0.190 1.00 0.00 C ATOM 605 C ASN A 39 -9.681 -0.413 1.192 1.00 0.00 C ATOM 606 O ASN A 39 -10.655 0.226 0.808 1.00 0.00 O ATOM 607 CB ASN A 39 -9.460 -2.406 -0.278 1.00 0.00 C ATOM 608 CG ASN A 39 -10.736 -2.053 -1.044 1.00 0.00 C ATOM 609 OD1 ASN A 39 -10.686 -1.260 -1.971 1.00 0.00 O ATOM 610 ND2 ASN A 39 -11.876 -2.635 -0.717 1.00 0.00 N ATOM 0 H ASN A 39 -7.251 -2.397 0.858 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.597 -0.459 -0.660 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.789 -2.982 -0.916 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.701 -3.034 0.580 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.725 -2.423 -1.241 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.907 -3.296 0.059 1.00 0.00 H new ATOM 617 N ASP A 40 -9.410 -0.554 2.483 1.00 0.00 N ATOM 618 CA ASP A 40 -10.052 0.224 3.525 1.00 0.00 C ATOM 619 C ASP A 40 -9.368 1.560 3.664 1.00 0.00 C ATOM 620 O ASP A 40 -10.040 2.588 3.672 1.00 0.00 O ATOM 621 CB ASP A 40 -9.990 -0.556 4.839 1.00 0.00 C ATOM 622 CG ASP A 40 -9.612 0.243 6.102 1.00 0.00 C ATOM 623 OD1 ASP A 40 -10.441 1.024 6.626 1.00 0.00 O ATOM 624 OD2 ASP A 40 -8.531 -0.028 6.657 1.00 0.00 O ATOM 0 H ASP A 40 -8.727 -1.223 2.837 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.096 0.402 3.266 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.963 -1.017 5.007 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.270 -1.365 4.720 1.00 0.00 H new ATOM 629 N ILE A 41 -8.040 1.525 3.723 1.00 0.00 N ATOM 630 CA ILE A 41 -7.204 2.674 3.995 1.00 0.00 C ATOM 631 C ILE A 41 -7.541 3.841 3.072 1.00 0.00 C ATOM 632 O ILE A 41 -7.424 4.963 3.539 1.00 0.00 O ATOM 633 CB ILE A 41 -5.727 2.229 3.965 1.00 0.00 C ATOM 634 CG1 ILE A 41 -5.438 1.438 5.267 1.00 0.00 C ATOM 635 CG2 ILE A 41 -4.767 3.400 3.862 1.00 0.00 C ATOM 636 CD1 ILE A 41 -4.155 0.609 5.251 1.00 0.00 C ATOM 0 H ILE A 41 -7.507 0.668 3.578 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.399 3.065 4.994 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.572 1.613 3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.387 2.142 6.098 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.279 0.773 5.464 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.742 3.030 3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.968 3.955 2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.901 4.057 4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.043 0.094 6.205 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.206 -0.125 4.447 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.300 1.265 5.090 1.00 0.00 H new ATOM 648 N LEU A 42 -8.040 3.613 1.845 1.00 0.00 N ATOM 649 CA LEU A 42 -8.498 4.682 0.963 1.00 0.00 C ATOM 650 C LEU A 42 -9.395 5.689 1.654 1.00 0.00 C ATOM 651 O LEU A 42 -9.272 6.859 1.296 1.00 0.00 O ATOM 652 CB LEU A 42 -9.272 4.166 -0.270 1.00 0.00 C ATOM 653 CG LEU A 42 -8.480 3.552 -1.437 1.00 0.00 C ATOM 654 CD1 LEU A 42 -6.984 3.870 -1.403 1.00 0.00 C ATOM 655 CD2 LEU A 42 -8.685 2.042 -1.464 1.00 0.00 C ATOM 0 H LEU A 42 -8.134 2.680 1.444 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.570 5.161 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.984 3.417 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.853 4.998 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.871 4.009 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.493 3.403 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.840 4.950 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.551 3.484 -0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.122 1.613 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.336 1.611 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.745 1.821 -1.593 1.00 0.00 H new ATOM 667 N LEU A 43 -10.285 5.276 2.569 1.00 0.00 N ATOM 668 CA LEU A 43 -11.141 6.232 3.259 1.00 0.00 C ATOM 669 C LEU A 43 -10.757 6.348 4.731 1.00 0.00 C ATOM 670 O LEU A 43 -11.618 6.212 5.608 1.00 0.00 O ATOM 671 CB LEU A 43 -12.624 5.949 2.957 1.00 0.00 C ATOM 672 CG LEU A 43 -13.003 6.147 1.478 1.00 0.00 C ATOM 673 CD1 LEU A 43 -14.510 5.989 1.278 1.00 0.00 C ATOM 674 CD2 LEU A 43 -12.553 7.515 0.984 1.00 0.00 C ATOM 0 H LEU A 43 -10.424 4.303 2.840 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.978 7.237 2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.856 4.925 3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.242 6.603 3.572 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.492 5.380 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.754 6.133 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -14.815 4.990 1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -15.036 6.731 1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.831 7.633 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.034 8.292 1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.471 7.600 1.084 1.00 0.00 H new ATOM 686 N ALA A 44 -9.476 6.597 5.010 1.00 0.00 N ATOM 687 CA ALA A 44 -8.946 6.818 6.353 1.00 0.00 C ATOM 688 C ALA A 44 -8.663 8.313 6.558 1.00 0.00 C ATOM 689 O ALA A 44 -7.608 8.806 6.172 1.00 0.00 O ATOM 690 CB ALA A 44 -7.698 5.956 6.570 1.00 0.00 C ATOM 0 H ALA A 44 -8.760 6.652 4.286 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.682 6.517 7.099 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.308 6.126 7.574 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.958 4.904 