USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 804 hydrogens (21 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 98 HIS : no HD1:sc= -0.0297 X(o=-0.052,f=-0.0028) USER MOD Set 1.2: A 99 HIS : no HD1:sc= -0.0222 X(o=-0.052,f=-0.0021) USER MOD Set 2.1: A 28 HIS : no HD1:sc= -0.554 K(o=-0.66,f=-7.7!) USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.0257 (180deg=-0.114) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 72:sc= 0.872 USER MOD Single : A 15 THR OG1 : rot 87:sc= 1.26 USER MOD Single : A 16 CYS SG : rot -107:sc= -3.12! USER MOD Single : A 22 THR OG1 : rot -16:sc= 0.165 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0986 USER MOD Single : A 27 SER OG : rot 101:sc= 0.517 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -131:sc= 0.249 (180deg=-0.123) USER MOD Single : A 61 THR OG1 : rot 69:sc= 0.932 USER MOD Single : A 62 GLN : amide:sc= -0.0332 X(o=-0.033,f=-0.38) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 68 LYS NZ :NH3+ -139:sc= 0.911 (180deg=0.384) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= 0.492 F(o=-0.048,f=0.49) USER MOD Single : A 74 TYR OH : rot -125:sc= 0.255 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.636 X(o=-0.64,f=-0.74) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.491 K(o=-0.49,f=-1.1) USER MOD Single : A 97 HIS : no HD1:sc= -0.062 X(o=-0.062,f=0) USER MOD Single : A 100 HIS : no HD1:sc= 0.0032 X(o=0.0032,f=-0.29) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 PNS O33 : rot 164:sc= -0.156 USER MOD Single : A 102 PNS S44 : rot 180:sc= -0.754 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.130 9.730 -5.039 1.00 0.00 N ATOM 2 CA MET A 1 -13.853 8.516 -4.630 1.00 0.00 C ATOM 3 C MET A 1 -13.176 7.246 -5.202 1.00 0.00 C ATOM 4 O MET A 1 -13.832 6.211 -5.347 1.00 0.00 O ATOM 5 CB MET A 1 -15.353 8.617 -5.046 1.00 0.00 C ATOM 6 CG MET A 1 -15.608 8.677 -6.558 1.00 0.00 C ATOM 7 SD MET A 1 -17.365 8.727 -6.978 1.00 0.00 S ATOM 8 CE MET A 1 -17.307 8.718 -8.771 1.00 0.00 C ATOM 0 H1 MET A 1 -13.788 10.535 -5.061 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.367 9.925 -4.360 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.724 9.590 -5.986 1.00 0.00 H new ATOM 0 HA MET A 1 -13.814 8.433 -3.544 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.886 7.758 -4.637 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.782 9.507 -4.586 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.117 9.559 -6.969 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.152 7.808 -7.032 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.322 8.746 -9.168 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.756 9.591 -9.122 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.808 7.812 -9.114 1.00 0.00 H new ATOM 20 N THR A 2 -11.850 7.314 -5.487 1.00 0.00 N ATOM 21 CA THR A 2 -11.084 6.173 -6.040 1.00 0.00 C ATOM 22 C THR A 2 -10.657 5.203 -4.902 1.00 0.00 C ATOM 23 O THR A 2 -9.478 5.101 -4.568 1.00 0.00 O ATOM 24 CB THR A 2 -9.834 6.669 -6.859 1.00 0.00 C ATOM 25 OG1 THR A 2 -10.216 7.736 -7.738 1.00 0.00 O ATOM 26 CG2 THR A 2 -9.184 5.542 -7.699 1.00 0.00 C ATOM 0 H THR A 2 -11.289 8.153 -5.341 1.00 0.00 H new ATOM 0 HA THR A 2 -11.732 5.630 -6.728 1.00 0.00 H new ATOM 0 HB THR A 2 -9.099 7.012 -6.130 1.00 0.00 H new ATOM 0 HG1 THR A 2 -9.433 8.040 -8.243 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.328 5.941 -8.242 1.00 0.00 H new ATOM 0 HG22 THR A 2 -8.853 4.740 -7.038 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.913 5.150 -8.408 1.00 0.00 H new ATOM 34 N SER A 3 -11.677 4.559 -4.293 1.00 0.00 N ATOM 35 CA SER A 3 -11.590 3.564 -3.183 1.00 0.00 C ATOM 36 C SER A 3 -10.294 3.607 -2.318 1.00 0.00 C ATOM 37 O SER A 3 -10.235 4.368 -1.345 1.00 0.00 O ATOM 38 CB SER A 3 -11.866 2.155 -3.740 1.00 0.00 C ATOM 39 OG SER A 3 -13.089 2.120 -4.456 1.00 0.00 O ATOM 0 H SER A 3 -12.643 4.724 -4.574 1.00 0.00 H new ATOM 0 HA SER A 3 -12.361 3.851 -2.468 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.049 1.853 -4.395 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.900 1.437 -2.921 1.00 0.00 H new ATOM 0 HG SER A 3 -13.240 1.215 -4.801 1.00 0.00 H new ATOM 45 N THR A 4 -9.247 2.832 -2.715 1.00 0.00 N ATOM 46 CA THR A 4 -7.994 2.690 -1.936 1.00 0.00 C ATOM 47 C THR A 4 -7.191 3.998 -1.963 1.00 0.00 C ATOM 48 O THR A 4 -6.746 4.462 -0.912 1.00 0.00 O ATOM 49 CB THR A 4 -7.111 1.523 -2.477 1.00 0.00 C ATOM 50 OG1 THR A 4 -7.867 0.305 -2.451 1.00 0.00 O ATOM 51 CG2 THR A 4 -5.815 1.328 -1.668 1.00 0.00 C ATOM 0 H THR A 4 -9.252 2.292 -3.581 1.00 0.00 H new ATOM 0 HA THR A 4 -8.275 2.459 -0.909 1.00 0.00 H new ATOM 0 HB THR A 4 -6.823 1.784 -3.495 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.315 -0.430 -2.792 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.243 0.503 -2.091 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.220 2.240 -1.708 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.064 1.103 -0.631 1.00 0.00 H new ATOM 59 N PHE A 5 -7.042 4.594 -3.172 1.00 0.00 N ATOM 60 CA PHE A 5 -6.373 5.904 -3.346 1.00 0.00 C ATOM 61 C PHE A 5 -7.071 6.971 -2.499 1.00 0.00 C ATOM 62 O PHE A 5 -6.413 7.798 -1.899 1.00 0.00 O ATOM 63 CB PHE A 5 -6.328 6.359 -4.848 1.00 0.00 C ATOM 64 CG PHE A 5 -6.095 7.874 -5.010 1.00 0.00 C ATOM 65 CD1 PHE A 5 -4.851 8.448 -4.746 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.159 8.737 -5.313 1.00 0.00 C ATOM 67 CE1 PHE A 5 -4.683 9.816 -4.791 1.00 0.00 C ATOM 68 CE2 PHE A 5 -6.975 10.103 -5.369 1.00 0.00 C ATOM 69 CZ PHE A 5 -5.742 10.635 -5.103 1.00 0.00 C ATOM 0 H PHE A 5 -7.378 4.184 -4.043 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.343 5.784 -3.011 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.534 5.818 -5.363 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.266 6.087 -5.333 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.011 7.814 -4.504 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.139 8.325 -5.506 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.715 10.246 -4.580 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.801 10.751 -5.622 1.00 0.00 H new ATOM 0 HZ PHE A 5 -5.600 11.705 -5.139 1.00 0.00 H new ATOM 79 N ASP A 6 -8.403 6.929 -2.480 1.00 0.00 N ATOM 80 CA ASP A 6 -9.236 7.929 -1.798 1.00 0.00 C ATOM 81 C ASP A 6 -8.971 7.903 -0.273 1.00 0.00 C ATOM 82 O ASP A 6 -8.947 8.956 0.382 1.00 0.00 O ATOM 83 CB ASP A 6 -10.721 7.666 -2.126 1.00 0.00 C ATOM 84 CG ASP A 6 -11.650 8.789 -1.655 1.00 0.00 C ATOM 85 OD1 ASP A 6 -11.574 9.907 -2.205 1.00 0.00 O ATOM 86 OD2 ASP A 6 -12.467 8.571 -0.739 1.00 0.00 O ATOM 0 H ASP A 6 -8.942 6.196 -2.940 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.978 8.927 -2.153 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.832 7.539 -3.203 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.029 6.729 -1.661 1.00 0.00 H new ATOM 91 N ARG A 7 -8.746 6.683 0.260 1.00 0.00 N ATOM 92 CA ARG A 7 -8.323 6.466 1.664 1.00 0.00 C ATOM 93 C ARG A 7 -6.911 7.040 1.901 1.00 0.00 C ATOM 94 O ARG A 7 -6.682 7.753 2.871 1.00 0.00 O ATOM 95 CB ARG A 7 -8.333 4.954 2.006 1.00 0.00 C ATOM 96 CG ARG A 7 -9.696 4.254 1.828 1.00 0.00 C ATOM 97 CD ARG A 7 -10.806 4.869 2.691 1.00 0.00 C ATOM 98 NE ARG A 7 -12.092 4.162 2.520 1.00 0.00 N ATOM 99 CZ ARG A 7 -13.039 4.032 3.460 1.00 0.00 C ATOM 100 NH1 ARG A 7 -12.845 4.513 4.687 1.00 0.00 N ATOM 101 NH2 ARG A 7 -14.168 3.397 3.169 1.00 0.00 N ATOM 0 H ARG A 7 -8.852 5.818 -0.270 1.00 0.00 H new ATOM 0 HA ARG A 7 -9.029 6.984 2.313 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.598 4.450 1.378 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.009 4.828 3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.989 4.304 0.779 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.591 3.199 2.079 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.511 4.837 3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -10.931 5.919 2.427 1.00 0.00 H new ATOM 0 HE ARG A 7 -12.275 3.737 1.611 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -11.970 4.985 4.918 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -13.571 4.410 5.396 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -14.310 3.012 2.235 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -14.893 3.294 3.879 1.00 0.00 H new ATOM 115 N VAL A 8 -5.992 6.714 0.980 1.00 0.00 N ATOM 116 CA VAL A 8 -4.580 7.165 1.014 1.00 0.00 C ATOM 117 C VAL A 8 -4.488 8.706 0.948 1.00 0.00 C ATOM 118 O VAL A 8 -3.670 9.324 1.629 1.00 0.00 O ATOM 119 CB VAL A 8 -3.777 6.506 -0.174 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.343 7.087 -0.313 1.00 0.00 C ATOM 121 CG2 VAL A 8 -3.732 4.963 -0.006 1.00 0.00 C ATOM 0 H VAL A 8 -6.205 6.122 0.177 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.137 6.847 1.958 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.306 6.747 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.832 6.601 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.401 8.159 -0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.788 6.909 0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.175 4.523 -0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.242 4.714 0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.748 4.568 -0.002 1.00 0.00 H new ATOM 131 N ALA A 9 -5.385 9.293 0.154 1.00 0.00 N ATOM 132 CA ALA A 9 -5.471 10.741 -0.082 1.00 0.00 C ATOM 133 C ALA A 9 -5.918 11.460 1.193 1.00 0.00 C ATOM 134 O ALA A 9 -5.440 12.556 1.505 1.00 0.00 O ATOM 135 CB ALA A 9 -6.447 11.023 -1.237 1.00 0.00 C ATOM 0 H ALA A 9 -6.091 8.764 -0.357 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.486 11.118 -0.357 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.507 12.098 -1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.091 10.531 -2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.435 10.640 -0.980 1.00 0.00 H new ATOM 141 N THR A 10 -6.853 10.819 1.915 1.00 0.00 N ATOM 142 CA THR A 10 -7.291 11.270 3.243 1.00 0.00 C ATOM 143 C THR A 10 -6.111 11.250 4.227 1.00 0.00 C ATOM 144 O THR A 10 -5.883 12.216 4.940 1.00 0.00 O ATOM 145 CB THR A 10 -8.450 10.374 3.781 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.508 10.308 2.817 1.00 0.00 O ATOM 147 CG2 THR A 10 -9.016 10.882 5.120 1.00 0.00 C ATOM 0 H THR A 10 -7.325 9.974 1.593 1.00 0.00 H new ATOM 0 HA THR A 10 -7.660 12.291 3.150 1.00 0.00 H new ATOM 0 HB THR A 10 -8.030 9.383 3.952 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.225 9.756 2.058 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.819 10.223 5.449 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.224 10.892 5.869 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.406 11.892 4.991 1.00 0.00 H new ATOM 155 N ILE A 11 -5.349 10.139 4.213 1.00 0.00 N ATOM 156 CA ILE A 11 -4.184 9.935 5.092 1.00 0.00 C ATOM 157 C ILE A 11 -3.132 11.048 4.889 1.00 0.00 C ATOM 158 O ILE A 11 -2.652 11.627 5.867 1.00 0.00 O ATOM 159 CB ILE A 11 -3.558 8.502 4.862 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.577 7.394 5.300 1.00 0.00 C ATOM 161 CG2 ILE A 11 -2.199 8.343 5.586 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.157 5.960 4.991 1.00 0.00 C ATOM 0 H ILE A 11 -5.527 9.354 3.587 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.523 9.992 6.126 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.357 8.386 3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.745 7.482 6.373 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.532 7.588 4.811 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.803 7.344 5.402 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.497 9.087 5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.339 8.486 6.657 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.930 5.273 5.334 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.020 5.845 3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.221 5.737 5.502 1.00 0.00 H new ATOM 174 N ILE A 12 -2.834 11.389 3.617 1.00 0.00 N ATOM 175 CA ILE A 12 -1.831 12.423 3.275 1.00 0.00 C ATOM 176 C ILE A 12 -2.323 13.815 3.725 1.00 0.00 C ATOM 177 O ILE A 12 -1.563 14.586 4.318 1.00 0.00 O ATOM 178 CB ILE A 12 -1.523 12.425 1.726 1.00 0.00 C ATOM 179 CG1 ILE A 12 -0.982 11.032 1.272 1.00 0.00 C ATOM 180 