USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 752 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 16 ASN : amide:sc= 0.0633 K(o=-4.2,f=-12!) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 157:sc= -4.3! (180deg=-4.89!) USER MOD Set 2.1: A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Set 2.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 40 ASN : amide:sc= -1.04! C(o=-0.23!,f=-7.3!) USER MOD Set 3.2: A 59 GLN : amide:sc= 0.816 K(o=-0.23,f=-2.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.889 X(o=-0.89,f=-1.4) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS :FLIP no HD1:sc= 0.00171 F(o=-1.4!,f=0.0017) USER MOD Single : A 7 HIS : no HD1:sc= -0.467 X(o=-0.47,f=-0.53) USER MOD Single : A 8 HIS : no HD1:sc= -1.22! C(o=-1.2!,f=-3.8!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 28:sc= 0.459 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.824 F(o=-1.6,f=-0.82) USER MOD Single : A 21 THR OG1 : rot -100:sc= -1.75 USER MOD Single : A 25 SER OG : rot 180:sc= -0.327 USER MOD Single : A 27 MET CE :methyl 151:sc= -3.57! (180deg=-3.63!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 31 SER OG : rot 180:sc= -0.497 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0773 USER MOD Single : A 39 ASN : amide:sc= -0.0858 X(o=-0.086,f=-0.46) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 71:sc= 0.937 USER MOD Single : A 50 GLN : amide:sc= -2.6! C(o=-2.6!,f=-3.7!) USER MOD Single : A 51 GLN : amide:sc= -4.38! C(o=-4.4!,f=-6.1!) USER MOD Single : A 52 ASN : amide:sc= -6.03! C(o=-6!,f=-13!) USER MOD Single : A 61 SER OG : rot 180:sc= 0.00115 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.121 USER MOD Single : A 68 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.245 X(o=-0.25,f=-0.0044) USER MOD Single : A 74 GLN : amide:sc= -4.31 X(o=-4.3,f=-4!) USER MOD Single : A 75 SER OG : rot 87:sc= 0.572 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -124:sc= -0.281 (180deg=-0.871) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -39:sc= 0.581 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.512 27.847 -3.990 1.00 1.00 N ATOM 2 CA MET A 1 10.153 26.504 -3.457 1.00 1.00 C ATOM 3 C MET A 1 10.561 26.414 -1.991 1.00 1.00 C ATOM 4 O MET A 1 11.748 26.461 -1.664 1.00 1.00 O ATOM 5 CB MET A 1 10.875 25.426 -4.268 1.00 1.00 C ATOM 6 CG MET A 1 9.947 24.226 -4.466 1.00 1.00 C ATOM 7 SD MET A 1 8.756 24.593 -5.777 1.00 1.00 S ATOM 8 CE MET A 1 7.259 24.190 -4.843 1.00 1.00 C ATOM 0 H1 MET A 1 10.234 27.909 -4.990 1.00 1.00 H new ATOM 0 H2 MET A 1 10.015 28.581 -3.446 1.00 1.00 H new ATOM 0 H3 MET A 1 11.539 27.991 -3.907 1.00 1.00 H new ATOM 0 HA MET A 1 9.077 26.352 -3.538 1.00 1.00 H new ATOM 0 HB2 MET A 1 11.179 25.827 -5.235 1.00 1.00 H new ATOM 0 HB3 MET A 1 11.783 25.115 -3.752 1.00 1.00 H new ATOM 0 HG2 MET A 1 10.529 23.342 -4.726 1.00 1.00 H new ATOM 0 HG3 MET A 1 9.423 24.001 -3.537 1.00 1.00 H new ATOM 0 HE1 MET A 1 6.384 24.348 -5.473 1.00 1.00 H new ATOM 0 HE2 MET A 1 7.296 23.147 -4.528 1.00 1.00 H new ATOM 0 HE3 MET A 1 7.194 24.832 -3.964 1.00 1.00 H new ATOM 20 N GLY A 2 9.573 26.284 -1.112 1.00 1.00 N ATOM 21 CA GLY A 2 9.843 26.188 0.317 1.00 1.00 C ATOM 22 C GLY A 2 9.828 24.735 0.779 1.00 1.00 C ATOM 23 O GLY A 2 9.620 24.451 1.959 1.00 1.00 O ATOM 0 H GLY A 2 8.585 26.243 -1.362 1.00 1.00 H new ATOM 0 HA2 GLY A 2 10.813 26.634 0.538 1.00 1.00 H new ATOM 0 HA3 GLY A 2 9.097 26.757 0.871 1.00 1.00 H new ATOM 27 N HIS A 3 10.050 23.819 -0.158 1.00 1.00 N ATOM 28 CA HIS A 3 10.060 22.397 0.164 1.00 1.00 C ATOM 29 C HIS A 3 10.349 21.567 -1.083 1.00 1.00 C ATOM 30 O HIS A 3 9.956 21.934 -2.190 1.00 1.00 O ATOM 31 CB HIS A 3 8.708 21.985 0.749 1.00 1.00 C ATOM 32 CG HIS A 3 7.629 22.878 0.201 1.00 1.00 C ATOM 33 ND1 HIS A 3 6.905 23.742 1.007 1.00 1.00 N ATOM 34 CD2 HIS A 3 7.142 23.054 -1.069 1.00 1.00 C ATOM 35 CE1 HIS A 3 6.028 24.392 0.220 1.00 1.00 C ATOM 36 NE2 HIS A 3 6.130 24.010 -1.056 1.00 1.00 N ATOM 0 H HIS A 3 10.224 24.034 -1.140 1.00 1.00 H new ATOM 0 HA HIS A 3 10.845 22.216 0.898 1.00 1.00 H new ATOM 0 HB2 HIS A 3 8.495 20.945 0.501 1.00 1.00 H new ATOM 0 HB3 HIS A 3 8.734 22.054 1.836 1.00 1.00 H new ATOM 0 HD2 HIS A 3 7.491 22.530 -1.947 1.00 1.00 H new ATOM 0 HE1 HIS A 3 5.327 25.132 0.577 1.00 1.00 H new ATOM 0 HE2 HIS A 3 5.584 24.346 -1.849 1.00 1.00 H new ATOM 44 N HIS A 4 11.041 20.448 -0.895 1.00 1.00 N ATOM 45 CA HIS A 4 11.378 19.574 -2.013 1.00 1.00 C ATOM 46 C HIS A 4 10.339 18.467 -2.160 1.00 1.00 C ATOM 47 O HIS A 4 9.984 18.080 -3.274 1.00 1.00 O ATOM 48 CB HIS A 4 12.760 18.954 -1.793 1.00 1.00 C ATOM 49 CG HIS A 4 13.660 19.315 -2.941 1.00 1.00 C ATOM 50 ND1 HIS A 4 14.049 18.388 -3.896 1.00 1.00 N ATOM 51 CD2 HIS A 4 14.256 20.498 -3.304 1.00 1.00 C ATOM 52 CE1 HIS A 4 14.844 19.022 -4.777 1.00 1.00 C ATOM 53 NE2 HIS A 4 15.003 20.310 -4.463 1.00 1.00 N ATOM 0 H HIS A 4 11.377 20.127 0.013 1.00 1.00 H new ATOM 0 HA HIS A 4 11.388 20.170 -2.926 1.00 1.00 H new ATOM 0 HB2 HIS A 4 13.186 19.313 -0.856 1.00 1.00 H new ATOM 0 HB3 HIS A 4 12.675 17.870 -1.710 1.00 1.00 H new ATOM 0 HD2 HIS A 4 14.160 21.432 -2.771 1.00 1.00 H new ATOM 0 HE1 HIS A 4 15.298 18.547 -5.634 1.00 1.00 H new ATOM 0 HE2 HIS A 4 15.554 21.007 -4.965 1.00 1.00 H new ATOM 61 N HIS A 5 9.856 17.961 -1.030 1.00 1.00 N ATOM 62 CA HIS A 5 8.859 16.899 -1.045 1.00 1.00 C ATOM 63 C HIS A 5 8.049 16.903 0.248 1.00 1.00 C ATOM 64 O HIS A 5 8.609 16.832 1.341 1.00 1.00 O ATOM 65 CB HIS A 5 9.543 15.541 -1.217 1.00 1.00 C ATOM 66 CG HIS A 5 9.123 14.928 -2.524 1.00 1.00 C ATOM 67 ND1 HIS A 5 9.843 15.116 -3.693 1.00 1.00 N ATOM 68 CD2 HIS A 5 8.060 14.128 -2.862 1.00 1.00 C ATOM 69 CE1 HIS A 5 9.209 14.443 -4.673 1.00 1.00 C ATOM 70 NE2 HIS A 5 8.116 13.823 -4.219 1.00 1.00 N ATOM 0 H HIS A 5 10.137 18.267 -0.099 1.00 1.00 H new ATOM 0 HA HIS A 5 8.184 17.074 -1.883 1.00 1.00 H new ATOM 0 HB2 HIS A 5 10.626 15.662 -1.192 1.00 1.00 H new ATOM 0 HB3 HIS A 5 9.277 14.881 -0.392 1.00 1.00 H new ATOM 0 HD2 HIS A 5 7.296 13.787 -2.179 1.00 1.00 H new ATOM 0 HE1 HIS A 5 9.543 14.409 -5.699 1.00 1.00 H new ATOM 0 HE2 HIS A 5 7.463 13.249 -4.752 1.00 1.00 H new ATOM 78 N HIS A 6 6.730 16.988 0.114 1.00 1.00 N ATOM 79 CA HIS A 6 5.853 17.001 1.279 1.00 1.00 C ATOM 80 C HIS A 6 6.130 15.795 2.171 1.00 1.00 C ATOM 81 O HIS A 6 6.029 14.650 1.732 1.00 1.00 O ATOM 82 CB HIS A 6 4.390 16.983 0.832 1.00 1.00 C ATOM 83 CG HIS A 6 4.243 17.782 -0.433 1.00 1.00 C ATOM 84 ND1 HIS A 6 4.348 17.432 -1.756 1.00 1.00 N flip ATOM 85 CD2 HIS A 6 3.946 19.136 -0.422 1.00 1.00 C flip ATOM 86 CE1 HIS A 6 4.122 18.548 -2.556 1.00 1.00 C flip ATOM 87 NE2 HIS A 6 3.885 19.548 -1.702 1.00 1.00 N flip ATOM 0 H HIS A 6 6.247 17.049 -0.783 1.00 1.00 H new ATOM 0 HA HIS A 6 6.047 17.911 1.847 1.00 1.00 H new ATOM 0 HB2 HIS A 6 4.062 15.957 0.667 1.00 1.00 H new ATOM 0 HB3 HIS A 6 3.755 17.399 1.614 1.00 1.00 H new ATOM 0 HD2 HIS A 6 3.792 19.749 0.454 1.00 1.00 H new ATOM 0 HE1 HIS A 6 4.135 18.596 -3.635 1.00 1.00 H new ATOM 0 HE2 HIS A 6 3.683 20.507 -1.985 1.00 1.00 H new ATOM 95 N HIS A 7 6.480 16.060 3.425 1.00 1.00 N ATOM 96 CA HIS A 7 6.768 14.988 4.371 1.00 1.00 C ATOM 97 C HIS A 7 5.478 14.332 4.849 1.00 1.00 C ATOM 98 O HIS A 7 5.507 13.361 5.606 1.00 1.00 O ATOM 99 CB HIS A 7 7.538 15.543 5.571 1.00 1.00 C ATOM 100 CG HIS A 7 7.274 17.019 5.696 1.00 1.00 C ATOM 101 ND1 HIS A 7 6.055 17.519 6.126 1.00 1.00 N ATOM 102 CD2 HIS A 7 8.065 18.115 5.453 1.00 1.00 C ATOM 103 CE1 HIS A 7 6.145 18.861 6.128 1.00 1.00 C ATOM 104 NE2 HIS A 7 7.349 19.277 5.727 1.00 1.00 N ATOM 0 H HIS A 7 6.571 17.001 3.808 1.00 1.00 H new ATOM 0 HA HIS A 7 7.376 14.238 3.866 1.00 1.00 H new ATOM 0 HB2 HIS A 7 7.232 15.029 6.482 1.00 1.00 H new ATOM 0 HB3 HIS A 7 8.606 15.363 5.447 1.00 1.00 H new ATOM 0 HD2 HIS A 7 9.086 18.081 5.103 1.00 1.00 H new ATOM 0 HE1 HIS A 7 5.342 19.522 6.418 1.00 1.00 H new ATOM 0 HE2 HIS A 7 7.674 20.240 5.640 1.00 1.00 H new ATOM 112 N HIS A 8 4.345 14.868 4.405 1.00 1.00 N ATOM 113 CA HIS A 8 3.050 14.326 4.795 1.00 1.00 C ATOM 114 C HIS A 8 3.000 12.823 4.536 1.00 1.00 C ATOM 115 O HIS A 8 3.994 12.219 4.134 1.00 1.00 O ATOM 116 CB HIS A 8 1.936 15.018 4.011 1.00 1.00 C ATOM 117 CG HIS A 8 0.629 14.845 4.736 1.00 1.00 C ATOM 118 ND1 HIS A 8 -0.374 14.014 4.262 1.00 1.00 N ATOM 119 CD2 HIS A 8 0.146 15.387 5.901 1.00 1.00 C ATOM 120 CE1 HIS A 8 -1.399 14.080 5.131 1.00 1.00 C ATOM 121 NE2 HIS A 8 -1.135 14.903 6.149 1.00 1.00 N ATOM 0 H HIS A 8 4.298 15.672 3.779 1.00 1.00 H new ATOM 0 HA HIS A 8 2.908 14.505 5.861 1.00 1.00 H new ATOM 0 HB2 HIS A 8 2.162 16.078 3.896 1.00 1.00 H new ATOM 0 HB3 HIS A 8 1.866 14.596 3.008 1.00 1.00 H new ATOM 0 HD2 HIS A 8 0.680 16.084 6.530 1.00 1.00 H new ATOM 0 HE1 HIS A 8 -2.324 13.533 5.019 1.00 1.00 H new ATOM 0 HE2 HIS A 8 -1.741 15.128 6.938 1.00 1.00 H new ATOM 129 N MET A 9 1.834 12.226 4.768 1.00 1.00 N ATOM 130 CA MET A 9 1.667 10.793 4.555 1.00 1.00 C ATOM 131 C MET A 9 2.188 10.392 3.180 1.00 1.00 C ATOM 132 O MET A 9 2.071 11.147 2.216 1.00 1.00 O ATOM 133 CB MET A 9 0.190 10.415 4.673 1.00 1.00 C ATOM 134 CG MET A 9 -0.056 9.724 6.015 1.00 1.00 C ATOM 135 SD MET A 9 -1.837 9.611 6.318 1.00 1.00 S ATOM 136 CE MET A 9 -1.851 10.470 7.910 1.00 1.00 C ATOM 0 H MET A 9 0.999 12.708 5.100 1.00 1.00 H new ATOM 0 HA MET A 9 2.239 10.263 5.317 1.00 1.00 H new ATOM 0 HB2 MET A 9 -0.432 11.307 4.592 1.00 1.00 H new ATOM 0 HB3 MET A 9 -0.093 9.753 3.854 1.00 1.00 H new ATOM 0 HG2 MET A 9 0.387 8.728 6.010 1.00 1.00 H new ATOM 0 HG3 MET A 9 0.426 10.283 6.818 1.00 1.00 H new ATOM 0 HE1 MET A 9 -2.872 10.517 8.289 1.00 1.00 H new ATOM 0 HE2 MET A 9 -1.224 9.931 8.620 1.00 1.00 H new ATOM 0 HE3 MET A 9 -1.465 11.481 7.781 1.00 1.00 H new ATOM 146 N ASP A 10 2.765 9.198 3.100 1.00 1.00 N ATOM 147 CA ASP A 10 3.303 8.704 1.836 1.00 1.00 C ATOM 148 C ASP A 10 3.733 7.244 1.962 1.00 1.00 C ATOM 149 O ASP A 10 4.592 6.775 1.216 1.00 1.00 O ATOM 150 CB ASP A 10 4.504 9.554 1.418 1.00 1.00 C ATOM 151 CG ASP A 10 4.925 9.206 -0.005 1.00 1.00 C ATOM 152 OD1 ASP A 10 4.295 8.345 -0.596 1.00 1.00 O ATOM 153 OD2 ASP A 10 5.870 9.809 -0.485 1.00 1.00 O ATOM 0 H ASP A 10 2.872 8.559 3.887 1.00 1.00 H new ATOM 0 HA ASP A 10 2.521 8.773 1.080 1.00 1.00 H new ATOM 0 HB2 ASP A 10 4.250 10.612 1.481 1.00 1.00 H new ATOM 0 HB3 ASP A 10 5.335 9.384 2.103 1.00 1.00 H new ATOM 158 N THR A 11 3.133 6.533 2.910 1.00 1.00 N ATOM 159 CA THR A 11 3.465 5.129 3.122 1.00 1.00 C ATOM 160 C THR A 11 2.281 4.383 3.727 1.00 1.00 C ATOM 161 O THR A 11 1.780 4.750 4.790 1.00 1.00 O ATOM 162 CB THR A 11 4.682 5.020 4.047 1.00 1.00 C ATOM 163 OG1 THR A 11 5.870 5.129 3.276 1.00 1.00 O ATOM 164 CG2 THR A 11 4.670 3.672 4.775 1.00 1.00 C ATOM 0 H THR A 11 2.420 6.902 3.539 1.00 1.00 H new ATOM 0 HA THR A 11 3.702 4.676 2.159 1.00 1.00 H new ATOM 0 HB THR A 11 4.644 5.823 4.783 1.00 1.00 H new ATOM 0 HG1 THR A 11 5.693 