6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.938 6.224 5.836 1.00 0.00 H new ATOM 696 N LYS A 45 -9.610 9.023 7.183 1.00 0.00 N ATOM 697 CA LYS A 45 -9.600 10.450 7.528 1.00 0.00 C ATOM 698 C LYS A 45 -9.634 11.395 6.335 1.00 0.00 C ATOM 699 O LYS A 45 -10.509 12.259 6.280 1.00 0.00 O ATOM 700 CB LYS A 45 -8.478 10.771 8.533 1.00 0.00 C ATOM 701 CG LYS A 45 -8.784 12.040 9.348 1.00 0.00 C ATOM 702 CD LYS A 45 -8.274 13.302 8.651 1.00 0.00 C ATOM 703 CE LYS A 45 -8.443 14.574 9.488 1.00 0.00 C ATOM 704 NZ LYS A 45 -9.838 15.061 9.532 1.00 0.00 N ATOM 0 H LYS A 45 -10.476 8.577 7.486 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.550 10.644 8.025 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.345 9.928 9.211 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.537 10.901 7.998 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.860 12.121 9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.325 11.958 10.333 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.219 13.173 8.410 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.804 13.425 7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.100 14.381 10.504 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.804 15.357 9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.887 15.923 10.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.162 15.275 8.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.448 14.329 9.947 1.00 0.00 H new ATOM 718 N ASP A 46 -8.676 11.309 5.438 1.00 0.00 N ATOM 719 CA ASP A 46 -8.524 12.185 4.285 1.00 0.00 C ATOM 720 C ASP A 46 -7.913 11.339 3.192 1.00 0.00 C ATOM 721 O ASP A 46 -7.023 10.554 3.496 1.00 0.00 O ATOM 722 CB ASP A 46 -7.573 13.354 4.610 1.00 0.00 C ATOM 723 CG ASP A 46 -8.306 14.684 4.687 1.00 0.00 C ATOM 724 OD1 ASP A 46 -8.961 15.081 3.695 1.00 0.00 O ATOM 725 OD2 ASP A 46 -8.208 15.351 5.745 1.00 0.00 O ATOM 0 H ASP A 46 -7.947 10.597 5.490 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.485 12.608 3.992 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.073 13.161 5.559 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.797 13.412 3.847 1.00 0.00 H new ATOM 730 N THR A 47 -8.294 11.545 1.930 1.00 0.00 N ATOM 731 CA THR A 47 -7.710 10.827 0.797 1.00 0.00 C ATOM 732 C THR A 47 -6.176 11.019 0.733 1.00 0.00 C ATOM 733 O THR A 47 -5.483 10.173 0.173 1.00 0.00 O ATOM 734 CB THR A 47 -8.482 11.231 -0.475 1.00 0.00 C ATOM 735 OG1 THR A 47 -9.794 10.670 -0.426 1.00 0.00 O ATOM 736 CG2 THR A 47 -7.853 10.763 -1.791 1.00 0.00 C ATOM 0 H THR A 47 -9.016 12.215 1.665 1.00 0.00 H new ATOM 0 HA THR A 47 -7.823 9.749 0.910 1.00 0.00 H new ATOM 0 HB THR A 47 -8.473 12.321 -0.475 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.289 10.926 -1.232 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.468 11.096 -2.627 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.853 11.185 -1.886 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.790 9.675 -1.797 1.00 0.00 H new ATOM 744 N THR A 48 -5.639 12.063 1.367 1.00 0.00 N ATOM 745 CA THR A 48 -4.235 12.203 1.712 1.00 0.00 C ATOM 746 C THR A 48 -3.800 11.071 2.657 1.00 0.00 C ATOM 747 O THR A 48 -3.216 10.089 2.204 1.00 0.00 O ATOM 748 CB THR A 48 -4.036 13.610 2.307 1.00 0.00 C ATOM 749 OG1 THR A 48 -4.629 14.566 1.451 1.00 0.00 O ATOM 750 CG2 THR A 48 -2.567 13.966 2.487 1.00 0.00 C ATOM 0 H THR A 48 -6.198 12.863 1.663 1.00 0.00 H new ATOM 0 HA THR A 48 -3.597 12.110 0.833 1.00 0.00 H new ATOM 0 HB THR A 48 -4.505 13.614 3.291 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.506 15.463 1.827 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.484 14.967 2.909 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.099 13.248 3.161 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.065 13.937 1.520 1.00 0.00 H new ATOM 758 N GLU A 49 -4.084 11.199 3.957 1.00 0.00 N ATOM 759 CA GLU A 49 -3.527 10.388 5.044 1.00 0.00 C ATOM 760 C GLU A 49 -3.890 8.901 4.922 1.00 0.00 C ATOM 761 O GLU A 49 -3.207 8.030 5.472 1.00 0.00 O ATOM 762 CB GLU A 49 -4.048 10.955 6.373 1.00 0.00 C ATOM 763 CG GLU A 49 -3.603 12.412 6.590 1.00 0.00 C ATOM 764 CD GLU A 49 -3.899 12.888 8.006 1.00 0.00 C ATOM 765 OE1 GLU A 49 -3.496 12.199 8.974 1.00 0.00 O ATOM 766 OE2 GLU A 49 -4.508 13.965 8.187 1.00 0.00 O ATOM 0 H GLU A 49 -4.739 11.904 4.296 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.439 10.440 4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.137 10.902 6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.687 10.339 7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.534 12.499 6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.113 13.058 5.875 1.00 0.00 H new ATOM 773 N ALA A 50 -4.957 8.645 4.170 1.00 0.00 N ATOM 774 CA ALA A 50 -5.387 7.401 3.587 1.00 0.00 C ATOM 775 C ALA A 50 -4.319 6.836 2.665 1.00 0.00 C ATOM 776 O ALA A 50 -3.585 5.932 3.053 1.00 0.00 O ATOM 777 CB ALA A 50 -6.672 7.679 2.803 1.00 0.00 C ATOM 0 H ALA A 50 -5.606 9.396 3.935 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.564 6.663 4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.027 6.755 2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.434 8.066 3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.471 8.415 2.024 1.00 0.00 H new ATOM 783 N PHE A 51 -4.273 7.307 1.417 1.00 0.00 N ATOM 784 CA PHE A 51 -3.484 6.671 0.373 1.00 0.00 C ATOM 785 C PHE A 51 -2.004 6.623 0.780 1.00 0.00 C