USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=17 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 69 THR OG1 : rot 180:sc= 0.969 USER MOD Set 1.2: A 72 SER OG : rot 69:sc= 1.13 USER MOD Set 2.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 27 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 9 ASN : amide:sc= 1.04 K(o=2.3,f=-9!) USER MOD Set 3.2: A 21 LYS NZ :NH3+ 147:sc= 1.27 (180deg=0) USER MOD Single : A 1 MET CE :methyl -141:sc= -1.01 (180deg=-4.71!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.128 F(o=-1.2,f=-0.13) USER MOD Single : A 3 HIS : no HD1:sc= -0.665 X(o=-0.67,f=-0.26) USER MOD Single : A 16 ASN : amide:sc= 0.0116 X(o=0.012,f=0) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot -35:sc= 0.463 USER MOD Single : A 28 SER OG : rot 34:sc= 0.539 USER MOD Single : A 33 ASN : amide:sc= -0.496 X(o=-0.5,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 47 THR OG1 : rot 81:sc= 0.667 USER MOD Single : A 52 TYR OH : rot -136:sc= 0.23 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.138 USER MOD Single : A 65 GLN : amide:sc= -0.0291 X(o=-0.029,f=-0.029) USER MOD Single : A 66 THR OG1 : rot -69:sc= 1.01 USER MOD Single : A 79 HIS : no HE2:sc= -0.113 X(o=-0.11,f=-0.12) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0.597 (180deg=0.597) USER MOD Single : A 82 SER OG : rot 96:sc= 0.82 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.460 -8.808 -3.880 1.00 0.00 N ATOM 2 CA MET A 1 -7.259 -8.108 -4.382 1.00 0.00 C ATOM 3 C MET A 1 -6.036 -8.736 -3.700 1.00 0.00 C ATOM 4 O MET A 1 -5.713 -8.349 -2.587 1.00 0.00 O ATOM 5 CB MET A 1 -7.352 -6.565 -4.094 1.00 0.00 C ATOM 6 CG MET A 1 -6.956 -5.682 -5.276 1.00 0.00 C ATOM 7 SD MET A 1 -8.172 -5.779 -6.612 1.00 0.00 S ATOM 8 CE MET A 1 -7.386 -4.842 -7.919 1.00 0.00 C ATOM 0 H1 MET A 1 -9.309 -8.404 -4.325 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.395 -9.819 -4.113 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.522 -8.694 -2.848 1.00 0.00 H new ATOM 0 HA MET A 1 -7.175 -8.218 -5.463 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.373 -6.323 -3.800 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.711 -6.326 -3.246 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.861 -4.648 -4.944 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.979 -5.988 -5.649 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.135 -4.248 -8.442 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.633 -4.181 -7.490 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.910 -5.526 -8.622 1.00 0.00 H new ATOM 18 N GLN A 2 -5.369 -9.689 -4.386 1.00 0.00 N ATOM 19 CA GLN A 2 -4.399 -10.630 -3.771 1.00 0.00 C ATOM 20 C GLN A 2 -3.266 -9.928 -3.000 1.00 0.00 C ATOM 21 O GLN A 2 -2.853 -10.398 -1.934 1.00 0.00 O ATOM 22 CB GLN A 2 -3.787 -11.581 -4.841 1.00 0.00 C ATOM 23 CG GLN A 2 -3.006 -10.878 -5.989 1.00 0.00 C ATOM 24 CD GLN A 2 -1.840 -11.694 -6.563 1.00 0.00 C ATOM 25 OE1 GLN A 2 -1.128 -12.418 -5.708 1.00 0.00 O flip ATOM 26 NE2 GLN A 2 -1.543 -11.615 -7.754 1.00 0.00 N flip ATOM 0 H GLN A 2 -5.487 -9.831 -5.389 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.973 -11.208 -3.046 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -3.115 -12.278 -4.341 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.591 -12.172 -5.280 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.702 -10.647 -6.795 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.620 -9.928 -5.619 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.111 -11.050 -8.385 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.728 -12.115 -8.111 1.00 0.00 H new ATOM 35 N HIS A 3 -2.803 -8.776 -3.525 1.00 0.00 N ATOM 36 CA HIS A 3 -1.642 -8.061 -2.991 1.00 0.00 C ATOM 37 C HIS A 3 -1.950 -7.353 -1.666 1.00 0.00 C ATOM 38 O HIS A 3 -1.018 -6.890 -1.023 1.00 0.00 O ATOM 39 CB HIS A 3 -1.072 -7.051 -4.021 1.00 0.00 C ATOM 40 CG HIS A 3 -0.302 -7.664 -5.163 1.00 0.00 C ATOM 41 ND1 HIS A 3 0.432 -8.820 -5.043 1.00 0.00 N ATOM 42 CD2 HIS A 3 -0.126 -7.252 -6.442 1.00 0.00 C ATOM 43 CE1 HIS A 3 1.013 -9.095 -6.193 1.00 0.00 C ATOM 44 NE2 HIS A 3 0.692 -8.156 -7.059 1.00 0.00 N ATOM 0 H HIS A 3 -3.229 -8.320 -4.332 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.883 -8.818 -2.791 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.898 -6.470 -4.431 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.420 -6.352 -3.498 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -0.555 -6.369 -6.892 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.646 -9.947 -6.392 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.003 -8.111 -8.030 1.00 0.00 H new ATOM 53 N LEU A 4 -3.246 -7.299 -1.257 1.00 0.00 N ATOM 54 CA LEU A 4 -3.659 -6.759 0.065 1.00 0.00 C ATOM 55 C LEU A 4 -2.902 -7.485 1.196 1.00 0.00 C ATOM 56 O LEU A 4 -2.581 -6.889 2.216 1.00 0.00 O ATOM 57 CB LEU A 4 -5.220 -6.868 0.299 1.00 0.00 C ATOM 58 CG LEU A 4 -5.788 -8.123 1.093 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.240 -7.881 1.562 1.00 0.00 C ATOM 60 CD2 LEU A 4 -5.704 -9.447 0.284 1.00 0.00 C ATOM 0 H LEU A 4 -4.026 -7.625 -1.828 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.403 -5.699 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.538 -5.970 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.703 -6.849 -0.678 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.144 -8.237 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.599 -8.757 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.270 -7.013 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.877 -7.702 0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.107 -10.265 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.282 -9.349 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.663 -9.657 0.037 1.00 0.00 H new ATOM 72 N GLU A 5 -2.614 -8.783 0.944 1.00 0.00 N ATOM 73 CA GLU A 5 -1.972 -9.689 1.892 1.00 0.00 C ATOM 74 C GLU A 5 -0.514 -9.282 2.160 1.00 0.00 C ATOM 75 O GLU A 5 -0.111 -9.125 3.315 1.00 0.00 O ATOM 76 CB GLU A 5 -2.055 -11.141 1.363 1.00 0.00 C ATOM 77 CG GLU A 5 -1.373 -12.189 2.261 1.00 0.00 C ATOM 78 CD GLU A 5 -1.567 -13.618 1.754 1.00 0.00 C ATOM 79 OE1 GLU A 5 -0.804 -14.055 0.876 1.00 0.00 O ATOM 80 OE2 GLU A 5 -2.511 -14.303 2.211 1.00 0.00 O ATOM 0 H GLU A 5 -2.831 -9.228 0.052 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.502 -9.627 2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.104 -11.411 1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.601 -11.180 0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.307 -11.971 2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.772 -12.110 3.272 1.00 0.00 H new ATOM 87 N ALA A 6 0.263 -9.103 1.083 1.00 0.00 N ATOM 88 CA ALA A 6 1.685 -8.736 1.189 1.00 0.00 C ATOM 89 C ALA A 6 1.849 -7.302 1.708 1.00 0.00 C ATOM 90 O ALA A 6 2.763 -7.030 2.485 1.00 0.00 O ATOM 91 CB ALA A 6 2.399 -8.931 -0.150 1.00 0.00 C ATOM 0 H ALA A 6 -0.069 -9.207 0.124 1.00 0.00 H new ATOM 0 HA ALA A 6 2.152 -9.401 1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.448 -8.653 -0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.328 -9.976 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.930 -8.303 -0.907 1.00 0.00 H new ATOM 97 N VAL A 7 0.919 -6.405 1.316 1.00 0.00 N ATOM 98 CA VAL A 7 0.930 -5.007 1.765 1.00 0.00 C ATOM 99 C VAL A 7 0.660 -4.928 3.289 1.00 0.00 C ATOM 100 O VAL A 7 1.394 -4.257 4.003 1.00 0.00 O ATOM 101 CB VAL A 7 -0.116 -4.106 0.998 1.00 0.00 C ATOM 102 CG1 VAL A 7 -0.121 -2.670 1.582 1.00 0.00 C ATOM 103 CG2 VAL A 7 0.151 -4.067 -0.530 1.00 0.00 C ATOM 0 H VAL A 7 0.149 -6.632 0.686 1.00 0.00 H new ATOM 0 HA VAL A 7 1.923 -4.618 1.539 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.098 -4.556 1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.847 -2.061 1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.391 -2.707 2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.871 -2.231 1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.594 -3.435 -1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 7 1.146 -3.662 -0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.089 -5.077 -0.936 1.00 0.00 H new ATOM 113 N ARG A 8 -0.376 -5.656 3.772 1.00 0.00 N ATOM 114 CA ARG A 8 -0.770 -5.638 5.208 1.00 0.00 C ATOM 115 C ARG A 8 0.288 -6.341 6.061 1.00 0.00 C ATOM 116 O ARG A 8 0.460 -6.020 7.240 1.00 0.00 O ATOM 117 CB ARG A 8 -2.159 -6.283 5.432 1.00 0.00 C ATOM 118 CG ARG A 8 -2.223 -7.807 5.191 1.00 0.00 C ATOM 119 CD ARG A 8 -3.654 -8.348 5.229 1.00 0.00 C ATOM 120 NE ARG A 8 -3.726 -9.800 5.008 1.00 0.00 N ATOM 121 CZ ARG A 8 -4.854 -10.464 4.717 1.00 0.00 C ATOM 122 NH1 ARG A 8 -6.004 -9.818 4.551 1.00 0.00 N ATOM 123 NH2 ARG A 8 -4.826 -11.776 4.600 1.00 0.00 N ATOM 0 H ARG A 8 -0.955 -6.263 3.192 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.839 -4.595 5.516 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.476 -6.080 6.455 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.878 -5.797 4.773 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.777 -8.037 4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.625 -8.316 5.947 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.101 -8.111 6.195 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.249 -7.841 4.469 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.862 -10.337 5.081 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.037 -8.803 4.645 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.853 -10.338 4.330 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.950 -12.281 4.731 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.681 -12.287 4.379 1.00 0.00 H new ATOM 137 N ASN A 9 1.004 -7.288 5.426 1.00 0.00 N ATOM 138 CA ASN A 9 2.155 -7.968 6.019 1.00 0.00 C ATOM 139 C ASN A 9 3.251 -6.931 6.332 1.00 0.00 C ATOM 140 O ASN A 9 3.793 -6.907 7.438 1.00 0.00 O ATOM 141 CB ASN A 9 2.665 -9.050 5.034 1.00 0.00 C ATOM 142 CG ASN A 9 3.902 -9.823 5.488 1.00 0.00 C ATOM 143 OD1 ASN A 9 4.110 -10.076 6.673 1.00 0.00 O ATOM 144 ND2 ASN A 9 4.752 -10.176 4.538 1.00 0.00 N ATOM 0 H ASN A 9 0.792 -7.600 4.478 1.00 0.00 H new ATOM 0 HA ASN A 9 1.873 -8.457 6.951 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.859 -9.762 4.854 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.887 -8.572 4.080 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.609 -10.673 4.780 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.550 -9.951 3.564 1.00 0.00 H new ATOM 151 N ILE A 10 3.496 -6.045 5.344 1.00 0.00 N ATOM 152 CA ILE A 10 4.459 -4.924 5.440 1.00 0.00 C ATOM 153 C ILE A 10 4.034 -3.904 6.516 1.00 0.00 C ATOM 154 O ILE A 10 4.853 -3.485 7.322 1.00 0.00 O ATOM 155 CB ILE A 10 4.607 -4.191 4.047 1.00 0.00 C ATOM 156 CG1 ILE A 10 5.181 -5.163 2.974 1.00 0.00 C ATOM 157 CG2 ILE A 10 5.465 -2.906 4.149 1.00 0.00 C ATOM 158 CD1 ILE A 10 5.233 -4.603 1.565 1.00 0.00 C ATOM 0 H ILE A 10 3.023 -6.088 4.441 1.00 0.00 H new ATOM 0 HA ILE A 10 5.421 -5.349 5.727 1.00 0.00 H new ATOM 0 HB ILE A 10 3.609 -3.881 3.737 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.189 -5.454 3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.577 -6.070 2.966 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.538 -2.438 3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.999 -2.212 4.848 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.463 -3.162 4.504 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.647 -5.353 0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.226 -4.339 1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.863 -3.714 1.550 1.00 0.00 H new ATOM 170 N LEU A 11 2.747 -3.522 6.513 1.00 0.00 N ATOM 171 CA LEU A 11 2.193 -2.516 7.453 1.00 0.00 C ATOM 172 C LEU A 11 2.329 -2.989 8.906 1.00 0.00 C ATOM 173 O LEU A 11 2.709 -2.223 9.797 1.00 0.00 O ATOM 174 CB LEU A 11 0.700 -2.254 7.124 1.00 0.00 C ATOM 175 CG LEU A 11 0.399 -1.707 5.695 1.00 0.00 C ATOM 176 CD1 LEU A 11 -1.104 -1.804 5.380 1.00 0.00 C ATOM 177 CD2 LEU A 11 0.923 -0.262 5.511 1.00 0.00 C ATOM 0 H LEU A 11 2.057 -3.897 5.863 1.00 0.00 H new ATOM 0 HA LEU A 11 2.759 -1.592 7.338 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.150 -3.186 7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.307 -1.545 7.853 1.00 0.00 H new ATOM 0 HG LEU A 11 0.935 -2.333 4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.292 -1.417 4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.420 -2.846 5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.667 -1.218 6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.694 0.083 4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.443 0.394 6.237 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.002 -0.244 5.664 1.00 0.00 H new ATOM 189 N GLY A 12 2.023 -4.274 9.120 1.00 0.00 N ATOM 190 CA GLY A 12 2.162 -4.891 10.424 1.00 0.00 C ATOM 191 C GLY A 12 3.595 -5.228 10.770 1.00 0.00 C ATOM 192 O GLY A 12 3.906 -5.440 11.926 1.00 0.00 O ATOM 0 H GLY A 12 1.676 -4.902 8.395 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.760 -4.219 11.182 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.563 -5.801 10.455 1.00 0.00 H new ATOM 196 N ASP A 13 4.464 -5.302 9.755 1.00 0.00 N ATOM 197 CA ASP A 13 5.911 -5.518 9.944 1.00 0.00 C ATOM 198 C ASP A 13 6.580 -4.228 10.448 1.00 0.00 C ATOM 199 O ASP A 13 7.421 -4.259 11.345 1.00 0.00 O ATOM 200 CB ASP A 13 6.538 -5.962 8.600 1.00 0.00 C ATOM 201 CG ASP A 13 8.045 -6.241 8.657 1.00 0.00 C ATOM 202 OD1 ASP A 13 8.431 -7.396 8.941 1.00 0.00 O ATOM 203 OD2 ASP A 13 8.847 -5.318 8.396 1.00 0.00 O ATOM 0 H ASP A 13 4.188 -5.214 8.777 1.00 0.00 H new ATOM 0 HA ASP A 13 6.068 -6.297 10.690 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.028 -6.862 8.257 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.354 -5.188 7.855 1.00 0.00 H new ATOM 208 N VAL A 14 6.174 -3.094 9.857 1.00 0.00 N ATOM 209 CA VAL A 14 6.804 -1.788 10.096 1.00 0.00 C ATOM 210 C VAL A 14 6.251 -1.126 11.374 1.00 0.00 C ATOM 211 O VAL A 14 7.023 -0.624 12.197 1.00 0.00 O ATOM 212 CB VAL A 14 6.618 -0.848 8.842 1.00 0.00 C ATOM 213 CG1 VAL A 14 7.147 0.579 9.105 1.00 0.00 C ATOM 214 CG2 VAL A 14 7.298 -1.461 7.586 1.00 0.00 C ATOM 0 H VAL A 14 5.397 -3.058 9.198 1.00 0.00 H new ATOM 0 HA VAL A 14 7.871 -1.949 10.247 1.00 0.00 H new ATOM 0 HB VAL A 14 5.547 -0.769 8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.999 1.192 8.216 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.606 1.019 9.943 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.210 0.535 9.342 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.157 -0.796 6.734 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.364 -1.587 7.775 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.851 -2.431 7.367 1.00 0.00 H new ATOM 224 N LEU A 15 4.912 -1.132 11.536 1.00 0.00 N ATOM 225 CA LEU A 15 4.235 -0.486 12.693 1.00 0.00 C ATOM 226 C LEU A 15 3.866 -1.508 13.792 1.00 0.00 C ATOM 227 O LEU A 15 3.259 -1.127 14.800 1.00 0.00 O ATOM 228 CB LEU A 15 2.977 0.318 12.237 1.00 0.00 C ATOM 229 CG LEU A 15 3.210 1.499 11.226 1.00 0.00 C ATOM 230 CD1 LEU A 15 4.493 2.292 11.566 1.00 0.00 C ATOM 231 CD2 LEU A 15 3.197 1.021 9.755 1.00 0.00 C ATOM 0 H LEU A 15 4.271 -1.578 10.880 1.00 0.00 H new ATOM 0 HA LEU A 15 4.948 0.216 13.126 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.274 -0.381 11.784 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.494 0.724 13.126 1.00 0.00 H new ATOM 0 HG LEU A 15 2.369 2.183 11.336 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.622 3.101 10.847 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.408 2.709 12.569 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.355 1.626 11.522 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.362 1.872 9.094 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.988 0.286 9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.232 0.567 9.528 1.00 0.00 H new ATOM 243 N ASN A 16 4.219 -2.794 13.564 1.00 0.00 N ATOM 244 CA ASN A 16 4.090 -3.887 14.540 1.00 0.00 C ATOM 245 C ASN A 16 2.616 -4.086 14.973 1.00 0.00 C ATOM 246 O ASN A 16 2.246 -3.850 16.130 1.00 0.00 O ATOM 247 CB ASN A 16 5.062 -3.684 15.737 1.00 0.00 C ATOM 248 CG ASN A 16 5.171 -4.908 16.653 1.00 0.00 C ATOM 249 OD1 ASN A 16 6.020 -5.774 16.465 1.00 0.00 O ATOM 250 ND2 ASN A 16 4.300 -4.994 17.634 1.00 0.00 N ATOM 0 H ASN A 16 4.610 -3.102 12.674 1.00 0.00 H new ATOM 0 HA ASN A 16 4.388 -4.818 14.058 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.052 -3.439 15.353 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.728 -2.829 16.325 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.319 -5.796 18.264 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.606 -4.258 17.766 1.00 0.00 H new ATOM 257 N LEU A 17 1.766 -4.458 13.995 1.00 0.00 N ATOM 258 CA LEU A 17 0.328 -4.741 14.230 1.00 0.00 C ATOM 259 C LEU A 17 0.134 -6.171 14.775 1.00 0.00 C ATOM 260 O LEU A 17 -0.832 -6.427 15.499 1.00 0.00 O ATOM 261 CB LEU A 17 -0.516 -4.519 12.929 1.00 0.00 C ATOM 262 CG LEU A 17 -0.926 -3.042 12.577 1.00 0.00 C ATOM 263 CD1 LEU A 17 0.289 -2.105 12.453 1.00 0.00 C ATOM 264 CD2 LEU A 17 -1.787 -2.997 11.286 1.00 0.00 C ATOM 0 H LEU A 17 2.051 -4.572 13.022 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.032 -4.038 14.981 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.049 -4.922 12.088 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.427 -5.111 13.013 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.526 -2.677 13.411 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.051 -1.099 12.209 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.831 -2.086 13.398 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.948 -2.466 11.664 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.057 -1.964 11.065 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.217 -3.409 10.454 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.693 -3.586 11.432 1.00 0.00 H new ATOM 276 N GLY A 18 1.043 -7.090 14.393 1.00 0.00 N ATOM 277 CA GLY A 18 1.032 -8.470 14.890 1.00 0.00 C ATOM 278 C GLY A 18 -0.106 -9.292 14.294 1.00 0.00 C ATOM 279 O GLY A 18 -0.050 -9.657 13.122 1.00 0.00 O ATOM 0 H GLY A 18 1.798 -6.893 13.736 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.983 -8.946 14.654 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.941 -8.462 15.976 1.00 0.00 H new ATOM 283 N GLU A 19 -1.145 -9.561 15.102 1.00 0.00 N ATOM 284 CA GLU A 19 -2.360 -10.273 14.651 1.00 0.00 C ATOM 285 C GLU A 19 -3.317 -9.304 13.940 1.00 0.00 C ATOM 286 O GLU A 19 -4.112 -9.725 13.095 1.00 0.00 O ATOM 287 CB GLU A 19 -3.073 -10.946 15.856 1.00 0.00 C ATOM 288 CG GLU A 19 -3.670 -9.955 16.885 1.00 0.00 C ATOM 289 CD GLU A 19 -4.316 -10.638 18.105 1.00 0.00 C ATOM 290 OE1 GLU A 19 -3.601 -10.913 19.093 1.00 0.00 O ATOM 291 OE2 GLU A 19 -5.534 -10.906 18.074 1.00 0.00 O ATOM 0 H GLU A 19 -1.170 -9.293 16.086 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.063 -11.049 13.945 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.872 -11.584 15.479 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.362 -11.595 16.366 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.882 -9.286 17.230 