5.668 2.477 1.00 1.00 H new ATOM 0 HG21 THR A 11 5.539 3.604 5.430 1.00 1.00 H new ATOM 0 HG22 THR A 11 3.760 3.588 5.369 1.00 1.00 H new ATOM 0 HG23 THR A 11 4.702 2.864 4.044 1.00 1.00 H new ATOM 172 N ILE A 12 1.849 3.332 3.043 1.00 1.00 N ATOM 173 CA ILE A 12 0.727 2.527 3.515 1.00 1.00 C ATOM 174 C ILE A 12 1.228 1.192 4.054 1.00 1.00 C ATOM 175 O ILE A 12 2.088 0.552 3.449 1.00 1.00 O ATOM 176 CB ILE A 12 -0.256 2.281 2.370 1.00 1.00 C ATOM 177 CG1 ILE A 12 0.523 2.030 1.077 1.00 1.00 C ATOM 178 CG2 ILE A 12 -1.153 3.509 2.193 1.00 1.00 C ATOM 179 CD1 ILE A 12 -0.424 1.483 0.007 1.00 1.00 C ATOM 0 H ILE A 12 2.256 3.017 2.162 1.00 1.00 H new ATOM 0 HA ILE A 12 0.221 3.067 4.315 1.00 1.00 H new ATOM 0 HB ILE A 12 -0.872 1.412 2.600 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.983 2.956 0.732 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.331 1.321 1.259 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.854 3.333 1.377 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -1.707 3.691 3.114 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -0.538 4.379 1.962 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.132 1.304 -0.914 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -0.863 0.547 0.353 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -1.216 2.207 -0.182 1.00 1.00 H new ATOM 191 N ILE A 13 0.688 0.780 5.195 1.00 1.00 N ATOM 192 CA ILE A 13 1.091 -0.481 5.809 1.00 1.00 C ATOM 193 C ILE A 13 0.040 -1.556 5.561 1.00 1.00 C ATOM 194 O ILE A 13 -1.116 -1.414 5.962 1.00 1.00 O ATOM 195 CB ILE A 13 1.282 -0.290 7.315 1.00 1.00 C ATOM 196 CG1 ILE A 13 2.578 0.485 7.568 1.00 1.00 C ATOM 197 CG2 ILE A 13 1.366 -1.658 7.996 1.00 1.00 C ATOM 198 CD1 ILE A 13 2.533 1.109 8.964 1.00 1.00 C ATOM 0 H ILE A 13 -0.025 1.296 5.711 1.00 1.00 H new ATOM 0 HA ILE A 13 2.032 -0.798 5.360 1.00 1.00 H new ATOM 0 HB ILE A 13 0.438 0.267 7.722 1.00 1.00 H new ATOM 0 HG12 ILE A 13 3.436 -0.182 7.483 1.00 1.00 H new ATOM 0 HG13 ILE A 13 2.703 1.262 6.814 1.00 1.00 H new ATOM 0 HG21 ILE A 13 1.502 -1.523 9.069 1.00 1.00 H new ATOM 0 HG22 ILE A 13 0.445 -2.212 7.814 1.00 1.00 H new ATOM 0 HG23 ILE A 13 2.211 -2.215 7.591 1.00 1.00 H new ATOM 0 HD11 ILE A 13 3.455 1.661 9.146 1.00 1.00 H new ATOM 0 HD12 ILE A 13 1.684 1.789 9.031 1.00 1.00 H new ATOM 0 HD13 ILE A 13 2.428 0.322 9.711 1.00 1.00 H new ATOM 210 N LEU A 14 0.447 -2.633 4.898 1.00 1.00 N ATOM 211 CA LEU A 14 -0.469 -3.728 4.603 1.00 1.00 C ATOM 212 C LEU A 14 -0.674 -4.599 5.837 1.00 1.00 C ATOM 213 O LEU A 14 0.286 -4.967 6.515 1.00 1.00 O ATOM 214 CB LEU A 14 0.085 -4.577 3.458 1.00 1.00 C ATOM 215 CG LEU A 14 0.617 -3.661 2.354 1.00 1.00 C ATOM 216 CD1 LEU A 14 1.007 -4.502 1.137 1.00 1.00 C ATOM 217 CD2 LEU A 14 -0.471 -2.662 1.955 1.00 1.00 C ATOM 0 H LEU A 14 1.398 -2.771 4.557 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.430 -3.307 4.308 1.00 1.00 H new ATOM 0 HB2 LEU A 14 0.882 -5.224 3.824 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -0.696 -5.226 3.062 1.00 1.00 H new ATOM 0 HG LEU A 14 1.492 -3.122 2.718 1.00 1.00 H new ATOM 0 HD11 LEU A 14 1.386 -3.850 0.350 1.00 1.00 H new ATOM 0 HD12 LEU A 14 1.780 -5.216 1.421 1.00 1.00 H new ATOM 0 HD13 LEU A 14 0.133 -5.041 0.772 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -0.094 -2.008 1.168 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -1.345 -3.202 1.590 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -0.750 -2.063 2.822 1.00 1.00 H new ATOM 229 N ARG A 15 -1.932 -4.920 6.123 1.00 1.00 N ATOM 230 CA ARG A 15 -2.269 -5.746 7.277 1.00 1.00 C ATOM 231 C ARG A 15 -2.923 -7.047 6.827 1.00 1.00 C ATOM 232 O ARG A 15 -3.633 -7.075 5.825 1.00 1.00 O ATOM 233 CB ARG A 15 -3.219 -4.973 8.199 1.00 1.00 C ATOM 234 CG ARG A 15 -4.079 -5.943 9.017 1.00 1.00 C ATOM 235 CD ARG A 15 -4.685 -5.200 10.211 1.00 1.00 C ATOM 236 NE ARG A 15 -3.803 -5.305 11.367 1.00 1.00 N ATOM 237 CZ ARG A 15 -3.922 -4.480 12.403 1.00 1.00 C ATOM 238 NH1 ARG A 15 -4.850 -3.562 12.402 1.00 1.00 N ATOM 239 NH2 ARG A 15 -3.112 -4.589 13.418 1.00 1.00 N ATOM 0 H ARG A 15 -2.735 -4.620 5.571 1.00 1.00 H new ATOM 0 HA ARG A 15 -1.355 -5.988 7.819 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -2.645 -4.333 8.869 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -3.860 -4.320 7.606 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -4.870 -6.360 8.394 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -3.473 -6.780 9.364 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -4.840 -4.152 9.956 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -5.663 -5.618 10.451 1.00 1.00 H new ATOM 0 HE ARG A 15 -3.081 -6.025 11.381 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -5.483 -3.478 11.607 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -4.942 -2.929 13.196 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -2.387 -5.307 13.417 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -3.203 -3.956 14.213 1.00 1.00 H new ATOM 253 N ASN A 16 -2.670 -8.115 7.581 1.00 1.00 N ATOM 254 CA ASN A 16 -3.230 -9.428 7.277 1.00 1.00 C ATOM 255 C ASN A 16 -2.431 -10.119 6.177 1.00 1.00 C ATOM 256 O ASN A 16 -2.989 -10.563 5.175 1.00 1.00 O ATOM 257 CB ASN A 16 -4.687 -9.287 6.843 1.00 1.00 C ATOM 258 CG ASN A 16 -5.459 -10.571 7.130 1.00 1.00 C ATOM 259 OD1 ASN A 16 -5.162 -11.279 8.093 1.00 1.00 O ATOM 260 ND2 ASN A 16 -6.450 -10.906 6.352 1.00 1.00 N ATOM 0 H ASN A 16 -2.077 -8.095 8.411 1.00 1.00 H new ATOM 0 HA ASN A 16 -3.177 -10.038 8.179 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -5.150 -8.452 7.370 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -4.735 -9.058 5.778 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -6.981 -11.756 6.540 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -6.694 -10.318 5.555 1.00 1.00 H new ATOM 267 N ILE A 17 -1.120 -10.217 6.377 1.00 1.00 N ATOM 268 CA ILE A 17 -0.253 -10.864 5.399 1.00 1.00 C ATOM 269 C ILE A 17 -0.001 -12.315 5.793 1.00 1.00 C ATOM 270 O ILE A 17 0.455 -12.596 6.902 1.00 1.00 O ATOM 271 CB ILE A 17 1.086 -10.125 5.313 1.00 1.00 C ATOM 272 CG1 ILE A 17 0.846 -8.620 5.125 1.00 1.00 C ATOM 273 CG2 ILE A 17 1.902 -10.666 4.139 1.00 1.00 C ATOM 274 CD1 ILE A 17 -0.094 -8.379 3.939 1.00 1.00 C ATOM 0 H ILE A 17 -0.638 -9.859 7.202 1.00 1.00 H new ATOM 0 HA ILE A 17 -0.748 -10.835 4.428 1.00 1.00 H new ATOM 0 HB ILE A 17 1.638 -10.285 6.240 1.00 1.00 H new ATOM 0 HG12 ILE A 17 0.415 -8.197 6.032 1.00 1.00 H new ATOM 0 HG13 ILE A 17 1.795 -8.111 4.956 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.853 -10.137 4.083 1.00 1.00 H new ATOM 0 HG22 ILE A 17 2.087 -11.730 4.284 1.00 1.00 H new ATOM 0 HG23 ILE A 17 1.348 -10.517 3.212 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -0.257 -7.308 3.815 1.00 1.00 H new ATOM 0 HD12 ILE A 17 0.353 -8.785 3.032 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -1.048 -8.872 4.125 1.00 1.00 H new ATOM 286 N ALA A 18 -0.299 -13.232 4.881 1.00 1.00 N ATOM 287 CA ALA A 18 -0.094 -14.651 5.150 1.00 1.00 C ATOM 288 C ALA A 18 1.399 -14.980 5.169 1.00 1.00 C ATOM 289 O ALA A 18 2.215 -14.220 4.650 1.00 1.00 O ATOM 290 CB ALA A 18 -0.793 -15.493 4.079 1.00 1.00 C ATOM 0 H ALA A 18 -0.679 -13.023 3.958 1.00 1.00 H new ATOM 0 HA ALA A 18 -0.519 -14.884 6.126 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.635 -16.551 4.287 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.861 -15.277 4.087 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.381 -15.251 3.099 1.00 1.00 H new ATOM 296 N PRO A 19 1.765 -16.092 5.753 1.00 1.00 N ATOM 297 CA PRO A 19 3.194 -16.526 5.836 1.00 1.00 C ATOM 298 C PRO A 19 3.748 -16.951 4.479 1.00 1.00 C ATOM 299 O PRO A 19 4.885 -17.414 4.382 1.00 1.00 O ATOM 300 CB PRO A 19 3.158 -17.715 6.800 1.00 1.00 C ATOM 301 CG PRO A 19 1.766 -18.245 6.727 1.00 1.00 C ATOM 302 CD PRO A 19 0.862 -17.059 6.398 1.00 1.00 C ATOM 0 HA PRO A 19 3.845 -15.718 6.169 1.00 1.00 H new ATOM 0 HB2 PRO A 19 3.883 -18.476 6.512 1.00 1.00 H new ATOM 0 HB3 PRO A 19 3.407 -17.405 7.815 1.00 1.00 H new ATOM 0 HG2 PRO A 19 1.685 -19.017 5.962 1.00 1.00 H new ATOM 0 HG3 PRO A 19 1.476 -18.702 7.673 1.00 1.00 H new ATOM 0 HD2 PRO A 19 0.048 -17.350 5.734 1.00 1.00 H new ATOM 0 HD3 PRO A 19 0.407 -16.642 7.297 1.00 1.00 H new ATOM 310 N HIS A 20 2.935 -16.798 3.438 1.00 1.00 N ATOM 311 CA HIS A 20 3.345 -17.176 2.087 1.00 1.00 C ATOM 312 C HIS A 20 3.401 -15.954 1.176 1.00 1.00 C ATOM 313 O HIS A 20 3.220 -16.065 -0.037 1.00 1.00 O ATOM 314 CB HIS A 20 2.355 -18.189 1.513 1.00 1.00 C ATOM 315 CG HIS A 20 2.951 -18.847 0.300 1.00 1.00 C ATOM 316 ND1 HIS A 20 2.825 -18.585 -1.041 1.00 1.00 N flip ATOM 317 CD2 HIS A 20 3.807 -19.934 0.395 1.00 1.00 C flip ATOM 318 CE1 HIS A 20 3.588 -19.493 -1.769 1.00 1.00 C flip ATOM 319 NE2 HIS A 20 4.158 -20.284 -0.856 1.00 1.00 N flip ATOM 0 H HIS A 20 1.991 -16.416 3.502 1.00 1.00 H new ATOM 0 HA HIS A 20 4.340 -17.619 2.141 1.00 1.00 H new ATOM 0 HB2 HIS A 20 2.112 -18.941 2.264 1.00 1.00 H new ATOM 0 HB3 HIS A 20 1.423 -17.691 1.247 1.00 1.00 H new ATOM 0 HD2 HIS A 20 4.133 -20.412 1.307 1.00 1.00 H new ATOM 0 HE1 HIS A 20 3.696 -19.547 -2.842 1.00 1.00 H new ATOM 0 HE2 HIS A 20 4.783 -21.059 -1.080 1.00 1.00 H new ATOM 327 N THR A 21 3.645 -14.790 1.764 1.00 1.00 N ATOM 328 CA THR A 21 3.717 -13.557 0.987 1.00 1.00 C ATOM 329 C THR A 21 5.127 -13.329 0.454 1.00 1.00 C ATOM 330 O THR A 21 6.112 -13.536 1.164 1.00 1.00 O ATOM 331 CB THR A 21 3.294 -12.370 1.854 1.00 1.00 C ATOM 332 OG1 THR A 21 1.877 -12.357 1.966 1.00 1.00 O ATOM 333 CG2 THR A 21 3.769 -11.068 1.206 1.00 1.00 C ATOM 0 H THR A 21 3.795 -14.672 2.766 1.00 1.00 H new ATOM 0 HA THR A 21 3.039 -13.648 0.138 1.00 1.00 H new ATOM 0 HB THR A 21 3.739 -12.461 2.845 1.00 1.00 H new ATOM 0 HG1 THR A 21 1.506 -11.698 1.342 1.00 1.00 H new ATOM 0 HG21 THR A 21 3.467 -10.223 1.824 1.00 1.00 H new ATOM 0 HG22 THR A 21 4.855 -11.082 1.115 1.00 1.00 H new ATOM 0 HG23 THR A 21 3.324 -10.971 0.216 1.00 1.00 H new ATOM 341 N VAL A 22 5.214 -12.898 -0.800 1.00 1.00 N ATOM 342 CA VAL A 22 6.505 -12.639 -1.425 1.00 1.00 C ATOM 343 C VAL A 22 6.475 -11.316 -2.183 1.00 1.00 C ATOM 344 O VAL A 22 5.468 -10.967 -2.799 1.00 1.00 O ATOM 345 CB VAL A 22 6.858 -13.773 -2.388 1.00 1.00 C ATOM 346 CG1 VAL A 22 7.792 -14.764 -1.690 1.00 1.00 C ATOM 347 CG2 VAL A 22 5.577 -14.495 -2.814 1.00 1.00 C ATOM 0 H VAL A 22 4.409 -12.721 -1.401 1.00 1.00 H new ATOM 0 HA VAL A 22 7.261 -12.581 -0.642 1.00 1.00 H new ATOM 0 HB VAL A 22 7.355 -13.362 -3.267 1.00 1.00 H new ATOM 0 HG11 VAL A 22 8.044 -15.572 -2.377 1.00 1.00 H new ATOM 0 HG12 VAL A 22 8.704 -14.251 -1.384 1.00 1.00 H new ATOM 0 HG13 VAL A 22 7.295 -15.176 -0.812 1.00 1.00 H new ATOM 0 HG21 VAL A 22 5.826 -15.304 -3.501 1.00 1.00 H new ATOM 0 HG22 VAL A 22 5.081 -14.906 -1.934 1.00 1.00 H new ATOM 0 HG23 VAL A 22 4.910 -13.790 -3.311 1.00 1.00 H new ATOM 357 N VAL A 23 7.584 -10.585 -2.136 1.00 1.00 N ATOM 358 CA VAL A 23 7.671 -9.301 -2.823 1.00 1.00 C ATOM 359 C VAL A 23 7.327 -9.459 -4.301 1.00 1.00 C ATOM 360 O VAL A 23 6.959 -8.493 -4.970 1.00 1.00 O ATOM 361 CB VAL A 23 9.083 -8.730 -2.685 1.00 1.00 C ATOM 362 CG1 VAL A 23 9.050 -7.222 -2.938 1.00 1.00 C ATOM 363 CG2 VAL A 23 9.603 -8.997 -1.271 1.00 1.00 C ATOM 0 H VAL A 23 8.429 -10.857 -1.634 1.00 1.00 H new ATOM 0 HA VAL A 23 6.956 -8.617 -2.366 1.00 1.00 H new ATOM 0 HB VAL A 23 9.741 -9.206 -3.412 1.00 1.00 H new ATOM 0 HG11 VAL A 23 10.056 -6.814 -2.840 1.00 1.00 H new ATOM 0 HG12 VAL A 23 8.677 -7.030 -3.944 1.00 1.00 H new ATOM 0 HG13 VAL A 23 8.393 -6.745 -2.211 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.609 -8.591 -1.171 1.00 1.00 H new ATOM 0 HG22 VAL A 23 8.945 -8.519 -0.545 1.00 1.00 H new ATOM 0 HG23 VAL A 23 9.626 -10.071 -1.088 1.00 1.00 H new ATOM 373 N ASP A 24 7.453 -10.681 -4.807 1.00 1.00 N ATOM 374 CA ASP A 24 7.155 -10.955 -6.208 1.00 1.00 C ATOM 375 C ASP A 24 5.651 -10.903 -6.458 1.00 1.00 C ATOM 376 O ASP A 24 5.201 -10.392 -7.484 1.00 1.00 O ATOM 377 CB ASP A 24 7.689 -12.336 -6.593 1.00 1.00 C ATOM 378 CG ASP A 24 8.497 -12.245 -7.882 1.00 1.00 C ATOM 379 OD1 ASP A 24 9.609 -11.745 -7.828 1.00 1.00 O ATOM 380 OD2 ASP A 24 7.995 -12.680 -8.905 1.00 1.00 O ATOM 0 H ASP A 24 7.758 -11.494 -4.271 1.00 1.00 H new ATOM 0 HA ASP A 24 7.639 -10.193 -6.818 1.00 1.00 H new ATOM 0 HB2 ASP A 24 8.313 -12.730 -5.791 1.00 1.00 H new ATOM 0 HB3 ASP A 24 6.860 -13.032 -6.723 1.00 1.00 H new ATOM 385 N SER A 25 4.878 -11.438 -5.518 1.00 1.00 N ATOM 386 CA SER A 25 3.426 -11.450 -5.649 1.00 1.00 C ATOM 387 C SER A 25 2.864 -10.033 -5.589 1.00 1.00 C ATOM 388 O SER A 25 2.166 -9.592 -6.502 1.00 1.00 O ATOM 389 CB SER A 25 2.809 -12.292 -4.533 1.00 1.00 C ATOM 390 OG SER A 25 3.052 -13.668 -4.793 1.00 1.00 O ATOM 0 H SER A 25 5.231 -11.866 -4.662 1.00 1.00 H new ATOM 0 HA SER A 25 3.174 -11.885 -6.616 1.00 1.00 H new ATOM 0 HB2 SER A 25 3.237 -12.011 -3.571 1.00 1.00 H new ATOM 0 HB3 SER A 25 1.737 -12.106 -4.472 1.00 1.00 H new ATOM 0 HG SER A 25 2.659 -14.210 -4.078 1.00 1.00 H new ATOM 396 N ILE A 26 3.172 -9.325 -4.507 1.00 1.00 N ATOM 397 CA ILE A 26 2.689 -7.957 -4.338 1.00 1.00 C ATOM 398 C ILE A 26 2.996 -7.123 -5.578 1.00 1.00 C ATOM 399 O ILE A 26 2.138 -6.393 -6.074 1.00 1.00 O ATOM 400 CB ILE A 26 3.349 -7.319 -3.113 1.00 1.00 C ATOM 401 CG1 ILE A 26 2.847 -8.012 -1.838 1.00 1.00 C ATOM 402 CG2 ILE A 26 3.010 -5.825 -3.068 1.00 1.00 C ATOM 403 CD1 ILE A 26 1.581 -7.320 -1.319 1.00 1.00 C ATOM 0 H ILE A 26 3.748 -9.671 -3.740 1.00 1.00 H new ATOM 0 HA ILE A 26 1.609 -7.987 -4.194 1.00 1.00 H new ATOM 0 HB ILE A 26 4.431 -7.437 -3.179 1.00 1.00 H new ATOM 0 HG12 ILE A 26 2.637 -9.061 -2.045 1.00 1.00 H new ATOM 0 HG13 ILE A 26 3.623 -7.987 -1.073 1.00 1.00 H new ATOM 0 HG21 ILE A 26 3.480 -5.371 -2.196 1.00 1.00 H new ATOM 0 HG22 ILE A 26 3.379 -5.341 -3.972 1.00 1.00 H new ATOM 0 HG23 ILE A 26 1.929 -5.699 -3.004 1.00 1.00 H new ATOM 0 HD11 ILE A 26 1.237 -7.822 -0.415 1.00 1.00 H new ATOM 0 HD12 ILE A 26 1.803 -6.277 -1.093 1.00 1.00 H new ATOM 0 HD13 ILE A 26 0.802 -7.368 -2.080 1.00 1.00 H new ATOM 415 N MET A 27 4.226 -7.232 -6.070 1.00 1.00 N ATOM 416 CA MET A 27 4.638 -6.482 -7.251 1.00 1.00 C ATOM 417 C MET A 27 3.628 -6.647 -8.384 1.00 1.00 C ATOM 418 O MET A 27 3.061 -5.670 -8.871 1.00 1.00 O ATOM 419 CB MET A 27 6.014 -6.965 -7.717 1.00 1.00 C ATOM 420 CG MET A 27 7.099 -6.341 -6.839 1.00 1.00 C ATOM 421 SD MET A 27 8.602 -7.346 -6.929 1.00 1.00 S ATOM 422 CE MET A 27 9.789 -5.981 -6.924 1.00 1.00 C ATOM 0 H MET A 27 4.951 -7.829 -5.672 1.00 1.00 H new ATOM 0 HA MET A 27 4.689 -5.426 -6.985 1.00 1.00 H new ATOM 0 HB2 MET A 27 6.067 -8.052 -7.661 1.00 1.00 H new ATOM 0 HB3 MET A 27 6.173 -6.691 -8.760 1.00 1.00 H new ATOM 0 HG2 MET A 27 7.309 -5.324 -7.170 1.00 1.00 H new ATOM 0 HG3 MET A 27 6.754 -6.276 -5.807 1.00 1.00 H new ATOM 0 HE1 MET A 27 10.723 -6.313 -6.471 1.00 1.00 H new ATOM 0 HE2 MET A 27 9.977 -5.658 -7.948 1.00 1.00 H new ATOM 0 HE3 MET A 27 9.383 -5.148 -6.350 1.00 1.00 H new ATOM 432 N THR A 28 3.413 -7.890 -8.804 1.00 1.00 N ATOM 433 CA THR A 28 2.475 -8.171 -9.887 1.00 1.00 C ATOM 434 C THR A 28 1.046 -7.830 -9.472 1.00 1.00 C ATOM 435 O THR A 28 0.210 -7.496 -10.312 1.00 1.00 O ATOM 436 CB THR A 28 2.555 -9.651 -10.271 1.00 1.00 C ATOM 437 OG1 THR A 28 3.916 -10.061 -10.285 1.00 1.00 O ATOM 438 CG2 THR A 28 1.944 -9.852 -11.659 1.00 1.00 C ATOM 0 H THR A 28 3.872 -8.714 -8.415 1.00 1.00 H new ATOM 0 HA THR A 28 2.746 -7.553 -10.743 1.00 1.00 H new ATOM 0 HB THR A 28 2.003 -10.247 -9.544 1.00 1.00 H new ATOM 0 HG1 THR A 28 3.970 -11.009 -10.529 1.00 1.00 H new ATOM 0 HG21 THR A 28 2.001 -10.906 -11.932 1.00 1.00 H new ATOM 0 HG22 THR A 28 0.901 -9.536 -11.647 1.00 1.00 H new ATOM 0 HG23 THR A 28 2.494 -9.258 -12.388 1.00 1.00 H new ATOM 446 N ALA A 29 0.770 -7.924 -8.175 1.00 1.00 N ATOM 447 CA ALA A 29 -0.565 -7.632 -7.664 1.00 1.00 C ATOM 448 C ALA A 29 -0.859 -6.134 -7.715 1.00 1.00 C ATOM 449 O ALA A 29 -1.997 -5.724 -7.947 1.00 1.00 O ATOM 450 CB ALA A 29 -0.689 -8.126 -6.222 1.00 1.00 C ATOM 0 H ALA A 29 1.447 -8.198 -7.463 1.00 1.00 H new ATOM 0 HA ALA A 29 -1.289 -8.148 -8.295 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -1.688 -7.905 -5.846 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -0.519 -9.202 -6.190 1.00 1.00 H new ATOM 0 HB3 ALA A 29 0.052 -7.623 -5.600 1.00 1.00 H new ATOM 456 N LEU A 30 0.167 -5.322 -7.488 1.00 1.00 N ATOM 457 CA LEU A 30 0.000 -3.870 -7.502 1.00 1.00 C ATOM 458 C LEU A 30 0.491 -3.275 -8.820 1.00 1.00 C ATOM 459 O LEU A 30 0.567 -2.058 -8.969 1.00 1.00 O ATOM 460 CB LEU A 30 0.780 -3.244 -6.341 1.00 1.00 C ATOM 461 CG LEU A 30 0.024 -3.454 -5.020 1.00 1.00 C ATOM 462 CD1 LEU A 30 0.902 -3.000 -3.854 1.00 1.00 C ATOM 463 CD2 LEU A 30 -1.280 -2.644 -5.014 1.00 1.00 C ATOM 0 H LEU A 30 1.117 -5.639 -7.293 1.00 1.00 H new ATOM 0 HA LEU A 30 -1.062 -3.650 -7.394 1.00 1.00 H new ATOM 0 HB2 LEU A 30 1.772 -3.692 -6.276 1.00 1.00 H new ATOM 0 HB3 LEU A 30 0.923 -2.179 -6.522 1.00 1.00 H new ATOM 0 HG LEU A 30 -0.215 -4.513 -4.918 1.00 1.00 H new ATOM 0 HD11 LEU A 30 0.367 -3.148 -2.916 1.00 1.00 H new ATOM 0 HD12 LEU A 30 1.822 -3.584 -3.843 1.00 1.00 H new ATOM 0 HD13 LEU A 30 1.144 -1.944 -3.970 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -1.803 -2.804 -4.071 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -1.051 -1.584 -5.126 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.913 -2.968 -5.840 1.00 1.00 H new ATOM 475 N SER A 31 0.832 -4.141 -9.768 1.00 1.00 N ATOM 476 CA SER A 31 1.326 -3.686 -11.064 1.00 1.00 C ATOM 477 C SER A 31 0.293 -2.822 -11.790 1.00 1.00 C ATOM 478 O SER A 31 0.603 -1.701 -12.199 1.00 1.00 O ATOM 479 CB SER A 31 1.706 -4.884 -11.936 1.00 1.00 C ATOM 480 OG SER A 31 1.073 -4.764 -13.202 1.00 1.00 O ATOM 0 H SER A 31 0.776 -5.154 -9.666 1.00 1.00 H new ATOM 0 HA SER A 31 2.210 -3.074 -10.883 1.00 1.00 H new ATOM 0 HB2 SER A 31 2.788 -4.929 -12.061 1.00 1.00 H new ATOM 0 HB3 SER A 31 1.402 -5.812 -11.451 1.00 1.00 H new ATOM 0 HG SER A 31 1.316 -5.530 -13.763 1.00 1.00 H new ATOM 486 N PRO A 32 -0.913 -3.304 -11.970 1.00 1.00 N ATOM 487 CA PRO A 32 -1.978 -2.533 -12.673 1.00 1.00 C ATOM 488 C PRO A 32 -2.585 -1.450 -11.788 1.00 1.00 C ATOM 489 O PRO A 32 -3.422 -0.664 -12.236 1.00 1.00 O ATOM 490 CB PRO A 32 -3.016 -3.595 -13.030 1.00 1.00 C ATOM 491 CG PRO A 32 -2.858 -4.664 -12.000 1.00 1.00 C ATOM 492 CD PRO A 32 -1.402 -4.624 -11.528 1.00 1.00 C ATOM 0 HA PRO A 32 -1.592 -2.000 -13.542 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -4.024 -3.180 -13.015 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -2.848 -3.987 -14.033 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -3.538 -4.497 -11.165 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -3.100 -5.641 -12.419 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -1.331 -4.733 -10.446 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.818 -5.433 -11.968 1.00 1.00 H new ATOM 500 N TYR A 33 -2.162 -1.418 -10.531 1.00 1.00 N ATOM 501 CA TYR A 33 -2.672 -0.428 -9.587 1.00 1.00 C ATOM 502 C TYR A 33 -1.653 0.688 -9.367 1.00 1.00 C ATOM 503 O TYR A 33 -2.018 1.815 -9.031 1.00 1.00 O ATOM 504 CB TYR A 33 -2.995 -1.099 -8.250 1.00 1.00 C ATOM 505 CG TYR A 33 -4.123 -2.083 -8.443 1.00 1.00 C ATOM 506 CD1 TYR A 33 -3.844 -3.414 -8.779 1.00 1.00 C ATOM 507 CD2 TYR A 33 -5.450 -1.665 -8.282 1.00 1.00 C ATOM 508 CE1 TYR A 33 -4.891 -4.325 -8.955 1.00 1.00 C ATOM 509 CE2 TYR A 33 -6.497 -2.577 -8.460 1.00 1.00 C ATOM 510 CZ TYR A 33 -6.218 -3.907 -8.795 1.00 1.00 C ATOM 511 OH TYR A 33 -7.249 -4.806 -8.970 1.00 1.00 O ATOM 0 H TYR A 33 -1.472 -2.061 -10.142 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.580 0.007 -10.005 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -2.113 -1.611 -7.865 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -3.275 -0.348 -7.512 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -2.821 -3.737 -8.902 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.665 -0.639 -8.021 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -4.676 -5.351 -9.214 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -7.520 -2.254 -8.339 1.00 1.00 H new ATOM 0 HH TYR A 33 -8.106 -4.354 -8.821 1.00 1.00 H new ATOM 521 N ALA A 34 -0.377 0.370 -9.558 1.00 1.00 N ATOM 522 CA ALA A 34 0.683 1.356 -9.377 1.00 1.00 C ATOM 523 C ALA A 34 2.053 0.709 -9.563 1.00 1.00 C ATOM 524 O ALA A 34 2.271 -0.432 -9.159 1.00 1.00 O ATOM 525 CB ALA A 34 0.592 1.970 -7.979 1.00 1.00 C ATOM 0 H ALA A 34 -0.053 -0.556 -9.836 1.00 1.00 H new ATOM 0 HA ALA A 34 0.558 2.138 -10.126 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.387 2.705 -7.852 1.00 1.00 H new ATOM 0 HB2 ALA A 34 -0.376 2.457 -7.858 1.00 1.00 H new ATOM 0 HB3 ALA A 34 0.700 1.186 -7.230 1.00 1.00 H new ATOM 531 N SER A 35 2.972 1.445 -10.176 1.00 1.00 N ATOM 532 CA SER A 35 4.316 0.930 -10.409 1.00 1.00 C ATOM 533 C SER A 35 5.207 1.188 -9.199 1.00 1.00 C ATOM 534 O SER A 35 5.958 2.164 -9.164 1.00 1.00 O ATOM 535 CB SER A 35 4.923 1.593 -11.645 1.00 1.00 C ATOM 536 OG SER A 35 4.278 2.838 -11.876 1.00 1.00 O ATOM 0 H SER A 35 2.814 2.393 -10.518 1.00 1.00 H new ATOM 0 HA SER A 35 4.249 -0.146 -10.572 1.00 1.00 H new ATOM 0 HB2 SER A 35 5.993 1.746 -11.501 1.00 1.00 H new ATOM 0 HB3 SER A 35 4.808 0.944 -12.513 1.00 1.00 H new ATOM 0 HG SER A 35 4.667 3.266 -12.667 1.00 1.00 H new ATOM 542 N LEU A 36 5.119 0.306 -8.211 1.00 1.00 N ATOM 543 CA LEU A 36 5.921 0.446 -7.005 1.00 1.00 C ATOM 544 C LEU A 36 7.406 0.343 -7.336 1.00 1.00 C ATOM 545 O LEU A 36 7.787 0.273 -8.503 1.00 1.00 O ATOM 546 CB LEU A 36 5.536 -0.632 -5.983 1.00 1.00 C ATOM 547 CG LEU A 36 5.200 -1.952 -6.687 1.00 1.00 C ATOM 548 CD1 LEU A 36 6.348 -2.363 -7.610 1.00 1.00 C ATOM 549 CD2 LEU A 36 4.990 -3.042 -5.632 1.00 1.00 C