USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 657 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 69 THR OG1 : rot 180:sc= 0.917 USER MOD Set 1.2: A 72 SER OG : rot 77:sc= 1.07 USER MOD Set 2.1: A 9 ASN : amide:sc= 1.06 K(o=2.4,f=-10!) USER MOD Set 2.2: A 21 LYS NZ :NH3+ 135:sc= 1.32 (180deg=0) USER MOD Single : A 1 MET CE :methyl 169:sc=-0.00795 (180deg=-0.185) USER MOD Single : A 1 MET N :NH3+ 151:sc= 1.21 (180deg=0.918) USER MOD Single : A 2 GLN :FLIP amide:sc= 0.0346 F(o=-1.6!,f=0.035) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.277 F(o=-0.8,f=-0.28) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0.031) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot -30:sc= 0.226 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -131:sc= 0.49 USER MOD Single : A 33 ASN : amide:sc= -0.0814 X(o=-0.081,f=0) USER MOD Single : A 40 MET CE :methyl -172:sc=-0.00341 (180deg=-0.116) USER MOD Single : A 44 ASN : amide:sc= -0.0107 K(o=-0.011,f=-0.69) USER MOD Single : A 47 THR OG1 : rot 82:sc= 0.782 USER MOD Single : A 52 TYR OH : rot -129:sc= 0.3 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.29 USER MOD Single : A 65 GLN : amide:sc= -0.0347 X(o=-0.035,f=-0.035) USER MOD Single : A 66 THR OG1 : rot -156:sc= 0.607 USER MOD Single : A 79 HIS : no HD1:sc= -0.0706 X(o=-0.071,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 158:sc= 1 (180deg=0.611) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.547 K(o=0.55,f=-2.3!) USER MOD Single : A 84 PNS O33 : rot 180:sc= -0.0173 USER MOD Single : A 84 PNS S44 : rot -148:sc= -2.74! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.533 -8.594 -4.971 1.00 0.00 N ATOM 2 CA MET A 1 -7.064 -8.437 -4.943 1.00 0.00 C ATOM 3 C MET A 1 -6.394 -9.653 -4.295 1.00 0.00 C ATOM 4 O MET A 1 -6.965 -10.306 -3.420 1.00 0.00 O ATOM 5 CB MET A 1 -6.653 -7.142 -4.184 1.00 0.00 C ATOM 6 CG MET A 1 -7.068 -5.845 -4.879 1.00 0.00 C ATOM 7 SD MET A 1 -8.869 -5.657 -5.038 1.00 0.00 S ATOM 8 CE MET A 1 -9.392 -5.493 -3.323 1.00 0.00 C ATOM 0 H1 MET A 1 -8.983 -7.657 -4.934 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.814 -9.079 -5.847 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.838 -9.157 -4.151 1.00 0.00 H new ATOM 0 HA MET A 1 -6.725 -8.358 -5.976 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.095 -7.164 -3.188 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.571 -7.140 -4.053 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.669 -4.998 -4.320 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.618 -5.813 -5.871 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.435 -5.179 -3.289 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.286 -6.452 -2.817 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.772 -4.748 -2.823 1.00 0.00 H new ATOM 18 N GLN A 2 -5.184 -9.955 -4.765 1.00 0.00 N ATOM 19 CA GLN A 2 -4.286 -10.947 -4.154 1.00 0.00 C ATOM 20 C GLN A 2 -3.227 -10.246 -3.278 1.00 0.00 C ATOM 21 O GLN A 2 -2.859 -10.759 -2.216 1.00 0.00 O ATOM 22 CB GLN A 2 -3.614 -11.852 -5.237 1.00 0.00 C ATOM 23 CG GLN A 2 -3.137 -11.128 -6.530 1.00 0.00 C ATOM 24 CD GLN A 2 -4.175 -11.176 -7.662 1.00 0.00 C ATOM 25 OE1 GLN A 2 -5.001 -10.155 -7.786 1.00 0.00 O flip ATOM 26 NE2 GLN A 2 -4.203 -12.119 -8.449 1.00 0.00 N flip ATOM 0 H GLN A 2 -4.789 -9.512 -5.595 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.884 -11.597 -3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.756 -12.349 -4.785 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.321 -12.632 -5.521 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -2.911 -10.088 -6.295 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.210 -11.585 -6.875 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -3.555 -12.898 -8.334 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -4.874 -12.123 -9.217 1.00 0.00 H new ATOM 35 N HIS A 3 -2.792 -9.039 -3.712 1.00 0.00 N ATOM 36 CA HIS A 3 -1.610 -8.347 -3.156 1.00 0.00 C ATOM 37 C HIS A 3 -1.848 -7.718 -1.781 1.00 0.00 C ATOM 38 O HIS A 3 -0.872 -7.467 -1.081 1.00 0.00 O ATOM 39 CB HIS A 3 -1.069 -7.278 -4.139 1.00 0.00 C ATOM 40 CG HIS A 3 -0.331 -7.843 -5.323 1.00 0.00 C ATOM 41 ND1 HIS A 3 -0.224 -7.416 -6.597 1.00 0.00 N flip ATOM 42 CD2 HIS A 3 0.448 -8.968 -5.243 1.00 0.00 C flip ATOM 43 CE1 HIS A 3 0.606 -8.282 -7.249 1.00 0.00 C flip ATOM 44 NE2 HIS A 3 0.992 -9.210 -6.412 1.00 0.00 N flip ATOM 0 H HIS A 3 -3.253 -8.519 -4.459 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.862 -9.128 -3.018 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.904 -6.677 -4.499 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.403 -6.607 -3.597 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.592 -9.564 -4.354 1.00 0.00 H new ATOM 0 HE1 HIS A 3 0.897 -8.212 -8.287 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.611 -9.990 -6.631 1.00 0.00 H new ATOM 53 N LEU A 4 -3.124 -7.477 -1.400 1.00 0.00 N ATOM 54 CA LEU A 4 -3.478 -6.875 -0.082 1.00 0.00 C ATOM 55 C LEU A 4 -2.852 -7.656 1.095 1.00 0.00 C ATOM 56 O LEU A 4 -2.555 -7.072 2.133 1.00 0.00 O ATOM 57 CB LEU A 4 -5.022 -6.783 0.125 1.00 0.00 C ATOM 58 CG LEU A 4 -5.779 -8.104 0.504 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.242 -7.826 0.882 1.00 0.00 C ATOM 60 CD2 LEU A 4 -5.689 -9.158 -0.621 1.00 0.00 C ATOM 0 H LEU A 4 -3.932 -7.689 -1.985 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.066 -5.866 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.214 -6.048 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.462 -6.394 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.280 -8.516 1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.736 -8.763 1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.275 -7.152 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.755 -7.365 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.225 -10.058 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.135 -8.757 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.643 -9.404 -0.806 1.00 0.00 H new ATOM 72 N GLU A 5 -2.644 -8.979 0.887 1.00 0.00 N ATOM 73 CA GLU A 5 -2.068 -9.878 1.896 1.00 0.00 C ATOM 74 C GLU A 5 -0.607 -9.497 2.209 1.00 0.00 C ATOM 75 O GLU A 5 -0.226 -9.363 3.376 1.00 0.00 O ATOM 76 CB GLU A 5 -2.163 -11.361 1.433 1.00 0.00 C ATOM 77 CG GLU A 5 -1.497 -12.372 2.394 1.00 0.00 C ATOM 78 CD GLU A 5 -1.691 -13.839 1.982 1.00 0.00 C ATOM 79 OE1 GLU A 5 -1.022 -14.296 1.041 1.00 0.00 O ATOM 80 OE2 GLU A 5 -2.508 -14.546 2.601 1.00 0.00 O ATOM 0 H GLU A 5 -2.874 -9.446 0.010 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.648 -9.768 2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.214 -11.626 1.317 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.700 -11.453 0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.430 -12.158 2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.903 -12.229 3.395 1.00 0.00 H new ATOM 87 N ALA A 6 0.198 -9.300 1.150 1.00 0.00 N ATOM 88 CA ALA A 6 1.617 -8.937 1.288 1.00 0.00 C ATOM 89 C ALA A 6 1.775 -7.473 1.719 1.00 0.00 C ATOM 90 O ALA A 6 2.717 -7.147 2.435 1.00 0.00 O ATOM 91 CB ALA A 6 2.384 -9.222 -0.007 1.00 0.00 C ATOM 0 H ALA A 6 -0.114 -9.387 0.183 1.00 0.00 H new ATOM 0 HA ALA A 6 2.047 -9.559 2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.430 -8.945 0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.316 -10.284 -0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.952 -8.640 -0.821 1.00 0.00 H new ATOM 97 N VAL A 7 0.826 -6.601 1.311 1.00 0.00 N ATOM 98 CA VAL A 7 0.829 -5.183 1.712 1.00 0.00 C ATOM 99 C VAL A 7 0.612 -5.071 3.240 1.00 0.00 C ATOM 100 O VAL A 7 1.349 -4.365 3.923 1.00 0.00 O ATOM 101 CB VAL A 7 -0.267 -4.331 0.960 1.00 0.00 C ATOM 102 CG1 VAL A 7 -0.238 -2.859 1.443 1.00 0.00 C ATOM 103 CG2 VAL A 7 -0.113 -4.390 -0.579 1.00 0.00 C ATOM 0 H VAL A 7 0.048 -6.859 0.703 1.00 0.00 H new ATOM 0 HA VAL A 7 1.801 -4.776 1.434 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.233 -4.773 1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.000 -2.287 0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.437 -2.824 2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.743 -2.429 1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.892 -3.787 -1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.865 -4.001 -0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.204 -5.423 -0.914 1.00 0.00 H new ATOM 113 N ARG A 8 -0.387 -5.820 3.762 1.00 0.00 N ATOM 114 CA ARG A 8 -0.746 -5.798 5.203 1.00 0.00 C ATOM 115 C ARG A 8 0.287 -6.556 6.025 1.00 0.00 C ATOM 116 O ARG A 8 0.436 -6.296 7.212 1.00 0.00 O ATOM 117 CB ARG A 8 -2.165 -6.357 5.461 1.00 0.00 C ATOM 118 CG ARG A 8 -2.339 -7.864 5.208 1.00 0.00 C ATOM 119 CD ARG A 8 -3.803 -8.303 5.290 1.00 0.00 C ATOM 120 NE ARG A 8 -3.974 -9.730 4.976 1.00 0.00 N ATOM 121 CZ ARG A 8 -5.159 -10.349 4.881 1.00 0.00 C ATOM 122 NH1 ARG A 8 -6.286 -9.715 5.161 1.00 0.00 N ATOM 123 NH2 ARG A 8 -5.212 -11.616 4.529 1.00 0.00 N ATOM 0 H ARG A 8 -0.963 -6.451 3.205 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.749 -4.754 5.518 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.437 -6.146 6.495 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.870 -5.816 4.829 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.942 -8.113 4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.753 -8.422 5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.184 -8.105 6.292 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.399 -7.707 4.599 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.133 -10.286 4.820 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.262 -8.739 5.455 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.178 -10.203 5.083 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.352 -12.126 4.329 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.113 -12.088 4.456 1.00 0.00 H new ATOM 137 N ASN A 9 0.992 -7.507 5.378 1.00 0.00 N ATOM 138 CA ASN A 9 2.138 -8.205 5.989 1.00 0.00 C ATOM 139 C ASN A 9 3.235 -7.174 6.323 1.00 0.00 C ATOM 140 O ASN A 9 3.756 -7.130 