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.418 -9.337 16.388 1.00 0.00 H new ATOM 298 N ARG A 20 -3.196 -7.992 14.269 1.00 0.00 N ATOM 299 CA ARG A 20 -4.097 -6.935 13.765 1.00 0.00 C ATOM 300 C ARG A 20 -3.937 -6.802 12.235 1.00 0.00 C ATOM 301 O ARG A 20 -4.923 -6.600 11.523 1.00 0.00 O ATOM 302 CB ARG A 20 -3.838 -5.583 14.517 1.00 0.00 C ATOM 303 CG ARG A 20 -4.973 -4.509 14.449 1.00 0.00 C ATOM 304 CD ARG A 20 -5.093 -3.780 13.096 1.00 0.00 C ATOM 305 NE ARG A 20 -6.111 -2.710 13.128 1.00 0.00 N ATOM 306 CZ ARG A 20 -6.914 -2.361 12.109 1.00 0.00 C ATOM 307 NH1 ARG A 20 -6.892 -3.022 10.976 1.00 0.00 N ATOM 308 NH2 ARG A 20 -7.749 -1.342 12.235 1.00 0.00 N ATOM 0 H ARG A 20 -2.468 -7.642 14.892 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.133 -7.209 13.966 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.647 -5.809 15.566 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.927 -5.140 14.115 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.925 -4.992 14.671 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.801 -3.769 15.231 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.127 -3.352 12.829 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.349 -4.500 12.319 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.213 -2.191 14.000 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.259 -3.813 10.859 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.508 -2.745 10.212 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.785 -0.817 13.109 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.356 -1.081 11.458 1.00 0.00 H new ATOM 322 N LYS A 21 -2.692 -6.994 11.748 1.00 0.00 N ATOM 323 CA LYS A 21 -2.370 -6.890 10.309 1.00 0.00 C ATOM 324 C LYS A 21 -3.035 -8.012 9.500 1.00 0.00 C ATOM 325 O LYS A 21 -3.232 -7.876 8.300 1.00 0.00 O ATOM 326 CB LYS A 21 -0.843 -6.902 10.066 1.00 0.00 C ATOM 327 CG LYS A 21 -0.171 -8.273 10.227 1.00 0.00 C ATOM 328 CD LYS A 21 1.307 -8.283 9.792 1.00 0.00 C ATOM 329 CE LYS A 21 1.841 -9.701 9.653 1.00 0.00 C ATOM 330 NZ LYS A 21 3.272 -9.737 9.257 1.00 0.00 N ATOM 0 H LYS A 21 -1.890 -7.223 12.335 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.767 -5.934 9.967 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.648 -6.535 9.059 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.375 -6.201 10.757 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.237 -8.582 11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.720 -9.010 9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.410 -7.760 8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.905 -7.738 10.522 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.717 -10.226 10.600 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.249 -10.237 8.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.731 -10.564 9.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.344 -9.803 8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.744 -8.870 9.583 1.00 0.00 H new ATOM 344 N HIS A 22 -3.361 -9.129 10.169 1.00 0.00 N ATOM 345 CA HIS A 22 -3.960 -10.299 9.513 1.00 0.00 C ATOM 346 C HIS A 22 -5.487 -10.257 9.619 1.00 0.00 C ATOM 347 O HIS A 22 -6.182 -10.506 8.638 1.00 0.00 O ATOM 348 CB HIS A 22 -3.400 -11.610 10.111 1.00 0.00 C ATOM 349 CG HIS A 22 -3.893 -12.851 9.404 1.00 0.00 C ATOM 350 ND1 HIS A 22 -3.452 -13.214 8.150 1.00 0.00 N ATOM 351 CD2 HIS A 22 -4.816 -13.779 9.752 1.00 0.00 C ATOM 352 CE1 HIS A 22 -4.072 -14.308 7.767 1.00 0.00 C ATOM 353 NE2 HIS A 22 -4.903 -14.671 8.717 1.00 0.00 N ATOM 0 H HIS A 22 -3.218 -9.245 11.172 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.694 -10.271 8.456 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.311 -11.584 10.067 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.676 -11.667 11.164 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.378 -13.810 10.674 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -3.923 -14.822 6.829 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -5.515 -15.487 8.688 1.00 0.00 H new ATOM 362 N THR A 23 -5.994 -9.891 10.812 1.00 0.00 N ATOM 363 CA THR A 23 -7.441 -9.952 11.141 1.00 0.00 C ATOM 364 C THR A 23 -8.248 -8.805 10.477 1.00 0.00 C ATOM 365 O THR A 23 -9.459 -8.690 10.688 1.00 0.00 O ATOM 366 CB THR A 23 -7.669 -9.965 12.698 1.00 0.00 C ATOM 367 OG1 THR A 23 -9.041 -10.243 13.016 1.00 0.00 O ATOM 368 CG2 THR A 23 -7.261 -8.644 13.364 1.00 0.00 C ATOM 0 H THR A 23 -5.417 -9.544 11.578 1.00 0.00 H new ATOM 0 HA THR A 23 -7.816 -10.889 10.729 1.00 0.00 H new ATOM 0 HB THR A 23 -7.030 -10.757 13.089 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.623 -9.833 12.342 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.439 -8.708 14.437 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.203 -8.456 13.182 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.851 -7.828 12.946 1.00 0.00 H new ATOM 376 N LEU A 24 -7.577 -7.982 9.651 1.00 0.00 N ATOM 377 CA LEU A 24 -8.224 -6.922 8.853 1.00 0.00 C ATOM 378 C LEU A 24 -8.521 -7.420 7.417 1.00 0.00 C ATOM 379 O LEU A 24 -8.207 -8.563 7.064 1.00 0.00 O ATOM 380 CB LEU A 24 -7.343 -5.623 8.870 1.00 0.00 C ATOM 381 CG LEU A 24 -5.824 -5.732 8.459 1.00 0.00 C ATOM 382 CD1 LEU A 24 -5.635 -5.990 6.960 1.00 0.00 C ATOM 383 CD2 LEU A 24 -5.020 -4.476 8.883 1.00 0.00 C ATOM 0 H LEU A 24 -6.567 -8.033 9.517 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.185 -6.670 9.300 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.813 -4.896 8.208 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.384 -5.209 9.878 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.434 -6.595 8.998 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.571 -6.056 6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.123 -6.926 6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.077 -5.172 6.391 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.979 -4.591 8.581 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.442 -3.594 8.401 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.073 -4.358 9.965 1.00 0.00 H new ATOM 395 N THR A 25 -9.109 -6.531 6.596 1.00 0.00 N ATOM 396 CA THR A 25 -9.365 -6.759 5.159 1.00 0.00 C ATOM 397 C THR A 25 -8.910 -5.518 4.361 1.00 0.00 C ATOM 398 O THR A 25 -8.295 -4.604 4.923 1.00 0.00 O ATOM 399 CB THR A 25 -10.891 -7.032 4.889 1.00 0.00 C ATOM 400 OG1 THR A 25 -11.678 -5.956 5.418 1.00 0.00 O ATOM 401 CG2 THR A 25 -11.375 -8.363 5.486 1.00 0.00 C ATOM 0 H THR A 25 -9.426 -5.616 6.917 1.00 0.00 H new ATOM 0 HA THR A 25 -8.803 -7.637 4.841 1.00 0.00 H new ATOM 0 HB THR A 25 -11.015 -7.099 3.808 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.627 -6.130 5.246 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.435 -8.496 5.267 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.808 -9.185 5.049 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.226 -8.353 6.566 1.00 0.00 H new ATOM 409 N ALA A 26 -9.226 -5.491 3.051 1.00 0.00 N ATOM 410 CA ALA A 26 -9.016 -4.307 2.184 1.00 0.00 C ATOM 411 C ALA A 26 -9.846 -3.093 2.662 1.00 0.00 C ATOM 412 O ALA A 26 -9.495 -1.936 2.391 1.00 0.00 O ATOM 413 CB ALA A 26 -9.368 -4.657 0.731 1.00 0.00 C ATOM 0 H ALA A 26 -9.634 -6.287 2.561 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.964 -4.027 2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.212 -3.783 0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.730 -5.472 0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.412 -4.965 0.674 1.00 0.00 H new ATOM 419 N SER A 27 -10.931 -3.390 3.407 1.00 0.00 N ATOM 420 CA SER A 27 -11.845 -2.380 3.971 1.00 0.00 C ATOM 421 C SER A 27 -11.232 -1.665 5.200 1.00 0.00 C ATOM 422 O SER A 27 -11.839 -0.730 5.733 1.00 0.00 O ATOM 423 CB SER A 27 -13.175 -3.066 4.355 1.00 0.00 C ATOM 424 OG SER A 27 -13.668 -3.851 3.280 1.00 0.00 O ATOM 0 H SER A 27 -11.198 -4.348 3.635 1.00 0.00 H new ATOM 0 HA SER A 27 -12.023 -1.615 3.215 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.024 -3.696 5.232 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.913 -2.311 4.628 1.00 0.00 H new ATOM 0 HG SER A 27 -14.509 -4.277 3.545 1.00 0.00 H new ATOM 430 N SER A 28 -10.040 -2.116 5.653 1.00 0.00 N ATOM 431 CA SER A 28 -9.326 -1.496 6.783 1.00 0.00 C ATOM 432 C SER A 28 -8.766 -0.124 6.383 1.00 0.00 C ATOM 433 O SER A 28 -8.101 -0.001 5.350 1.00 0.00 O ATOM 434 CB SER A 28 -8.170 -2.400 7.265 1.00 0.00 C ATOM 435 OG SER A 28 -7.528 -1.889 8.430 1.00 0.00 O ATOM 0 H SER A 28 -9.552 -2.914 5.246 1.00 0.00 H new ATOM 0 HA SER A 28 -10.041 -1.369 7.596 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.556 -3.398 7.475 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.436 -2.504 6.466 1.00 0.00 H new ATOM 0 HG SER A 28 -8.188 -1.435 8.995 1.00 0.00 H new ATOM 441 N VAL A 29 -9.032 0.888 7.220 1.00 0.00 N ATOM 442 CA VAL A 29 -8.503 2.247 7.042 1.00 0.00 C ATOM 443 C VAL A 29 -7.121 2.318 7.722 1.00 0.00 C ATOM 444 O VAL A 29 -6.931 1.748 8.807 1.00 0.00 O ATOM 445 CB VAL A 29 -9.485 3.326 7.647 1.00 0.00 C ATOM 446 CG1 VAL A 29 -9.010 4.777 7.355 1.00 0.00 C ATOM 447 CG2 VAL A 29 -10.934 3.095 7.145 1.00 0.00 C ATOM 0 H VAL A 29 -9.624 0.786 8.044 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.407 2.467 5.979 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.476 3.203 8.730 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.715 5.485 7.790 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.024 4.932 7.793 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.957 4.933 6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.593 3.850 7.575 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.958 3.169 