USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 767 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 36 ASN : amide:sc= -0.0198 K(o=-0.46,f=-5.3!) USER MOD Set 1.2: A 38 ASN : amide:sc= -0.442 K(o=-0.46,f=-5.3) USER MOD Set 2.1: A 6 HIS : no HD1:sc= -0.152 X(o=-0.41,f=-0.56) USER MOD Set 2.2: A 26 GLN : amide:sc= -0.262 K(o=-0.41,f=-5!) USER MOD Set 3.1: A 8 THR OG1 : rot 74:sc= 0.178 USER MOD Set 3.2: A 92 THR OG1 : rot 180:sc= 0 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 2 SER OG : rot 41:sc= 0.352 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 4 HIS : no HD1:sc= -0.235 X(o=-0.23,f=-0.37) USER MOD Single : A 5 ASN : amide:sc= -0.0826 X(o=-0.083,f=-0.56) USER MOD Single : A 10 GLN : amide:sc= -8.61! C(o=-8.6!,f=-12!) USER MOD Single : A 15 CYS SG : rot -130:sc= -0.347 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.261 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 113:sc= 0.845 USER MOD Single : A 42 GLN : amide:sc=-0.00182 X(o=-0.0018,f=-0.21) USER MOD Single : A 45 LYS NZ :NH3+ -172:sc= 0.00547 (180deg=0.00327) USER MOD Single : A 46 THR OG1 : rot -140:sc= -1.25 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00628) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0284 USER MOD Single : A 62 GLN : amide:sc= -0.209 K(o=-0.21,f=-3!) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0225 USER MOD Single : A 73 ASN : amide:sc= -0.254 X(o=-0.25,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot -52:sc= -0.167 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.141 K(o=-0.14,f=-2.3!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= -0.124 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.023 23.337 -16.352 1.00 0.00 N ATOM 2 CA MET A 1 0.430 22.318 -15.365 1.00 0.00 C ATOM 3 C MET A 1 -0.729 21.829 -14.498 1.00 0.00 C ATOM 4 O MET A 1 -1.808 22.428 -14.493 1.00 0.00 O ATOM 5 CB MET A 1 1.519 22.938 -14.485 1.00 0.00 C ATOM 6 CG MET A 1 2.761 22.072 -14.349 1.00 0.00 C ATOM 7 SD MET A 1 3.872 22.649 -13.055 1.00 0.00 S ATOM 8 CE MET A 1 5.344 21.695 -13.420 1.00 0.00 C ATOM 0 H1 MET A 1 0.787 23.649 -16.925 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.747 22.922 -16.972 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.426 24.153 -15.848 1.00 0.00 H new ATOM 0 HA MET A 1 0.824 21.456 -15.903 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.804 23.904 -14.902 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.108 23.127 -13.493 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.462 21.046 -14.135 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.294 22.057 -15.300 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.125 21.942 -12.701 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.114 20.632 -13.354 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.689 21.930 -14.427 1.00 0.00 H new ATOM 20 N SER A 2 -0.498 20.740 -13.764 1.00 0.00 N ATOM 21 CA SER A 2 -1.521 20.169 -12.889 1.00 0.00 C ATOM 22 C SER A 2 -0.915 19.140 -11.934 1.00 0.00 C ATOM 23 O SER A 2 -0.541 18.041 -12.351 1.00 0.00 O ATOM 24 CB SER A 2 -2.632 19.521 -13.722 1.00 0.00 C ATOM 25 OG SER A 2 -2.099 18.602 -14.664 1.00 0.00 O ATOM 0 H SER A 2 0.389 20.236 -13.758 1.00 0.00 H new ATOM 0 HA SER A 2 -1.946 20.978 -12.295 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.331 19.006 -13.063 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.197 20.294 -14.244 1.00 0.00 H new ATOM 0 HG SER A 2 -1.374 18.090 -14.248 1.00 0.00 H new ATOM 31 N ASN A 3 -0.824 19.499 -10.653 1.00 0.00 N ATOM 32 CA ASN A 3 -0.268 18.603 -9.640 1.00 0.00 C ATOM 33 C ASN A 3 -1.351 17.681 -9.075 1.00 0.00 C ATOM 34 O ASN A 3 -1.135 16.476 -8.930 1.00 0.00 O ATOM 35 CB ASN A 3 0.377 19.400 -8.502 1.00 0.00 C ATOM 36 CG ASN A 3 1.395 20.416 -8.994 1.00 0.00 C ATOM 37 OD1 ASN A 3 2.024 20.230 -10.037 1.00 0.00 O ATOM 38 ND2 ASN A 3 1.564 21.497 -8.241 1.00 0.00 N ATOM 0 H ASN A 3 -1.128 20.404 -10.293 1.00 0.00 H new ATOM 0 HA ASN A 3 0.497 17.994 -10.121 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.401 19.916 -7.940 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.864 18.710 -7.813 1.00 0.00 H new ATOM 0 HD21 ASN A 3 2.235 22.213 -8.519 1.00 0.00 H new ATOM 0 HD22 ASN A 3 1.022 21.612 -7.384 1.00 0.00 H new ATOM 45 N HIS A 4 -2.513 18.259 -8.756 1.00 0.00 N ATOM 46 CA HIS A 4 -3.639 17.503 -8.206 1.00 0.00 C ATOM 47 C HIS A 4 -3.304 16.908 -6.836 1.00 0.00 C ATOM 48 O HIS A 4 -2.178 17.025 -6.350 1.00 0.00 O ATOM 49 CB HIS A 4 -4.061 16.390 -9.174 1.00 0.00 C ATOM 50 CG HIS A 4 -5.148 16.793 -10.124 1.00 0.00 C ATOM 51 ND1 HIS A 4 -6.199 17.613 -9.769 1.00 0.00 N ATOM 52 CD2 HIS A 4 -5.340 16.481 -11.427 1.00 0.00 C ATOM 53 CE1 HIS A 4 -6.992 17.784 -10.811 1.00 0.00 C ATOM 54 NE2 HIS A 4 -6.495 17.107 -11.830 1.00 0.00 N ATOM 0 H HIS A 4 -2.698 19.256 -8.871 1.00 0.00 H new ATOM 0 HA HIS A 4 -4.469 18.198 -8.076 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -3.191 16.071 -9.747 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.397 15.528 -8.597 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -4.704 15.856 -12.037 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.894 18.377 -10.827 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -6.902 17.057 -12.764 1.00 0.00 H new ATOM 63 N ASN A 5 -4.302 16.276 -6.217 1.00 0.00 N ATOM 64 CA ASN A 5 -4.132 15.663 -4.900 1.00 0.00 C ATOM 65 C ASN A 5 -4.729 14.252 -4.883 1.00 0.00 C ATOM 66 O ASN A 5 -4.966 13.664 -5.940 1.00 0.00 O ATOM 67 CB ASN A 5 -4.795 16.531 -3.823 1.00 0.00 C ATOM 68 CG ASN A 5 -4.432 18.002 -3.948 1.00 0.00 C ATOM 69 OD1 ASN A 5 -4.922 18.698 -4.837 1.00 0.00 O ATOM 70 ND2 ASN A 5 -3.574 18.483 -3.054 1.00 0.00 N ATOM 0 H ASN A 5 -5.239 16.175 -6.608 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.065 15.590 -4.687 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.877 16.421 -3.890 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.498 16.170 -2.838 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -3.298 19.464 -3.089 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.192 17.871 -2.333 1.00 0.00 H new ATOM 77 N HIS A 6 -4.964 13.715 -3.677 1.00 0.00 N ATOM 78 CA HIS A 6 -5.530 12.375 -3.504 1.00 0.00 C ATOM 79 C HIS A 6 -4.507 11.299 -3.853 1.00 0.00 C ATOM 80 O HIS A 6 -3.967 11.277 -4.960 1.00 0.00 O ATOM 81 CB HIS A 6 -6.799 12.191 -4.350 1.00 0.00 C ATOM 82 CG HIS A 6 -8.024 12.814 -3.754 1.00 0.00 C ATOM 83 ND1 HIS A 6 -8.279 12.845 -2.398 1.00 0.00 N ATOM 84 CD2 HIS A 6 -9.079 13.425 -4.345 1.00 0.00 C ATOM 85 CE1 HIS A 6 -9.435 13.447 -2.183 1.00 0.00 C ATOM 86 NE2 HIS A 6 -9.939 13.810 -3.347 1.00 0.00 N ATOM 0 H HIS A 6 -4.767 14.197 -2.800 1.00 0.00 H new ATOM 0 HA HIS A 6 -5.800 12.270 -2.453 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.630 12.619 -5.338 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.978 11.125 -4.491 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.218 13.580 -5.405 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.890 13.614 -1.218 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -10.824 14.298 -3.483 1.00 0.00 H new ATOM 95 N ILE A 7 -4.243 10.413 -2.897 1.00 0.00 N ATOM 96 CA ILE A 7 -3.277 9.336 -3.090 1.00 0.00 C ATOM 97 C ILE A 7 -3.899 8.166 -3.853 1.00 0.00 C ATOM 98 O ILE A 7 -5.086 7.875 -3.701 1.00 0.00 O ATOM 99 CB ILE A 7 -2.725 8.827 -1.738 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.357 10.012 -0.829 1.00 0.00 C ATOM 101 CG2 ILE A 7 -1.522 7.919 -1.958 1.00 0.00 C ATOM 102 CD1 ILE A 7 -1.066 10.705 -1.213 1.00 0.00 C ATOM 0 H ILE A 7 -4.686 10.420 -1.978 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.455 9.748 -3.676 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.502 8.245 -1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.168 10.739 -0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.275 9.657 0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.148 7.571 -0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.819 7.062 -2.563 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.737 8.473 -2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.877 11.529 -0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.242 9.993 -1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.149 11.092 -2.228 1.00 0.00 H new ATOM 114 N THR A 8 -3.090 7.505 -4.681 1.00 0.00 N ATOM 115 CA THR A 8 -3.562 6.373 -5.477 1.00 0.00 C ATOM 116 C THR A 8 -3.119 5.045 -4.866 1.00 0.00 C ATOM 117 O THR A 8 -1.944 4.678 -4.943 1.00 0.00 O ATOM 118 CB THR A 8 -3.046 6.472 -6.918 1.00 0.00 C ATOM 119 OG1 THR A 8 -2.953 7.825 -7.335 1.00 0.00 O ATOM 120 CG2 THR A 8 -3.918 5.737 -7.917 1.00 0.00 C ATOM 0 H THR A 8 -2.105 7.734 -4.818 1.00 0.00 H new ATOM 0 HA THR A 8 -4.651 6.408 -5.483 1.00 0.00 H new ATOM 0 HB THR A 8 -2.063 6.002 -6.903 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.188 8.251 -6.895 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.498 5.847 -8.917 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.960 4.680 -7.655 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.924 6.156 -7.899 1.00 0.00 H new ATOM 128 N VAL A 9 -4.067 4.320 -4.279 1.00 0.00 N ATOM 129 CA VAL A 9 -3.778 3.021 -3.676 1.00 0.00 C ATOM 130 C VAL A 9 -4.818 1.987 -4.110 1.00 0.00 C ATOM 131 O VAL A 9 -5.974 2.036 -3.685 1.00 0.00 O ATOM 132 CB VAL A 9 -3.720 3.101 -2.134 1.00 0.00 C ATOM 133 CG1 VAL A 9 -5.037 3.605 -1.559 1.00 0.00 C ATOM 134 CG2 VAL A 9 -3.346 1.746 -1.539 1.00 0.00 C ATOM 0 H VAL A 9 -5.042 4.609 -4.208 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.794 2.711 -4.029 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.945 3.818 -1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.966 3.651 -0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.248 4.600 -1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.841 2.926 -1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.310 1.823 -0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.092 1.004 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.369 1.442 -1.913 1.00 0.00 H new ATOM 144 N GLN A 10 -4.404 1.064 -4.975 1.00 0.00 N ATOM 145 CA GLN A 10 -5.305 0.032 -5.484 1.00 0.00 C ATOM 146 C GLN A 10 -4.639 -1.340 -5.504 1.00 0.00 C ATOM 147 O GLN A 10 -3.416 -1.455 -5.395 1.00 0.00 O ATOM 148 CB GLN A 10 -5.794 0.395 -6.894 1.00 0.00 C ATOM 149 CG GLN A 10 -4.724 1.011 -7.787 1.00 0.00 C ATOM 150 CD GLN A 10 -4.421 2.451 -7.431 1.00 0.00 C ATOM 151 OE1 GLN A 10 -5.315 3.296 -7.411 1.00 0.00 O ATOM 152 NE2 GLN A 10 -3.156 2.733 -7.137 1.00 0.00 N ATOM 0 H GLN A 10 -3.452 1.009 -5.338 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.158 -0.018 -4.807 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.180 -0.504 -7.375 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.627 1.093 -6.809 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.810 0.422 -7.710 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.050 0.959 -8.826 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.449 1.998 -7.167 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.892 3.684 -6.881 1.00 0.00 H new ATOM 161 N PHE A 11 -5.461 -2.380 -5.646 1.00 0.00 N ATOM 162 CA PHE A 11 -4.971 -3.754 -5.685 1.00 0.00 C ATOM 163 C PHE A 11 -5.179 -4.367 -7.066 1.00 0.00 C ATOM 164 O PHE A 11 -6.129 -4.025 -7.774 1.00 0.00 O ATOM 165 CB PHE A 11 -5.689 -4.601 -4.631 1.00 0.00 C ATOM 166 CG PHE A 11 -5.220 -4.345 -3.224 1.00 0.00 C ATOM 167 CD1 PHE A 11 -3.868 -4.295 -2.924 1.00 0.00 C ATOM 168 CD2 PHE A 11 -6.137 -4.150 -2.203 1.00 0.00 C ATOM 169 CE1 PHE A 11 -3.440 -4.061 -1.630 1.00 0.00 C ATOM 