CG2 ILE A 12 -0.532 13.565 1.343 1.00 0.00 C ATOM 181 CD1 ILE A 12 -0.758 10.890 -0.223 1.00 0.00 C ATOM 0 H ILE A 12 -3.277 10.960 2.804 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.907 12.187 3.803 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.457 12.617 1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.040 10.839 1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.684 10.263 1.594 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.342 13.537 0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.966 14.529 1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.406 13.428 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.382 9.890 -0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.700 11.046 -0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.031 11.631 -0.554 1.00 0.00 H new ATOM 193 N ALA A 13 -3.603 14.103 3.431 1.00 0.00 N ATOM 194 CA ALA A 13 -4.281 15.355 3.825 1.00 0.00 C ATOM 195 C ALA A 13 -4.216 15.608 5.345 1.00 0.00 C ATOM 196 O ALA A 13 -3.839 16.701 5.788 1.00 0.00 O ATOM 197 CB ALA A 13 -5.743 15.322 3.340 1.00 0.00 C ATOM 0 H ALA A 13 -4.204 13.467 2.907 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.755 16.183 3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.244 16.246 3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.764 15.224 2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.257 14.473 3.791 1.00 0.00 H new ATOM 203 N GLU A 14 -4.557 14.570 6.128 1.00 0.00 N ATOM 204 CA GLU A 14 -4.583 14.638 7.598 1.00 0.00 C ATOM 205 C GLU A 14 -3.165 14.752 8.196 1.00 0.00 C ATOM 206 O GLU A 14 -2.984 15.383 9.243 1.00 0.00 O ATOM 207 CB GLU A 14 -5.316 13.402 8.181 1.00 0.00 C ATOM 208 CG GLU A 14 -6.797 13.256 7.756 1.00 0.00 C ATOM 209 CD GLU A 14 -7.649 14.506 8.048 1.00 0.00 C ATOM 210 OE1 GLU A 14 -7.965 14.757 9.229 1.00 0.00 O ATOM 211 OE2 GLU A 14 -7.998 15.243 7.103 1.00 0.00 O ATOM 0 H GLU A 14 -4.823 13.658 5.757 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.127 15.541 7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.777 12.504 7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.270 13.451 9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.840 13.038 6.689 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.232 12.401 8.274 1.00 0.00 H new ATOM 218 N THR A 15 -2.170 14.143 7.524 1.00 0.00 N ATOM 219 CA THR A 15 -0.772 14.128 8.000 1.00 0.00 C ATOM 220 C THR A 15 -0.080 15.473 7.718 1.00 0.00 C ATOM 221 O THR A 15 0.520 16.078 8.611 1.00 0.00 O ATOM 222 CB THR A 15 0.054 12.971 7.331 1.00 0.00 C ATOM 223 OG1 THR A 15 -0.561 11.706 7.622 1.00 0.00 O ATOM 224 CG2 THR A 15 1.518 12.931 7.816 1.00 0.00 C ATOM 0 H THR A 15 -2.310 13.650 6.642 1.00 0.00 H new ATOM 0 HA THR A 15 -0.805 13.957 9.076 1.00 0.00 H new ATOM 0 HB THR A 15 0.060 13.165 6.258 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.256 11.519 6.956 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.043 12.113 7.322 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.007 13.875 7.574 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.540 12.777 8.895 1.00 0.00 H new ATOM 232 N CYS A 16 -0.225 15.959 6.480 1.00 0.00 N ATOM 233 CA CYS A 16 0.671 16.976 5.898 1.00 0.00 C ATOM 234 C CYS A 16 -0.020 18.336 5.698 1.00 0.00 C ATOM 235 O CYS A 16 0.664 19.304 5.344 1.00 0.00 O ATOM 236 CB CYS A 16 1.204 16.439 4.550 1.00 0.00 C ATOM 237 SG CYS A 16 2.013 14.839 4.686 1.00 0.00 S ATOM 0 H CYS A 16 -0.968 15.660 5.848 1.00 0.00 H new ATOM 0 HA CYS A 16 1.489 17.152 6.596 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.375 16.360 3.846 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.908 17.159 4.134 1.00 0.00 H new ATOM 0 HG CYS A 16 3.298 14.990 4.556 1.00 0.00 H new ATOM 243 N ASP A 17 -1.355 18.402 5.927 1.00 0.00 N ATOM 244 CA ASP A 17 -2.169 19.636 5.736 1.00 0.00 C ATOM 245 C ASP A 17 -2.196 20.072 4.237 1.00 0.00 C ATOM 246 O ASP A 17 -2.251 21.260 3.905 1.00 0.00 O ATOM 247 CB ASP A 17 -1.674 20.764 6.706 1.00 0.00 C ATOM 248 CG ASP A 17 -2.563 22.027 6.749 1.00 0.00 C ATOM 249 OD1 ASP A 17 -3.740 21.925 7.148 1.00 0.00 O ATOM 250 OD2 ASP A 17 -2.079 23.133 6.417 1.00 0.00 O ATOM 0 H ASP A 17 -1.901 17.603 6.249 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.206 19.426 5.998 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.606 20.352 7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.666 21.058 6.413 1.00 0.00 H new ATOM 255 N ILE A 18 -2.204 19.073 3.333 1.00 0.00 N ATOM 256 CA ILE A 18 -2.397 19.294 1.878 1.00 0.00 C ATOM 257 C ILE A 18 -3.887 19.001 1.591 1.00 0.00 C ATOM 258 O ILE A 18 -4.373 17.945 2.001 1.00 0.00 O ATOM 259 CB ILE A 18 -1.456 18.380 0.968 1.00 0.00 C ATOM 260 CG1 ILE A 18 0.008 18.941 0.847 1.00 0.00 C ATOM 261 CG2 ILE A 18 -2.045 18.174 -0.460 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.780 19.103 2.135 1.00 0.00 C ATOM 0 H ILE A 18 -2.078 18.093 3.585 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.122 20.318 1.626 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.412 17.418 1.479 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.574 18.278 0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.039 19.912 0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.372 17.546 -1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.019 17.690 -0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.157 19.141 -0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.773 19.497 1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.251 19.794 2.792 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.874 18.135 2.627 1.00 0.00 H new ATOM 274 N PRO A 19 -4.641 19.920 0.904 1.00 0.00 N ATOM 275 CA PRO A 19 -6.088 19.736 0.680 1.00 0.00 C ATOM 276 C PRO A 19 -6.384 18.512 -0.223 1.00 0.00 C ATOM 277 O PRO A 19 -5.762 18.337 -1.275 1.00 0.00 O ATOM 278 CB PRO A 19 -6.555 21.074 0.039 1.00 0.00 C ATOM 279 CG PRO A 19 -5.314 21.704 -0.523 1.00 0.00 C ATOM 280 CD PRO A 19 -4.142 21.177 0.291 1.00 0.00 C ATOM 0 HA PRO A 19 -6.624 19.522 1.604 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.294 20.898 -0.743 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.023 21.722 0.780 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.196 21.452 -1.577 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.370 22.791 -0.460 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.273 20.991 -0.341 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.835 21.894 1.053 1.00 0.00 H new ATOM 288 N ARG A 20 -7.327 17.670 0.246 1.00 0.00 N ATOM 289 CA ARG A 20 -7.818 16.449 -0.440 1.00 0.00 C ATOM 290 C ARG A 20 -8.157 16.698 -1.925 1.00 0.00 C ATOM 291 O ARG A 20 -7.893 15.846 -2.781 1.00 0.00 O ATOM 292 CB ARG A 20 -9.083 15.960 0.310 1.00 0.00 C ATOM 293 CG ARG A 20 -9.825 14.737 -0.285 1.00 0.00 C ATOM 294 CD ARG A 20 -9.164 13.374 0.014 1.00 0.00 C ATOM 295 NE ARG A 20 -10.141 12.273 -0.120 1.00 0.00 N ATOM 296 CZ ARG A 20 -11.112 12.021 0.772 1.00 0.00 C ATOM 297 NH1 ARG A 20 -11.152 12.649 1.944 1.00 0.00 N ATOM 298 NH2 ARG A 20 -12.032 11.126 0.513 1.00 0.00 N ATOM 0 H ARG A 20 -7.786 17.823 1.144 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.027 15.699 -0.422 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.797 15.718 1.334 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.787 16.790 0.364 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.844 14.724 0.102 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.896 14.862 -1.365 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.331 13.212 -0.670 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.752 13.379 1.023 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.073 11.669 -0.939 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.436 13.337 2.179 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.899 12.443 2.608 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.013 10.616 -0.370 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.767 10.939 1.195 1.00 0.00 H new ATOM 312 N GLU A 21 -8.718 17.889 -2.209 1.00 0.00 N ATOM 313 CA GLU A 21 -9.203 18.262 -3.547 1.00 0.00 C ATOM 314 C GLU A 21 -8.039 18.388 -4.555 1.00 0.00 C ATOM 315 O GLU A 21 -8.206 18.067 -5.736 1.00 0.00 O ATOM 316 CB GLU A 21 -10.044 19.571 -3.459 1.00 0.00 C ATOM 317 CG GLU A 21 -9.290 20.800 -2.904 1.00 0.00 C ATOM 318 CD GLU A 21 -10.208 22.014 -2.667 1.00 0.00 C ATOM 319 OE1 GLU A 21 -10.401 22.827 -3.596 1.00 0.00 O ATOM 320 OE2 GLU A 21 -10.757 22.151 -1.551 1.00 0.00 O ATOM 0 H GLU A 21 -8.847 18.622 -1.511 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.849 17.467 -3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.417 19.812 -4.454 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.914 19.384 -2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.806 20.529 -1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.500 21.080 -3.601 1.00 0.00 H new ATOM 327 N THR A 22 -6.849 18.800 -4.073 1.00 0.00 N ATOM 328 CA THR A 22 -5.652 18.967 -4.927 1.00 0.00 C ATOM 329 C THR A 22 -4.819 17.672 -4.996 1.00 0.00 C ATOM 330 O THR A 22 -3.748 17.648 -5.617 1.00 0.00 O ATOM 331 CB THR A 22 -4.753 20.141 -4.414 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.341 19.905 -3.056 1.00 0.00 O ATOM 333 CG2 THR A 22 -5.477 21.495 -4.501 1.00 0.00 C ATOM 0 H THR A 22 -6.689 19.025 -3.091 1.00 0.00 H new ATOM 0 HA THR A 22 -6.009 19.204 -5.929 1.00 0.00 H new ATOM 0 HB THR A 22 -3.876 20.180 -5.061 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.900 19.203 -2.662 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.819 22.284 -4.136 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.746 21.698 -5.538 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.380 21.465 -3.891 1.00 0.00 H new ATOM 341 N ILE A 23 -5.301 16.597 -4.355 1.00 0.00 N ATOM 342 CA ILE A 23 -4.633 15.291 -4.361 1.00 0.00 C ATOM 343 C ILE A 23 -5.280 14.429 -5.465 1.00 0.00 C ATOM 344 O ILE A 23 -6.363 13.868 -5.273 1.00 0.00 O ATOM 345 CB ILE A 23 -4.754 14.597 -2.942 1.00 0.00 C ATOM 346 CG1 ILE A 23 -4.122 15.496 -1.832 1.00 0.00 C ATOM 347 CG2 ILE A 23 -4.110 13.196 -2.938 1.00 0.00 C ATOM 348 CD1 ILE A 23 -4.220 14.948 -0.409 1.00 0.00 C ATOM 0 H ILE A 23 -6.167 16.611 -3.817 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.569 15.410 -4.567 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.815 14.473 -2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.070 15.653 -2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.605 16.473 -1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.213 12.751 -1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.609 12.564 -3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.053 13.281 -3.190 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.752 15.648 0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.268 14.819 -0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.710 13.986 -0.354 1.00 0.00 H new ATOM 360 N THR A 24 -4.653 14.418 -6.648 1.00 0.00 N ATOM 361 CA THR A 24 -5.085 13.597 -7.797 1.00 0.00 C ATOM 362 C THR A 24 -4.351 12.236 -7.777 1.00 0.00 C ATOM 363 O THR A 24 -3.281 12.130 -7.166 1.00 0.00 O ATOM 364 CB THR A 24 -4.801 14.352 -9.142 1.00 0.00 C ATOM 365 OG1 THR A 24 -3.422 14.762 -9.190 1.00 0.00 O ATOM 366 CG2 THR A 24 -5.716 15.582 -9.321 1.00 0.00 C ATOM 0 H THR A 24 -3.825 14.981 -6.841 1.00 0.00 H new ATOM 0 HA THR A 24 -6.158 13.419 -7.722 1.00 0.00 H new ATOM 0 HB THR A 24 -5.013 13.661 -9.958 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.249 15.232 -10.033 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.484 16.074 -10.266 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.758 15.263 -9.324 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.553 16.279 -8.499 1.00 0.00 H new ATOM 374 N PRO A 25 -4.924 11.147 -8.405 1.00 0.00 N ATOM 375 CA PRO A 25 -4.225 9.837 -8.524 1.00 0.00 C ATOM 376 C PRO A 25 -2.915 9.945 -9.335 1.00 0.00 C ATOM 377 O PRO A 25 -1.985 9.161 -9.138 1.00 0.00 O ATOM 378 CB PRO A 25 -5.267 8.909 -9.219 1.00 0.00 C ATOM 379 CG PRO A 25 -6.586 9.590 -9.000 1.00 0.00 C ATOM 380 CD PRO A 25 -6.287 11.076 -9.003 1.00 0.00 C ATOM 0 HA PRO A 25 -3.910 9.452 -7.554 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.051 