7.448 1.00 0.00 O ATOM 141 CB ASN A 9 2.676 -9.291 5.015 1.00 0.00 C ATOM 142 CG ASN A 9 3.848 -10.127 5.546 1.00 0.00 C ATOM 143 OD1 ASN A 9 3.953 -10.409 6.736 1.00 0.00 O ATOM 144 ND2 ASN A 9 4.743 -10.513 4.655 1.00 0.00 N ATOM 0 H ASN A 9 0.784 -7.809 4.426 1.00 0.00 H new ATOM 0 HA ASN A 9 1.825 -8.700 6.909 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.857 -9.964 4.760 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.988 -8.804 4.091 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.551 -11.062 4.949 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.626 -10.262 3.673 1.00 0.00 H new ATOM 151 N ILE A 10 3.506 -6.311 5.321 1.00 0.00 N ATOM 152 CA ILE A 10 4.458 -5.196 5.425 1.00 0.00 C ATOM 153 C ILE A 10 4.009 -4.186 6.500 1.00 0.00 C ATOM 154 O ILE A 10 4.817 -3.752 7.306 1.00 0.00 O ATOM 155 CB ILE A 10 4.619 -4.463 4.037 1.00 0.00 C ATOM 156 CG1 ILE A 10 5.245 -5.421 2.976 1.00 0.00 C ATOM 157 CG2 ILE A 10 5.447 -3.162 4.161 1.00 0.00 C ATOM 158 CD1 ILE A 10 5.301 -4.864 1.566 1.00 0.00 C ATOM 0 H ILE A 10 3.061 -6.374 4.406 1.00 0.00 H new ATOM 0 HA ILE A 10 5.422 -5.612 5.717 1.00 0.00 H new ATOM 0 HB ILE A 10 3.621 -4.179 3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.257 -5.676 3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.672 -6.348 2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.533 -2.690 3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.951 -2.479 4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.442 -3.399 4.538 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.751 -5.601 0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.291 -4.636 1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.901 -3.954 1.558 1.00 0.00 H new ATOM 170 N LEU A 11 2.717 -3.822 6.496 1.00 0.00 N ATOM 171 CA LEU A 11 2.153 -2.861 7.467 1.00 0.00 C ATOM 172 C LEU A 11 2.246 -3.410 8.903 1.00 0.00 C ATOM 173 O LEU A 11 2.620 -2.693 9.832 1.00 0.00 O ATOM 174 CB LEU A 11 0.681 -2.540 7.099 1.00 0.00 C ATOM 175 CG LEU A 11 0.464 -1.857 5.707 1.00 0.00 C ATOM 176 CD1 LEU A 11 -1.026 -1.841 5.321 1.00 0.00 C ATOM 177 CD2 LEU A 11 1.059 -0.427 5.668 1.00 0.00 C ATOM 0 H LEU A 11 2.036 -4.180 5.827 1.00 0.00 H new ATOM 0 HA LEU A 11 2.736 -1.941 7.423 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.109 -3.468 7.121 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.266 -1.891 7.870 1.00 0.00 H new ATOM 0 HG LEU A 11 1.000 -2.455 4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.145 -1.361 4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.399 -2.864 5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.590 -1.287 6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.887 0.012 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.578 0.188 6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.131 -0.473 5.862 1.00 0.00 H new ATOM 189 N GLY A 12 1.926 -4.698 9.063 1.00 0.00 N ATOM 190 CA GLY A 12 2.020 -5.372 10.347 1.00 0.00 C ATOM 191 C GLY A 12 3.447 -5.598 10.799 1.00 0.00 C ATOM 192 O GLY A 12 3.679 -5.870 11.976 1.00 0.00 O ATOM 0 H GLY A 12 1.596 -5.295 8.304 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.497 -4.782 11.099 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.509 -6.333 10.284 1.00 0.00 H new ATOM 196 N ASP A 13 4.400 -5.532 9.848 1.00 0.00 N ATOM 197 CA ASP A 13 5.838 -5.606 10.147 1.00 0.00 C ATOM 198 C ASP A 13 6.383 -4.238 10.600 1.00 0.00 C ATOM 199 O ASP A 13 7.002 -4.133 11.660 1.00 0.00 O ATOM 200 CB ASP A 13 6.613 -6.124 8.905 1.00 0.00 C ATOM 201 CG ASP A 13 8.134 -6.208 9.129 1.00 0.00 C ATOM 202 OD1 ASP A 13 8.564 -6.915 10.070 1.00 0.00 O ATOM 203 OD2 ASP A 13 8.910 -5.568 8.384 1.00 0.00 O ATOM 0 H ASP A 13 4.192 -5.426 8.855 1.00 0.00 H new ATOM 0 HA ASP A 13 5.983 -6.307 10.969 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.237 -7.111 8.636 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.413 -5.466 8.060 1.00 0.00 H new ATOM 208 N VAL A 14 6.127 -3.194 9.793 1.00 0.00 N ATOM 209 CA VAL A 14 6.664 -1.842 10.024 1.00 0.00 C ATOM 210 C VAL A 14 6.028 -1.237 11.283 1.00 0.00 C ATOM 211 O VAL A 14 6.731 -0.940 12.253 1.00 0.00 O ATOM 212 CB VAL A 14 6.423 -0.900 8.779 1.00 0.00 C ATOM 213 CG1 VAL A 14 6.938 0.542 9.032 1.00 0.00 C ATOM 214 CG2 VAL A 14 7.067 -1.494 7.504 1.00 0.00 C ATOM 0 H VAL A 14 5.541 -3.264 8.961 1.00 0.00 H new ATOM 0 HA VAL A 14 7.741 -1.926 10.168 1.00 0.00 H new ATOM 0 HB VAL A 14 5.345 -0.839 8.627 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.752 1.155 8.150 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.416 0.970 9.888 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.008 0.516 9.236 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.887 -0.827 6.661 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.141 -1.605 7.656 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.628 -2.469 7.295 1.00 0.00 H new ATOM 224 N LEU A 15 4.685 -1.142 11.278 1.00 0.00 N ATOM 225 CA LEU A 15 3.913 -0.506 12.372 1.00 0.00 C ATOM 226 C LEU A 15 3.718 -1.473 13.553 1.00 0.00 C ATOM 227 O LEU A 15 3.243 -1.062 14.616 1.00 0.00 O ATOM 228 CB LEU A 15 2.524 -0.008 11.881 1.00 0.00 C ATOM 229 CG LEU A 15 2.487 1.058 10.736 1.00 0.00 C ATOM 230 CD1 LEU A 15 3.561 2.148 10.919 1.00 0.00 C ATOM 231 CD2 LEU A 15 2.572 0.404 9.343 1.00 0.00 C ATOM 0 H LEU A 15 4.103 -1.501 10.521 1.00 0.00 H new ATOM 0 HA LEU A 15 4.495 0.353 12.706 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.957 -0.877 11.546 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.995 0.406 12.740 1.00 0.00 H new ATOM 0 HG LEU A 15 1.519 1.555 10.803 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.496 2.864 10.100 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.399 2.663 11.866 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.549 1.688 10.921 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.543 1.177 8.576 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.504 -0.155 9.260 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.729 -0.273 9.207 1.00 0.00 H new ATOM 243 N ASN A 16 4.055 -2.760 13.323 1.00 0.00 N ATOM 244 CA ASN A 16 4.044 -3.819 14.345 1.00 0.00 C ATOM 245 C ASN A 16 2.596 -4.114 14.820 1.00 0.00 C ATOM 246 O ASN A 16 2.316 -4.164 16.023 1.00 0.00 O ATOM 247 CB ASN A 16 5.016 -3.465 15.526 1.00 0.00 C ATOM 248 CG ASN A 16 5.380 -4.661 16.429 1.00 0.00 C ATOM 249 OD1 ASN A 16 4.696 -4.957 17.410 1.00 0.00 O ATOM 250 ND2 ASN A 16 6.478 -5.344 16.115 1.00 0.00 N ATOM 0 H ASN A 16 4.347 -3.094 12.405 1.00 0.00 H new ATOM 0 HA ASN A 16 4.418 -4.741 13.901 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.933 -3.045 15.113 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.557 -2.689 16.138 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.770 -6.133 16.692 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.027 -5.079 15.297 1.00 0.00 H new ATOM 257 N LEU A 17 1.660 -4.285 13.850 1.00 0.00 N ATOM 258 CA LEU A 17 0.279 -4.745 14.150 1.00 0.00 C ATOM 259 C LEU A 17 0.307 -6.199 14.667 1.00 0.00 C ATOM 260 O LEU A 17 -0.505 -6.571 15.516 1.00 0.00 O ATOM 261 CB LEU A 17 -0.681 -4.648 12.911 1.00 0.00 C ATOM 262 CG LEU A 17 -1.192 -3.224 12.492 1.00 0.00 C ATOM 263 CD1 LEU A 17 -1.792 -2.450 13.689 1.00 0.00 C ATOM 264 CD2 LEU A 17 -0.100 -2.409 11.782 1.00 0.00 C ATOM 0 H LEU A 17 1.835 -4.112 12.860 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.114 -4.078 14.917 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.168 -5.085 12.054 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.552 -5.271 13.113 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.997 -3.378 11.773 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.133 -1.470 13.355 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.635 -3.008 14.097 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.032 -2.326 14.460 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.496 -1.431 11.509 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.752 -2.283 12.450 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.219 -2.935 10.882 1.00 0.00 H new ATOM 276 N GLY A 18 1.256 -7.000 14.126 1.00 0.00 N ATOM 277 CA GLY A 18 1.424 -8.402 14.510 1.00 0.00 C ATOM 278 C GLY A 18 0.226 -9.270 14.136 1.00 0.00 C ATOM 279 O GLY A 18 0.140 -9.767 13.012 1.00 0.00 O ATOM 0 H GLY A 18 1.917 -6.685 13.416 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.318 -8.800 14.030 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.587 -8.461 15.586 1.00 0.00 H new ATOM 283 N GLU A 19 -0.701 -9.423 15.089 1.00 0.00 N ATOM 284 CA GLU A 19 -1.937 -10.204 14.927 1.00 0.00 C ATOM 285 C GLU A 19 -2.992 -9.388 14.144 1.00 0.00 C ATOM 286 O GLU A 19 -3.750 -9.940 13.326 1.00 0.00 O ATOM 287 CB GLU A 19 -2.472 -10.587 16.340 1.00 0.00 C ATOM 288 CG GLU A 19 -3.775 -11.414 16.349 1.00 0.00 C ATOM 289 CD GLU A 19 -4.298 -11.725 17.764 1.00 0.00 C ATOM 290 OE1 GLU A 19 -3.862 -12.733 18.365 1.00 0.00 O ATOM 291 OE2 GLU A 19 -5.153 -10.971 18.285 1.00 0.00 O ATOM 0 H GLU A 19 -0.613 -9.000 16.013 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.731 -11.110 14.358 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.699 -11.151 16.863 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.638 -9.672 16.908 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.543 -10.872 15.798 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.604 -12.351 15.820 1.00 0.00 H new ATOM 298 N ARG A 20 -2.990 -8.057 14.367 1.00 0.00 N ATOM 299 CA ARG A 20 -4.039 -7.147 13.852 1.00 0.00 C ATOM 300 C ARG A 20 -3.975 -7.019 12.311 1.00 0.00 C ATOM 301 O ARG A 20 -4.997 -6.764 11.670 1.00 0.00 O ATOM 302 CB ARG A 20 -3.962 -5.750 14.562 1.00 0.00 C ATOM 303 CG ARG A 20 -5.296 -4.941 14.599 1.00 0.00 C ATOM 304 CD ARG A 20 -5.594 -4.113 13.329 1.00 0.00 C ATOM 305 NE ARG A 20 -6.995 -3.641 13.308 1.00 0.00 N ATOM 306 CZ ARG A 20 -7.609 -3.030 12.283 1.00 0.00 C ATOM 307 NH1 ARG A 20 -6.933 -2.593 11.231 1.00 0.00 N ATOM 308 NH2 ARG A 20 -8.911 -2.810 12.345 1.00 0.00 N ATOM 0 H ARG A 20 -2.266 -7.583 