170 CE2 PHE A 11 -5.714 -3.916 -0.909 1.00 0.00 C ATOM 171 CZ PHE A 11 -4.363 -3.869 -0.622 1.00 0.00 C ATOM 0 H PHE A 11 -6.473 -2.294 -5.736 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.903 -3.739 -5.469 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.760 -4.405 -4.689 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.545 -5.656 -4.866 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.141 -4.440 -3.709 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.194 -4.181 -2.422 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.384 -4.028 -1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.439 -3.770 -0.122 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.030 -3.683 0.388 1.00 0.00 H new ATOM 181 N ALA A 12 -4.286 -5.281 -7.442 1.00 0.00 N ATOM 182 CA ALA A 12 -4.365 -5.951 -8.736 1.00 0.00 C ATOM 183 C ALA A 12 -3.996 -7.427 -8.612 1.00 0.00 C ATOM 184 O ALA A 12 -3.016 -7.776 -7.948 1.00 0.00 O ATOM 185 CB ALA A 12 -3.466 -5.260 -9.752 1.00 0.00 C ATOM 0 H ALA A 12 -3.497 -5.574 -6.866 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.396 -5.888 -9.086 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.538 -5.774 -10.711 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.781 -4.223 -9.871 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.434 -5.287 -9.403 1.00 0.00 H new ATOM 191 N GLY A 13 -4.785 -8.286 -9.254 1.00 0.00 N ATOM 192 CA GLY A 13 -4.528 -9.715 -9.204 1.00 0.00 C ATOM 193 C GLY A 13 -5.261 -10.392 -8.063 1.00 0.00 C ATOM 194 O GLY A 13 -6.482 -10.559 -8.116 1.00 0.00 O ATOM 0 H GLY A 13 -5.598 -8.017 -9.808 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.830 -10.169 -10.147 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.457 -9.886 -9.097 1.00 0.00 H new ATOM 198 N GLY A 14 -4.519 -10.781 -7.025 1.00 0.00 N ATOM 199 CA GLY A 14 -5.122 -11.437 -5.876 1.00 0.00 C ATOM 200 C GLY A 14 -4.869 -10.694 -4.574 1.00 0.00 C ATOM 201 O GLY A 14 -4.787 -11.313 -3.512 1.00 0.00 O ATOM 0 H GLY A 14 -3.509 -10.652 -6.961 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.197 -11.525 -6.036 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.728 -12.450 -5.793 1.00 0.00 H new ATOM 205 N CYS A 15 -4.742 -9.366 -4.653 1.00 0.00 N ATOM 206 CA CYS A 15 -4.492 -8.547 -3.466 1.00 0.00 C ATOM 207 C CYS A 15 -5.740 -7.766 -3.043 1.00 0.00 C ATOM 208 O CYS A 15 -5.840 -7.333 -1.893 1.00 0.00 O ATOM 209 CB CYS A 15 -3.331 -7.583 -3.715 1.00 0.00 C ATOM 210 SG CYS A 15 -1.698 -8.306 -3.427 1.00 0.00 S ATOM 0 H CYS A 15 -4.808 -8.838 -5.523 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.228 -9.224 -2.653 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.383 -7.227 -4.744 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.450 -6.713 -3.070 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.004 -7.519 -2.659 1.00 0.00 H new ATOM 216 N GLU A 16 -6.691 -7.592 -3.963 1.00 0.00 N ATOM 217 CA GLU A 16 -7.927 -6.872 -3.661 1.00 0.00 C ATOM 218 C GLU A 16 -8.671 -7.535 -2.503 1.00 0.00 C ATOM 219 O GLU A 16 -9.364 -6.867 -1.733 1.00 0.00 O ATOM 220 CB GLU A 16 -8.833 -6.822 -4.893 1.00 0.00 C ATOM 221 CG GLU A 16 -8.348 -5.868 -5.973 1.00 0.00 C ATOM 222 CD GLU A 16 -9.116 -6.008 -7.273 1.00 0.00 C ATOM 223 OE1 GLU A 16 -10.317 -6.358 -7.226 1.00 0.00 O ATOM 224 OE2 GLU A 16 -8.517 -5.768 -8.342 1.00 0.00 O ATOM 0 H GLU A 16 -6.628 -7.939 -4.920 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.661 -5.855 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.912 -7.824 -5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.835 -6.526 -4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.438 -4.843 -5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.290 -6.048 -6.161 1.00 0.00 H new ATOM 231 N LEU A 17 -8.515 -8.856 -2.382 1.00 0.00 N ATOM 232 CA LEU A 17 -9.163 -9.616 -1.315 1.00 0.00 C ATOM 233 C LEU A 17 -8.553 -9.306 0.060 1.00 0.00 C ATOM 234 O LEU A 17 -9.040 -9.802 1.075 1.00 0.00 O ATOM 235 CB LEU A 17 -9.068 -11.120 -1.593 1.00 0.00 C ATOM 236 CG LEU A 17 -9.380 -11.550 -3.031 1.00 0.00 C ATOM 237 CD1 LEU A 17 -8.109 -11.993 -3.744 1.00 0.00 C ATOM 238 CD2 LEU A 17 -10.418 -12.663 -3.041 1.00 0.00 C ATOM 0 H LEU A 17 -7.944 -9.420 -3.012 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.210 -9.315 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.061 -11.454 -1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.752 -11.639 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.791 -10.694 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.350 -12.295 -4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.399 -11.167 -3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.668 -12.835 -3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.628 -12.956 -4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.036 -13.522 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.335 -12.309 -2.571 1.00 0.00 H new ATOM 250 N LEU A 18 -7.492 -8.490 0.095 1.00 0.00 N ATOM 251 CA LEU A 18 -6.837 -8.131 1.356 1.00 0.00 C ATOM 252 C LEU A 18 -7.633 -7.075 2.141 1.00 0.00 C ATOM 253 O LEU A 18 -7.147 -6.560 3.148 1.00 0.00 O ATOM 254 CB LEU A 18 -5.418 -7.611 1.092 1.00 0.00 C ATOM 255 CG LEU A 18 -4.450 -8.630 0.486 1.00 0.00 C ATOM 256 CD1 LEU A 18 -3.148 -7.952 0.078 1.00 0.00 C ATOM 257 CD2 LEU A 18 -4.183 -9.757 1.471 1.00 0.00 C ATOM 0 H LEU A 18 -7.071 -8.068 -0.733 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.791 -9.036 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.482 -6.753 0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.000 -7.252 2.032 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.908 -9.055 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.472 -8.691 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.357 -7.179 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.683 -7.500 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.493 -10.474 1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.744 -9.348 2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.120 -10.258 1.713 1.00 0.00 H new ATOM 269 N PHE A 19 -8.846 -6.753 1.682 1.00 0.00 N ATOM 270 CA PHE A 19 -9.691 -5.762 2.348 1.00 0.00 C ATOM 271 C PHE A 19 -11.158 -6.100 2.133 1.00 0.00 C ATOM 272 O PHE A 19 -11.876 -6.420 3.080 1.00 0.00 O ATOM 273 CB PHE A 19 -9.381 -4.355 1.816 1.00 0.00 C ATOM 274 CG PHE A 19 -10.216 -3.270 2.440 1.00 0.00 C ATOM 275 CD1 PHE A 19 -10.033 -2.914 3.767 1.00 0.00 C ATOM 276 CD2 PHE A 19 -11.182 -2.605 1.699 1.00 0.00 C ATOM 277 CE1 PHE A 19 -10.795 -1.914 4.342 1.00 0.00 C ATOM 278 CE2 PHE A 19 -11.947 -1.604 2.271 1.00 0.00 C ATOM 279 CZ PHE A 19 -11.754 -1.260 3.594 1.00 0.00 C ATOM 0 H PHE A 19 -9.264 -7.167 0.849 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.481 -5.781 3.417 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.328 -4.135 1.990 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.535 -4.343 0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.287 -3.424 4.358 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.339 -2.872 0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.640 -1.644 5.376 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -12.694 -1.092 1.683 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.352 -0.481 4.043 1.00 0.00 H new ATOM 289 N ALA A 20 -11.593 -6.032 0.881 1.00 0.00 N ATOM 290 CA ALA A 20 -12.974 -6.338 0.531 1.00 0.00 C ATOM 291 C ALA A 20 -13.154 -6.371 -0.986 1.00 0.00 C ATOM 292 O ALA A 20 -14.166 -5.908 -1.513 1.00 0.00 O ATOM 293 CB ALA A 20 -13.910 -5.320 1.169 1.00 0.00 C ATOM 0 H ALA A 20 -11.007 -5.767 0.089 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.223 -7.327 0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.940 -5.556 0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.799 -5.353 2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.662 -4.322 0.809 1.00 0.00 H new ATOM 299 N LYS A 21 -12.154 -6.923 -1.685 1.00 0.00 N ATOM 300 CA LYS A 21 -12.184 -7.019 -3.145 1.00 0.00 C ATOM 301 C LYS A 21 -12.477 -5.655 -3.776 1.00 0.00 C ATOM 302 O LYS A 21 -13.161 -5.561 -4.798 1.00 0.00 O ATOM 303 CB LYS A 21 -13.223 -8.054 -3.589 1.00 0.00 C ATOM 304 CG LYS A 21 -13.148 -9.358 -2.808 1.00 0.00 C ATOM 305 CD LYS A 21 -14.092 -9.348 -1.615 1.00 0.00 C ATOM 306 CE LYS A 21 -14.684 -10.725 -1.358 1.00 0.00 C ATOM 307 NZ LYS A 21 -16.049 -10.646 -0.766 1.00 0.00 N ATOM 0 H LYS A 21 -11.312 -7.310 -1.258 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.202 -7.344 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.220 -7.628 -3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.084 -8.265 -4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.398 -10.191 -3.464 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.126 -9.519 -2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.555 -9.011 -0.728 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.896 -8.633 -1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.727 -11.281 -2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.030 -11.281 -0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.415 -11.607 -0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.005 -10.138 0.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.681 -10.138 -1.417 1.00 0.00 H new ATOM 321 N GLN A 22 -11.950 -4.598 -3.152 1.00 0.00 N ATOM 322 CA GLN A 22 -12.144 -3.237 -3.636 1.00 0.00 C ATOM 323 C GLN A 22 -11.263 -2.957 -4.851 1.00 0.00 C ATOM 324 O GLN A 22 -10.555 -3.842 -5.332 1.00 0.00 O ATOM 325 CB GLN A 22 -11.836 -2.233 -2.520 1.00 0.00 C ATOM 326 CG GLN A 22 -13.076 -1.632 -1.881 1.00 0.00 C ATOM 327 CD GLN A 22 -13.673 -0.504 -2.708 1.00 0.00 C ATOM 328 OE1 GLN A 22 -14.015 -0.692 -3.877 1.00 0.00 O ATOM 329 NE2 GLN A 22 -13.802 0.675 -2.108 1.00 0.00 N ATOM 0 H GLN A 22 -11.383 -4.664 -2.306 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.186 -3.128 -3.938 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -11.245 -2.729 -1.750 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.221 -1.430 -2.926 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.824 -2.413 -1.745 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.823 -1.256 -0.890 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.507 0.789 -1.138 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.197 1.466 -2.617 1.00 0.00 H new ATOM 338 N THR A 23 -11.310 -1.719 -5.341 1.00 0.00 N ATOM 339 CA THR A 23 -10.511 -1.330 -6.499 1.00 0.00 C ATOM 340 C THR A 23 -9.390 -0.372 -6.089 1.00 0.00 C ATOM 341 O THR A 23 -8.234 -0.782 -5.975 1.00 0.00 O ATOM 342 CB THR A 23 -11.403 -0.699 -7.579 1.00 0.00 C ATOM 343 OG1 THR A 23 -12.078 0.446 -7.080 1.00 0.00 O ATOM 344 CG2 THR A 23 -12.453 -1.649 -8.119 1.00 0.00 C ATOM 0 H THR A 23 -11.890 -0.973 -4.956 1.00 0.00 H new ATOM 0 HA THR A 23 -10.051 -2.226 -6.916 1.00 0.00 H new ATOM 0 HB THR A 23 -10.723 -0.431 -8.387 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.638 0.830 -7.787 1.00 0.00 H new ATOM 0 HG21 THR A 23 -13.048 -1.140 -8.877 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.965 -2.517 -8.562 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.102 -1.974 -7.306 1.00 0.00 H new ATOM 352 N SER A 24 -9.733 0.898 -5.864 1.00 0.00 N ATOM 353 CA SER A 24 -8.746 1.902 -5.468 1.00 0.00 C ATOM 354 C SER A 24 -9.268 2.779 -4.329 1.00 0.00 C ATOM 355 O SER A 24 -10.472 2.821 -4.063 1.00 0.00 O ATOM 356 CB SER A 24 -8.364 2.774 -6.666 1.00 0.00 C ATOM 357 OG SER A 24 -9.439 3.618 -7.051 1.00 0.00 O ATOM 0 H SER A 24 -10.685 1.254 -5.949 1.00 0.00 H new ATOM 0 HA SER A 24 -7.861 1.375 -5.111 