6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.271 2.104 7.449 1.00 0.00 H new ATOM 457 N LEU A 30 -6.150 2.980 7.071 1.00 0.00 N ATOM 458 CA LEU A 30 -4.755 3.030 7.549 1.00 0.00 C ATOM 459 C LEU A 30 -4.421 4.400 8.150 1.00 0.00 C ATOM 460 O LEU A 30 -4.253 4.509 9.372 1.00 0.00 O ATOM 461 CB LEU A 30 -3.783 2.671 6.409 1.00 0.00 C ATOM 462 CG LEU A 30 -4.047 1.318 5.685 1.00 0.00 C ATOM 463 CD1 LEU A 30 -2.975 1.064 4.618 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.150 0.131 6.682 1.00 0.00 C ATOM 0 H LEU A 30 -6.307 3.493 6.204 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.641 2.291 8.342 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.814 3.469 5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.771 2.652 6.814 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.015 1.391 5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.174 0.114 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.995 1.869 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.993 1.028 5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.335 -0.792 6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.217 0.041 7.238 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.971 0.309 7.377 1.00 0.00 H new ATOM 476 N LEU A 31 -4.304 5.432 7.280 1.00 0.00 N ATOM 477 CA LEU A 31 -4.030 6.816 7.702 1.00 0.00 C ATOM 478 C LEU A 31 -5.051 7.285 8.750 1.00 0.00 C ATOM 479 O LEU A 31 -6.260 7.272 8.491 1.00 0.00 O ATOM 480 CB LEU A 31 -4.032 7.774 6.478 1.00 0.00 C ATOM 481 CG LEU A 31 -2.876 7.594 5.450 1.00 0.00 C ATOM 482 CD1 LEU A 31 -2.982 8.622 4.310 1.00 0.00 C ATOM 483 CD2 LEU A 31 -1.496 7.672 6.127 1.00 0.00 C ATOM 0 H LEU A 31 -4.398 5.323 6.270 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.040 6.837 8.158 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.978 7.652 5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.003 8.799 6.848 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.978 6.597 5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.162 8.472 3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.932 8.493 3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.927 9.630 4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.715 7.542 5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.380 8.644 6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.414 6.885 6.877 1.00 0.00 H new ATOM 495 N GLY A 32 -4.544 7.624 9.945 1.00 0.00 N ATOM 496 CA GLY A 32 -5.364 8.150 11.039 1.00 0.00 C ATOM 497 C GLY A 32 -5.972 7.063 11.916 1.00 0.00 C ATOM 498 O GLY A 32 -6.003 7.199 13.145 1.00 0.00 O ATOM 0 H GLY A 32 -3.554 7.540 10.177 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.753 8.806 11.658 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.165 8.760 10.622 1.00 0.00 H new ATOM 502 N ASN A 33 -6.461 5.987 11.274 1.00 0.00 N ATOM 503 CA ASN A 33 -7.175 4.887 11.949 1.00 0.00 C ATOM 504 C ASN A 33 -6.212 4.027 12.778 1.00 0.00 C ATOM 505 O ASN A 33 -6.488 3.732 13.950 1.00 0.00 O ATOM 506 CB ASN A 33 -7.926 4.033 10.906 1.00 0.00 C ATOM 507 CG ASN A 33 -8.671 2.830 11.500 1.00 0.00 C ATOM 508 OD1 ASN A 33 -9.819 2.944 11.921 1.00 0.00 O ATOM 509 ND2 ASN A 33 -8.043 1.660 11.505 1.00 0.00 N ATOM 0 H ASN A 33 -6.372 5.855 10.267 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.902 5.315 12.639 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.641 4.666 10.381 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.212 3.675 10.164 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.514 0.830 11.864 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.089 1.592 11.150 1.00 0.00 H new ATOM 516 N ILE A 34 -5.087 3.626 12.153 1.00 0.00 N ATOM 517 CA ILE A 34 -4.027 2.880 12.838 1.00 0.00 C ATOM 518 C ILE A 34 -3.272 3.861 13.762 1.00 0.00 C ATOM 519 O ILE A 34 -2.651 4.811 13.263 1.00 0.00 O ATOM 520 CB ILE A 34 -3.003 2.195 11.847 1.00 0.00 C ATOM 521 CG1 ILE A 34 -3.739 1.357 10.746 1.00 0.00 C ATOM 522 CG2 ILE A 34 -1.978 1.323 12.627 1.00 0.00 C ATOM 523 CD1 ILE A 34 -4.619 0.229 11.261 1.00 0.00 C ATOM 0 H ILE A 34 -4.894 3.811 11.169 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.496 2.073 13.401 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.455 2.987 11.338 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.354 2.032 10.151 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.991 0.934 10.076 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.284 0.862 11.925 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.424 1.950 13.326 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.507 0.545 13.178 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.081 -0.286 10.418 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.012 -0.476 11.829 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.396 0.639 11.905 1.00 0.00 H new ATOM 535 N PRO A 35 -3.299 3.645 15.114 1.00 0.00 N ATOM 536 CA PRO A 35 -2.696 4.585 16.090 1.00 0.00 C ATOM 537 C PRO A 35 -1.154 4.529 16.116 1.00 0.00 C ATOM 538 O PRO A 35 -0.517 5.263 16.878 1.00 0.00 O ATOM 539 CB PRO A 35 -3.318 4.122 17.433 1.00 0.00 C ATOM 540 CG PRO A 35 -3.524 2.650 17.253 1.00 0.00 C ATOM 541 CD PRO A 35 -3.907 2.466 15.797 1.00 0.00 C ATOM 0 HA PRO A 35 -2.902 5.628 15.848 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.655 4.332 18.272 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -4.259 4.634 17.634 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.617 2.095 17.493 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.308 2.280 17.914 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.519 1.529 15.397 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.989 2.444 15.668 1.00 0.00 H new ATOM 549 N GLU A 36 -0.566 3.653 15.275 1.00 0.00 N ATOM 550 CA GLU A 36 0.891 3.492 15.144 1.00 0.00 C ATOM 551 C GLU A 36 1.380 4.074 13.806 1.00 0.00 C ATOM 552 O GLU A 36 2.581 4.098 13.547 1.00 0.00 O ATOM 553 CB GLU A 36 1.258 1.990 15.257 1.00 0.00 C ATOM 554 CG GLU A 36 0.755 1.306 16.546 1.00 0.00 C ATOM 555 CD GLU A 36 1.341 1.903 17.838 1.00 0.00 C ATOM 556 OE1 GLU A 36 2.439 1.487 18.251 1.00 0.00 O ATOM 557 OE2 GLU A 36 0.709 2.784 18.449 1.00 0.00 O ATOM 0 H GLU A 36 -1.097 3.033 14.663 1.00 0.00 H new ATOM 0 HA GLU A 36 1.385 4.038 15.947 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.847 1.462 14.396 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.342 1.888 15.206 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.332 1.379 16.584 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.002 0.245 16.503 1.00 0.00 H new ATOM 564 N LEU A 37 0.449 4.572 12.971 1.00 0.00 N ATOM 565 CA LEU A 37 0.775 5.065 11.622 1.00 0.00 C ATOM 566 C LEU A 37 0.712 6.604 11.626 1.00 0.00 C ATOM 567 O LEU A 37 -0.376 7.182 11.626 1.00 0.00 O ATOM 568 CB LEU A 37 -0.190 4.428 10.561 1.00 0.00 C ATOM 569 CG LEU A 37 0.341 4.320 9.085 1.00 0.00 C ATOM 570 CD1 LEU A 37 -0.572 3.425 8.221 1.00 0.00 C ATOM 571 CD2 LEU A 37 0.531 5.700 8.418 1.00 0.00 C ATOM 0 H LEU A 37 -0.540 4.643 13.210 1.00 0.00 H new ATOM 0 HA LEU A 37 1.786 4.767 11.343 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.452 3.426 10.901 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.111 5.011 10.548 1.00 0.00 H new ATOM 0 HG LEU A 37 1.324 3.854 9.150 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.176 3.372 7.207 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.609 2.423 8.649 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.577 3.847 8.196 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.899 5.565 7.401 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.423 6.226 8.392 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.252 6.284 8.990 1.00 0.00 H new ATOM 583 N ASP A 38 1.892 7.250 11.665 1.00 0.00 N ATOM 584 CA ASP A 38 2.044 8.721 11.613 1.00 0.00 C ATOM 585 C ASP A 38 2.727 9.153 10.286 1.00 0.00 C ATOM 586 O ASP A 38 2.795 8.378 9.334 1.00 0.00 O ATOM 587 CB ASP A 38 2.889 9.193 12.847 1.00 0.00 C ATOM 588 CG ASP A 38 4.394 8.855 12.722 1.00 0.00 C ATOM 589 OD1 ASP A 38 4.757 7.663 12.772 1.00 0.00 O ATOM 590 OD2 ASP A 38 5.219 9.785 12.538 1.00 0.00 O ATOM 0 H ASP A 38 2.783 6.759 11.735 1.00 0.00 H new ATOM 0 HA ASP A 38 1.060 9.188 11.649 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.774 10.270 12.967 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.493 8.728 13.750 1.00 0.00 H new ATOM 595 N SER A 39 3.203 10.410 10.275 1.00 0.00 N ATOM 596 CA SER A 39 4.037 11.029 9.223 1.00 0.00 C ATOM 597 C SER A 39 5.206 10.111 8.744 1.00 0.00 C ATOM 598 O SER A 39 5.208 9.592 7.610 1.00 0.00 O ATOM 599 CB SER A 39 4.576 12.348 9.845 1.00 0.00 C ATOM 600 OG SER A 39 5.434 13.069 8.972 1.00 0.00 O ATOM 0 H SER A 39 3.008 11.058 11.038 1.00 0.00 H new ATOM 0 HA SER A 39 3.445 11.205 8.325 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.734 12.982 10.122 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.115 12.115 10.763 1.00 0.00 H new ATOM 0 HG SER A 39 5.739 13.888 9.416 1.00 0.00 H new ATOM 605 N MET A 40 6.180 9.874 9.639 1.00 0.00 N ATOM 606 CA MET A 40 7.362 9.046 9.325 1.00 0.00 C ATOM 607 C MET A 40 6.977 7.593 8.990 1.00 0.00 C ATOM 608 O MET A 40 7.700 6.916 8.263 1.00 0.00 O ATOM 609 CB MET A 40 8.391 9.073 10.472 1.00 0.00 C ATOM 610 CG MET A 40 8.988 10.458 10.734 1.00 0.00 C ATOM 611 SD MET A 40 9.734 11.169 9.247 1.00 0.00 S ATOM 612 CE MET A 40 10.425 12.696 9.875 1.00 0.00 C ATOM 0 H MET A 40 6.174 10.245 10.589 1.00 0.00 H new ATOM 0 HA MET A 40 7.821 9.484 8.439 1.00 0.00 H new ATOM 0 HB2 MET A 40 7.914 8.715 11.384 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.198 