8.796 -10.281 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.260 7.910 -8.784 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.295 9.332 -9.787 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.033 9.283 -8.055 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.307 11.489 -10.011 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.015 11.635 -8.415 1.00 0.00 H new ATOM 388 N GLU A 26 -2.827 10.978 -10.194 1.00 0.00 N ATOM 389 CA GLU A 26 -1.669 11.214 -11.079 1.00 0.00 C ATOM 390 C GLU A 26 -0.646 12.152 -10.405 1.00 0.00 C ATOM 391 O GLU A 26 0.365 12.514 -11.017 1.00 0.00 O ATOM 392 CB GLU A 26 -2.161 11.821 -12.422 1.00 0.00 C ATOM 393 CG GLU A 26 -2.943 13.148 -12.283 1.00 0.00 C ATOM 394 CD GLU A 26 -3.535 13.652 -13.610 1.00 0.00 C ATOM 395 OE1 GLU A 26 -4.663 13.247 -13.967 1.00 0.00 O ATOM 396 OE2 GLU A 26 -2.877 14.453 -14.304 1.00 0.00 O ATOM 0 H GLU A 26 -3.562 11.678 -10.295 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.173 10.263 -11.274 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.298 11.989 -13.067 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.797 11.091 -12.924 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.750 13.012 -11.563 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.279 13.911 -11.877 1.00 0.00 H new ATOM 403 N SER A 27 -0.915 12.529 -9.145 1.00 0.00 N ATOM 404 CA SER A 27 -0.040 13.410 -8.368 1.00 0.00 C ATOM 405 C SER A 27 1.182 12.619 -7.883 1.00 0.00 C ATOM 406 O SER A 27 1.060 11.454 -7.486 1.00 0.00 O ATOM 407 CB SER A 27 -0.806 14.013 -7.166 1.00 0.00 C ATOM 408 OG SER A 27 0.050 14.742 -6.308 1.00 0.00 O ATOM 0 H SER A 27 -1.748 12.229 -8.639 1.00 0.00 H new ATOM 0 HA SER A 27 0.294 14.231 -9.003 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.597 14.668 -7.531 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.288 13.213 -6.604 1.00 0.00 H new ATOM 0 HG SER A 27 -0.053 15.701 -6.481 1.00 0.00 H new ATOM 414 N HIS A 28 2.355 13.250 -7.968 1.00 0.00 N ATOM 415 CA HIS A 28 3.609 12.688 -7.460 1.00 0.00 C ATOM 416 C HIS A 28 3.861 13.267 -6.054 1.00 0.00 C ATOM 417 O HIS A 28 3.929 14.487 -5.901 1.00 0.00 O ATOM 418 CB HIS A 28 4.760 13.041 -8.434 1.00 0.00 C ATOM 419 CG HIS A 28 6.028 12.234 -8.259 1.00 0.00 C ATOM 420 ND1 HIS A 28 6.993 12.589 -7.348 1.00 0.00 N ATOM 421 CD2 HIS A 28 6.456 11.146 -8.947 1.00 0.00 C ATOM 422 CE1 HIS A 28 7.977 11.721 -7.518 1.00 0.00 C ATOM 423 NE2 HIS A 28 7.696 10.831 -8.474 1.00 0.00 N ATOM 0 H HIS A 28 2.463 14.171 -8.394 1.00 0.00 H new ATOM 0 HA HIS A 28 3.553 11.602 -7.390 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.403 12.908 -9.455 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.002 14.097 -8.316 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.916 10.626 -9.724 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.897 11.731 -6.952 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.292 10.066 -8.789 1.00 0.00 H new ATOM 431 N ALA A 29 3.939 12.387 -5.039 1.00 0.00 N ATOM 432 CA ALA A 29 4.184 12.749 -3.628 1.00 0.00 C ATOM 433 C ALA A 29 5.381 13.712 -3.446 1.00 0.00 C ATOM 434 O ALA A 29 5.324 14.610 -2.609 1.00 0.00 O ATOM 435 CB ALA A 29 4.392 11.467 -2.798 1.00 0.00 C ATOM 0 H ALA A 29 3.831 11.382 -5.178 1.00 0.00 H new ATOM 0 HA ALA A 29 3.305 13.287 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.573 11.733 -1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.501 10.843 -2.863 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.249 10.917 -3.186 1.00 0.00 H new ATOM 441 N ILE A 30 6.429 13.561 -4.275 1.00 0.00 N ATOM 442 CA ILE A 30 7.672 14.349 -4.139 1.00 0.00 C ATOM 443 C ILE A 30 7.579 15.613 -5.012 1.00 0.00 C ATOM 444 O ILE A 30 7.791 16.730 -4.531 1.00 0.00 O ATOM 445 CB ILE A 30 8.939 13.496 -4.535 1.00 0.00 C ATOM 446 CG1 ILE A 30 9.105 12.279 -3.567 1.00 0.00 C ATOM 447 CG2 ILE A 30 10.233 14.349 -4.589 1.00 0.00 C ATOM 448 CD1 ILE A 30 10.368 11.459 -3.774 1.00 0.00 C ATOM 0 H ILE A 30 6.442 12.898 -5.050 1.00 0.00 H new ATOM 0 HA ILE A 30 7.785 14.639 -3.094 1.00 0.00 H new ATOM 0 HB ILE A 30 8.773 13.119 -5.544 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.093 12.646 -2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.242 11.623 -3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.075 13.715 -4.866 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.116 15.141 -5.329 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.418 14.791 -3.610 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.391 10.639 -3.056 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.378 11.055 -4.786 1.00 0.00 H new ATOM 0 HD13 ILE A 30 11.242 12.094 -3.628 1.00 0.00 H new ATOM 460 N ASP A 31 7.216 15.413 -6.295 1.00 0.00 N ATOM 461 CA ASP A 31 7.223 16.483 -7.317 1.00 0.00 C ATOM 462 C ASP A 31 6.078 17.484 -7.099 1.00 0.00 C ATOM 463 O ASP A 31 6.311 18.694 -6.979 1.00 0.00 O ATOM 464 CB ASP A 31 7.136 15.867 -8.740 1.00 0.00 C ATOM 465 CG ASP A 31 7.276 16.911 -9.859 1.00 0.00 C ATOM 466 OD1 ASP A 31 8.415 17.334 -10.145 1.00 0.00 O ATOM 467 OD2 ASP A 31 6.257 17.320 -10.457 1.00 0.00 O ATOM 0 H ASP A 31 6.910 14.508 -6.653 1.00 0.00 H new ATOM 0 HA ASP A 31 8.162 17.028 -7.220 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.918 15.116 -8.852 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.181 15.352 -8.849 1.00 0.00 H new ATOM 472 N ASP A 32 4.844 16.961 -7.037 1.00 0.00 N ATOM 473 CA ASP A 32 3.624 17.780 -6.943 1.00 0.00 C ATOM 474 C ASP A 32 3.386 18.227 -5.493 1.00 0.00 C ATOM 475 O ASP A 32 3.472 19.421 -5.184 1.00 0.00 O ATOM 476 CB ASP A 32 2.401 16.987 -7.483 1.00 0.00 C ATOM 477 CG ASP A 32 1.104 17.816 -7.505 1.00 0.00 C ATOM 478 OD1 ASP A 32 0.916 18.615 -8.451 1.00 0.00 O ATOM 479 OD2 ASP A 32 0.265 17.674 -6.593 1.00 0.00 O ATOM 0 H ASP A 32 4.663 15.957 -7.051 1.00 0.00 H new ATOM 0 HA ASP A 32 3.754 18.672 -7.556 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.619 16.638 -8.492 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.249 16.102 -6.866 1.00 0.00 H new ATOM 484 N LEU A 33 3.130 17.240 -4.605 1.00 0.00 N ATOM 485 CA LEU A 33 2.748 17.490 -3.196 1.00 0.00 C ATOM 486 C LEU A 33 3.897 18.130 -2.381 1.00 0.00 C ATOM 487 O LEU A 33 3.642 18.754 -1.345 1.00 0.00 O ATOM 488 CB LEU A 33 2.287 16.170 -2.517 1.00 0.00 C ATOM 489 CG LEU A 33 1.059 15.440 -3.157 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.719 14.154 -2.375 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.172 16.377 -3.267 1.00 0.00 C ATOM 0 H LEU A 33 3.182 16.250 -4.844 1.00 0.00 H new ATOM 0 HA LEU A 33 1.921 18.200 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.129 15.478 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.048 16.389 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 33 1.335 15.155 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.137 13.663 -2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.576 13.481 -2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.478 14.409 -1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.004 15.834 -3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.458 16.721 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.079 17.236 -3.890 1.00 0.00 H new ATOM 503 N GLY A 34 5.150 17.976 -2.867 1.00 0.00 N ATOM 504 CA GLY A 34 6.331 18.543 -2.200 1.00 0.00 C ATOM 505 C GLY A 34 6.669 17.854 -0.890 1.00 0.00 C ATOM 506 O GLY A 34 6.965 18.506 0.109 1.00 0.00 O ATOM 0 H GLY A 34 5.363 17.461 -3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.187 18.473 -2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.160 19.603 -2.012 1.00 0.00 H new ATOM 510 N ILE A 35 6.623 16.519 -0.905 1.00 0.00 N ATOM 511 CA ILE A 35 6.857 15.671 0.277 1.00 0.00 C ATOM 512 C ILE A 35 8.016 14.706 -0.032 1.00 0.00 C ATOM 513 O ILE A 35 7.919 13.925 -0.980 1.00 0.00 O ATOM 514 CB ILE A 35 5.560 14.847 0.651 1.00 0.00 C ATOM 515 CG1 ILE A 35 4.350 15.805 0.912 1.00 0.00 C ATOM 516 CG2 ILE A 35 5.815 13.915 1.862 1.00 0.00 C ATOM 517 CD1 ILE A 35 3.016 15.109 1.149 1.00 0.00 C ATOM 0 H ILE A 35 6.419 15.985 -1.750 1.00 0.00 H new ATOM 0 HA ILE A 35 7.108 16.306 1.127 1.00 0.00 H new ATOM 0 HB ILE A 35 5.307 14.213 -0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.578 16.425 1.779 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.246 16.475 0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.904 13.363 2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.613 13.213 1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.107 14.512 2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.241 15.856 1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.757 14.511 0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.094 14.461 2.022 1.00 0.00 H new ATOM 529 N ASP A 36 9.093 14.747 0.772 1.00 0.00 N ATOM 530 CA ASP A 36 10.258 13.851 0.586 1.00 0.00 C ATOM 531 C ASP A 36 9.924 12.466 1.152 1.00 0.00 C ATOM 532 O ASP A 36 8.974 12.334 1.924 1.00 0.00 O ATOM 533 CB ASP A 36 11.514 14.414 1.302 1.00 0.00 C ATOM 534 CG ASP A 36 11.874 15.845 0.868 1.00 0.00 C ATOM 535 OD1 ASP A 36 12.585 16.017 -0.150 1.00 0.00 O ATOM 536 OD2 ASP A 36 11.453 16.805 1.553 1.00 0.00 O ATOM 0 H ASP A 36 9.185 15.390 1.558 1.00 0.00 H new ATOM 0 HA ASP A 36 10.475 13.779 -0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.346 14.400 2.379 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.361 13.758 1.103 1.00 0.00 H new ATOM 541 N SER A 37 10.725 11.451 0.794 1.00 0.00 N ATOM 542 CA SER A 37 10.565 10.073 1.307 1.00 0.00 C ATOM 543 C SER A 37 10.742 10.006 2.844 1.00 0.00 C ATOM 544 O SER A 37 10.115 9.176 3.502 1.00 0.00 O ATOM 545 CB SER A 37 11.565 9.141 0.606 1.00 0.00 C ATOM 546 OG SER A 37 12.867 9.718 0.624 1.00 0.00 O ATOM 0 H SER A 37 11.502 11.557 0.142 1.00 0.00 H new ATOM 0 HA SER A 37 9.549 9.745 1.087 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.581 8.172 1.104 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.251 8.965 -0.423 1.00 0.00 H new ATOM 551 N LEU A 38 11.588 10.904 3.390 1.00 0.00 N ATOM 552 CA LEU A 38 11.840 11.010 4.846 1.00 0.00 C ATOM 553 C LEU A 38 10.584 11.499 5.603 1.00 0.00 C ATOM 554 O LEU A 38 10.343 11.081 6.738 1.00 0.00 O ATOM 555 CB LEU A 38 13.045 11.941 5.128 1.00 0.00 C ATOM 556 CG LEU A 38 14.417 11.450 4.574 1.00 0.00 C ATOM 557 CD1 LEU A 38 15.538 12.462 4.875 1.00 0.00 C ATOM 558 CD2 LEU A 38 14.774 10.047 5.115 1.00 0.00 C ATOM 0 H LEU A 38 12.117 11.577 2.835 1.00 0.00 H new ATOM 0 HA LEU A 38 12.081 10.012 5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.831 12.922 4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.135 12.074 6.206 1.00 0.00 H new ATOM 0 HG LEU A 38 14.322 11.373 3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 38 16.481 12.090 4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.299 13.418 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.628 12.595 5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.736 9.735 4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.833 10.081 6.203 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.005 9.335 4.815 1.00 0.00 H new ATOM 570 N ASP A 39 9.801 12.389 4.960 1.00 0.00 N ATOM 571 CA ASP A 39 8.479 12.840 5.465 1.00 0.00 C ATOM 572 C ASP A 39 7.429 11.754 5.212 1.00 0.00 C ATOM 573 O ASP A 39 6.534 11.510 6.030 1.00 0.00 O ATOM 574 CB ASP A 39 8.033 14.139 4.751 1.00 0.00 C ATOM 575 CG ASP A 39 9.001 15.302 4.954 1.00 0.00 C ATOM 576 OD1 ASP A 39 8.933 15.966 6.012 1.00 0.00 O ATOM 577 OD2 ASP A 39 9.847 15.551 4.075 1.00 0.00 O ATOM 0 H ASP A 39 10.064 12.819 4.073 1.00 0.00 H new ATOM 0 HA ASP A 39 8.571 13.032 6.534 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.931 13.942 3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.048 14.427 5.118 1.00 0.00 H new ATOM 582 N PHE A 40 7.589 11.097 4.056 1.00 0.00 N ATOM 583 CA PHE A 40 6.651 10.107 3.536 1.00 0.00 C ATOM 584 C PHE A 40 6.687 8.827 4.391 1.00 0.00 C ATOM 585 O PHE A 40 5.769 8.031 4.317 1.00 0.00 O ATOM 586 CB PHE A 40 6.971 9.812 2.045 1.00 0.00 C ATOM 587 CG PHE A 40 5.928 8.961 1.337 1.00 0.00 C ATOM 588 CD1 PHE A 40 4.680 9.495 1.012 1.00 0.00 C ATOM 589 CD2 PHE A 40 6.186 7.633 1.002 1.00 0.00 C ATOM 590 CE1 PHE