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.494 3.381 -6.415 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.078 2.139 -7.505 1.00 0.00 H new ATOM 0 HG SER A 24 -9.167 4.165 -7.817 1.00 0.00 H new ATOM 363 N LEU A 25 -8.348 3.476 -3.660 1.00 0.00 N ATOM 364 CA LEU A 25 -8.698 4.358 -2.549 1.00 0.00 C ATOM 365 C LEU A 25 -7.890 5.656 -2.611 1.00 0.00 C ATOM 366 O LEU A 25 -6.804 5.690 -3.193 1.00 0.00 O ATOM 367 CB LEU A 25 -8.445 3.650 -1.215 1.00 0.00 C ATOM 368 CG LEU A 25 -9.520 2.639 -0.803 1.00 0.00 C ATOM 369 CD1 LEU A 25 -8.888 1.302 -0.442 1.00 0.00 C ATOM 370 CD2 LEU A 25 -10.343 3.174 0.361 1.00 0.00 C ATOM 0 H LEU A 25 -7.351 3.445 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.757 4.605 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.486 3.135 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.357 4.403 -0.432 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.187 2.485 -1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.668 0.597 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.347 0.911 -1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.196 1.439 0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.101 2.441 0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.690 3.360 1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.829 4.104 0.066 1.00 0.00 H new ATOM 382 N GLN A 26 -8.426 6.721 -2.011 1.00 0.00 N ATOM 383 CA GLN A 26 -7.754 8.019 -2.003 1.00 0.00 C ATOM 384 C GLN A 26 -7.734 8.620 -0.600 1.00 0.00 C ATOM 385 O GLN A 26 -8.773 8.725 0.055 1.00 0.00 O ATOM 386 CB GLN A 26 -8.449 8.978 -2.973 1.00 0.00 C ATOM 387 CG GLN A 26 -8.126 8.703 -4.435 1.00 0.00 C ATOM 388 CD GLN A 26 -9.100 9.375 -5.386 1.00 0.00 C ATOM 389 OE1 GLN A 26 -8.881 10.505 -5.820 1.00 0.00 O ATOM 390 NE2 GLN A 26 -10.183 8.678 -5.718 1.00 0.00 N ATOM 0 H GLN A 26 -9.323 6.709 -1.525 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.723 7.868 -2.324 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.527 8.910 -2.828 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.159 10.000 -2.731 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.116 9.050 -4.651 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.138 7.627 -4.609 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.325 7.744 -5.335 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.871 9.078 -6.356 1.00 0.00 H new ATOM 399 N LEU A 27 -6.543 9.010 -0.143 1.00 0.00 N ATOM 400 CA LEU A 27 -6.383 9.597 1.185 1.00 0.00 C ATOM 401 C LEU A 27 -6.225 11.116 1.098 1.00 0.00 C ATOM 402 O LEU A 27 -5.495 11.624 0.245 1.00 0.00 O ATOM 403 CB LEU A 27 -5.170 8.989 1.895 1.00 0.00 C ATOM 404 CG LEU A 27 -5.107 7.459 1.889 1.00 0.00 C ATOM 405 CD1 LEU A 27 -3.664 6.985 1.779 1.00 0.00 C ATOM 406 CD2 LEU A 27 -5.764 6.895 3.141 1.00 0.00 C ATOM 0 H LEU A 27 -5.676 8.929 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.282 9.375 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.265 9.375 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.165 9.332 2.930 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.654 7.093 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.638 5.895 1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.227 7.361 0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.092 7.359 2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.711 5.806 3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.245 7.268 4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.808 7.207 3.176 1.00 0.00 H new ATOM 418 N ASP A 28 -6.914 11.830 1.989 1.00 0.00 N ATOM 419 CA ASP A 28 -6.854 13.288 2.022 1.00 0.00 C ATOM 420 C ASP A 28 -6.565 13.789 3.436 1.00 0.00 C ATOM 421 O ASP A 28 -7.265 13.431 4.385 1.00 0.00 O ATOM 422 CB ASP A 28 -8.175 13.886 1.524 1.00 0.00 C ATOM 423 CG ASP A 28 -8.003 15.267 0.916 1.00 0.00 C ATOM 424 OD1 ASP A 28 -7.189 16.056 1.445 1.00 0.00 O ATOM 425 OD2 ASP A 28 -8.686 15.563 -0.086 1.00 0.00 O ATOM 0 H ASP A 28 -7.521 11.419 2.698 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.044 13.607 1.366 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.614 13.219 0.782 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.878 13.945 2.355 1.00 0.00 H new ATOM 430 N GLY A 29 -5.533 14.623 3.563 1.00 0.00 N ATOM 431 CA GLY A 29 -5.165 15.168 4.860 1.00 0.00 C ATOM 432 C GLY A 29 -4.725 14.100 5.842 1.00 0.00 C ATOM 433 O GLY A 29 -5.187 14.070 6.985 1.00 0.00 O ATOM 0 H GLY A 29 -4.945 14.931 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.359 15.890 4.730 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.015 15.710 5.276 1.00 0.00 H new ATOM 437 N VAL A 30 -3.827 13.219 5.402 1.00 0.00 N ATOM 438 CA VAL A 30 -3.324 12.147 6.255 1.00 0.00 C ATOM 439 C VAL A 30 -1.803 12.225 6.383 1.00 0.00 C ATOM 440 O VAL A 30 -1.107 11.209 6.315 1.00 0.00 O ATOM 441 CB VAL A 30 -3.735 10.761 5.712 1.00 0.00 C ATOM 442 CG1 VAL A 30 -3.477 9.678 6.750 1.00 0.00 C ATOM 443 CG2 VAL A 30 -5.198 10.764 5.293 1.00 0.00 C ATOM 0 H VAL A 30 -3.434 13.228 4.461 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.769 12.277 7.242 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.126 10.543 4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.774 8.710 6.347 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.416 9.658 6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.056 9.890 7.649 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.470 9.779 4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.822 11.006 6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.351 11.509 4.512 1.00 0.00 H new ATOM 453 N VAL A 31 -1.292 13.445 6.567 1.00 0.00 N ATOM 454 CA VAL A 31 0.146 13.673 6.706 1.00 0.00 C ATOM 455 C VAL A 31 0.916 13.121 5.500 1.00 0.00 C ATOM 456 O VAL A 31 1.693 12.173 5.625 1.00 0.00 O ATOM 457 CB VAL A 31 0.700 13.039 8.004 1.00 0.00 C ATOM 458 CG1 VAL A 31 2.155 13.435 8.217 1.00 0.00 C ATOM 459 CG2 VAL A 31 -0.147 13.438 9.207 1.00 0.00 C ATOM 0 H VAL A 31 -1.857 14.293 6.623 1.00 0.00 H new ATOM 0 HA VAL A 31 0.289 14.752 6.755 1.00 0.00 H new ATOM 0 HB VAL A 31 0.651 11.955 7.899 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.526 12.979 9.135 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.753 13.090 7.373 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.229 14.520 8.295 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.262 12.980 10.108 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.138 14.523 9.315 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.172 13.097 9.060 1.00 0.00 H new ATOM 469 N PRO A 32 0.709 13.714 4.310 1.00 0.00 N ATOM 470 CA PRO A 32 1.389 13.283 3.082 1.00 0.00 C ATOM 471 C PRO A 32 2.872 13.655 3.053 1.00 0.00 C ATOM 472 O PRO A 32 3.618 13.167 2.203 1.00 0.00 O ATOM 473 CB PRO A 32 0.634 14.029 1.981 1.00 0.00 C ATOM 474 CG PRO A 32 0.095 15.247 2.649 1.00 0.00 C ATOM 475 CD PRO A 32 -0.200 14.852 4.071 1.00 0.00 C ATOM 0 HA PRO A 32 1.375 12.198 2.979 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.295 14.291 1.155 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.167 13.417 1.566 1.00 0.00 H new ATOM 0 HG2 PRO A 32 0.818 16.062 2.614 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.807 15.599 2.148 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.007 15.672 4.763 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.244 14.565 4.199 1.00 0.00 H new ATOM 483 N THR A 33 3.296 14.519 3.975 1.00 0.00 N ATOM 484 CA THR A 33 4.690 14.950 4.037 1.00 0.00 C ATOM 485 C THR A 33 5.478 14.141 5.068 1.00 0.00 C ATOM 486 O THR A 33 6.491 13.521 4.740 1.00 0.00 O ATOM 487 CB THR A 33 4.776 16.443 4.373 1.00 0.00 C ATOM 488 OG1 THR A 33 3.762 17.176 3.703 1.00 0.00 O ATOM 489 CG2 THR A 33 6.107 17.060 4.005 1.00 0.00 C ATOM 0 H THR A 33 2.695 14.933 4.687 1.00 0.00 H new ATOM 0 HA THR A 33 5.132 14.777 3.056 1.00 0.00 H new ATOM 0 HB THR A 33 4.649 16.500 5.454 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.837 18.125 3.935 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.103 18.118 4.268 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.905 16.554 4.548 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.273 16.954 2.933 1.00 0.00 H new ATOM 497 N GLY A 34 5.011 14.164 6.318 1.00 0.00 N ATOM 498 CA GLY A 34 5.689 13.441 7.385 1.00 0.00 C ATOM 499 C GLY A 34 5.266 11.983 7.500 1.00 0.00 C ATOM 500 O GLY A 34 4.972 11.506 8.599 1.00 0.00 O ATOM 0 H GLY A 34 4.175 14.671 6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.765 13.486 7.216 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.494 13.943 8.333 1.00 0.00 H new ATOM 504 N THR A 35 5.250 11.267 6.372 1.00 0.00 N ATOM 505 CA THR A 35 4.876 9.852 6.360 1.00 0.00 C ATOM 506 C THR A 35 5.577 9.118 5.218 1.00 0.00 C ATOM 507 O THR A 35 5.650 9.624 4.096 1.00 0.00 O ATOM 508 CB THR A 35 3.357 9.686 6.237 1.00 0.00 C ATOM 509 OG1 THR A 35 2.690 10.320 7.312 1.00 0.00 O ATOM 510 CG2 THR A 35 2.913 8.241 6.216 1.00 0.00 C ATOM 0 H THR A 35 5.492 11.645 5.456 1.00 0.00 H new ATOM 0 HA THR A 35 5.195 9.415 7.306 1.00 0.00 H new ATOM 0 HB THR A 35 3.096 10.147 5.284 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.173 11.081 6.973 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.828 8.195 6.127 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.368 7.733 5.366 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.223 7.752 7.140 1.00 0.00 H new ATOM 518 N ASN A 36 6.089 7.923 5.511 1.00 0.00 N ATOM 519 CA ASN A 36 6.787 7.114 4.511 1.00 0.00 C ATOM 520 C ASN A 36 5.983 5.859 4.167 1.00 0.00 C ATOM 521 O ASN A 36 4.856 5.690 4.631 1.00 0.00 O ATOM 522 CB ASN A 36 8.192 6.735 5.006 1.00 0.00 C ATOM 523 CG ASN A 36 8.225 6.296 6.462 1.00 0.00 C ATOM 524 OD1 ASN A 36 7.195 5.966 7.053 1.00 0.00 O ATOM 525 ND2 ASN A 36 9.418 6.289 7.047 1.00 0.00 N ATOM 0 H ASN A 36 6.034 7.493 6.434 1.00 0.00 H new ATOM 0 HA ASN A 36 6.890 7.711 3.605 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.583 5.930 4.383 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.857 7.589 4.877 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.506 6.003 8.022 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.246 6.570 6.521 1.00 0.00 H new ATOM 532 N LEU A 37 6.563 4.987 3.339 1.00 0.00 N ATOM 533 CA LEU A 37 5.888 3.760 2.926 1.00 0.00 C ATOM 534 C LEU A 37 5.495 2.895 4.121 1.00 0.00 C ATOM 535 O LEU A 37 4.347 2.460 4.217 1.00 0.00 O ATOM 536 CB LEU A 37 6.770 2.956 1.967 1.00 0.00 C ATOM 537 CG LEU A 37 6.035 1.895 1.151 1.00 0.00 C ATOM 538 CD1 LEU A 37 6.604 1.813 -0.258 1.00 0.00 C ATOM 539 CD2 LEU A 37 6.103 0.539 1.846 1.00 0.00 C ATOM 0 H LEU A 37 7.495 5.109 2.944 1.00 0.00 H new ATOM 0 HA LEU A 37 4.973 4.054 2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.258 3.647 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.557 2.469 2.543 1.00 0.00 H new ATOM 0 HG LEU A 37 4.987 2.184 1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.067 1.051 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.492 2.778 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.661 1.551 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.573 -0.203 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.145 0.239 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.639 0.611 2.830 1.00 0.00 H new ATOM 551 N ASN A 38 6.440 2.649 5.034 1.00 0.00 N ATOM 552 CA ASN A 38 6.146 1.835 6.215 1.00 0.00 C ATOM 553 C ASN A 38 4.992 2.449 7.006 1.00 0.00 C ATOM 554 O ASN A 38 4.189 1.735 7.608 1.00 0.00 O ATOM 555 CB ASN A 38 7.380 1.667 7.110 1.00 0.00 C ATOM 556 CG ASN A 38 8.032 2.983 7.488 1.00 0.00 C ATOM 557 OD1 ASN A 38 8.970 3.435 