ATOM 0 H LEU A 36 4.504 -0.508 -8.222 1.00 1.00 H new ATOM 0 HA LEU A 36 5.726 1.428 -6.574 1.00 1.00 H new ATOM 0 HB2 LEU A 36 6.357 -0.786 -5.283 1.00 1.00 H new ATOM 0 HB3 LEU A 36 4.679 -0.297 -5.399 1.00 1.00 H new ATOM 0 HG LEU A 36 4.294 -1.822 -7.279 1.00 1.00 H new ATOM 0 HD11 LEU A 36 6.099 -3.302 -8.105 1.00 1.00 H new ATOM 0 HD12 LEU A 36 6.507 -1.588 -8.360 1.00 1.00 H new ATOM 0 HD13 LEU A 36 7.258 -2.492 -7.024 1.00 1.00 H new ATOM 0 HD21 LEU A 36 4.751 -3.984 -6.125 1.00 1.00 H new ATOM 0 HD22 LEU A 36 5.901 -3.161 -5.045 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.169 -2.758 -4.974 1.00 1.00 H new ATOM 561 N ALA A 37 8.238 0.342 -6.300 1.00 1.00 N ATOM 562 CA ALA A 37 9.682 0.252 -6.497 1.00 1.00 C ATOM 563 C ALA A 37 10.314 -0.635 -5.428 1.00 1.00 C ATOM 564 O ALA A 37 10.095 -0.438 -4.233 1.00 1.00 O ATOM 565 CB ALA A 37 10.301 1.651 -6.451 1.00 1.00 C ATOM 0 H ALA A 37 7.943 0.402 -5.325 1.00 1.00 H new ATOM 0 HA ALA A 37 9.874 -0.193 -7.473 1.00 1.00 H new ATOM 0 HB1 ALA A 37 11.378 1.577 -6.599 1.00 1.00 H new ATOM 0 HB2 ALA A 37 9.868 2.267 -7.240 1.00 1.00 H new ATOM 0 HB3 ALA A 37 10.098 2.107 -5.482 1.00 1.00 H new ATOM 571 N VAL A 38 11.092 -1.620 -5.870 1.00 1.00 N ATOM 572 CA VAL A 38 11.748 -2.544 -4.952 1.00 1.00 C ATOM 573 C VAL A 38 12.477 -1.796 -3.836 1.00 1.00 C ATOM 574 O VAL A 38 12.480 -2.232 -2.685 1.00 1.00 O ATOM 575 CB VAL A 38 12.748 -3.414 -5.717 1.00 1.00 C ATOM 576 CG1 VAL A 38 13.012 -4.700 -4.930 1.00 1.00 C ATOM 577 CG2 VAL A 38 12.173 -3.765 -7.089 1.00 1.00 C ATOM 0 H VAL A 38 11.283 -1.798 -6.856 1.00 1.00 H new ATOM 0 HA VAL A 38 10.979 -3.171 -4.501 1.00 1.00 H new ATOM 0 HB VAL A 38 13.682 -2.867 -5.844 1.00 1.00 H new ATOM 0 HG11 VAL A 38 13.724 -5.320 -5.474 1.00 1.00 H new ATOM 0 HG12 VAL A 38 13.422 -4.450 -3.952 1.00 1.00 H new ATOM 0 HG13 VAL A 38 12.078 -5.247 -4.803 1.00 1.00 H new ATOM 0 HG21 VAL A 38 12.885 -4.385 -7.634 1.00 1.00 H new ATOM 0 HG22 VAL A 38 11.238 -4.312 -6.963 1.00 1.00 H new ATOM 0 HG23 VAL A 38 11.985 -2.849 -7.650 1.00 1.00 H new ATOM 587 N ASN A 39 13.110 -0.681 -4.187 1.00 1.00 N ATOM 588 CA ASN A 39 13.856 0.106 -3.207 1.00 1.00 C ATOM 589 C ASN A 39 12.930 0.994 -2.379 1.00 1.00 C ATOM 590 O ASN A 39 13.395 1.762 -1.536 1.00 1.00 O ATOM 591 CB ASN A 39 14.890 0.978 -3.921 1.00 1.00 C ATOM 592 CG ASN A 39 15.570 0.183 -5.029 1.00 1.00 C ATOM 593 OD1 ASN A 39 15.857 -1.003 -4.859 1.00 1.00 O ATOM 594 ND2 ASN A 39 15.852 0.769 -6.162 1.00 1.00 N ATOM 0 H ASN A 39 13.123 -0.303 -5.134 1.00 1.00 H new ATOM 0 HA ASN A 39 14.356 -0.589 -2.532 1.00 1.00 H new ATOM 0 HB2 ASN A 39 14.406 1.860 -4.340 1.00 1.00 H new ATOM 0 HB3 ASN A 39 15.634 1.332 -3.207 1.00 1.00 H new ATOM 0 HD21 ASN A 39 16.310 0.245 -6.907 1.00 1.00 H new ATOM 0 HD22 ASN A 39 15.614 1.751 -6.301 1.00 1.00 H new ATOM 601 N ASN A 40 11.627 0.891 -2.624 1.00 1.00 N ATOM 602 CA ASN A 40 10.649 1.698 -1.890 1.00 1.00 C ATOM 603 C ASN A 40 9.730 0.813 -1.051 1.00 1.00 C ATOM 604 O ASN A 40 8.822 1.306 -0.384 1.00 1.00 O ATOM 605 CB ASN A 40 9.807 2.523 -2.877 1.00 1.00 C ATOM 606 CG ASN A 40 9.682 3.979 -2.431 1.00 1.00 C ATOM 607 OD1 ASN A 40 10.021 4.326 -1.298 1.00 1.00 O ATOM 608 ND2 ASN A 40 9.199 4.856 -3.266 1.00 1.00 N ATOM 0 H ASN A 40 11.223 0.263 -3.319 1.00 1.00 H new ATOM 0 HA ASN A 40 11.192 2.367 -1.222 1.00 1.00 H new ATOM 0 HB2 ASN A 40 10.263 2.483 -3.866 1.00 1.00 H new ATOM 0 HB3 ASN A 40 8.814 2.083 -2.965 1.00 1.00 H new ATOM 0 HD21 ASN A 40 9.101 5.831 -2.982 1.00 1.00 H new ATOM 0 HD22 ASN A 40 8.919 4.567 -4.203 1.00 1.00 H new ATOM 615 N ILE A 41 9.973 -0.495 -1.082 1.00 1.00 N ATOM 616 CA ILE A 41 9.163 -1.429 -0.318 1.00 1.00 C ATOM 617 C ILE A 41 10.048 -2.490 0.328 1.00 1.00 C ATOM 618 O ILE A 41 10.843 -3.145 -0.350 1.00 1.00 O ATOM 619 CB ILE A 41 8.136 -2.092 -1.237 1.00 1.00 C ATOM 620 CG1 ILE A 41 8.840 -3.035 -2.218 1.00 1.00 C ATOM 621 CG2 ILE A 41 7.384 -1.015 -2.020 1.00 1.00 C ATOM 622 CD1 ILE A 41 7.897 -3.362 -3.376 1.00 1.00 C ATOM 0 H ILE A 41 10.720 -0.926 -1.626 1.00 1.00 H new ATOM 0 HA ILE A 41 8.641 -0.884 0.469 1.00 1.00 H new ATOM 0 HB ILE A 41 7.434 -2.665 -0.632 1.00 1.00 H new ATOM 0 HG12 ILE A 41 9.750 -2.570 -2.596 1.00 1.00 H new ATOM 0 HG13 ILE A 41 9.138 -3.951 -1.708 1.00 1.00 H new ATOM 0 HG21 ILE A 41 6.652 -1.486 -2.675 1.00 1.00 H new ATOM 0 HG22 ILE A 41 6.873 -0.349 -1.324 1.00 1.00 H new ATOM 0 HG23 ILE A 41 8.091 -0.441 -2.619 1.00 1.00 H new ATOM 0 HD11 ILE A 41 8.397 -4.033 -4.074 1.00 1.00 H new ATOM 0 HD12 ILE A 41 6.999 -3.844 -2.989 1.00 1.00 H new ATOM 0 HD13 ILE A 41 7.621 -2.442 -3.891 1.00 1.00 H new ATOM 634 N ARG A 42 9.914 -2.649 1.642 1.00 1.00 N ATOM 635 CA ARG A 42 10.715 -3.628 2.370 1.00 1.00 C ATOM 636 C ARG A 42 9.840 -4.456 3.304 1.00 1.00 C ATOM 637 O ARG A 42 9.205 -3.920 4.212 1.00 1.00 O ATOM 638 CB ARG A 42 11.800 -2.915 3.181 1.00 1.00 C ATOM 639 CG ARG A 42 12.899 -3.911 3.557 1.00 1.00 C ATOM 640 CD ARG A 42 14.013 -3.183 4.312 1.00 1.00 C ATOM 641 NE ARG A 42 14.954 -2.589 3.370 1.00 1.00 N ATOM 642 CZ ARG A 42 15.951 -3.300 2.855 1.00 1.00 C ATOM 643 NH1 ARG A 42 16.105 -4.550 3.195 1.00 1.00 N ATOM 644 NH2 ARG A 42 16.778 -2.747 2.009 1.00 1.00 N ATOM 0 H ARG A 42 9.264 -2.117 2.220 1.00 1.00 H new ATOM 0 HA ARG A 42 11.181 -4.296 1.646 1.00 1.00 H new ATOM 0 HB2 ARG A 42 12.222 -2.095 2.600 1.00 1.00 H new ATOM 0 HB3 ARG A 42 11.367 -2.479 4.081 1.00 1.00 H new ATOM 0 HG2 ARG A 42 12.486 -4.707 4.176 1.00 1.00 H new ATOM 0 HG3 ARG A 42 13.301 -4.381 2.659 1.00 1.00 H new ATOM 0 HD2 ARG A 42 13.585 -2.408 4.948 1.00 1.00 H new ATOM 0 HD3 ARG A 42 14.534 -3.881 4.967 1.00 1.00 H new ATOM 0 HE ARG A 42 14.845 -1.611 3.102 1.00 1.00 H new ATOM 0 HH11 ARG A 42 15.460 -4.982 3.856 1.00 1.00 H new ATOM 0 HH12 ARG A 42 16.871 -5.096 2.799 1.00 1.00 H new ATOM 0 HH21 ARG A 42 16.658 -1.769 1.744 1.00 1.00 H new ATOM 0 HH22 ARG A 42 17.544 -3.293 1.613 1.00 1.00 H new ATOM 658 N LEU A 43 9.822 -5.766 3.084 1.00 1.00 N ATOM 659 CA LEU A 43 9.031 -6.657 3.924 1.00 1.00 C ATOM 660 C LEU A 43 9.902 -7.209 5.047 1.00 1.00 C ATOM 661 O LEU A 43 10.785 -8.035 4.813 1.00 1.00 O ATOM 662 CB LEU A 43 8.470 -7.808 3.080 1.00 1.00 C ATOM 663 CG LEU A 43 7.517 -8.665 3.920 1.00 1.00 C ATOM 664 CD1 LEU A 43 6.258 -8.974 3.108 1.00 1.00 C ATOM 665 CD2 LEU A 43 8.205 -9.978 4.295 1.00 1.00 C ATOM 0 H LEU A 43 10.341 -6.231 2.339 1.00 1.00 H new ATOM 0 HA LEU A 43 8.200 -6.100 4.357 1.00 1.00 H new ATOM 0 HB2 LEU A 43 7.944 -7.410 2.213 1.00 1.00 H new ATOM 0 HB3 LEU A 43 9.287 -8.423 2.702 1.00 1.00 H new ATOM 0 HG LEU A 43 7.247 -8.121 4.825 1.00 1.00 H new ATOM 0 HD11 LEU A 43 5.580 -9.584 3.706 1.00 1.00 H new ATOM 0 HD12 LEU A 43 5.763 -8.042 2.835 1.00 1.00 H new ATOM 0 HD13 LEU A 43 6.532 -9.517 2.204 1.00 1.00 H new ATOM 0 HD21 LEU A 43 7.526 -10.587 4.892 1.00 1.00 H new ATOM 0 HD22 LEU A 43 8.475 -10.519 3.388 1.00 1.00 H new ATOM 0 HD23 LEU A 43 9.105 -9.765 4.872 1.00 1.00 H new ATOM 677 N ILE A 44 9.658 -6.735 6.264 1.00 1.00 N ATOM 678 CA ILE A 44 10.439 -7.175 7.416 1.00 1.00 C ATOM 679 C ILE A 44 10.316 -8.682 7.624 1.00 1.00 C ATOM 680 O ILE A 44 9.242 -9.194 7.935 1.00 1.00 O ATOM 681 CB ILE A 44 9.971 -6.438 8.674 1.00 1.00 C ATOM 682 CG1 ILE A 44 10.661 -7.036 9.902 1.00 1.00 C ATOM 683 CG2 ILE A 44 8.454 -6.578 8.823 1.00 1.00 C ATOM 684 CD1 ILE A 44 10.992 -5.920 10.894 1.00 1.00 C ATOM 0 H ILE A 44 8.932 -6.052 6.478 1.00 1.00 H new ATOM 0 HA ILE A 44 11.486 -6.942 7.224 1.00 1.00 H new ATOM 0 HB ILE A 44 10.228 -5.382 8.588 1.00 1.00 H new ATOM 0 HG12 ILE A 44 10.013 -7.775 10.373 1.00 1.00 H new ATOM 0 HG13 ILE A 44 11.572 -7.555 9.604 1.00 1.00 H new ATOM 0 HG21 ILE A 44 8.126 -6.052 9.720 1.00 1.00 H new ATOM 0 HG22 ILE A 44 7.962 -6.149 7.950 1.00 1.00 H new ATOM 0 HG23 ILE A 44 8.192 -7.633 8.905 1.00 1.00 H new ATOM 0 HD11 ILE A 44 11.484 -6.345 11.769 1.00 1.00 H new ATOM 0 HD12 ILE A 44 11.656 -5.197 10.420 1.00 1.00 H new ATOM 0 HD13 ILE A 44 10.073 -5.421 11.201 1.00 1.00 H new ATOM 696 N LYS A 45 11.434 -9.384 7.453 1.00 1.00 N ATOM 697 CA LYS A 45 11.455 -10.832 7.630 1.00 1.00 C ATOM 698 C LYS A 45 12.112 -11.190 8.959 1.00 1.00 C ATOM 699 O LYS A 45 13.286 -10.899 9.182 1.00 1.00 O ATOM 700 CB LYS A 45 12.228 -11.488 6.482 1.00 1.00 C ATOM 701 CG LYS A 45 11.510 -12.769 6.043 1.00 1.00 C ATOM 702 CD LYS A 45 12.280 -13.421 4.893 1.00 1.00 C ATOM 703 CE LYS A 45 11.690 -12.963 3.557 1.00 1.00 C ATOM 704 NZ LYS A 45 12.696 -13.166 2.476 1.00 1.00 N ATOM 0 H LYS A 45 12.332 -8.976 7.194 1.00 1.00 H new ATOM 0 HA LYS A 45 10.429 -11.199 7.629 1.00 1.00 H new ATOM 0 HB2 LYS A 45 12.307 -10.798 5.642 1.00 1.00 H new ATOM 0 HB3 LYS A 45 13.244 -11.720 6.801 1.00 1.00 H new ATOM 0 HG2 LYS A 45 11.434 -13.461 6.882 1.00 1.00 H new ATOM 0 HG3 LYS A 45 10.493 -12.538 5.728 1.00 1.00 H new ATOM 0 HD2 LYS A 45 13.335 -13.151 4.948 1.00 1.00 H new ATOM 0 HD3 LYS A 45 12.224 -14.507 4.974 1.00 1.00 H new ATOM 0 HE2 LYS A 45 10.783 -13.526 3.335 1.00 1.00 H new ATOM 0 HE3 LYS A 45 11.407 -11.912 3.613 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 12.297 -12.855 1.567 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 13.549 -12.610 2.687 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 12.945 -14.174 2.418 1.00 1.00 H new ATOM 718 N ASP A 46 11.339 -11.809 9.845 1.00 1.00 N ATOM 719 CA ASP A 46 11.841 -12.189 11.154 1.00 1.00 C ATOM 720 C ASP A 46 12.256 -13.657 11.174 1.00 1.00 C ATOM 721 O ASP A 46 11.834 -14.444 10.329 1.00 1.00 O ATOM 722 CB ASP A 46 10.749 -11.954 12.190 1.00 1.00 C ATOM 723 CG ASP A 46 9.421 -11.675 11.495 1.00 1.00 C ATOM 724 OD1 ASP A 46 9.159 -10.519 11.205 1.00 1.00 O ATOM 725 OD2 ASP A 46 8.682 -12.619 11.271 1.00 1.00 O ATOM 0 H ASP A 46 10.364 -12.057 9.678 1.00 1.00 H new ATOM 0 HA ASP A 46 12.717 -11.583 11.385 1.00 1.00 H new ATOM 0 HB2 ASP A 46 10.655 -12.827 12.835 1.00 1.00 H new ATOM 0 HB3 ASP A 46 11.018 -11.113 12.829 1.00 1.00 H new ATOM 730 N LYS A 47 13.083 -14.016 12.152 1.00 1.00 N ATOM 731 CA LYS A 47 13.546 -15.392 12.282 1.00 1.00 C ATOM 732 C LYS A 47 12.568 -16.205 13.122 1.00 1.00 C ATOM 733 O LYS A 47 12.569 -17.435 13.079 1.00 1.00 O ATOM 734 CB LYS A 47 14.929 -15.419 12.935 1.00 1.00 C ATOM 735 CG LYS A 47 15.627 -16.740 12.603 1.00 1.00 C ATOM 736 CD LYS A 47 16.400 -16.595 11.290 1.00 1.00 C ATOM 737 CE LYS A 47 17.812 -16.085 11.584 1.00 1.00 C ATOM 738 NZ LYS A 47 18.554 -15.912 10.304 1.00 1.00 N ATOM 0 H LYS A 47 13.444 -13.377 12.861 1.00 1.00 H new ATOM 0 HA LYS A 47 13.608 -15.832 11.287 1.00 1.00 H new ATOM 0 HB2 LYS A 47 15.527 -14.580 12.579 1.00 1.00 H new ATOM 0 HB3 LYS A 47 14.835 -15.307 14.015 1.00 1.00 H new ATOM 0 HG2 LYS A 47 16.307 -17.016 13.409 1.00 1.00 H new ATOM 0 HG3 LYS A 47 14.892 -17.540 12.518 1.00 1.00 H new ATOM 0 HD2 LYS A 47 16.448 -17.555 10.776 1.00 1.00 H new ATOM 0 HD3 LYS A 47 15.883 -15.903 