8.378 10.240 1.00 0.00 H new ATOM 0 HG2 MET A 40 8.208 11.125 11.102 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.742 10.385 11.518 1.00 0.00 H new ATOM 0 HE1 MET A 40 10.915 13.234 9.064 1.00 0.00 H new ATOM 0 HE2 MET A 40 9.628 13.312 10.290 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.154 12.472 10.654 1.00 0.00 H new ATOM 622 N ALA A 41 5.831 7.140 9.520 1.00 0.00 N ATOM 623 CA ALA A 41 5.280 5.813 9.214 1.00 0.00 C ATOM 624 C ALA A 41 4.872 5.678 7.740 1.00 0.00 C ATOM 625 O ALA A 41 5.083 4.613 7.160 1.00 0.00 O ATOM 626 CB ALA A 41 4.103 5.511 10.117 1.00 0.00 C ATOM 0 H ALA A 41 5.262 7.682 10.171 1.00 0.00 H new ATOM 0 HA ALA A 41 6.070 5.085 9.398 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.705 4.525 9.879 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.428 5.529 11.157 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.327 6.261 9.966 1.00 0.00 H new ATOM 632 N VAL A 42 4.289 6.763 7.144 1.00 0.00 N ATOM 633 CA VAL A 42 3.922 6.764 5.703 1.00 0.00 C ATOM 634 C VAL A 42 5.190 6.567 4.859 1.00 0.00 C ATOM 635 O VAL A 42 5.186 5.825 3.882 1.00 0.00 O ATOM 636 CB VAL A 42 3.134 8.066 5.200 1.00 0.00 C ATOM 637 CG1 VAL A 42 2.056 8.506 6.208 1.00 0.00 C ATOM 638 CG2 VAL A 42 4.060 9.266 4.807 1.00 0.00 C ATOM 0 H VAL A 42 4.069 7.630 7.634 1.00 0.00 H new ATOM 0 HA VAL A 42 3.221 5.939 5.575 1.00 0.00 H new ATOM 0 HB VAL A 42 2.642 7.758 4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.545 9.391 5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.334 7.700 6.344 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.525 8.738 7.164 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.448 10.106 4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.653 9.566 5.671 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.725 8.963 3.998 1.00 0.00 H new ATOM 648 N VAL A 43 6.290 7.196 5.307 1.00 0.00 N ATOM 649 CA VAL A 43 7.584 7.151 4.581 1.00 0.00 C ATOM 650 C VAL A 43 8.199 5.746 4.651 1.00 0.00 C ATOM 651 O VAL A 43 8.675 5.202 3.643 1.00 0.00 O ATOM 652 CB VAL A 43 8.589 8.193 5.177 1.00 0.00 C ATOM 653 CG1 VAL A 43 9.823 8.396 4.270 1.00 0.00 C ATOM 654 CG2 VAL A 43 7.859 9.510 5.465 1.00 0.00 C ATOM 0 H VAL A 43 6.315 7.743 6.168 1.00 0.00 H new ATOM 0 HA VAL A 43 7.389 7.401 3.538 1.00 0.00 H new ATOM 0 HB VAL A 43 8.974 7.801 6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.492 9.127 4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.348 7.448 4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.501 8.756 3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.562 10.232 5.880 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.439 9.903 4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.057 9.332 6.181 1.00 0.00 H new ATOM 664 N ASN A 44 8.167 5.196 5.868 1.00 0.00 N ATOM 665 CA ASN A 44 8.687 3.862 6.196 1.00 0.00 C ATOM 666 C ASN A 44 8.025 2.760 5.352 1.00 0.00 C ATOM 667 O ASN A 44 8.710 1.859 4.863 1.00 0.00 O ATOM 668 CB ASN A 44 8.480 3.590 7.713 1.00 0.00 C ATOM 669 CG ASN A 44 9.462 4.323 8.639 1.00 0.00 C ATOM 670 OD1 ASN A 44 10.603 4.595 8.271 1.00 0.00 O ATOM 671 ND2 ASN A 44 9.029 4.635 9.857 1.00 0.00 N ATOM 0 H ASN A 44 7.769 5.677 6.674 1.00 0.00 H new ATOM 0 HA ASN A 44 9.751 3.843 5.960 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.464 3.877 7.984 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.566 2.518 7.891 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.649 5.112 10.512 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.077 4.397 10.136 1.00 0.00 H new ATOM 678 N VAL A 45 6.692 2.851 5.179 1.00 0.00 N ATOM 679 CA VAL A 45 5.925 1.846 4.418 1.00 0.00 C ATOM 680 C VAL A 45 6.056 2.044 2.900 1.00 0.00 C ATOM 681 O VAL A 45 5.947 1.066 2.172 1.00 0.00 O ATOM 682 CB VAL A 45 4.416 1.778 4.838 1.00 0.00 C ATOM 683 CG1 VAL A 45 4.274 1.238 6.279 1.00 0.00 C ATOM 684 CG2 VAL A 45 3.714 3.140 4.687 1.00 0.00 C ATOM 0 H VAL A 45 6.124 3.610 5.556 1.00 0.00 H new ATOM 0 HA VAL A 45 6.373 0.886 4.674 1.00 0.00 H new ATOM 0 HB VAL A 45 3.919 1.085 4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.219 1.199 6.551 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.701 0.237 6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.802 1.897 6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.671 3.047 4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.210 3.877 5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.763 3.461 3.647 1.00 0.00 H new ATOM 694 N ILE A 46 6.292 3.295 2.418 1.00 0.00 N ATOM 695 CA ILE A 46 6.617 3.525 0.976 1.00 0.00 C ATOM 696 C ILE A 46 7.898 2.748 0.632 1.00 0.00 C ATOM 697 O ILE A 46 7.890 1.867 -0.233 1.00 0.00 O ATOM 698 CB ILE A 46 6.811 5.060 0.618 1.00 0.00 C ATOM 699 CG1 ILE A 46 5.487 5.848 0.843 1.00 0.00 C ATOM 700 CG2 ILE A 46 7.327 5.261 -0.844 1.00 0.00 C ATOM 701 CD1 ILE A 46 5.623 7.366 0.799 1.00 0.00 C ATOM 0 H ILE A 46 6.265 4.141 2.987 1.00 0.00 H new ATOM 0 HA ILE A 46 5.771 3.173 0.386 1.00 0.00 H new ATOM 0 HB ILE A 46 7.574 5.454 1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.766 5.541 0.085 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.073 5.564 1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.445 6.326 -1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.288 4.761 -0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.608 4.837 -1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.648 7.824 0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.315 7.692 1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.003 7.669 -0.176 1.00 0.00 H new ATOM 713 N THR A 47 8.955 3.046 1.419 1.00 0.00 N ATOM 714 CA THR A 47 10.289 2.442 1.284 1.00 0.00 C ATOM 715 C THR A 47 10.204 0.902 1.332 1.00 0.00 C ATOM 716 O THR A 47 10.729 0.214 0.453 1.00 0.00 O ATOM 717 CB THR A 47 11.230 2.963 2.425 1.00 0.00 C ATOM 718 OG1 THR A 47 11.215 4.402 2.444 1.00 0.00 O ATOM 719 CG2 THR A 47 12.687 2.474 2.271 1.00 0.00 C ATOM 0 H THR A 47 8.899 3.725 2.178 1.00 0.00 H new ATOM 0 HA THR A 47 10.701 2.732 0.317 1.00 0.00 H new ATOM 0 HB THR A 47 10.847 2.559 3.362 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.420 4.715 2.925 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.291 2.866 3.089 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.709 1.384 2.294 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.090 2.826 1.321 1.00 0.00 H new ATOM 727 N ALA A 48 9.478 0.397 2.346 1.00 0.00 N ATOM 728 CA ALA A 48 9.292 -1.041 2.573 1.00 0.00 C ATOM 729 C ALA A 48 8.547 -1.722 1.402 1.00 0.00 C ATOM 730 O ALA A 48 8.933 -2.813 0.992 1.00 0.00 O ATOM 731 CB ALA A 48 8.574 -1.271 3.903 1.00 0.00 C ATOM 0 H ALA A 48 9.002 0.982 3.033 1.00 0.00 H new ATOM 0 HA ALA A 48 10.277 -1.505 2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.440 -2.341 4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.170 -0.854 4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.600 -0.783 3.880 1.00 0.00 H new ATOM 737 N LEU A 49 7.503 -1.055 0.855 1.00 0.00 N ATOM 738 CA LEU A 49 6.753 -1.545 -0.337 1.00 0.00 C ATOM 739 C LEU A 49 7.737 -1.804 -1.508 1.00 0.00 C ATOM 740 O LEU A 49 7.773 -2.918 -2.074 1.00 0.00 O ATOM 741 CB LEU A 49 5.621 -0.523 -0.758 1.00 0.00 C ATOM 742 CG LEU A 49 4.137 -0.889 -0.383 1.00 0.00 C ATOM 743 CD1 LEU A 49 3.677 -2.154 -1.121 1.00 0.00 C ATOM 744 CD2 LEU A 49 3.936 -1.034 1.140 1.00 0.00 C ATOM 0 H LEU A 49 7.155 -0.169 1.221 1.00 0.00 H new ATOM 0 HA LEU A 49 6.263 -2.484 -0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.854 0.442 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.672 -0.390 -1.839 1.00 0.00 H new ATOM 0 HG LEU A 49 3.514 -0.056 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.648 -2.384 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.734 -1.989 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.322 -2.989 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.896 -1.287 1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.584 -1.824 1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.186 -0.093 1.631 1.00 0.00 H new ATOM 756 N GLU A 50 8.564 -0.769 -1.798 1.00 0.00 N ATOM 757 CA GLU A 50 9.604 -0.796 -2.856 1.00 0.00 C ATOM 758 C GLU A 50 10.551 -2.003 -2.677 1.00 0.00 C ATOM 759 O GLU A 50 10.885 -2.688 -3.649 1.00 0.00 O ATOM 760 CB GLU A 50 10.449 0.520 -2.836 1.00 0.00 C ATOM 761 CG GLU A 50 9.653 1.846 -2.818 1.00 0.00 C ATOM 762 CD GLU A 50 8.918 2.167 -4.126 1.00 0.00 C ATOM 763 OE1 GLU A 50 7.900 1.512 -4.427 1.00 0.00 O ATOM 764 OE2 GLU A 50 9.370 3.082 -4.868 1.00 0.00 O ATOM 0 H GLU A 50 8.527 0.119 -1.297 1.00 0.00 H new ATOM 0 HA GLU A 50 9.090 -0.885 -3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.096 0.498 -1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.098 0.523 -3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.925 1.807 -2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.338 2.663 -2.592 1.00 0.00 H new ATOM 771 N GLU A 51 10.972 -2.238 -1.414 1.00 0.00 N ATOM 772 CA GLU A 51 11.893 -3.331 -1.046 1.00 0.00 C ATOM 773 C GLU A 51 11.276 -4.721 -1.334 1.00 0.00 C ATOM 774 O GLU A 51 11.758 -5.441 -2.209 1.00 0.00 O ATOM 775 CB GLU A 51 12.296 -3.222 0.453 1.00 0.00 C ATOM 776 CG GLU A 51 13.047 -1.930 0.843 1.00 0.00 C ATOM 777 CD GLU A 51 14.415 -1.761 0.148 1.00 0.00 C ATOM 778 OE1 GLU A 51 15.433 -2.226 0.702 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.476 -1.160 -0.947 1.00 0.00 O ATOM 0 H GLU A 51 10.679 -1.670 -0.619 1.00 0.00 H new ATOM 0 HA GLU A 51 12.786 -3.229 -1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.394 -3.296 1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.922 -4.077 0.707 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.420 -1.071 0.601 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.197 -1.922 1.923 1.00 0.00 H new ATOM 786 N TYR A 52 10.176 -5.045 -0.623 1.00 0.00 N ATOM 787 CA TYR A 52 9.570 -6.396 -0.617 1.00 0.00 C ATOM 788 C TYR A 52 9.071 -6.841 -2.009 1.00 0.00 C ATOM 789 O TYR A 52 9.251 -8.006 -2.388 1.00 0.00 O ATOM 790 CB TYR A 52 8.419 -6.471 0.425 1.00 0.00 C ATOM 791 CG TYR A 52 8.891 -6.394 1.895 1.00 0.00 C ATOM 792 CD1 TYR A 52 9.554 -7.468 2.495 1.00 0.00 C ATOM 793 CD2 TYR A 52 8.677 -5.261 2.679 1.00 0.00 C ATOM 794 CE1 TYR A 52 9.968 -7.411 3.812 1.00 0.00 C ATOM 795 CE2 TYR A 52 9.090 -5.201 3.994 1.00 0.00 C ATOM 796 CZ TYR A 52 9.737 -6.276 4.552 1.00 0.00 C ATOM 797 OH TYR A 52 10.152 -6.213 5.854 1.00 0.00 O ATOM 0 H TYR A 52 9.680 -4.376 -0.034 1.00 0.00 H new ATOM 0 HA TYR A 52 10.360 -7.091 -0.333 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.719 -5.657 0.236 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.871 -7.402 0.279 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.747 -8.360 1.918 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.175 -4.409 2.246 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.472 -8.256 4.259 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.905 -4.314 4.581 1.00 0.00 H new ATOM 0 HH TYR A 52 9.440 -5.827 6.406 1.00 0.00 H new ATOM 807 N PHE A 53 8.438 -5.923 -2.764 1.00 0.00 N ATOM 808 CA PHE A 53 7.922 -6.246 -4.118 1.00 0.00 C ATOM 809 C PHE A 53 8.995 -6.024 -5.218 1.00 0.00 C ATOM 810 O PHE A 53 8.860 -6.590 -6.309 1.00 0.00 O ATOM 811 CB PHE A 53 6.663 -5.417 -4.451 1.00 0.00 C ATOM 812 CG PHE A 53 5.388 -5.772 -3.679 1.00 0.00 C ATOM 813 CD1 PHE A 53 5.182 -5.325 -2.376 1.00 0.00 C ATOM 814 CD2 PHE A 53 4.376 -6.530 -4.278 1.00 0.00 C ATOM 815 CE1 PHE A 53 4.012 -5.619 -1.704 1.00 0.00 C ATOM 816 CE2 PHE A 53 3.204 -6.815 -3.605 1.00 0.00 C ATOM 817 CZ PHE A 53 3.024 -6.361 -2.320 1.00 0.00 C ATOM 0 H PHE A 53 8.270 -4.961 -2.468 1.00 0.00 H new ATOM 0 HA PHE A 53 7.659 -7.304 -4.104 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.889 -4.366 -4.272 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.457 -5.522 -5.516 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.947 -4.741 -1.885 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.514 -6.899 -5.284 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.869 -5.267 -0.693 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.430 -7.394 -4.088 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.109 -6.585 -1.792 1.00 0.00 H new ATOM 827 N ASP A 54 10.029 -5.191 -4.926 1.00 0.00 N ATOM 828 CA ASP A 54 11.120 -4.841 -5.883 1.00 0.00 C ATOM 829 C ASP A 54 10.567 -4.074 -7.098 1.00 0.00 C ATOM 830 O ASP A 54 10.691 -4.507 -8.251 1.00 0.00 O ATOM 831 CB ASP A 54 11.973 -6.080 -6.308 1.00 0.00 C ATOM 832 CG ASP A 54 12.917 -6.569 -5.198 1.00 0.00 C ATOM 833 OD1 ASP A 54 14.038 -6.021 -5.073 1.00 0.00 O ATOM 834 OD2 ASP A 54 12.545 -7.490 -4.438 1.00 0.00 O ATOM 0 H ASP A 54 10.132 -4.740 -4.017 1.00 0.00 H new ATOM 0 HA ASP A 54 11.804 -4.176 -5.355 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.305 -6.893 -6.594 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.560 -5.825 -7.190 1.00 0.00 H new ATOM 839 N PHE A 55 9.937 -2.931 -6.806 1.00 0.00 N ATOM 840 CA PHE A 55 9.337 -2.048 -7.828 1.00 0.00 C ATOM 841 C PHE A 55 9.439 -0.585 -7.374 1.00 0.00 C ATOM 842 O PHE A 55 10.018 -0.297 -6.318 1.00 0.00 O ATOM 843 CB PHE A 55 7.847 -2.446 -8.083 1.00 0.00 C ATOM 844 CG PHE A 55 6.849 -2.014 -6.993 1.00 0.00 C ATOM 845 CD1 PHE A 55 7.078 -2.290 -5.647 1.00 0.00 C ATOM 846 CD2 PHE A 55 5.680 -1.339 -7.323 1.00 0.00 C ATOM 847 CE1 PHE A 55 6.172 -1.915 -4.678 1.00 0.00 C ATOM 848 CE2 PHE A 55 4.779 -0.967 -6.351 1.00 0.00 C ATOM 849 CZ PHE A 55 5.025 -1.256 -5.028 1.00 0.00 C ATOM 0 H PHE A 55 9.825 -2.586 -5.853 1.00 0.00 H new ATOM 0 HA PHE A 55 9.883 -2.163 -8.764 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.531 -2.013 -9.032 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.792 -3.529 -8.192 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.981 -2.807 -5.358 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.475 -1.103 -8.357 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.368 -2.142 -3.640 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.875 -0.446 -6.628 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.315 -0.964 -4.269 1.00 0.00 H new ATOM 859 N SER A 56 8.880 0.335 -8.179 1.00 0.00 N ATOM 860 CA SER A 56 8.785 1.752 -7.811 1.00 0.00 C ATOM 861 C SER A 56 7.357 2.287 -8.036 1.00 0.00 C ATOM 862 O SER A 56 6.852 2.265 -9.168 1.00 0.00 O ATOM 863 CB SER A 56 9.829 2.582 -8.599 1.00 0.00 C ATOM 864 OG SER A 56 9.937 3.896 -8.076 1.00 0.00 O ATOM 0 H SER A 56 8.486 0.117 -9.094 1.00 0.00 H new ATOM 0 HA SER A 56 9.005 1.849 -6.748 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.800 2.088 -8.554 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.543 2.628 -9.650 1.00 0.00 H new ATOM 0 HG SER A 56 10.603 4.399 -8.589 1.00 0.00 H new ATOM 870 N VAL A 57 6.699 2.730 -6.940 1.00 0.00 N ATOM 871 CA VAL A 57 5.440 3.493 -7.018 1.00 0.00 C ATOM 872 C VAL A 57 5.807 4.932 -7.425 1.00 0.00 C ATOM 873 O VAL A 57 6.644 5.554 -6.757 1.00 0.00 O ATOM 874 CB VAL A 57 4.644 3.539 -5.642 1.00 0.00 C ATOM 875 CG1 VAL A 57 3.214 4.086 -5.849 1.00 0.00 C ATOM 876 CG2 VAL A 57 4.599 2.167 -4.947 1.00 0.00 C ATOM 0 H VAL A 57 7.025 2.569 -5.987 1.00 0.00 H new ATOM 0 HA VAL A 57 4.787 3.001 -7.739 1.00 0.00 H new ATOM 0 HB VAL A 57 5.188 4.218 -4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.691 4.107 -4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.266 5.096 -6.257 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.675 3.442 -6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.045 2.251 -4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.106 1.445 -5.598 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.615 1.832 -4.738 1.00 0.00 H new ATOM 886 N ASP A 58 5.210 5.449 -8.514 1.00 0.00 N ATOM 887 CA ASP A 58 5.539 6.794 -9.042 1.00 0.00 C ATOM 888 C ASP A 58 5.123 7.882 -8.032 1.00 0.00 C ATOM 889 O ASP A 58 4.039 7.815 -7.470 1.00 0.00 O ATOM 890 CB ASP A 58 4.858 7.008 -10.412 1.00 0.00 C ATOM 891 CG ASP A 58 5.132 8.388 -11.024 1.00 0.00 C ATOM 892 OD1 ASP A 58 6.288 8.651 -11.411 1.00 0.00 O ATOM 893 OD2 ASP A 58 4.197 9.207 -11.110 1.00 0.00 O ATOM 0 H ASP A 58 4.495 4.957 -9.050 1.00 0.00 H new ATOM 0 HA ASP A 58 6.617 6.867 -9.186 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.201 6.238 -11.103 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.782 6.877 -10.298 1.00 0.00 H new ATOM 898 N ASP A 59 5.994 8.875 -7.809 1.00 0.00 N ATOM 899 CA ASP A 59 5.798 9.909 -6.764 1.00 0.00 C ATOM 900 C ASP A 59 4.502 10.737 -6.998 1.00 0.00 C ATOM 901 O ASP A 59 3.893 11.231 -6.044 1.00 0.00 O ATOM 902 CB ASP A 59 7.049 10.829 -6.714 1.00 0.00 C ATOM 903 CG ASP A 59 7.053 11.821 -5.537 1.00 0.00 C ATOM 904 OD1 ASP A 59 7.389 11.415 -4.406 1.00 0.00 O ATOM 905 OD2 ASP A 59 6.746 13.014 -5.739 1.00 0.00 O ATOM 0 H ASP A 59 6.855 8.991 -8.343 1.00 0.00 H new ATOM 0 HA ASP A 59 5.676 9.410 -5.803 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.942 10.207 -6.654 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.113 11.389 -7.647 1.00 0.00 H new ATOM 910 N ASP A 60 4.081 10.849 -8.279 1.00 0.00 N ATOM 911 CA ASP A 60 2.868 11.608 -8.675 1.00 0.00 C ATOM 912 C ASP A 60 1.579 10.787 -8.488 1.00 0.00 C ATOM 913 O ASP A 60 0.486 11.361 -8.442 1.00 0.00 O ATOM 914 CB ASP A 60 2.975 12.094 -10.143 1.00 0.00 C ATOM 915 CG ASP A 60 4.167 13.030 -10.380 1.00 0.00 C ATOM 916 OD1 ASP A 60 4.073 14.231 -10.034 1.00 0.00 O ATOM 917 OD2 ASP A 60 5.209 12.574 -10.897 1.00 0.00 O ATOM 0 H ASP A 60 4.568 10.419 -9.065 1.00 0.00 H new ATOM 0 HA ASP A 60 2.810 12.473 -8.014 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.063 11.229 -10.801 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.055 12.610 -10.417 1.00 0.00 H new ATOM 922 N GLU A 61 1.703 9.451 -8.394 1.00 0.00 N ATOM 923 CA GLU A 61 0.532 8.574 -8.138 1.00 0.00 C ATOM 924 C GLU A 61 0.373 8.338 -6.627 1.00 0.00 C ATOM 925 O GLU A 61 -0.705 7.944 -6.168 1.00 0.00 O ATOM 926 CB GLU A 61 0.610 7.227 -8.910 1.00 0.00 C ATOM 927 CG GLU A 61 1.626 6.207 -8.371 1.00 0.00 C ATOM 928 CD GLU A 61 1.656 4.893 -9.159 1.00 0.00 C ATOM 929 OE1 GLU A 61 2.392 4.812 -10.163 1.00 0.00 O ATOM 930 OE2 GLU A 61 0.936 3.947 -8.797 1.00 0.00 O ATOM 0 H GLU A 61 2.588 8.954 -8.489 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.351 9.090 -8.515 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.378 6.767 -8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.854 7.440 -9.951 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.620 6.654 -8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.392 5.990 -7.329 1.00 0.00 H new ATOM 937 N ILE A 62 1.468 8.571 -5.863 1.00 0.00 N ATOM 938 CA ILE A 62 1.444 8.498 -4.399 1.00 0.00 C ATOM 939 C ILE A 62 0.689 9.719 -3.836 1.00 0.00 C ATOM 940 O ILE A 62 1.121 10.865 -3.993 1.00 0.00 O ATOM 941 CB ILE A 62 2.891 8.421 -3.769 1.00 0.00 C ATOM 942 CG1 ILE A 62 3.678 7.200 -4.328 1.00 0.00 C ATOM 943 CG2 ILE A 62 2.824 8.349 -2.223 1.00 0.00 C ATOM 944 CD1 ILE A 62 5.090 7.023 -3.788 1.00 0.00 C ATOM 0 H ILE A 62 2.381 8.812 -6.249 1.00 0.00 H new ATOM 0 HA ILE A 62 0.930 7.577 -4.126 1.00 0.00 H new ATOM 0 HB ILE A 62 3.419 