6.831 1.00 0.00 O ATOM 558 ND2 ASN A 38 7.539 3.603 8.553 1.00 0.00 N ATOM 0 H ASN A 38 7.398 2.995 4.980 1.00 0.00 H new ATOM 0 HA ASN A 38 5.854 0.843 5.870 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.092 1.138 8.019 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.110 1.042 6.596 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.939 4.491 8.857 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.760 3.192 9.068 1.00 0.00 H new ATOM 565 N GLY A 39 4.900 3.778 6.966 1.00 0.00 N ATOM 566 CA GLY A 39 3.826 4.469 7.644 1.00 0.00 C ATOM 567 C GLY A 39 2.538 4.418 6.839 1.00 0.00 C ATOM 568 O GLY A 39 1.448 4.378 7.408 1.00 0.00 O ATOM 0 H GLY A 39 5.555 4.385 6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.663 4.019 8.623 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.110 5.508 7.814 1.00 0.00 H new ATOM 572 N LEU A 40 2.670 4.407 5.505 1.00 0.00 N ATOM 573 CA LEU A 40 1.510 4.345 4.618 1.00 0.00 C ATOM 574 C LEU A 40 0.761 3.031 4.811 1.00 0.00 C ATOM 575 O LEU A 40 -0.453 3.025 5.030 1.00 0.00 O ATOM 576 CB LEU A 40 1.945 4.498 3.154 1.00 0.00 C ATOM 577 CG LEU A 40 1.481 5.782 2.463 1.00 0.00 C ATOM 578 CD1 LEU A 40 -0.038 5.842 2.406 1.00 0.00 C ATOM 579 CD2 LEU A 40 2.041 7.005 3.178 1.00 0.00 C ATOM 0 H LEU A 40 3.568 4.440 5.022 1.00 0.00 H new ATOM 0 HA LEU A 40 0.840 5.167 4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.033 4.454 3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.568 3.645 2.590 1.00 0.00 H new ATOM 0 HG LEU A 40 1.860 5.778 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.347 6.763 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.415 4.985 1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.441 5.821 3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.701 7.909 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.693 7.014 4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.130 6.969 3.162 1.00 0.00 H new ATOM 591 N VAL A 41 1.493 1.917 4.737 1.00 0.00 N ATOM 592 CA VAL A 41 0.895 0.593 4.914 1.00 0.00 C ATOM 593 C VAL A 41 0.190 0.492 6.263 1.00 0.00 C ATOM 594 O VAL A 41 -0.999 0.195 6.325 1.00 0.00 O ATOM 595 CB VAL A 41 1.926 -0.556 4.793 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.062 -0.993 3.342 1.00 0.00 C ATOM 597 CG2 VAL A 41 3.285 -0.167 5.366 1.00 0.00 C ATOM 0 H VAL A 41 2.497 1.906 4.556 1.00 0.00 H new ATOM 0 HA VAL A 41 0.173 0.479 4.106 1.00 0.00 H new ATOM 0 HB VAL A 41 1.555 -1.394 5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.790 -1.801 3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.097 -1.341 2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.397 -0.150 2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.977 -1.002 5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.674 0.697 4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.177 0.083 6.421 1.00 0.00 H new ATOM 607 N GLN A 42 0.928 0.754 7.342 1.00 0.00 N ATOM 608 CA GLN A 42 0.367 0.704 8.692 1.00 0.00 C ATOM 609 C GLN A 42 -0.917 1.540 8.798 1.00 0.00 C ATOM 610 O GLN A 42 -1.804 1.228 9.591 1.00 0.00 O ATOM 611 CB GLN A 42 1.400 1.195 9.710 1.00 0.00 C ATOM 612 CG GLN A 42 1.082 0.802 11.144 1.00 0.00 C ATOM 613 CD GLN A 42 2.149 -0.085 11.761 1.00 0.00 C ATOM 614 OE1 GLN A 42 2.649 -1.011 11.122 1.00 0.00 O ATOM 615 NE2 GLN A 42 2.502 0.193 13.013 1.00 0.00 N ATOM 0 H GLN A 42 1.916 1.003 7.307 1.00 0.00 H new ATOM 0 HA GLN A 42 0.111 -0.333 8.910 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.378 0.796 9.442 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.470 2.281 9.648 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.972 1.703 11.747 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.124 0.282 11.170 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.062 0.970 13.506 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.213 -0.371 13.480 1.00 0.00 H new ATOM 624 N LEU A 43 -1.008 2.601 7.991 1.00 0.00 N ATOM 625 CA LEU A 43 -2.181 3.477 7.994 1.00 0.00 C ATOM 626 C LEU A 43 -3.374 2.832 7.279 1.00 0.00 C ATOM 627 O LEU A 43 -4.522 3.135 7.598 1.00 0.00 O ATOM 628 CB LEU A 43 -1.844 4.820 7.331 1.00 0.00 C ATOM 629 CG LEU A 43 -2.615 6.039 7.859 1.00 0.00 C ATOM 630 CD1 LEU A 43 -4.073 5.991 7.421 1.00 0.00 C ATOM 631 CD2 LEU A 43 -2.516 6.126 9.376 1.00 0.00 C ATOM 0 H LEU A 43 -0.283 2.873 7.327 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.461 3.644 9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.777 5.007 7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.030 4.732 6.261 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.160 6.934 7.434 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.598 6.865 7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.126 5.988 6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.540 5.086 7.810 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.069 6.997 9.727 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.938 5.224 9.820 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.470 6.219 9.668 1.00 0.00 H new ATOM 643 N LEU A 44 -3.107 1.953 6.310 1.00 0.00 N ATOM 644 CA LEU A 44 -4.187 1.297 5.568 1.00 0.00 C ATOM 645 C LEU A 44 -4.532 -0.082 6.139 1.00 0.00 C ATOM 646 O LEU A 44 -5.699 -0.466 6.145 1.00 0.00 O ATOM 647 CB LEU A 44 -3.855 1.191 4.070 1.00 0.00 C ATOM 648 CG LEU A 44 -2.556 0.461 3.706 1.00 0.00 C ATOM 649 CD1 LEU A 44 -2.747 -1.050 3.768 1.00 0.00 C ATOM 650 CD2 LEU A 44 -2.087 0.879 2.319 1.00 0.00 C ATOM 0 H LEU A 44 -2.166 1.682 6.023 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.068 1.928 5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.682 0.684 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.806 2.200 3.659 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.793 0.738 4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.812 -1.546 3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.040 -1.339 4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.525 -1.348 3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.164 0.353 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.853 0.629 1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.907 1.954 2.304 1.00 0.00 H new ATOM 662 N LYS A 45 -3.530 -0.828 6.606 1.00 0.00 N ATOM 663 CA LYS A 45 -3.776 -2.161 7.158 1.00 0.00 C ATOM 664 C LYS A 45 -4.146 -2.109 8.643 1.00 0.00 C ATOM 665 O LYS A 45 -5.241 -2.519 9.023 1.00 0.00 O ATOM 666 CB LYS A 45 -2.572 -3.090 6.934 1.00 0.00 C ATOM 667 CG LYS A 45 -1.216 -2.419 7.080 1.00 0.00 C ATOM 668 CD LYS A 45 -0.172 -3.373 7.641 1.00 0.00 C ATOM 669 CE LYS A 45 0.973 -2.618 8.300 1.00 0.00 C ATOM 670 NZ LYS A 45 2.190 -3.465 8.442 1.00 0.00 N ATOM 0 H LYS A 45 -2.552 -0.537 6.614 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.631 -2.571 6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.631 -3.916 7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.643 -3.521 5.935 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.887 -2.050 6.109 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.307 -1.553 7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.638 -4.038 8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.218 -4.001 6.839 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.213 -1.735 7.708 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.658 -2.268 9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.898 -2.962 9.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.938 -4.359 8.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.584 -3.666 7.501 1.00 0.00 H new ATOM 684 N THR A 46 -3.245 -1.605 9.484 1.00 0.00 N ATOM 685 CA THR A 46 -3.518 -1.520 10.919 1.00 0.00 C ATOM 686 C THR A 46 -4.767 -0.680 11.206 1.00 0.00 C ATOM 687 O THR A 46 -5.394 -0.833 12.256 1.00 0.00 O ATOM 688 CB THR A 46 -2.314 -0.950 11.671 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.109 -1.526 11.198 1.00 0.00 O ATOM 690 CG2 THR A 46 -2.378 -1.184 13.166 1.00 0.00 C ATOM 0 H THR A 46 -2.330 -1.253 9.202 1.00 0.00 H new ATOM 0 HA THR A 46 -3.704 -2.534 11.274 1.00 0.00 H new ATOM 0 HB THR A 46 -2.338 0.124 11.485 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.510 -1.699 11.954 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.495 -0.755 13.639 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.272 -0.710 13.570 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.413 -2.255 13.365 1.00 0.00 H new ATOM 698 N ASN A 47 -5.127 0.204 10.273 1.00 0.00 N ATOM 699 CA ASN A 47 -6.302 1.055 10.435 1.00 0.00 C ATOM 700 C ASN A 47 -7.522 0.464 9.725 1.00 0.00 C ATOM 701 O ASN A 47 -8.639 0.539 10.242 1.00 0.00 O ATOM 702 CB ASN A 47 -6.014 2.461 9.902 1.00 0.00 C ATOM 703 CG ASN A 47 -6.375 3.544 10.901 1.00 0.00 C ATOM 704 OD1 ASN A 47 -7.378 4.238 10.746 1.00 0.00 O ATOM 705 ND2 ASN A 47 -5.550 3.697 11.933 1.00 0.00 N ATOM 0 H ASN A 47 -4.621 0.347 9.399 1.00 0.00 H new ATOM 0 HA ASN A 47 -6.528 1.114 11.500 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -4.957 2.541 9.650 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.575 2.619 8.981 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -5.739 4.413 12.635 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -4.729 3.099 12.022 1.00 0.00 H new ATOM 712 N TYR A 48 -7.310 -0.115 8.538 1.00 0.00 N ATOM 713 CA TYR A 48 -8.410 -0.702 7.772 1.00 0.00 C ATOM 714 C TYR A 48 -7.944 -1.875 6.904 1.00 0.00 C ATOM 715 O TYR A 48 -8.088 -1.849 5.683 1.00 0.00 O ATOM 716 CB TYR A 48 -9.063 0.366 6.892 1.00 0.00 C ATOM 717 CG TYR A 48 -10.270 1.018 7.523 1.00 0.00 C ATOM 718 CD1 TYR A 48 -11.432 0.295 7.759 1.00 0.00 C ATOM 719 CD2 TYR A 48 -10.244 2.357 7.891 1.00 0.00 C ATOM 720 CE1 TYR A 48 -12.538 0.890 8.333 1.00 0.00 C ATOM 721 CE2 TYR A 48 -11.344 2.959 8.467 1.00 0.00 C ATOM 722 CZ TYR A 48 -12.488 2.221 8.690 1.00 0.00 C ATOM 723 OH TYR A 48 -13.586 2.819 9.261 1.00 0.00 O ATOM 0 H TYR A 48 -6.396 -0.189 8.092 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.137 -1.087 8.487 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.325 1.134 6.661 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.359 -0.087 5.946 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.471 -0.750 7.489 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.348 2.937 7.724 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.437 0.316 8.501 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.309 4.003 8.742 1.00 0.00 H new ATOM 0 HH TYR A 48 -13.384 3.759 9.453 1.00 0.00 H new ATOM 733 N VAL A 49 -7.395 -2.908 7.539 1.00 0.00 N ATOM 734 CA VAL A 49 -6.924 -4.083 6.805 1.00 0.00 C ATOM 735 C VAL A 49 -8.083 -5.003 6.420 1.00 0.00 C ATOM 736 O VAL A 49 -8.125 -5.516 5.306 1.00 0.00 O ATOM 737 CB VAL A 49 -5.862 -4.890 7.599 1.00 0.00 C ATOM 738 CG1 VAL A 49 -6.393 -5.335 8.955 1.00 0.00 C ATOM 739 CG2 VAL A 49 -5.372 -6.084 6.790 1.00 0.00 C ATOM 0 H VAL A 49 -7.266 -2.957 8.550 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.453 -3.704 5.898 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.015 -4.228 7.780 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.621 -5.897 9.481 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.669 -4.460 9.543 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.269 -5.968 8.813 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.629 -6.634 7.367 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.213 -6.739 6.563 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.923 -5.734 5.860 1.00 0.00 H new ATOM 749 N LYS A 50 -9.019 -5.209 7.347 1.00 0.00 N ATOM 750 CA LYS A 50 -10.174 -6.077 7.096 1.00 0.00 C ATOM 751 C LYS A 50 -9.741 -7.523 6.817 1.00 0.00 C ATOM 752 O LYS A 50 -10.534 -8.335 6.336 1.00 0.00 O ATOM 753 CB LYS A 50 -10.991 -5.540 5.918 1.00 0.00 C ATOM 754 CG LYS A 50 -12.383 -5.072 6.306 1.00 0.00 C ATOM 755 CD LYS A 50 -13.456 -5.834 5.547 1.00 0.00 C ATOM 756 CE LYS A 50 -14.819 -5.678 6.203 1.00 0.00 C ATOM 757 NZ LYS A 50 -14.959 -6.539 7.412 1.00 0.00 N ATOM 0 H LYS A 50 -9.002 -4.789 8.276 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.791 -6.078 7.994 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.452 -4.710 5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.077 -6.319 5.161 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.528 -5.207 7.378 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.480 -4.005 6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.502 -5.473 4.519 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.191 -6.890 5.502 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.970 -4.635 6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.598 -5.932 5.