A 40 3.725 8.726 0.387 1.00 0.00 C ATOM 591 CE2 PHE A 40 5.228 6.864 0.376 1.00 0.00 C ATOM 592 CZ PHE A 40 4.005 7.414 0.065 1.00 0.00 C ATOM 0 H PHE A 40 8.393 11.246 3.447 1.00 0.00 H new ATOM 0 HA PHE A 40 5.638 10.505 3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.073 10.758 1.513 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.936 9.308 1.986 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.461 10.525 1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.148 7.201 1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.760 9.148 0.149 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.436 5.833 0.130 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.259 6.814 -0.435 1.00 0.00 H new ATOM 602 N LEU A 41 7.779 8.638 5.180 1.00 0.00 N ATOM 603 CA LEU A 41 7.883 7.549 6.178 1.00 0.00 C ATOM 604 C LEU A 41 6.665 7.565 7.119 1.00 0.00 C ATOM 605 O LEU A 41 5.951 6.575 7.212 1.00 0.00 O ATOM 606 CB LEU A 41 9.190 7.680 7.009 1.00 0.00 C ATOM 607 CG LEU A 41 10.524 7.514 6.227 1.00 0.00 C ATOM 608 CD1 LEU A 41 11.739 7.729 7.148 1.00 0.00 C ATOM 609 CD2 LEU A 41 10.590 6.140 5.522 1.00 0.00 C ATOM 0 H LEU A 41 8.605 9.235 5.139 1.00 0.00 H new ATOM 0 HA LEU A 41 7.907 6.602 5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.194 8.659 7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.165 6.936 7.805 1.00 0.00 H new ATOM 0 HG LEU A 41 10.555 8.283 5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.657 7.607 6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.704 8.735 7.567 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.717 6.998 7.956 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.534 6.052 4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.521 5.346 6.266 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.762 6.051 4.819 1.00 0.00 H new ATOM 621 N ASP A 42 6.417 8.729 7.765 1.00 0.00 N ATOM 622 CA ASP A 42 5.301 8.910 8.727 1.00 0.00 C ATOM 623 C ASP A 42 3.938 8.708 8.034 1.00 0.00 C ATOM 624 O ASP A 42 3.025 8.103 8.606 1.00 0.00 O ATOM 625 CB ASP A 42 5.384 10.308 9.395 1.00 0.00 C ATOM 626 CG ASP A 42 4.299 10.541 10.467 1.00 0.00 C ATOM 627 OD1 ASP A 42 4.389 9.924 11.554 1.00 0.00 O ATOM 628 OD2 ASP A 42 3.346 11.308 10.225 1.00 0.00 O ATOM 0 H ASP A 42 6.983 9.568 7.635 1.00 0.00 H new ATOM 0 HA ASP A 42 5.393 8.153 9.506 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.367 10.426 9.852 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.295 11.076 8.626 1.00 0.00 H new ATOM 633 N ILE A 43 3.831 9.191 6.784 1.00 0.00 N ATOM 634 CA ILE A 43 2.630 8.990 5.945 1.00 0.00 C ATOM 635 C ILE A 43 2.427 7.491 5.666 1.00 0.00 C ATOM 636 O ILE A 43 1.313 6.977 5.766 1.00 0.00 O ATOM 637 CB ILE A 43 2.734 9.751 4.574 1.00 0.00 C ATOM 638 CG1 ILE A 43 3.042 11.261 4.800 1.00 0.00 C ATOM 639 CG2 ILE A 43 1.447 9.561 3.719 1.00 0.00 C ATOM 640 CD1 ILE A 43 3.177 12.064 3.520 1.00 0.00 C ATOM 0 H ILE A 43 4.567 9.728 6.327 1.00 0.00 H new ATOM 0 HA ILE A 43 1.781 9.393 6.498 1.00 0.00 H new ATOM 0 HB ILE A 43 3.563 9.318 4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.248 11.696 5.407 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.966 11.351 5.372 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.553 10.100 2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.299 8.501 3.515 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.587 9.949 4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.391 13.105 3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.991 11.657 2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.246 12.008 2.955 1.00 0.00 H new ATOM 652 N ALA A 44 3.540 6.794 5.381 1.00 0.00 N ATOM 653 CA ALA A 44 3.540 5.383 4.962 1.00 0.00 C ATOM 654 C ALA A 44 3.318 4.468 6.170 1.00 0.00 C ATOM 655 O ALA A 44 2.894 3.342 5.998 1.00 0.00 O ATOM 656 CB ALA A 44 4.859 5.026 4.247 1.00 0.00 C ATOM 0 H ALA A 44 4.474 7.199 5.436 1.00 0.00 H new ATOM 0 HA ALA A 44 2.721 5.233 4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.838 3.979 3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.976 5.655 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.697 5.192 4.925 1.00 0.00 H new ATOM 662 N PHE A 45 3.650 4.965 7.383 1.00 0.00 N ATOM 663 CA PHE A 45 3.356 4.280 8.660 1.00 0.00 C ATOM 664 C PHE A 45 1.879 4.446 9.022 1.00 0.00 C ATOM 665 O PHE A 45 1.294 3.559 9.636 1.00 0.00 O ATOM 666 CB PHE A 45 4.275 4.786 9.813 1.00 0.00 C ATOM 667 CG PHE A 45 5.645 4.102 9.846 1.00 0.00 C ATOM 668 CD1 PHE A 45 5.756 2.766 10.224 1.00 0.00 C ATOM 669 CD2 PHE A 45 6.813 4.782 9.498 1.00 0.00 C ATOM 670 CE1 PHE A 45 6.983 2.133 10.251 1.00 0.00 C ATOM 671 CE2 PHE A 45 8.039 4.146 9.526 1.00 0.00 C ATOM 672 CZ PHE A 45 8.125 2.821 9.902 1.00 0.00 C ATOM 0 H PHE A 45 4.131 5.856 7.503 1.00 0.00 H new ATOM 0 HA PHE A 45 3.566 3.219 8.527 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.417 5.862 9.709 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.773 4.622 10.766 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.868 2.216 10.500 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.758 5.819 9.203 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.048 1.096 10.546 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.933 4.687 9.253 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.084 2.325 9.923 1.00 0.00 H new ATOM 682 N ALA A 46 1.281 5.579 8.628 1.00 0.00 N ATOM 683 CA ALA A 46 -0.163 5.804 8.798 1.00 0.00 C ATOM 684 C ALA A 46 -0.952 4.887 7.843 1.00 0.00 C ATOM 685 O ALA A 46 -1.957 4.305 8.234 1.00 0.00 O ATOM 686 CB ALA A 46 -0.509 7.276 8.567 1.00 0.00 C ATOM 0 H ALA A 46 1.775 6.356 8.189 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.444 5.556 9.822 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.581 7.422 8.697 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.031 7.894 9.284 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.224 7.562 7.555 1.00 0.00 H new ATOM 692 N ILE A 47 -0.459 4.756 6.597 1.00 0.00 N ATOM 693 CA ILE A 47 -1.037 3.842 5.589 1.00 0.00 C ATOM 694 C ILE A 47 -0.846 2.369 6.023 1.00 0.00 C ATOM 695 O ILE A 47 -1.756 1.547 5.900 1.00 0.00 O ATOM 696 CB ILE A 47 -0.375 4.062 4.180 1.00 0.00 C ATOM 697 CG1 ILE A 47 -0.586 5.524 3.668 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.911 3.043 3.156 1.00 0.00 C ATOM 699 CD1 ILE A 47 0.160 5.875 2.381 1.00 0.00 C ATOM 0 H ILE A 47 0.349 5.279 6.260 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.102 4.062 5.514 1.00 0.00 H new ATOM 0 HB ILE A 47 0.697 3.903 4.294 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.652 5.686 3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.273 6.215 4.451 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.438 3.216 2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.684 2.032 3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.990 3.159 3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.051 6.909 2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.232 5.752 2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.168 5.214 1.578 1.00 0.00 H new ATOM 711 N ASP A 48 0.362 2.084 6.528 1.00 0.00 N ATOM 712 CA ASP A 48 0.790 0.761 7.030 1.00 0.00 C ATOM 713 C ASP A 48 -0.235 0.201 8.028 1.00 0.00 C ATOM 714 O ASP A 48 -0.849 -0.843 7.803 1.00 0.00 O ATOM 715 CB ASP A 48 2.174 0.951 7.716 1.00 0.00 C ATOM 716 CG ASP A 48 2.862 -0.318 8.235 1.00 0.00 C ATOM 717 OD1 ASP A 48 2.538 -0.775 9.352 1.00 0.00 O ATOM 718 OD2 ASP A 48 3.782 -0.820 7.554 1.00 0.00 O ATOM 0 H ASP A 48 1.096 2.788 6.603 1.00 0.00 H new ATOM 0 HA ASP A 48 0.864 0.048 6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.843 1.435 7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.048 1.637 8.553 1.00 0.00 H new ATOM 723 N LYS A 49 -0.444 0.977 9.092 1.00 0.00 N ATOM 724 CA LYS A 49 -1.268 0.588 10.245 1.00 0.00 C ATOM 725 C LYS A 49 -2.771 0.691 9.935 1.00 0.00 C ATOM 726 O LYS A 49 -3.556 -0.097 10.465 1.00 0.00 O ATOM 727 CB LYS A 49 -0.862 1.474 11.443 1.00 0.00 C ATOM 728 CG LYS A 49 0.640 1.354 11.805 1.00 0.00 C ATOM 729 CD LYS A 49 1.133 2.473 12.751 1.00 0.00 C ATOM 730 CE LYS A 49 2.660 2.466 12.943 1.00 0.00 C ATOM 731 NZ LYS A 49 3.132 1.239 13.631 1.00 0.00 N ATOM 0 H LYS A 49 -0.040 1.909 9.182 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.090 -0.460 10.488 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.092 2.514 11.213 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.462 1.199 12.311 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.817 0.387 12.275 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.230 1.376 10.889 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.827 3.440 12.352 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.649 2.361 13.721 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.147 2.546 11.971 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.956 3.341 13.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.166 1.277 13.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.688 1.175 14.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.873 0.404 13.068 1.00 0.00 H new ATOM 745 N ALA A 50 -3.171 1.666 9.077 1.00 0.00 N ATOM 746 CA ALA A 50 -4.575 1.810 8.621 1.00 0.00 C ATOM 747 C ALA A 50 -5.037 0.561 7.855 1.00 0.00 C ATOM 748 O ALA A 50 -6.060 -0.044 8.189 1.00 0.00 O ATOM 749 CB ALA A 50 -4.756 3.063 7.742 1.00 0.00 C ATOM 0 H ALA A 50 -2.538 2.364 8.688 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.193 1.924 9.512 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.796 3.138 7.425 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.486 3.951 8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.114 2.988 6.864 1.00 0.00 H new ATOM 755 N PHE A 51 -4.248 0.172 6.842 1.00 0.00 N ATOM 756 CA PHE A 51 -4.548 -0.987 5.989 1.00 0.00 C ATOM 757 C PHE A 51 -4.069 -2.311 6.636 1.00 0.00 C ATOM 758 O PHE A 51 -4.245 -3.372 6.037 1.00 0.00 O ATOM 759 CB PHE A 51 -3.919 -0.794 4.580 1.00 0.00 C ATOM 760 CG PHE A 51 -4.593 0.275 3.710 1.00 0.00 C ATOM 761 CD1 PHE A 51 -4.302 1.633 3.859 1.00 0.00 C ATOM 762 CD2 PHE A 51 -5.518 -0.090 2.726 1.00 0.00 C ATOM 763 CE1 PHE A 51 -4.905 2.585 3.051 1.00 0.00 C ATOM 764 CE2 PHE A 51 -6.114 0.860 1.920 1.00 0.00 C ATOM 765 CZ PHE A 51 -5.812 2.193 2.082 1.00 0.00 C ATOM 0 H PHE A 51 -3.384 0.653 6.591 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.630 -1.056 5.881 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.868 -0.533 4.701 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.952 -1.746 4.050 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.597 1.946 4.615 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.770 -1.132 2.594 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.667 3.631 3.178 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.819 0.556 1.160 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.283 2.933 1.453 1.00 0.00 H new ATOM 775 N GLY A 52 -3.461 -2.236 7.849 1.00 0.00 N ATOM 776 CA GLY A 52 -3.045 -3.426 8.613 1.00 0.00 C ATOM 777 C GLY A 52 -2.027 -4.307 7.887 1.00 0.00 C ATOM 778 O GLY A 52 -2.022 -5.531 8.057 1.00 0.00 O ATOM 0 H GLY A 52 -3.250 -1.354 8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.619 -3.104 9.563 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.927 -4.023 8.845 1.00 0.00 H new ATOM 782 N ILE A 53 -1.182 -3.673 7.069 1.00 0.00 N ATOM 783 CA ILE A 53 -0.168 -4.341 6.233 1.00 0.00 C ATOM 784 C ILE A 53 1.219 -3.754 6.535 1.00 0.00 C ATOM 785 O ILE A 53 1.336 -2.880 7.391 1.00 0.00 O ATOM 786 CB ILE A 53 -0.549 -4.209 4.694 1.00 0.00 C ATOM 787 CG1 ILE A 53 -0.937 -2.730 4.281 1.00 0.00 C ATOM 788 CG2 ILE A 53 -1.703 -5.181 4.353 1.00 0.00 C ATOM 789 CD1 ILE A 53 0.210 -1.766 4.045 1.00 0.00 C ATOM 0 H ILE A 53 -1.180 -2.658 6.964 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.140 -5.405 6.469 1.00 0.00 H new ATOM 0 HB ILE A 53 0.339 -4.472 4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.535 -2.777 3.371 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.575 -2.315 5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.959 -5.086 3.298 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.390 -6.204 4.559 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.574 -4.939 4.961 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.187 -0.789 3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.801 -1.673 4.956 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.841 -2.142 3.240 1.00 0.00 H new ATOM 801 N LYS A 54 2.264 -4.235 5.837 1.00 0.00 N ATOM 802 CA LYS A 54 3.619 -3.657 5.952 1.00 0.00 C ATOM 803 C LYS A 54 4.083 -3.162 4.573 1.00 0.00 C ATOM 804 O LYS A 54 4.110 -3.934 3.608 1.00 0.00 O ATOM 805 CB LYS A 54 4.648 -4.648 6.605 1.00 0.00 C ATOM 806 CG LYS A 54 5.072 -5.898 5.786 1.00 0.00 C ATOM 807 CD LYS A 54 3.973 -6.986 5.657 1.00 0.00 C ATOM 808 CE LYS A 54 4.476 -8.239 4.911 1.00 0.00 C ATOM 809 NZ LYS A 54 3.438 -9.292 4.828 1.00 0.00 N ATOM 0 H LYS A 54 2.198 -5.020 5.189 1.00 0.00 H new ATOM 0 HA LYS A 54 3.570 -2.806 6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.549 -4.084 6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.227 -4.994 7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.368 -5.579 4.787 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.951 -6.341 6.253 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.629 -7.271 6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.114 -6.571 5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.790 -7.960 3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.354 -8.636 5.