USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 SER OG : rot -26:sc= 0.356 USER MOD Set 1.2: A 66 THR OG1 : rot -146:sc= 1.81 USER MOD Set 2.1: A 28 SER OG : rot -130:sc=-0.00303 USER MOD Set 2.2: A 33 ASN : amide:sc= 0.502 K(o=0.5,f=-7.2!) USER MOD Set 3.1: A 9 ASN : amide:sc= 1.07 K(o=2.3,f=-8.1!) USER MOD Set 3.2: A 21 LYS NZ :NH3+ 151:sc= 1.19 (180deg=0) USER MOD Single : A 1 MET CE :methyl 147:sc= -0.0451 (180deg=-1.07) USER MOD Single : A 1 MET N :NH3+ 161:sc= 0.0187 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -2.12! K(o=-2.1!,f=-0.036) USER MOD Single : A 3 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-0.46) USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot -38:sc= 0.24 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -169:sc= -0.0182 (180deg=-0.22) USER MOD Single : A 44 ASN : amide:sc= -2.13! X(o=-2.1!,f=-1.9) USER MOD Single : A 47 THR OG1 : rot 76:sc= 0.832 USER MOD Single : A 52 TYR OH : rot -141:sc= 0.0738 USER MOD Single : A 56 SER OG : rot 47:sc= 0.0448 USER MOD Single : A 65 GLN : amide:sc= -0.0282 X(o=-0.028,f=-0.028) USER MOD Single : A 69 THR OG1 : rot 36:sc= 1.1 USER MOD Single : A 72 SER OG : rot -150:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 170:sc= 0.694 (180deg=0.613) USER MOD Single : A 82 SER OG : rot 93:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.005 -9.472 -4.733 1.00 0.00 N ATOM 2 CA MET A 1 -7.655 -8.871 -4.820 1.00 0.00 C ATOM 3 C MET A 1 -6.680 -9.796 -4.091 1.00 0.00 C ATOM 4 O MET A 1 -7.040 -10.354 -3.059 1.00 0.00 O ATOM 5 CB MET A 1 -7.669 -7.421 -4.230 1.00 0.00 C ATOM 6 CG MET A 1 -6.787 -6.433 -4.996 1.00 0.00 C ATOM 7 SD MET A 1 -7.148 -6.426 -6.778 1.00 0.00 S ATOM 8 CE MET A 1 -8.899 -6.041 -6.835 1.00 0.00 C ATOM 0 H1 MET A 1 -9.722 -8.743 -4.923 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.092 -10.234 -5.435 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.151 -9.861 -3.780 1.00 0.00 H new ATOM 0 HA MET A 1 -7.333 -8.775 -5.857 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.694 -7.051 -4.226 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.339 -7.458 -3.192 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.934 -5.431 -4.594 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.739 -6.689 -4.841 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.114 -5.456 -7.729 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.474 -6.966 -6.859 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.174 -5.466 -5.951 1.00 0.00 H new ATOM 18 N GLN A 2 -5.476 -10.010 -4.649 1.00 0.00 N ATOM 19 CA GLN A 2 -4.489 -10.966 -4.089 1.00 0.00 C ATOM 20 C GLN A 2 -3.430 -10.254 -3.233 1.00 0.00 C ATOM 21 O GLN A 2 -3.042 -10.756 -2.169 1.00 0.00 O ATOM 22 CB GLN A 2 -3.818 -11.833 -5.214 1.00 0.00 C ATOM 23 CG GLN A 2 -3.297 -11.055 -6.458 1.00 0.00 C ATOM 24 CD GLN A 2 -4.293 -10.938 -7.629 1.00 0.00 C ATOM 25 OE1 GLN A 2 -3.887 -10.823 -8.778 1.00 0.00 O ATOM 26 NE2 GLN A 2 -5.588 -10.989 -7.365 1.00 0.00 N ATOM 0 H GLN A 2 -5.156 -9.534 -5.492 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.039 -11.643 -3.435 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.982 -12.378 -4.775 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.541 -12.576 -5.552 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.012 -10.051 -6.144 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.393 -11.545 -6.820 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.909 -11.085 -6.401 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.266 -10.932 -8.125 1.00 0.00 H new ATOM 35 N HIS A 3 -2.986 -9.067 -3.684 1.00 0.00 N ATOM 36 CA HIS A 3 -1.833 -8.367 -3.087 1.00 0.00 C ATOM 37 C HIS A 3 -2.167 -7.673 -1.759 1.00 0.00 C ATOM 38 O HIS A 3 -1.244 -7.269 -1.071 1.00 0.00 O ATOM 39 CB HIS A 3 -1.214 -7.354 -4.080 1.00 0.00 C ATOM 40 CG HIS A 3 -0.477 -7.977 -5.237 1.00 0.00 C ATOM 41 ND1 HIS A 3 0.392 -9.027 -5.087 1.00 0.00 N ATOM 42 CD2 HIS A 3 -0.459 -7.675 -6.554 1.00 0.00 C ATOM 43 CE1 HIS A 3 0.908 -9.339 -6.251 1.00 0.00 C ATOM 44 NE2 HIS A 3 0.410 -8.537 -7.161 1.00 0.00 N ATOM 0 H HIS A 3 -3.412 -8.569 -4.466 1.00 0.00 H new ATOM 0 HA HIS A 3 -1.099 -9.141 -2.865 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.008 -6.719 -4.472 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.527 -6.706 -3.536 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.028 -6.895 -7.038 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.625 -10.127 -6.431 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.634 -8.554 -8.156 1.00 0.00 H new ATOM 53 N LEU A 4 -3.469 -7.567 -1.389 1.00 0.00 N ATOM 54 CA LEU A 4 -3.904 -6.911 -0.121 1.00 0.00 C ATOM 55 C LEU A 4 -3.215 -7.539 1.118 1.00 0.00 C ATOM 56 O LEU A 4 -2.952 -6.850 2.103 1.00 0.00 O ATOM 57 CB LEU A 4 -5.461 -6.967 0.061 1.00 0.00 C ATOM 58 CG LEU A 4 -6.083 -8.308 0.609 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.587 -8.164 0.906 1.00 0.00 C ATOM 60 CD2 LEU A 4 -5.826 -9.506 -0.334 1.00 0.00 C ATOM 0 H LEU A 4 -4.241 -7.928 -1.950 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.600 -5.867 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.750 -6.162 0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.920 -6.753 -0.904 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.572 -8.516 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.976 -9.110 1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.737 -7.387 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.114 -7.892 -0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.275 -10.405 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.270 -9.303 -1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.752 -9.655 -0.448 1.00 0.00 H new ATOM 72 N GLU A 5 -2.925 -8.857 1.030 1.00 0.00 N ATOM 73 CA GLU A 5 -2.344 -9.632 2.131 1.00 0.00 C ATOM 74 C GLU A 5 -0.852 -9.311 2.318 1.00 0.00 C ATOM 75 O GLU A 5 -0.369 -9.183 3.449 1.00 0.00 O ATOM 76 CB GLU A 5 -2.568 -11.149 1.918 1.00 0.00 C ATOM 77 CG GLU A 5 -1.989 -12.027 3.046 1.00 0.00 C ATOM 78 CD GLU A 5 -2.358 -13.510 2.920 1.00 0.00 C ATOM 79 OE1 GLU A 5 -1.609 -14.269 2.267 1.00 0.00 O ATOM 80 OE2 GLU A 5 -3.409 -13.920 3.464 1.00 0.00 O ATOM 0 H GLU A 5 -3.091 -9.407 0.187 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.857 -9.342 3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.638 -11.341 1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.115 -11.444 0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.903 -11.930 3.049 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.345 -11.653 4.006 1.00 0.00 H new ATOM 87 N ALA A 6 -0.131 -9.186 1.197 1.00 0.00 N ATOM 88 CA ALA A 6 1.291 -8.800 1.202 1.00 0.00 C ATOM 89 C ALA A 6 1.465 -7.349 1.677 1.00 0.00 C ATOM 90 O ALA A 6 2.399 -7.040 2.415 1.00 0.00 O ATOM 91 CB ALA A 6 1.907 -8.997 -0.184 1.00 0.00 C ATOM 0 H ALA A 6 -0.511 -9.348 0.265 1.00 0.00 H new ATOM 0 HA ALA A 6 1.816 -9.447 1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.957 -8.707 -0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.827 -10.045 -0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.376 -8.380 -0.909 1.00 0.00 H new ATOM 97 N VAL A 7 0.519 -6.482 1.280 1.00 0.00 N ATOM 98 CA VAL A 7 0.519 -5.067 1.665 1.00 0.00 C ATOM 99 C VAL A 7 0.268 -4.931 3.185 1.00 0.00 C ATOM 100 O VAL A 7 1.011 -4.230 3.868 1.00 0.00 O ATOM 101 CB VAL A 7 -0.553 -4.231 0.866 1.00 0.00 C ATOM 102 CG1 VAL A 7 -0.581 -2.764 1.356 1.00 0.00 C ATOM 103 CG2 VAL A 7 -0.311 -4.279 -0.664 1.00 0.00 C ATOM 0 H VAL A 7 -0.265 -6.745 0.684 1.00 0.00 H new ATOM 0 HA VAL A 7 1.500 -4.663 1.416 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.522 -4.690 1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.328 -2.206 0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.835 -2.739 2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.400 -2.312 1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.074 -3.689 -1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.674 -3.870 -0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.362 -5.312 -1.008 1.00 0.00 H new ATOM 113 N ARG A 8 -0.757 -5.654 3.705 1.00 0.00 N ATOM 114 CA ARG A 8 -1.119 -5.607 5.146 1.00 0.00 C ATOM 115 C ARG A 8 -0.025 -6.262 5.995 1.00 0.00 C ATOM 116 O ARG A 8 0.129 -5.929 7.166 1.00 0.00 O ATOM 117 CB ARG A 8 -2.494 -6.270 5.429 1.00 0.00 C ATOM 118 CG ARG A 8 -2.525 -7.806 5.315 1.00 0.00 C ATOM 119 CD ARG A 8 -3.936 -8.394 5.469 1.00 0.00 C ATOM 120 NE ARG A 8 -3.941 -9.868 5.371 1.00 0.00 N ATOM 121 CZ ARG A 8 -4.907 -10.669 5.849 1.00 0.00 C ATOM 122 NH1 ARG A 8 -5.893 -10.178 6.579 1.00 0.00 N ATOM 123 NH2 ARG A 8 -4.875 -11.971 5.613 1.00 0.00 N ATOM 0 H ARG A 8 -1.346 -6.275 3.150 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.204 -4.556 5.422 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.813 -5.991 6.433 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.227 -5.857 4.736 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.119 -8.101 4.347 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.874 -8.234 6.078 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.349 -8.094 6.432 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.587 -7.978 4.700 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.150 -10.311 4.904 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.927 -9.180 6.785 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.621 -10.797 6.936 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.113 -12.371 5.065 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.612 -12.574 5.979 1.00 0.00 H new