ATOM 786 O PHE A 51 -1.287 5.699 0.398 1.00 0.00 O ATOM 787 CB PHE A 51 -3.674 7.331 -1.006 1.00 0.00 C ATOM 788 CG PHE A 51 -2.355 7.735 -1.676 1.00 0.00 C ATOM 789 CD1 PHE A 51 -1.608 8.828 -1.189 1.00 0.00 C ATOM 790 CD2 PHE A 51 -1.746 6.865 -2.604 1.00 0.00 C ATOM 791 CE1 PHE A 51 -0.267 9.007 -1.579 1.00 0.00 C ATOM 792 CE2 PHE A 51 -0.435 7.094 -3.055 1.00 0.00 C ATOM 793 CZ PHE A 51 0.307 8.169 -2.546 1.00 0.00 C ATOM 0 H PHE A 51 -4.781 8.136 1.108 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.849 5.650 0.266 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.209 6.642 -1.660 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.301 8.215 -0.894 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.068 9.533 -0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.295 6.011 -2.973 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.322 9.793 -1.131 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.002 6.440 -3.795 1.00 0.00 H new ATOM 0 HZ PHE A 51 1.313 8.350 -2.896 1.00 0.00 H new ATOM 803 N GLU A 52 -1.563 7.608 1.566 1.00 0.00 N ATOM 804 CA GLU A 52 -0.242 7.684 2.156 1.00 0.00 C ATOM 805 C GLU A 52 0.057 6.323 2.802 1.00 0.00 C ATOM 806 O GLU A 52 0.971 5.614 2.359 1.00 0.00 O ATOM 807 CB GLU A 52 -0.224 8.933 3.075 1.00 0.00 C ATOM 808 CG GLU A 52 -0.058 10.178 2.174 1.00 0.00 C ATOM 809 CD GLU A 52 0.070 11.555 2.846 1.00 0.00 C ATOM 810 OE1 GLU A 52 -0.132 11.712 4.071 1.00 0.00 O ATOM 811 OE2 GLU A 52 0.361 12.508 2.071 1.00 0.00 O ATOM 0 H GLU A 52 -2.149 8.405 1.814 1.00 0.00 H new ATOM 0 HA GLU A 52 0.577 7.838 1.453 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.148 8.998 3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.594 8.868 3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.828 10.026 1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.913 10.216 1.499 1.00 0.00 H new ATOM 818 N LYS A 53 -0.826 5.881 3.702 1.00 0.00 N ATOM 819 CA LYS A 53 -0.711 4.607 4.398 1.00 0.00 C ATOM 820 C LYS A 53 -0.894 3.393 3.485 1.00 0.00 C ATOM 821 O LYS A 53 -0.316 2.351 3.759 1.00 0.00 O ATOM 822 CB LYS A 53 -1.654 4.606 5.612 1.00 0.00 C ATOM 823 CG LYS A 53 -1.073 3.959 6.880 1.00 0.00 C ATOM 824 CD LYS A 53 0.210 4.644 7.380 1.00 0.00 C ATOM 825 CE LYS A 53 0.352 4.567 8.905 1.00 0.00 C ATOM 826 NZ LYS A 53 0.077 5.871 9.545 1.00 0.00 N ATOM 0 H LYS A 53 -1.655 6.413 3.969 1.00 0.00 H new ATOM 0 HA LYS A 53 0.313 4.505 4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.930 5.635 5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.571 4.082 5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.823 3.987 7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.861 2.909 6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.076 4.175 6.912 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.206 5.689 7.070 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.335 3.817 9.297 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.360 4.241 9.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.182 5.781 10.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.748 6.581 9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.894 6.170 9.321 1.00 0.00 H new ATOM 840 N MET A 54 -1.661 3.487 2.394 1.00 0.00 N ATOM 841 CA MET A 54 -1.893 2.462 1.376 1.00 0.00 C ATOM 842 C MET A 54 -0.596 2.063 0.664 1.00 0.00 C ATOM 843 O MET A 54 -0.558 0.983 0.070 1.00 0.00 O ATOM 844 CB MET A 54 -2.960 2.934 0.374 1.00 0.00 C ATOM 845 CG MET A 54 -2.743 2.490 -1.075 1.00 0.00 C ATOM 846 SD MET A 54 -3.792 3.260 -2.325 1.00 0.00 S ATOM 847 CE MET A 54 -2.631 3.383 -3.713 1.00 0.00 C ATOM 0 H MET A 54 -2.172 4.345 2.186 1.00 0.00 H new ATOM 0 HA MET A 54 -2.265 1.569 1.878 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.932 2.570 0.706 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.002 4.023 0.400 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.703 2.683 -1.338 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.889 1.411 -1.126 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.141 3.808 -4.577 1.00 0.00 H new ATOM 0 HE2 MET A 54 -1.796 4.025 -3.433 1.00 0.00 H new ATOM 0 HE3 MET A 54 -2.258 2.390 -3.964 1.00 0.00 H new ATOM 857 N VAL A 55 0.443 2.886 0.686 1.00 0.00 N ATOM 858 CA VAL A 55 1.730 2.546 0.085 1.00 0.00 C ATOM 859 C VAL A 55 2.700 2.089 1.188 1.00 0.00 C ATOM 860 O VAL A 55 3.629 1.332 0.889 1.00 0.00 O ATOM 861 CB VAL A 55 2.186 3.787 -0.698 1.00 0.00 C ATOM 862 CG1 VAL A 55 3.504 3.605 -1.444 1.00 0.00 C ATOM 863 CG2 VAL A 55 1.142 4.182 -1.767 1.00 0.00 C ATOM 0 H VAL A 55 0.420 3.809 1.120 1.00 0.00 H new ATOM 0 HA VAL A 55 1.678 1.709 -0.612 1.00 0.00 H new ATOM 0 HB VAL A 55 2.309 4.553 0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.754 4.526 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.295 3.367 -0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.406 2.792 -2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.489 5.063 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.008 3.357 -2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.191 4.405 -1.282 1.00 0.00 H new ATOM 873 N SER A 56 2.432 2.474 2.444 1.00 0.00 N ATOM 874 CA SER A 56 3.217 2.203 3.640 1.00 0.00 C ATOM 875 C SER A 56 3.504 0.731 3.834 1.00 0.00 C ATOM 876 O SER A 56 4.580 0.237 3.493 1.00 0.00 O ATOM 877 CB SER A 56 2.560 2.875 4.847 1.00 0.00 C ATOM 878 OG SER A 56 3.535 3.307 5.761 1.00 0.00 