9.332 -4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.110 6.295 -4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.732 7.291 -5.413 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.834 8.297 -1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.324 9.238 -1.839 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.267 7.461 -1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.546 6.144 -4.243 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.684 7.905 -4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.052 6.893 -2.706 1.00 0.00 H new ATOM 956 N SER A 63 -0.454 9.441 -3.230 1.00 0.00 N ATOM 957 CA SER A 63 -1.298 10.414 -2.546 1.00 0.00 C ATOM 958 C SER A 63 -1.626 9.871 -1.142 1.00 0.00 C ATOM 959 O SER A 63 -1.252 8.736 -0.800 1.00 0.00 O ATOM 960 CB SER A 63 -2.586 10.630 -3.389 1.00 0.00 C ATOM 961 OG SER A 63 -3.504 11.504 -2.753 1.00 0.00 O ATOM 0 H SER A 63 -0.836 8.496 -3.199 1.00 0.00 H new ATOM 0 HA SER A 63 -0.794 11.374 -2.437 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.316 11.037 -4.364 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.067 9.668 -3.567 1.00 0.00 H new ATOM 0 HG SER A 63 -4.297 11.613 -3.318 1.00 0.00 H new ATOM 967 N ALA A 64 -2.323 10.682 -0.335 1.00 0.00 N ATOM 968 CA ALA A 64 -2.924 10.219 0.927 1.00 0.00 C ATOM 969 C ALA A 64 -4.048 9.206 0.624 1.00 0.00 C ATOM 970 O ALA A 64 -4.275 8.269 1.386 1.00 0.00 O ATOM 971 CB ALA A 64 -3.453 11.407 1.745 1.00 0.00 C ATOM 0 H ALA A 64 -2.486 11.669 -0.534 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.160 9.723 1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.893 11.042 2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.631 12.085 1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.211 11.937 1.168 1.00 0.00 H new ATOM 977 N GLN A 65 -4.697 9.385 -0.545 1.00 0.00 N ATOM 978 CA GLN A 65 -5.761 8.486 -1.035 1.00 0.00 C ATOM 979 C GLN A 65 -5.192 7.132 -1.511 1.00 0.00 C ATOM 980 O GLN A 65 -5.946 6.180 -1.707 1.00 0.00 O ATOM 981 CB GLN A 65 -6.571 9.171 -2.163 1.00 0.00 C ATOM 982 CG GLN A 65 -7.174 10.540 -1.778 1.00 0.00 C ATOM 983 CD GLN A 65 -7.989 10.510 -0.476 1.00 0.00 C ATOM 984 OE1 GLN A 65 -9.185 10.231 -0.483 1.00 0.00 O ATOM 985 NE2 GLN A 65 -7.354 10.841 0.641 1.00 0.00 N ATOM 0 H GLN A 65 -4.497 10.160 -1.177 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.431 8.280 -0.200 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.923 9.304 -3.029 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.378 8.506 -2.469 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.368 11.266 -1.675 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.814 10.887 -2.589 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.360 11.068 0.614 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.860 10.869 1.526 1.00 0.00 H new ATOM 994 N THR A 66 -3.859 7.055 -1.687 1.00 0.00 N ATOM 995 CA THR A 66 -3.160 5.794 -1.991 1.00 0.00 C ATOM 996 C THR A 66 -3.001 4.965 -0.699 1.00 0.00 C ATOM 997 O THR A 66 -3.023 3.738 -0.739 1.00 0.00 O ATOM 998 CB THR A 66 -1.756 6.086 -2.621 1.00 0.00 C ATOM 999 OG1 THR A 66 -1.917 6.931 -3.772 1.00 0.00 O ATOM 1000 CG2 THR A 66 -0.988 4.808 -3.021 1.00 0.00 C ATOM 0 H THR A 66 -3.239 7.863 -1.623 1.00 0.00 H new ATOM 0 HA THR A 66 -3.750 5.227 -2.711 1.00 0.00 H new ATOM 0 HB THR A 66 -1.161 6.583 -1.855 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.367 6.431 -4.485 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.024 5.082 -3.451 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.829 4.188 -2.139 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.568 4.250 -3.757 1.00 0.00 H new ATOM 1008 N PHE A 67 -2.846 5.665 0.450 1.00 0.00 N ATOM 1009 CA PHE A 67 -2.618 5.033 1.773 1.00 0.00 C ATOM 1010 C PHE A 67 -3.831 5.147 2.710 1.00 0.00 C ATOM 1011 O PHE A 67 -3.730 4.767 3.888 1.00 0.00 O ATOM 1012 CB PHE A 67 -1.354 5.644 2.443 1.00 0.00 C ATOM 1013 CG PHE A 67 -0.041 5.226 1.778 1.00 0.00 C ATOM 1014 CD1 PHE A 67 0.391 5.816 0.587 1.00 0.00 C ATOM 1015 CD2 PHE A 67 0.748 4.217 2.334 1.00 0.00 C ATOM 1016 CE1 PHE A 67 1.568 5.416 -0.019 1.00 0.00 C ATOM 1017 CE2 PHE A 67 1.922 3.818 1.724 1.00 0.00 C ATOM 1018 CZ PHE A 67 2.331 4.415 0.550 1.00 0.00 C ATOM 0 H PHE A 67 -2.875 6.684 0.486 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.463 3.969 1.596 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.432 6.731 2.421 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.330 5.347 3.492 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.203 6.596 0.133 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.437 3.742 3.253 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.890 5.886 -0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.521 3.037 2.168 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.248 4.100 0.075 1.00 0.00 H new ATOM 1028 N GLU A 68 -4.972 5.650 2.198 1.00 0.00 N ATOM 1029 CA GLU A 68 -6.179 5.868 3.031 1.00 0.00 C ATOM 1030 C GLU A 68 -6.742 4.526 3.555 1.00 0.00 C ATOM 1031 O GLU A 68 -7.159 4.435 4.708 1.00 0.00 O ATOM 1032 CB GLU A 68 -7.271 6.677 2.272 1.00 0.00 C ATOM 1033 CG GLU A 68 -7.920 5.956 1.074 1.00 0.00 C ATOM 1034 CD GLU A 68 -9.121 6.715 0.490 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -10.103 6.934 1.236 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -9.110 7.069 -0.702 1.00 0.00 O ATOM 0 H GLU A 68 -5.086 5.912 1.219 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.875 6.466 3.890 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.055 6.947 2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.828 7.607 1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.172 5.816 0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.243 4.963 1.387 1.00 0.00 H new ATOM 1043 N THR A 69 -6.744 3.486 2.691 1.00 0.00 N ATOM 1044 CA THR A 69 -7.141 2.112 3.062 1.00 0.00 C ATOM 1045 C THR A 69 -6.148 1.097 2.480 1.00 0.00 C ATOM 1046 O THR A 69 -5.367 1.422 1.568 1.00 0.00 O ATOM 1047 CB THR A 69 -8.585 1.755 2.556 1.00 0.00 C ATOM 1048 OG1 THR A 69 -8.677 1.970 1.139 1.00 0.00 O ATOM 1049 CG2 THR A 69 -9.684 2.561 3.268 1.00 0.00 C ATOM 0 H THR A 69 -6.469 3.578 1.713 1.00 0.00 H new ATOM 0 HA THR A 69 -7.137 2.065 4.151 1.00 0.00 H new ATOM 0 HB THR A 69 -8.749 0.703 2.791 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.580 1.744 0.832 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.659 2.271 2.877 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.648 2.359 4.338 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.525 3.625 3.094 1.00 0.00 H new ATOM 1057 N LEU A 70 -6.193 -0.138 3.011 1.00 0.00 N ATOM 1058 CA LEU A 70 -5.417 -1.272 2.479 1.00 0.00 C ATOM 1059 C LEU A 70 -5.829 -1.576 1.026 1.00 0.00 C ATOM 1060 O LEU A 70 -4.990 -1.949 0.201 1.00 0.00 O ATOM 1061 CB LEU A 70 -5.620 -2.535 3.352 1.00 0.00 C ATOM 1062 CG LEU A 70 -4.841 -3.807 2.873 1.00 0.00 C ATOM 1063 CD1 LEU A 70 -3.320 -3.612 2.984 1.00 0.00 C ATOM 1064 CD2 LEU A 70 -5.297 -5.074 3.617 1.00 0.00 C ATOM 0 H LEU A 70 -6.767 -0.377 3.819 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.363 -0.995 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.315 -2.305 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.684 -2.770 3.382 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.080 -3.948 1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.812 -4.514 2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.015 -2.768 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.053 -3.415 4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.732 -5.932 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.123 -4.951 4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.360 -5.238 3.439 1.00 0.00 H new ATOM 1076 N GLY A 71 -7.141 -1.403 0.746 1.00 0.00 N ATOM 1077 CA GLY A 71 -7.704 -1.600 -0.592 1.00 0.00 C ATOM 1078 C GLY A 71 -7.108 -0.655 -1.624 1.00 0.00 C ATOM 1079 O GLY A 71 -6.998 -1.009 -2.803 1.00 0.00 O ATOM 0 H GLY A 71 -7.830 -1.124 1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.532 -2.630 -0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.784 -1.455 -0.553 1.00 0.00 H new ATOM 1083 N SER A 72 -6.721 0.550 -1.159 1.00 0.00 N ATOM 1084 CA SER A 72 -6.067 1.563 -1.992 1.00 0.00 C ATOM 1085 C SER A 72 -4.659 1.094 -2.404 1.00 0.00 C ATOM 1086 O SER A 72 -4.350 1.072 -3.596 1.00 0.00 O ATOM 1087 CB SER A 72 -6.015 2.911 -1.246 1.00 0.00 C ATOM 1088 OG SER A 72 -7.303 3.321 -0.827 1.00 0.00 O ATOM 0 H SER A 72 -6.857 0.843 -0.191 1.00 0.00 H new ATOM 0 HA SER A 72 -6.649 1.704 -2.903 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.360 2.824 -0.379 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.583 3.672 -1.896 1.00 0.00 H new ATOM 0 HG SER A 72 -7.619 2.728 -0.114 1.00 0.00 H new ATOM 1094 N LEU A 73 -3.822 0.670 -1.413 1.00 0.00 N ATOM 1095 CA LEU A 73 -2.458 0.149 -1.701 1.00 0.00 C ATOM 1096 C LEU A 73 -2.523 -1.059 -2.624 1.00 0.00 C ATOM 1097 O LEU A 73 -1.771 -1.132 -3.587 1.00 0.00 O ATOM 1098 CB LEU A 73 -1.667 -0.270 -0.429 1.00 0.00 C ATOM 1099 CG LEU A 73 -1.068 0.858 0.450 1.00 0.00 C ATOM 1100 CD1 LEU A 73 -0.280 1.871 -0.402 1.00 0.00 C ATOM 1101 CD2 LEU A 73 -2.151 1.523 1.292 1.00 0.00 C ATOM 0 H LEU A 73 -4.066 0.679 -0.423 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.933 0.980 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.330 -0.867 0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.851 -0.922 -0.741 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.354 0.411 1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.128 2.650 