ATOM 137 N ASN A 9 0.729 -7.195 5.376 1.00 0.00 N ATOM 138 CA ASN A 9 1.911 -7.819 5.982 1.00 0.00 C ATOM 139 C ASN A 9 2.968 -6.745 6.268 1.00 0.00 C ATOM 140 O ASN A 9 3.462 -6.632 7.391 1.00 0.00 O ATOM 141 CB ASN A 9 2.464 -8.901 5.020 1.00 0.00 C ATOM 142 CG ASN A 9 3.789 -9.544 5.436 1.00 0.00 C ATOM 143 OD1 ASN A 9 4.072 -9.731 6.621 1.00 0.00 O ATOM 144 ND2 ASN A 9 4.613 -9.873 4.451 1.00 0.00 N ATOM 0 H ASN A 9 0.528 -7.535 4.435 1.00 0.00 H new ATOM 0 HA ASN A 9 1.643 -8.295 6.925 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.716 -9.687 4.918 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.592 -8.453 4.034 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.517 -10.297 4.662 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.343 -9.703 3.482 1.00 0.00 H new ATOM 151 N ILE A 10 3.250 -5.941 5.225 1.00 0.00 N ATOM 152 CA ILE A 10 4.202 -4.812 5.268 1.00 0.00 C ATOM 153 C ILE A 10 3.780 -3.763 6.319 1.00 0.00 C ATOM 154 O ILE A 10 4.609 -3.254 7.065 1.00 0.00 O ATOM 155 CB ILE A 10 4.304 -4.133 3.848 1.00 0.00 C ATOM 156 CG1 ILE A 10 4.837 -5.147 2.788 1.00 0.00 C ATOM 157 CG2 ILE A 10 5.177 -2.859 3.878 1.00 0.00 C ATOM 158 CD1 ILE A 10 4.829 -4.641 1.356 1.00 0.00 C ATOM 0 H ILE A 10 2.814 -6.060 4.310 1.00 0.00 H new ATOM 0 HA ILE A 10 5.177 -5.207 5.552 1.00 0.00 H new ATOM 0 HB ILE A 10 3.298 -3.828 3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.857 -5.425 3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.235 -6.054 2.840 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.220 -2.424 2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.743 -2.137 4.570 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.184 -3.116 4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.217 -5.416 0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.809 -4.391 1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.456 -3.752 1.281 1.00 0.00 H new ATOM 170 N LEU A 11 2.480 -3.461 6.363 1.00 0.00 N ATOM 171 CA LEU A 11 1.914 -2.467 7.295 1.00 0.00 C ATOM 172 C LEU A 11 1.979 -2.971 8.747 1.00 0.00 C ATOM 173 O LEU A 11 2.328 -2.228 9.662 1.00 0.00 O ATOM 174 CB LEU A 11 0.460 -2.152 6.881 1.00 0.00 C ATOM 175 CG LEU A 11 0.300 -1.562 5.446 1.00 0.00 C ATOM 176 CD1 LEU A 11 -1.163 -1.617 4.992 1.00 0.00 C ATOM 177 CD2 LEU A 11 0.878 -0.128 5.343 1.00 0.00 C ATOM 0 H LEU A 11 1.785 -3.896 5.756 1.00 0.00 H new ATOM 0 HA LEU A 11 2.505 -1.553 7.244 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.128 -3.067 6.950 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.038 -1.447 7.597 1.00 0.00 H new ATOM 0 HG LEU A 11 0.883 -2.185 4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.249 -1.200 3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.503 -2.653 4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.779 -1.038 5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.746 0.245 4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.355 0.526 6.041 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.940 -0.145 5.588 1.00 0.00 H new ATOM 189 N GLY A 12 1.665 -4.255 8.939 1.00 0.00 N ATOM 190 CA GLY A 12 1.764 -4.891 10.245 1.00 0.00 C ATOM 191 C GLY A 12 3.194 -5.124 10.687 1.00 0.00 C ATOM 192 O GLY A 12 3.447 -5.368 11.868 1.00 0.00 O ATOM 0 H GLY A 12 1.338 -4.874 8.197 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.259 -4.269 10.984 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.238 -5.846 10.218 1.00 0.00 H new ATOM 196 N ASP A 13 4.119 -5.086 9.723 1.00 0.00 N ATOM 197 CA ASP A 13 5.559 -5.208 9.968 1.00 0.00 C ATOM 198 C ASP A 13 6.128 -3.859 10.451 1.00 0.00 C ATOM 199 O ASP A 13 6.723 -3.774 11.527 1.00 0.00 O ATOM 200 CB ASP A 13 6.243 -5.670 8.651 1.00 0.00 C ATOM 201 CG ASP A 13 7.745 -5.943 8.788 1.00 0.00 C ATOM 202 OD1 ASP A 13 8.108 -7.024 9.295 1.00 0.00 O ATOM 203 OD2 ASP A 13 8.565 -5.101 8.371 1.00 0.00 O ATOM 0 H ASP A 13 3.885 -4.968 8.737 1.00 0.00 H new ATOM 0 HA ASP A 13 5.752 -5.944 10.749 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.751 -6.576 8.297 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.092 -4.906 7.888 1.00 0.00 H new ATOM 208 N VAL A 14 5.868 -2.803 9.660 1.00 0.00 N ATOM 209 CA VAL A 14 6.432 -1.457 9.867 1.00 0.00 C ATOM 210 C VAL A 14 5.775 -0.751 11.070 1.00 0.00 C ATOM 211 O VAL A 14 6.473 -0.227 11.938 1.00 0.00 O ATOM 212 CB VAL A 14 6.283 -0.583 8.563 1.00 0.00 C ATOM 213 CG1 VAL A 14 6.695 0.890 8.802 1.00 0.00 C ATOM 214 CG2 VAL A 14 7.091 -1.203 7.398 1.00 0.00 C ATOM 0 H VAL A 14 5.252 -2.861 8.849 1.00 0.00 H new ATOM 0 HA VAL A 14 7.493 -1.573 10.087 1.00 0.00 H new ATOM 0 HB VAL A 14 5.228 -0.579 8.290 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.577 1.455 7.878 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.062 1.324 9.576 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.737 0.929 9.121 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.976 -0.586 6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.145 -1.252 7.672 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.722 -2.208 7.194 1.00 0.00 H new ATOM 224 N LEU A 15 4.427 -0.745 11.112 1.00 0.00 N ATOM 225 CA LEU A 15 3.671 -0.104 12.218 1.00 0.00 C ATOM 226 C LEU A 15 3.540 -1.062 13.421 1.00 0.00 C ATOM 227 O LEU A 15 2.979 -0.685 14.458 1.00 0.00 O ATOM 228 CB LEU A 15 2.266 0.406 11.760 1.00 0.00 C ATOM 229 CG LEU A 15 2.206 1.480 10.608 1.00 0.00 C ATOM 230 CD1 LEU A 15 3.430 2.411 10.619 1.00 0.00 C ATOM 231 CD2 LEU A 15 1.993 0.840 9.221 1.00 0.00 C ATOM 0 H LEU A 15 3.838 -1.174 10.398 1.00 0.00 H new ATOM 0 HA LEU A 15 4.243 0.770 12.529 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.685 -0.459 11.440 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.762 0.823 12.632 1.00 0.00 H new ATOM 0 HG LEU A 15 1.331 2.097 10.811 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.345 3.134 9.808 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.477 2.938 11.572 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.337 1.821 10.485 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.959 1.621 8.461 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.816 0.159 9.004 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.054 0.287 9.216 1.00 0.00 H new ATOM 243 N ASN A 16 4.057 -2.303 13.250 1.00 0.00 N ATOM 244 CA ASN A 16 4.187 -3.315 14.309 1.00 0.00 C ATOM 245 C ASN A 16 2.805 -3.707 14.881 1.00 0.00 C ATOM 246 O ASN A 16 2.558 -3.626 16.088 1.00 0.00 O ATOM 247 CB ASN A 16 5.200 -2.836 15.402 1.00 0.00 C ATOM 248 CG ASN A 16 5.739 -3.945 16.320 1.00 0.00 C ATOM 249 OD1 ASN A 16 5.060 -4.915 16.638 1.00 0.00 O ATOM 250 ND2 ASN A 16 6.984 -3.806 16.733 1.00 0.00 N ATOM 0 H ASN A 16 4.402 -2.629 12.347 1.00 0.00 H new ATOM 0 HA ASN A 16 4.600 -4.228 13.880 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.043 -2.353 14.908 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.715 -2.079 16.018 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.405 -4.516 17.332 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.526 -2.989 16.453 1.00 0.00 H new ATOM 257 N LEU A 17 1.896 -4.098 13.971 1.00 0.00 N ATOM 258 CA LEU A 17 0.584 -4.684 14.333 1.00 0.00 C ATOM 259 C LEU A 17 0.772 -6.142 14.788 1.00 0.00 C ATOM 260 O LEU A 17 -0.029 -6.651 15.577 1.00 0.00 O ATOM 261 CB LEU A 17 -0.425 -4.646 13.138 1.00 0.00 C ATOM 262 CG LEU A 17 -1.073 -3.268 12.779 1.00 0.00 C ATOM 263 CD1 LEU A 17 -0.031 -2.183 12.465 1.00 0.00 C ATOM 264 CD2 LEU A 17 -2.071 -3.423 11.607 1.00 0.00 C ATOM 0 H LEU A 17 2.045 -4.019 12.965 1.00 0.00 H new ATOM 0 HA LEU A 17 0.171 -4.084 15.144 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.090 -5.016 12.252 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.229 -5.349 13.355 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.614 -2.935 13.665 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.539 -1.250 12.223 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.611 -2.033 13.333 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.576 -2.496 11.615 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.511 -2.453 11.373 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.547 -3.805 10.731 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.860 -4.120 11.890 1.00 0.00 H new ATOM 276 N GLY A 18 1.832 -6.792 14.255 1.00 0.00 N ATOM 277 CA GLY A 18 2.135 -8.194 14.533 1.00 0.00 C ATOM 278 C GLY A 18 1.057 -9.134 14.015 1.00 0.00 C ATOM 279 O GLY A 18 1.105 -9.577 12.864 1.00 0.00 O ATOM 0 H GLY A 18 2.496 -6.348 13.620 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.090 -8.454 14.076 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.248 -8.332 15.608 1.00 0.00 H new ATOM 283 N GLU A 19 0.059 -9.389 14.868 1.00 0.00 N ATOM 284 CA GLU A 19 -1.050 -10.317 14.580 1.00 0.00 C ATOM 285 C GLU A 19 -2.265 -9.576 13.979 1.00 0.00 C ATOM 286 O GLU A 19 -3.007 -10.152 13.186 1.00 0.00 O ATOM 287 CB GLU A 19 -1.454 -11.036 15.891 1.00 0.00 C ATOM 288 CG GLU A 19 -1.987 -10.083 16.982 1.00 0.00 C ATOM 289 CD GLU A 19 -2.252 -10.770 18.326 1.00 0.00 C ATOM 290 OE1 GLU A 19 -3.262 -11.494 18.444 1.00 0.00 O ATOM 291 OE2 GLU A 19 -1.452 -10.597 19.272 1.00 0.00 O ATOM 0 H GLU A 19 -0.006 -8.954 15.789 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.716 -11.046 13.842 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.218 -11.780 15.666 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.590 -11.574 16.281 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.268 -9.278 17.131 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.911 -9.624 16.631 1.00 0.00 H new ATOM 