14.906 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.009 -7.583 14.090 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.620 -5.901 15.586 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.206 -5.147 14.059 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.120 -5.635 14.763 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.271 -4.268 15.456 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.920 -3.258 13.284 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.399 -4.719 12.444 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.547 -3.794 14.152 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.922 -2.718 11.187 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.424 -2.132 10.465 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.439 -3.104 13.167 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.387 -2.346 11.571 1.00 0.00 H new ATOM 322 N LYS A 21 -2.787 -7.251 11.724 1.00 0.00 N ATOM 323 CA LYS A 21 -2.604 -7.168 10.262 1.00 0.00 C ATOM 324 C LYS A 21 -3.421 -8.253 9.532 1.00 0.00 C ATOM 325 O LYS A 21 -3.854 -8.051 8.404 1.00 0.00 O ATOM 326 CB LYS A 21 -1.115 -7.261 9.868 1.00 0.00 C ATOM 327 CG LYS A 21 -0.502 -8.655 10.029 1.00 0.00 C ATOM 328 CD LYS A 21 0.957 -8.721 9.563 1.00 0.00 C ATOM 329 CE LYS A 21 1.458 -10.154 9.487 1.00 0.00 C ATOM 330 NZ LYS A 21 2.913 -10.229 9.211 1.00 0.00 N ATOM 0 H LYS A 21 -1.941 -7.497 12.237 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.974 -6.191 9.950 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.007 -6.948 8.830 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.547 -6.556 10.475 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.558 -8.952 11.076 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.093 -9.374 9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.048 -8.251 8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.584 -8.152 10.249 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.242 -10.662 10.427 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.915 -10.685 8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.351 -10.930 9.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.065 -10.512 8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.346 -9.298 9.374 1.00 0.00 H new ATOM 344 N HIS A 22 -3.643 -9.393 10.206 1.00 0.00 N ATOM 345 CA HIS A 22 -4.328 -10.549 9.613 1.00 0.00 C ATOM 346 C HIS A 22 -5.859 -10.413 9.748 1.00 0.00 C ATOM 347 O HIS A 22 -6.608 -10.913 8.899 1.00 0.00 O ATOM 348 CB HIS A 22 -3.832 -11.859 10.277 1.00 0.00 C ATOM 349 CG HIS A 22 -4.211 -13.109 9.529 1.00 0.00 C ATOM 350 ND1 HIS A 22 -5.304 -13.885 9.837 1.00 0.00 N ATOM 351 CD2 HIS A 22 -3.627 -13.708 8.463 1.00 0.00 C ATOM 352 CE1 HIS A 22 -5.367 -14.903 9.003 1.00 0.00 C ATOM 353 NE2 HIS A 22 -4.362 -14.818 8.158 1.00 0.00 N ATOM 0 H HIS A 22 -3.353 -9.537 11.173 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.090 -10.584 8.550 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.747 -11.819 10.369 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.236 -11.917 11.288 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.741 -13.369 7.948 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.119 -15.678 9.012 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.165 -15.472 7.401 1.00 0.00 H new ATOM 362 N THR A 23 -6.312 -9.725 10.821 1.00 0.00 N ATOM 363 CA THR A 23 -7.753 -9.574 11.135 1.00 0.00 C ATOM 364 C THR A 23 -8.389 -8.401 10.360 1.00 0.00 C ATOM 365 O THR A 23 -9.613 -8.239 10.362 1.00 0.00 O ATOM 366 CB THR A 23 -8.007 -9.412 12.681 1.00 0.00 C ATOM 367 OG1 THR A 23 -9.409 -9.535 12.982 1.00 0.00 O ATOM 368 CG2 THR A 23 -7.522 -8.063 13.223 1.00 0.00 C ATOM 0 H THR A 23 -5.696 -9.262 11.489 1.00 0.00 H new ATOM 0 HA THR A 23 -8.236 -10.496 10.811 1.00 0.00 H new ATOM 0 HB THR A 23 -7.437 -10.207 13.162 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.936 -9.219 12.219 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.723 -8.007 14.293 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.450 -7.965 13.049 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.047 -7.256 12.713 1.00 0.00 H new ATOM 376 N LEU A 24 -7.553 -7.579 9.700 1.00 0.00 N ATOM 377 CA LEU A 24 -8.033 -6.453 8.875 1.00 0.00 C ATOM 378 C LEU A 24 -8.158 -6.899 7.405 1.00 0.00 C ATOM 379 O LEU A 24 -7.438 -7.806 6.954 1.00 0.00 O ATOM 380 CB LEU A 24 -7.121 -5.189 9.065 1.00 0.00 C ATOM 381 CG LEU A 24 -5.584 -5.279 8.719 1.00 0.00 C ATOM 382 CD1 LEU A 24 -5.311 -5.251 7.207 1.00 0.00 C ATOM 383 CD2 LEU A 24 -4.779 -4.155 9.418 1.00 0.00 C ATOM 0 H LEU A 24 -6.538 -7.673 9.722 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.028 -6.155 9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.545 -4.387 8.461 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.203 -4.881 10.107 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.250 -6.245 9.097 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.237 -5.316 7.030 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.809 -6.096 6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.693 -4.321 6.785 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.724 -4.247 9.158 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.150 -3.184 9.090 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.895 -4.242 10.498 1.00 0.00 H new ATOM 395 N THR A 25 -9.079 -6.263 6.662 1.00 0.00 N ATOM 396 CA THR A 25 -9.337 -6.563 5.240 1.00 0.00 C ATOM 397 C THR A 25 -8.910 -5.370 4.366 1.00 0.00 C ATOM 398 O THR A 25 -8.321 -4.404 4.868 1.00 0.00 O ATOM 399 CB THR A 25 -10.858 -6.872 5.003 1.00 0.00 C ATOM 400 OG1 THR A 25 -11.651 -5.723 5.347 1.00 0.00 O ATOM 401 CG2 THR A 25 -11.348 -8.090 5.811 1.00 0.00 C ATOM 0 H THR A 25 -9.671 -5.520 7.033 1.00 0.00 H new ATOM 0 HA THR A 25 -8.755 -7.443 4.965 1.00 0.00 H new ATOM 0 HB THR A 25 -10.973 -7.110 3.946 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.598 -5.922 5.195 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.406 -8.259 5.610 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.778 -8.973 5.520 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.207 -7.901 6.875 1.00 0.00 H new ATOM 409 N ALA A 26 -9.211 -5.446 3.052 1.00 0.00 N ATOM 410 CA ALA A 26 -9.010 -4.324 2.114 1.00 0.00 C ATOM 411 C ALA A 26 -9.863 -3.096 2.514 1.00 0.00 C ATOM 412 O ALA A 26 -9.524 -1.954 2.179 1.00 0.00 O ATOM 413 CB ALA A 26 -9.339 -4.774 0.685 1.00 0.00 C ATOM 0 H ALA A 26 -9.598 -6.282 2.615 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.964 -4.022 2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.189 -3.941 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.685 -5.599 0.404 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.378 -5.101 0.637 1.00 0.00 H new ATOM 419 N SER A 27 -10.953 -3.352 3.260 1.00 0.00 N ATOM 420 CA SER A 27 -11.882 -2.321 3.751 1.00 0.00 C ATOM 421 C SER A 27 -11.367 -1.610 5.028 1.00 0.00 C ATOM 422 O SER A 27 -12.058 -0.738 5.563 1.00 0.00 O ATOM 423 CB SER A 27 -13.260 -2.964 4.016 1.00 0.00 C ATOM 424 OG SER A 27 -13.794 -3.526 2.829 1.00 0.00 O ATOM 0 H SER A 27 -11.216 -4.296 3.542 1.00 0.00 H new ATOM 0 HA SER A 27 -11.964 -1.555 2.980 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.164 -3.738 4.778 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.946 -2.214 4.408 1.00 0.00 H new ATOM 0 HG SER A 27 -14.666 -3.929 3.022 1.00 0.00 H new ATOM 430 N SER A 28 -10.166 -1.981 5.519 1.00 0.00 N ATOM 431 CA SER A 28 -9.557 -1.342 6.707 1.00 0.00 C ATOM 432 C SER A 28 -8.856 -0.033 6.318 1.00 0.00 C ATOM 433 O SER A 28 -8.156 0.019 5.306 1.00 0.00 O ATOM 434 CB SER A 28 -8.539 -2.291 7.377 1.00 0.00 C ATOM 435 OG SER A 28 -8.012 -1.754 8.594 1.00 0.00 O ATOM 0 H SER A 28 -9.597 -2.722 5.110 1.00 0.00 H new ATOM 0 HA SER A 28 -10.357 -1.122 7.414 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.019 -3.248 7.583 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.720 -2.488 6.685 1.00 0.00 H new ATOM 0 HG SER A 28 -7.035 -1.827 8.588 1.00 0.00 H new ATOM 441 N VAL A 29 -9.036 1.006 7.153 1.00 0.00 N ATOM 442 CA VAL A 29 -8.382 2.314 7.002 1.00 0.00 C ATOM 443 C VAL A 29 -7.006 2.277 7.701 1.00 0.00 C ATOM 444 O VAL A 29 -6.837 1.584 8.712 1.00 0.00 O ATOM 445 CB VAL A 29 -9.283 3.463 7.611 1.00 0.00 C ATOM 446 CG1 VAL A 29 -8.663 4.872 7.418 1.00 0.00 C ATOM 447 CG2 VAL A 29 -10.712 3.404 7.031 1.00 0.00 C ATOM 0 H VAL A 29 -9.651 0.957 7.965 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.243 2.525 5.942 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.335 3.289 8.686 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.322 5.622 7.854 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.691 4.912 7.910 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.539 5.072 6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.314 4.203 7.464 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.671 3.526 5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.162 2.441 7.270 1.00 0.00 H new ATOM 457 N LEU A 30 -6.021 2.994 7.139 1.00 0.00 N ATOM 458 CA LEU A 30 -4.651 3.056 7.687 1.00 0.00 C ATOM 459 C LEU A 30 -4.379 4.433 8.314 1.00 0.00 C ATOM 460 O LEU A 30 -4.271 4.545 9.543 1.00 0.00 O ATOM 461 CB LEU A 30 -3.624 2.732 6.574 1.00 0.00 C ATOM 462 CG LEU A 30 -3.866 1.399 5.798 1.00 0.00 C ATOM 463 CD1 LEU A 30 -2.806 1.203 4.706 1.00 0.00 C ATOM 464 CD2 LEU A 30 -3.928 0.176 6.752 1.00 0.00 C ATOM 0 H LEU A 30 -6.148 3.548 6.292 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.550 2.310 8.476 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.621 3.553 5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.631 2.696 7.021 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.840 1.474 5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.995 0.268 4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.852 2.033 4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.816 1.169 5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.098 -0.730 6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.986 0.089 