O ATOM 0 H SER A 56 1.599 3.022 2.658 1.00 0.00 H new ATOM 0 HA SER A 56 4.206 2.645 3.518 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.961 3.724 4.517 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.880 2.176 5.335 1.00 0.00 H new ATOM 0 HG SER A 56 4.104 3.983 5.337 1.00 0.00 H new ATOM 884 N LEU A 57 2.475 0.030 4.287 1.00 0.00 N ATOM 885 CA LEU A 57 2.355 -1.404 4.402 1.00 0.00 C ATOM 886 C LEU A 57 3.096 -2.086 3.279 1.00 0.00 C ATOM 887 O LEU A 57 4.074 -2.760 3.553 1.00 0.00 O ATOM 888 CB LEU A 57 0.883 -1.857 4.465 1.00 0.00 C ATOM 889 CG LEU A 57 -0.161 -0.821 4.015 1.00 0.00 C ATOM 890 CD1 LEU A 57 -0.113 -0.435 2.546 1.00 0.00 C ATOM 891 CD2 LEU A 57 -1.580 -1.400 4.205 1.00 0.00 C ATOM 0 H LEU A 57 1.630 0.500 4.611 1.00 0.00 H new ATOM 0 HA LEU A 57 2.813 -1.702 5.345 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.771 -2.748 3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.657 -2.149 5.490 1.00 0.00 H new ATOM 0 HG LEU A 57 0.069 0.055 4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.891 0.300 2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.862 -0.007 2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.276 -1.320 1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.319 -0.665 3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.687 -2.305 3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.737 -1.639 5.257 1.00 0.00 H new ATOM 903 N LEU A 58 2.686 -1.922 2.018 1.00 0.00 N ATOM 904 CA LEU A 58 3.304 -2.709 0.961 1.00 0.00 C ATOM 905 C LEU A 58 4.791 -2.430 0.777 1.00 0.00 C ATOM 906 O LEU A 58 5.476 -3.339 0.326 1.00 0.00 O ATOM 907 CB LEU A 58 2.548 -2.596 -0.366 1.00 0.00 C ATOM 908 CG LEU A 58 1.726 -3.854 -0.663 1.00 0.00 C ATOM 909 CD1 LEU A 58 0.609 -4.136 0.351 1.00 0.00 C ATOM 910 CD2 LEU A 58 1.163 -3.716 -2.081 1.00 0.00 C ATOM 0 H LEU A 58 1.957 -1.276 1.716 1.00 0.00 H new ATOM 0 HA LEU A 58 3.230 -3.743 1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.887 -1.729 -0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.258 -2.427 -1.175 1.00 0.00 H new ATOM 0 HG LEU A 58 2.388 -4.716 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.078 -5.044 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.042 -4.267 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.088 -3.298 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.571 -4.598 -2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.533 -2.829 -2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.985 -3.623 -2.791 1.00 0.00 H new ATOM 922 N SER A 59 5.308 -1.256 1.135 1.00 0.00 N ATOM 923 CA SER A 59 6.738 -0.997 1.083 1.00 0.00 C ATOM 924 C SER A 59 7.495 -1.909 2.054 1.00 0.00 C ATOM 925 O SER A 59 8.426 -2.605 1.653 1.00 0.00 O ATOM 926 CB SER A 59 7.009 0.497 1.285 1.00 0.00 C ATOM 927 OG SER A 59 6.324 1.232 0.272 1.00 0.00 O ATOM 0 H SER A 59 4.751 -0.468 1.465 1.00 0.00 H new ATOM 0 HA SER A 59 7.123 -1.246 0.094 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.671 0.811 2.272 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.080 0.696 1.236 1.00 0.00 H new ATOM 0 HG SER A 59 5.358 1.188 0.433 1.00 0.00 H new ATOM 933 N VAL A 60 7.047 -1.970 3.301 1.00 0.00 N ATOM 934 CA VAL A 60 7.680 -2.779 4.342 1.00 0.00 C ATOM 935 C VAL A 60 7.341 -4.267 4.153 1.00 0.00 C ATOM 936 O VAL A 60 8.207 -5.135 4.291 1.00 0.00 O ATOM 937 CB VAL A 60 7.360 -2.199 5.743 1.00 0.00 C ATOM 938 CG1 VAL A 60 5.871 -2.163 6.108 1.00 0.00 C ATOM 939 CG2 VAL A 60 8.141 -2.936 6.840 1.00 0.00 C ATOM 0 H VAL A 60 6.227 -1.456 3.624 1.00 0.00 H new ATOM 0 HA VAL A 60 8.765 -2.728 4.254 1.00 0.00 H new ATOM 0 HB VAL A 60 7.680 -1.159 5.682 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.751 -1.741 7.106 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.334 -1.547 5.387 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.468 -3.176 6.091 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.896 -2.507 7.812 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.872 -3.992 6.831 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.211 -2.833 6.657 1.00 0.00 H new ATOM 949 N LEU A 61 6.105 -4.595 3.778 1.00 0.00 N ATOM 950 CA LEU A 61 5.614 -5.944 3.538 1.00 0.00 C ATOM 951 C LEU A 61 6.334 -6.546 2.339 1.00 0.00 C ATOM 952 O LEU A 61 6.587 -7.748 2.349 1.00 0.00 O ATOM 953 CB LEU A 61 4.080 -5.875 3.386 1.00 0.00 C ATOM 954 CG LEU A 61 3.277 -6.970 2.668 1.00 0.00 C ATOM 955 CD1 LEU A 61 3.578 -7.014 1.161 1.00 0.00 C ATOM 956 CD2 LEU A 61 3.370 -8.341 3.329 1.00 0.00 C ATOM 0 H LEU A 61 5.385 -3.888 3.627 1.00 0.00 H new ATOM 0 HA LEU A 61 5.827 -6.611 4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.669 -5.795 4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.858 -4.938 2.875 1.00 0.00 H new ATOM 0 HG LEU A 61 2.231 -6.682 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.988 -7.803 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.322 -6.055 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.638 -7.215 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.776 -9.059 2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.410 -8.666 3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.990 -8.280 4.349 1.00 0.00 H new ATOM 968 N LEU A 62 6.737 -5.768 1.321 1.00 0.00 N ATOM 969 CA LEU A 62 7.438 -6.375 0.198 1.00 0.00 C ATOM 970 C LEU A 62 8.803 -6.892 0.634 1.00 0.00 C ATOM 971 O LEU A 62 9.319 -7.809 