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.919 -6.441 7.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.790 -7.532 7.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.265 -6.246 8.129 1.00 0.00 H new ATOM 771 N GLU A 51 -8.483 -7.833 7.124 1.00 0.00 N ATOM 772 CA GLU A 51 -7.937 -9.168 6.912 1.00 0.00 C ATOM 773 C GLU A 51 -6.814 -9.436 7.914 1.00 0.00 C ATOM 774 O GLU A 51 -6.718 -8.757 8.938 1.00 0.00 O ATOM 775 CB GLU A 51 -7.416 -9.302 5.474 1.00 0.00 C ATOM 776 CG GLU A 51 -7.760 -10.636 4.821 1.00 0.00 C ATOM 777 CD GLU A 51 -9.195 -10.700 4.333 1.00 0.00 C ATOM 778 OE1 GLU A 51 -9.705 -9.669 3.842 1.00 0.00 O ATOM 779 OE2 GLU A 51 -9.812 -11.779 4.448 1.00 0.00 O ATOM 0 H GLU A 51 -7.819 -7.170 7.524 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.726 -9.905 7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.829 -8.494 4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.333 -9.177 5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.087 -10.808 3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.588 -11.440 5.536 1.00 0.00 H new ATOM 786 N ARG A 52 -5.964 -10.416 7.617 1.00 0.00 N ATOM 787 CA ARG A 52 -4.851 -10.747 8.498 1.00 0.00 C ATOM 788 C ARG A 52 -3.634 -9.885 8.166 1.00 0.00 C ATOM 789 O ARG A 52 -2.992 -10.083 7.135 1.00 0.00 O ATOM 790 CB ARG A 52 -4.488 -12.233 8.386 1.00 0.00 C ATOM 791 CG ARG A 52 -5.645 -13.173 8.683 1.00 0.00 C ATOM 792 CD ARG A 52 -5.605 -13.676 10.118 1.00 0.00 C ATOM 793 NE ARG A 52 -6.921 -14.116 10.581 1.00 0.00 N ATOM 794 CZ ARG A 52 -7.517 -15.245 10.184 1.00 0.00 C ATOM 795 NH1 ARG A 52 -6.914 -16.057 9.318 1.00 0.00 N ATOM 796 NH2 ARG A 52 -8.717 -15.565 10.659 1.00 0.00 N ATOM 0 H ARG A 52 -6.025 -10.991 6.777 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.160 -10.544 9.523 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.120 -12.432 7.380 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.670 -12.450 9.073 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.588 -12.657 8.504 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.610 -14.021 7.999 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.899 -14.503 10.193 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.238 -12.883 10.770 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.415 -13.524 11.249 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.992 -15.819 8.953 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.374 -16.917 9.019 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.182 -14.949 11.326 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.172 -16.426 10.356 1.00 0.00 H new ATOM 810 N PRO A 53 -3.291 -8.916 9.035 1.00 0.00 N ATOM 811 CA PRO A 53 -2.137 -8.040 8.811 1.00 0.00 C ATOM 812 C PRO A 53 -0.825 -8.817 8.700 1.00 0.00 C ATOM 813 O PRO A 53 0.140 -8.330 8.109 1.00 0.00 O ATOM 814 CB PRO A 53 -2.114 -7.130 10.045 1.00 0.00 C ATOM 815 CG PRO A 53 -2.949 -7.829 11.064 1.00 0.00 C ATOM 816 CD PRO A 53 -3.983 -8.601 10.297 1.00 0.00 C ATOM 0 HA PRO A 53 -2.228 -7.496 7.871 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.096 -6.981 10.405 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.518 -6.144 9.814 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.341 -8.495 11.676 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.418 -7.114 11.740 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.288 -9.504 10.826 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.884 -8.011 10.127 1.00 0.00 H new ATOM 824 N ASP A 54 -0.795 -10.024 9.270 1.00 0.00 N ATOM 825 CA ASP A 54 0.402 -10.859 9.235 1.00 0.00 C ATOM 826 C ASP A 54 0.428 -11.783 8.011 1.00 0.00 C ATOM 827 O ASP A 54 1.297 -12.651 7.908 1.00 0.00 O ATOM 828 CB ASP A 54 0.500 -11.691 10.515 1.00 0.00 C ATOM 829 CG ASP A 54 0.651 -10.833 11.755 1.00 0.00 C ATOM 830 OD1 ASP A 54 1.690 -10.152 11.885 1.00 0.00 O ATOM 831 OD2 ASP A 54 -0.276 -10.833 12.591 1.00 0.00 O ATOM 0 H ASP A 54 -1.586 -10.442 9.760 1.00 0.00 H new ATOM 0 HA ASP A 54 1.261 -10.192 9.162 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.392 -12.310 10.612 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.351 -12.368 10.440 1.00 0.00 H new ATOM 836 N LEU A 55 -0.513 -11.598 7.083 1.00 0.00 N ATOM 837 CA LEU A 55 -0.563 -12.426 5.881 1.00 0.00 C ATOM 838 C LEU A 55 0.211 -11.782 4.725 1.00 0.00 C ATOM 839 O LEU A 55 0.605 -12.468 3.781 1.00 0.00 O ATOM 840 CB LEU A 55 -2.020 -12.694 5.473 1.00 0.00 C ATOM 841 CG LEU A 55 -2.731 -11.550 4.744 1.00 0.00 C ATOM 842 CD1 LEU A 55 -2.429 -11.590 3.256 1.00 0.00 C ATOM 843 CD2 LEU A 55 -4.232 -11.620 4.980 1.00 0.00 C ATOM 0 H LEU A 55 -1.244 -10.889 7.141 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.084 -13.378 6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.042 -13.576 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.589 -12.937 6.370 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.359 -10.607 5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.944 -10.769 2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.355 -11.492 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.771 -12.538 2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.722 -10.800 4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.615 -12.570 4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.437 -11.541 6.048 1.00 0.00 H new ATOM 855 N LEU A 56 0.433 -10.466 4.804 1.00 0.00 N ATOM 856 CA LEU A 56 1.162 -9.747 3.758 1.00 0.00 C ATOM 857 C LEU A 56 2.566 -9.356 4.204 1.00 0.00 C ATOM 858 O LEU A 56 3.524 -9.521 3.452 1.00 0.00 O ATOM 859 CB LEU A 56 0.409 -8.488 3.313 1.00 0.00 C ATOM 860 CG LEU A 56 -0.204 -7.637 4.431 1.00 0.00 C ATOM 861 CD1 LEU A 56 -0.368 -6.196 3.972 1.00 0.00 C ATOM 862 CD2 LEU A 56 -1.542 -8.208 4.876 1.00 0.00 C ATOM 0 H LEU A 56 0.119 -9.881 5.578 1.00 0.00 H new ATOM 0 HA LEU A 56 1.242 -10.435 2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.095 -7.862 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.389 -8.788 2.634 1.00 0.00 H new ATOM 0 HG LEU A 56 0.474 -7.656 5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.804 -5.605 4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.606 -5.785 3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.024 -6.164 3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.957 -7.587 5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.230 -8.224 4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.399 -9.223 5.247 1.00 0.00 H new ATOM 874 N VAL A 57 2.683 -8.819 5.417 1.00 0.00 N ATOM 875 CA VAL A 57 3.980 -8.390 5.938 1.00 0.00 C ATOM 876 C VAL A 57 5.020 -9.498 5.852 1.00 0.00 C ATOM 877 O VAL A 57 4.695 -10.685 5.930 1.00 0.00 O ATOM 878 CB VAL A 57 3.893 -7.908 7.401 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.240 -6.535 7.471 1.00 0.00 C ATOM 880 CG2 VAL A 57 3.146 -8.916 8.265 1.00 0.00 C ATOM 0 H VAL A 57 1.901 -8.671 6.054 1.00 0.00 H new ATOM 0 HA VAL A 57 4.286 -7.555 5.308 1.00 0.00 H new ATOM 0 HB VAL A 57 4.906 -7.823 7.794 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.187 -6.210 8.510 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.831 -5.821 6.898 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.234 -6.589 7.056 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.099 -8.552 9.291 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.135 -9.047 7.880 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.669 -9.872 8.243 1.00 0.00 H new ATOM 890 N ASP A 58 6.274 -9.093 5.693 1.00 0.00 N ATOM 891 CA ASP A 58 7.385 -10.034 5.598 1.00 0.00 C ATOM 892 C ASP A 58 7.568 -10.782 6.916 1.00 0.00 C ATOM 893 O ASP A 58 7.442 -12.005 6.968 1.00 0.00 O ATOM 894 CB ASP A 58 8.674 -9.298 5.228 1.00 0.00 C ATOM 895 CG ASP A 58 9.815 -10.251 4.931 1.00 0.00 C ATOM 896 OD1 ASP A 58 10.439 -10.746 5.893 1.00 0.00 O ATOM 897 OD2 ASP A 58 10.084 -10.500 3.738 1.00 0.00 O ATOM 0 H ASP A 58 6.549 -8.113 5.627 1.00 0.00 H new ATOM 0 HA ASP A 58 7.156 -10.758 4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.493 -8.668 4.357 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.960 -8.636 6.046 1.00 0.00 H new ATOM 902 N GLN A 59 7.858 -10.032 7.978 1.00 0.00 N ATOM 903 CA GLN A 59 8.049 -10.616 9.302 1.00 0.00 C ATOM 904 C GLN A 59 8.088 -9.539 10.383 1.00 0.00 C ATOM 905 O GLN A 59 7.464 -9.683 11.435 1.00 0.00 O ATOM 906 CB GLN A 59 9.335 -11.451 9.347 1.00 0.00 C ATOM 907 CG GLN A 59 9.145 -12.828 9.970 1.00 0.00 C ATOM 908 CD GLN A 59 10.458 -13.538 10.245 1.00 0.00 C ATOM 909 OE1 GLN A 59 10.771 -14.552 9.620 1.00 0.00 O ATOM 910 NE2 GLN A 59 11.236 -13.015 11.188 1.00 0.00 N ATOM 0 H GLN A 59 7.966 -9.018 7.946 1.00 0.00 H new ATOM 0 HA GLN A 59 7.198 -11.268 9.499 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.717 -11.569 8.333 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.092 -10.907 9.912 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.591 -12.726 10.903 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.538 -13.442 9.304 1.00 0.00 H new ATOM 0 HE21 GLN A 59 10.941 -12.174 11.684 1.00 0.00 H new ATOM 0 HE22 GLN A 59 12.127 -13.455 11.416 1.00 0.00 H new ATOM 919 N THR A 60 8.820 -8.460 10.116 1.00 0.00 N ATOM 920 CA THR A 60 8.936 -7.357 11.065 1.00 0.00 C ATOM 921 C THR A 60 7.713 -6.431 11.008 1.00 0.00 C ATOM 922 O THR A 60 7.684 -5.397 11.678 1.00 0.00 O ATOM 923 CB THR A 60 10.215 -6.559 10.787 1.00 0.00 C ATOM 924 OG1 THR A 60 10.353 -6.294 9.401 1.00 0.00 O ATOM 925 CG2 THR A 60 11.475 -7.267 11.244 1.00 0.00 C ATOM 0 H THR A 60 9.342 -8.327 9.250 1.00 0.00 H new ATOM 0 HA THR A 60 8.984 -7.782 12.068 1.00 0.00 H new ATOM 0 HB THR A 60 10.106 -5.636 11.357 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.174 -5.783 9.246 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.343 -6.648 11.017 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.425 -7.442 12.319 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.565 -8.221 10.725 1.00 0.00 H new ATOM 933 N GLY A 61 6.707 -6.799 10.205 1.00 0.00 N ATOM 934 CA GLY A 61 5.513 -5.980 10.084 1.00 0.00 C ATOM 935 C GLY A 61 5.813 -4.595 9.536 1.00 0.00 C ATOM 936 O GLY A 61 5.034 -3.662 9.729 1.00 0.00 O ATOM 0 H GLY A 61 6.702 -7.648 9.640 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.798 -6.479 9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.040 -5.886 11.061 1.00 0.00 H new ATOM 940 N GLN A 62 6.951 -4.467 8.852 1.00 0.00 N ATOM 941 CA GLN A 62 7.368 -3.192 8.270 1.00 0.00 C ATOM 942 C GLN A 62 7.340 -3.263 6.745 1.00 0.00 C ATOM 943 O GLN A 62 6.912 -2.320 6.078 1.00 0.00 O ATOM 944 CB GLN A 62 8.773 -2.818 8.758 