7.294 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.744 0.310 7.462 1.00 0.00 H new ATOM 476 N LEU A 31 -4.259 5.467 7.451 1.00 0.00 N ATOM 477 CA LEU A 31 -4.038 6.871 7.860 1.00 0.00 C ATOM 478 C LEU A 31 -5.058 7.339 8.920 1.00 0.00 C ATOM 479 O LEU A 31 -6.263 7.405 8.643 1.00 0.00 O ATOM 480 CB LEU A 31 -4.088 7.795 6.606 1.00 0.00 C ATOM 481 CG LEU A 31 -2.776 7.891 5.771 1.00 0.00 C ATOM 482 CD1 LEU A 31 -3.022 8.573 4.419 1.00 0.00 C ATOM 483 CD2 LEU A 31 -1.671 8.628 6.559 1.00 0.00 C ATOM 0 H LEU A 31 -4.314 5.348 6.439 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.053 6.933 8.322 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.886 7.443 5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.362 8.799 6.930 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.437 6.874 5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.087 8.624 3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.753 7.999 3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.401 9.581 4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.766 8.681 5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.007 9.637 6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.459 8.087 7.481 1.00 0.00 H new ATOM 495 N GLY A 32 -4.549 7.619 10.136 1.00 0.00 N ATOM 496 CA GLY A 32 -5.360 8.149 11.240 1.00 0.00 C ATOM 497 C GLY A 32 -6.112 7.079 12.030 1.00 0.00 C ATOM 498 O GLY A 32 -6.419 7.279 13.210 1.00 0.00 O ATOM 0 H GLY A 32 -3.567 7.483 10.376 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.712 8.700 11.921 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.080 8.862 10.838 1.00 0.00 H new ATOM 502 N ASN A 33 -6.440 5.958 11.368 1.00 0.00 N ATOM 503 CA ASN A 33 -7.141 4.825 11.994 1.00 0.00 C ATOM 504 C ASN A 33 -6.167 4.021 12.853 1.00 0.00 C ATOM 505 O ASN A 33 -6.356 3.898 14.069 1.00 0.00 O ATOM 506 CB ASN A 33 -7.791 3.948 10.907 1.00 0.00 C ATOM 507 CG ASN A 33 -8.494 2.694 11.449 1.00 0.00 C ATOM 508 OD1 ASN A 33 -9.641 2.757 11.885 1.00 0.00 O ATOM 509 ND2 ASN A 33 -7.833 1.542 11.379 1.00 0.00 N ATOM 0 H ASN A 33 -6.226 5.811 10.382 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.932 5.198 12.644 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.516 4.548 10.357 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.024 3.642 10.195 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.278 0.679 11.692 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.881 1.521 11.012 1.00 0.00 H new ATOM 516 N ILE A 34 -5.112 3.497 12.206 1.00 0.00 N ATOM 517 CA ILE A 34 -4.018 2.816 12.902 1.00 0.00 C ATOM 518 C ILE A 34 -3.211 3.887 13.670 1.00 0.00 C ATOM 519 O ILE A 34 -2.709 4.830 13.042 1.00 0.00 O ATOM 520 CB ILE A 34 -3.076 2.031 11.906 1.00 0.00 C ATOM 521 CG1 ILE A 34 -3.901 1.051 10.993 1.00 0.00 C ATOM 522 CG2 ILE A 34 -1.952 1.274 12.663 1.00 0.00 C ATOM 523 CD1 ILE A 34 -4.711 -0.005 11.740 1.00 0.00 C ATOM 0 H ILE A 34 -4.998 3.535 11.193 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.434 2.075 13.584 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.599 2.768 11.260 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.581 1.639 10.377 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.213 0.546 10.315 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.323 0.745 11.947 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.345 1.987 13.221 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.397 0.557 13.353 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.243 -0.630 11.023 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.040 -0.625 12.334 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.429 0.485 12.397 1.00 0.00 H new ATOM 535 N PRO A 35 -3.070 3.765 15.033 1.00 0.00 N ATOM 536 CA PRO A 35 -2.401 4.796 15.864 1.00 0.00 C ATOM 537 C PRO A 35 -0.882 4.865 15.607 1.00 0.00 C ATOM 538 O PRO A 35 -0.202 5.780 16.084 1.00 0.00 O ATOM 539 CB PRO A 35 -2.730 4.353 17.315 1.00 0.00 C ATOM 540 CG PRO A 35 -2.912 2.871 17.220 1.00 0.00 C ATOM 541 CD PRO A 35 -3.524 2.614 15.859 1.00 0.00 C ATOM 0 HA PRO A 35 -2.748 5.805 15.640 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.924 4.611 18.002 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.632 4.841 17.685 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.959 2.353 17.324 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.561 2.505 18.016 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.185 1.666 15.442 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.612 2.567 15.914 1.00 0.00 H new ATOM 549 N GLU A 36 -0.363 3.884 14.841 1.00 0.00 N ATOM 550 CA GLU A 36 1.057 3.783 14.497 1.00 0.00 C ATOM 551 C GLU A 36 1.332 4.450 13.134 1.00 0.00 C ATOM 552 O GLU A 36 2.467 4.846 12.853 1.00 0.00 O ATOM 553 CB GLU A 36 1.469 2.285 14.456 1.00 0.00 C ATOM 554 CG GLU A 36 0.940 1.410 15.619 1.00 0.00 C ATOM 555 CD GLU A 36 1.353 1.901 17.020 1.00 0.00 C ATOM 556 OE1 GLU A 36 2.556 1.861 17.337 1.00 0.00 O ATOM 557 OE2 GLU A 36 0.478 2.327 17.809 1.00 0.00 O ATOM 0 H GLU A 36 -0.930 3.135 14.443 1.00 0.00 H new ATOM 0 HA GLU A 36 1.646 4.301 15.254 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.120 1.857 13.516 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.557 2.227 14.448 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.148 1.374 15.565 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.300 0.390 15.484 1.00 0.00 H new ATOM 564 N LEU A 37 0.276 4.586 12.298 1.00 0.00 N ATOM 565 CA LEU A 37 0.396 5.090 10.909 1.00 0.00 C ATOM 566 C LEU A 37 0.425 6.643 10.941 1.00 0.00 C ATOM 567 O LEU A 37 -0.600 7.305 10.724 1.00 0.00 O ATOM 568 CB LEU A 37 -0.779 4.530 10.021 1.00 0.00 C ATOM 569 CG LEU A 37 -0.524 4.342 8.471 1.00 0.00 C ATOM 570 CD1 LEU A 37 -0.087 5.642 7.769 1.00 0.00 C ATOM 571 CD2 LEU A 37 0.479 3.203 8.198 1.00 0.00 C ATOM 0 H LEU A 37 -0.680 4.351 12.566 1.00 0.00 H new ATOM 0 HA LEU A 37 1.324 4.741 10.456 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.072 3.563 10.429 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.632 5.198 10.139 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.485 4.063 8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.072 5.447 6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.864 6.398 7.887 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.840 6.002 8.215 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.631 3.102 7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.430 3.433 8.679 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.086 2.269 8.599 1.00 0.00 H new ATOM 583 N ASP A 38 1.613 7.192 11.241 1.00 0.00 N ATOM 584 CA ASP A 38 1.873 8.645 11.377 1.00 0.00 C ATOM 585 C ASP A 38 2.811 9.120 10.215 1.00 0.00 C ATOM 586 O ASP A 38 3.028 8.368 9.271 1.00 0.00 O ATOM 587 CB ASP A 38 2.497 8.866 12.798 1.00 0.00 C ATOM 588 CG ASP A 38 2.466 10.326 13.284 1.00 0.00 C ATOM 589 OD1 ASP A 38 1.399 10.804 13.695 1.00 0.00 O ATOM 590 OD2 ASP A 38 3.508 11.014 13.225 1.00 0.00 O ATOM 0 H ASP A 38 2.446 6.626 11.401 1.00 0.00 H new ATOM 0 HA ASP A 38 0.963 9.239 11.296 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.963 8.245 13.517 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.531 8.522 12.785 1.00 0.00 H new ATOM 595 N SER A 39 3.350 10.360 10.307 1.00 0.00 N ATOM 596 CA SER A 39 4.157 11.039 9.254 1.00 0.00 C ATOM 597 C SER A 39 5.342 10.186 8.695 1.00 0.00 C ATOM 598 O SER A 39 5.298 9.684 7.553 1.00 0.00 O ATOM 599 CB SER A 39 4.685 12.373 9.856 1.00 0.00 C ATOM 600 OG SER A 39 5.440 13.131 8.914 1.00 0.00 O ATOM 0 H SER A 39 3.234 10.936 11.140 1.00 0.00 H new ATOM 0 HA SER A 39 3.508 11.207 8.395 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.843 12.969 10.207 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.306 12.156 10.725 1.00 0.00 H new ATOM 605 N MET A 40 6.381 9.977 9.515 1.00 0.00 N ATOM 606 CA MET A 40 7.568 9.188 9.118 1.00 0.00 C ATOM 607 C MET A 40 7.200 7.713 8.868 1.00 0.00 C ATOM 608 O MET A 40 7.907 7.009 8.148 1.00 0.00 O ATOM 609 CB MET A 40 8.681 9.297 10.186 1.00 0.00 C ATOM 610 CG MET A 40 9.164 10.734 10.442 1.00 0.00 C ATOM 611 SD MET A 40 9.772 11.562 8.947 1.00 0.00 S ATOM 612 CE MET A 40 11.196 10.562 8.505 1.00 0.00 C ATOM 0 H MET A 40 6.428 10.344 10.465 1.00 0.00 H new ATOM 0 HA MET A 40 7.945 9.603 8.183 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.314 8.876 11.122 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.530 8.689 9.874 1.00 0.00 H new ATOM 0 HG2 MET A 40 8.344 11.316 10.864 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.959 10.716 11.188 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.740 11.043 7.692 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.851 10.460 9.370 1.00 0.00 H new ATOM 0 HE3 MET A 40 10.862 9.575 8.184 1.00 0.00 H new ATOM 622 N ALA A 41 6.073 7.278 9.461 1.00 0.00 N ATOM 623 CA ALA A 41 5.509 5.944 9.244 1.00 0.00 C ATOM 624 C ALA A 41 4.996 5.764 7.804 1.00 0.00 C ATOM 625 O ALA A 41 5.136 4.673 7.255 1.00 0.00 O ATOM 626 CB ALA A 41 4.405 5.655 10.258 1.00 0.00 C ATOM 0 H ALA A 41 5.529 7.850 10.107 1.00 0.00 H new ATOM 0 HA ALA A 41 6.312 5.221 9.391 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.999 4.659 10.080 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.815 5.704 11.267 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.611 6.395 10.153 1.00 0.00 H new ATOM 632 N VAL A 42 4.417 6.844 7.188 1.00 0.00 N ATOM 633 CA VAL A 42 3.981 6.790 5.768 1.00 0.00 C ATOM 634 C VAL A 42 5.212 6.599 4.872 1.00 0.00 C ATOM 635 O VAL A 42 5.174 5.848 3.902 1.00 0.00 O ATOM 636 CB VAL A 42 3.139 8.046 5.255 1.00 0.00 C ATOM 637 CG1 VAL A 42 2.061 8.468 6.271 1.00 0.00 C ATOM 638 CG2 VAL A 42 4.015 9.268 4.825 1.00 0.00 C ATOM 0 H VAL A 42 4.248 7.739 7.647 1.00 0.00 H new ATOM 0 HA VAL A 42 3.294 5.946 5.707 1.00 0.00 H new ATOM 0 HB VAL A 42 2.641 7.701 4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.511 9.326 5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.372 7.640 6.436 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.536 8.738 