298 N ARG A 20 -2.440 -8.282 14.343 1.00 0.00 N ATOM 299 CA ARG A 20 -3.670 -7.505 14.014 1.00 0.00 C ATOM 300 C ARG A 20 -3.799 -7.274 12.493 1.00 0.00 C ATOM 301 O ARG A 20 -4.907 -7.132 11.971 1.00 0.00 O ATOM 302 CB ARG A 20 -3.701 -6.156 14.807 1.00 0.00 C ATOM 303 CG ARG A 20 -5.056 -5.375 14.779 1.00 0.00 C ATOM 304 CD ARG A 20 -5.223 -4.440 13.564 1.00 0.00 C ATOM 305 NE ARG A 20 -6.595 -3.910 13.447 1.00 0.00 N ATOM 306 CZ ARG A 20 -6.922 -2.665 13.082 1.00 0.00 C ATOM 307 NH1 ARG A 20 -5.994 -1.777 12.764 1.00 0.00 N ATOM 308 NH2 ARG A 20 -8.194 -2.313 13.024 1.00 0.00 N ATOM 0 H ARG A 20 -1.745 -7.749 14.866 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.534 -8.093 14.323 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.445 -6.362 15.846 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.921 -5.506 14.410 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.876 -6.093 14.786 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.141 -4.785 15.692 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.522 -3.610 13.649 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.967 -4.982 12.654 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.361 -4.548 13.663 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.008 -2.037 12.794 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.265 -0.833 12.488 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.921 -2.989 13.257 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.449 -1.365 12.746 1.00 0.00 H new ATOM 322 N LYS A 21 -2.662 -7.268 11.786 1.00 0.00 N ATOM 323 CA LYS A 21 -2.637 -7.124 10.315 1.00 0.00 C ATOM 324 C LYS A 21 -3.446 -8.247 9.619 1.00 0.00 C ATOM 325 O LYS A 21 -4.019 -8.036 8.556 1.00 0.00 O ATOM 326 CB LYS A 21 -1.184 -7.100 9.807 1.00 0.00 C ATOM 327 CG LYS A 21 -0.420 -8.408 10.021 1.00 0.00 C ATOM 328 CD LYS A 21 1.039 -8.337 9.557 1.00 0.00 C ATOM 329 CE LYS A 21 1.681 -9.713 9.530 1.00 0.00 C ATOM 330 NZ LYS A 21 3.140 -9.656 9.238 1.00 0.00 N ATOM 0 H LYS A 21 -1.738 -7.362 12.208 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.112 -6.176 10.061 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.188 -6.865 8.743 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.649 -6.294 10.310 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.446 -8.668 11.079 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.927 -9.210 9.484 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.085 -7.893 8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.603 -7.684 10.223 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.525 -10.202 10.492 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.187 -10.326 8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.616 -10.464 9.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.290 -9.695 8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.534 -8.769 9.612 1.00 0.00 H new ATOM 344 N HIS A 22 -3.525 -9.415 10.282 1.00 0.00 N ATOM 345 CA HIS A 22 -4.198 -10.614 9.753 1.00 0.00 C ATOM 346 C HIS A 22 -5.735 -10.507 9.922 1.00 0.00 C ATOM 347 O HIS A 22 -6.489 -11.112 9.152 1.00 0.00 O ATOM 348 CB HIS A 22 -3.629 -11.872 10.470 1.00 0.00 C ATOM 349 CG HIS A 22 -4.062 -13.204 9.898 1.00 0.00 C ATOM 350 ND1 HIS A 22 -3.252 -13.960 9.077 1.00 0.00 N ATOM 351 CD2 HIS A 22 -5.204 -13.920 10.046 1.00 0.00 C ATOM 352 CE1 HIS A 22 -3.873 -15.072 8.747 1.00 0.00 C ATOM 353 NE2 HIS A 22 -5.055 -15.075 9.326 1.00 0.00 N ATOM 0 H HIS A 22 -3.120 -9.554 11.208 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.003 -10.699 8.684 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.540 -11.822 10.443 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.924 -11.834 11.519 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -6.070 -13.633 10.624 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -3.480 -15.850 8.109 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -5.749 -15.819 9.250 1.00 0.00 H new ATOM 362 N THR A 23 -6.194 -9.720 10.918 1.00 0.00 N ATOM 363 CA THR A 23 -7.641 -9.587 11.232 1.00 0.00 C ATOM 364 C THR A 23 -8.281 -8.373 10.510 1.00 0.00 C ATOM 365 O THR A 23 -9.477 -8.110 10.677 1.00 0.00 O ATOM 366 CB THR A 23 -7.904 -9.519 12.786 1.00 0.00 C ATOM 367 OG1 THR A 23 -9.295 -9.758 13.070 1.00 0.00 O ATOM 368 CG2 THR A 23 -7.498 -8.173 13.409 1.00 0.00 C ATOM 0 H THR A 23 -5.587 -9.165 11.521 1.00 0.00 H new ATOM 0 HA THR A 23 -8.123 -10.489 10.855 1.00 0.00 H new ATOM 0 HB THR A 23 -7.281 -10.294 13.231 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.847 -9.335 12.380 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.704 -8.190 14.479 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.433 -8.004 13.247 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.068 -7.370 12.943 1.00 0.00 H new ATOM 376 N LEU A 24 -7.497 -7.637 9.699 1.00 0.00 N ATOM 377 CA LEU A 24 -8.032 -6.540 8.853 1.00 0.00 C ATOM 378 C LEU A 24 -7.989 -6.948 7.373 1.00 0.00 C ATOM 379 O LEU A 24 -7.139 -7.743 6.964 1.00 0.00 O ATOM 380 CB LEU A 24 -7.303 -5.182 9.144 1.00 0.00 C ATOM 381 CG LEU A 24 -5.744 -5.074 8.953 1.00 0.00 C ATOM 382 CD1 LEU A 24 -5.324 -4.964 7.470 1.00 0.00 C ATOM 383 CD2 LEU A 24 -5.175 -3.882 9.759 1.00 0.00 C ATOM 0 H LEU A 24 -6.491 -7.778 9.608 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.078 -6.370 9.109 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.762 -4.424 8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.524 -4.909 10.176 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.322 -6.004 9.335 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.238 -4.893 7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.663 -5.848 6.929 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.774 -4.074 7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.096 -3.826 9.613 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.637 -2.957 9.415 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.391 -4.023 10.818 1.00 0.00 H new ATOM 395 N THR A 25 -8.917 -6.394 6.578 1.00 0.00 N ATOM 396 CA THR A 25 -9.082 -6.735 5.150 1.00 0.00 C ATOM 397 C THR A 25 -8.968 -5.460 4.286 1.00 0.00 C ATOM 398 O THR A 25 -8.603 -4.398 4.797 1.00 0.00 O ATOM 399 CB THR A 25 -10.456 -7.461 4.918 1.00 0.00 C ATOM 400 OG1 THR A 25 -11.538 -6.638 5.401 1.00 0.00 O ATOM 401 CG2 THR A 25 -10.506 -8.847 5.604 1.00 0.00 C ATOM 0 H THR A 25 -9.580 -5.692 6.907 1.00 0.00 H new ATOM 0 HA THR A 25 -8.288 -7.420 4.851 1.00 0.00 H new ATOM 0 HB THR A 25 -10.563 -7.620 3.845 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.391 -7.097 5.251 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.474 -9.311 5.416 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.716 -9.481 5.202 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.363 -8.727 6.678 1.00 0.00 H new ATOM 409 N ALA A 26 -9.265 -5.570 2.974 1.00 0.00 N ATOM 410 CA ALA A 26 -9.106 -4.458 2.003 1.00 0.00 C ATOM 411 C ALA A 26 -10.082 -3.291 2.276 1.00 0.00 C ATOM 412 O ALA A 26 -9.856 -2.165 1.820 1.00 0.00 O ATOM 413 CB ALA A 26 -9.271 -4.977 0.565 1.00 0.00 C ATOM 0 H ALA A 26 -9.621 -6.429 2.555 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.098 -4.063 2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.152 -4.151 -0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.515 -5.736 0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.263 -5.413 0.447 1.00 0.00 H new ATOM 419 N SER A 27 -11.166 -3.582 3.012 1.00 0.00 N ATOM 420 CA SER A 27 -12.151 -2.567 3.437 1.00 0.00 C ATOM 421 C SER A 27 -11.619 -1.701 4.604 1.00 0.00 C ATOM 422 O SER A 27 -12.094 -0.578 4.817 1.00 0.00 O ATOM 423 CB SER A 27 -13.463 -3.268 3.842 1.00 0.00 C ATOM 424 OG SER A 27 -13.954 -4.072 2.782 1.00 0.00 O ATOM 0 H SER A 27 -11.387 -4.525 3.330 1.00 0.00 H new ATOM 0 HA SER A 27 -12.335 -1.896 2.598 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.293 -3.886 4.724 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.210 -2.522 4.114 1.00 0.00 H new ATOM 0 HG SER A 27 -14.786 -4.509 3.061 1.00 0.00 H new ATOM 430 N SER A 28 -10.626 -2.232 5.341 1.00 0.00 N ATOM 431 CA SER A 28 -10.062 -1.585 6.540 1.00 0.00 C ATOM 432 C SER A 28 -9.219 -0.356 6.170 1.00 0.00 C ATOM 433 O SER A 28 -8.419 -0.391 5.226 1.00 0.00 O ATOM 434 CB SER A 28 -9.195 -2.583 7.333 1.00 0.00 C ATOM 435 OG SER A 28 -8.724 -2.021 8.553 1.00 0.00 O ATOM 0 H SER A 28 -10.190 -3.127 5.120 1.00 0.00 H new ATOM 0 HA SER A 28 -10.898 -1.257 7.159 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.776 -3.480 7.547 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.346 -2.891 6.723 1.00 0.00 H new ATOM 0 HG SER A 28 -7.757 -2.163 8.627 1.00 0.00 H new ATOM 441 N VAL A 29 -9.397 0.710 6.957 1.00 0.00 N ATOM 442 CA VAL A 29 -8.707 1.997 6.787 1.00 0.00 C ATOM 443 C VAL A 29 -7.256 1.871 7.313 1.00 0.00 C ATOM 444 O VAL A 29 -6.947 0.934 8.059 1.00 0.00 O ATOM 445 CB VAL A 29 -9.512 3.125 7.565 1.00 0.00 C ATOM 446 CG1 VAL A 29 -8.904 4.536 7.391 1.00 0.00 C ATOM 447 CG2 VAL A 29 -11.006 3.122 7.148 1.00 0.00 C ATOM 0 H VAL A 29 -10.040 0.704 7.749 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.664 2.272 5.733 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.435 2.881 8.624 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.500 5.260 7.947 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.882 4.541 7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.901 4.803 6.334 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.537 3.902 7.693 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.085 3.309 6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.447 