1.00 0.00 C ATOM 945 CG GLN A 62 9.032 -1.318 8.791 1.00 0.00 C ATOM 946 CD GLN A 62 8.383 -0.633 9.983 1.00 0.00 C ATOM 947 OE1 GLN A 62 7.360 -1.089 10.494 1.00 0.00 O ATOM 948 NE2 GLN A 62 8.975 0.468 10.433 1.00 0.00 N ATOM 0 H GLN A 62 7.602 -5.235 8.687 1.00 0.00 H new ATOM 0 HA GLN A 62 6.668 -2.421 8.593 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.921 -3.225 9.758 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.511 -3.291 8.110 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.107 -1.140 8.817 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.657 -0.869 7.871 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.822 0.813 9.981 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.583 0.968 11.231 1.00 0.00 H new ATOM 957 N THR A 63 7.795 -4.392 6.204 1.00 0.00 N ATOM 958 CA THR A 63 7.822 -4.607 4.762 1.00 0.00 C ATOM 959 C THR A 63 6.796 -5.672 4.369 1.00 0.00 C ATOM 960 O THR A 63 5.939 -6.039 5.177 1.00 0.00 O ATOM 961 CB THR A 63 9.230 -5.027 4.316 1.00 0.00 C ATOM 962 OG1 THR A 63 9.490 -6.374 4.673 1.00 0.00 O ATOM 963 CG2 THR A 63 10.329 -4.177 4.918 1.00 0.00 C ATOM 0 H THR A 63 8.152 -5.176 6.749 1.00 0.00 H new ATOM 0 HA THR A 63 7.563 -3.674 4.261 1.00 0.00 H new ATOM 0 HB THR A 63 9.239 -4.894 3.234 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.391 -6.622 4.379 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.297 -4.528 4.561 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.188 -3.137 4.622 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.294 -4.253 6.005 1.00 0.00 H new ATOM 971 N LEU A 64 6.882 -6.166 3.137 1.00 0.00 N ATOM 972 CA LEU A 64 5.957 -7.188 2.658 1.00 0.00 C ATOM 973 C LEU A 64 6.686 -8.498 2.375 1.00 0.00 C ATOM 974 O LEU A 64 7.886 -8.505 2.093 1.00 0.00 O ATOM 975 CB LEU A 64 5.239 -6.710 1.396 1.00 0.00 C ATOM 976 CG LEU A 64 3.994 -5.844 1.628 1.00 0.00 C ATOM 977 CD1 LEU A 64 3.155 -5.785 0.363 1.00 0.00 C ATOM 978 CD2 LEU A 64 3.164 -6.379 2.789 1.00 0.00 C ATOM 0 H LEU A 64 7.581 -5.876 2.454 1.00 0.00 H new ATOM 0 HA LEU A 64 5.220 -7.365 3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.946 -6.143 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.948 -7.583 0.812 1.00 0.00 H new ATOM 0 HG LEU A 64 4.322 -4.836 1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.274 -5.168 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.745 -5.353 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.843 -6.792 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.288 -5.747 2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.844 -7.398 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.765 -6.376 3.698 1.00 0.00 H new ATOM 990 N ARG A 65 5.950 -9.603 2.450 1.00 0.00 N ATOM 991 CA ARG A 65 6.520 -10.925 2.201 1.00 0.00 C ATOM 992 C ARG A 65 6.713 -11.167 0.704 1.00 0.00 C ATOM 993 O ARG A 65 5.968 -10.634 -0.120 1.00 0.00 O ATOM 994 CB ARG A 65 5.620 -12.013 2.797 1.00 0.00 C ATOM 995 CG ARG A 65 4.233 -12.070 2.170 1.00 0.00 C ATOM 996 CD ARG A 65 4.074 -13.286 1.270 1.00 0.00 C ATOM 997 NE ARG A 65 3.349 -14.372 1.932 1.00 0.00 N ATOM 998 CZ ARG A 65 3.328 -15.632 1.490 1.00 0.00 C ATOM 999 NH1 ARG A 65 3.987 -15.970 0.386 1.00 0.00 N ATOM 1000 NH2 ARG A 65 2.645 -16.558 2.155 1.00 0.00 N ATOM 0 H ARG A 65 4.957 -9.610 2.681 1.00 0.00 H new ATOM 0 HA ARG A 65 7.497 -10.967 2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.105 -12.981 2.674 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.518 -11.841 3.869 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.479 -12.098 2.956 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.057 -11.163 1.591 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.544 -12.998 0.362 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.058 -13.641 0.965 1.00 0.00 H new ATOM 0 HE ARG A 65 2.829 -14.153 2.782 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.513 -15.265 -0.130 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.966 -16.934 0.055 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.137 -16.306 3.003 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.629 -17.520 1.817 1.00 0.00 H new ATOM 1014 N PRO A 66 7.720 -11.984 0.332 1.00 0.00 N ATOM 1015 CA PRO A 66 8.011 -12.303 -1.073 1.00 0.00 C ATOM 1016 C PRO A 66 6.779 -12.816 -1.819 1.00 0.00 C ATOM 1017 O PRO A 66 6.114 -13.750 -1.366 1.00 0.00 O ATOM 1018 CB PRO A 66 9.070 -13.404 -0.979 1.00 0.00 C ATOM 1019 CG PRO A 66 9.730 -13.182 0.338 1.00 0.00 C ATOM 1020 CD PRO A 66 8.656 -12.660 1.253 1.00 0.00 C ATOM 0 HA PRO A 66 8.338 -11.424 -1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.618 -14.394 -1.033 1.00 0.00 H new ATOM 0 HB3 PRO A 66 9.786 -13.335 -1.798 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.155 -14.109 0.723 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.549 -12.468 0.249 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.168 -13.466 1.801 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.060 -11.970 1.994 1.00 0.00 H new ATOM 1028 N GLY A 67 6.481 -12.194 -2.958 1.00 0.00 N ATOM 1029 CA GLY A 67 5.327 -12.594 -3.749 1.00 0.00 C ATOM 1030 C GLY A 67 4.620 -11.410 -4.383 1.00 0.00 C ATOM 1031 O GLY A 67 4.268 -11.451 -5.562 1.00 0.00 O ATOM 0 H GLY A 67 7.018 -11.420 -3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.647 -13.283 -4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.625 -13.135 -3.114 1.00 0.00 H new ATOM 1035 N ILE A 68 4.413 -10.352 -3.597 1.00 0.00 N ATOM 1036 CA ILE A 68 3.745 -9.148 -4.085 1.00 0.00 C ATOM 1037 C ILE A 68 4.747 -8.169 -4.699 1.00 0.00 C ATOM 1038 O ILE A 68 5.858 -8.002 -4.192 1.00 0.00 O ATOM 1039 CB ILE A 68 2.974 -8.425 -2.957 1.00 0.00 C ATOM 1040 CG1 ILE A 68 2.073 -9.404 -2.201 1.00 0.00 C ATOM 1041 CG2 ILE A 68 2.155 -7.273 -3.523 1.00 0.00 C ATOM 1042 CD1 ILE A 68 1.997 -9.118 -0.718 1.00 0.00 C ATOM 0 H ILE A 68 4.699 -10.306 -2.619 1.00 0.00 H new ATOM 0 HA ILE A 68 3.038 -9.475 -4.848 1.00 0.00 H new ATOM 0 HB ILE A 68 3.701 -8.019 -2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.069 -9.365 -2.624 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.443 -10.418 -2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.619 -6.776 -2.714 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.819 -6.559 -4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.439 -7.658 -4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.343 -9.847 -0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.994 -9.185 -0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.599 -8.115 -0.561 1.00 0.00 H new ATOM 1054 N LEU A 69 4.342 -7.522 -5.791 1.00 0.00 N ATOM 1055 CA LEU A 69 5.194 -6.554 -6.475 1.00 0.00 C ATOM 1056 C LEU A 69 4.724 -5.130 -6.200 1.00 0.00 C ATOM 1057 O LEU A 69 3.774 -4.648 -6.821 1.00 0.00 O ATOM 1058 CB LEU A 69 5.203 -6.825 -7.985 1.00 0.00 C ATOM 1059 CG LEU A 69 6.474 -7.490 -8.517 1.00 0.00 C ATOM 1060 CD1 LEU A 69 6.188 -8.207 -9.828 1.00 0.00 C ATOM 1061 CD2 LEU A 69 7.580 -6.459 -8.700 1.00 0.00 C ATOM 0 H LEU A 69 3.426 -7.652 -6.221 1.00 0.00 H new ATOM 0 HA LEU A 69 6.208 -6.662 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.350 -7.458 -8.230 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.059 -5.880 -8.509 1.00 0.00 H new ATOM 0 HG LEU A 69 6.811 -8.227 -7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.102 -8.675 -10.194 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.428 -8.972 -9.666 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.828 -7.489 -10.565 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.476 -6.950 -9.079 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.255 -5.699 -9.410 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.802 -5.989 -7.742 1.00 0.00 H new ATOM 1073 N VAL A 70 5.397 -4.460 -5.266 1.00 0.00 N ATOM 1074 CA VAL A 70 5.052 -3.087 -4.909 1.00 0.00 C ATOM 1075 C VAL A 70 5.598 -2.101 -5.937 1.00 0.00 C ATOM 1076 O VAL A 70 6.746 -2.214 -6.371 1.00 0.00 O ATOM 1077 CB VAL A 70 5.583 -2.700 -3.508 1.00 0.00 C ATOM 1078 CG1 VAL A 70 4.801 -3.414 -2.416 1.00 0.00 C ATOM 1079 CG2 VAL A 70 7.074 -2.995 -3.390 1.00 0.00 C ATOM 0 H VAL A 70 6.183 -4.846 -4.744 1.00 0.00 H new ATOM 0 HA VAL A 70 3.963 -3.036 -4.894 1.00 0.00 H new ATOM 0 HB VAL A 70 5.441 -1.627 -3.379 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.193 -3.126 -1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.749 -3.136 -2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.900 -4.492 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.423 -2.714 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.248 -4.059 -3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.619 -2.423 -4.141 1.00 0.00 H new ATOM 1089 N LEU A 71 4.766 -1.139 -6.328 1.00 0.00 N ATOM 1090 CA LEU A 71 5.162 -0.131 -7.309 1.00 0.00 C ATOM 1091 C LEU A 71 4.924 1.277 -6.773 1.00 0.00 C ATOM 1092 O LEU A 71 3.922 1.532 -6.100 1.00 0.00 O ATOM 1093 CB LEU A 71 4.388 -0.320 -8.618 1.00 0.00 C ATOM 1094 CG LEU A 71 4.126 -1.772 -9.025 1.00 0.00 C ATOM 1095 CD1 LEU A 71 2.983 -1.837 -10.025 1.00 0.00 C ATOM 1096 CD2 LEU A 71 5.387 -2.407 -9.601 1.00 0.00 C ATOM 0 H LEU A 71 3.813 -1.036 -5.980 1.00 0.00 H new ATOM 0 HA LEU A 71 6.227 -0.257 -7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.430 0.193 -8.531 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.940 0.170 -9.420 1.00 0.00 H new ATOM 0 HG LEU A 71 3.842 -2.337 -8.137 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.805 -2.875 -10.308 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.081 -1.424 -9.574 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.242 -1.259 -10.912 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.178 -3.439 -9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.707 -1.848 -10.480 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.178 -2.389 -8.852 1.00 0.00 H new ATOM 1108 N VAL A 72 5.848 2.188 -7.073 1.00 0.00 N ATOM 1109 CA VAL A 72 5.738 3.575 -6.626 1.00 0.00 C ATOM 1110 C VAL A 72 5.791 4.533 -7.816 1.00 0.00 C ATOM 1111 O VAL A 72 6.789 4.579 -8.540 1.00 0.00 O ATOM 1112 CB VAL A 72 6.859 3.937 -5.630 1.00 0.00 C ATOM 1113 CG1 VAL A 72 6.695 5.364 -5.125 1.00 0.00 C ATOM 1114 CG2 VAL A 72 6.881 2.954 -4.466 1.00 0.00 C ATOM 0 H VAL A 72 6.683 1.990 -7.625 1.00 0.00 H new ATOM 0 HA VAL A 72 4.777 3.676 -6.122 1.00 0.00 H new ATOM 0 HB VAL A 72 7.813 3.870 -6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.497 5.596 -4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.737 6.055 -5.967 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.733 5.464 -4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.678 3.226 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.924 2.985 -3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.057 1.947 -4.844 1.00 0.00 H new ATOM 1124 N ASN A 73 4.708 5.289 -8.013 1.00 0.00 N ATOM 1125 CA ASN A 73 4.613 6.248 -9.117 1.00 0.00 C ATOM 1126 C ASN A 73 4.833 5.564 -10.470 1.00 0.00 C ATOM 1127 O ASN A 73 5.359 6.172 -11.405 1.00 0.00 O ATOM 1128 CB ASN A 73 5.632 7.380 -8.930 1.00 0.00 C ATOM 1129 CG ASN A 73 5.109 8.484 -8.030 1.00 0.00 C ATOM 1130 OD1 ASN A 73 4.233 9.255 -8.421 1.00 0.00 O ATOM 1131 ND2 ASN A 73 5.643 8.566 -6.816 1.00 0.00 N ATOM 0 H ASN A 73 3.880 5.255 -7.418 1.00 0.00 H new ATOM 0 HA ASN A 73 3.607 6.667 -9.108 1.00 0.00 H new ATOM 0 HB2 ASN A 73 6.550 6.973 -8.506 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.889 7.799 -9.903 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.329 9.289 -6.168 1.00 0.00 H new ATOM 0 HD22 ASN A 73 6.367 7.906 -6.532 1.00 0.00 H new ATOM 1138 