7.214 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.369 10.079 4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.610 9.606 5.674 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.678 8.972 4.012 1.00 0.00 H new ATOM 648 N VAL A 43 6.312 7.260 5.256 1.00 0.00 N ATOM 649 CA VAL A 43 7.582 7.197 4.491 1.00 0.00 C ATOM 650 C VAL A 43 8.192 5.789 4.567 1.00 0.00 C ATOM 651 O VAL A 43 8.637 5.221 3.564 1.00 0.00 O ATOM 652 CB VAL A 43 8.597 8.253 5.040 1.00 0.00 C ATOM 653 CG1 VAL A 43 9.846 8.388 4.145 1.00 0.00 C ATOM 654 CG2 VAL A 43 7.884 9.596 5.240 1.00 0.00 C ATOM 0 H VAL A 43 6.356 7.846 6.090 1.00 0.00 H new ATOM 0 HA VAL A 43 7.365 7.424 3.447 1.00 0.00 H new ATOM 0 HB VAL A 43 8.964 7.905 6.006 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.519 9.133 4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.358 7.427 4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.545 8.699 3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.593 10.331 5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.483 9.941 4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.069 9.473 5.953 1.00 0.00 H new ATOM 664 N ASN A 44 8.174 5.252 5.788 1.00 0.00 N ATOM 665 CA ASN A 44 8.699 3.924 6.125 1.00 0.00 C ATOM 666 C ASN A 44 7.968 2.795 5.380 1.00 0.00 C ATOM 667 O ASN A 44 8.605 1.822 4.963 1.00 0.00 O ATOM 668 CB ASN A 44 8.624 3.722 7.663 1.00 0.00 C ATOM 669 CG ASN A 44 9.746 4.431 8.434 1.00 0.00 C ATOM 670 OD1 ASN A 44 10.874 4.532 7.961 1.00 0.00 O ATOM 671 ND2 ASN A 44 9.439 4.944 9.616 1.00 0.00 N ATOM 0 H ASN A 44 7.783 5.741 6.593 1.00 0.00 H new ATOM 0 HA ASN A 44 9.738 3.876 5.800 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.662 4.087 8.022 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.662 2.655 7.883 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.148 5.438 10.157 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.493 4.845 9.985 1.00 0.00 H new ATOM 678 N VAL A 45 6.637 2.922 5.227 1.00 0.00 N ATOM 679 CA VAL A 45 5.824 1.896 4.543 1.00 0.00 C ATOM 680 C VAL A 45 5.910 2.015 3.017 1.00 0.00 C ATOM 681 O VAL A 45 5.774 1.004 2.334 1.00 0.00 O ATOM 682 CB VAL A 45 4.327 1.895 4.998 1.00 0.00 C ATOM 683 CG1 VAL A 45 4.217 1.480 6.476 1.00 0.00 C ATOM 684 CG2 VAL A 45 3.650 3.255 4.759 1.00 0.00 C ATOM 0 H VAL A 45 6.102 3.722 5.566 1.00 0.00 H new ATOM 0 HA VAL A 45 6.257 0.941 4.842 1.00 0.00 H new ATOM 0 HB VAL A 45 3.798 1.164 4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.170 1.484 6.778 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.628 0.479 6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.775 2.183 7.094 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.612 3.208 5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.175 4.027 5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.682 3.495 3.696 1.00 0.00 H new ATOM 694 N ILE A 46 6.133 3.243 2.484 1.00 0.00 N ATOM 695 CA ILE A 46 6.417 3.429 1.041 1.00 0.00 C ATOM 696 C ILE A 46 7.686 2.641 0.695 1.00 0.00 C ATOM 697 O ILE A 46 7.642 1.715 -0.118 1.00 0.00 O ATOM 698 CB ILE A 46 6.587 4.953 0.638 1.00 0.00 C ATOM 699 CG1 ILE A 46 5.247 5.728 0.847 1.00 0.00 C ATOM 700 CG2 ILE A 46 7.088 5.111 -0.833 1.00 0.00 C ATOM 701 CD1 ILE A 46 5.343 7.240 0.726 1.00 0.00 C ATOM 0 H ILE A 46 6.122 4.108 3.025 1.00 0.00 H new ATOM 0 HA ILE A 46 5.563 3.059 0.474 1.00 0.00 H new ATOM 0 HB ILE A 46 7.347 5.382 1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.521 5.368 0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.856 5.484 1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.192 6.170 -1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.054 4.618 -0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.368 4.655 -1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.360 7.681 0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.039 7.621 1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.699 7.503 -0.270 1.00 0.00 H new ATOM 713 N THR A 47 8.774 2.974 1.419 1.00 0.00 N ATOM 714 CA THR A 47 10.103 2.365 1.251 1.00 0.00 C ATOM 715 C THR A 47 10.041 0.833 1.398 1.00 0.00 C ATOM 716 O THR A 47 10.617 0.101 0.596 1.00 0.00 O ATOM 717 CB THR A 47 11.097 2.957 2.302 1.00 0.00 C ATOM 718 OG1 THR A 47 11.058 4.389 2.245 1.00 0.00 O ATOM 719 CG2 THR A 47 12.544 2.480 2.078 1.00 0.00 C ATOM 0 H THR A 47 8.750 3.686 2.149 1.00 0.00 H new ATOM 0 HA THR A 47 10.454 2.595 0.245 1.00 0.00 H new ATOM 0 HB THR A 47 10.781 2.602 3.283 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.295 4.716 2.766 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.193 2.920 2.835 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.585 1.393 2.153 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.880 2.788 1.088 1.00 0.00 H new ATOM 727 N ALA A 48 9.304 0.380 2.424 1.00 0.00 N ATOM 728 CA ALA A 48 9.102 -1.049 2.706 1.00 0.00 C ATOM 729 C ALA A 48 8.435 -1.781 1.527 1.00 0.00 C ATOM 730 O ALA A 48 8.923 -2.835 1.109 1.00 0.00 O ATOM 731 CB ALA A 48 8.297 -1.217 3.991 1.00 0.00 C ATOM 0 H ALA A 48 8.830 0.997 3.083 1.00 0.00 H new ATOM 0 HA ALA A 48 10.081 -1.508 2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.152 -2.278 4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.837 -0.760 4.821 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.327 -0.733 3.879 1.00 0.00 H new ATOM 737 N LEU A 49 7.343 -1.199 0.981 1.00 0.00 N ATOM 738 CA LEU A 49 6.656 -1.721 -0.227 1.00 0.00 C ATOM 739 C LEU A 49 7.678 -1.929 -1.376 1.00 0.00 C ATOM 740 O LEU A 49 7.757 -3.026 -1.962 1.00 0.00 O ATOM 741 CB LEU A 49 5.492 -0.750 -0.667 1.00 0.00 C ATOM 742 CG LEU A 49 4.032 -1.117 -0.228 1.00 0.00 C ATOM 743 CD1 LEU A 49 3.540 -2.390 -0.931 1.00 0.00 C ATOM 744 CD2 LEU A 49 3.889 -1.242 1.301 1.00 0.00 C ATOM 0 H LEU A 49 6.913 -0.357 1.363 1.00 0.00 H new ATOM 0 HA LEU A 49 6.211 -2.687 0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.719 0.243 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.507 -0.679 -1.755 1.00 0.00 H new ATOM 0 HG LEU A 49 3.397 -0.288 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.525 -2.617 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.548 -2.236 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.197 -3.222 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.859 -1.497 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.555 -2.024 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.151 -0.294 1.770 1.00 0.00 H new ATOM 756 N GLU A 50 8.489 -0.874 -1.625 1.00 0.00 N ATOM 757 CA GLU A 50 9.523 -0.856 -2.687 1.00 0.00 C ATOM 758 C GLU A 50 10.533 -2.009 -2.508 1.00 0.00 C ATOM 759 O GLU A 50 10.906 -2.665 -3.476 1.00 0.00 O ATOM 760 CB GLU A 50 10.290 0.507 -2.694 1.00 0.00 C ATOM 761 CG GLU A 50 9.417 1.784 -2.642 1.00 0.00 C ATOM 762 CD GLU A 50 8.600 2.088 -3.907 1.00 0.00 C ATOM 763 OE1 GLU A 50 7.762 1.259 -4.321 1.00 0.00 O ATOM 764 OE2 GLU A 50 8.775 3.188 -4.487 1.00 0.00 O ATOM 0 H GLU A 50 8.444 -0.006 -1.091 1.00 0.00 H new ATOM 0 HA GLU A 50 9.009 -0.985 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.969 0.522 -1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.905 0.549 -3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.730 1.697 -1.801 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.065 2.636 -2.437 1.00 0.00 H new ATOM 771 N GLU A 51 10.961 -2.231 -1.252 1.00 0.00 N ATOM 772 CA GLU A 51 11.979 -3.243 -0.897 1.00 0.00 C ATOM 773 C GLU A 51 11.485 -4.684 -1.124 1.00 0.00 C ATOM 774 O GLU A 51 12.157 -5.472 -1.800 1.00 0.00 O ATOM 775 CB GLU A 51 12.438 -3.036 0.576 1.00 0.00 C ATOM 776 CG GLU A 51 13.244 -1.738 0.819 1.00 0.00 C ATOM 777 CD GLU A 51 14.603 -1.721 0.091 1.00 0.00 C ATOM 778 OE1 GLU A 51 14.666 -1.305 -1.093 1.00 0.00 O ATOM 779 OE2 GLU A 51 15.617 -2.155 0.692 1.00 0.00 O ATOM 0 H GLU A 51 10.609 -1.711 -0.448 1.00 0.00 H new ATOM 0 HA GLU A 51 12.830 -3.102 -1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.559 -3.029 1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.047 -3.889 0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.652 -0.884 0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.411 -1.617 1.889 1.00 0.00 H new ATOM 786 N TYR A 52 10.311 -5.014 -0.556 1.00 0.00 N ATOM 787 CA TYR A 52 9.765 -6.388 -0.589 1.00 0.00 C ATOM 788 C TYR A 52 9.313 -6.810 -2.006 1.00 0.00 C ATOM 789 O TYR A 52 9.527 -7.959 -2.402 1.00 0.00 O ATOM 790 CB TYR A 52 8.615 -6.557 0.443 1.00 0.00 C ATOM 791 CG TYR A 52 9.081 -6.452 1.913 1.00 0.00 C ATOM 792 CD1 TYR A 52 9.837 -7.471 2.508 1.00 0.00 C ATOM 793 CD2 TYR A 52 8.780 -5.341 2.704 1.00 0.00 C ATOM 794 CE1 TYR A 52 10.269 -7.369 3.819 1.00 0.00 C ATOM 795 CE2 TYR A 52 9.207 -5.243 4.010 1.00 0.00 C ATOM 796 CZ TYR A 52 9.952 -6.256 4.561 1.00 0.00 C ATOM 797 OH TYR A 52 10.383 -6.151 5.862 1.00 0.00 O ATOM 0 H TYR A 52 9.717 -4.345 -0.065 1.00 0.00 H new ATOM 0 HA TYR A 52 10.577 -7.058 -0.307 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.856 -5.797 0.256 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.140 -7.526 0.290 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.087 -8.351 1.934 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.197 -4.537 2.280 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.855 -8.163 4.259 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.957 -4.373 4.598 1.00 0.00 H new ATOM 0 HH TYR A 52 9.624 -5.931 6.441 1.00 0.00 H new ATOM 807 N PHE A 53 8.694 -5.889 -2.772 1.00 0.00 N ATOM 808 CA PHE A 53 8.207 -6.196 -4.147 1.00 0.00 C ATOM 809 C PHE A 53 9.274 -5.890 -5.239 1.00 0.00 C ATOM 810 O PHE A 53 9.128 -6.357 -6.376 1.00 0.00 O ATOM 811 CB PHE A 53 6.915 -5.406 -4.464 1.00 0.00 C ATOM 812 CG PHE A 53 5.641 -5.836 -3.723 1.00 0.00 C ATOM 813 CD1 PHE A 53 5.378 -5.410 -2.421 1.00 0.00 C ATOM 814 CD2 PHE A 53 4.687 -6.643 -4.347 1.00 0.00 C ATOM 815 CE1 PHE A 53 4.206 -5.773 -1.774 1.00 0.00 C ATOM 816 CE2 PHE A 53 3.516 -6.999 -3.703 1.00 0.00 C ATOM 817 CZ PHE A 53 3.277 -6.568 -2.416 1.00 0.00 C ATOM 0 H PHE A 53 8.517 -4.931 -2.471 1.00 0.00 H new