USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 hydrogens (21 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 THR OG1 : rot 180:sc= 0.771 USER MOD Set 1.2: A 72 SER OG : rot 80:sc= 0.876 USER MOD Single : A 1 MET CE :methyl -147:sc= 0 (180deg=-0.671) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.21 (180deg=0.535) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.0632 F(o=-1.1,f=-0.063) USER MOD Single : A 3 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.24) USER MOD Single : A 9 ASN : amide:sc= -0.0811 X(o=-0.081,f=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 21 LYS NZ :NH3+ 155:sc= -1.85! (180deg=-2.18!) USER MOD Single : A 22 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.0087) USER MOD Single : A 23 THR OG1 : rot -37:sc= 0.233 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 28 SER OG : rot 110:sc= -0.32 USER MOD Single : A 33 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.36) 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=-0.67) USER MOD Single : A 47 THR OG1 : rot 77:sc= 0.712 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.021 USER MOD Single : A 65 GLN : amide:sc=-0.00834 X(o=-0.0083,f=-0.0083) USER MOD Single : A 66 THR OG1 : rot -109:sc= 0.88 USER MOD Single : A 79 HIS : no HE2:sc= -0.646 K(o=-0.65,f=-1.8) USER MOD Single : A 80 LYS NZ :NH3+ 170:sc= 0.425 (180deg=0.385) USER MOD Single : A 82 SER OG : rot 100:sc= 0.755 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 PNS O33 : rot 180:sc= 0 USER MOD Single : A 84 PNS S44 : rot 1:sc= 0.434 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.862 -8.088 -4.265 1.00 0.00 N ATOM 2 CA MET A 1 -7.426 -7.745 -4.139 1.00 0.00 C ATOM 3 C MET A 1 -6.584 -9.017 -3.996 1.00 0.00 C ATOM 4 O MET A 1 -6.996 -9.975 -3.333 1.00 0.00 O ATOM 5 CB MET A 1 -7.181 -6.811 -2.924 1.00 0.00 C ATOM 6 CG MET A 1 -7.849 -5.441 -3.024 1.00 0.00 C ATOM 7 SD MET A 1 -9.657 -5.549 -2.946 1.00 0.00 S ATOM 8 CE MET A 1 -10.154 -3.830 -2.824 1.00 0.00 C ATOM 0 H1 MET A 1 -9.439 -7.248 -4.057 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.058 -8.411 -5.234 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.098 -8.846 -3.593 1.00 0.00 H new ATOM 0 HA MET A 1 -7.126 -7.218 -5.045 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.539 -7.309 -2.023 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.107 -6.668 -2.804 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.490 -4.805 -2.215 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.556 -4.964 -3.959 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.056 -3.754 -2.216 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.354 -3.252 -2.360 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.354 -3.438 -3.821 1.00 0.00 H new ATOM 18 N GLN A 2 -5.412 -9.028 -4.653 1.00 0.00 N ATOM 19 CA GLN A 2 -4.399 -10.092 -4.499 1.00 0.00 C ATOM 20 C GLN A 2 -3.284 -9.659 -3.528 1.00 0.00 C ATOM 21 O GLN A 2 -2.966 -10.381 -2.578 1.00 0.00 O ATOM 22 CB GLN A 2 -3.793 -10.512 -5.871 1.00 0.00 C ATOM 23 CG GLN A 2 -3.259 -9.349 -6.739 1.00 0.00 C ATOM 24 CD GLN A 2 -2.178 -9.749 -7.748 1.00 0.00 C ATOM 25 OE1 GLN A 2 -1.299 -10.663 -7.358 1.00 0.00 O flip ATOM 26 NE2 GLN A 2 -2.089 -9.187 -8.836 1.00 0.00 N flip ATOM 0 H GLN A 2 -5.137 -8.297 -5.309 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.906 -10.960 -4.078 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.978 -11.213 -5.691 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.555 -11.047 -6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.094 -8.903 -7.279 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.856 -8.578 -6.082 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.781 -8.488 -9.107 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.323 -9.419 -9.469 1.00 0.00 H new ATOM 35 N HIS A 3 -2.703 -8.456 -3.764 1.00 0.00 N ATOM 36 CA HIS A 3 -1.500 -7.988 -3.041 1.00 0.00 C ATOM 37 C HIS A 3 -1.832 -7.381 -1.672 1.00 0.00 C ATOM 38 O HIS A 3 -0.910 -6.980 -0.968 1.00 0.00 O ATOM 39 CB HIS A 3 -0.671 -6.976 -3.884 1.00 0.00 C ATOM 40 CG HIS A 3 0.116 -7.583 -5.021 1.00 0.00 C ATOM 41 ND1 HIS A 3 0.783 -8.784 -4.918 1.00 0.00 N ATOM 42 CD2 HIS A 3 0.368 -7.134 -6.275 1.00 0.00 C ATOM 43 CE1 HIS A 3 1.396 -9.045 -6.052 1.00 0.00 C ATOM 44 NE2 HIS A 3 1.163 -8.058 -6.891 1.00 0.00 N ATOM 0 H HIS A 3 -3.053 -7.791 -4.454 