2.153 7.380 1.00 0.00 H new ATOM 457 N LEU A 30 -6.362 2.779 6.899 1.00 0.00 N ATOM 458 CA LEU A 30 -4.985 2.856 7.429 1.00 0.00 C ATOM 459 C LEU A 30 -4.787 4.202 8.130 1.00 0.00 C ATOM 460 O LEU A 30 -4.637 4.255 9.354 1.00 0.00 O ATOM 461 CB LEU A 30 -3.943 2.670 6.306 1.00 0.00 C ATOM 462 CG LEU A 30 -4.092 1.394 5.431 1.00 0.00 C ATOM 463 CD1 LEU A 30 -2.964 1.332 4.394 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.153 0.100 6.288 1.00 0.00 C ATOM 0 H LEU A 30 -6.568 3.482 6.189 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.839 2.049 8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.987 3.540 5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.951 2.661 6.758 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.044 1.457 4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.078 0.434 3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.010 2.212 3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.001 1.305 4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.257 -0.765 5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.237 0.006 6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.008 0.150 6.962 1.00 0.00 H new ATOM 476 N LEU A 31 -4.780 5.293 7.333 1.00 0.00 N ATOM 477 CA LEU A 31 -4.721 6.664 7.858 1.00 0.00 C ATOM 478 C LEU A 31 -5.968 6.947 8.723 1.00 0.00 C ATOM 479 O LEU A 31 -7.087 7.065 8.207 1.00 0.00 O ATOM 480 CB LEU A 31 -4.627 7.678 6.686 1.00 0.00 C ATOM 481 CG LEU A 31 -3.315 7.667 5.845 1.00 0.00 C ATOM 482 CD1 LEU A 31 -3.424 8.637 4.663 1.00 0.00 C ATOM 483 CD2 LEU A 31 -2.075 8.004 6.694 1.00 0.00 C ATOM 0 H LEU A 31 -4.815 5.243 6.315 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.833 6.773 8.480 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.463 7.495 6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.760 8.680 7.094 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.188 6.653 5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.498 8.615 4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.255 8.340 4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.596 9.647 5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.186 7.984 6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.190 8.997 7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.970 7.270 7.493 1.00 0.00 H new ATOM 495 N GLY A 32 -5.749 7.046 10.040 1.00 0.00 N ATOM 496 CA GLY A 32 -6.822 7.264 11.012 1.00 0.00 C ATOM 497 C GLY A 32 -7.121 6.016 11.831 1.00 0.00 C ATOM 498 O GLY A 32 -7.477 6.119 13.008 1.00 0.00 O ATOM 0 H GLY A 32 -4.822 6.977 10.460 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.543 8.077 11.682 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.725 7.578 10.489 1.00 0.00 H new ATOM 502 N ASN A 33 -6.988 4.831 11.196 1.00 0.00 N ATOM 503 CA ASN A 33 -7.215 3.528 11.861 1.00 0.00 C ATOM 504 C ASN A 33 -6.001 3.192 12.730 1.00 0.00 C ATOM 505 O ASN A 33 -6.128 2.999 13.939 1.00 0.00 O ATOM 506 CB ASN A 33 -7.437 2.405 10.807 1.00 0.00 C ATOM 507 CG ASN A 33 -7.775 1.004 11.376 1.00 0.00 C ATOM 508 OD1 ASN A 33 -7.559 0.698 12.547 1.00 0.00 O ATOM 509 ND2 ASN A 33 -8.234 0.109 10.514 1.00 0.00 N ATOM 0 H ASN A 33 -6.722 4.750 10.215 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.108 3.596 12.482 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.245 2.711 10.142 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.537 2.322 10.198 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.413 -0.848 10.819 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.409 0.377 9.545 1.00 0.00 H new ATOM 516 N ILE A 34 -4.823 3.137 12.096 1.00 0.00 N ATOM 517 CA ILE A 34 -3.582 2.743 12.757 1.00 0.00 C ATOM 518 C ILE A 34 -3.008 3.960 13.513 1.00 0.00 C ATOM 519 O ILE A 34 -2.642 4.951 12.872 1.00 0.00 O ATOM 520 CB ILE A 34 -2.499 2.206 11.744 1.00 0.00 C ATOM 521 CG1 ILE A 34 -3.125 1.250 10.664 1.00 0.00 C ATOM 522 CG2 ILE A 34 -1.351 1.508 12.518 1.00 0.00 C ATOM 523 CD1 ILE A 34 -3.788 -0.010 11.201 1.00 0.00 C ATOM 0 H ILE A 34 -4.708 3.366 11.109 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.819 1.929 13.443 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.089 3.059 11.203 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.864 1.812 10.093 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.340 0.956 9.967 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.607 1.140 11.811 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.884 2.221 13.198 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.753 0.672 13.090 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.185 -0.594 10.371 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.054 -0.604 11.745 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.601 0.265 11.873 1.00 0.00 H new ATOM 535 N PRO A 35 -2.904 3.906 14.877 1.00 0.00 N ATOM 536 CA PRO A 35 -2.357 5.025 15.677 1.00 0.00 C ATOM 537 C PRO A 35 -0.818 5.089 15.605 1.00 0.00 C ATOM 538 O PRO A 35 -0.203 6.048 16.080 1.00 0.00 O ATOM 539 CB PRO A 35 -2.860 4.702 17.104 1.00 0.00 C ATOM 540 CG PRO A 35 -2.919 3.204 17.149 1.00 0.00 C ATOM 541 CD PRO A 35 -3.292 2.756 15.746 1.00 0.00 C ATOM 0 HA PRO A 35 -2.679 6.004 15.322 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.183 5.096 17.862 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.839 5.144 17.290 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.959 2.785 17.450 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.657 2.864 17.876 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.760 1.847 15.464 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.357 2.540 15.667 1.00 0.00 H new ATOM 549 N GLU A 36 -0.209 4.055 14.992 1.00 0.00 N ATOM 550 CA GLU A 36 1.251 3.922 14.858 1.00 0.00 C ATOM 551 C GLU A 36 1.718 4.438 13.492 1.00 0.00 C ATOM 552 O GLU A 36 2.925 4.544 13.245 1.00 0.00 O ATOM 553 CB GLU A 36 1.652 2.434 15.048 1.00 0.00 C ATOM 554 CG GLU A 36 1.074 1.765 16.314 1.00 0.00 C ATOM 555 CD GLU A 36 1.531 2.425 17.628 1.00 0.00 C ATOM 556 OE1 GLU A 36 0.910 3.416 18.069 1.00 0.00 O ATOM 557 OE2 GLU A 36 2.521 1.962 18.225 1.00 0.00 O ATOM 0 H GLU A 36 -0.725 3.281 14.572 1.00 0.00 H new ATOM 0 HA GLU A 36 1.737 4.524 15.626 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.325 1.870 14.174 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.739 2.367 15.083 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.014 1.792 16.264 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.366 0.715 16.325 1.00 0.00 H new ATOM 564 N LEU A 37 0.747 4.776 12.618 1.00 0.00 N ATOM 565 CA LEU A 37 1.027 5.288 11.276 1.00 0.00 C ATOM 566 C LEU A 37 1.332 6.793 11.381 1.00 0.00 C ATOM 567 O LEU A 37 0.459 7.643 11.211 1.00 0.00 O ATOM 568 CB LEU A 37 -0.158 4.953 10.325 1.00 0.00 C ATOM 569 CG LEU A 37 0.026 5.284 8.808 1.00 0.00 C ATOM 570 CD1 LEU A 37 1.330 4.674 8.241 1.00 0.00 C ATOM 571 CD2 LEU A 37 -1.204 4.799 8.005 1.00 0.00 C ATOM 0 H LEU A 37 -0.248 4.699 12.830 1.00 0.00 H new ATOM 0 HA LEU A 37 1.904 4.809 10.841 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.372 3.888 10.415 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.039 5.486 10.682 1.00 0.00 H new ATOM 0 HG LEU A 37 0.108 6.366 8.708 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.421 4.927 7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.186 5.075 8.785 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.304 3.590 8.354 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.066 5.034 6.950 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.315 3.721 8.125 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.100 5.299 8.374 1.00 0.00 H new ATOM 583 N ASP A 38 2.580 7.077 11.761 1.00 0.00 N ATOM 584 CA ASP A 38 3.127 8.429 11.954 1.00 0.00 C ATOM 585 C ASP A 38 3.563 9.038 10.601 1.00 0.00 C ATOM 586 O ASP A 38 3.555 8.359 9.573 1.00 0.00 O ATOM 587 CB ASP A 38 4.339 8.293 12.946 1.00 0.00 C ATOM 588 CG ASP A 38 5.121 9.594 13.237 1.00 0.00 C ATOM 589 OD1 ASP A 38 4.683 10.382 14.095 1.00 0.00 O ATOM 590 OD2 ASP A 38 6.178 9.833 12.609 1.00 0.00 O ATOM 0 H ASP A 38 3.266 6.346 11.951 1.00 0.00 H new ATOM 0 HA ASP A 38 2.377 9.103 12.367 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.968 7.896 13.891 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.034 7.557 12.542 1.00 0.00 H new ATOM 595 N SER A 39 3.908 10.327 10.640 1.00 0.00 N ATOM 596 CA SER A 39 4.545 11.090 9.552 1.00 0.00 C ATOM 597 C SER A 39 5.705 10.295 8.863 1.00 0.00 C ATOM 598 O SER A 39 5.599 9.850 7.702 1.00 0.00 O ATOM 599 CB SER A 39 5.062 12.407 10.196 1.00 0.00 C ATOM 600 OG SER A 39 5.719 13.249 9.263 1.00 0.00 O ATOM 0 H SER A 39 3.745 10.899 11.469 1.00 0.00 H new ATOM 0 HA SER A 39 3.828 11.289 8.755 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.223 12.945 10.637 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.748 12.165 11.008 1.00 0.00 H new ATOM 0 HG SER A 39 6.024 14.063 9.715 1.00 0.00 H new ATOM 605 N MET A 40 6.788 10.053 9.612 1.00 0.00 N ATOM 606 CA MET A 40 7.956 9.317 9.083 1.00 0.00 C ATOM 607 C MET A 40 7.642 7.824 8.872 1.00 0.00 C ATOM 608 O MET A 40 8.386 7.121 8.184 1.00 0.00 O ATOM 609 CB MET A 40 9.182 9.496 10.001 1.00 0.00 C ATOM 610 CG MET A 40 9.681 10.943 10.084 1.00 0.00 C ATOM 611 SD MET A 40 10.111 11.638 8.469 1.00 0.00 S ATOM 612 CE MET A 40 11.438 10.554 7.929 1.00 0.00 C ATOM 0 H MET A 40 6.885 10.352 10.582 1.00 0.00 H new ATOM 0 HA MET A 40 8.194 9.742 8.108 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.929 9.150 11.003 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.991 8.862 9.640 1.00 