ATOM 0 HA PHE A 53 8.000 -7.266 -4.166 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.097 -4.354 -4.244 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.726 -5.479 -5.535 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.098 -4.788 -1.909 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.867 -6.996 -5.352 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.020 -5.433 -0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.788 -7.616 -4.209 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.365 -6.851 -1.911 1.00 0.00 H new ATOM 827 N ASP A 54 10.313 -5.091 -4.885 1.00 0.00 N ATOM 828 CA ASP A 54 11.377 -4.615 -5.823 1.00 0.00 C ATOM 829 C ASP A 54 10.766 -3.829 -7.005 1.00 0.00 C ATOM 830 O ASP A 54 10.811 -4.275 -8.159 1.00 0.00 O ATOM 831 CB ASP A 54 12.309 -5.763 -6.331 1.00 0.00 C ATOM 832 CG ASP A 54 13.171 -6.420 -5.236 1.00 0.00 C ATOM 833 OD1 ASP A 54 13.866 -5.692 -4.488 1.00 0.00 O ATOM 834 OD2 ASP A 54 13.174 -7.666 -5.133 1.00 0.00 O ATOM 0 H ASP A 54 10.442 -4.752 -3.932 1.00 0.00 H new ATOM 0 HA ASP A 54 12.011 -3.940 -5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.695 -6.531 -6.801 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.967 -5.364 -7.103 1.00 0.00 H new ATOM 839 N PHE A 55 10.143 -2.685 -6.691 1.00 0.00 N ATOM 840 CA PHE A 55 9.532 -1.779 -7.694 1.00 0.00 C ATOM 841 C PHE A 55 9.607 -0.327 -7.192 1.00 0.00 C ATOM 842 O PHE A 55 10.193 -0.071 -6.133 1.00 0.00 O ATOM 843 CB PHE A 55 8.053 -2.197 -7.977 1.00 0.00 C ATOM 844 CG PHE A 55 7.033 -1.838 -6.884 1.00 0.00 C ATOM 845 CD1 PHE A 55 7.217 -2.229 -5.567 1.00 0.00 C ATOM 846 CD2 PHE A 55 5.889 -1.112 -7.186 1.00 0.00 C ATOM 847 CE1 PHE A 55 6.290 -1.921 -4.592 1.00 0.00 C ATOM 848 CE2 PHE A 55 4.966 -0.805 -6.209 1.00 0.00 C ATOM 849 CZ PHE A 55 5.169 -1.206 -4.911 1.00 0.00 C ATOM 0 H PHE A 55 10.044 -2.354 -5.731 1.00 0.00 H new ATOM 0 HA PHE A 55 10.085 -1.854 -8.630 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.736 -1.731 -8.910 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.024 -3.275 -8.134 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.103 -2.785 -5.299 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.720 -0.783 -8.201 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.450 -2.246 -3.574 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.078 -0.246 -6.466 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.447 -0.958 -4.147 1.00 0.00 H new ATOM 859 N SER A 56 9.024 0.617 -7.958 1.00 0.00 N ATOM 860 CA SER A 56 8.856 2.006 -7.504 1.00 0.00 C ATOM 861 C SER A 56 7.442 2.532 -7.814 1.00 0.00 C ATOM 862 O SER A 56 7.052 2.617 -8.990 1.00 0.00 O ATOM 863 CB SER A 56 9.926 2.930 -8.123 1.00 0.00 C ATOM 864 OG SER A 56 9.877 4.234 -7.552 1.00 0.00 O ATOM 0 H SER A 56 8.662 0.439 -8.895 1.00 0.00 H new ATOM 0 HA SER A 56 8.987 2.011 -6.422 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.915 2.500 -7.967 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.773 2.996 -9.200 1.00 0.00 H new ATOM 0 HG SER A 56 10.567 4.797 -7.962 1.00 0.00 H new ATOM 870 N VAL A 57 6.673 2.862 -6.750 1.00 0.00 N ATOM 871 CA VAL A 57 5.401 3.604 -6.879 1.00 0.00 C ATOM 872 C VAL A 57 5.751 5.047 -7.312 1.00 0.00 C ATOM 873 O VAL A 57 6.601 5.681 -6.680 1.00 0.00 O ATOM 874 CB VAL A 57 4.568 3.647 -5.527 1.00 0.00 C ATOM 875 CG1 VAL A 57 3.108 4.093 -5.781 1.00 0.00 C ATOM 876 CG2 VAL A 57 4.591 2.311 -4.763 1.00 0.00 C ATOM 0 H VAL A 57 6.915 2.623 -5.788 1.00 0.00 H new ATOM 0 HA VAL A 57 4.775 3.094 -7.612 1.00 0.00 H new ATOM 0 HB VAL A 57 5.060 4.386 -4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.564 4.112 -4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.104 5.089 -6.223 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.627 3.392 -6.463 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.005 2.404 -3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.165 1.527 -5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.620 2.055 -4.509 1.00 0.00 H new ATOM 886 N ASP A 58 5.129 5.554 -8.392 1.00 0.00 N ATOM 887 CA ASP A 58 5.495 6.870 -8.960 1.00 0.00 C ATOM 888 C ASP A 58 5.012 8.015 -8.044 1.00 0.00 C ATOM 889 O ASP A 58 3.938 7.924 -7.458 1.00 0.00 O ATOM 890 CB ASP A 58 4.910 7.033 -10.388 1.00 0.00 C ATOM 891 CG ASP A 58 5.357 8.341 -11.058 1.00 0.00 C ATOM 892 OD1 ASP A 58 6.530 8.426 -11.462 1.00 0.00 O ATOM 893 OD2 ASP A 58 4.560 9.297 -11.147 1.00 0.00 O ATOM 0 H ASP A 58 4.375 5.078 -8.888 1.00 0.00 H new ATOM 0 HA ASP A 58 6.582 6.920 -9.026 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.220 6.188 -11.003 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.821 7.008 -10.337 1.00 0.00 H new ATOM 898 N ASP A 59 5.823 9.080 -7.940 1.00 0.00 N ATOM 899 CA ASP A 59 5.542 10.270 -7.106 1.00 0.00 C ATOM 900 C ASP A 59 4.127 10.848 -7.352 1.00 0.00 C ATOM 901 O ASP A 59 3.389 11.134 -6.404 1.00 0.00 O ATOM 902 CB ASP A 59 6.619 11.352 -7.389 1.00 0.00 C ATOM 903 CG ASP A 59 6.371 12.689 -6.662 1.00 0.00 C ATOM 904 OD1 ASP A 59 6.731 12.807 -5.475 1.00 0.00 O ATOM 905 OD2 ASP A 59 5.812 13.622 -7.280 1.00 0.00 O ATOM 0 H ASP A 59 6.710 9.144 -8.440 1.00 0.00 H new ATOM 0 HA ASP A 59 5.577 9.962 -6.061 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.594 10.965 -7.094 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.661 11.536 -8.462 1.00 0.00 H new ATOM 910 N ASP A 60 3.755 10.952 -8.639 1.00 0.00 N ATOM 911 CA ASP A 60 2.494 11.596 -9.070 1.00 0.00 C ATOM 912 C ASP A 60 1.251 10.776 -8.656 1.00 0.00 C ATOM 913 O ASP A 60 0.152 11.333 -8.544 1.00 0.00 O ATOM 914 CB ASP A 60 2.523 11.815 -10.601 1.00 0.00 C ATOM 915 CG ASP A 60 1.285 12.543 -11.157 1.00 0.00 C ATOM 916 OD1 ASP A 60 1.153 13.761 -10.925 1.00 0.00 O ATOM 917 OD2 ASP A 60 0.438 11.903 -11.820 1.00 0.00 O ATOM 0 H ASP A 60 4.316 10.594 -9.412 1.00 0.00 H new ATOM 0 HA ASP A 60 2.416 12.560 -8.566 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.414 12.388 -10.858 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.613 10.847 -11.094 1.00 0.00 H new ATOM 922 N GLU A 61 1.430 9.465 -8.404 1.00 0.00 N ATOM 923 CA GLU A 61 0.312 8.579 -8.006 1.00 0.00 C ATOM 924 C GLU A 61 0.275 8.393 -6.474 1.00 0.00 C ATOM 925 O GLU A 61 -0.766 8.031 -5.923 1.00 0.00 O ATOM 926 CB GLU A 61 0.373 7.210 -8.745 1.00 0.00 C ATOM 927 CG GLU A 61 1.486 6.254 -8.286 1.00 0.00 C ATOM 928 CD GLU A 61 1.544 4.937 -9.075 1.00 0.00 C ATOM 929 OE1 GLU A 61 0.739 4.026 -8.795 1.00 0.00 O ATOM 930 OE2 GLU A 61 2.394 4.809 -9.975 1.00 0.00 O ATOM 0 H GLU A 61 2.333 8.995 -8.468 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.617 9.063 -8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.586 6.708 -8.621 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.498 7.399 -9.811 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.446 6.762 -8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.343 6.027 -7.230 1.00 0.00 H new ATOM 937 N ILE A 62 1.418 8.644 -5.790 1.00 0.00 N ATOM 938 CA ILE A 62 1.501 8.558 -4.313 1.00 0.00 C ATOM 939 C ILE A 62 0.825 9.784 -3.668 1.00 0.00 C ATOM 940 O ILE A 62 1.253 10.925 -3.884 1.00 0.00 O ATOM 941 CB ILE A 62 2.988 8.460 -3.780 1.00 0.00 C ATOM 942 CG1 ILE A 62 3.723 7.232 -4.377 1.00 0.00 C ATOM 943 CG2 ILE A 62 3.021 8.393 -2.231 1.00 0.00 C ATOM 944 CD1 ILE A 62 5.164 7.058 -3.932 1.00 0.00 C ATOM 0 H ILE A 62 2.295 8.908 -6.239 1.00 0.00 H new ATOM 0 HA ILE A 62 0.985 7.640 -4.033 1.00 0.00 H new ATOM 0 HB ILE A 62 3.507 9.363 -4.103 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.167 6.333 -4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.703 7.310 -5.464 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.055 8.326 -1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.561 9.291 -1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.471 7.515 -1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.587 6.172 -4.406 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.743 7.935 -4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.199 6.942 -2.849 1.00 0.00 H new ATOM 956 N SER A 63 -0.236 9.528 -2.899 1.00 0.00 N ATOM 957 CA SER A 63 -0.940 10.540 -2.106 1.00 0.00 C ATOM 958 C SER A 63 -1.424 9.912 -0.783 1.00 0.00 C ATOM 959 O SER A 63 -1.198 8.717 -0.526 1.00 0.00 O ATOM 960 CB SER A 63 -2.136 11.092 -2.932 1.00 0.00 C ATOM 961 OG SER A 63 -2.867 12.070 -2.214 1.00 0.00 O ATOM 0 H SER A 63 -0.638 8.595 -2.808 1.00 0.00 H new ATOM 0 HA SER A 63 -0.270 11.366 -1.867 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.766 11.525 -3.861 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.799 10.271 -3.204 1.00 0.00 H new ATOM 0 HG SER A 63 -3.609 12.394 -2.766 1.00 0.00 H new ATOM 967 N ALA A 64 -2.080 10.735 0.046 1.00 0.00 N ATOM 968 CA ALA A 64 -2.844 10.276 1.217 1.00 0.00 C ATOM 969 C ALA A 64 -3.976 9.326 0.774 1.00 0.00 C ATOM 970 O ALA A 64 -4.281 8.349 1.449 1.00 0.00 O ATOM 971 CB ALA A 64 -3.421 11.480 1.977 1.00 0.00 C ATOM 0 H ALA A 64 -2.096 11.747 -0.077 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.175 9.732 1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.984 11.129 2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.607 12.123 2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.082 12.044 1.318 1.00 0.00 H new ATOM 977 N GLN A 65 -4.540 9.622 -0.413 1.00 0.00 N ATOM 978 CA GLN A 65 -5.625 8.833 -1.027 1.00 0.00 C ATOM 979 C GLN A 65 -5.145 7.430 -1.461 1.00 0.00 C ATOM 980 O GLN A 65 -5.960 6.537 -1.699 1.00 0.00 O ATOM 981 CB GLN A 65 -6.220 9.619 -2.230 1.00 0.00 C ATOM 982 CG GLN A 65 -6.756 11.020 -1.869 1.00 0.00 C ATOM 983 CD GLN A 65 -7.801 10.999 -0.746 1.00 0.00 C ATOM 984 OE1 GLN A 65 -8.995 10.857 -0.993 1.00 0.00 O ATOM 985 NE2 GLN A 65 -7.358 11.161 0.496 1.00 0.00 N ATOM 0 H GLN A 65 -4.253 10.422 -0.977 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.403 8.678 -0.279 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.452 9.723 -2.997 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.030 9.034 -2.667 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.922 