10.625 1.00 1.00 H new ATOM 0 HE2 LYS A 47 17.764 -15.137 12.120 1.00 1.00 H new ATOM 0 HE3 LYS A 47 18.338 -16.789 12.229 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 19.514 -15.565 10.503 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 18.611 -16.825 9.810 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 18.055 -15.224 9.704 1.00 1.00 H new ATOM 752 N GLN A 48 11.731 -15.506 13.887 1.00 1.00 N ATOM 753 CA GLN A 48 10.749 -16.173 14.734 1.00 1.00 C ATOM 754 C GLN A 48 9.739 -16.932 13.880 1.00 1.00 C ATOM 755 O GLN A 48 9.578 -18.144 14.022 1.00 1.00 O ATOM 756 CB GLN A 48 10.025 -15.142 15.604 1.00 1.00 C ATOM 757 CG GLN A 48 9.123 -15.857 16.612 1.00 1.00 C ATOM 758 CD GLN A 48 9.538 -15.496 18.034 1.00 1.00 C ATOM 759 OE1 GLN A 48 10.249 -16.260 18.687 1.00 1.00 O ATOM 760 NE2 GLN A 48 9.128 -14.373 18.556 1.00 1.00 N ATOM 0 H GLN A 48 11.714 -14.487 13.937 1.00 1.00 H new ATOM 0 HA GLN A 48 11.268 -16.884 15.377 1.00 1.00 H new ATOM 0 HB2 GLN A 48 10.751 -14.521 16.128 1.00 1.00 H new ATOM 0 HB3 GLN A 48 9.430 -14.477 14.977 1.00 1.00 H new ATOM 0 HG2 GLN A 48 8.083 -15.575 16.446 1.00 1.00 H new ATOM 0 HG3 GLN A 48 9.188 -16.936 16.469 1.00 1.00 H new ATOM 0 HE21 GLN A 48 8.539 -13.743 18.012 1.00 1.00 H new ATOM 0 HE22 GLN A 48 9.396 -14.125 19.508 1.00 1.00 H new ATOM 769 N THR A 49 9.065 -16.213 12.985 1.00 1.00 N ATOM 770 CA THR A 49 8.081 -16.836 12.106 1.00 1.00 C ATOM 771 C THR A 49 8.731 -17.216 10.778 1.00 1.00 C ATOM 772 O THR A 49 8.112 -17.865 9.933 1.00 1.00 O ATOM 773 CB THR A 49 6.907 -15.878 11.863 1.00 1.00 C ATOM 774 OG1 THR A 49 7.329 -14.544 12.105 1.00 1.00 O ATOM 775 CG2 THR A 49 5.752 -16.228 12.802 1.00 1.00 C ATOM 0 H THR A 49 9.181 -15.209 12.851 1.00 1.00 H new ATOM 0 HA THR A 49 7.704 -17.739 12.585 1.00 1.00 H new ATOM 0 HB THR A 49 6.571 -15.973 10.830 1.00 1.00 H new ATOM 0 HG1 THR A 49 7.941 -14.260 11.394 1.00 1.00 H new ATOM 0 HG21 THR A 49 4.921 -15.545 12.626 1.00 1.00 H new ATOM 0 HG22 THR A 49 5.427 -17.251 12.614 1.00 1.00 H new ATOM 0 HG23 THR A 49 6.084 -16.137 13.836 1.00 1.00 H new ATOM 783 N GLN A 50 9.991 -16.818 10.610 1.00 1.00 N ATOM 784 CA GLN A 50 10.734 -17.126 9.391 1.00 1.00 C ATOM 785 C GLN A 50 10.074 -16.493 8.169 1.00 1.00 C ATOM 786 O GLN A 50 10.282 -16.943 7.042 1.00 1.00 O ATOM 787 CB GLN A 50 10.811 -18.642 9.201 1.00 1.00 C ATOM 788 CG GLN A 50 12.245 -19.044 8.848 1.00 1.00 C ATOM 789 CD GLN A 50 13.156 -18.848 10.055 1.00 1.00 C ATOM 790 OE1 GLN A 50 14.313 -18.455 9.904 1.00 1.00 O ATOM 791 NE2 GLN A 50 12.700 -19.097 11.254 1.00 1.00 N ATOM 0 H GLN A 50 10.517 -16.283 11.301 1.00 1.00 H new ATOM 0 HA GLN A 50 11.738 -16.714 9.493 1.00 1.00 H new ATOM 0 HB2 GLN A 50 10.494 -19.149 10.112 1.00 1.00 H new ATOM 0 HB3 GLN A 50 10.130 -18.954 8.409 1.00 1.00 H new ATOM 0 HG2 GLN A 50 12.271 -20.086 8.528 1.00 1.00 H new ATOM 0 HG3 GLN A 50 12.603 -18.445 8.011 1.00 1.00 H new ATOM 0 HE21 GLN A 50 11.741 -19.423 11.378 1.00 1.00 H new ATOM 0 HE22 GLN A 50 13.303 -18.966 12.066 1.00 1.00 H new ATOM 800 N GLN A 51 9.287 -15.448 8.399 1.00 1.00 N ATOM 801 CA GLN A 51 8.600 -14.755 7.310 1.00 1.00 C ATOM 802 C GLN A 51 7.834 -13.545 7.846 1.00 1.00 C ATOM 803 O GLN A 51 7.835 -13.287 9.048 1.00 1.00 O ATOM 804 CB GLN A 51 7.628 -15.708 6.600 1.00 1.00 C ATOM 805 CG GLN A 51 6.613 -16.254 7.605 1.00 1.00 C ATOM 806 CD GLN A 51 6.229 -17.682 7.233 1.00 1.00 C ATOM 807 OE1 GLN A 51 6.386 -18.089 6.082 1.00 1.00 O ATOM 808 NE2 GLN A 51 5.721 -18.468 8.142 1.00 1.00 N ATOM 0 H GLN A 51 9.108 -15.061 9.326 1.00 1.00 H new ATOM 0 HA GLN A 51 9.349 -14.413 6.596 1.00 1.00 H new ATOM 0 HB2 GLN A 51 7.112 -15.183 5.796 1.00 1.00 H new ATOM 0 HB3 GLN A 51 8.179 -16.530 6.142 1.00 1.00 H new ATOM 0 HG2 GLN A 51 7.035 -16.232 8.610 1.00 1.00 H new ATOM 0 HG3 GLN A 51 5.725 -15.621 7.618 1.00 1.00 H new ATOM 0 HE21 GLN A 51 5.592 -18.129 9.095 1.00 1.00 H new ATOM 0 HE22 GLN A 51 5.453 -19.422 7.899 1.00 1.00 H new ATOM 817 N ASN A 52 7.190 -12.812 6.938 1.00 1.00 N ATOM 818 CA ASN A 52 6.421 -11.624 7.308 1.00 1.00 C ATOM 819 C ASN A 52 5.762 -11.779 8.678 1.00 1.00 C ATOM 820 O ASN A 52 5.094 -12.779 8.946 1.00 1.00 O ATOM 821 CB ASN A 52 5.338 -11.367 6.258 1.00 1.00 C ATOM 822 CG ASN A 52 4.069 -12.132 6.624 1.00 1.00 C ATOM 823 OD1 ASN A 52 3.217 -11.614 7.344 1.00 1.00 O ATOM 824 ND2 ASN A 52 3.899 -13.344 6.172 1.00 1.00 N ATOM 0 H ASN A 52 7.186 -13.020 5.940 1.00 1.00 H new ATOM 0 HA ASN A 52 7.113 -10.783 7.356 1.00 1.00 H new ATOM 0 HB2 ASN A 52 5.125 -10.300 6.196 1.00 1.00 H new ATOM 0 HB3 ASN A 52 5.691 -11.679 5.275 1.00 1.00 H new ATOM 0 HD21 ASN A 52 3.057 -13.866 6.415 1.00 1.00 H new ATOM 0 HD22 ASN A 52 4.608 -13.770 5.575 1.00 1.00 H new ATOM 831 N ARG A 53 5.945 -10.778 9.536 1.00 1.00 N ATOM 832 CA ARG A 53 5.354 -10.810 10.870 1.00 1.00 C ATOM 833 C ARG A 53 3.875 -10.436 10.804 1.00 1.00 C ATOM 834 O ARG A 53 3.294 -9.980 11.788 1.00 1.00 O ATOM 835 CB ARG A 53 6.084 -9.833 11.795 1.00 1.00 C ATOM 836 CG ARG A 53 6.517 -10.561 13.069 1.00 1.00 C ATOM 837 CD ARG A 53 7.218 -9.577 14.007 1.00 1.00 C ATOM 838 NE ARG A 53 6.240 -8.910 14.860 1.00 1.00 N ATOM 839 CZ ARG A 53 6.488 -7.718 15.390 1.00 1.00 C ATOM 840 NH1 ARG A 53 7.626 -7.122 15.153 1.00 1.00 N ATOM 841 NH2 ARG A 53 5.596 -7.142 16.148 1.00 1.00 N ATOM 0 H ARG A 53 6.493 -9.942 9.333 1.00 1.00 H new ATOM 0 HA ARG A 53 5.451 -11.821 11.264 1.00 1.00 H new ATOM 0 HB2 ARG A 53 6.955 -9.417 11.288 1.00 1.00 H new ATOM 0 HB3 ARG A 53 5.431 -8.997 12.046 1.00 1.00 H new ATOM 0 HG2 ARG A 53 5.649 -10.996 13.564 1.00 1.00 H new ATOM 0 HG3 ARG A 53 7.188 -11.383 12.820 1.00 1.00 H new ATOM 0 HD2 ARG A 53 7.947 -10.105 14.621 1.00 1.00 H new ATOM 0 HD3 ARG A 53 7.768 -8.838 13.425 1.00 1.00 H new ATOM 0 HE ARG A 53 5.349 -9.368 15.053 1.00 1.00 H new ATOM 0 HH11 ARG A 53 8.324 -7.572 14.561 1.00 1.00 H new ATOM 0 HH12 ARG A 53 7.817 -6.206 15.560 1.00 1.00 H new ATOM 0 HH21 ARG A 53 4.708 -7.607 16.334 1.00 1.00 H new ATOM 0 HH22 ARG A 53 5.787 -6.226 16.555 1.00 1.00 H new ATOM 855 N GLY A 54 3.271 -10.639 9.637 1.00 1.00 N ATOM 856 CA GLY A 54 1.856 -10.322 9.453 1.00 1.00 C ATOM 857 C GLY A 54 1.656 -8.916 8.882 1.00 1.00 C ATOM 858 O GLY A 54 0.523 -8.464 8.716 1.00 1.00 O ATOM 0 H GLY A 54 3.733 -11.018 8.810 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.404 -11.054 8.783 1.00 1.00 H new ATOM 0 HA3 GLY A 54 1.339 -10.403 10.409 1.00 1.00 H new ATOM 862 N PHE A 55 2.754 -8.225 8.578 1.00 1.00 N ATOM 863 CA PHE A 55 2.671 -6.873 8.023 1.00 1.00 C ATOM 864 C PHE A 55 3.901 -6.561 7.172 1.00 1.00 C ATOM 865 O PHE A 55 4.899 -7.281 7.213 1.00 1.00 O ATOM 866 CB PHE A 55 2.551 -5.840 9.147 1.00 1.00 C ATOM 867 CG PHE A 55 2.261 -6.534 10.453 1.00 1.00 C ATOM 868 CD1 PHE A 55 0.944 -6.860 10.799 1.00 1.00 C ATOM 869 CD2 PHE A 55 3.311 -6.851 11.324 1.00 1.00 C ATOM 870 CE1 PHE A 55 0.677 -7.500 12.016 1.00 1.00 C ATOM 871 CE2 PHE A 55 3.044 -7.490 12.539 1.00 1.00 C ATOM 872 CZ PHE A 55 1.727 -7.815 12.886 1.00 1.00 C ATOM 0 H PHE A 55 3.704 -8.574 8.705 1.00 1.00 H new ATOM 0 HA PHE A 55 1.783 -6.822 7.393 1.00 1.00 H new ATOM 0 HB2 PHE A 55 3.475 -5.268 9.227 1.00 1.00 H new ATOM 0 HB3 PHE A 55 1.756 -5.131 8.918 1.00 1.00 H new ATOM 0 HD1 PHE A 55 0.134 -6.618 10.127 1.00 1.00 H new ATOM 0 HD2 PHE A 55 4.327 -6.602 11.057 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -0.339 -7.750 12.283 1.00 1.00 H new ATOM 0 HE2 PHE A 55 3.854 -7.733 13.210 1.00 1.00 H new ATOM 0 HZ PHE A 55 1.522 -8.308 13.824 1.00 1.00 H new ATOM 882 N ALA A 56 3.815 -5.481 6.399 1.00 1.00 N ATOM 883 CA ALA A 56 4.917 -5.068 5.534 1.00 1.00 C ATOM 884 C ALA A 56 4.805 -3.580 5.216 1.00 1.00 C ATOM 885 O ALA A 56 3.705 -3.058 5.029 1.00 1.00 O ATOM 886 CB ALA A 56 4.887 -5.873 4.235 1.00 1.00 C ATOM 0 H ALA A 56 2.995 -4.877 6.354 1.00 1.00 H new ATOM 0 HA ALA A 56 5.858 -5.252 6.052 1.00 1.00 H new ATOM 0 HB1 ALA A 56 5.711 -5.560 3.594 1.00 1.00 H new ATOM 0 HB2 ALA A 56 4.986 -6.934 4.462 1.00 1.00 H new ATOM 0 HB3 ALA A 56 3.942 -5.699 3.721 1.00 1.00 H new ATOM 892 N PHE A 57 5.943 -2.901 5.160 1.00 1.00 N ATOM 893 CA PHE A 57 5.953 -1.472 4.867 1.00 1.00 C ATOM 894 C PHE A 57 6.053 -1.231 3.364 1.00 1.00 C ATOM 895 O PHE A 57 6.774 -1.935 2.658 1.00 1.00 O ATOM 896 CB PHE A 57 7.135 -0.802 5.572 1.00 1.00 C ATOM 897 CG PHE A 57 6.734 -0.428 6.982 1.00 1.00 C ATOM 898 CD1 PHE A 57 6.240 -1.407 7.850 1.00 1.00 C ATOM 899 CD2 PHE A 57 6.854 0.898 7.417 1.00 1.00 C ATOM 900 CE1 PHE A 57 5.868 -1.063 9.156 1.00 1.00 C ATOM 901 CE2 PHE A 57 6.483 1.242 8.722 1.00 1.00 C ATOM 902 CZ PHE A 57 5.990 0.262 9.591 1.00 1.00 C ATOM 0 H PHE A 57 6.864 -3.311 5.312 1.00 1.00 H new ATOM 0 HA PHE A 57 5.020 -1.041 5.231 1.00 1.00 H new ATOM 0 HB2 PHE A 57 7.990 -1.477 5.593 1.00 1.00 H new ATOM 0 HB3 PHE A 57 7.444 0.087 5.022 1.00 1.00 H new ATOM 0 HD1 PHE A 57 6.145 -2.429 7.513 1.00 1.00 H new ATOM 0 HD2 PHE A 57 7.233 1.655 6.746 1.00 1.00 H new ATOM 0 HE1 PHE A 57 5.487 -1.819 9.827 1.00 1.00 H new ATOM 0 HE2 PHE A 57 6.577 2.264 9.058 1.00 1.00 H new ATOM 0 HZ PHE A 57 5.704 0.528 10.598 1.00 1.00 H new ATOM 912 N VAL A 58 5.320 -0.231 2.884 1.00 1.00 N ATOM 913 CA VAL A 58 5.329 0.096 1.463 1.00 1.00 C ATOM 914 C VAL A 58 5.262 1.608 1.266 1.00 1.00 C ATOM 915 O VAL A 58 4.387 2.274 1.819 1.00 1.00 O ATOM 916 CB VAL A 58 4.139 -0.574 0.768 1.00 1.00 C ATOM 917 CG1 VAL A 58 3.740 0.220 -0.478 1.00 1.00 C ATOM 918 CG2 VAL A 58 4.533 -1.991 0.358 1.00 1.00 C ATOM 0 H VAL A 58 4.717 0.363 3.453 1.00 1.00 H new ATOM 0 HA VAL A 58 6.256 -0.273 1.024 1.00 1.00 H new ATOM 0 HB VAL A 58 3.294 -0.605 1.455 1.00 1.00 H new ATOM 0 HG11 VAL A 58 2.893 -0.266 -0.963 1.00 1.00 H new ATOM 0 HG12 VAL A 58 3.460 1.233 -0.190 1.00 1.00 H new ATOM 0 HG13 VAL A 58 4.582 0.259 -1.170 1.00 1.00 H new ATOM 0 HG21 VAL A 58 3.691 -2.474 -0.137 1.00 1.00 H new ATOM 0 HG22 VAL A 58 5.381 -1.949 -0.326 1.00 1.00 H new ATOM 0 HG23 VAL A 58 4.809 -2.563 1.244 1.00 1.00 H new ATOM 928 N GLN A 59 6.188 2.140 0.470 1.00 1.00 N ATOM 929 CA GLN A 59 6.226 3.576 0.201 1.00 1.00 C ATOM 930 C GLN A 59 5.947 3.848 -1.273 1.00 1.00 C ATOM 931 O GLN A 59 6.267 3.030 -2.135 1.00 1.00 O ATOM 932 CB GLN A 59 7.589 4.152 0.587 1.00 1.00 C ATOM 933 CG GLN A 59 7.708 5.585 0.061 1.00 1.00 C ATOM 934 CD GLN A 59 8.846 6.307 0.773 1.00 1.00 C ATOM 935 OE1 GLN A 59 8.639 7.369 1.359 1.00 1.00 O ATOM 936 NE2 GLN A 59 10.043 5.789 0.759 1.00 1.00 N ATOM 0 H GLN A 59 6.918 1.602 0.003 1.00 1.00 H new ATOM 0 HA GLN A 59 5.455 4.059 0.801 1.00 1.00 H new ATOM 0 HB2 GLN A 59 7.706 4.141 1.671 1.00 1.00 H new ATOM 0 HB3 GLN A 59 8.386 3.535 0.174 1.00 1.00 H new ATOM 0 HG2 GLN A 59 7.889 5.573 -1.014 1.00 1.00 H new ATOM 0 HG3 GLN A 59 6.771 6.119 0.220 1.00 1.00 H new ATOM 0 HE21 GLN A 59 10.212 4.909 0.273 1.00 1.00 H new ATOM 0 HE22 GLN A 59 10.810 6.264 1.235 1.00 1.00 H new