0.00 H new ATOM 0 HG2 MET A 40 8.911 11.561 10.546 1.00 0.00 H new ATOM 0 HG3 MET A 40 10.555 10.983 10.735 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.922 10.981 7.050 1.00 0.00 H new ATOM 0 HE2 MET A 40 12.170 10.448 8.730 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.029 9.575 7.679 1.00 0.00 H new ATOM 622 N ALA A 41 6.533 7.357 9.470 1.00 0.00 N ATOM 623 CA ALA A 41 6.037 5.987 9.278 1.00 0.00 C ATOM 624 C ALA A 41 5.318 5.809 7.927 1.00 0.00 C ATOM 625 O ALA A 41 5.262 4.682 7.426 1.00 0.00 O ATOM 626 CB ALA A 41 5.141 5.570 10.438 1.00 0.00 C ATOM 0 H ALA A 41 5.958 7.918 10.098 1.00 0.00 H new ATOM 0 HA ALA A 41 6.906 5.329 9.260 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.785 4.553 10.275 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.707 5.612 11.368 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.289 6.247 10.501 1.00 0.00 H new ATOM 632 N VAL A 42 4.753 6.903 7.331 1.00 0.00 N ATOM 633 CA VAL A 42 4.237 6.841 5.936 1.00 0.00 C ATOM 634 C VAL A 42 5.427 6.710 4.975 1.00 0.00 C ATOM 635 O VAL A 42 5.372 5.966 3.996 1.00 0.00 O ATOM 636 CB VAL A 42 3.295 8.046 5.489 1.00 0.00 C ATOM 637 CG1 VAL A 42 2.195 8.308 6.540 1.00 0.00 C ATOM 638 CG2 VAL A 42 4.064 9.355 5.119 1.00 0.00 C ATOM 0 H VAL A 42 4.647 7.811 7.783 1.00 0.00 H new ATOM 0 HA VAL A 42 3.586 5.967 5.899 1.00 0.00 H new ATOM 0 HB VAL A 42 2.821 7.725 4.562 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.566 9.135 6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.584 7.413 6.658 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.657 8.561 7.494 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.351 10.125 4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.635 9.698 5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.744 9.156 4.290 1.00 0.00 H new ATOM 648 N VAL A 43 6.519 7.420 5.309 1.00 0.00 N ATOM 649 CA VAL A 43 7.787 7.324 4.543 1.00 0.00 C ATOM 650 C VAL A 43 8.365 5.897 4.625 1.00 0.00 C ATOM 651 O VAL A 43 8.815 5.326 3.624 1.00 0.00 O ATOM 652 CB VAL A 43 8.836 8.360 5.070 1.00 0.00 C ATOM 653 CG1 VAL A 43 10.122 8.385 4.209 1.00 0.00 C ATOM 654 CG2 VAL A 43 8.184 9.748 5.171 1.00 0.00 C ATOM 0 H VAL A 43 6.555 8.065 6.099 1.00 0.00 H new ATOM 0 HA VAL A 43 7.567 7.553 3.500 1.00 0.00 H new ATOM 0 HB VAL A 43 9.153 8.050 6.066 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.818 9.119 4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.587 7.399 4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.868 8.654 3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.916 10.468 5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.833 10.057 4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.341 9.705 5.860 1.00 0.00 H new ATOM 664 N ASN A 44 8.300 5.343 5.837 1.00 0.00 N ATOM 665 CA ASN A 44 8.863 4.026 6.171 1.00 0.00 C ATOM 666 C ASN A 44 8.105 2.863 5.481 1.00 0.00 C ATOM 667 O ASN A 44 8.731 1.884 5.047 1.00 0.00 O ATOM 668 CB ASN A 44 8.870 3.864 7.714 1.00 0.00 C ATOM 669 CG ASN A 44 9.785 2.745 8.228 1.00 0.00 C ATOM 670 OD1 ASN A 44 10.750 2.354 7.572 1.00 0.00 O ATOM 671 ND2 ASN A 44 9.504 2.238 9.417 1.00 0.00 N ATOM 0 H ASN A 44 7.849 5.801 6.629 1.00 0.00 H new ATOM 0 HA ASN A 44 9.884 3.978 5.792 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.180 4.807 8.165 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.852 3.669 8.052 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.093 1.505 9.811 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.698 2.580 9.940 1.00 0.00 H new ATOM 678 N VAL A 45 6.759 2.976 5.373 1.00 0.00 N ATOM 679 CA VAL A 45 5.933 1.959 4.680 1.00 0.00 C ATOM 680 C VAL A 45 6.137 2.038 3.162 1.00 0.00 C ATOM 681 O VAL A 45 6.143 1.004 2.506 1.00 0.00 O ATOM 682 CB VAL A 45 4.388 2.035 5.013 1.00 0.00 C ATOM 683 CG1 VAL A 45 4.110 1.694 6.485 1.00 0.00 C ATOM 684 CG2 VAL A 45 3.782 3.399 4.645 1.00 0.00 C ATOM 0 H VAL A 45 6.225 3.757 5.755 1.00 0.00 H new ATOM 0 HA VAL A 45 6.282 0.999 5.061 1.00 0.00 H new ATOM 0 HB VAL A 45 3.899 1.283 4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.039 1.756 6.677 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.458 0.683 6.696 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.636 2.400 7.128 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.720 3.404 4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.288 4.185 5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.907 3.577 3.577 1.00 0.00 H new ATOM 694 N ILE A 46 6.324 3.267 2.615 1.00 0.00 N ATOM 695 CA ILE A 46 6.623 3.454 1.170 1.00 0.00 C ATOM 696 C ILE A 46 7.930 2.723 0.809 1.00 0.00 C ATOM 697 O ILE A 46 7.964 1.933 -0.138 1.00 0.00 O ATOM 698 CB ILE A 46 6.711 4.981 0.772 1.00 0.00 C ATOM 699 CG1 ILE A 46 5.311 5.650 0.930 1.00 0.00 C ATOM 700 CG2 ILE A 46 7.261 5.183 -0.671 1.00 0.00 C ATOM 701 CD1 ILE A 46 5.280 7.150 0.738 1.00 0.00 C ATOM 0 H ILE A 46 6.274 4.136 3.147 1.00 0.00 H new ATOM 0 HA ILE A 46 5.798 3.025 0.601 1.00 0.00 H new ATOM 0 HB ILE A 46 7.418 5.461 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.628 5.195 0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.928 5.421 1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.303 6.248 -0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.262 4.757 -0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.604 4.685 -1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.261 7.513 0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.931 7.624 1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.626 7.396 -0.266 1.00 0.00 H new ATOM 713 N THR A 47 8.968 2.962 1.641 1.00 0.00 N ATOM 714 CA THR A 47 10.297 2.328 1.508 1.00 0.00 C ATOM 715 C THR A 47 10.174 0.791 1.537 1.00 0.00 C ATOM 716 O THR A 47 10.768 0.083 0.715 1.00 0.00 O ATOM 717 CB THR A 47 11.250 2.787 2.660 1.00 0.00 C ATOM 718 OG1 THR A 47 11.288 4.214 2.705 1.00 0.00 O ATOM 719 CG2 THR A 47 12.687 2.244 2.502 1.00 0.00 C ATOM 0 H THR A 47 8.906 3.606 2.430 1.00 0.00 H new ATOM 0 HA THR A 47 10.715 2.639 0.551 1.00 0.00 H new ATOM 0 HB THR A 47 10.850 2.380 3.589 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.462 4.551 3.111 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.302 2.596 3.330 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.666 1.154 2.503 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.108 2.598 1.561 1.00 0.00 H new ATOM 727 N ALA A 48 9.367 0.309 2.493 1.00 0.00 N ATOM 728 CA ALA A 48 9.088 -1.118 2.682 1.00 0.00 C ATOM 729 C ALA A 48 8.386 -1.733 1.445 1.00 0.00 C ATOM 730 O ALA A 48 8.749 -2.826 1.020 1.00 0.00 O ATOM 731 CB ALA A 48 8.261 -1.310 3.956 1.00 0.00 C ATOM 0 H ALA A 48 8.885 0.908 3.163 1.00 0.00 H new ATOM 0 HA ALA A 48 10.033 -1.649 2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.053 -2.370 4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.819 -0.932 4.813 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.322 -0.765 3.866 1.00 0.00 H new ATOM 737 N LEU A 49 7.413 -0.999 0.852 1.00 0.00 N ATOM 738 CA LEU A 49 6.711 -1.427 -0.391 1.00 0.00 C ATOM 739 C LEU A 49 7.743 -1.678 -1.520 1.00 0.00 C ATOM 740 O LEU A 49 7.701 -2.730 -2.191 1.00 0.00 O ATOM 741 CB LEU A 49 5.619 -0.371 -0.832 1.00 0.00 C ATOM 742 CG LEU A 49 4.132 -0.654 -0.412 1.00 0.00 C ATOM 743 CD1 LEU A 49 3.623 -1.966 -1.032 1.00 0.00 C ATOM 744 CD2 LEU A 49 3.943 -0.655 1.117 1.00 0.00 C ATOM 0 H LEU A 49 7.092 -0.101 1.215 1.00 0.00 H new ATOM 0 HA LEU A 49 6.186 -2.360 -0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.905 0.599 -0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.652 -0.285 -1.918 1.00 0.00 H new ATOM 0 HG LEU A 49 3.531 0.167 -0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.591 -2.137 -0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.672 -1.898 -2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.245 -2.794 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.898 -0.855 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.570 -1.428 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.227 0.318 1.519 1.00 0.00 H new ATOM 756 N GLU A 50 8.687 -0.707 -1.672 1.00 0.00 N ATOM 757 CA GLU A 50 9.817 -0.782 -2.634 1.00 0.00 C ATOM 758 C GLU A 50 10.579 -2.112 -2.465 1.00 0.00 C ATOM 759 O GLU A 50 10.811 -2.841 -3.436 1.00 0.00 O ATOM 760 CB GLU A 50 10.831 0.390 -2.419 1.00 0.00 C ATOM 761 CG GLU A 50 10.238 1.802 -2.293 1.00 0.00 C ATOM 762 CD GLU A 50 9.580 2.319 -3.565 1.00 0.00 C ATOM 763 OE1 GLU A 50 8.373 2.099 -3.761 1.00 0.00 O ATOM 764 OE2 GLU A 50 10.276 2.973 -4.369 1.00 0.00 O ATOM 0 H GLU A 50 8.682 0.154 -1.125 1.00 0.00 H new ATOM 0 HA GLU A 50 9.390 -0.712 -3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.406 0.181 -1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.533 0.389 -3.252 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.501 1.804 -1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.030 2.492 -2.001 1.00 0.00 H new ATOM 771 N GLU A 51 10.941 -2.405 -1.195 1.00 0.00 N ATOM 772 CA GLU A 51 11.737 -3.593 -0.819 1.00 0.00 C ATOM 773 C GLU A 51 11.029 -4.907 -1.219 1.00 0.00 C ATOM 774 O GLU A 51 11.509 -5.639 -2.088 1.00 0.00 O ATOM 775 CB GLU A 51 12.019 -3.603 0.716 1.00 0.00 C ATOM 776 CG GLU A 51 12.728 -2.351 1.264 1.00 0.00 C ATOM 777 CD GLU A 51 14.092 -2.080 0.614 1.00 0.00 C ATOM 778 OE1 GLU A 51 15.094 -2.708 1.015 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.175 -1.238 -0.304 1.00 0.00 O ATOM 0 H GLU A 51 10.687 -1.820 -0.399 1.00 0.00 H new ATOM 0 HA GLU A 51 12.680 -3.531 -1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.072 -3.723 