11.654 -1.568 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.196 11.473 -2.757 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.360 11.277 0.670 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.016 11.170 1.275 1.00 0.00 H new ATOM 994 N THR A 66 -3.817 7.252 -1.564 1.00 0.00 N ATOM 995 CA THR A 66 -3.195 5.956 -1.859 1.00 0.00 C ATOM 996 C THR A 66 -3.103 5.108 -0.571 1.00 0.00 C ATOM 997 O THR A 66 -3.294 3.893 -0.608 1.00 0.00 O ATOM 998 CB THR A 66 -1.767 6.162 -2.467 1.00 0.00 C ATOM 999 OG1 THR A 66 -1.851 7.071 -3.574 1.00 0.00 O ATOM 1000 CG2 THR A 66 -1.116 4.844 -2.929 1.00 0.00 C ATOM 0 H THR A 66 -3.144 8.009 -1.444 1.00 0.00 H new ATOM 0 HA THR A 66 -3.813 5.431 -2.588 1.00 0.00 H new ATOM 0 HB THR A 66 -1.134 6.570 -1.679 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.091 6.925 -4.175 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.128 5.051 -3.341 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.020 4.168 -2.079 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.738 4.379 -3.694 1.00 0.00 H new ATOM 1008 N PHE A 67 -2.809 5.775 0.567 1.00 0.00 N ATOM 1009 CA PHE A 67 -2.601 5.101 1.879 1.00 0.00 C ATOM 1010 C PHE A 67 -3.799 5.281 2.827 1.00 0.00 C ATOM 1011 O PHE A 67 -3.685 5.016 4.038 1.00 0.00 O ATOM 1012 CB PHE A 67 -1.284 5.610 2.530 1.00 0.00 C ATOM 1013 CG PHE A 67 -0.017 5.097 1.832 1.00 0.00 C ATOM 1014 CD1 PHE A 67 0.374 5.597 0.588 1.00 0.00 C ATOM 1015 CD2 PHE A 67 0.764 4.094 2.408 1.00 0.00 C ATOM 1016 CE1 PHE A 67 1.506 5.124 -0.048 1.00 0.00 C ATOM 1017 CE2 PHE A 67 1.892 3.619 1.764 1.00 0.00 C ATOM 1018 CZ PHE A 67 2.261 4.129 0.540 1.00 0.00 C ATOM 0 H PHE A 67 -2.709 6.789 0.608 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.516 4.030 1.695 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.280 6.700 2.518 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.263 5.303 3.576 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.218 6.366 0.115 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.484 3.684 3.367 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.800 5.532 -1.004 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.487 2.844 2.224 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.141 3.751 0.040 1.00 0.00 H new ATOM 1028 N GLU A 68 -4.947 5.724 2.270 1.00 0.00 N ATOM 1029 CA GLU A 68 -6.194 5.881 3.038 1.00 0.00 C ATOM 1030 C GLU A 68 -6.670 4.519 3.585 1.00 0.00 C ATOM 1031 O GLU A 68 -7.021 4.408 4.752 1.00 0.00 O ATOM 1032 CB GLU A 68 -7.311 6.560 2.188 1.00 0.00 C ATOM 1033 CG GLU A 68 -7.731 5.793 0.921 1.00 0.00 C ATOM 1034 CD GLU A 68 -8.955 6.390 0.209 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -8.841 7.479 -0.392 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -10.045 5.775 0.251 1.00 0.00 O ATOM 0 H GLU A 68 -5.032 5.979 1.286 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.983 6.538 3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.190 6.698 2.817 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.969 7.553 1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.892 5.773 0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.947 4.759 1.189 1.00 0.00 H new ATOM 1043 N THR A 69 -6.662 3.482 2.725 1.00 0.00 N ATOM 1044 CA THR A 69 -7.094 2.116 3.086 1.00 0.00 C ATOM 1045 C THR A 69 -6.122 1.073 2.503 1.00 0.00 C ATOM 1046 O THR A 69 -5.406 1.362 1.528 1.00 0.00 O ATOM 1047 CB THR A 69 -8.544 1.810 2.561 1.00 0.00 C ATOM 1048 OG1 THR A 69 -8.595 1.973 1.135 1.00 0.00 O ATOM 1049 CG2 THR A 69 -9.625 2.707 3.207 1.00 0.00 C ATOM 0 H THR A 69 -6.355 3.568 1.756 1.00 0.00 H new ATOM 0 HA THR A 69 -7.095 2.056 4.174 1.00 0.00 H new ATOM 0 HB THR A 69 -8.762 0.779 2.841 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.501 1.779 0.816 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.603 2.446 2.803 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.626 2.555 4.286 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.409 3.753 2.988 1.00 0.00 H new ATOM 1057 N LEU A 70 -6.112 -0.147 3.101 1.00 0.00 N ATOM 1058 CA LEU A 70 -5.325 -1.296 2.600 1.00 0.00 C ATOM 1059 C LEU A 70 -5.672 -1.594 1.134 1.00 0.00 C ATOM 1060 O LEU A 70 -4.791 -1.923 0.330 1.00 0.00 O ATOM 1061 CB LEU A 70 -5.592 -2.571 3.451 1.00 0.00 C ATOM 1062 CG LEU A 70 -4.857 -3.868 2.958 1.00 0.00 C ATOM 1063 CD1 LEU A 70 -3.336 -3.745 3.123 1.00 0.00 C ATOM 1064 CD2 LEU A 70 -5.390 -5.143 3.638 1.00 0.00 C ATOM 0 H LEU A 70 -6.649 -0.358 3.942 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.272 -1.027 2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.292 -2.371 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.665 -2.763 3.463 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.075 -3.965 1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.857 -4.659 2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.974 -2.899 2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.096 -3.589 4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.848 -6.010 3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.248 -5.067 4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.452 -5.256 3.419 1.00 0.00 H new ATOM 1076 N GLY A 71 -6.979 -1.480 0.828 1.00 0.00 N ATOM 1077 CA GLY A 71 -7.499 -1.717 -0.509 1.00 0.00 C ATOM 1078 C GLY A 71 -6.870 -0.807 -1.545 1.00 0.00 C ATOM 1079 O GLY A 71 -6.511 -1.260 -2.622 1.00 0.00 O ATOM 0 H GLY A 71 -7.693 -1.221 1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.320 -2.756 -0.786 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.579 -1.569 -0.507 1.00 0.00 H new ATOM 1083 N SER A 72 -6.692 0.474 -1.180 1.00 0.00 N ATOM 1084 CA SER A 72 -6.084 1.478 -2.067 1.00 0.00 C ATOM 1085 C SER A 72 -4.649 1.071 -2.460 1.00 0.00 C ATOM 1086 O SER A 72 -4.303 1.109 -3.648 1.00 0.00 O ATOM 1087 CB SER A 72 -6.132 2.861 -1.396 1.00 0.00 C ATOM 1088 OG SER A 72 -7.470 3.230 -1.095 1.00 0.00 O ATOM 0 H SER A 72 -6.964 0.840 -0.268 1.00 0.00 H new ATOM 0 HA SER A 72 -6.657 1.533 -2.992 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.539 2.847 -0.481 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.684 3.605 -2.054 1.00 0.00 H new ATOM 0 HG SER A 72 -7.769 2.751 -0.294 1.00 0.00 H new ATOM 1094 N LEU A 73 -3.840 0.620 -1.469 1.00 0.00 N ATOM 1095 CA LEU A 73 -2.478 0.107 -1.747 1.00 0.00 C ATOM 1096 C LEU A 73 -2.538 -1.136 -2.632 1.00 0.00 C ATOM 1097 O LEU A 73 -1.734 -1.274 -3.546 1.00 0.00 O ATOM 1098 CB LEU A 73 -1.687 -0.258 -0.459 1.00 0.00 C ATOM 1099 CG LEU A 73 -1.151 0.914 0.407 1.00 0.00 C ATOM 1100 CD1 LEU A 73 -0.433 1.957 -0.463 1.00 0.00 C ATOM 1101 CD2 LEU A 73 -2.264 1.534 1.257 1.00 0.00 C ATOM 0 H LEU A 73 -4.104 0.601 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.957 0.920 -2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.331 -0.873 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.839 -0.878 -0.749 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.413 0.513 1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.067 2.767 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.407 1.488 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.129 2.357 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.856 2.351 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.049 1.917 0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.680 0.776 1.920 1.00 0.00 H new ATOM 1113 N ALA A 74 -3.496 -2.028 -2.329 1.00 0.00 N ATOM 1114 CA ALA A 74 -3.653 -3.308 -3.017 1.00 0.00 C ATOM 1115 C ALA A 74 -3.888 -3.101 -4.516 1.00 0.00 C ATOM 1116 O ALA A 74 -3.176 -3.681 -5.315 1.00 0.00 O ATOM 1117 CB ALA A 74 -4.777 -4.129 -2.383 1.00 0.00 C ATOM 0 H ALA A 74 -4.185 -1.874 -1.593 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.726 -3.871 -2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.877 -5.078 -2.910 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.543 -4.319 -1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.714 -3.576 -2.450 1.00 0.00 H new ATOM 1123 N LEU A 75 -4.834 -2.205 -4.865 1.00 0.00 N ATOM 1124 CA LEU A 75 -5.188 -1.890 -6.269 1.00 0.00 C ATOM 1125 C LEU A 75 -3.999 -1.232 -6.996 1.00 0.00 C ATOM 1126 O LEU A 75 -3.687 -1.595 -8.145 1.00 0.00 O ATOM 1127 CB LEU A 75 -6.456 -0.974 -6.360 1.00 0.00 C ATOM 1128 CG LEU A 75 -7.854 -1.681 -6.319 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -7.985 -2.740 -7.432 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -8.148 -2.287 -4.944 1.00 0.00 C ATOM 0 H LEU A 75 -5.376 -1.677 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.425 -2.833 -6.762 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.415 -0.258 -5.539 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.394 -0.402 -7.286 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.604 -0.911 -6.502 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.967 -3.210 -7.373 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.869 -2.262 -8.405 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.212 -3.498 -7.306 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.127 -2.767 -4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.385 -3.027 -4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.142 -1.499 -4.191 1.00 0.00 H new ATOM 1142 N PHE A 76 -3.331 -0.280 -6.312 1.00 0.00 N ATOM 1143 CA PHE A 76 -2.152 0.402 -6.874 1.00 0.00 C ATOM 1144 C PHE A 76 -1.058 -0.617 -7.233 1.00 0.00 C ATOM 1145 O PHE A 76 -0.624 -0.649 -8.374 1.00 0.00 O ATOM 1146 CB PHE A 76 -1.621 1.507 -5.911 1.00 0.00 C ATOM 1147 CG PHE A 76 -2.319 2.864 -6.089 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -3.699 2.989 -5.945 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -1.591 4.011 -6.417 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -4.327 4.205 -6.116 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -2.222 5.227 -6.590 1.00 0.00 C ATOM 1152 CZ PHE A 76 -3.588 5.326 -6.437 1.00 0.00 C ATOM 0 H PHE A 76 -3.588 0.031 -5.375 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.455 0.903 -7.794 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.751 