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.535 1.360 -0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.945 2.322 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.707 2.311 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.908 1.954 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.614 0.780 1.942 1.00 0.00 H new ATOM 1113 N ALA A 74 -3.432 -1.998 -2.289 1.00 0.00 N ATOM 1114 CA ALA A 74 -3.661 -3.223 -3.061 1.00 0.00 C ATOM 1115 C ALA A 74 -3.918 -2.869 -4.529 1.00 0.00 C ATOM 1116 O ALA A 74 -3.204 -3.343 -5.385 1.00 0.00 O ATOM 1117 CB ALA A 74 -4.826 -4.031 -2.464 1.00 0.00 C ATOM 0 H ALA A 74 -4.030 -1.920 -1.466 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.771 -3.850 -3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.980 -4.936 -3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.591 -4.302 -1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.734 -3.428 -2.482 1.00 0.00 H new ATOM 1123 N LEU A 75 -4.853 -1.919 -4.756 1.00 0.00 N ATOM 1124 CA LEU A 75 -5.266 -1.447 -6.103 1.00 0.00 C ATOM 1125 C LEU A 75 -4.025 -0.979 -6.919 1.00 0.00 C ATOM 1126 O LEU A 75 -3.725 -1.520 -8.006 1.00 0.00 O ATOM 1127 CB LEU A 75 -6.315 -0.278 -5.947 1.00 0.00 C ATOM 1128 CG LEU A 75 -7.559 -0.295 -6.896 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -7.164 -0.193 -8.379 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -8.438 -1.533 -6.624 1.00 0.00 C ATOM 0 H LEU A 75 -5.351 -1.450 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.731 -2.268 -6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.676 -0.284 -4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.791 0.666 -6.095 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.150 0.594 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.062 -0.209 -8.997 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.624 0.738 -8.548 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.526 -1.036 -8.644 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.297 -1.524 -7.295 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.854 -2.438 -6.794 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.785 -1.513 -5.591 1.00 0.00 H new ATOM 1142 N PHE A 76 -3.286 -0.016 -6.328 1.00 0.00 N ATOM 1143 CA PHE A 76 -2.092 0.603 -6.941 1.00 0.00 C ATOM 1144 C PHE A 76 -1.022 -0.444 -7.302 1.00 0.00 C ATOM 1145 O PHE A 76 -0.622 -0.543 -8.463 1.00 0.00 O ATOM 1146 CB PHE A 76 -1.504 1.710 -6.005 1.00 0.00 C ATOM 1147 CG PHE A 76 -2.229 3.060 -6.111 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -3.490 3.259 -5.554 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -1.642 4.125 -6.789 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -4.139 4.471 -5.674 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -2.290 5.334 -6.911 1.00 0.00 C ATOM 1152 CZ PHE A 76 -3.534 5.511 -6.350 1.00 0.00 C ATOM 0 H PHE A 76 -3.504 0.357 -5.404 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.407 1.071 -7.874 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.551 1.363 -4.973 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.451 1.854 -6.245 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.968 2.451 -5.019 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.662 4.001 -7.226 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.119 4.605 -5.240 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.821 6.145 -7.448 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.036 6.463 -6.439 1.00 0.00 H new ATOM 1162 N VAL A 77 -0.607 -1.255 -6.313 1.00 0.00 N ATOM 1163 CA VAL A 77 0.469 -2.256 -6.488 1.00 0.00 C ATOM 1164 C VAL A 77 0.036 -3.399 -7.441 1.00 0.00 C ATOM 1165 O VAL A 77 0.883 -4.038 -8.060 1.00 0.00 O ATOM 1166 CB VAL A 77 1.002 -2.817 -5.111 1.00 0.00 C ATOM 1167 CG1 VAL A 77 1.464 -1.663 -4.180 1.00 0.00 C ATOM 1168 CG2 VAL A 77 -0.034 -3.707 -4.405 1.00 0.00 C ATOM 0 H VAL A 77 -1.003 -1.238 -5.373 1.00 0.00 H new ATOM 0 HA VAL A 77 1.305 -1.736 -6.957 1.00 0.00 H new ATOM 0 HB VAL A 77 1.864 -3.444 -5.337 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.826 -2.077 -3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.266 -1.105 -4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.625 -0.996 -3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.379 -4.069 -3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.936 -3.128 -4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.280 -4.556 -5.043 1.00 0.00 H new ATOM 1178 N GLU A 78 -1.289 -3.657 -7.547 1.00 0.00 N ATOM 1179 CA GLU A 78 -1.839 -4.590 -8.559 1.00 0.00 C ATOM 1180 C GLU A 78 -1.498 -4.091 -9.970 1.00 0.00 C ATOM 1181 O GLU A 78 -1.046 -4.872 -10.805 1.00 0.00 O ATOM 1182 CB GLU A 78 -3.375 -4.759 -8.426 1.00 0.00 C ATOM 1183 CG GLU A 78 -3.851 -5.563 -7.202 1.00 0.00 C ATOM 1184 CD GLU A 78 -3.594 -7.071 -7.236 1.00 0.00 C ATOM 1185 OE1 GLU A 78 -3.337 -7.636 -8.313 1.00 0.00 O ATOM 1186 OE2 GLU A 78 -3.712 -7.705 -6.175 1.00 0.00 O ATOM 0 H GLU A 78 -1.995 -3.233 -6.946 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.382 -5.564 -8.385 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.830 -3.769 -8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.748 -5.247 -9.326 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.367 -5.154 -6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.922 -5.402 -7.083 1.00 0.00 H new ATOM 1193 N HIS A 79 -1.719 -2.776 -10.217 1.00 0.00 N ATOM 1194 CA HIS A 79 -1.332 -2.138 -11.504 1.00 0.00 C ATOM 1195 C HIS A 79 0.188 -2.280 -11.748 1.00 0.00 C ATOM 1196 O HIS A 79 0.614 -2.772 -12.796 1.00 0.00 O ATOM 1197 CB HIS A 79 -1.715 -0.628 -11.549 1.00 0.00 C ATOM 1198 CG HIS A 79 -3.198 -0.351 -11.584 1.00 0.00 C ATOM 1199 ND1 HIS A 79 -3.939 -0.393 -12.739 1.00 0.00 N ATOM 1200 CD2 HIS A 79 -4.059 0.019 -10.613 1.00 0.00 C ATOM 1201 CE1 HIS A 79 -5.187 -0.075 -12.476 1.00 0.00 C ATOM 1202 NE2 HIS A 79 -5.291 0.181 -11.192 1.00 0.00 N ATOM 0 H HIS A 79 -2.158 -2.141 -9.551 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.884 -2.656 -12.288 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.288 -0.133 -10.677 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.255 -0.177 -12.428 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.576 -0.634 -13.661 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -3.821 0.162 -9.569 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.992 -0.032 -13.195 1.00 0.00 H new ATOM 1211 N LYS A 80 0.975 -1.899 -10.728 1.00 0.00 N ATOM 1212 CA LYS A 80 2.441 -1.766 -10.833 1.00 0.00 C ATOM 1213 C LYS A 80 3.139 -3.104 -11.134 1.00 0.00 C ATOM 1214 O LYS A 80 3.933 -3.204 -12.069 1.00 0.00 O ATOM 1215 CB LYS A 80 3.017 -1.153 -9.528 1.00 0.00 C ATOM 1216 CG LYS A 80 2.406 0.203 -9.103 1.00 0.00 C ATOM 1217 CD LYS A 80 2.494 1.276 -10.208 1.00 0.00 C ATOM 1218 CE LYS A 80 3.932 1.688 -10.552 1.00 0.00 C ATOM 1219 NZ LYS A 80 3.956 2.727 -11.612 1.00 0.00 N ATOM 0 H LYS A 80 0.612 -1.673 -9.802 1.00 0.00 H new ATOM 0 HA LYS A 80 2.639 -1.102 -11.675 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.872 -1.867 -8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.092 -1.024 -9.651 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.361 0.055 -8.830 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.920 0.564 -8.212 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.008 0.899 -11.108 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.938 2.158 -9.891 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.428 2.066 -9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.494 0.814 -10.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.941 2.985 -11.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.503 2.356 -12.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.440 3.569 -11.285 1.00 0.00 H new ATOM 1233 N LEU A 81 2.817 -4.131 -10.338 1.00 0.00 N ATOM 1234 CA LEU A 81 3.439 -5.470 -10.452 1.00 0.00 C ATOM 1235 C LEU A 81 2.923 -6.249 -11.681 1.00 0.00 C ATOM 1236 O LEU A 81 3.520 -7.263 -12.065 1.00 0.00 O ATOM 1237 CB LEU A 81 3.259 -6.298 -9.136 1.00 0.00 C ATOM 1238 CG LEU A 81 4.203 -5.935 -7.934 1.00 0.00 C ATOM 1239 CD1 LEU A 81 5.694 -6.042 -8.327 1.00 0.00 C ATOM 1240 CD2 LEU A 81 3.880 -4.554 -7.332 1.00 0.00 C ATOM 0 H LEU A 81 2.120 -4.065 -9.596 1.00 0.00 H new ATOM 0 HA LEU A 81 4.507 -5.311 -10.602 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.227 -6.186 -8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.404 -7.351 -9.375 1.00 0.00 H new ATOM 0 HG LEU A 81 4.012 -6.673 -7.155 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.316 -5.783 -7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.915 -7.062 -8.641 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.904 -5.356 -9.148 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.560 -4.350 -6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.999 -3.787 -8.097 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.853 -4.547 -6.968 1.00 0.00 H new ATOM 1252 N SER A 82 1.818 -5.779 -12.296 1.00 0.00 N ATOM 1253 CA SER A 82 1.316 -6.335 -13.572 1.00 0.00 C ATOM 1254 C SER A 82 1.938 -5.610 -14.793 1.00 0.00 C ATOM 1255 O SER A 82 1.629 -5.947 -15.945 1.00 0.00 O ATOM 1256 CB SER A 82 -0.218 -6.240 -13.611 1.00 0.00 C ATOM 1257 OG SER A 82 -0.810 -7.037 -12.595 1.00 0.00 O ATOM 0 H SER A 82 1.254 -5.013 -11.929 1.00 0.00 H new ATOM 0 HA SER A 82 1.614 -7.382 -13.629 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.524 -5.201 -13.486 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.580 -6.563 -14.587 1.00 0.00 H new ATOM 0 HG SER A 82 -1.000 -6.480 -11.811 1.00 0.00 H new