1.242 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.627 -4.477 0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.085 -1.484 1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.864 -2.463 2.340 1.00 0.00 H new ATOM 786 N TYR A 52 9.859 -5.151 -0.603 1.00 0.00 N ATOM 787 CA TYR A 52 9.153 -6.444 -0.688 1.00 0.00 C ATOM 788 C TYR A 52 8.669 -6.764 -2.118 1.00 0.00 C ATOM 789 O TYR A 52 8.881 -7.886 -2.601 1.00 0.00 O ATOM 790 CB TYR A 52 7.983 -6.491 0.333 1.00 0.00 C ATOM 791 CG TYR A 52 8.443 -6.485 1.812 1.00 0.00 C ATOM 792 CD1 TYR A 52 8.932 -7.640 2.426 1.00 0.00 C ATOM 793 CD2 TYR A 52 8.388 -5.326 2.593 1.00 0.00 C ATOM 794 CE1 TYR A 52 9.346 -7.630 3.749 1.00 0.00 C ATOM 795 CE2 TYR A 52 8.800 -5.313 3.911 1.00 0.00 C ATOM 796 CZ TYR A 52 9.274 -6.465 4.485 1.00 0.00 C ATOM 797 OH TYR A 52 9.680 -6.455 5.803 1.00 0.00 O ATOM 0 H TYR A 52 9.375 -4.458 -0.032 1.00 0.00 H new ATOM 0 HA TYR A 52 9.870 -7.223 -0.430 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.329 -5.636 0.162 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.390 -7.387 0.150 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.989 -8.558 1.860 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.012 -4.414 2.152 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.725 -8.534 4.203 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.749 -4.401 4.487 1.00 0.00 H new ATOM 0 HH TYR A 52 9.073 -5.892 6.328 1.00 0.00 H new ATOM 807 N PHE A 53 8.048 -5.781 -2.805 1.00 0.00 N ATOM 808 CA PHE A 53 7.524 -5.987 -4.182 1.00 0.00 C ATOM 809 C PHE A 53 8.597 -5.706 -5.268 1.00 0.00 C ATOM 810 O PHE A 53 8.329 -5.926 -6.458 1.00 0.00 O ATOM 811 CB PHE A 53 6.269 -5.117 -4.436 1.00 0.00 C ATOM 812 CG PHE A 53 4.979 -5.591 -3.760 1.00 0.00 C ATOM 813 CD1 PHE A 53 4.108 -6.464 -4.420 1.00 0.00 C ATOM 814 CD2 PHE A 53 4.620 -5.146 -2.488 1.00 0.00 C ATOM 815 CE1 PHE A 53 2.931 -6.878 -3.828 1.00 0.00 C ATOM 816 CE2 PHE A 53 3.438 -5.567 -1.898 1.00 0.00 C ATOM 817 CZ PHE A 53 2.593 -6.427 -2.570 1.00 0.00 C ATOM 0 H PHE A 53 7.896 -4.842 -2.436 1.00 0.00 H new ATOM 0 HA PHE A 53 7.246 -7.038 -4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.480 -4.102 -4.100 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.096 -5.068 -5.511 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.360 -6.820 -5.408 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.270 -4.466 -1.957 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.274 -7.557 -4.352 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.177 -5.221 -0.909 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.669 -6.746 -2.111 1.00 0.00 H new ATOM 827 N ASP A 54 9.776 -5.172 -4.861 1.00 0.00 N ATOM 828 CA ASP A 54 10.967 -5.014 -5.744 1.00 0.00 C ATOM 829 C ASP A 54 10.682 -4.003 -6.890 1.00 0.00 C ATOM 830 O ASP A 54 11.172 -4.140 -8.016 1.00 0.00 O ATOM 831 CB ASP A 54 11.446 -6.410 -6.285 1.00 0.00 C ATOM 832 CG ASP A 54 12.828 -6.380 -6.980 1.00 0.00 C ATOM 833 OD1 ASP A 54 13.837 -6.130 -6.296 1.00 0.00 O ATOM 834 OD2 ASP A 54 12.913 -6.601 -8.210 1.00 0.00 O ATOM 0 H ASP A 54 9.931 -4.837 -3.910 1.00 0.00 H new ATOM 0 HA ASP A 54 11.784 -4.599 -5.154 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.484 -7.115 -5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.705 -6.788 -6.990 1.00 0.00 H new ATOM 839 N PHE A 55 9.910 -2.953 -6.568 1.00 0.00 N ATOM 840 CA PHE A 55 9.472 -1.931 -7.548 1.00 0.00 C ATOM 841 C PHE A 55 9.665 -0.523 -6.965 1.00 0.00 C ATOM 842 O PHE A 55 10.210 -0.373 -5.870 1.00 0.00 O ATOM 843 CB PHE A 55 7.977 -2.170 -7.948 1.00 0.00 C ATOM 844 CG PHE A 55 6.912 -1.705 -6.930 1.00 0.00 C ATOM 845 CD1 PHE A 55 7.015 -2.001 -5.573 1.00 0.00 C ATOM 846 CD2 PHE A 55 5.801 -0.975 -7.352 1.00 0.00 C ATOM 847 CE1 PHE A 55 6.046 -1.587 -4.678 1.00 0.00 C ATOM 848 CE2 PHE A 55 4.838 -0.564 -6.451 1.00 0.00 C ATOM 849 CZ PHE A 55 4.961 -0.872 -5.117 1.00 0.00 C ATOM 0 H PHE A 55 9.569 -2.783 -5.622 1.00 0.00 H new ATOM 0 HA PHE A 55 10.083 -2.016 -8.447 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.791 -1.661 -8.894 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.837 -3.236 -8.126 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.865 -2.563 -5.214 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.692 -0.728 -8.398 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.144 -1.827 -3.630 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.985 0.002 -6.796 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.205 -0.552 -4.416 1.00 0.00 H new ATOM 859 N SER A 56 9.222 0.494 -7.712 1.00 0.00 N ATOM 860 CA SER A 56 9.109 1.863 -7.212 1.00 0.00 C ATOM 861 C SER A 56 7.660 2.346 -7.380 1.00 0.00 C ATOM 862 O SER A 56 7.034 2.072 -8.409 1.00 0.00 O ATOM 863 CB SER A 56 10.094 2.798 -7.953 1.00 0.00 C ATOM 864 OG SER A 56 10.107 4.096 -7.373 1.00 0.00 O ATOM 0 H SER A 56 8.931 0.387 -8.684 1.00 0.00 H new ATOM 0 HA SER A 56 9.370 1.883 -6.154 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.097 2.373 -7.921 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.811 2.869 -9.003 1.00 0.00 H new ATOM 0 HG SER A 56 10.173 4.018 -6.398 1.00 0.00 H new ATOM 870 N VAL A 57 7.118 2.998 -6.339 1.00 0.00 N ATOM 871 CA VAL A 57 5.824 3.706 -6.410 1.00 0.00 C ATOM 872 C VAL A 57 6.100 5.122 -6.970 1.00 0.00 C ATOM 873 O VAL A 57 6.950 5.845 -6.433 1.00 0.00 O ATOM 874 CB VAL A 57 5.119 3.802 -4.991 1.00 0.00 C ATOM 875 CG1 VAL A 57 3.705 4.421 -5.103 1.00 0.00 C ATOM 876 CG2 VAL A 57 5.053 2.429 -4.279 1.00 0.00 C ATOM 0 H VAL A 57 7.563 3.051 -5.423 1.00 0.00 H new ATOM 0 HA VAL A 57 5.143 3.153 -7.057 1.00 0.00 H new ATOM 0 HB VAL A 57 5.736 4.462 -4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.251 4.472 -4.113 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.779 5.425 -5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.088 3.802 -5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.563 2.544 -3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.487 1.728 -4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.063 2.047 -4.131 1.00 0.00 H new ATOM 886 N ASP A 58 5.407 5.498 -8.055 1.00 0.00 N ATOM 887 CA ASP A 58 5.656 6.771 -8.776 1.00 0.00 C ATOM 888 C ASP A 58 5.087 7.981 -7.986 1.00 0.00 C ATOM 889 O ASP A 58 4.128 7.834 -7.236 1.00 0.00 O ATOM 890 CB ASP A 58 5.037 6.682 -10.199 1.00 0.00 C ATOM 891 CG ASP A 58 5.329 7.919 -11.060 1.00 0.00 C ATOM 892 OD1 ASP A 58 6.462 8.047 -11.557 1.00 0.00 O ATOM 893 OD2 ASP A 58 4.439 8.778 -11.220 1.00 0.00 O ATOM 0 H ASP A 58 4.659 4.936 -8.462 1.00 0.00 H new ATOM 0 HA ASP A 58 6.731 6.928 -8.867 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.424 5.796 -10.703 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.958 6.553 -10.112 1.00 0.00 H new ATOM 898 N ASP A 59 5.706 9.162 -8.158 1.00 0.00 N ATOM 899 CA ASP A 59 5.303 10.425 -7.491 1.00 0.00 C ATOM 900 C ASP A 59 3.808 10.773 -7.699 1.00 0.00 C ATOM 901 O ASP A 59 3.121 11.192 -6.757 1.00 0.00 O ATOM 902 CB ASP A 59 6.203 11.578 -8.014 1.00 0.00 C ATOM 903 CG ASP A 59 5.849 12.953 -7.418 1.00 0.00 C ATOM 904 OD1 ASP A 59 6.196 13.201 -6.243 1.00 0.00 O ATOM 905 OD2 ASP A 59 5.198 13.770 -8.108 1.00 0.00 O ATOM 0 H ASP A 59 6.513 9.274 -8.772 1.00 0.00 H new ATOM 0 HA ASP A 59 5.436 10.290 -6.418 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.244 11.349 -7.785 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.120 11.629 -9.100 1.00 0.00 H new ATOM 910 N ASP A 60 3.323 10.570 -8.932 1.00 0.00 N ATOM 911 CA ASP A 60 1.936 10.908 -9.341 1.00 0.00 C ATOM 912 C ASP A 60 0.889 10.009 -8.637 1.00 0.00 C ATOM 913 O ASP A 60 -0.291 10.358 -8.565 1.00 0.00 O ATOM 914 CB ASP A 60 1.821 10.790 -10.884 1.00 0.00 C ATOM 915 CG ASP A 60 0.463 11.236 -11.455 1.00 0.00 C ATOM 916 OD1 ASP A 60 0.216 12.457 -11.545 1.00 0.00 O ATOM 917 OD2 ASP A 60 -0.367 10.372 -11.817 1.00 0.00 O ATOM 0 H ASP A 60 3.879 10.164 -9.685 1.00 0.00 H new ATOM 0 HA ASP A 60 1.723 11.932 -9.035 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.608 11.389 -11.342 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.000 9.754 -11.172 1.00 0.00 H new ATOM 922 N GLU A 61 1.339 8.867 -8.091 1.00 0.00 N ATOM 923 CA GLU A 61 0.471 7.907 -7.371 1.00 0.00 C ATOM 924 C GLU A 61 0.862 7.801 -5.878 1.00 0.00 C ATOM 925 O GLU A 61 0.352 6.931 -5.173 1.00 0.00 O ATOM 926 CB GLU A 61 0.527 6.522 -8.057 1.00 0.00 C ATOM 927 CG GLU A 61 1.924 5.907 -8.121 1.00 0.00 C ATOM 928 CD GLU A 61 1.958 4.543 -8.798 1.00 0.00 C ATOM 929 OE1 GLU A 61 1.830 4.496 -10.043 1.00 0.00 O ATOM 930 OE2 GLU A 61 2.134 3.522 -8.103 1.00 0.00 O ATOM 0 H GLU A 61 2.316 8.579 -8.134 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.554 8.277 -7.412 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.134 5.839 -7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.137 6.616 -9.071 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.587 6.586 -8.657 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.317 5.811 -7.109 1.00 0.00 H new ATOM 937 N ILE A 62 1.777 8.674 -5.408 1.00 0.00 N ATOM 938 CA ILE A 62 2.095 8.810 -3.969 1.00 0.00 C ATOM 939 C ILE A 62 1.325 10.007 -3.390 1.00 0.00 C ATOM 940 O ILE A 62 1.653 11.162 -3.679 1.00 0.00 O ATOM 941 CB ILE A 62 3.645 8.975 -3.700 1.00 0.00 C ATOM 942 CG1 ILE A 62 4.410 7.667 -4.057 1.00 0.00 C ATOM 943 CG2 ILE A 62 3.940 9.383 -2.235 1.00 0.00 C ATOM 944 CD1 ILE A 62 5.885 7.645 -3.706 1.00 0.00 C ATOM 0 H ILE A 62 2.313 9.300 -6.009 1.00 0.00 H new ATOM 0 HA ILE A 62 1.788 7.889 -3.474 1.00 0.00 H new ATOM 0 HB ILE A 62 3.997 9.780 -4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.923 6.834 -3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.309 7.491 -5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.016 9.485 -2.095 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.454 10.334 -2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.558 8.617 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.315 6.687 -3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.397 8.449 -4.234 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.005 7.783 -2.631 1.00 0.00 H new ATOM 956 N SER A 63 0.275 9.717 -2.621 1.00 0.00 N ATOM 957 CA SER A 63 -0.466 10.720 -1.842 1.00 0.00 C ATOM 958 C SER A 63 -0.968 10.088 -0.538 1.00 0.00 C ATOM 959 O SER A 63 -0.839 8.872 -0.339 1.00 0.00 O ATOM 960 CB SER A 63 -1.657 11.248 -2.674 1.00 0.00 C ATOM 961 OG SER A 63 -2.531 10.193 -3.045 1.00 0.00 O ATOM 0 H SER A 63 -0.092 8.771 -2.518 1.00 0.00 H new ATOM 0 HA SER A 63 0.192 11.554 -1.601 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.206 11.992 -2.097 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.286 11.748 -3.569 1.00 0.00 H new ATOM 0 HG SER A 63 -2.031 9.351 -3.082 1.00 0.00 H new ATOM 967 N ALA A 64 -1.542 10.917 0.344 1.00 0.00 N ATOM 968 CA ALA A 64 -2.274 10.423 1.523 1.00 0.00 C ATOM 969 C ALA A 64 -3.543 9.664 1.068 1.00 0.00 C ATOM 970 O ALA A 64 -3.953 8.685 1.694 1.00 0.00 O ATOM 971 CB ALA A 64 -2.613 11.586 2.472 1.00 0.00 C ATOM 0 H ALA A 64 -1.515 11.934 0.265 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.644 9.727 2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.154 11.203 3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.692 12.066 2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.234 12.313 1.949 1.00 0.00 H new ATOM 977 N GLN A 65 -4.109 10.088 -0.079 1.00 0.00 N ATOM 978 CA GLN A 65 -5.283 9.428 -0.695 1.00 0.00 C ATOM 979 C GLN A 65 -4.945 7.997 -1.164 1.00 0.00 C ATOM 980 O GLN A 65 -5.839 7.175 -1.335 1.00 0.00 O ATOM 981 CB GLN A 65 -5.820 10.274 -1.880 1.00 0.00 C ATOM 982 CG GLN A 65 -6.141 11.739 -1.524 1.00 0.00 C ATOM 983 CD GLN A 65 -7.120 11.888 -0.351 1.00 0.00 C ATOM 984 OE1 GLN A 65 -8.335 11.908 -0.544 1.00 0.00 O ATOM 985 NE2 GLN A 65 -6.591 12.009 0.863 1.00 0.00 N ATOM 0 H GLN A 65 -3.769 10.894 -0.604 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.060 9.354 0.066 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.083 10.261 -2.683 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.722 9.801 -2.268 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.213 12.256 -1.279 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.560 12.233 -2.401 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.578 11.988 0.982 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.198 12.123 1.675 1.00 0.00 H new ATOM 994 N THR A 66 -3.647 7.717 -1.368 1.00 0.00 N ATOM 995 CA THR A 66 -3.156 6.374 -1.714 1.00 0.00 C ATOM 996 C THR A 66 -3.239 5.444 -0.480 1.00 0.00 C ATOM 997 O THR A 66 -3.635 4.286 -0.596 1.00 0.00 O ATOM 998 CB THR A 66 -1.684 6.456 -2.242 1.00 0.00 C ATOM 999 OG1 THR A 66 -1.626 7.397 -3.327 1.00 0.00 O ATOM 1000 CG2 THR A 66 -1.120 5.093 -2.704 1.00 0.00 C ATOM 0 H THR A 66 -2.908 8.417 -1.297 1.00 0.00 H new ATOM 0 HA THR A 66 -3.783 5.960 -2.504 1.00 0.00 H new ATOM 0 HB THR A 66 -1.062 6.781 -1.408 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.958 7.102 -3.981 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.097 5.223 -3.057 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.129 4.393 -1.868 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.736 4.700 -3.513 1.00 0.00 H new ATOM 1008 N PHE A 67 -2.892 5.991 0.707 1.00 0.00 N ATOM 1009 CA PHE A 67 -2.793 5.216 1.975 1.00 0.00 C ATOM 1010 C PHE A 67 -4.055 5.325 2.847 1.00 0.00 C ATOM 1011 O PHE A 67 -4.013 5.010 4.045 1.00 0.00 O ATOM 1012 CB PHE A 67 -1.529 5.658 2.760 1.00 0.00 C ATOM 1013 CG PHE A 67 -0.229 5.215 2.082 1.00 0.00 C ATOM 1014 CD1 PHE A 67 0.283 5.905 0.985 1.00 0.00 C ATOM 1015 CD2 PHE A 67 0.455 4.081 2.521 1.00 0.00 C ATOM 1016 CE1 PHE A 67 1.433 5.479 0.349 1.00 0.00 C ATOM 1017 CE2 PHE A 67 1.602 3.652 1.877 1.00 0.00 C ATOM 1018 CZ PHE A 67 2.091 4.352 0.797 1.00 0.00 C ATOM 0 H PHE A 67 -2.672 6.981 0.818 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.705 4.163 1.709 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.530 6.743 2.861 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.568 5.244 3.767 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.227 6.787 0.626 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.085 3.531 3.374 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.817 6.028 -0.498 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.115 2.766 2.222 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.990 4.019 0.300 1.00 0.00 H new ATOM 1028 N GLU A 68 -5.174 5.743 2.241 1.00 0.00 N ATOM 1029 CA GLU A 68 -6.462 5.872 2.948 1.00 0.00 C ATOM 1030 C GLU A 68 -6.974 4.500 3.458 1.00 0.00 C ATOM 1031 O GLU A 68 -7.388 4.381 4.610 1.00 0.00 O ATOM 1032 CB GLU A 68 -7.520 6.552 2.045 1.00 0.00 C ATOM 1033 CG GLU A 68 -7.815 5.813 0.730 1.00 0.00 C ATOM 1034 CD GLU A 68 -9.011 6.387 -0.033 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -8.850 7.397 -0.749 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -10.124 5.834 0.084 1.00 0.00 O ATOM 0 H GLU A 68 -5.216 6.000 1.255 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.295 6.505 3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.449 6.649 2.607 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.182 7.561 1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.932 5.855 0.092 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.002 4.761 0.947 1.00 0.00 H new ATOM 1043 N THR A 69 -6.929 3.471 2.592 1.00 0.00 N ATOM 1044 CA THR A 69 -7.426 2.119 2.912 1.00 0.00 C ATOM 1045 C THR A 69 -6.559 1.049 2.226 1.00 0.00 C ATOM 1046 O THR A 69 -5.933 1.316 1.181 1.00 0.00 O ATOM 1047 CB THR A 69 -8.938 1.955 2.495 1.00 0.00 C ATOM 1048 OG1 THR A 69 -9.424 0.647 2.839 1.00 0.00 O ATOM 1049 CG2 THR A 69 -9.175 2.191 0.993 1.00 0.00 C ATOM 0 H THR A 69 -6.547 3.553 1.650 1.00 0.00 H new ATOM 0 HA THR A 69 -7.358 1.983 3.991 1.00 0.00 H new ATOM 0 HB THR A 69 -9.484 2.719 3.048 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.021 0.361 3.685 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.234 2.064 0.767 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.867 3.203 0.731 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.592 1.473 0.416 1.00 0.00 H new ATOM 1057 N LEU A 70 -6.553 -0.167 2.818 1.00 0.00 N ATOM 1058 CA LEU A 70 -5.761 -1.314 2.328 1.00 0.00 C ATOM 1059 C LEU A 70 -6.120 -1.660 0.865 1.00 0.00 C ATOM 1060 O LEU A 70 -5.260 -2.102 0.092 1.00 0.00 O ATOM 1061 CB LEU A 70 -5.986 -2.552 3.244 1.00 0.00 C ATOM 1062 CG LEU A 70 -5.126 -3.816 2.900 1.00 0.00 C ATOM 1063 CD1 LEU A 70 -3.631 -3.529 3.088 1.00 0.00 C ATOM 1064 CD2 LEU A 70 -5.560 -5.057 3.713 1.00 0.00 C ATOM 0 H LEU A 70 -7.100 -0.379 3.652 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.708 -1.034 2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.777 -2.262 4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.039 -2.828 3.198 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.302 -4.047 1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.056 -4.422 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.332 -2.713 2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.442 -3.248 4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.935 -5.907 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.448 -4.852 4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.603 -5.288 3.495 1.00 0.00 H new ATOM 1076 N GLY A 71 -7.405 -1.438 0.516 1.00 0.00 N ATOM 1077 CA GLY A 71 -7.913 -1.660 -0.838 1.00 0.00 C ATOM 1078 C GLY A 71 -7.209 -0.811 -1.881 1.00 0.00 C ATOM 1079 O GLY A 71 -6.867 -1.307 -2.957 1.00 0.00 O ATOM 0 H GLY A 71 -8.112 -1.101 1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.797 -2.713 -1.096 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.981 -1.442 -0.860 1.00 0.00 H new ATOM 1083 N SER A 72 -6.958 0.468 -1.537 1.00 0.00 N ATOM 1084 CA SER A 72 -6.264 1.413 -2.425 1.00 0.00 C ATOM 1085 C SER A 72 -4.850 0.899 -2.753 1.00 0.00 C ATOM 1086 O SER A 72 -4.514 0.740 -3.932 1.00 0.00 O ATOM 1087 CB SER A 72 -6.202 2.819 -1.786 1.00 0.00 C ATOM 1088 OG SER A 72 -7.500 3.308 -1.497 1.00 0.00 O ATOM 0 H SER A 72 -7.230 0.870 -0.640 1.00 0.00 H new ATOM 0 HA SER A 72 -6.827 1.490 -3.355 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.613 2.779 -0.870 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.694 3.507 -2.462 1.00 0.00 H new ATOM 0 HG SER A 72 -7.502 4.286 -1.557 1.00 0.00 H new ATOM 1094 N LEU A 73 -4.062 0.573 -1.698 1.00 0.00 N ATOM 1095 CA LEU A 73 -2.660 0.100 -1.861 1.00 0.00 C ATOM 1096 C LEU A 73 -2.612 -1.201 -2.663 1.00 0.00 C ATOM 1097 O LEU A 73 -1.712 -1.389 -3.487 1.00 0.00 O ATOM 1098 CB LEU A 73 -1.950 -0.147 -0.504 1.00 0.00 C ATOM 1099 CG LEU A 73 -1.614 1.091 0.370 1.00 0.00 C ATOM 1100 CD1 LEU A 73 -0.815 2.141 -0.424 1.00 0.00 C ATOM 1101 CD2 LEU A 73 -2.877 1.681 0.998 1.00 0.00 C ATOM 0 H LEU A 73 -4.370 0.628 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.139 0.897 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.578 -0.814 0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.020 -0.679 -0.704 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.973 0.760 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.597 2.994 