N SER A 74 4.429 4.293 -10.570 1.00 0.00 N ATOM 1139 CA SER A 74 4.587 3.526 -11.804 1.00 0.00 C ATOM 1140 C SER A 74 6.050 3.519 -12.267 1.00 0.00 C ATOM 1141 O SER A 74 6.334 3.544 -13.466 1.00 0.00 O ATOM 1142 CB SER A 74 3.681 4.104 -12.900 1.00 0.00 C ATOM 1143 OG SER A 74 3.139 3.078 -13.714 1.00 0.00 O ATOM 0 H SER A 74 3.990 3.776 -9.808 1.00 0.00 H new ATOM 0 HA SER A 74 4.294 2.495 -11.607 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.872 4.674 -12.443 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.251 4.798 -13.517 1.00 0.00 H new ATOM 0 HG SER A 74 2.565 3.475 -14.402 1.00 0.00 H new ATOM 1149 N CYS A 75 6.977 3.482 -11.308 1.00 0.00 N ATOM 1150 CA CYS A 75 8.404 3.473 -11.619 1.00 0.00 C ATOM 1151 C CYS A 75 9.166 2.556 -10.661 1.00 0.00 C ATOM 1152 O CYS A 75 10.291 2.861 -10.257 1.00 0.00 O ATOM 1153 CB CYS A 75 8.962 4.897 -11.550 1.00 0.00 C ATOM 1154 SG CYS A 75 10.583 5.093 -12.325 1.00 0.00 S ATOM 0 H CYS A 75 6.763 3.458 -10.311 1.00 0.00 H new ATOM 0 HA CYS A 75 8.535 3.088 -12.630 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.257 5.576 -12.030 1.00 0.00 H new ATOM 0 HB3 CYS A 75 9.032 5.198 -10.505 1.00 0.00 H new ATOM 0 HG CYS A 75 11.403 4.204 -11.847 1.00 0.00 H new ATOM 1160 N ASP A 76 8.542 1.429 -10.304 1.00 0.00 N ATOM 1161 CA ASP A 76 9.140 0.450 -9.397 1.00 0.00 C ATOM 1162 C ASP A 76 9.278 1.012 -7.983 1.00 0.00 C ATOM 1163 O ASP A 76 9.727 2.142 -7.785 1.00 0.00 O ATOM 1164 CB ASP A 76 10.507 -0.010 -9.911 1.00 0.00 C ATOM 1165 CG ASP A 76 10.497 -0.352 -11.390 1.00 0.00 C ATOM 1166 OD1 ASP A 76 9.500 -0.939 -11.862 1.00 0.00 O ATOM 1167 OD2 ASP A 76 11.490 -0.033 -12.077 1.00 0.00 O ATOM 0 H ASP A 76 7.612 1.172 -10.635 1.00 0.00 H new ATOM 0 HA ASP A 76 8.470 -0.409 -9.362 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.241 0.775 -9.730 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.828 -0.883 -9.343 1.00 0.00 H new ATOM 1172 N ALA A 77 8.893 0.203 -6.999 1.00 0.00 N ATOM 1173 CA ALA A 77 8.973 0.602 -5.598 1.00 0.00 C ATOM 1174 C ALA A 77 10.367 0.347 -5.023 1.00 0.00 C ATOM 1175 O ALA A 77 10.755 0.976 -4.041 1.00 0.00 O ATOM 1176 CB ALA A 77 7.928 -0.138 -4.778 1.00 0.00 C ATOM 0 H ALA A 77 8.522 -0.735 -7.148 1.00 0.00 H new ATOM 0 HA ALA A 77 8.777 1.673 -5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.999 0.170 -3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.934 0.097 -5.158 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.101 -1.212 -4.852 1.00 0.00 H new ATOM 1182 N GLU A 78 11.116 -0.573 -5.639 1.00 0.00 N ATOM 1183 CA GLU A 78 12.463 -0.897 -5.176 1.00 0.00 C ATOM 1184 C GLU A 78 13.459 0.168 -5.617 1.00 0.00 C ATOM 1185 O GLU A 78 14.429 0.450 -4.912 1.00 0.00 O ATOM 1186 CB GLU A 78 12.902 -2.274 -5.695 1.00 0.00 C ATOM 1187 CG GLU A 78 12.959 -2.378 -7.215 1.00 0.00 C ATOM 1188 CD GLU A 78 12.558 -3.751 -7.726 1.00 0.00 C ATOM 1189 OE1 GLU A 78 11.487 -4.250 -7.316 1.00 0.00 O ATOM 1190 OE2 GLU A 78 13.312 -4.326 -8.539 1.00 0.00 O ATOM 0 H GLU A 78 10.811 -1.103 -6.456 1.00 0.00 H new ATOM 0 HA GLU A 78 12.443 -0.925 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.886 -2.506 -5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.214 -3.029 -5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.301 -1.626 -7.651 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.970 -2.151 -7.553 1.00 0.00 H new ATOM 1197 N VAL A 79 13.214 0.762 -6.784 1.00 0.00 N ATOM 1198 CA VAL A 79 14.094 1.794 -7.307 1.00 0.00 C ATOM 1199 C VAL A 79 14.005 3.072 -6.474 1.00 0.00 C ATOM 1200 O VAL A 79 15.024 3.697 -6.178 1.00 0.00 O ATOM 1201 CB VAL A 79 13.783 2.123 -8.782 1.00 0.00 C ATOM 1202 CG1 VAL A 79 14.809 3.099 -9.335 1.00 0.00 C ATOM 1203 CG2 VAL A 79 13.741 0.852 -9.622 1.00 0.00 C ATOM 0 H VAL A 79 12.415 0.544 -7.380 1.00 0.00 H new ATOM 0 HA VAL A 79 15.107 1.396 -7.247 1.00 0.00 H new ATOM 0 HB VAL A 79 12.800 2.592 -8.830 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.576 3.321 -10.376 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.785 4.021 -8.753 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.803 2.656 -9.272 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.520 1.108 -10.658 1.00 0.00 H new ATOM 0 HG22 VAL A 79 14.707 0.350 -9.570 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.966 0.188 -9.239 1.00 0.00 H new ATOM 1213 N VAL A 80 12.783 3.456 -6.092 1.00 0.00 N ATOM 1214 CA VAL A 80 12.577 4.662 -5.286 1.00 0.00 C ATOM 1215 C VAL A 80 13.138 4.496 -3.872 1.00 0.00 C ATOM 1216 O VAL A 80 13.587 5.467 -3.260 1.00 0.00 O ATOM 1217 CB VAL A 80 11.086 5.054 -5.197 1.00 0.00 C ATOM 1218 CG1 VAL A 80 10.588 5.579 -6.535 1.00 0.00 C ATOM 1219 CG2 VAL A 80 10.236 3.880 -4.723 1.00 0.00 C ATOM 0 H VAL A 80 11.927 2.953 -6.326 1.00 0.00 H new ATOM 0 HA VAL A 80 13.117 5.461 -5.794 1.00 0.00 H new ATOM 0 HB VAL A 80 10.991 5.852 -4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.535 5.850 -6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.167 6.458 -6.819 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.704 4.806 -7.295 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.191 4.185 -4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.337 3.051 -5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.572 3.563 -3.736 1.00 0.00 H new ATOM 1229 N GLY A 81 13.113 3.262 -3.361 1.00 0.00 N ATOM 1230 CA GLY A 81 13.627 2.999 -2.025 1.00 0.00 C ATOM 1231 C GLY A 81 12.815 1.966 -1.260 1.00 0.00 C ATOM 1232 O GLY A 81 12.560 2.140 -0.070 1.00 0.00 O ATOM 0 H GLY A 81 12.747 2.444 -3.848 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.659 2.656 -2.101 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.642 3.931 -1.459 1.00 0.00 H new ATOM 1236 N GLY A 82 12.410 0.888 -1.938 1.00 0.00 N ATOM 1237 CA GLY A 82 11.628 -0.161 -1.295 1.00 0.00 C ATOM 1238 C GLY A 82 10.469 0.382 -0.475 1.00 0.00 C ATOM 1239 O GLY A 82 9.580 1.047 -1.008 1.00 0.00 O ATOM 0 H GLY A 82 12.611 0.723 -2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.241 -0.838 -2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.280 -0.748 -0.648 1.00 0.00 H new ATOM 1243 N MET A 83 10.491 0.103 0.829 1.00 0.00 N ATOM 1244 CA MET A 83 9.446 0.573 1.738 1.00 0.00 C ATOM 1245 C MET A 83 9.917 1.794 2.538 1.00 0.00 C ATOM 1246 O MET A 83 9.433 2.047 3.643 1.00 0.00 O ATOM 1247 CB MET A 83 9.022 -0.553 2.692 1.00 0.00 C ATOM 1248 CG MET A 83 10.169 -1.133 3.508 1.00 0.00 C ATOM 1249 SD MET A 83 10.023 -0.777 5.270 1.00 0.00 S ATOM 1250 CE MET A 83 11.586 0.042 5.583 1.00 0.00 C ATOM 0 H MET A 83 11.222 -0.447 1.279 1.00 0.00 H new ATOM 0 HA MET A 83 8.587 0.871 1.137 1.00 0.00 H new ATOM 0 HB2 MET A 83 8.261 -0.172 3.373 1.00 0.00 H new ATOM 0 HB3 MET A 83 8.560 -1.353 2.113 1.00 0.00 H new ATOM 0 HG2 MET A 83 10.203 -2.213 3.362 1.00 0.00 H new ATOM 0 HG3 MET A 83 11.112 -0.731 3.138 1.00 0.00 H new ATOM 0 HE1 MET A 83 11.645 0.324 6.634 1.00 0.00 H new ATOM 0 HE2 MET A 83 12.406 -0.635 5.342 1.00 0.00 H new ATOM 0 HE3 MET A 83 11.659 0.936 4.963 1.00 0.00 H new ATOM 1260 N ASP A 84 10.863 2.550 1.972 1.00 0.00 N ATOM 1261 CA ASP A 84 11.396 3.736 2.631 1.00 0.00 C ATOM 1262 C ASP A 84 11.164 4.994 1.789 1.00 0.00 C ATOM 1263 O ASP A 84 11.883 5.987 1.933 1.00 0.00 O ATOM 1264 CB ASP A 84 12.895 3.550 2.895 1.00 0.00 C ATOM 1265 CG ASP A 84 13.324 4.087 4.248 1.00 0.00 C ATOM 1266 OD1 ASP A 84 13.080 5.281 4.519 1.00 0.00 O ATOM 1267 OD2 ASP A 84 13.905 3.313 5.035 1.00 0.00 O ATOM 0 H ASP A 84 11.273 2.358 1.058 1.00 0.00 H new ATOM 0 HA ASP A 84 10.871 3.865 3.577 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.141 2.490 2.835 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.463 4.054 2.113 1.00 0.00 H new ATOM 1272 N TYR A 85 10.159 4.956 0.909 1.00 0.00 N ATOM 1273 CA TYR A 85 9.850 6.103 0.060 1.00 0.00 C ATOM 1274 C TYR A 85 8.786 6.988 0.700 1.00 0.00 C ATOM 1275 O TYR A 85 7.736 6.505 1.129 1.00 0.00 O ATOM 1276 CB TYR A 85 9.383 5.643 -1.323 1.00 0.00 C ATOM 1277 CG TYR A 85 9.333 6.759 -2.343 1.00 0.00 C ATOM 1278 CD1 TYR A 85 10.480 7.467 -2.686 1.00 0.00 C ATOM 1279 CD2 TYR A 85 8.140 7.109 -2.962 1.00 0.00 C ATOM 1280 CE1 TYR A 85 10.438 8.486 -3.615 1.00 0.00 C ATOM 1281 CE2 TYR A 85 8.089 8.129 -3.893 1.00 0.00 C ATOM 1282 CZ TYR A 85 9.241 8.815 -4.216 1.00 0.00 C ATOM 1283 OH TYR A 85 9.196 9.831 -5.142 1.00 0.00 O ATOM 0 H TYR A 85 9.552 4.149 0.769 1.00 0.00 H new ATOM 0 HA TYR A 85 10.764 6.687 -0.053 1.00 0.00 H new ATOM 0 HB2 TYR A 85 10.052 4.862 -1.683 1.00 0.00 H new ATOM 0 HB3 TYR A 85 8.392 5.198 -1.234 1.00 0.00 H new ATOM 0 HD1 TYR A 85 11.420 7.215 -2.217 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.236 6.574 -2.711 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.339 9.024 -3.871 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.153 8.387 -4.365 1.00 0.00 H new ATOM 0 HH TYR A 85 8.278 9.934 -5.470 1.00 0.00 H new ATOM 1293 N VAL A 86 9.067 8.288 0.753 1.00 0.00 N ATOM 1294 CA VAL A 86 8.139 9.254 1.333 1.00 0.00 C ATOM 1295 C VAL A 86 7.175 9.790 0.277 1.00 0.00 C ATOM 1296 O VAL A 86 7.558 10.005 -0.875 1.00 0.00 O ATOM 1297 CB VAL A 86 8.876 10.441 1.994 1.00 0.00 C ATOM 1298 CG1 VAL A 86 9.617 9.984 3.242 1.00 0.00 C ATOM 1299 CG2 VAL A 86 9.834 11.110 1.014 1.00 0.00 C ATOM 0 H VAL A 86 9.932 8.697 0.400 1.00 0.00 H new ATOM 0 HA VAL A 86 7.579 8.722 2.102 1.00 0.00 H new ATOM 0 HB VAL A 86 8.129 11.178 2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.129 10.834 3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 86 8.906 9.569 3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 86 10.348 9.221 2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.338 11.941 1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.575 10.385 0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.275 11.483 0.156 1.00 0.00 H new ATOM 1309 N LEU A 87 5.925 10.002 0.679 1.00 0.00 N ATOM 1310 CA LEU A 87 4.901 10.514 -0.229 1.00 0.00 C ATOM 1311 C LEU A 87 4.965 12.040 -0.321 1.00 0.00 C ATOM 1312 O LEU A 87 5.731 12.683 0.400 1.00 0.00 O ATOM 1313 CB LEU A 87 3.511 10.070 0.240 1.00 0.00 C ATOM 1314 CG LEU A 87 3.090 8.668 -0.212 1.00 0.00 C ATOM 1315 CD1 LEU A 87 3.952 7.606 0.456 1.00 0.00 C ATOM 1316 CD2 LEU A 87 1.616 8.431 0.089 1.00 0.00 C ATOM 0 H LEU A 87 5.596 9.827 1.628 1.00 0.00 H new ATOM 0 HA LEU A 87 5.089 10.105 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.483 10.108 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.776 10.788 -0.123 1.00 0.00 H new ATOM 0 HG LEU A 87 3.237 8.596 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.636 6.618 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.997 7.764 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.841 7.675 1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.334 7.430 -0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.444 8.524 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.013 9.169 -0.440 1.00 0.00 H new ATOM 1328 N ASN A 88 4.155 12.614 -1.213 1.00 0.00 N ATOM 1329 CA ASN A 88 4.119 14.065 -1.399 1.00 0.00 C ATOM 1330 C ASN A 88 2.678 14.571 -1.481 1.00 0.00 C ATOM 1331 O ASN A 88 2.215 15.287 -0.594 1.00 0.00 O ATOM 1332 CB ASN A 88 4.890 14.455 -2.665 1.00 0.00 C ATOM 1333 CG ASN A 88 5.544 15.822 -2.556 1.00 0.00 C ATOM 1334 OD1 ASN A 88 5.742 16.346 -1.460 1.00 0.00 O ATOM 1335 ND2 ASN A 88 5.886 16.406 -3.699 1.00 0.00 N ATOM 0 H ASN A 88 3.516 12.097 -1.817 1.00 0.00 H new ATOM 0 HA ASN A 88 4.594 14.531 -0.536 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.656 13.705 -2.864 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.209 