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.819 -10.115 4.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.156 -9.578 5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.609 -8.923 4.319 1.00 0.00 H new ATOM 823 N LEU A 55 4.366 -1.846 4.459 1.00 0.00 N ATOM 824 CA LEU A 55 4.958 -1.248 3.249 1.00 0.00 C ATOM 825 C LEU A 55 6.494 -1.350 3.324 1.00 0.00 C ATOM 826 O LEU A 55 7.083 -0.737 4.222 1.00 0.00 O ATOM 827 CB LEU A 55 4.557 0.254 3.125 1.00 0.00 C ATOM 828 CG LEU A 55 3.033 0.571 2.979 1.00 0.00 C ATOM 829 CD1 LEU A 55 2.775 2.092 2.941 1.00 0.00 C ATOM 830 CD2 LEU A 55 2.431 -0.115 1.731 1.00 0.00 C ATOM 0 H LEU A 55 4.190 -1.172 5.204 1.00 0.00 H new ATOM 0 HA LEU A 55 4.586 -1.789 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.929 0.778 4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.075 0.673 2.262 1.00 0.00 H new ATOM 0 HG LEU A 55 2.534 0.166 3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.706 2.277 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.135 2.545 3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.302 2.529 2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.370 0.126 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.945 0.240 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.553 -1.195 1.815 1.00 0.00 H new ATOM 842 N PRO A 56 7.172 -2.125 2.410 1.00 0.00 N ATOM 843 CA PRO A 56 8.652 -2.135 2.310 1.00 0.00 C ATOM 844 C PRO A 56 9.197 -0.827 1.676 1.00 0.00 C ATOM 845 O PRO A 56 9.784 -0.842 0.589 1.00 0.00 O ATOM 846 CB PRO A 56 8.942 -3.384 1.436 1.00 0.00 C ATOM 847 CG PRO A 56 7.725 -3.518 0.571 1.00 0.00 C ATOM 848 CD PRO A 56 6.559 -3.082 1.441 1.00 0.00 C ATOM 0 HA PRO A 56 9.146 -2.183 3.281 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.843 -3.251 0.838 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.095 -4.272 2.049 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.805 -2.894 -0.319 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.597 -4.545 0.230 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.776 -2.606 0.851 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.102 -3.930 1.951 1.00 0.00 H new ATOM 856 N LEU A 57 9.018 0.291 2.415 1.00 0.00 N ATOM 857 CA LEU A 57 9.363 1.660 1.975 1.00 0.00 C ATOM 858 C LEU A 57 10.889 1.777 1.783 1.00 0.00 C ATOM 859 O LEU A 57 11.348 2.405 0.838 1.00 0.00 O ATOM 860 CB LEU A 57 8.829 2.706 3.022 1.00 0.00 C ATOM 861 CG LEU A 57 8.526 4.171 2.523 1.00 0.00 C ATOM 862 CD1 LEU A 57 9.791 4.962 2.115 1.00 0.00 C ATOM 863 CD2 LEU A 57 7.490 4.153 1.381 1.00 0.00 C ATOM 0 H LEU A 57 8.621 0.265 3.354 1.00 0.00 H new ATOM 0 HA LEU A 57 8.887 1.871 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.912 2.305 3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.560 2.773 3.828 1.00 0.00 H new ATOM 0 HG LEU A 57 8.106 4.704 3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.505 5.960 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.461 5.043 2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.300 4.441 1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.295 5.173 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.879 3.570 0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.563 3.703 1.738 1.00 0.00 H new ATOM 875 N GLU A 58 11.642 1.123 2.687 1.00 0.00 N ATOM 876 CA GLU A 58 13.123 1.141 2.698 1.00 0.00 C ATOM 877 C GLU A 58 13.680 0.452 1.438 1.00 0.00 C ATOM 878 O GLU A 58 14.618 0.945 0.792 1.00 0.00 O ATOM 879 CB GLU A 58 13.625 0.412 3.972 1.00 0.00 C ATOM 880 CG GLU A 58 13.021 0.934 5.283 1.00 0.00 C ATOM 881 CD GLU A 58 13.411 0.076 6.494 1.00 0.00 C ATOM 882 OE1 GLU A 58 12.793 -0.992 6.695 1.00 0.00 O ATOM 883 OE2 GLU A 58 14.346 0.453 7.234 1.00 0.00 O ATOM 0 H GLU A 58 11.240 0.562 3.438 1.00 0.00 H new ATOM 0 HA GLU A 58 13.473 2.173 2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.399 -0.650 3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.710 0.504 4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.351 1.960 5.448 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.935 0.959 5.194 1.00 0.00 H new ATOM 890 N LYS A 59 13.077 -0.698 1.115 1.00 0.00 N ATOM 891 CA LYS A 59 13.405 -1.501 -0.071 1.00 0.00 C ATOM 892 C LYS A 59 13.117 -0.701 -1.357 1.00 0.00 C ATOM 893 O LYS A 59 13.957 -0.644 -2.263 1.00 0.00 O ATOM 894 CB LYS A 59 12.597 -2.829 0.000 1.00 0.00 C ATOM 895 CG LYS A 59 12.818 -3.841 -1.160 1.00 0.00 C ATOM 896 CD LYS A 59 11.686 -3.829 -2.214 1.00 0.00 C ATOM 897 CE LYS A 59 11.847 -4.937 -3.264 1.00 0.00 C ATOM 898 NZ LYS A 59 10.845 -4.809 -4.350 1.00 0.00 N ATOM 0 H LYS A 59 12.333 -1.105 1.681 1.00 0.00 H new ATOM 0 HA LYS A 59 14.467 -1.743 -0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.842 -3.327 0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.536 -2.581 0.038 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.764 -3.616 -1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.906 -4.845 -0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.726 -3.946 -1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.669 -2.860 -2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.851 -4.895 -3.687 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.743 -5.911 -2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.387 -5.729 -4.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.127 -4.107 -4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.317 -4.501 -5.224 1.00 0.00 H new ATOM 912 N TRP A 60 11.942 -0.041 -1.379 1.00 0.00 N ATOM 913 CA TRP A 60 11.514 0.841 -2.483 1.00 0.00 C ATOM 914 C TRP A 60 12.470 2.038 -2.649 1.00 0.00 C ATOM 915 O TRP A 60 12.773 2.435 -3.774 1.00 0.00 O ATOM 916 CB TRP A 60 10.072 1.357 -2.238 1.00 0.00 C ATOM 917 CG TRP A 60 8.991 0.304 -2.314 1.00 0.00 C ATOM 918 CD1 TRP A 60 9.007 -0.852 -3.048 1.00 0.00 C ATOM 919 CD2 TRP A 60 7.718 0.335 -1.656 1.00 0.00 C ATOM 920 NE1 TRP A 60 7.826 -1.520 -2.898 1.00 0.00 N ATOM 921 CE2 TRP A 60 7.022 -0.819 -2.047 1.00 0.00 C ATOM 922 CE3 TRP A 60 7.106 1.219 -0.771 1.00 0.00 C ATOM 923 CZ2 TRP A 60 5.739 -1.100 -1.599 1.00 0.00 C ATOM 924 CZ3 TRP A 60 5.829 0.940 -0.323 1.00 0.00 C ATOM 925 CH2 TRP A 60 5.159 -0.214 -0.739 1.00 0.00 C ATOM 0 H TRP A 60 11.258 -0.106 -0.625 1.00 0.00 H new ATOM 0 HA TRP A 60 11.536 0.252 -3.400 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.033 1.825 -1.254 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.852 2.134 -2.970 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.834 -1.187 -3.657 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.583 -2.402 -3.350 1.00 0.00 H new ATOM 0 HE3 TRP A 60 7.621 2.109 -0.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 5.218 -1.990 -1.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 5.342 1.623 0.358 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.162 -0.408 -0.372 1.00 0.00 H new ATOM 936 N THR A 61 12.938 2.588 -1.504 1.00 0.00 N ATOM 937 CA THR A 61 13.875 3.730 -1.455 1.00 0.00 C ATOM 938 C THR A 61 15.162 3.403 -2.222 1.00 0.00 C ATOM 939 O THR A 61 15.618 4.204 -3.049 1.00 0.00 O ATOM 940 CB THR A 61 14.206 4.126 0.032 1.00 0.00 C ATOM 941 OG1 THR A 61 13.034 4.678 0.661 1.00 0.00 O ATOM 942 CG2 THR A 61 15.376 5.127 0.154 1.00 0.00 C ATOM 0 H THR A 61 12.672 2.246 -0.580 1.00 0.00 H new ATOM 0 HA THR A 61 13.392 4.583 -1.933 1.00 0.00 H new ATOM 0 HB THR A 61 14.519 3.211 0.535 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.363 3.974 0.777 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.550 5.356 1.205 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.276 4.688 -0.276 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.128 6.044 -0.381 1.00 0.00 H new ATOM 950 N GLN A 62 15.699 2.192 -1.998 1.00 0.00 N ATOM 951 CA GLN A 62 16.970 1.779 -2.600 1.00 0.00 C ATOM 952 C GLN A 62 16.795 1.551 -4.112 1.00 0.00 C ATOM 953 O GLN A 62 17.665 1.925 -4.886 1.00 0.00 O ATOM 954 CB GLN A 62 17.510 0.501 -1.916 1.00 0.00 C ATOM 955 CG GLN A 62 17.758 0.626 -0.402 1.00 0.00 C ATOM 956 CD GLN A 62 18.690 1.784 -0.025 1.00 0.00 C ATOM 957 OE1 GLN A 62 18.236 2.896 0.236 1.00 0.00 O ATOM 958 NE2 GLN A 62 19.992 1.543 -0.018 1.00 0.00 N ATOM 0 H GLN A 62 15.269 1.484 -1.403 1.00 0.00 H new ATOM 0 HA GLN A 62 17.698 2.577 -2.451 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.803 -0.310 -2.087 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.445 0.216 -2.399 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.802 0.761 0.104 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.185 -0.307 -0.034 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.339 0.610 -0.239 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.648 2.291 0.208 1.00 0.00 H new ATOM 967 N GLU A 63 15.637 0.960 -4.506 1.00 0.00 N ATOM 968 CA GLU A 63 15.298 0.666 -5.924 1.00 0.00 C ATOM 969 C GLU A 63 15.189 1.954 -6.768 1.00 0.00 C ATOM 970 O GLU A 63 15.710 2.015 -7.893 1.00 0.00 O ATOM 971 CB GLU A 63 13.971 -0.134 -6.019 1.00 0.00 C ATOM 972 CG GLU A 63 14.013 -1.527 -5.374 1.00 0.00 C ATOM 973 CD GLU A 63 12.698 -2.294 -5.554 1.00 0.00 C ATOM 974 OE1 GLU A 63 11.689 -1.916 -4.926 1.00 0.00 O ATOM 975 OE2 GLU A 63 12.663 -3.287 -6.312 1.00 0.00 O ATOM 0 H GLU A 63 14.911 0.674 -3.849 1.00 0.00 H new ATOM 0 HA GLU A 63 16.112 0.063 -6.327 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.178 0.446 -5.547 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.703 -0.243 -7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.829 -2.102 -5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.229 -1.426 -4.310 1.00 0.00 H new ATOM 982 N VAL A 64 14.505 2.973 -6.205 1.00 0.00 N ATOM 983 CA VAL A 64 14.353 4.294 -6.848 1.00 0.00 C ATOM 984 C VAL A 64 15.734 4.935 -7.072 1.00 0.00 C ATOM 985 O VAL A 64 16.101 5.282 -8.199 1.00 0.00 O ATOM 986 CB VAL A 64 13.438 5.260 -5.995 1.00 0.00 C ATOM 987 CG1 VAL A 64 13.438 6.700 -6.563 1.00 0.00 C ATOM 988 CG2 VAL A 64 11.992 4.728 -5.913 1.00 0.00 C ATOM 0 H VAL A 64 14.045 2.903 -5.297 1.00 0.00 H new ATOM 0 HA VAL A 64 13.864 4.139 -7.810 1.00 0.00 H new ATOM 0 HB VAL A 64 13.860 5.290 -4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.798 7.333 -5.949 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.454 7.095 -6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.062 6.688 -7.586 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.385 5.413 -5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.575 4.651 -6.917 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.992 3.744 -5.444 1.00 0.00 H new ATOM 998 N ASN A 65 16.499 5.044 -5.977 1.00 0.00 N ATOM 999 CA ASN A 65 17.818 5.707 -5.968 1.00 0.00 C ATOM 1000 C ASN A 65 18.888 4.926 -6.766 1.00 0.00 C ATOM 1001 O ASN A 65 19.890 5.508 -7.190 1.00 0.00 O ATOM 1002 CB ASN A 65 18.272 5.931 -4.497 1.00 0.00 C ATOM 1003 CG ASN A 65 17.298 6.793 -3.676 1.00 0.00 C ATOM 1004 OD1 ASN