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.119 1.700 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.401 2.473 -1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.611 2.547 1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.566 1.987 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.355 0.930 1.627 1.00 0.00 H new ATOM 1113 N ALA A 74 -3.588 -2.088 -2.385 1.00 0.00 N ATOM 1114 CA ALA A 74 -3.727 -3.374 -3.070 1.00 0.00 C ATOM 1115 C ALA A 74 -3.855 -3.152 -4.578 1.00 0.00 C ATOM 1116 O ALA A 74 -3.087 -3.720 -5.338 1.00 0.00 O ATOM 1117 CB ALA A 74 -4.924 -4.160 -2.519 1.00 0.00 C ATOM 0 H ALA A 74 -4.302 -1.925 -1.675 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.833 -3.969 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.007 -5.112 -3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.780 -4.344 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.837 -3.583 -2.667 1.00 0.00 H new ATOM 1123 N LEU A 75 -4.765 -2.240 -4.977 1.00 0.00 N ATOM 1124 CA LEU A 75 -5.039 -1.942 -6.402 1.00 0.00 C ATOM 1125 C LEU A 75 -3.824 -1.290 -7.092 1.00 0.00 C ATOM 1126 O LEU A 75 -3.524 -1.625 -8.243 1.00 0.00 O ATOM 1127 CB LEU A 75 -6.325 -1.063 -6.575 1.00 0.00 C ATOM 1128 CG LEU A 75 -7.667 -1.843 -6.763 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -7.614 -2.736 -8.023 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -8.030 -2.666 -5.512 1.00 0.00 C ATOM 0 H LEU A 75 -5.328 -1.692 -4.327 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.225 -2.896 -6.895 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.421 -0.419 -5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.183 -0.411 -7.437 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.457 -1.105 -6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.559 -3.268 -8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.444 -2.115 -8.902 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.801 -3.456 -7.925 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.969 -3.193 -5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.240 -3.389 -5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.139 -1.999 -4.657 1.00 0.00 H new ATOM 1142 N PHE A 76 -3.118 -0.382 -6.384 1.00 0.00 N ATOM 1143 CA PHE A 76 -1.910 0.269 -6.930 1.00 0.00 C ATOM 1144 C PHE A 76 -0.844 -0.791 -7.274 1.00 0.00 C ATOM 1145 O PHE A 76 -0.431 -0.889 -8.428 1.00 0.00 O ATOM 1146 CB PHE A 76 -1.349 1.361 -5.967 1.00 0.00 C ATOM 1147 CG PHE A 76 -2.088 2.697 -6.073 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -1.863 3.545 -7.161 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -3.003 3.106 -5.107 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -2.534 4.749 -7.276 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -3.671 4.312 -5.222 1.00 0.00 C ATOM 1152 CZ PHE A 76 -3.434 5.136 -6.306 1.00 0.00 C ATOM 0 H PHE A 76 -3.363 -0.085 -5.439 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.190 0.784 -7.849 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.413 0.999 -4.941 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.293 1.519 -6.184 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.155 3.256 -7.923 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.194 2.472 -4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.352 5.388 -8.128 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.379 4.610 -4.463 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.952 6.080 -6.393 1.00 0.00 H new ATOM 1162 N VAL A 77 -0.479 -1.638 -6.288 1.00 0.00 N ATOM 1163 CA VAL A 77 0.545 -2.692 -6.473 1.00 0.00 C ATOM 1164 C VAL A 77 0.068 -3.792 -7.459 1.00 0.00 C ATOM 1165 O VAL A 77 0.899 -4.454 -8.087 1.00 0.00 O ATOM 1166 CB VAL A 77 1.031 -3.312 -5.108 1.00 0.00 C ATOM 1167 CG1 VAL A 77 1.625 -2.221 -4.186 1.00 0.00 C ATOM 1168 CG2 VAL A 77 -0.093 -4.077 -4.397 1.00 0.00 C ATOM 0 H VAL A 77 -0.880 -1.613 -5.350 1.00 0.00 H new ATOM 0 HA VAL A 77 1.411 -2.202 -6.919 1.00 0.00 H new ATOM 0 HB VAL A 77 1.817 -4.030 -5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.953 -2.674 -3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.476 -1.751 -4.680 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.865 -1.468 -3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.283 -4.489 -3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.920 -3.398 -4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.442 -4.888 -5.036 1.00 0.00 H new ATOM 1178 N GLU A 78 -1.271 -3.997 -7.590 1.00 0.00 N ATOM 1179 CA GLU A 78 -1.832 -4.873 -8.649 1.00 0.00 C ATOM 1180 C GLU A 78 -1.372 -4.366 -10.019 1.00 0.00 C ATOM 1181 O GLU A 78 -0.798 -5.116 -10.804 1.00 0.00 O ATOM 1182 CB GLU A 78 -3.390 -4.915 -8.632 1.00 0.00 C ATOM 1183 CG GLU A 78 -4.034 -5.659 -7.447 1.00 0.00 C ATOM 1184 CD GLU A 78 -3.787 -7.177 -7.381 1.00 0.00 C ATOM 1185 OE1 GLU A 78 -3.506 -7.808 -8.426 1.00 0.00 O ATOM 1186 OE2 GLU A 78 -3.908 -7.752 -6.271 1.00 0.00 O ATOM 0 H GLU A 78 -1.972 -3.572 -6.983 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.469 -5.883 -8.457 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.761 -3.890 -8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.731 -5.381 -9.556 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.668 -5.212 -6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.110 -5.488 -7.480 1.00 0.00 H new ATOM 1193 N HIS A 79 -1.596 -3.059 -10.251 1.00 0.00 N ATOM 1194 CA HIS A 79 -1.310 -2.407 -11.538 1.00 0.00 C ATOM 1195 C HIS A 79 0.195 -2.454 -11.862 1.00 0.00 C ATOM 1196 O HIS A 79 0.585 -2.888 -12.942 1.00 0.00 O ATOM 1197 CB HIS A 79 -1.799 -0.937 -11.523 1.00 0.00 C ATOM 1198 CG HIS A 79 -3.266 -0.753 -11.236 1.00 0.00 C ATOM 1199 ND1 HIS A 79 -3.804 0.470 -10.911 1.00 0.00 N ATOM 1200 CD2 HIS A 79 -4.307 -1.632 -11.220 1.00 0.00 C ATOM 1201 CE1 HIS A 79 -5.098 0.343 -10.711 1.00 0.00 C ATOM 1202 NE2 HIS A 79 -5.430 -0.920 -10.896 1.00 0.00 N ATOM 0 H HIS A 79 -1.981 -2.427 -9.549 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.847 -2.953 -12.313 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.227 -0.388 -10.775 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.575 -0.486 -12.490 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.256 -2.691 -11.425 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.775 1.140 -10.441 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.371 -1.304 -10.811 1.00 0.00 H new ATOM 1211 N LYS A 80 1.020 -2.055 -10.881 1.00 0.00 N ATOM 1212 CA LYS A 80 2.475 -1.873 -11.055 1.00 0.00 C ATOM 1213 C LYS A 80 3.172 -3.174 -11.469 1.00 0.00 C ATOM 1214 O LYS A 80 3.836 -3.233 -12.508 1.00 0.00 O ATOM 1215 CB LYS A 80 3.114 -1.333 -9.744 1.00 0.00 C ATOM 1216 CG LYS A 80 2.481 -0.035 -9.210 1.00 0.00 C ATOM 1217 CD LYS A 80 2.478 1.110 -10.240 1.00 0.00 C ATOM 1218 CE LYS A 80 3.884 1.629 -10.580 1.00 0.00 C ATOM 1219 NZ LYS A 80 3.825 2.824 -11.463 1.00 0.00 N ATOM 0 H LYS A 80 0.696 -1.847 -9.936 1.00 0.00 H new ATOM 0 HA LYS A 80 2.614 -1.148 -11.857 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.038 -2.102 -8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.176 -1.159 -9.918 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.456 -0.239 -8.901 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.024 0.287 -8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.995 0.765 -11.154 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.878 1.934 -9.854 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.412 1.881 -9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.455 0.841 -11.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.771 3.249 -11.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.499 2.541 -12.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.163 3.519 -11.062 1.00 0.00 H new ATOM 1233 N LEU A 81 2.969 -4.219 -10.657 1.00 0.00 N ATOM 1234 CA LEU A 81 3.619 -5.528 -10.845 1.00 0.00 C ATOM 1235 C LEU A 81 3.028 -6.298 -12.054 1.00 0.00 C ATOM 1236 O LEU A 81 3.626 -7.272 -12.516 1.00 0.00 O ATOM 1237 CB LEU A 81 3.552 -6.375 -9.532 1.00 0.00 C ATOM 1238 CG LEU A 81 4.458 -5.911 -8.323 1.00 0.00 C ATOM 1239 CD1 LEU A 81 5.927 -5.726 -8.744 1.00 0.00 C ATOM 1240 CD2 LEU A 81 3.922 -4.644 -7.620 1.00 0.00 C ATOM 0 H LEU A 81 2.348 -4.183 -9.848 1.00 0.00 H new ATOM 0 HA LEU A 81 4.669 -5.346 -11.072 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.517 -6.388 -9.192 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.820 -7.402 -9.779 1.00 0.00 H new ATOM 0 HG LEU A 81 4.415 -6.720 -7.593 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.515 -5.407 -7.883 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.319 -6.671 -9.121 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.989 -4.969 -9.526 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.586 -4.375 -6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.878 -3.822 -8.335 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.923 -4.840 -7.229 1.00 0.00 H new ATOM 1252 N SER A 82 1.861 -5.853 -12.565 1.00 0.00 N ATOM 1253 CA SER A 82 1.254 -6.413 -13.794 1.00 0.00 C ATOM 1254 C SER A 82 1.747 -5.669 -15.058 1.00 0.00 C ATOM 1255 O SER A 82 1.781 -6.255 -16.146 1.00 0.00 O ATOM 1256 CB SER A 82 -0.283 -6.359 -13.707 1.00 0.00 C ATOM 1257 OG SER A 82 -0.767 -7.168 -12.641 1.00 0.00 O ATOM 0 H SER A 82 1.316 -5.102 -12.143 1.00 0.00 H new ATOM 0 HA SER A 82 1.567 -7.454 -13.875 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.606 -5.328 -13.560 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.715 -6.697 -14.649 1.00 0.00 H new ATOM 0 HG SER A 82 -0.862 -6.622 -11.833 1.00 0.00 H new