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.894 -8.878 -2.873 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.348 -6.226 -4.291 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.020 -6.455 -3.221 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.006 -6.213 -6.708 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.991 -9.922 -6.260 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.518 -7.994 -7.845 1.00 0.00 H new ATOM 53 N LEU A 4 -3.133 -7.349 -1.292 1.00 0.00 N ATOM 54 CA LEU A 4 -3.581 -6.798 0.017 1.00 0.00 C ATOM 55 C LEU A 4 -2.863 -7.482 1.203 1.00 0.00 C ATOM 56 O LEU A 4 -2.573 -6.825 2.206 1.00 0.00 O ATOM 57 CB LEU A 4 -5.132 -6.909 0.221 1.00 0.00 C ATOM 58 CG LEU A 4 -5.709 -8.296 0.694 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.185 -8.185 1.118 1.00 0.00 C ATOM 60 CD2 LEU A 4 -5.532 -9.400 -0.374 1.00 0.00 C ATOM 0 H LEU A 4 -3.895 -7.699 -1.873 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.313 -5.742 -0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.429 -6.155 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.614 -6.649 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.126 -8.587 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.546 -9.162 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.274 -7.478 1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.781 -7.836 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.945 -10.337 -0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.054 -9.111 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.472 -9.532 -0.589 1.00 0.00 H new ATOM 72 N GLU A 5 -2.576 -8.803 1.054 1.00 0.00 N ATOM 73 CA GLU A 5 -1.956 -9.612 2.114 1.00 0.00 C ATOM 74 C GLU A 5 -0.506 -9.172 2.350 1.00 0.00 C ATOM 75 O GLU A 5 -0.096 -8.989 3.492 1.00 0.00 O ATOM 76 CB GLU A 5 -2.023 -11.133 1.788 1.00 0.00 C ATOM 77 CG GLU A 5 -1.278 -12.065 2.788 1.00 0.00 C ATOM 78 CD GLU A 5 -1.832 -12.029 4.231 1.00 0.00 C ATOM 79 OE1 GLU A 5 -1.399 -11.172 5.042 1.00 0.00 O ATOM 80 OE2 GLU A 5 -2.720 -12.839 4.558 1.00 0.00 O ATOM 0 H GLU A 5 -2.770 -9.324 0.199 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.523 -9.447 3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.070 -11.433 1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.609 -11.292 0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.329 -13.089 2.418 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.225 -11.786 2.809 1.00 0.00 H new ATOM 87 N ALA A 6 0.238 -8.971 1.256 1.00 0.00 N ATOM 88 CA ALA A 6 1.654 -8.578 1.309 1.00 0.00 C ATOM 89 C ALA A 6 1.806 -7.128 1.794 1.00 0.00 C ATOM 90 O ALA A 6 2.756 -6.811 2.507 1.00 0.00 O ATOM 91 CB ALA A 6 2.315 -8.783 -0.054 1.00 0.00 C ATOM 0 H ALA A 6 -0.123 -9.076 0.308 1.00 0.00 H new ATOM 0 HA ALA A 6 2.163 -9.217 2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.363 -8.488 0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.249 -9.834 -0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.806 -8.174 -0.801 1.00 0.00 H new ATOM 97 N VAL A 7 0.834 -6.270 1.434 1.00 0.00 N ATOM 98 CA VAL A 7 0.807 -4.870 1.869 1.00 0.00 C ATOM 99 C VAL A 7 0.574 -4.801 3.400 1.00 0.00 C ATOM 100 O VAL A 7 1.352 -4.171 4.109 1.00 0.00 O ATOM 101 CB VAL A 7 -0.285 -4.034 1.096 1.00 0.00 C ATOM 102 CG1 VAL A 7 -0.391 -2.605 1.666 1.00 0.00 C ATOM 103 CG2 VAL A 7 0.005 -3.979 -0.424 1.00 0.00 C ATOM 0 H VAL A 7 0.050 -6.531 0.836 1.00 0.00 H new ATOM 0 HA VAL A 7 1.773 -4.424 1.633 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.238 -4.542 1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.150 -2.049 1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.668 -2.653 2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.570 -2.101 1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.769 -3.395 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.976 -3.513 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.013 -4.991 -0.830 1.00 0.00 H new ATOM 113 N ARG A 8 -0.461 -5.526 3.896 1.00 0.00 N ATOM 114 CA ARG A 8 -0.819 -5.553 5.345 1.00 0.00 C ATOM 115 C ARG A 8 0.232 -6.322 6.153 1.00 0.00 C ATOM 116 O ARG A 8 0.301 -6.176 7.363 1.00 0.00 O ATOM 117 CB ARG A 8 -2.232 -6.149 5.604 1.00 0.00 C ATOM 118 CG ARG A 8 -2.388 -7.643 5.264 1.00 0.00 C ATOM 119 CD ARG A 8 -3.833 -8.140 5.400 1.00 0.00 C ATOM 120 NE ARG A 8 -3.998 -9.517 4.920 1.00 0.00 N ATOM 121 CZ ARG A 8 -5.172 -10.123 4.678 