A 65 16.585 7.645 -4.217 1.00 0.00 O ATOM 1005 ND2 ASN A 65 17.277 6.595 -2.365 1.00 0.00 N ATOM 0 H ASN A 65 16.223 4.675 -5.067 1.00 0.00 H new ATOM 0 HA ASN A 65 17.711 6.668 -6.470 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.386 4.963 -4.010 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.253 6.406 -4.497 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.661 7.154 -1.775 1.00 0.00 H new ATOM 0 HD22 ASN A 65 17.877 5.884 -1.947 1.00 0.00 H new ATOM 1012 N ASP A 66 18.665 3.614 -6.983 1.00 0.00 N ATOM 1013 CA ASP A 66 19.578 2.742 -7.767 1.00 0.00 C ATOM 1014 C ASP A 66 19.290 2.849 -9.284 1.00 0.00 C ATOM 1015 O ASP A 66 20.149 2.526 -10.111 1.00 0.00 O ATOM 1016 CB ASP A 66 19.407 1.268 -7.300 1.00 0.00 C ATOM 1017 CG ASP A 66 20.481 0.303 -7.839 1.00 0.00 C ATOM 1018 OD1 ASP A 66 20.356 -0.182 -8.979 1.00 0.00 O ATOM 1019 OD2 ASP A 66 21.449 0.000 -7.111 1.00 0.00 O ATOM 0 H ASP A 66 17.847 3.124 -6.621 1.00 0.00 H new ATOM 0 HA ASP A 66 20.603 3.070 -7.595 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.424 1.240 -6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.425 0.912 -7.613 1.00 0.00 H new ATOM 1024 N GLY A 67 18.093 3.353 -9.635 1.00 0.00 N ATOM 1025 CA GLY A 67 17.600 3.302 -11.017 1.00 0.00 C ATOM 1026 C GLY A 67 17.019 1.948 -11.427 1.00 0.00 C ATOM 1027 O GLY A 67 16.835 1.699 -12.624 1.00 0.00 O ATOM 0 H GLY A 67 17.452 3.799 -8.979 1.00 0.00 H new ATOM 0 HA2 GLY A 67 16.834 4.067 -11.146 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.418 3.553 -11.692 1.00 0.00 H new ATOM 1031 N LYS A 68 16.744 1.066 -10.439 1.00 0.00 N ATOM 1032 CA LYS A 68 16.020 -0.207 -10.676 1.00 0.00 C ATOM 1033 C LYS A 68 14.567 0.090 -11.079 1.00 0.00 C ATOM 1034 O LYS A 68 13.994 -0.560 -11.963 1.00 0.00 O ATOM 1035 CB LYS A 68 16.031 -1.094 -9.396 1.00 0.00 C ATOM 1036 CG LYS A 68 17.410 -1.655 -8.945 1.00 0.00 C ATOM 1037 CD LYS A 68 17.875 -2.933 -9.709 1.00 0.00 C ATOM 1038 CE LYS A 68 18.402 -2.672 -11.136 1.00 0.00 C ATOM 1039 NZ LYS A 68 19.683 -1.925 -11.132 1.00 0.00 N ATOM 0 H LYS A 68 17.013 1.212 -9.466 1.00 0.00 H new ATOM 0 HA LYS A 68 16.523 -0.745 -11.479 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.616 -0.510 -8.574 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.359 -1.936 -9.560 1.00 0.00 H new ATOM 0 HG2 LYS A 68 18.163 -0.877 -9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.364 -1.882 -7.880 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.659 -3.422 -9.130 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.039 -3.630 -9.766 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.540 -3.623 -11.650 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.657 -2.110 -11.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.671 -1.212 -11.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.807 -1.453 -10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 20.470 -2.585 -11.291 1.00 0.00 H new ATOM 1053 N ALA A 69 14.002 1.101 -10.415 1.00 0.00 N ATOM 1054 CA ALA A 69 12.622 1.549 -10.616 1.00 0.00 C ATOM 1055 C ALA A 69 12.593 3.076 -10.603 1.00 0.00 C ATOM 1056 O ALA A 69 13.416 3.702 -9.925 1.00 0.00 O ATOM 1057 CB ALA A 69 11.725 0.962 -9.523 1.00 0.00 C ATOM 0 H ALA A 69 14.501 1.642 -9.709 1.00 0.00 H new ATOM 0 HA ALA A 69 12.245 1.202 -11.578 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.699 1.297 -9.675 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.762 -0.126 -9.568 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.075 1.297 -8.546 1.00 0.00 H new ATOM 1063 N THR A 70 11.662 3.673 -11.361 1.00 0.00 N ATOM 1064 CA THR A 70 11.511 5.131 -11.418 1.00 0.00 C ATOM 1065 C THR A 70 10.835 5.652 -10.144 1.00 0.00 C ATOM 1066 O THR A 70 10.188 4.884 -9.404 1.00 0.00 O ATOM 1067 CB THR A 70 10.699 5.575 -12.677 1.00 0.00 C ATOM 1068 OG1 THR A 70 9.402 4.947 -12.671 1.00 0.00 O ATOM 1069 CG2 THR A 70 11.438 5.227 -13.985 1.00 0.00 C ATOM 0 H THR A 70 10.999 3.163 -11.946 1.00 0.00 H new ATOM 0 HA THR A 70 12.509 5.562 -11.492 1.00 0.00 H new ATOM 0 HB THR A 70 10.586 6.658 -12.633 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.897 5.231 -13.462 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.841 5.552 -14.837 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.403 5.734 -14.004 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.593 4.149 -14.040 1.00 0.00 H new ATOM 1077 N THR A 71 11.000 6.963 -9.902 1.00 0.00 N ATOM 1078 CA THR A 71 10.351 7.672 -8.795 1.00 0.00 C ATOM 1079 C THR A 71 8.822 7.514 -8.897 1.00 0.00 C ATOM 1080 O THR A 71 8.175 7.126 -7.938 1.00 0.00 O ATOM 1081 CB THR A 71 10.730 9.189 -8.832 1.00 0.00 C ATOM 1082 OG1 THR A 71 10.369 9.728 -10.120 1.00 0.00 O ATOM 1083 CG2 THR A 71 12.229 9.429 -8.583 1.00 0.00 C ATOM 0 H THR A 71 11.593 7.562 -10.476 1.00 0.00 H new ATOM 0 HA THR A 71 10.694 7.244 -7.853 1.00 0.00 H new ATOM 0 HB THR A 71 10.184 9.687 -8.031 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.601 10.680 -10.153 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.437 10.498 -8.620 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.502 9.039 -7.602 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.811 8.920 -9.351 1.00 0.00 H new ATOM 1091 N GLU A 72 8.293 7.834 -10.102 1.00 0.00 N ATOM 1092 CA GLU A 72 6.883 7.636 -10.506 1.00 0.00 C ATOM 1093 C GLU A 72 6.269 6.326 -9.986 1.00 0.00 C ATOM 1094 O GLU A 72 5.202 6.332 -9.366 1.00 0.00 O ATOM 1095 CB GLU A 72 6.781 7.662 -12.054 1.00 0.00 C ATOM 1096 CG GLU A 72 7.294 8.955 -12.711 1.00 0.00 C ATOM 1097 CD GLU A 72 7.320 8.857 -14.245 1.00 0.00 C ATOM 1098 OE1 GLU A 72 6.309 9.191 -14.892 1.00 0.00 O ATOM 1099 OE2 GLU A 72 8.344 8.413 -14.805 1.00 0.00 O ATOM 0 H GLU A 72 8.856 8.251 -10.843 1.00 0.00 H new ATOM 0 HA GLU A 72 6.316 8.452 -10.057 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.343 6.819 -12.456 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.739 7.515 -12.338 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.658 9.789 -12.413 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.298 9.173 -12.346 1.00 0.00 H new ATOM 1106 N GLN A 73 6.979 5.215 -10.222 1.00 0.00 N ATOM 1107 CA GLN A 73 6.479 3.868 -9.897 1.00 0.00 C ATOM 1108 C GLN A 73 6.174 3.725 -8.387 1.00 0.00 C ATOM 1109 O GLN A 73 5.188 3.076 -8.002 1.00 0.00 O ATOM 1110 CB GLN A 73 7.478 2.774 -10.345 1.00 0.00 C ATOM 1111 CG GLN A 73 6.946 1.332 -10.169 1.00 0.00 C ATOM 1112 CD GLN A 73 7.939 0.252 -10.578 1.00 0.00 C ATOM 1113 OE1 GLN A 73 7.919 -0.136 -11.838 1.00 0.00 O flip ATOM 1114 NE2 GLN A 73 8.715 -0.229 -9.767 1.00 0.00 N flip ATOM 0 H GLN A 73 7.909 5.221 -10.640 1.00 0.00 H new ATOM 0 HA GLN A 73 5.548 3.732 -10.448 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.730 2.933 -11.394 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.401 2.883 -9.775 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.671 1.182 -9.125 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.036 1.217 -10.758 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.706 0.093 -8.799 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.373 -0.953 -10.057 1.00 0.00 H new ATOM 1123 N TYR A 74 6.994 4.372 -7.535 1.00 0.00 N ATOM 1124 CA TYR A 74 6.868 4.239 -6.071 1.00 0.00 C ATOM 1125 C TYR A 74 6.411 5.543 -5.376 1.00 0.00 C ATOM 1126 O TYR A 74 6.219 5.541 -4.148 1.00 0.00 O ATOM 1127 CB TYR A 74 8.182 3.691 -5.447 1.00 0.00 C ATOM 1128 CG TYR A 74 8.538 2.247 -5.866 1.00 0.00 C ATOM 1129 CD1 TYR A 74 7.555 1.254 -5.984 1.00 0.00 C ATOM 1130 CD2 TYR A 74 9.850 1.878 -6.152 1.00 0.00 C ATOM 1131 CE1 TYR A 74 7.874 -0.039 -6.367 1.00 0.00 C ATOM 1132 CE2 TYR A 74 10.170 0.594 -6.529 1.00 0.00 C ATOM 1133 CZ TYR A 74 9.184 -0.360 -6.644 1.00 0.00 C ATOM 1134 OH TYR A 74 9.522 -1.641 -7.039 1.00 0.00 O ATOM 0 H TYR A 74 7.748 4.990 -7.835 1.00 0.00 H new ATOM 0 HA TYR A 74 6.074 3.513 -5.894 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.004 4.350 -5.726 1.00 0.00 H new ATOM 0 HB3 TYR A 74 8.097 3.730 -4.361 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.526 1.503 -5.772 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.634 2.617 -6.076 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.101 -0.789 -6.448 1.00 0.00 H new ATOM 0 HE2 TYR A 74 11.198 0.334 -6.735 1.00 0.00 H new ATOM 0 HH TYR A 74 10.216 -1.995 -6.444 1.00 0.00 H new ATOM 1144 N PHE A 75 6.185 6.640 -6.140 1.00 0.00 N ATOM 1145 CA PHE A 75 5.804 7.955 -5.556 1.00 0.00 C ATOM 1146 C PHE A 75 4.629 8.628 -6.307 1.00 0.00 C ATOM 1147 O PHE A 75 4.320 9.774 -6.009 1.00 0.00 O ATOM 1148 CB PHE A 75 7.028 8.916 -5.512 1.00 0.00 C ATOM 1149 CG PHE A 75 8.141 8.499 -4.547 1.00 0.00 C ATOM 1150 CD1 PHE A 75 7.924 8.502 -3.167 1.00 0.00 C ATOM 1151 CD2 PHE A 75 9.408 8.121 -5.013 1.00 0.00 C ATOM 1152 CE1 PHE A 75 8.931 8.141 -2.286 1.00 0.00 C ATOM 1153 CE2 PHE A 75 10.411 7.764 -4.130 1.00 0.00 C ATOM 1154 CZ PHE A 75 10.174 7.771 -2.767 1.00 0.00 C ATOM 0 H PHE A 75 6.259 6.643 -7.157 1.00 0.00 H new ATOM 0 HA PHE A 75 5.465 7.753 -4.540 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.447 8.993 -6.515 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.680 9.911 -5.234 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.957 8.790 -2.781 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.603 8.108 -6.075 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.745 8.149 -1.222 1.00 0.00 H new ATOM 0 HE2 PHE A 75 11.382 7.479 -4.506 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.958 7.488 -2.080 1.00 0.00 H new ATOM 1164 N VAL A 76 3.958 7.940 -7.246 1.00 0.00 N ATOM 1165 CA VAL A 76 2.685 8.447 -7.828 1.00 0.00 C ATOM 1166 C VAL A 76 1.537 7.702 -7.145 1.00 0.00 C ATOM 1167 O VAL A 76 1.554 6.479 -7.065 1.00 0.00 O ATOM 1168 CB VAL A 76 2.601 8.313 -9.396 1.00 0.00 C ATOM 1169 CG1 VAL A 76 1.197 8.681 -9.941 1.00 0.00 C ATOM 1170 CG2 VAL A 76 3.670 9.194 -10.073 1.00 0.00 C ATOM 0 H VAL A 76 4.264 7.042 -7.620 1.00 0.00 H new ATOM 0 HA VAL A 76 2.625 9.519 -7.643 1.00 0.00 H new ATOM 0 HB VAL A 76 2.787 7.266 -9.635 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.188 8.574 -11.026 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.452 8.016 -9.504 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.963 9.712 -9.677 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.596 9.088 -11.155 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.509 10.237 -9.799 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.661 8.881 -9.744 1.00 0.00 H new ATOM 1180 N LEU A 77 0.566 8.476 -6.658 1.00 0.00 N ATOM 1181 CA LEU A 77 -0.460 8.039 -5.694 1.00 0.00 C ATOM 1182 C LEU A 77 -1.400 6.916 -6.207 1.00 0.00 C ATOM 1183 O LEU A 77 -1.948 6.165 -5.393 1.00 0.00 O ATOM 1184 CB LEU A 77 -1.259 9.278 -5.236 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.397 10.467 -4.696 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -1.280 11.644 -4.280 1.00 0.00 C ATOM 1187 CD2 LEU A 77 0.548 10.028 -3.549 1.00 0.00 C ATOM 0 H LEU A 77 0.464 9.454 -6.928 1.00 0.00 H new ATOM 0 HA LEU A 77 0.062 7.581 -4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.856 9.635 -6.075 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.956 8.972 -4.456 1.00 0.00 H new ATOM 0 HG LEU A 77 0.239 10.803 -5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.654 12.455 -3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.852 11.992 -5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.964 11.325 -3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.126 10.886 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.042 9.634 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.226 9.255 -3.912 1.00 0.00 H new ATOM 1199 N LYS A 78 -1.588 6.807 -7.538 1.00 0.00 N ATOM 1200 CA LYS A 78 -2.371 5.693 -8.149 1.00 0.00 C ATOM 1201 C LYS A 78 -1.571 4.374 -8.066 1.00 0.00 C ATOM 1202 O LYS A 78 -2.122 3.312 -7.747 1.00 0.00 O ATOM 1203 CB LYS A 78 -2.739 6.023 -9.626 1.00 0.00 C ATOM 1204 CG LYS A 78 -1.531 6.237 -10.563 1.00 0.00 C ATOM 1205 CD LYS A 78 -1.925 6.668 -11.985 1.00 0.00 C ATOM 1206 CE LYS A 78 -0.699 6.881 -12.887 1.00 0.00 C ATOM 1207 NZ LYS A 78 -1.080 7.316 -14.248 1.00 0.00 N ATOM 0 H LYS A 78 -1.213 7.471 -8.216 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.299 5.573 -7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.350 5.212 -10.023 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.355 6.922 -9.640 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.876 6.994 -10.131 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.956 5.312 -10.618 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.572 5.910 -12.427 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.503 7.591 -11.936 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.044 7.628 -12.438 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.129 5.954 -12.