1.173 -4.882 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.551 1.634 -6.072 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.287 2.119 -5.695 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.520 3.945 -6.537 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.398 4.280 -5.999 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.644 6.103 -6.846 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.079 6.279 -6.568 1.00 0.00 H new ATOM 1162 N VAL A 77 -0.682 -1.494 -6.278 1.00 0.00 N ATOM 1163 CA VAL A 77 0.385 -2.503 -6.483 1.00 0.00 C ATOM 1164 C VAL A 77 -0.059 -3.628 -7.453 1.00 0.00 C ATOM 1165 O VAL A 77 0.796 -4.273 -8.070 1.00 0.00 O ATOM 1166 CB VAL A 77 0.954 -3.087 -5.136 1.00 0.00 C ATOM 1167 CG1 VAL A 77 1.522 -1.961 -4.238 1.00 0.00 C ATOM 1168 CG2 VAL A 77 -0.095 -3.913 -4.377 1.00 0.00 C ATOM 0 H VAL A 77 -1.104 -1.525 -5.350 1.00 0.00 H new ATOM 0 HA VAL A 77 1.211 -1.970 -6.954 1.00 0.00 H new ATOM 0 HB VAL A 77 1.769 -3.761 -5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.908 -2.392 -3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.327 -1.448 -4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.731 -1.249 -4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.341 -4.296 -3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.952 -3.283 -4.139 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.420 -4.747 -4.998 1.00 0.00 H new ATOM 1178 N GLU A 78 -1.392 -3.877 -7.578 1.00 0.00 N ATOM 1179 CA GLU A 78 -1.938 -4.751 -8.650 1.00 0.00 C ATOM 1180 C GLU A 78 -1.498 -4.207 -10.014 1.00 0.00 C ATOM 1181 O GLU A 78 -1.051 -4.956 -10.882 1.00 0.00 O ATOM 1182 CB GLU A 78 -3.502 -4.845 -8.634 1.00 0.00 C ATOM 1183 CG GLU A 78 -4.137 -5.615 -7.456 1.00 0.00 C ATOM 1184 CD GLU A 78 -3.761 -7.106 -7.358 1.00 0.00 C ATOM 1185 OE1 GLU A 78 -3.482 -7.740 -8.396 1.00 0.00 O ATOM 1186 OE2 GLU A 78 -3.770 -7.661 -6.236 1.00 0.00 O ATOM 0 H GLU A 78 -2.100 -3.488 -6.956 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.548 -5.753 -8.470 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.904 -3.832 -8.635 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.824 -5.317 -9.562 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.849 -5.124 -6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.221 -5.536 -7.536 1.00 0.00 H new ATOM 1193 N HIS A 79 -1.617 -2.876 -10.174 1.00 0.00 N ATOM 1194 CA HIS A 79 -1.261 -2.195 -11.431 1.00 0.00 C ATOM 1195 C HIS A 79 0.268 -2.131 -11.620 1.00 0.00 C ATOM 1196 O HIS A 79 0.759 -2.340 -12.724 1.00 0.00 O ATOM 1197 CB HIS A 79 -1.884 -0.776 -11.471 1.00 0.00 C ATOM 1198 CG HIS A 79 -3.386 -0.760 -11.631 1.00 0.00 C ATOM 1199 ND1 HIS A 79 -4.058 0.191 -12.368 1.00 0.00 N ATOM 1200 CD2 HIS A 79 -4.341 -1.592 -11.156 1.00 0.00 C ATOM 1201 CE1 HIS A 79 -5.349 -0.054 -12.325 1.00 0.00 C ATOM 1202 NE2 HIS A 79 -5.549 -1.133 -11.600 1.00 0.00 N ATOM 0 H HIS A 79 -1.958 -2.250 -9.445 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.670 -2.775 -12.258 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.623 -0.251 -10.552 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.437 -0.219 -12.294 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.178 -2.462 -10.537 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.118 0.533 -12.805 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.455 -1.557 -11.402 1.00 0.00 H new ATOM 1211 N LYS A 80 0.999 -1.883 -10.521 1.00 0.00 N ATOM 1212 CA LYS A 80 2.457 -1.657 -10.547 1.00 0.00 C ATOM 1213 C LYS A 80 3.220 -2.903 -11.002 1.00 0.00 C ATOM 1214 O LYS A 80 4.015 -2.850 -11.927 1.00 0.00 O ATOM 1215 CB LYS A 80 2.965 -1.231 -9.145 1.00 0.00 C ATOM 1216 CG LYS A 80 2.395 0.097 -8.609 1.00 0.00 C ATOM 1217 CD LYS A 80 2.660 1.279 -9.545 1.00 0.00 C ATOM 1218 CE LYS A 80 4.155 1.577 -9.717 1.00 0.00 C ATOM 1219 NZ LYS A 80 4.396 2.778 -10.553 1.00 0.00 N ATOM 0 H LYS A 80 0.596 -1.833 -9.585 1.00 0.00 H new ATOM 0 HA LYS A 80 2.643 -0.859 -11.266 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.725 -2.022 -8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.052 -1.152 -9.180 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.320 -0.008 -8.460 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.833 0.307 -7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.221 1.070 -10.521 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.160 2.165 -9.154 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.610 1.722 -8.737 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.645 0.716 -10.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.342 3.159 -10.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.337 2.519 -11.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.678 3.500 -10.339 1.00 0.00 H new ATOM 1233 N LEU A 81 2.948 -4.024 -10.339 1.00 0.00 N ATOM 1234 CA LEU A 81 3.628 -5.306 -10.610 1.00 0.00 C ATOM 1235 C LEU A 81 3.113 -5.955 -11.923 1.00 0.00 C ATOM 1236 O LEU A 81 3.705 -6.915 -12.416 1.00 0.00 O ATOM 1237 CB LEU A 81 3.491 -6.268 -9.389 1.00 0.00 C ATOM 1238 CG LEU A 81 4.349 -5.937 -8.103 1.00 0.00 C ATOM 1239 CD1 LEU A 81 5.863 -5.936 -8.414 1.00 0.00 C ATOM 1240 CD2 LEU A 81 3.922 -4.613 -7.422 1.00 0.00 C ATOM 0 H LEU A 81 2.251 -4.078 -9.596 1.00 0.00 H new ATOM 0 HA LEU A 81 4.690 -5.106 -10.755 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.441 -6.294 -9.096 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.754 -7.273 -9.720 1.00 0.00 H new ATOM 0 HG LEU A 81 4.149 -6.737 -7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.421 -5.705 -7.507 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.160 -6.918 -8.782 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.078 -5.184 -9.173 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.545 -4.437 -6.545 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.042 -3.788 -8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.878 -4.681 -7.117 1.00 0.00 H new ATOM 1252 N SER A 82 1.984 -5.443 -12.460 1.00 0.00 N ATOM 1253 CA SER A 82 1.449 -5.837 -13.788 1.00 0.00 C ATOM 1254 C SER A 82 1.596 -4.695 -14.833 1.00 0.00 C ATOM 1255 O SER A 82 0.876 -4.696 -15.840 1.00 0.00 O ATOM 1256 CB SER A 82 -0.027 -6.266 -13.648 1.00 0.00 C ATOM 1257 OG SER A 82 -0.160 -7.395 -12.804 1.00 0.00 O ATOM 0 H SER A 82 1.414 -4.743 -11.986 1.00 0.00 H new ATOM 0 HA SER A 82 2.035 -6.680 -14.154 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.611 -5.438 -13.246 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.435 -6.496 -14.632 1.00 0.00 H new ATOM 0 HG SER A 82 -1.106 -7.641 -12.734 1.00 0.00 H new ATOM 1263 N HIS A 83 2.528 -3.734 -14.577 1.00 0.00 N ATOM 1264 CA HIS A 83 2.687 -2.487 -15.395 1.00 0.00 C ATOM 1265 C HIS A 83 2.783 -2.752 -16.926 1.00 0.00 C ATOM 1266 O HIS A 83 3.425 -3.739 -17.335 1.00 0.00 O ATOM 1267 CB HIS A 83 3.892 -1.621 -14.896 1.00 0.00 C ATOM 1268 CG HIS A 83 5.267 -2.275 -14.933 1.00 0.00 C ATOM 1269 ND1 HIS A 83 5.994 -2.561 -13.800 1.00 0.00 N ATOM 1270 CD2 HIS A 83 6.056 -2.656 -15.968 1.00 0.00 C ATOM 1271 CE1 HIS A 83 7.156 -3.079 -14.134 1.00 0.00 C ATOM 1272 NE2 HIS A 83 7.220 -3.151 -15.444 1.00 0.00 N ATOM 1273 OXT HIS A 83 2.232 -1.958 -17.709 1.00 0.00 O ATOM 0 H HIS A 83 3.189 -3.797 -13.803 1.00 0.00 H new ATOM 0 HA HIS A 83 1.769 -1.919 -15.244 1.00 0.00 H new ATOM 0 HB2 HIS A 83 3.931 -0.713 -15.498 1.00 0.00 H new ATOM 0 HB3 HIS A 83 3.689 -1.314 -13.870 1.00 0.00 H new ATOM 0 HD1 HIS A 83 5.679 -2.396 -12.844 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.810 -2.582 -17.017 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.928 -3.392 -13.447 1.00 0.00 H new TER 1282 HIS A 83 HETATM 1283 P24 PNS A 84 6.182 14.504 9.325 1.00 0.00 P HETATM 1284 O25 PNS A 84 7.256 14.129 10.267 1.00 0.00 O HETATM 1285 O26 PNS A 84 5.157 15.445 9.819 1.00 0.00 O HETATM 1286 O27 PNS A 84 6.836 15.080 7.954 1.00 0.00 O HETATM 1287 C28 PNS A 84 7.854 14.374 7.218 1.00 0.00 C HETATM 1288 C29 PNS A 84 7.348 13.855 5.824 1.00 0.00 C HETATM 1289 C30 PNS A 84 6.082 12.959 6.025 1.00 0.00 C HETATM 1290 C31 PNS A 84 8.469 12.980 5.199 1.00 0.00 C HETATM 1291 C32 PNS A 84 7.001 15.090 4.869 1.00 0.00 C HETATM 1292 O33 PNS A 84 8.204 15.644 4.303 1.00 0.00 O HETATM 1293 C34 PNS A 84 6.054 14.658 3.724 1.00 0.00 C HETATM 1294 O35 PNS A 84 4.908 15.133 3.654 1.00 0.00 O HETATM 1295 N36 PNS A 84 6.556 13.805 2.818 1.00 0.00 N HETATM 1296 C37 PNS A 84 5.762 13.275 1.696 1.00 0.00 C HETATM 1297 C38 PNS A 84 4.685 12.312 2.251 1.00 0.00 C HETATM 1298 C39 PNS A 84 3.952 11.442 1.236 1.00 0.00 C HETATM 1299 O40 PNS A 84 4.158 11.549 0.021 1.00 0.00 O HETATM 1300 N41 PNS A 84 3.073 10.573 1.774 1.00 0.00 N HETATM 1301 C42 PNS A 84 2.276 9.645 0.971 1.00 0.00 C HETATM 1302 C43 PNS A 84 1.469 8.679 1.826 1.00 0.00 C HETATM 1303 S44 PNS A 84 0.182 9.483 2.806 1.00 0.00 S HETATM 0 H432 PNS A 84 1.008 7.932 1.179 1.00 0.00 H new HETATM 0 H431 PNS A 84 2.145 8.147 2.496 1.00 0.00 H new HETATM 0 H422 PNS A 84 2.936 9.079 0.314 1.00 0.00 H new HETATM 0 H421 PNS A 84 1.599 10.212 0.332 1.00 0.00 H new HETATM 0 H382 PNS A 84 3.944 12.904 2.789 1.00 0.00 H new HETATM 0 H381 PNS A 84 5.159 11.656 2.981 1.00 0.00 H new HETATM 0 H372 PNS A 84 6.408 12.751 0.992 1.00 0.00 H new HETATM 0 H371 PNS A 84 5.291 14.092 1.149 1.00 0.00 H new HETATM 0 H313 PNS A 84 8.141 12.607 4.229 1.00 0.00 H new HETATM 0 H312 PNS A 84 8.683 12.138 5.858 1.00 0.00 H new HETATM 0 H311 PNS A 84 9.370 13.580 5.072 1.00 0.00 H new HETATM 0 H303 PNS A 84 5.733 12.600 5.057 1.00 0.00 H new HETATM 0 H302 PNS A 84 5.295 13.543 6.501 1.00 0.00 H new HETATM 0 H301 PNS A 84 6.335 12.108 6.658 1.00 0.00 H new HETATM 0 H282 PNS A 84 8.204 13.528 7.810 1.00 0.00 H new HETATM 0 H281 PNS A 84 8.709 15.033 7.067 1.00 0.00 H new HETATM 0 H44 PNS A 84 0.014 8.833 3.919 1.00 0.00 H new HETATM 0 H41 PNS A 84 2.958 10.562 2.787 1.00 0.00 H new HETATM 0 H36 PNS A 84 7.528 13.511 2.910 1.00 0.00 H new HETATM 0 H33 PNS A 84 7.974 16.397 3.720 1.00 0.00 H new HETATM 0 H32 PNS A 84 6.502 15.845 5.476 1.00 0.00 H new