0.009 1.00 0.00 O ATOM 972 CB LEU A 62 7.475 -5.493 -1.057 1.00 0.00 C ATOM 973 CG LEU A 62 8.675 -4.525 -1.227 1.00 0.00 C ATOM 974 CD1 LEU A 62 9.600 -5.069 -2.326 1.00 0.00 C ATOM 975 CD2 LEU A 62 8.269 -3.088 -1.619 1.00 0.00 C ATOM 0 H LEU A 62 6.594 -4.760 1.258 1.00 0.00 H new ATOM 0 HA LEU A 62 6.856 -7.240 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.448 -6.148 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.561 -4.900 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 62 9.166 -4.471 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.448 -4.396 -2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.961 -6.057 -2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.048 -5.140 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.163 -2.472 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.734 -3.107 -2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.624 -2.669 -0.847 1.00 0.00 H new ATOM 987 N SER A 63 9.345 -6.391 1.748 1.00 0.00 N ATOM 988 CA SER A 63 10.564 -6.903 2.350 1.00 0.00 C ATOM 989 C SER A 63 10.359 -8.377 2.692 1.00 0.00 C ATOM 990 O SER A 63 11.097 -9.222 2.184 1.00 0.00 O ATOM 991 CB SER A 63 10.993 -6.006 3.521 1.00 0.00 C ATOM 992 OG SER A 63 12.400 -5.910 3.596 1.00 0.00 O ATOM 0 H SER A 63 8.938 -5.607 2.259 1.00 0.00 H new ATOM 0 HA SER A 63 11.405 -6.868 1.657 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.563 -5.012 3.399 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.602 -6.410 4.455 1.00 0.00 H new ATOM 0 HG SER A 63 12.654 -5.469 4.434 1.00 0.00 H new ATOM 998 N MET A 64 9.287 -8.698 3.423 1.00 0.00 N ATOM 999 CA MET A 64 8.961 -10.081 3.750 1.00 0.00 C ATOM 1000 C MET A 64 8.461 -10.882 2.555 1.00 0.00 C ATOM 1001 O MET A 64 8.518 -12.113 2.587 1.00 0.00 O ATOM 1002 CB MET A 64 7.961 -10.206 4.895 1.00 0.00 C ATOM 1003 CG MET A 64 6.517 -9.873 4.529 1.00 0.00 C ATOM 1004 SD MET A 64 5.318 -10.494 5.734 1.00 0.00 S ATOM 1005 CE MET A 64 5.597 -9.396 7.134 1.00 0.00 C ATOM 0 H MET A 64 8.631 -8.013 3.798 1.00 0.00 H new ATOM 0 HA MET A 64 9.911 -10.507 4.073 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.997 -11.225 5.279 1.00 0.00 H new ATOM 0 HB3 MET A 64 8.275 -9.549 5.706 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.410 -8.792 4.443 1.00 0.00 H new ATOM 0 HG3 MET A 64 6.290 -10.294 3.550 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.924 -9.666 7.948 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.630 -9.490 7.470 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.406 -8.366 6.832 1.00 0.00 H new ATOM 1015 N GLN A 65 7.918 -10.196 1.544 1.00 0.00 N ATOM 1016 CA GLN A 65 7.498 -10.817 0.303 1.00 0.00 C ATOM 1017 C GLN A 65 8.747 -11.288 -0.457 1.00 0.00 C ATOM 1018 O GLN A 65 8.652 -12.219 -1.251 1.00 0.00 O ATOM 1019 CB GLN A 65 6.666 -9.815 -0.523 1.00 0.00 C ATOM 1020 CG GLN A 65 5.699 -10.391 -1.569 1.00 0.00 C ATOM 1021 CD GLN A 65 6.331 -10.821 -2.897 1.00 0.00 C ATOM 1022 OE1 GLN A 65 6.907 -9.911 -3.664 1.00 0.00 O flip ATOM 1023 NE2 GLN A 65 6.286 -11.990 -3.271 1.00 0.00 N flip ATOM 0 H GLN A 65 7.761 -9.189 1.573 1.00 0.00 H new ATOM 0 HA GLN A 65 6.866 -11.683 0.499 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.087 -9.205 0.171 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.357 -9.146 -1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.194 -11.253 -1.133 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.933 -9.644 -1.778 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.843 -12.697 -2.684 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.692 -12.254 -4.169 1.00 0.00 H new ATOM 1032 N GLY A 66 9.908 -10.675 -0.206 1.00 0.00 N ATOM 1033 CA GLY A 66 11.202 -11.021 -0.763 1.00 0.00 C ATOM 1034 C GLY A 66 11.834 -9.820 -1.458 1.00 0.00 C ATOM 1035 O GLY A 66 12.213 -9.945 -2.625 1.00 0.00 O ATOM 0 H GLY A 66 9.964 -9.879 0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.861 -11.375 0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.089 -11.840 -1.474 1.00 0.00 H new ATOM 1039 N ALA A 67 11.963 -8.672 -0.776 1.00 0.00 N ATOM 1040 CA ALA A 67 12.545 -7.485 -1.420 1.00 0.00 C ATOM 1041 C ALA A 67 14.067 -7.608 -1.459 1.00 0.00 C ATOM 1042 O ALA A 67 14.638 -8.502 -0.823 1.00 0.00 O ATOM 1043 CB ALA A 67 12.227 -6.192 -0.656 1.00 0.00 C ATOM 0 H ALA A 67 11.681 -8.541 0.195 1.00 0.00 H new ATOM 0 HA ALA A 67 12.113 -7.435 -2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.679 -5.344 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.147 -6.054 -0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 67 12.629 -6.258 0.355 1.00 0.00 H new ATOM 1049 N VAL A 68 14.746 -6.689 -2.148 1.00 0.00 N ATOM 1050 CA VAL A 68 16.153 -6.430 -1.859 1.00 0.00 C ATOM 1051 C VAL A 68 16.216 -5.506 -0.630 1.00 0.00 C ATOM 1052 O VAL A 68 15.942 -5.939 0.492 1.00 0.00 O ATOM 1053 CB VAL A 68 16.901 -5.933 -3.124 1.00 0.00 C ATOM 1054 CG1 VAL A 68 17.130 -7.109 -4.083 1.00 0.00 C ATOM 1055 CG2 VAL A 68 16.195 -4.831 -3.943 1.00 0.00 C ATOM 0 H VAL A 68 14.351 -6.121 -2.898 1.00 0.00 H new ATOM 0 HA VAL A 68 16.693 -7.340 -1.596 1.00 0.00 H new ATOM 0 HB VAL A 68 17.820 -5.499 -2.729 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.656 -6.757 -4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.728 -7.873 -3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.169 -7.533 -4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.811 -4.565 -4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 68 15.229 -5.198 -4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.046 -3.951 -3.317 1.00 0.00 H new ATOM 1065 N ASP A 69 16.438 -4.212 -0.822 1.00 0.00 N ATOM 1066 CA ASP A 69 16.601 -3.216 0.225 1.00 0.00 C ATOM 1067 C ASP A 69 15.702 -2.067 -0.175 1.00 0.00 C ATOM 1068 O ASP A 69 16.035 -1.285 -1.068 1.00 0.00 O ATOM 1069 CB ASP A 69 18.071 -2.807 0.370 1.00 0.00 C ATOM 1070 CG ASP A 69 18.721 -3.538 1.547 1.00 0.00 C ATOM 1071 OD1 ASP A 69 18.900 -4.774 1.463 1.00 0.00 O ATOM 1072 OD2 ASP A 69 18.958 -2.895 2.599 1.00 0.00 O ATOM 0 H ASP A 69 16.513 -3.811 -1.757 1.00 0.00 H new ATOM 0 HA ASP A 69 16.322 -3.594 1.209 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.610 -3.036 -0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 69 18.141 -1.730 0.521 1.00 0.00 H new ATOM 1077 N ILE A 70 14.515 -2.048 0.423 1.00 0.00 N ATOM 1078 CA ILE A 70 13.518 -0.997 0.334 1.00 0.00 C ATOM 1079 C ILE A 70 12.692 -0.908 1.623 1.00 0.00 C ATOM 1080 O ILE A 70 11.800 -0.078 1.709 1.00 0.00 O ATOM 1081 CB ILE A 70 12.655 -1.221 -0.925 1.00 0.00 C ATOM 1082 CG1 ILE A 70 11.965 0.045 -1.468 1.00 0.00 C ATOM 1083 CG2 ILE A 70 11.622 -2.336 -0.712 1.00 0.00 C ATOM 1084 CD1 ILE A 70 12.980 1.123 -1.857 1.00 0.00 C ATOM 0 H ILE A 70 14.208 -2.817 1.019 1.00 0.00 H new ATOM 0 HA ILE A 70 14.009 -0.029 0.232 1.00 0.00 H new ATOM 0 HB ILE A 70 13.368 -1.526 -1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.360 -0.215 -2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.286 0.441 -0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 70 11.033 -2.465 -1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 70 12.136 -3.268 -0.478 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.962 -2.068 0.113 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.453 1.999 -2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 70 13.567 1.402 -0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.643 0.736 -2.631 1.00 0.00 H new ATOM 1096 N ASN A 71 12.974 -1.724 2.645 1.00 0.00 N ATOM 1097 CA ASN A 71 12.539 -1.396 3.995 1.00 0.00 C ATOM 1098 C ASN A 71 13.301 -0.137 4.433 1.00 0.00 C ATOM 1099 O ASN A 71 12.793 0.972 4.311 1.00 0.00 O ATOM 1100 CB ASN A 71 12.710 -2.602 4.943 1.00 0.00 C ATOM 1101 CG ASN A 71 12.551 -2.208 6.411 1.00 0.00 C ATOM 1102 OD1 ASN A 71 11.911 -1.213 6.714 1.00 0.00 O ATOM 1103 ND2 ASN A 71 13.158 -2.937 7.329 1.00 0.00 N ATOM 0 H ASN A 71 13.492 -2.599 2.561 1.00 0.00 H new ATOM 0 HA ASN A 71 11.472 -1.176 4.028 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.975 -3.367 4.692 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.695 -3.044 4.792 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.097 -2.673 8.312 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.688 -3.765 7.055 1.00 0.00 H new ATOM 1110 N ARG A 72 14.554 -0.291 4.865 1.00 0.00 N ATOM 1111 CA ARG A 72 15.302 0.700 5.656 1.00 0.00 C ATOM 1112 C ARG A 72 15.436 2.052 4.966 1.00 0.00 C ATOM 1113 O ARG A 72 15.120 3.095 5.527 1.00 0.00 O ATOM 1114 CB ARG A 72 16.693 0.145 5.951 1.00 0.00 C ATOM 1115 CG ARG A 72 16.650 -1.132 6.804 1.00 0.00 C ATOM 1116 CD ARG A 72 16.775 -2.448 6.020 1.00 0.00 C ATOM 1117 NE ARG A 72 18.079 -2.650 5.353 1.00 0.00 N ATOM 1118 CZ ARG A 72 19.142 -3.291 5.857 1.00 0.00 C ATOM 1119 NH1 ARG A 72 19.182 -3.653 7.137 1.00 0.00 N ATOM 1120 NH2 ARG A 72 20.127 -3.631 5.039 1.00 0.00 N ATOM 0 H ARG A 72 15.097 -1.133 4.671 1.00 0.00 H new ATOM 0 HA ARG A 72 14.737 0.872 6.572 1.00 0.00 H new ATOM 0 HB2 ARG A 72 17.202 -0.067 5.011 1.00 0.00 H new ATOM 0 HB3 ARG A 72 17.281 0.903 6.468 1.00 0.00 H new ATOM 0 HG2 ARG A 72 17.455 -1.087 7.537 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.713 -1.147 7.360 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.599 -3.279 6.703 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.988 -2.482 5.267 1.00 0.00 H new ATOM 0 HE ARG A 72 18.179 -2.262 4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.395 -3.443 7.751 1.00 0.00 H new ATOM 0 HH12 ARG A 72 19.999 -4.140 7.504 1.00 0.00 H new ATOM 0 HH21 ARG A 72 20.067 -3.404 4.046 1.00 0.00 H new ATOM 0 HH22 ARG A 72 20.946 -4.120 5.402 1.00 0.00 H new ATOM 1134 N LEU A 73 15.919 2.036 3.730 1.00 0.00 N ATOM 1135 CA LEU A 73 16.134 3.237 2.933 1.00 0.00 C ATOM 1136 C LEU A 73 14.803 3.865 2.514 1.00 0.00 C ATOM 1137 O LEU A 73 14.799 5.018 2.081 1.00 0.00 O ATOM 1138 CB LEU A 73 17.058 2.973 1.719 1.00 0.00 C ATOM 1139 CG LEU A 73 16.972 1.583 1.060 1.00 0.00 C ATOM 1140 CD1 LEU A 73 17.613 1.598 -0.332 1.00 0.00 C ATOM 1141 CD2 LEU A 73 17.689 0.512 1.903 1.00 0.00 C ATOM 0 H LEU A 73 16.176 1.176 3.246 1.00 0.00 H new ATOM 0 HA LEU A 73 16.653 3.958 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.839 3.722 0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.088 3.133 2.037 1.00 0.00 H new ATOM 0 HG LEU A 73 15.912 1.339 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 73 17.540 0.606 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.093 2.318 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.662 1.881 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 73 17.608 -0.456 1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.741 0.778 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 73 17.227 0.455 2.888 1.00 0.00 H new ATOM 1153 N CYS A 