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.223 7.448 -14.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.684 6.592 -14.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.601 8.214 -14.192 1.00 0.00 H new ATOM 1221 N ASN A 79 -0.252 4.488 -8.329 1.00 0.00 N ATOM 1222 CA ASN A 79 0.700 3.360 -8.289 1.00 0.00 C ATOM 1223 C ASN A 79 0.920 2.945 -6.833 1.00 0.00 C ATOM 1224 O ASN A 79 1.072 1.769 -6.528 1.00 0.00 O ATOM 1225 CB ASN A 79 2.056 3.759 -8.937 1.00 0.00 C ATOM 1226 CG ASN A 79 1.934 4.260 -10.376 1.00 0.00 C ATOM 1227 OD1 ASN A 79 1.066 3.827 -11.130 1.00 0.00 O ATOM 1228 ND2 ASN A 79 2.813 5.165 -10.774 1.00 0.00 N ATOM 0 H ASN A 79 0.185 5.375 -8.578 1.00 0.00 H new ATOM 0 HA ASN A 79 0.286 2.525 -8.855 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.522 4.536 -8.331 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.723 2.897 -8.918 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.781 5.522 -11.729 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.523 5.506 -10.126 1.00 0.00 H new ATOM 1235 N LEU A 80 0.908 3.961 -5.949 1.00 0.00 N ATOM 1236 CA LEU A 80 1.050 3.804 -4.501 1.00 0.00 C ATOM 1237 C LEU A 80 -0.089 2.954 -3.957 1.00 0.00 C ATOM 1238 O LEU A 80 0.153 1.892 -3.388 1.00 0.00 O ATOM 1239 CB LEU A 80 1.092 5.199 -3.823 1.00 0.00 C ATOM 1240 CG LEU A 80 1.162 5.229 -2.260 1.00 0.00 C ATOM 1241 CD1 LEU A 80 2.436 4.531 -1.723 1.00 0.00 C ATOM 1242 CD2 LEU A 80 1.033 6.677 -1.730 1.00 0.00 C ATOM 0 H LEU A 80 0.796 4.934 -6.235 1.00 0.00 H new ATOM 0 HA LEU A 80 1.986 3.292 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.956 5.738 -4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.206 5.753 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 80 0.313 4.659 -1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.444 4.575 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.443 3.489 -2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.320 5.036 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.084 6.672 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.846 7.284 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.078 7.096 -2.046 1.00 0.00 H new ATOM 1254 N ALA A 81 -1.326 3.403 -4.225 1.00 0.00 N ATOM 1255 CA ALA A 81 -2.551 2.733 -3.758 1.00 0.00 C ATOM 1256 C ALA A 81 -2.668 1.309 -4.325 1.00 0.00 C ATOM 1257 O ALA A 81 -3.246 0.424 -3.681 1.00 0.00 O ATOM 1258 CB ALA A 81 -3.769 3.576 -4.126 1.00 0.00 C ATOM 0 H ALA A 81 -1.505 4.244 -4.774 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.502 2.638 -2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.674 3.078 -3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.690 4.555 -3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.814 3.698 -5.208 1.00 0.00 H new ATOM 1264 N ALA A 82 -2.095 1.099 -5.528 1.00 0.00 N ATOM 1265 CA ALA A 82 -2.027 -0.225 -6.156 1.00 0.00 C ATOM 1266 C ALA A 82 -1.126 -1.165 -5.336 1.00 0.00 C ATOM 1267 O ALA A 82 -1.552 -2.242 -4.957 1.00 0.00 O ATOM 1268 CB ALA A 82 -1.516 -0.100 -7.598 1.00 0.00 C ATOM 0 H ALA A 82 -1.670 1.841 -6.084 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.029 -0.654 -6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.469 -1.089 -8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.194 0.533 -8.171 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.521 0.345 -7.594 1.00 0.00 H new ATOM 1274 N ARG A 83 0.108 -0.698 -5.037 1.00 0.00 N ATOM 1275 CA ARG A 83 1.134 -1.460 -4.272 1.00 0.00 C ATOM 1276 C ARG A 83 0.650 -1.815 -2.853 1.00 0.00 C ATOM 1277 O ARG A 83 0.930 -2.905 -2.349 1.00 0.00 O ATOM 1278 CB ARG A 83 2.446 -0.631 -4.187 1.00 0.00 C ATOM 1279 CG ARG A 83 3.252 -0.534 -5.510 1.00 0.00 C ATOM 1280 CD ARG A 83 3.973 0.815 -5.664 1.00 0.00 C ATOM 1281 NE ARG A 83 4.697 1.229 -4.446 1.00 0.00 N ATOM 1282 CZ ARG A 83 4.766 2.491 -3.989 1.00 0.00 C ATOM 1283 NH1 ARG A 83 4.117 3.465 -4.605 1.00 0.00 N ATOM 1284 NH2 ARG A 83 5.509 2.781 -2.950 1.00 0.00 N ATOM 0 H ARG A 83 0.427 0.228 -5.321 1.00 0.00 H new ATOM 0 HA ARG A 83 1.316 -2.395 -4.802 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.199 0.378 -3.856 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.086 -1.070 -3.422 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.985 -1.340 -5.545 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.578 -0.680 -6.354 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.677 0.751 -6.493 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.244 1.582 -5.924 1.00 0.00 H new ATOM 0 HE ARG A 83 5.179 0.505 -3.913 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.558 3.261 -5.434 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.175 4.420 -4.251 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.040 2.047 -2.482 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.556 3.741 -2.609 1.00 0.00 H new ATOM 1298 N ILE A 84 -0.059 -0.865 -2.220 1.00 0.00 N ATOM 1299 CA ILE A 84 -0.680 -1.058 -0.897 1.00 0.00 C ATOM 1300 C ILE A 84 -1.717 -2.190 -0.978 1.00 0.00 C ATOM 1301 O ILE A 84 -1.728 -3.095 -0.143 1.00 0.00 O ATOM 1302 CB ILE A 84 -1.362 0.270 -0.408 1.00 0.00 C ATOM 1303 CG1 ILE A 84 -0.313 1.430 -0.348 1.00 0.00 C ATOM 1304 CG2 ILE A 84 -2.065 0.081 0.966 1.00 0.00 C ATOM 1305 CD1 ILE A 84 -0.913 2.820 -0.293 1.00 0.00 C ATOM 0 H ILE A 84 -0.219 0.063 -2.613 1.00 0.00 H new ATOM 0 HA ILE A 84 0.094 -1.328 -0.178 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.133 0.537 -1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.319 1.286 0.529 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.335 1.362 -1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.525 1.021 1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.833 -0.688 0.879 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.330 -0.223 1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.114 3.560 -0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.521 2.989 -1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.537 2.912 0.596 1.00 0.00 H new ATOM 1317 N ASP A 85 -2.550 -2.140 -2.036 1.00 0.00 N ATOM 1318 CA ASP A 85 -3.605 -3.139 -2.292 1.00 0.00 C ATOM 1319 C ASP A 85 -3.008 -4.512 -2.681 1.00 0.00 C ATOM 1320 O ASP A 85 -3.614 -5.549 -2.405 1.00 0.00 O ATOM 1321 CB ASP A 85 -4.570 -2.625 -3.388 1.00 0.00 C ATOM 1322 CG ASP A 85 -5.724 -3.600 -3.666 1.00 0.00 C ATOM 1323 OD1 ASP A 85 -6.673 -3.658 -2.858 1.00 0.00 O ATOM 1324 OD2 ASP A 85 -5.680 -4.330 -4.676 1.00 0.00 O ATOM 0 H ASP A 85 -2.509 -1.403 -2.739 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.166 -3.282 -1.369 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.979 -1.662 -3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.011 -2.457 -4.309 1.00 0.00 H new ATOM 1329 N GLU A 86 -1.812 -4.498 -3.307 1.00 0.00 N ATOM 1330 CA GLU A 86 -1.049 -5.721 -3.617 1.00 0.00 C ATOM 1331 C GLU A 86 -0.637 -6.419 -2.316 1.00 0.00 C ATOM 1332 O GLU A 86 -0.598 -7.640 -2.255 1.00 0.00 O ATOM 1333 CB GLU A 86 0.221 -5.387 -4.442 1.00 0.00 C ATOM 1334 CG GLU A 86 -0.023 -4.806 -5.847 1.00 0.00 C ATOM 1335 CD GLU A 86 -0.761 -5.757 -6.794 1.00 0.00 C ATOM 1336 OE1 GLU A 86 -0.125 -6.698 -7.308 1.00 0.00 O ATOM 1337 OE2 GLU A 86 -1.968 -5.564 -7.044 1.00 0.00 O ATOM 0 H GLU A 86 -1.351 -3.640 -3.610 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.687 -6.380 -4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.822 -4.676 -3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.814 -6.296 -4.544 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.598 -3.885 -5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.936 -4.540 -6.291 1.00 0.00 H new ATOM 1344 N LEU A 87 -0.318 -5.599 -1.295 1.00 0.00 N ATOM 1345 CA LEU A 87 0.069 -6.066 0.044 1.00 0.00 C ATOM 1346 C LEU A 87 -1.163 -6.424 0.901 1.00 0.00 C ATOM 1347 O LEU A 87 -1.043 -7.222 1.821 1.00 0.00 O ATOM 1348 CB LEU A 87 0.942 -4.987 0.732 1.00 0.00 C ATOM 1349 CG LEU A 87 2.328 -4.743 0.053 1.00 0.00 C ATOM 1350 CD1 LEU A 87 3.001 -3.474 0.587 1.00 0.00 C ATOM 1351 CD2 LEU A 87 3.249 -5.978 0.209 1.00 0.00 C ATOM 0 H LEU A 87 -0.323 -4.583 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 87 0.652 -6.981 -0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.390 -4.047 0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.106 -5.278 1.769 1.00 0.00 H new ATOM 0 HG LEU A 87 2.151 -4.592 -1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.962 -3.336 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.364 -2.613 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.156 -3.569 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.207 -5.781 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.410 -6.180 1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.779 -6.844 -0.258 1.00 0.00 H new ATOM 1363 N VAL A 88 -2.333 -5.812 0.608 1.00 0.00 N ATOM 1364 CA VAL A 88 -3.623 -6.174 1.248 1.00 0.00 C ATOM 1365 C VAL A 88 -4.065 -7.574 0.767 1.00 0.00 C ATOM 1366 O VAL A 88 -4.503 -8.421 1.564 1.00 0.00 O ATOM 1367 CB VAL A 88 -4.735 -5.087 0.954 1.00 0.00 C ATOM 1368 CG1 VAL A 88 -6.140 -5.542 1.432 1.00 0.00 C ATOM 1369 CG2 VAL A 88 -4.353 -3.722 1.595 1.00 0.00 C ATOM 0 H VAL A 88 -2.412 -5.058 -0.074 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.483 -6.202 2.329 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.786 -4.965 -0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.870 -4.764 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.420 -6.461 0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.118 -5.722 2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.131 -2.989 1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.254 -3.842 2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.406 -3.378 1.180 1.00 0.00 H new ATOM 1379 N ALA A 89 -3.888 -7.808 -0.543 1.00 0.00 N ATOM 1380 CA ALA A 89 -4.154 -9.103 -1.184 1.00 0.00 C ATOM 1381 C ALA A 89 -3.107 -10.136 -0.733 1.00 0.00 C ATOM 1382 O ALA A 89 -3.434 -11.307 -0.479 1.00 0.00 O ATOM 1383 CB ALA A 89 -4.147 -8.940 -2.712 1.00 0.00 C ATOM 0 H ALA A 89 -3.553 -7.096 -1.192 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.138 -9.462 -0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.345 -9.904 -3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.918 -8.228 -3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.173 -8.573 -3.034 1.00 0.00 H new ATOM 1389 N ALA A 90 -1.842 -9.679 -0.627 1.00 0.00 N ATOM 1390 CA ALA A 90 -0.725 -10.502 -0.128 1.00 0.00 C ATOM 1391 C ALA A 90 -0.877 -10.803 1.364 1.00 0.00 C ATOM 1392 O ALA A 90 -0.325 -11.770 1.841 1.00 0.00 O ATOM 1393 CB ALA A 90 0.625 -9.826 -0.396 1.00 0.00 C ATOM 0 H ALA A 90 -1.568 -8.731 -0.885 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.753 -11.446 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.429 -10.457 -0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.753 -9.681 -1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.654 -8.859 0.107 1.00 0.00 H new ATOM 1399 N LYS A 91 -1.599 -9.944 2.101 1.00 0.00 N ATOM 1400 CA LYS A 91 -1.948 -10.193 3.516 1.00 0.00 C ATOM 1401 C LYS A 91 -3.012 -11.299 3.591 1.00 0.00 C ATOM 1402 O LYS A 91 -2.938 -12.186 4.448 1.00 0.00 O ATOM 1403 CB LYS A 91 -2.437 -8.864 4.179 1.00 0.00 C ATOM 1404 CG LYS A 91 -2.875 -8.915 5.682 1.00 0.00 C ATOM 1405 CD LYS A 91 -4.341 -9.390 5.916 1.00 0.00 C ATOM 1406 CE LYS A 91 -5.367 -8.569 5.120 1.00 0.00 C ATOM 1407 NZ LYS A 91 -6.753 -9.005 5.361 1.00 0.00 N ATOM 0 H LYS A 91 -1.958 -9.061 1.739 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.072 -10.533 4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -1.636 -8.130 4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.279 -8.490 3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.201 -9.581 6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.755 -7.922 6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.427 -10.440 5.636 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.575 -9.323 6.979 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.270 -7.517 5.387 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.145 -8.650 4.