14.449 -3.516 1.00 0.00 H new ATOM 0 HD21 ASN A 88 6.331 17.324 -3.690 1.00 0.00 H new ATOM 0 HD22 ASN A 88 5.704 15.937 -4.586 1.00 0.00 H new ATOM 1342 N ASP A 89 1.978 14.190 -2.553 1.00 0.00 N ATOM 1343 CA ASP A 89 0.586 14.598 -2.759 1.00 0.00 C ATOM 1344 C ASP A 89 0.026 13.989 -4.044 1.00 0.00 C ATOM 1345 O ASP A 89 -0.053 14.655 -5.079 1.00 0.00 O ATOM 1346 CB ASP A 89 0.464 16.126 -2.810 1.00 0.00 C ATOM 1347 CG ASP A 89 -0.835 16.623 -2.201 1.00 0.00 C ATOM 1348 OD1 ASP A 89 -1.865 15.928 -2.338 1.00 0.00 O ATOM 1349 OD2 ASP A 89 -0.823 17.708 -1.584 1.00 0.00 O ATOM 0 H ASP A 89 2.354 13.598 -3.294 1.00 0.00 H new ATOM 0 HA ASP A 89 0.005 14.230 -1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 89 1.305 16.573 -2.280 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.527 16.459 -3.846 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.359 12.719 -3.966 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.907 12.032 -5.123 1.00 0.00 C ATOM 1356 C GLY A 90 -0.011 10.912 -5.622 1.00 0.00 C ATOM 1357 O GLY A 90 0.101 10.693 -6.830 1.00 0.00 O ATOM 0 H GLY A 90 -0.301 12.152 -3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.884 11.623 -4.867 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -1.063 12.752 -5.927 1.00 0.00 H new ATOM 1361 N ASP A 91 0.625 10.200 -4.691 1.00 0.00 N ATOM 1362 CA ASP A 91 1.513 9.093 -5.041 1.00 0.00 C ATOM 1363 C ASP A 91 0.715 7.897 -5.567 1.00 0.00 C ATOM 1364 O ASP A 91 -0.517 7.905 -5.551 1.00 0.00 O ATOM 1365 CB ASP A 91 2.340 8.672 -3.821 1.00 0.00 C ATOM 1366 CG ASP A 91 3.763 8.286 -4.182 1.00 0.00 C ATOM 1367 OD1 ASP A 91 3.967 7.153 -4.665 1.00 0.00 O ATOM 1368 OD2 ASP A 91 4.673 9.119 -3.982 1.00 0.00 O ATOM 0 H ASP A 91 0.541 10.371 -3.689 1.00 0.00 H new ATOM 0 HA ASP A 91 2.184 9.433 -5.829 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.361 9.491 -3.102 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.853 7.829 -3.330 1.00 0.00 H new ATOM 1373 N THR A 92 1.427 6.870 -6.031 1.00 0.00 N ATOM 1374 CA THR A 92 0.788 5.666 -6.558 1.00 0.00 C ATOM 1375 C THR A 92 1.425 4.409 -5.972 1.00 0.00 C ATOM 1376 O THR A 92 2.602 4.133 -6.209 1.00 0.00 O ATOM 1377 CB THR A 92 0.887 5.630 -8.087 1.00 0.00 C ATOM 1378 OG1 THR A 92 0.333 6.804 -8.660 1.00 0.00 O ATOM 1379 CG2 THR A 92 0.180 4.440 -8.702 1.00 0.00 C ATOM 0 H THR A 92 2.447 6.849 -6.052 1.00 0.00 H new ATOM 0 HA THR A 92 -0.263 5.693 -6.269 1.00 0.00 H new ATOM 0 HB THR A 92 1.953 5.555 -8.304 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.409 6.759 -9.636 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.288 4.473 -9.786 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.621 3.518 -8.322 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.878 4.471 -8.441 1.00 0.00 H new ATOM 1387 N VAL A 93 0.635 3.647 -5.217 1.00 0.00 N ATOM 1388 CA VAL A 93 1.114 2.412 -4.606 1.00 0.00 C ATOM 1389 C VAL A 93 0.173 1.246 -4.915 1.00 0.00 C ATOM 1390 O VAL A 93 -1.010 1.280 -4.567 1.00 0.00 O ATOM 1391 CB VAL A 93 1.280 2.559 -3.076 1.00 0.00 C ATOM 1392 CG1 VAL A 93 -0.056 2.852 -2.403 1.00 0.00 C ATOM 1393 CG2 VAL A 93 1.922 1.309 -2.487 1.00 0.00 C ATOM 0 H VAL A 93 -0.341 3.865 -5.015 1.00 0.00 H new ATOM 0 HA VAL A 93 2.093 2.202 -5.038 1.00 0.00 H new ATOM 0 HB VAL A 93 1.939 3.406 -2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.092 2.950 -1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.467 3.781 -2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.750 2.035 -2.601 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.031 1.430 -1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.291 0.444 -2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.903 1.158 -2.937 1.00 0.00 H new ATOM 1403 N GLU A 94 0.706 0.218 -5.576 1.00 0.00 N ATOM 1404 CA GLU A 94 -0.085 -0.955 -5.938 1.00 0.00 C ATOM 1405 C GLU A 94 0.553 -2.237 -5.413 1.00 0.00 C ATOM 1406 O GLU A 94 1.779 -2.352 -5.344 1.00 0.00 O ATOM 1407 CB GLU A 94 -0.239 -1.042 -7.458 1.00 0.00 C ATOM 1408 CG GLU A 94 -0.880 0.187 -8.079 1.00 0.00 C ATOM 1409 CD GLU A 94 -0.835 0.170 -9.594 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -1.465 -0.723 -10.199 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -0.168 1.051 -10.179 1.00 0.00 O ATOM 0 H GLU A 94 1.682 0.175 -5.871 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.068 -0.847 -5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.743 -1.194 -7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.840 -1.918 -7.704 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.917 0.255 -7.751 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.372 1.080 -7.715 1.00 0.00 H new ATOM 1418 N PHE A 95 -0.293 -3.202 -5.052 1.00 0.00 N ATOM 1419 CA PHE A 95 0.171 -4.487 -4.538 1.00 0.00 C ATOM 1420 C PHE A 95 -0.350 -5.627 -5.410 1.00 0.00 C ATOM 1421 O PHE A 95 -1.529 -5.978 -5.346 1.00 0.00 O ATOM 1422 CB PHE A 95 -0.290 -4.678 -3.087 1.00 0.00 C ATOM 1423 CG PHE A 95 0.058 -3.527 -2.182 1.00 0.00 C ATOM 1424 CD1 PHE A 95 -0.659 -2.340 -2.235 1.00 0.00 C ATOM 1425 CD2 PHE A 95 1.100 -3.632 -1.277 1.00 0.00 C ATOM 1426 CE1 PHE A 95 -0.343 -1.284 -1.404 1.00 0.00 C ATOM 1427 CE2 PHE A 95 1.422 -2.579 -0.442 1.00 0.00 C ATOM 1428 CZ PHE A 95 0.700 -1.402 -0.507 1.00 0.00 C ATOM 0 H PHE A 95 -1.308 -3.115 -5.107 1.00 0.00 H new ATOM 0 HA PHE A 95 1.261 -4.497 -4.563 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.370 -4.824 -3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.159 -5.589 -2.690 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.475 -2.241 -2.936 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.669 -4.549 -1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.911 -0.367 -1.455 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.237 -2.676 0.260 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.951 -0.576 0.142 1.00 0.00 H new ATOM 1438 N ILE A 96 0.532 -6.197 -6.232 1.00 0.00 N ATOM 1439 CA ILE A 96 0.158 -7.293 -7.125 1.00 0.00 C ATOM 1440 C ILE A 96 0.917 -8.575 -6.779 1.00 0.00 C ATOM 1441 O ILE A 96 2.147 -8.609 -6.831 1.00 0.00 O ATOM 1442 CB ILE A 96 0.432 -6.931 -8.604 1.00 0.00 C ATOM 1443 CG1 ILE A 96 -0.136 -5.545 -8.930 1.00 0.00 C ATOM 1444 CG2 ILE A 96 -0.162 -7.984 -9.533 1.00 0.00 C ATOM 1445 CD1 ILE A 96 0.137 -5.096 -10.350 1.00 0.00 C ATOM 0 H ILE A 96 1.511 -5.917 -6.297 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.910 -7.460 -6.988 1.00 0.00 H new ATOM 0 HB ILE A 96 1.511 -6.907 -8.758 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.213 -5.554 -8.762 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.288 -4.816 -8.240 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.041 -7.712 -10.569 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.287 -8.954 -9.318 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.239 -8.040 -9.377 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.294 -4.107 -10.508 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.213 -5.054 -10.518 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.311 -5.803 -11.048 1.00 0.00 H new ATOM 1457 N SER A 97 0.177 -9.628 -6.428 1.00 0.00 N ATOM 1458 CA SER A 97 0.784 -10.912 -6.076 1.00 0.00 C ATOM 1459 C SER A 97 1.001 -11.777 -7.318 1.00 0.00 C ATOM 1460 O SER A 97 0.110 -11.902 -8.160 1.00 0.00 O ATOM 1461 CB SER A 97 -0.095 -11.662 -5.071 1.00 0.00 C ATOM 1462 OG SER A 97 0.676 -12.550 -4.281 1.00 0.00 O ATOM 0 H SER A 97 -0.842 -9.617 -6.380 1.00 0.00 H new ATOM 0 HA SER A 97 1.754 -10.708 -5.622 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.606 -10.947 -4.426 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.866 -12.220 -5.603 1.00 0.00 H new ATOM 0 HG SER A 97 0.091 -13.015 -3.647 1.00 0.00 H new ATOM 1468 N THR A 98 2.189 -12.371 -7.420 1.00 0.00 N ATOM 1469 CA THR A 98 2.527 -13.227 -8.558 1.00 0.00 C ATOM 1470 C THR A 98 3.245 -14.499 -8.101 1.00 0.00 C ATOM 1471 O THR A 98 2.833 -15.607 -8.445 1.00 0.00 O ATOM 1472 CB THR A 98 3.395 -12.463 -9.566 1.00 0.00 C ATOM 1473 OG1 THR A 98 4.207 -11.502 -8.915 1.00 0.00 O ATOM 1474 CG2 THR A 98 2.587 -11.740 -10.622 1.00 0.00 C ATOM 0 H THR A 98 2.934 -12.276 -6.729 1.00 0.00 H new ATOM 0 HA THR A 98 1.596 -13.519 -9.043 1.00 0.00 H new ATOM 0 HB THR A 98 4.005 -13.225 -10.051 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.752 -11.030 -9.579 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.261 -11.220 -11.303 1.00 0.00 H new ATOM 0 HG22 THR A 98 1.991 -12.461 -11.181 1.00 0.00 H new ATOM 0 HG23 THR A 98 1.926 -11.017 -10.143 1.00 0.00 H new ATOM 1482 N LEU A 99 4.319 -14.332 -7.328 1.00 0.00 N ATOM 1483 CA LEU A 99 5.089 -15.469 -6.828 1.00 0.00 C ATOM 1484 C LEU A 99 4.444 -16.056 -5.574 1.00 0.00 C ATOM 1485 O LEU A 99 4.799 -15.696 -4.450 1.00 0.00 O ATOM 1486 CB LEU A 99 6.535 -15.046 -6.529 1.00 0.00 C ATOM 1487 CG LEU A 99 7.612 -16.065 -6.918 1.00 0.00 C ATOM 1488 CD1 LEU A 99 7.334 -17.419 -6.277 1.00 0.00 C ATOM 1489 CD2 LEU A 99 7.705 -16.197 -8.432 1.00 0.00 C ATOM 0 H LEU A 99 4.674 -13.422 -7.036 1.00 0.00 H new ATOM 0 HA LEU A 99 5.098 -16.237 -7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 99 6.738 -14.111 -7.052 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.622 -14.840 -5.462 1.00 0.00 H new ATOM 0 HG LEU A 99 8.571 -15.704 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.111 -18.126 -6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.327 -17.313 -5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.365 -17.788 -6.612 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.475 -16.925 -8.687 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.746 -16.530 -8.828 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.961 -15.231 -8.866 1.00 0.00 H new ATOM 1501 N HIS A 100 3.490 -16.964 -5.774 1.00 0.00 N ATOM 1502 CA HIS A 100 2.791 -17.604 -4.664 1.00 0.00 C ATOM 1503 C HIS A 100 3.255 -19.050 -4.491 1.00 0.00 C ATOM 1504 O HIS A 100 2.600 -19.985 -4.959 1.00 0.00 O ATOM 1505 CB HIS A 100 1.277 -17.557 -4.891 1.00 0.00 C ATOM 1506 CG HIS A 100 0.474 -17.648 -3.629 1.00 0.00 C ATOM 1507 ND1 HIS A 100 -0.728 -18.318 -3.552 1.00 0.00 N ATOM 1508 CD2 HIS A 100 0.702 -17.145 -2.391 1.00 0.00 C ATOM 1509 CE1 HIS A 100 -1.204 -18.224 -2.324 1.00 0.00 C ATOM 1510 NE2 HIS A 100 -0.356 -17.519 -1.600 1.00 0.00 N ATOM 0 H HIS A 100 3.184 -17.273 -6.697 1.00 0.00 H new ATOM 0 HA HIS A 100 3.027 -17.057 -3.751 1.00 0.00 H new ATOM 0 HB2 HIS A 100 1.025 -16.630 -5.405 1.00 0.00 H new ATOM 0 HB3 HIS A 100 0.992 -18.376 -5.552 1.00 0.00 H new ATOM 0 HD2 HIS A 100 1.556 -16.560 -2.084 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -2.131 -18.652 -1.972 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -0.468 -17.289 -0.613 1.00 0.00 H new ATOM 1519 N GLY A 101 4.391 -19.222 -3.821 1.00 0.00 N ATOM 1520 CA GLY A 101 4.931 -20.551 -3.597 1.00 0.00 C ATOM 1521 C GLY A 101 6.082 -20.550 -2.609 1.00 0.00 C ATOM 1522 O GLY A 101 6.727 -19.520 -2.400 1.00 0.00 O ATOM 0 H GLY A 101 4.948 -18.463 -3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.140 -21.204 -3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.271 -20.967 -4.546 1.00 0.00 H new ATOM 1526 N GLY A 102 6.341 -21.707 -2.000 1.00 0.00 N ATOM 1527 CA GLY A 102 7.423 -21.814 -1.035 1.00 0.00 C ATOM 1528 C GLY A 102 7.510 -23.193 -0.408 1.00 0.00 C ATOM 1529 O GLY A 102 8.289 -24.027 -0.918 1.00 0.00 O ATOM 0 H GLY A 102 5.821 -22.570 -2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.368 -21.582 -1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.281 -21.070 -0.251 1.00 0.00 H new TER 1533 GLY A 102