ATOM 945 N LEU A 60 5.347 5.002 -1.552 1.00 1.00 N ATOM 946 CA LEU A 60 5.025 5.375 -2.928 1.00 1.00 C ATOM 947 C LEU A 60 5.965 6.479 -3.408 1.00 1.00 C ATOM 948 O LEU A 60 6.676 7.090 -2.610 1.00 1.00 O ATOM 949 CB LEU A 60 3.570 5.863 -3.018 1.00 1.00 C ATOM 950 CG LEU A 60 2.607 4.696 -3.299 1.00 1.00 C ATOM 951 CD1 LEU A 60 2.883 4.097 -4.683 1.00 1.00 C ATOM 952 CD2 LEU A 60 2.767 3.608 -2.235 1.00 1.00 C ATOM 0 H LEU A 60 5.075 5.691 -0.850 1.00 1.00 H new ATOM 0 HA LEU A 60 5.149 4.498 -3.563 1.00 1.00 H new ATOM 0 HB2 LEU A 60 3.290 6.352 -2.085 1.00 1.00 H new ATOM 0 HB3 LEU A 60 3.482 6.609 -3.808 1.00 1.00 H new ATOM 0 HG LEU A 60 1.587 5.081 -3.271 1.00 1.00 H new ATOM 0 HD11 LEU A 60 2.194 3.273 -4.867 1.00 1.00 H new ATOM 0 HD12 LEU A 60 2.744 4.863 -5.445 1.00 1.00 H new ATOM 0 HD13 LEU A 60 3.908 3.728 -4.722 1.00 1.00 H new ATOM 0 HD21 LEU A 60 2.080 2.789 -2.446 1.00 1.00 H new ATOM 0 HD22 LEU A 60 3.791 3.235 -2.247 1.00 1.00 H new ATOM 0 HD23 LEU A 60 2.544 4.024 -1.253 1.00 1.00 H new ATOM 964 N SER A 61 5.970 6.724 -4.715 1.00 1.00 N ATOM 965 CA SER A 61 6.836 7.749 -5.290 1.00 1.00 C ATOM 966 C SER A 61 6.550 9.121 -4.682 1.00 1.00 C ATOM 967 O SER A 61 7.464 9.914 -4.464 1.00 1.00 O ATOM 968 CB SER A 61 6.636 7.811 -6.804 1.00 1.00 C ATOM 969 OG SER A 61 6.685 6.495 -7.338 1.00 1.00 O ATOM 0 H SER A 61 5.388 6.231 -5.392 1.00 1.00 H new ATOM 0 HA SER A 61 7.868 7.481 -5.065 1.00 1.00 H new ATOM 0 HB2 SER A 61 5.678 8.275 -7.037 1.00 1.00 H new ATOM 0 HB3 SER A 61 7.409 8.430 -7.260 1.00 1.00 H new ATOM 0 HG SER A 61 6.555 6.531 -8.309 1.00 1.00 H new ATOM 975 N SER A 62 5.278 9.392 -4.418 1.00 1.00 N ATOM 976 CA SER A 62 4.884 10.673 -3.841 1.00 1.00 C ATOM 977 C SER A 62 3.852 10.474 -2.736 1.00 1.00 C ATOM 978 O SER A 62 3.364 9.365 -2.521 1.00 1.00 O ATOM 979 CB SER A 62 4.301 11.576 -4.929 1.00 1.00 C ATOM 980 OG SER A 62 5.266 11.761 -5.954 1.00 1.00 O ATOM 0 H SER A 62 4.506 8.748 -4.592 1.00 1.00 H new ATOM 0 HA SER A 62 5.769 11.143 -3.412 1.00 1.00 H new ATOM 0 HB2 SER A 62 3.396 11.129 -5.342 1.00 1.00 H new ATOM 0 HB3 SER A 62 4.016 12.539 -4.504 1.00 1.00 H new ATOM 0 HG SER A 62 4.894 12.338 -6.653 1.00 1.00 H new ATOM 986 N ALA A 63 3.528 11.559 -2.037 1.00 1.00 N ATOM 987 CA ALA A 63 2.555 11.496 -0.952 1.00 1.00 C ATOM 988 C ALA A 63 1.137 11.401 -1.506 1.00 1.00 C ATOM 989 O ALA A 63 0.249 10.832 -0.871 1.00 1.00 O ATOM 990 CB ALA A 63 2.679 12.737 -0.069 1.00 1.00 C ATOM 0 H ALA A 63 3.922 12.485 -2.201 1.00 1.00 H new ATOM 0 HA ALA A 63 2.759 10.605 -0.358 1.00 1.00 H new ATOM 0 HB1 ALA A 63 1.949 12.683 0.739 1.00 1.00 H new ATOM 0 HB2 ALA A 63 3.683 12.785 0.352 1.00 1.00 H new ATOM 0 HB3 ALA A 63 2.493 13.629 -0.667 1.00 1.00 H new ATOM 996 N MET A 64 0.930 11.963 -2.692 1.00 1.00 N ATOM 997 CA MET A 64 -0.386 11.937 -3.320 1.00 1.00 C ATOM 998 C MET A 64 -0.664 10.566 -3.928 1.00 1.00 C ATOM 999 O MET A 64 -1.818 10.198 -4.149 1.00 1.00 O ATOM 1000 CB MET A 64 -0.468 13.006 -4.410 1.00 1.00 C ATOM 1001 CG MET A 64 0.880 13.112 -5.125 1.00 1.00 C ATOM 1002 SD MET A 64 0.674 14.033 -6.668 1.00 1.00 S ATOM 1003 CE MET A 64 2.393 14.576 -6.838 1.00 1.00 C ATOM 0 H MET A 64 1.651 12.439 -3.235 1.00 1.00 H new ATOM 0 HA MET A 64 -1.135 12.141 -2.555 1.00 1.00 H new ATOM 0 HB2 MET A 64 -1.251 12.752 -5.124 1.00 1.00 H new ATOM 0 HB3 MET A 64 -0.735 13.967 -3.972 1.00 1.00 H new ATOM 0 HG2 MET A 64 1.605 13.613 -4.484 1.00 1.00 H new ATOM 0 HG3 MET A 64 1.273 12.117 -5.333 1.00 1.00 H new ATOM 0 HE1 MET A 64 2.498 15.174 -7.743 1.00 1.00 H new ATOM 0 HE2 MET A 64 2.672 15.177 -5.972 1.00 1.00 H new ATOM 0 HE3 MET A 64 3.045 13.705 -6.901 1.00 1.00 H new ATOM 1013 N ASP A 65 0.400 9.816 -4.198 1.00 1.00 N ATOM 1014 CA ASP A 65 0.256 8.487 -4.782 1.00 1.00 C ATOM 1015 C ASP A 65 -0.206 7.483 -3.730 1.00 1.00 C ATOM 1016 O ASP A 65 -0.719 6.415 -4.063 1.00 1.00 O ATOM 1017 CB ASP A 65 1.591 8.030 -5.374 1.00 1.00 C ATOM 1018 CG ASP A 65 1.721 8.528 -6.809 1.00 1.00 C ATOM 1019 OD1 ASP A 65 1.024 9.467 -7.156 1.00 1.00 O ATOM 1020 OD2 ASP A 65 2.515 7.960 -7.543 1.00 1.00 O ATOM 0 H ASP A 65 1.363 10.102 -4.024 1.00 1.00 H new ATOM 0 HA ASP A 65 -0.494 8.538 -5.571 1.00 1.00 H new ATOM 0 HB2 ASP A 65 2.415 8.412 -4.772 1.00 1.00 H new ATOM 0 HB3 ASP A 65 1.656 6.942 -5.350 1.00 1.00 H new ATOM 1025 N ALA A 66 -0.024 7.834 -2.462 1.00 1.00 N ATOM 1026 CA ALA A 66 -0.429 6.955 -1.372 1.00 1.00 C ATOM 1027 C ALA A 66 -1.949 6.921 -1.247 1.00 1.00 C ATOM 1028 O ALA A 66 -2.560 5.853 -1.275 1.00 1.00 O ATOM 1029 CB ALA A 66 0.183 7.434 -0.055 1.00 1.00 C ATOM 0 H ALA A 66 0.398 8.714 -2.165 1.00 1.00 H new ATOM 0 HA ALA A 66 -0.071 5.949 -1.592 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -0.126 6.770 0.752 1.00 1.00 H new ATOM 0 HB2 ALA A 66 1.270 7.427 -0.135 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -0.158 8.447 0.158 1.00 1.00 H new ATOM 1035 N SER A 67 -2.551 8.098 -1.109 1.00 1.00 N ATOM 1036 CA SER A 67 -4.001 8.189 -0.984 1.00 1.00 C ATOM 1037 C SER A 67 -4.680 7.664 -2.245 1.00 1.00 C ATOM 1038 O SER A 67 -5.734 7.031 -2.177 1.00 1.00 O ATOM 1039 CB SER A 67 -4.414 9.642 -0.747 1.00 1.00 C ATOM 1040 OG SER A 67 -3.262 10.410 -0.421 1.00 1.00 O ATOM 0 H SER A 67 -2.063 8.993 -1.081 1.00 1.00 H new ATOM 0 HA SER A 67 -4.314 7.580 -0.136 1.00 1.00 H new ATOM 0 HB2 SER A 67 -4.894 10.046 -1.638 1.00 1.00 H new ATOM 0 HB3 SER A 67 -5.143 9.698 0.061 1.00 1.00 H new ATOM 0 HG SER A 67 -3.523 11.343 -0.270 1.00 1.00 H new ATOM 1046 N GLN A 68 -4.068 7.932 -3.393 1.00 1.00 N ATOM 1047 CA GLN A 68 -4.617 7.485 -4.664 1.00 1.00 C ATOM 1048 C GLN A 68 -4.735 5.965 -4.693 1.00 1.00 C ATOM 1049 O GLN A 68 -5.810 5.423 -4.945 1.00 1.00 O ATOM 1050 CB GLN A 68 -3.716 7.950 -5.808 1.00 1.00 C ATOM 1051 CG GLN A 68 -4.519 8.826 -6.770 1.00 1.00 C ATOM 1052 CD GLN A 68 -3.682 9.158 -8.000 1.00 1.00 C ATOM 1053 OE1 GLN A 68 -2.472 8.679 -8.105 1.00 1.00 O flip ATOM 1054 NE2 GLN A 68 -4.141 9.877 -8.888 1.00 1.00 N flip ATOM 0 H GLN A 68 -3.195 8.454 -3.468 1.00 1.00 H new ATOM 0 HA GLN A 68 -5.611 7.916 -4.783 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.868 8.509 -5.412 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -3.310 7.088 -6.338 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -5.431 8.309 -7.070 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.824 9.745 -6.269 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -5.087 10.250 -8.804 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -3.576 10.099 -9.707 1.00 1.00 H new ATOM 1063 N LEU A 69 -3.624 5.284 -4.432 1.00 1.00 N ATOM 1064 CA LEU A 69 -3.618 3.825 -4.432 1.00 1.00 C ATOM 1065 C LEU A 69 -4.574 3.292 -3.371 1.00 1.00 C ATOM 1066 O LEU A 69 -5.052 2.161 -3.460 1.00 1.00 O ATOM 1067 CB LEU A 69 -2.203 3.303 -4.155 1.00 1.00 C ATOM 1068 CG LEU A 69 -1.915 2.078 -5.028 1.00 1.00 C ATOM 1069 CD1 LEU A 69 -0.486 1.596 -4.770 1.00 1.00 C ATOM 1070 CD2 LEU A 69 -2.896 0.956 -4.682 1.00 1.00 C ATOM 0 H LEU A 69 -2.724 5.714 -4.220 1.00 1.00 H new ATOM 0 HA LEU A 69 -3.944 3.478 -5.413 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -1.472 4.085 -4.359 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -2.103 3.041 -3.102 1.00 1.00 H new ATOM 0 HG LEU A 69 -2.029 2.348 -6.078 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -0.279 0.724 -5.390 1.00 1.00 H new ATOM 0 HD12 LEU A 69 0.217 2.392 -5.016 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -0.377 1.328 -3.719 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -2.688 0.086 -5.305 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -2.784 0.686 -3.632 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -3.916 1.296 -4.862 1.00 1.00 H new ATOM 1082 N LEU A 70 -4.853 4.116 -2.368 1.00 1.00 N ATOM 1083 CA LEU A 70 -5.759 3.712 -1.297 1.00 1.00 C ATOM 1084 C LEU A 70 -7.209 3.902 -1.730 1.00 1.00 C ATOM 1085 O LEU A 70 -8.071 3.084 -1.416 1.00 1.00 O ATOM 1086 CB LEU A 70 -5.483 4.533 -0.028 1.00 1.00 C ATOM 1087 CG LEU A 70 -5.010 3.621 1.115 1.00 1.00 C ATOM 1088 CD1 LEU A 70 -4.390 4.477 2.221 1.00 1.00 C ATOM 1089 CD2 LEU A 70 -6.198 2.848 1.692 1.00 1.00 C ATOM 0 H LEU A 70 -4.471 5.057 -2.273 1.00 1.00 H new ATOM 0 HA LEU A 70 -5.589 2.657 -1.081 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -4.725 5.288 -0.235 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -6.387 5.063 0.273 1.00 1.00 H new ATOM 0 HG LEU A 70 -4.273 2.917 0.728 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -4.053 3.833 3.034 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -3.540 5.030 1.820 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -5.134 5.179 2.598 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -5.854 2.204 2.501 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -6.937 3.551 2.076 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -6.650 2.238 0.910 1.00 1.00 H new ATOM 1101 N GLN A 71 -7.473 4.980 -2.461 1.00 1.00 N ATOM 1102 CA GLN A 71 -8.823 5.252 -2.932 1.00 1.00 C ATOM 1103 C GLN A 71 -9.107 4.456 -4.205 1.00 1.00 C ATOM 1104 O GLN A 71 -10.252 4.096 -4.482 1.00 1.00 O ATOM 1105 CB GLN A 71 -8.989 6.747 -3.207 1.00 1.00 C ATOM 1106 CG GLN A 71 -10.338 6.994 -3.883 1.00 1.00 C ATOM 1107 CD GLN A 71 -10.956 8.286 -3.360 1.00 1.00 C ATOM 1108 OE1 GLN A 71 -12.173 8.370 -3.198 1.00 1.00 O ATOM 1109 NE2 GLN A 71 -10.186 9.303 -3.082 1.00 1.00 N ATOM 0 H GLN A 71 -6.777 5.672 -2.737 1.00 1.00 H new ATOM 0 HA GLN A 71 -9.531 4.950 -2.161 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -8.929 7.308 -2.274 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -8.180 7.102 -3.845 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -10.207 7.056 -4.963 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -11.009 6.157 -3.691 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -9.178 9.231 -3.217 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -10.593 10.169 -2.730 1.00 1.00 H new ATOM 1118 N ILE A 72 -8.056 4.183 -4.970 1.00 1.00 N ATOM 1119 CA ILE A 72 -8.199 3.428 -6.209 1.00 1.00 C ATOM 1120 C ILE A 72 -8.421 1.949 -5.908 1.00 1.00 C ATOM 1121 O ILE A 72 -9.171 1.268 -6.608 1.00 1.00 O ATOM 1122 CB ILE A 72 -6.946 3.596 -7.071 1.00 1.00 C ATOM 1123 CG1 ILE A 72 -7.042 4.909 -7.853 1.00 1.00 C ATOM 1124 CG2 ILE A 72 -6.834 2.427 -8.052 1.00 1.00 C ATOM 1125 CD1 ILE A 72 -5.680 5.238 -8.468 1.00 1.00 C ATOM 0 H ILE A 72 -7.101 4.471 -4.756 1.00 1.00 H new ATOM 0 HA ILE A 72 -9.064 3.811 -6.751 1.00 1.00 H new ATOM 0 HB ILE A 72 -6.065 3.614 -6.430 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -7.795 4.824 -8.636 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -7.359 5.716 -7.192 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -5.941 2.550 -8.664 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -6.767 1.491 -7.497 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.714 2.406 -8.695 