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.404 -8.419 4.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.857 -10.001 5.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.978 -8.903 6.371 1.00 0.00 H new ATOM 1421 N GLY A 92 -3.975 -11.259 2.653 1.00 0.00 N ATOM 1422 CA GLY A 92 -5.143 -12.148 2.685 1.00 0.00 C ATOM 1423 C GLY A 92 -4.868 -13.564 2.182 1.00 0.00 C ATOM 1424 O GLY A 92 -5.782 -14.396 2.162 1.00 0.00 O ATOM 0 H GLY A 92 -3.964 -10.616 1.861 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.515 -12.204 3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.937 -11.708 2.081 1.00 0.00 H new ATOM 1428 N ALA A 93 -3.608 -13.843 1.793 1.00 0.00 N ATOM 1429 CA ALA A 93 -3.191 -15.168 1.282 1.00 0.00 C ATOM 1430 C ALA A 93 -1.759 -15.518 1.746 1.00 0.00 C ATOM 1431 O ALA A 93 -1.486 -16.669 2.112 1.00 0.00 O ATOM 1432 CB ALA A 93 -3.300 -15.179 -0.252 1.00 0.00 C ATOM 0 H ALA A 93 -2.851 -13.160 1.823 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.854 -15.932 1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.993 -16.154 -0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -4.332 -14.984 -0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.652 -14.407 -0.668 1.00 0.00 H new ATOM 1438 N LEU A 94 -0.858 -14.518 1.671 1.00 0.00 N ATOM 1439 CA LEU A 94 0.554 -14.613 2.154 1.00 0.00 C ATOM 1440 C LEU A 94 1.386 -15.588 1.291 1.00 0.00 C ATOM 1441 O LEU A 94 2.387 -16.141 1.751 1.00 0.00 O ATOM 1442 CB LEU A 94 0.604 -14.973 3.676 1.00 0.00 C ATOM 1443 CG LEU A 94 0.021 -13.903 4.665 1.00 0.00 C ATOM 1444 CD1 LEU A 94 -0.072 -14.464 6.100 1.00 0.00 C ATOM 1445 CD2 LEU A 94 0.857 -12.602 4.645 1.00 0.00 C ATOM 0 H LEU A 94 -1.083 -13.607 1.271 1.00 0.00 H new ATOM 0 HA LEU A 94 1.014 -13.631 2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.062 -15.907 3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.642 -15.161 3.949 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.986 -13.662 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.479 -13.701 6.763 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.724 -15.337 6.108 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.922 -14.751 6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.426 -11.882 5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.882 -12.824 4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.852 -12.182 3.639 1.00 0.00 H new ATOM 1457 N GLU A 95 0.968 -15.744 0.020 1.00 0.00 N ATOM 1458 CA GLU A 95 1.624 -16.629 -0.967 1.00 0.00 C ATOM 1459 C GLU A 95 3.004 -16.083 -1.359 1.00 0.00 C ATOM 1460 O GLU A 95 3.992 -16.829 -1.401 1.00 0.00 O ATOM 1461 CB GLU A 95 0.732 -16.745 -2.228 1.00 0.00 C ATOM 1462 CG GLU A 95 -0.692 -17.252 -1.943 1.00 0.00 C ATOM 1463 CD GLU A 95 -1.631 -17.087 -3.144 1.00 0.00 C ATOM 1464 OE1 GLU A 95 -2.044 -15.945 -3.422 1.00 0.00 O ATOM 1465 OE2 GLU A 95 -1.949 -18.085 -3.822 1.00 0.00 O ATOM 0 H GLU A 95 0.156 -15.254 -0.356 1.00 0.00 H new ATOM 0 HA GLU A 95 1.759 -17.613 -0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.670 -15.768 -2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.211 -17.419 -2.939 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.649 -18.304 -1.663 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.102 -16.711 -1.090 1.00 0.00 H new ATOM 1472 N HIS A 96 3.045 -14.769 -1.661 1.00 0.00 N ATOM 1473 CA HIS A 96 4.287 -14.060 -2.000 1.00 0.00 C ATOM 1474 C HIS A 96 4.646 -13.084 -0.866 1.00 0.00 C ATOM 1475 O HIS A 96 3.778 -12.369 -0.341 1.00 0.00 O ATOM 1476 CB HIS A 96 4.175 -13.334 -3.370 1.00 0.00 C ATOM 1477 CG HIS A 96 3.194 -12.189 -3.431 1.00 0.00 C ATOM 1478 ND1 HIS A 96 3.586 -10.870 -3.419 1.00 0.00 N ATOM 1479 CD2 HIS A 96 1.842 -12.173 -3.534 1.00 0.00 C ATOM 1480 CE1 HIS A 96 2.527 -10.095 -3.512 1.00 0.00 C ATOM 1481 NE2 HIS A 96 1.451 -10.858 -3.588 1.00 0.00 N ATOM 0 H HIS A 96 2.217 -14.174 -1.676 1.00 0.00 H new ATOM 0 HA HIS A 96 5.092 -14.788 -2.102 1.00 0.00 H new ATOM 0 HB2 HIS A 96 5.161 -12.957 -3.641 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.895 -14.067 -4.126 1.00 0.00 H new ATOM 0 HD2 HIS A 96 1.193 -13.035 -3.567 1.00 0.00 H new ATOM 0 HE1 HIS A 96 2.536 -9.015 -3.524 1.00 0.00 H new ATOM 0 HE2 HIS A 96 0.490 -10.526 -3.673 1.00 0.00 H new ATOM 1490 N HIS A 97 5.925 -13.104 -0.488 1.00 0.00 N ATOM 1491 CA HIS A 97 6.503 -12.224 0.537 1.00 0.00 C ATOM 1492 C HIS A 97 7.962 -11.916 0.166 1.00 0.00 C ATOM 1493 O HIS A 97 8.551 -12.611 -0.672 1.00 0.00 O ATOM 1494 CB HIS A 97 6.412 -12.878 1.951 1.00 0.00 C ATOM 1495 CG HIS A 97 7.159 -14.192 2.110 1.00 0.00 C ATOM 1496 ND1 HIS A 97 6.536 -15.419 2.161 1.00 0.00 N ATOM 1497 CD2 HIS A 97 8.482 -14.452 2.248 1.00 0.00 C ATOM 1498 CE1 HIS A 97 7.444 -16.369 2.312 1.00 0.00 C ATOM 1499 NE2 HIS A 97 8.635 -15.811 2.369 1.00 0.00 N ATOM 0 H HIS A 97 6.606 -13.746 -0.893 1.00 0.00 H new ATOM 0 HA HIS A 97 5.936 -11.294 0.574 1.00 0.00 H new ATOM 0 HB2 HIS A 97 6.796 -12.170 2.686 1.00 0.00 H new ATOM 0 HB3 HIS A 97 5.361 -13.046 2.188 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.276 -13.720 2.261 1.00 0.00 H new ATOM 0 HE1 HIS A 97 7.242 -17.428 2.378 1.00 0.00 H new ATOM 0 HE2 HIS A 97 9.520 -16.304 2.484 1.00 0.00 H new ATOM 1508 N HIS A 98 8.539 -10.899 0.815 1.00 0.00 N ATOM 1509 CA HIS A 98 9.942 -10.508 0.608 1.00 0.00 C ATOM 1510 C HIS A 98 10.521 -10.010 1.943 1.00 0.00 C ATOM 1511 O HIS A 98 10.257 -8.873 2.349 1.00 0.00 O ATOM 1512 CB HIS A 98 10.037 -9.423 -0.500 1.00 0.00 C ATOM 1513 CG HIS A 98 11.445 -8.982 -0.813 1.00 0.00 C ATOM 1514 ND1 HIS A 98 11.981 -7.794 -0.365 1.00 0.00 N ATOM 1515 CD2 HIS A 98 12.414 -9.573 -1.548 1.00 0.00 C ATOM 1516 CE1 HIS A 98 13.225 -7.685 -0.791 1.00 0.00 C ATOM 1517 NE2 HIS A 98 13.508 -8.750 -1.514 1.00 0.00 N ATOM 0 H HIS A 98 8.049 -10.322 1.499 1.00 0.00 H new ATOM 0 HA HIS A 98 10.527 -11.365 0.273 1.00 0.00 H new ATOM 0 HB2 HIS A 98 9.578 -9.808 -1.410 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.456 -8.554 -0.193 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.339 -10.518 -2.065 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.896 -6.864 -0.583 1.00 0.00 H new ATOM 0 HE2 HIS A 98 14.400 -8.932 -1.975 1.00 0.00 H new ATOM 1526 N HIS A 99 11.279 -10.907 2.613 1.00 0.00 N ATOM 1527 CA HIS A 99 11.875 -10.693 3.948 1.00 0.00 C ATOM 1528 C HIS A 99 10.780 -10.493 5.015 1.00 0.00 C ATOM 1529 O HIS A 99 10.250 -9.391 5.173 1.00 0.00 O ATOM 1530 CB HIS A 99 12.903 -9.524 3.963 1.00 0.00 C ATOM 1531 CG HIS A 99 14.164 -9.792 3.189 1.00 0.00 C ATOM 1532 ND1 HIS A 99 15.347 -10.157 3.786 1.00 0.00 N ATOM 1533 CD2 HIS A 99 14.421 -9.736 1.863 1.00 0.00 C ATOM 1534 CE1 HIS A 99 16.274 -10.315 2.866 1.00 0.00 C ATOM 1535 NE2 HIS A 99 15.740 -10.065 1.686 1.00 0.00 N ATOM 0 H HIS A 99 11.498 -11.826 2.227 1.00 0.00 H new ATOM 0 HA HIS A 99 12.432 -11.597 4.196 1.00 0.00 H new ATOM 0 HB2 HIS A 99 12.426 -8.632 3.557 1.00 0.00 H new ATOM 0 HB3 HIS A 99 13.167 -9.302 4.997 1.00 0.00 H new ATOM 0 HD2 HIS A 99 13.716 -9.479 1.086 1.00 0.00 H new ATOM 0 HE1 HIS A 99 17.300 -10.601 3.046 1.00 0.00 H new ATOM 0 HE2 HIS A 99 16.227 -10.109 0.791 1.00 0.00 H new ATOM 1544 N HIS A 100 10.438 -11.581 5.738 1.00 0.00 N ATOM 1545 CA HIS A 100 9.460 -11.548 6.859 1.00 0.00 C ATOM 1546 C HIS A 100 10.184 -11.185 8.180 1.00 0.00 C ATOM 1547 O HIS A 100 9.881 -11.721 9.252 1.00 0.00 O ATOM 1548 CB HIS A 100 8.702 -12.913 6.948 1.00 0.00 C ATOM 1549 CG HIS A 100 9.540 -14.122 7.315 1.00 0.00 C ATOM 1550 ND1 HIS A 100 10.301 -14.824 6.403 1.00 0.00 N ATOM 1551 CD2 HIS A 100 9.720 -14.757 8.503 1.00 0.00 C ATOM 1552 CE1 HIS A 100 10.912 -15.822 7.019 1.00 0.00 C ATOM 1553 NE2 HIS A 100 10.575 -15.804 8.289 1.00 0.00 N ATOM 0 H HIS A 100 10.828 -12.507 5.566 1.00 0.00 H new ATOM 0 HA HIS A 100 8.712 -10.776 6.677 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.903 -12.814 7.683 1.00 0.00 H new ATOM 0 HB3 HIS A 100 8.227 -13.105 5.986 1.00 0.00 H new ATOM 0 HD2 HIS A 100 9.270 -14.485 9.446 1.00 0.00 H new ATOM 0 HE1 HIS A 100 11.578 -16.534 6.555 1.00 0.00 H new ATOM 0 HE2 HIS A 100 10.898 -16.462 8.998 1.00 0.00 H new ATOM 1562 N HIS A 101 11.088 -10.189 8.080 1.00 0.00 N ATOM 1563 CA HIS A 101 12.002 -9.791 9.156 1.00 0.00 C ATOM 1564 C HIS A 101 11.203 -9.097 10.287 1.00 0.00 C ATOM 1565 O HIS A 101 10.715 -7.968 10.071 1.00 0.00 O ATOM 1566 CB HIS A 101 13.118 -8.863 8.583 1.00 0.00 C ATOM 1567 CG HIS A 101 14.226 -8.561 9.551 1.00 0.00 C ATOM 1568 ND1 HIS A 101 15.458 -9.171 9.487 1.00 0.00 N ATOM 1569 CD2 HIS A 101 14.294 -7.704 10.595 1.00 0.00 C ATOM 1570 CE1 HIS A 101 16.230 -8.707 10.443 1.00 0.00 C ATOM 1571 NE2 HIS A 101 15.549 -7.814 11.129 1.00 0.00 N ATOM 1572 OXT HIS A 101 11.055 -9.689 11.370 1.00 0.00 O ATOM 0 H HIS A 101 11.201 -9.633 7.232 1.00 0.00 H new ATOM 0 HA HIS A 101 12.486 -10.671 9.579 1.00 0.00 H new ATOM 0 HB2 HIS A 101 13.544 -9.331 7.696 1.00 0.00 H new ATOM 0 HB3 HIS A 101 12.665 -7.925 8.262 1.00 0.00 H new ATOM 0 HD2 HIS A 101 13.505 -7.054 10.943 1.00 0.00 H new ATOM 0 HE1 HIS A 101 17.250 -9.007 10.634 1.00 0.00 H new ATOM 0 HE2 HIS A 101 15.900 -7.289 11.930 1.00 0.00 H new TER 1581 HIS A 101 HETATM 1582 P24 PNS A 102 14.205 8.835 0.582 1.00 0.00 P HETATM 1583 O25 PNS A 102 13.983 7.901 -0.537 1.00 0.00 O HETATM 1584 O26 PNS A 102 14.432 8.288 1.940 1.00 0.00 O HETATM 1585 O27 PNS A 102 15.338 9.897 0.193 1.00 0.00 O HETATM 1586 C28 PNS A 102 15.734 10.972 1.054 1.00 0.00 C HETATM 1587 C29 PNS A 102 16.469 12.067 0.212 1.00 0.00 C HETATM 1588 C30 PNS A 102 17.591 11.369 -0.633 1.00 0.00 C HETATM 1589 C31 PNS A 102 17.116 13.119 1.162 1.00 0.00 C HETATM 1590 C32 PNS A 102 15.397 12.756 -0.737 1.00 0.00 C HETATM 1591 O33 PNS A 102 14.557 13.635 0.037 1.00 0.00 O HETATM 1592 C34 PNS A 102 16.044 13.572 -1.875 1.00 0.00 C HETATM 1593 O35 PNS A 102 16.116 13.079 -2.999 1.00 0.00 O HETATM 1594 N36 PNS A 102 16.541 14.791 -1.578 1.00 0.00 N HETATM 1595 C37 PNS A 102 17.185 15.676 -2.598 1.00 0.00 C HETATM 1596 C38 PNS A 102 16.195 16.567 -3.395 1.00 0.00 C HETATM 1597 C39 PNS A 102 15.138 15.814 -4.227 1.00 0.00 C HETATM 1598 O40 PNS A 102 13.930 15.954 -3.986 1.00 0.00 O HETATM 1599 N41 PNS A 102 15.608 15.008 -5.204 1.00 0.00 N HETATM 1600 C42 PNS A 102 14.738 14.203 -6.097 1.00 0.00 C HETATM 1601 C43 PNS A 102 13.982 13.082 -5.388 1.00 0.00 C HETATM 1602 S44 PNS A 102 12.979 12.106 -6.525 1.00 0.00 S HETATM 0 H432 PNS A 102 14.694 12.429 -4.884 1.00 0.00 H new HETATM 0 H431 PNS A 102 13.341 13.510 -4.617 1.00 0.00 H new HETATM 0 H422 PNS A 102 15.350 13.770 -6.888 1.00 0.00 H new HETATM 0 H421 PNS A 102 14.018 14.865 -6.577 1.00 0.00 H new HETATM 0 H382 PNS A 102 16.769 17.207 -4.065 1.00 0.00 H new HETATM 0 H381 PNS A 102 15.679 17.222 -2.693 1.00 0.00 H new HETATM 0 H372 PNS A 102 17.741 15.055 -3.300 1.00 0.00 H new HETATM 0 H371 PNS A 102 17.910 16.318 -2.098 1.00 0.00 H new HETATM 0 H313 PNS A 102 17.626 13.879 0.570 1.00 0.00 H new HETATM 0 H312 PNS A 102 17.835 12.625 1.816 1.00 0.00 H new HETATM 0 H311 PNS A 102 16.340 13.590 1.766 1.00 0.00 H new HETATM 0 H303 PNS A 102 18.116 12.116 -1.228 1.00 0.00 H new HETATM 0 H302 PNS A 102 17.141 10.629 -1.295 1.00 0.00 H new HETATM 0 H301 PNS A 102 18.297 10.876 0.036 1.00 0.00 H new HETATM 0 H282 PNS A 102 16.391 10.600 1.840 1.00 0.00 H new HETATM 0 H281 PNS A 102 14.860 11.400 1.545 1.00 0.00 H new HETATM 0 H44 PNS A 102 12.363 11.169 -5.866 1.00 0.00 H new HETATM 0 H41 PNS A 102 16.618 14.949 -5.335 1.00 0.00 H new HETATM 0 H36 PNS A 102 16.475 15.124 -0.616 1.00 0.00 H new HETATM 0 H33 PNS A 102 14.083 14.248 -0.564 1.00 0.00 H new HETATM 0 H32 PNS A 102 14.815 11.953 -1.189 1.00 0.00 H new