74 13.674 3.162 2.653 1.00 0.00 N ATOM 1154 CA CYS A 74 12.373 3.770 2.464 1.00 0.00 C ATOM 1155 C CYS A 74 11.881 4.333 3.798 1.00 0.00 C ATOM 1156 O CYS A 74 11.199 5.342 3.755 1.00 0.00 O ATOM 1157 CB CYS A 74 11.418 2.790 1.776 1.00 0.00 C ATOM 1158 SG CYS A 74 10.166 3.669 0.797 1.00 0.00 S ATOM 0 H CYS A 74 13.646 2.172 2.896 1.00 0.00 H new ATOM 0 HA CYS A 74 12.431 4.620 1.784 1.00 0.00 H new ATOM 0 HB2 CYS A 74 11.984 2.120 1.129 1.00 0.00 H new ATOM 0 HB3 CYS A 74 10.927 2.170 2.526 1.00 0.00 H new ATOM 0 HG CYS A 74 9.377 2.807 0.228 1.00 0.00 H new ATOM 1164 N GLU A 75 12.278 3.807 4.967 1.00 0.00 N ATOM 1165 CA GLU A 75 11.960 4.381 6.282 1.00 0.00 C ATOM 1166 C GLU A 75 12.412 5.836 6.422 1.00 0.00 C ATOM 1167 O GLU A 75 11.885 6.552 7.268 1.00 0.00 O ATOM 1168 CB GLU A 75 12.561 3.541 7.428 1.00 0.00 C ATOM 1169 CG GLU A 75 12.042 2.109 7.395 1.00 0.00 C ATOM 1170 CD GLU A 75 12.311 1.364 8.697 1.00 0.00 C ATOM 1171 OE1 GLU A 75 13.483 1.002 8.957 1.00 0.00 O ATOM 1172 OE2 GLU A 75 11.331 1.110 9.437 1.00 0.00 O ATOM 0 H GLU A 75 12.838 2.957 5.025 1.00 0.00 H new ATOM 0 HA GLU A 75 10.873 4.362 6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 75 13.648 3.538 7.348 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.313 3.998 8.386 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.970 2.118 7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.512 1.574 6.570 1.00 0.00 H new ATOM 1179 N GLU A 76 13.371 6.298 5.617 1.00 0.00 N ATOM 1180 CA GLU A 76 13.628 7.726 5.465 1.00 0.00 C ATOM 1181 C GLU A 76 12.570 8.300 4.543 1.00 0.00 C ATOM 1182 O GLU A 76 11.805 9.145 4.980 1.00 0.00 O ATOM 1183 CB GLU A 76 15.051 7.988 4.961 1.00 0.00 C ATOM 1184 CG GLU A 76 15.339 9.496 4.932 1.00 0.00 C ATOM 1185 CD GLU A 76 16.759 9.760 4.445 1.00 0.00 C ATOM 1186 OE1 GLU A 76 16.974 9.744 3.213 1.00 0.00 O ATOM 1187 OE2 GLU A 76 17.690 9.900 5.275 1.00 0.00 O ATOM 0 H GLU A 76 13.982 5.700 5.061 1.00 0.00 H new ATOM 0 HA GLU A 76 13.564 8.225 6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.771 7.486 5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.173 7.569 3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.625 9.996 4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.206 9.917 5.929 1.00 0.00 H new ATOM 1194 N MET A 77 12.502 7.841 3.293 1.00 0.00 N ATOM 1195 CA MET A 77 11.624 8.401 2.277 1.00 0.00 C ATOM 1196 C MET A 77 10.183 8.570 2.771 1.00 0.00 C ATOM 1197 O MET A 77 9.628 9.641 2.551 1.00 0.00 O ATOM 1198 CB MET A 77 11.744 7.573 0.990 1.00 0.00 C ATOM 1199 CG MET A 77 11.146 8.317 -0.211 1.00 0.00 C ATOM 1200 SD MET A 77 11.539 7.617 -1.836 1.00 0.00 S ATOM 1201 CE MET A 77 13.283 8.099 -1.981 1.00 0.00 C ATOM 0 H MET A 77 13.065 7.059 2.958 1.00 0.00 H new ATOM 0 HA MET A 77 11.947 9.417 2.050 1.00 0.00 H new ATOM 0 HB2 MET A 77 12.793 7.349 0.796 1.00 0.00 H new ATOM 0 HB3 MET A 77 11.233 6.619 1.120 1.00 0.00 H new ATOM 0 HG2 MET A 77 10.062 8.342 -0.098 1.00 0.00 H new ATOM 0 HG3 MET A 77 11.493 9.350 -0.186 1.00 0.00 H new ATOM 0 HE1 MET A 77 13.631 7.903 -2.995 1.00 0.00 H new ATOM 0 HE2 MET A 77 13.386 9.161 -1.761 1.00 0.00 H new ATOM 0 HE3 MET A 77 13.880 7.522 -1.275 1.00 0.00 H new ATOM 1211 N LEU A 78 9.607 7.564 3.437 1.00 0.00 N ATOM 1212 CA LEU A 78 8.237 7.501 3.948 1.00 0.00 C ATOM 1213 C LEU A 78 8.040 8.572 5.020 1.00 0.00 C ATOM 1214 O LEU A 78 7.230 9.484 4.860 1.00 0.00 O ATOM 1215 CB LEU A 78 7.924 6.101 4.527 1.00 0.00 C ATOM 1216 CG LEU A 78 8.059 4.941 3.513 1.00 0.00 C ATOM 1217 CD1 LEU A 78 8.612 3.660 4.149 1.00 0.00 C ATOM 1218 CD2 LEU A 78 6.746 4.629 2.791 1.00 0.00 C ATOM 0 H LEU A 78 10.125 6.711 3.647 1.00 0.00 H new ATOM 0 HA LEU A 78 7.550 7.684 3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.592 5.912 5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.908 6.104 4.922 1.00 0.00 H new ATOM 0 HG LEU A 78 8.779 5.297 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.685 2.880 3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.601 3.857 4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.944 3.331 4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.901 3.807 2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.988 4.346 3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.413 5.511 2.245 1.00 0.00 H new ATOM 1230 N ASP A 79 8.817 8.491 6.099 1.00 0.00 N ATOM 1231 CA ASP A 79 8.764 9.426 7.219 1.00 0.00 C ATOM 1232 C ASP A 79 9.032 10.855 6.732 1.00 0.00 C ATOM 1233 O ASP A 79 8.421 11.825 7.157 1.00 0.00 O ATOM 1234 CB ASP A 79 9.805 8.991 8.250 1.00 0.00 C ATOM 1235 CG ASP A 79 9.674 9.774 9.553 1.00 0.00 C ATOM 1236 OD1 ASP A 79 10.180 10.911 9.633 1.00 0.00 O ATOM 1237 OD2 ASP A 79 9.133 9.208 10.533 1.00 0.00 O ATOM 0 H ASP A 79 9.515 7.758 6.220 1.00 0.00 H new ATOM 0 HA ASP A 79 7.774 9.418 7.674 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.692 7.926 8.453 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.805 9.133 7.839 1.00 0.00 H new ATOM 1242 N ASN A 80 9.883 11.009 5.735 1.00 0.00 N ATOM 1243 CA ASN A 80 10.209 12.297 5.160 1.00 0.00 C ATOM 1244 C ASN A 80 9.143 12.777 4.167 1.00 0.00 C ATOM 1245 O ASN A 80 9.093 13.965 3.856 1.00 0.00 O ATOM 1246 CB ASN A 80 11.568 12.095 4.496 1.00 0.00 C ATOM 1247 CG ASN A 80 12.246 13.302 3.857 1.00 0.00 C ATOM 1248 OD1 ASN A 80 13.391 13.609 4.166 1.00 0.00 O ATOM 1249 ND2 ASN A 80 11.642 13.987 2.898 