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -5.748 6.173 -9.025 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -4.938 5.341 -7.676 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.382 4.435 -9.142 1.00 1.00 H new ATOM 1137 N LEU A 73 -7.763 1.460 -4.863 1.00 1.00 N ATOM 1138 CA LEU A 73 -7.895 0.057 -4.481 1.00 1.00 C ATOM 1139 C LEU A 73 -9.149 -0.155 -3.633 1.00 1.00 C ATOM 1140 O LEU A 73 -9.797 -1.199 -3.722 1.00 1.00 O ATOM 1141 CB LEU A 73 -6.659 -0.390 -3.698 1.00 1.00 C ATOM 1142 CG LEU A 73 -6.587 -1.921 -3.676 1.00 1.00 C ATOM 1143 CD1 LEU A 73 -5.872 -2.429 -4.932 1.00 1.00 C ATOM 1144 CD2 LEU A 73 -5.808 -2.377 -2.441 1.00 1.00 C ATOM 0 H LEU A 73 -7.139 2.007 -4.270 1.00 1.00 H new ATOM 0 HA LEU A 73 -7.983 -0.541 -5.388 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -5.759 0.019 -4.156 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -6.702 -0.004 -2.680 1.00 1.00 H new ATOM 0 HG LEU A 73 -7.600 -2.323 -3.647 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -5.825 -3.518 -4.909 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -6.420 -2.108 -5.818 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -4.861 -2.023 -4.965 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -5.756 -3.466 -2.425 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.799 -1.966 -2.475 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -6.313 -2.024 -1.542 1.00 1.00 H new ATOM 1156 N GLN A 74 -9.491 0.837 -2.816 1.00 1.00 N ATOM 1157 CA GLN A 74 -10.678 0.736 -1.968 1.00 1.00 C ATOM 1158 C GLN A 74 -11.934 1.062 -2.771 1.00 1.00 C ATOM 1159 O GLN A 74 -13.052 0.819 -2.316 1.00 1.00 O ATOM 1160 CB GLN A 74 -10.580 1.694 -0.776 1.00 1.00 C ATOM 1161 CG GLN A 74 -9.458 1.248 0.162 1.00 1.00 C ATOM 1162 CD GLN A 74 -9.155 2.357 1.163 1.00 1.00 C ATOM 1163 OE1 GLN A 74 -9.015 3.517 0.777 1.00 1.00 O ATOM 1164 NE2 GLN A 74 -9.043 2.069 2.430 1.00 1.00 N ATOM 0 H GLN A 74 -8.972 1.710 -2.722 1.00 1.00 H new ATOM 0 HA GLN A 74 -10.737 -0.288 -1.598 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -10.389 2.708 -1.128 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -11.528 1.716 -0.238 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -9.750 0.339 0.688 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.563 1.009 -0.413 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -9.160 1.106 2.746 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -8.839 2.806 3.105 1.00 1.00 H new ATOM 1173 N SER A 75 -11.744 1.612 -3.967 1.00 1.00 N ATOM 1174 CA SER A 75 -12.871 1.966 -4.820 1.00 1.00 C ATOM 1175 C SER A 75 -13.567 0.705 -5.317 1.00 1.00 C ATOM 1176 O SER A 75 -14.768 0.708 -5.585 1.00 1.00 O ATOM 1177 CB SER A 75 -12.388 2.789 -6.013 1.00 1.00 C ATOM 1178 OG SER A 75 -12.713 4.158 -5.801 1.00 1.00 O ATOM 0 H SER A 75 -10.828 1.820 -4.364 1.00 1.00 H new ATOM 0 HA SER A 75 -13.577 2.559 -4.238 1.00 1.00 H new ATOM 0 HB2 SER A 75 -11.311 2.674 -6.137 1.00 1.00 H new ATOM 0 HB3 SER A 75 -12.855 2.430 -6.930 1.00 1.00 H new ATOM 0 HG SER A 75 -11.997 4.588 -5.288 1.00 1.00 H new ATOM 1184 N LEU A 76 -12.801 -0.372 -5.431 1.00 1.00 N ATOM 1185 CA LEU A 76 -13.348 -1.642 -5.889 1.00 1.00 C ATOM 1186 C LEU A 76 -14.171 -2.289 -4.782 1.00 1.00 C ATOM 1187 O LEU A 76 -13.776 -2.282 -3.615 1.00 1.00 O ATOM 1188 CB LEU A 76 -12.216 -2.586 -6.308 1.00 1.00 C ATOM 1189 CG LEU A 76 -11.363 -1.925 -7.394 1.00 1.00 C ATOM 1190 CD1 LEU A 76 -10.200 -2.849 -7.761 1.00 1.00 C ATOM 1191 CD2 LEU A 76 -12.215 -1.665 -8.640 1.00 1.00 C ATOM 0 H LEU A 76 -11.805 -0.392 -5.214 1.00 1.00 H new ATOM 0 HA LEU A 76 -13.991 -1.453 -6.749 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -11.596 -2.831 -5.445 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -12.631 -3.523 -6.679 1.00 1.00 H new ATOM 0 HG LEU A 76 -10.977 -0.978 -7.018 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -9.592 -2.379 -8.534 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -9.587 -3.031 -6.878 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -10.591 -3.796 -8.133 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -11.602 -1.195 -9.409 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -12.607 -2.610 -9.016 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -13.044 -1.005 -8.383 1.00 1.00 H new ATOM 1203 N HIS A 77 -15.318 -2.843 -5.152 1.00 1.00 N ATOM 1204 CA HIS A 77 -16.193 -3.487 -4.176 1.00 1.00 C ATOM 1205 C HIS A 77 -15.453 -4.589 -3.412 1.00 1.00 C ATOM 1206 O HIS A 77 -15.401 -4.556 -2.184 1.00 1.00 O ATOM 1207 CB HIS A 77 -17.437 -4.066 -4.858 1.00 1.00 C ATOM 1208 CG HIS A 77 -18.641 -3.257 -4.460 1.00 1.00 C ATOM 1209 ND1 HIS A 77 -19.679 -3.794 -3.716 1.00 1.00 N ATOM 1210 CD2 HIS A 77 -18.980 -1.946 -4.687 1.00 1.00 C ATOM 1211 CE1 HIS A 77 -20.587 -2.819 -3.524 1.00 1.00 C ATOM 1212 NE2 HIS A 77 -20.211 -1.672 -4.095 1.00 1.00 N ATOM 0 H HIS A 77 -15.664 -2.861 -6.111 1.00 1.00 H new ATOM 0 HA HIS A 77 -16.507 -2.725 -3.463 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -17.314 -4.049 -5.941 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -17.573 -5.108 -4.569 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -18.383 -1.236 -5.240 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -21.508 -2.949 -2.975 1.00 1.00 H new ATOM 0 HE2 HIS A 77 -20.716 -0.786 -4.097 1.00 1.00 H new ATOM 1220 N PRO A 78 -14.884 -5.555 -4.096 1.00 1.00 N ATOM 1221 CA PRO A 78 -14.142 -6.668 -3.432 1.00 1.00 C ATOM 1222 C PRO A 78 -12.757 -6.221 -2.933 1.00 1.00 C ATOM 1223 O PRO A 78 -11.891 -5.896 -3.745 1.00 1.00 O ATOM 1224 CB PRO A 78 -13.995 -7.711 -4.541 1.00 1.00 C ATOM 1225 CG PRO A 78 -14.017 -6.938 -5.816 1.00 1.00 C ATOM 1226 CD PRO A 78 -14.880 -5.700 -5.566 1.00 1.00 C ATOM 0 HA PRO A 78 -14.664 -7.038 -2.549 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -13.064 -8.268 -4.435 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -14.807 -8.437 -4.508 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -13.008 -6.652 -6.113 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -14.429 -7.540 -6.626 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -14.463 -4.818 -6.052 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -15.889 -5.832 -5.956 1.00 1.00 H new ATOM 1234 N PRO A 79 -12.518 -6.190 -1.636 1.00 1.00 N ATOM 1235 CA PRO A 79 -11.195 -5.768 -1.088 1.00 1.00 C ATOM 1236 C PRO A 79 -10.036 -6.472 -1.786 1.00 1.00 C ATOM 1237 O PRO A 79 -10.240 -7.246 -2.721 1.00 1.00 O ATOM 1238 CB PRO A 79 -11.258 -6.162 0.388 1.00 1.00 C ATOM 1239 CG PRO A 79 -12.709 -6.210 0.731 1.00 1.00 C ATOM 1240 CD PRO A 79 -13.461 -6.549 -0.557 1.00 1.00 C ATOM 0 HA PRO A 79 -11.017 -4.703 -1.237 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -10.784 -7.129 0.556 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -10.732 -5.437 1.010 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -12.900 -6.961 1.498 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -13.043 -5.253 1.132 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -13.727 -7.605 -0.596 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -14.390 -5.984 -0.636 1.00 1.00 H new ATOM 1248 N LEU A 80 -8.820 -6.205 -1.321 1.00 1.00 N ATOM 1249 CA LEU A 80 -7.642 -6.827 -1.908 1.00 1.00 C ATOM 1250 C LEU A 80 -7.556 -8.284 -1.474 1.00 1.00 C ATOM 1251 O LEU A 80 -7.668 -8.590 -0.288 1.00 1.00 O ATOM 1252 CB LEU A 80 -6.382 -6.076 -1.467 1.00 1.00 C ATOM 1253 CG LEU A 80 -5.155 -6.623 -2.206 1.00 1.00 C ATOM 1254 CD1 LEU A 80 -5.271 -6.341 -3.709 1.00 1.00 C ATOM 1255 CD2 LEU A 80 -3.896 -5.945 -1.663 1.00 1.00 C ATOM 0 H LEU A 80 -8.627 -5.569 -0.548 1.00 1.00 H new ATOM 0 HA LEU A 80 -7.720 -6.783 -2.994 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -6.494 -5.011 -1.671 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -6.245 -6.181 -0.391 1.00 1.00 H new ATOM 0 HG LEU A 80 -5.097 -7.700 -2.049 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -4.393 -6.735 -4.222 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.167 -6.822 -4.101 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -5.335 -5.265 -3.873 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -3.021 -6.331 -2.186 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -3.966 -4.869 -1.819 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.802 -6.152 -0.597 1.00 1.00 H new ATOM 1267 N LYS A 81 -7.368 -9.178 -2.439 1.00 1.00 N ATOM 1268 CA LYS A 81 -7.280 -10.605 -2.143 1.00 1.00 C ATOM 1269 C LYS A 81 -6.023 -11.210 -2.753 1.00 1.00 C ATOM 1270 O LYS A 81 -5.885 -11.289 -3.975 1.00 1.00 O ATOM 1271 CB LYS A 81 -8.517 -11.331 -2.687 1.00 1.00 C ATOM 1272 CG LYS A 81 -8.695 -12.680 -1.973 1.00 1.00 C ATOM 1273 CD LYS A 81 -7.545 -13.626 -2.326 1.00 1.00 C ATOM 1274 CE LYS A 81 -8.030 -15.071 -2.202 1.00 1.00 C ATOM 1275 NZ LYS A 81 -6.879 -15.958 -1.868 1.00 1.00 N ATOM 0 H LYS A 81 -7.274 -8.943 -3.427 1.00 1.00 H new ATOM 0 HA LYS A 81 -7.234 -10.726 -1.061 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -9.404 -10.714 -2.541 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -8.412 -11.490 -3.760 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -8.730 -12.526 -0.894 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -9.645 -13.129 -2.262 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -7.196 -13.432 -3.340 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -6.699 -13.455 -1.660 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -8.794 -15.144 -1.428 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -8.490 -15.392 -3.136 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -6.805 -16.713 -2.579 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -6.001 -15.400 -1.863 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -7.027 -16.380 -0.929 1.00 1.00 H new ATOM 1289 N ILE A 82 -5.116 -11.647 -1.887 1.00 1.00 N ATOM 1290 CA ILE A 82 -3.871 -12.260 -2.326 1.00 1.00 C ATOM 1291 C ILE A 82 -3.845 -13.721 -1.894 1.00 1.00 C ATOM 1292 O ILE A 82 -4.218 -14.037 -0.763 1.00 1.00 O ATOM 1293 CB ILE A 82 -2.682 -11.516 -1.714 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -2.769 -10.032 -2.083 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -1.373 -12.097 -2.250 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -1.684 -9.251 -1.338 1.00 1.00 C ATOM 0 H ILE A 82 -5.221 -11.587 -0.874 1.00 1.00 H new ATOM 0 HA ILE A 82 -3.803 -12.203 -3.412 1.00 1.00 H new ATOM 0 HB ILE A 82 -2.706 -11.628 -0.630 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -2.647 -9.907 -3.159 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -3.753 -9.641 -1.826 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -0.531 -11.563 -1.810 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -1.309 -13.153 -1.988 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -1.344 -11.990 -3.334 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -1.749 -8.196 -1.603 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -1.827 -9.365 -0.263 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -0.703 -9.635 -1.617 1.00 1.00 H new ATOM 1308 N ASP A 83 -3.422 -14.604 -2.802 1.00 1.00 N ATOM 1309 CA ASP A 83 -3.365 -16.037 -2.508 1.00 1.00 C ATOM 1310 C ASP A 83 -3.055 -16.283 -1.036 1.00 1.00 C ATOM 1311 O ASP A 83 -1.915 -16.132 -0.595 1.00 1.00 O ATOM 1312 CB ASP A 83 -2.292 -16.707 -3.370 1.00 1.00 C ATOM 1313 CG ASP A 83 -2.774 -16.817 -4.813 1.00 1.00 C ATOM 1314 OD1 ASP A 83 -3.942 -17.109 -5.007 1.00 1.00 O ATOM 1315 OD2 ASP A 83 -1.965 -16.612 -5.704 1.00 1.00 O ATOM 0 H ASP A 83 -3.116 -14.353 -3.742 1.00 1.00 H new ATOM 0 HA ASP A 83 -4.341 -16.465 -2.736 1.00 1.00 H new ATOM 0 HB2 ASP A 83 -1.369 -16.129 -3.330 1.00 1.00 H new ATOM 0 HB3 ASP A 83 -2.065 -17.698 -2.977 1.00 1.00 H new ATOM 1320 N GLY A 84 -4.082 -16.656 -0.280 1.00 1.00 N ATOM 1321 CA GLY A 84 -3.918 -16.915 1.145 1.00 1.00 C ATOM 1322 C GLY A 84 -5.148 -16.460 1.925 1.00 1.00 C ATOM 1323 O GLY A 84 -5.766 -17.250 2.640 1.00 1.00 O ATOM 0 H GLY A 84 -5.032 -16.785 -0.628 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -3.752 -17.980 1.309 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -3.035 -16.394 1.514 1.00 1.00 H new ATOM 1327 N LYS A 85 -5.496 -15.185 1.787 1.00 1.00 N ATOM 1328 CA LYS A 85 -6.653 -14.639 2.487 1.00 1.00 C ATOM 1329 C LYS A 85 -6.904 -13.191 2.075 1.00 1.00 C ATOM 1330 O LYS A 85 -6.184 -12.638 1.242 1.00 1.00 O ATOM 1331 CB LYS A 85 -6.427 -14.709 3.998 1.00 1.00 C ATOM 1332 CG LYS A 85 -4.947 -14.469 4.304 1.00 1.00 C ATOM 1333 CD LYS A 85 -4.812 -13.778 5.663 1.00 1.00 C ATOM 1334 CE LYS A 85 -3.372 -13.910 6.160 1.00 1.00 C ATOM 1335 NZ LYS A 85 -3.011 -12.707 6.964 1.00 1.00 N ATOM 0 H LYS A 85 -4.998 -14.515 1.201 1.00 1.00 H new ATOM 0 HA LYS A 85 -7.527 -15.233 2.219 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -7.040 -13.962 4.503 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -6.735 -15.683 4.378 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -4.408 -15.416 4.311 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -4.499 -13.853 3.525 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -5.083 -12.726 5.577 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -5.499 -14.226 6.381 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -3.266 -14.810 6.765 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -2.692 -14.013 5.314 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -2.228 -12.942 7.607 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -2.717 -11.939 6.327 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -3.835 -12.400 7.519 1.00 1.00 H new ATOM 1349 N THR A 86 -7.929 -12.583 2.664 1.00 1.00 N ATOM 1350 CA THR A 86 -8.271 -11.199 2.353 1.00 1.00 C ATOM 1351 C THR A 86 -7.190 -10.249 2.863 1.00 1.00 C ATOM 1352 O THR A 86 -6.614 -10.465 3.926 1.00 1.00 O ATOM 1353 CB THR A 86 -9.612 -10.836 2.993 1.00 1.00 C ATOM 1354 OG1 THR A 86 -10.096 -9.628 2.422 1.00 1.00 O ATOM 1355 CG2 THR A 86 -9.429 -10.654 4.500 1.00 1.00 C ATOM 0 H THR A 86 -8.535 -13.024 3.356 1.00 1.00 H new ATOM 0 HA THR A 86 -8.345 -11.099 1.270 1.00 1.00 H new ATOM 0 HB THR A 86 -10.329 -11.636 2.812 1.00 1.00 H new ATOM 0 HG1 THR A 86 -10.956 -9.395 2.830 1.00 1.00 H new ATOM 0 HG21 THR A 86 -10.386 -10.395 4.954 1.00 1.00 H new ATOM 0 HG22 THR A 86 -9.059 -11.582 4.936 1.00 1.00 H new ATOM 0 HG23 THR A 86 -8.711 -9.855 4.685 1.00 1.00 H new ATOM 1363 N ILE A 87 -6.921 -9.200 2.086 1.00 1.00 N ATOM 1364 CA ILE A 87 -5.905 -8.219 2.456 1.00 1.00 C ATOM 1365 C ILE A 87 -6.502 -6.814 2.517 1.00 1.00 C ATOM 1366 O ILE A 87 -7.326 -6.440 1.679 1.00 1.00 O ATOM 1367 CB ILE A 87 -4.767 -8.246 1.436 1.00 1.00 C ATOM 1368 CG1 ILE A 87 -4.063 -9.607 1.499 1.00 1.00 C ATOM 1369 CG2 ILE A 87 -3.772 -7.123 1.738 1.00 1.00 C ATOM 1370 CD1 ILE A 87 -2.933 -9.572 2.532 1.00 1.00 C ATOM 0 H ILE A 87 -7.391 -9.009 1.201 1.00 1.00 H new ATOM 0 HA ILE A 87 -5.522 -8.477 3.443 1.00 1.00 H new ATOM 0 HB ILE A 87 -5.170 -8.096 0.435 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -4.781 -10.384 1.761 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -3.661 -9.862 0.518 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -2.963 -7.147 1.008 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -4.282 -6.161 1.683 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -3.362 -7.260 2.739 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.442 -10.544 2.567 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.207 -8.808 2.252 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -3.345 -9.338 3.514 1.00 1.00 H new ATOM 1382 N GLY A 88 -6.077 -6.043 3.519 1.00 1.00 N ATOM 1383 CA GLY A 88 -6.568 -4.678 3.696 1.00 1.00 C ATOM 1384 C GLY A 88 -5.440 -3.662 3.534 1.00 1.00 C ATOM 1385 O GLY A 88 -4.269 -4.029 3.444 1.00 1.00 O ATOM 0 H GLY A 88 -5.396 -6.340 4.218 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -7.353 -4.473 2.968 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -7.015 -4.575 4.685 1.00 1.00 H new ATOM 1389 N VAL A 89 -5.807 -2.382 3.502 1.00 1.00 N ATOM 1390 CA VAL A 89 -4.824 -1.309 3.354 1.00 1.00 C ATOM 1391 C VAL A 89 -5.027 -0.249 4.432 1.00 1.00 C ATOM 1392 O VAL A 89 -6.159 0.095 4.772 1.00 1.00 O ATOM 1393 CB VAL A 89 -4.957 -0.666 1.974 1.00 1.00 C ATOM 1394 CG1 VAL A 89 -3.780 0.283 1.735 1.00 1.00 C ATOM 1395 CG2 VAL A 89 -4.952 -1.755 0.900 1.00 1.00 C ATOM 0 H VAL A 89 -6.773 -2.063 3.576 1.00 1.00 H new ATOM 0 HA VAL A 89 -3.827 -1.736 3.460 1.00 1.00 H new ATOM 0 HB VAL A 89 -5.892 -0.108 1.925 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -3.876 0.741 0.751 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.779 1.061 2.499 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -2.846 -0.276 1.786 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -5.047 -1.296 -0.084 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -4.017 -2.313 0.952 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -5.789 -2.434 1.066 1.00 1.00 H new ATOM 1405 N ASP A 90 -3.924 0.267 4.967 1.00 1.00 N ATOM 1406 CA ASP A 90 -3.998 1.290 6.004 1.00 1.00 C ATOM 1407 C ASP A 90 -2.913 2.344 5.802 1.00 1.00 C ATOM 1408 O ASP A 90 -1.948 2.122 5.070 1.00 1.00 O ATOM 1409 CB ASP A 90 -3.841 0.647 7.386 1.00 1.00 C ATOM 1410 CG ASP A 90 -2.833 1.433 8.219 1.00 1.00 C ATOM 1411 OD1 ASP A 90 -3.177 2.514 8.664 1.00 1.00 O ATOM 1412 OD2 ASP A 90 -1.733 0.939 8.400 1.00 1.00 O ATOM 0 H ASP A 90 -2.977 -0.004 4.702 1.00 1.00 H new ATOM 0 HA ASP A 90 -4.972 1.775 5.938 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -4.804 0.622 7.895 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -3.510 -0.386 7.279 1.00 1.00 H new ATOM 1417 N PHE A 91 -3.079 3.491 6.453 1.00 1.00 N ATOM 1418 CA PHE A 91 -2.109 4.575 6.338 1.00 1.00 C ATOM 1419 C PHE A 91 -0.929 4.341 7.277 1.00 1.00 C ATOM 1420 O PHE A 91 -0.945 3.417 8.091 1.00 1.00 O ATOM 1421 CB PHE A 91 -2.776 5.909 6.685 1.00 1.00 C ATOM 1422 CG PHE A 91 -3.331 6.542 5.429 1.00 1.00 C ATOM 1423 CD1 PHE A 91 -2.461 6.961 4.416 1.00 1.00 C ATOM 1424 CD2 PHE A 91 -4.713 6.710 5.280 1.00 1.00 C ATOM 1425 CE1 PHE A 91 -2.973 7.550 3.253 1.00 1.00 C ATOM 1426 CE2 PHE A 91 -5.224 7.299 4.117 1.00 1.00 C ATOM 1427 CZ PHE A 91 -4.353 7.719 3.104 1.00 1.00 C ATOM 0 H PHE A 91 -3.871 3.694 7.062 1.00 1.00 H new ATOM 0 HA PHE A 91 -1.744 4.603 5.311 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -3.576 5.750 7.408 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -2.053 6.578 7.152 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -1.395 6.830 4.531 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -5.384 6.386 6.061 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -2.302 7.874 2.471 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -6.290 7.429 4.001 1.00 1.00 H new ATOM 0 HZ PHE A 91 -4.747 8.174 2.207 1.00 1.00 H new ATOM 1437 N ALA A 92 0.091 5.185 7.159 1.00 1.00 N ATOM 1438 CA ALA A 92 1.275 5.062 8.003 1.00 1.00 C ATOM 1439 C ALA A 92 0.875 4.885 9.464 1.00 1.00 C ATOM 1440 O ALA A 92 -0.295 5.028 9.819 1.00 1.00 O ATOM 1441 CB ALA A 92 2.149 6.310 7.858 1.00 1.00 C ATOM 0 H ALA A 92 0.122 5.956 6.492 1.00 1.00 H new ATOM 0 HA ALA A 92 1.838 4.185 7.684 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.031 6.212 8.491 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.458 6.419 6.818 1.00 1.00 H new ATOM 0 HB3 ALA A 92 1.581 7.189 8.162 1.00 1.00 H new ATOM 1447 N LYS A 93 1.855 4.574 10.306 1.00 1.00 N ATOM 1448 CA LYS A 93 1.594 4.381 11.729 1.00 1.00 C ATOM 1449 C LYS A 93 2.843 4.681 12.548 1.00 1.00 C ATOM 1450 O LYS A 93 2.899 5.678 13.272 1.00 1.00 O ATOM 1451 CB LYS A 93 1.147 2.940 11.986 1.00 1.00 C ATOM 1452 CG LYS A 93 0.372 2.874 13.304 1.00 1.00 C ATOM 1453 CD LYS A 93 -1.124 3.042 13.027 1.00 1.00 C ATOM 1454 CE LYS A 93 -1.860 3.305 14.341 1.00 1.00 C ATOM 1455 NZ LYS A 93 -3.301 3.558 14.060 1.00 1.00 N ATOM 0 H LYS A 93 2.830 4.451 10.032 1.00 1.00 H new ATOM 0 HA LYS A 93 0.802 5.067 12.031 1.00 1.00 H new ATOM 0 HB2 LYS A 93 0.520 2.590 11.165 1.00 1.00 H new ATOM 0 HB3 LYS A 93 2.014 2.281 12.028 1.00 1.00 H new ATOM 0 HG2 LYS A 93 0.556 1.920 13.799 1.00 1.00 H new ATOM 0 HG3 LYS A 93 0.717 3.656 13.980 1.00 1.00 H new ATOM 0 HD2 LYS A 93 -1.286 3.869 12.335 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -1.519 2.145 12.550 1.00 1.00 H new ATOM 0 HE2 LYS A 93 -1.753 2.449 15.008 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -1.422 4.163 14.851 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -3.803 3.737 14.953 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 -3.393 4.387 13.439 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -3.714 2.727 13.591 1.00 1.00 H new ATOM 1469 N SER A 94 3.847 3.817 12.432 1.00 1.00 N ATOM 1470 CA SER A 94 5.092 4.002 13.167 1.00 1.00 C ATOM 1471 C SER A 94 4.808 4.425 14.605 1.00 1.00 C ATOM 1472 O SER A 94 5.566 5.195 15.196 1.00 1.00 O ATOM 1473 CB SER A 94 5.951 5.065 12.481 1.00 1.00 C ATOM 1474 OG SER A 94 5.558 6.351 12.940 1.00 1.00 O ATOM 0 H SER A 94 3.823 2.987 11.840 1.00 1.00 H new ATOM 0 HA SER A 94 5.629 3.053 13.179 1.00 1.00 H new ATOM 0 HB2 SER A 94 7.005 4.894 12.699 1.00 1.00 H new ATOM 0 HB3 SER A 94 5.835 5.001 11.399 1.00 1.00 H new ATOM 0 HG SER A 94 4.583 6.379 13.039 1.00 1.00 H new ATOM 1480 N ALA A 95 3.714 3.916 15.161 1.00 1.00 N ATOM 1481 CA ALA A 95 3.340 4.249 16.531 1.00 1.00 C ATOM 1482 C ALA A 95 2.239 3.316 17.028 1.00 1.00 C ATOM 1483 O ALA A 95 2.425 2.716 18.073 1.00 1.00 O ATOM 1484 CB ALA A 95 2.856 5.698 16.603 1.00 1.00 C ATOM 1485 OXT ALA A 95 1.227 3.217 16.354 1.00 1.00 O ATOM 0 H ALA A 95 3.075 3.276 14.689 1.00 1.00 H new ATOM 0 HA ALA A 95 4.217 4.128 17.167 1.00 1.00 H new ATOM 0 HB1 ALA A 95 2.579 5.938 17.629 1.00 1.00 H new ATOM 0 HB2 ALA A 95 3.654 6.365 16.277 1.00 1.00 H new ATOM 0 HB3 ALA A 95 1.990 5.825 15.954 1.00 1.00 H new TER 1491 ALA A 95