1.00 0.00 N ATOM 0 H ASN A 80 10.374 10.230 5.296 1.00 0.00 H new ATOM 0 HA ASN A 80 10.242 13.080 5.917 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.248 11.690 5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.452 11.332 3.726 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.130 14.753 2.433 1.00 0.00 H new ATOM 0 HD22 ASN A 80 10.689 13.749 2.624 1.00 0.00 H new ATOM 1256 N ARG A 81 8.303 11.898 3.612 1.00 0.00 N ATOM 1257 CA ARG A 81 7.251 12.295 2.683 1.00 0.00 C ATOM 1258 C ARG A 81 6.211 13.079 3.463 1.00 0.00 C ATOM 1259 O ARG A 81 5.780 14.138 3.008 1.00 0.00 O ATOM 1260 CB ARG A 81 6.599 11.063 2.022 1.00 0.00 C ATOM 1261 CG ARG A 81 6.750 10.978 0.498 1.00 0.00 C ATOM 1262 CD ARG A 81 8.186 10.596 0.153 1.00 0.00 C ATOM 1263 NE ARG A 81 8.425 10.453 -1.285 1.00 0.00 N ATOM 1264 CZ ARG A 81 8.683 11.432 -2.154 1.00 0.00 C ATOM 1265 NH1 ARG A 81 8.580 12.703 -1.793 1.00 0.00 N ATOM 1266 NH2 ARG A 81 9.053 11.123 -3.390 1.00 0.00 N ATOM 0 H ARG A 81 8.336 10.895 3.796 1.00 0.00 H new ATOM 0 HA ARG A 81 7.677 12.906 1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.030 10.164 2.464 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.537 11.060 2.266 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.058 10.239 0.093 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.497 11.935 0.042 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.861 11.354 0.551 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.433 9.657 0.649 1.00 0.00 H new ATOM 0 HE ARG A 81 8.391 9.506 -1.662 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.301 12.942 -0.841 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.780 13.442 -2.467 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.138 10.145 -3.668 1.00 0.00 H new ATOM 0 HH22 ARG A 81 9.253 11.863 -4.063 1.00 0.00 H new ATOM 1280 N ALA A 82 5.783 12.546 4.606 1.00 0.00 N ATOM 1281 CA ALA A 82 4.583 13.007 5.293 1.00 0.00 C ATOM 1282 C ALA A 82 4.641 12.832 6.808 1.00 0.00 C ATOM 1283 O ALA A 82 3.623 13.060 7.462 1.00 0.00 O ATOM 1284 CB ALA A 82 3.388 12.232 4.728 1.00 0.00 C ATOM 0 H ALA A 82 6.261 11.781 5.081 1.00 0.00 H new ATOM 0 HA ALA A 82 4.490 14.079 5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.475 12.558 5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.305 12.421 3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.533 11.165 4.898 1.00 0.00 H new ATOM 1290 N THR A 83 5.771 12.347 7.343 1.00 0.00 N ATOM 1291 CA THR A 83 5.860 11.802 8.705 1.00 0.00 C ATOM 1292 C THR A 83 4.747 10.783 8.977 1.00 0.00 C ATOM 1293 O THR A 83 4.344 10.540 10.118 1.00 0.00 O ATOM 1294 CB THR A 83 6.078 12.926 9.741 1.00 0.00 C ATOM 1295 OG1 THR A 83 5.159 13.987 9.611 1.00 0.00 O ATOM 1296 CG2 THR A 83 7.453 13.556 9.498 1.00 0.00 C ATOM 0 H THR A 83 6.657 12.322 6.838 1.00 0.00 H new ATOM 0 HA THR A 83 6.760 11.197 8.814 1.00 0.00 H new ATOM 0 HB THR A 83 5.967 12.462 10.721 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.345 14.666 10.293 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.622 14.352 10.223 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.226 12.796 9.608 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.491 13.969 8.490 1.00 0.00 H new ATOM 1304 N LEU A 84 4.258 10.159 7.898 1.00 0.00 N ATOM 1305 CA LEU A 84 3.117 9.289 7.900 1.00 0.00 C ATOM 1306 C LEU A 84 3.438 8.239 6.856 1.00 0.00 C ATOM 1307 O LEU A 84 4.009 7.219 7.226 1.00 0.00 O ATOM 1308 CB LEU A 84 1.859 10.130 7.616 1.00 0.00 C ATOM 1309 CG LEU A 84 0.566 9.396 7.957 1.00 0.00 C ATOM 1310 CD1 LEU A 84 0.368 9.284 9.474 1.00 0.00 C ATOM 1311 CD2 LEU A 84 -0.636 10.114 7.345 1.00 0.00 C ATOM 0 H LEU A 84 4.676 10.263 6.973 1.00 0.00 H new ATOM 0 HA LEU A 84 2.911 8.791 8.848 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.909 11.055 8.191 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.845 10.410 6.563 1.00 0.00 H new ATOM 0 HG LEU A 84 0.644 8.392 7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.563 8.756 9.681 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.202 8.735 9.910 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.324 10.282 9.910 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.549 9.576 7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.692 11.129 7.738 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.525 10.150 6.261 1.00 0.00 H new ATOM 1323 N GLN A 85 3.195 8.574 5.584 1.00 0.00 N ATOM 1324 CA GLN A 85 3.300 7.771 4.389 1.00 0.00 C ATOM 1325 C GLN A 85 3.117 6.299 4.725 1.00 0.00 C ATOM 1326 O GLN A 85 4.004 5.469 4.438 1.00 0.00 O ATOM 1327 CB GLN A 85 4.571 8.163 3.629 1.00 0.00 C ATOM 1328 CG GLN A 85 4.359 8.149 2.111 1.00 0.00 C ATOM 1329 CD GLN A 85 3.635 9.381 1.550 1.00 0.00 C ATOM 1330 OE1 GLN A 85 3.182 10.258 2.272 1.00 0.00 O ATOM 1331 NE2 GLN A 85 3.542 9.513 0.238 1.00 0.00 N ATOM 0 H GLN A 85 2.887 9.520 5.357 1.00 0.00 H new ATOM 0 HA GLN A 85 2.491 7.969 3.686 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.888 9.158 3.942 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.376 7.475 3.889 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.330 8.063 1.624 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.789 7.258 1.846 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.916 8.789 -0.375 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.096 10.339 -0.161 1.00 0.00 H new TER 1340 GLN A 85