1.00 0.00 C ATOM 122 NH1 ARG A 8 -6.325 -9.531 4.966 1.00 0.00 N ATOM 123 NH2 ARG A 8 -5.186 -11.343 4.180 1.00 0.00 N ATOM 0 H ARG A 8 -1.067 -6.104 3.313 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.839 -4.515 5.677 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.482 -6.004 6.655 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.959 -5.583 5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.044 -7.816 4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.745 -8.229 5.921 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.137 -8.083 6.445 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.496 -7.481 4.839 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.150 -10.059 4.756 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.330 -8.598 5.379 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.206 -10.009 4.774 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.308 -11.822 3.980 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.075 -11.808 3.994 1.00 0.00 H new ATOM 137 N ASN A 9 0.987 -7.198 5.472 1.00 0.00 N ATOM 138 CA ASN A 9 2.131 -7.907 6.054 1.00 0.00 C ATOM 139 C ASN A 9 3.230 -6.899 6.417 1.00 0.00 C ATOM 140 O ASN A 9 3.689 -6.847 7.563 1.00 0.00 O ATOM 141 CB ASN A 9 2.643 -8.977 5.049 1.00 0.00 C ATOM 142 CG ASN A 9 4.031 -9.546 5.356 1.00 0.00 C ATOM 143 OD1 ASN A 9 4.180 -10.466 6.157 1.00 0.00 O ATOM 144 ND2 ASN A 9 5.053 -9.016 4.695 1.00 0.00 N ATOM 0 H ASN A 9 0.817 -7.434 4.494 1.00 0.00 H new ATOM 0 HA ASN A 9 1.831 -8.419 6.968 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.928 -9.799 5.023 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.660 -8.537 4.052 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.997 -9.372 4.845 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.894 -8.253 4.037 1.00 0.00 H new ATOM 151 N ILE A 10 3.601 -6.082 5.421 1.00 0.00 N ATOM 152 CA ILE A 10 4.636 -5.047 5.557 1.00 0.00 C ATOM 153 C ILE A 10 4.202 -3.962 6.564 1.00 0.00 C ATOM 154 O ILE A 10 4.992 -3.561 7.408 1.00 0.00 O ATOM 155 CB ILE A 10 4.975 -4.415 4.154 1.00 0.00 C ATOM 156 CG1 ILE A 10 5.575 -5.506 3.196 1.00 0.00 C ATOM 157 CG2 ILE A 10 5.937 -3.211 4.293 1.00 0.00 C ATOM 158 CD1 ILE A 10 5.792 -5.046 1.762 1.00 0.00 C ATOM 0 H ILE A 10 3.187 -6.121 4.490 1.00 0.00 H new ATOM 0 HA ILE A 10 5.540 -5.517 5.944 1.00 0.00 H new ATOM 0 HB ILE A 10 4.048 -4.042 3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.529 -5.842 3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.909 -6.369 3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.150 -2.799 3.306 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.473 -2.444 4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.867 -3.540 4.757 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.208 -5.865 1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.839 -4.739 1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.484 -4.204 1.751 1.00 0.00 H new ATOM 170 N LEU A 11 2.942 -3.507 6.469 1.00 0.00 N ATOM 171 CA LEU A 11 2.353 -2.539 7.426 1.00 0.00 C ATOM 172 C LEU A 11 2.290 -3.153 8.834 1.00 0.00 C ATOM 173 O LEU A 11 2.638 -2.522 9.830 1.00 0.00 O ATOM 174 CB LEU A 11 0.923 -2.140 6.974 1.00 0.00 C ATOM 175 CG LEU A 11 0.807 -1.407 5.601 1.00 0.00 C ATOM 176 CD1 LEU A 11 -0.656 -1.367 5.131 1.00 0.00 C ATOM 177 CD2 LEU A 11 1.414 0.014 5.657 1.00 0.00 C ATOM 0 H LEU A 11 2.300 -3.795 5.731 1.00 0.00 H new ATOM 0 HA LEU A 11 2.985 -1.651 7.449 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.314 -3.043 6.931 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.489 -1.499 7.741 1.00 0.00 H new ATOM 0 HG LEU A 11 1.386 -1.975 4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.716 -0.852 4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.031 -2.385 5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.260 -0.836 5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.314 0.491 4.682 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.888 0.605 6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.469 -0.051 5.922 1.00 0.00 H new ATOM 189 N GLY A 12 1.852 -4.415 8.873 1.00 0.00 N ATOM 190 CA GLY A 12 1.718 -5.178 10.109 1.00 0.00 C ATOM 191 C GLY A 12 3.041 -5.483 10.779 1.00 0.00 C ATOM 192 O GLY A 12 3.073 -5.840 11.963 1.00 0.00 O ATOM 0 H GLY A 12 1.580 -4.936 8.039 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.088 -4.622 10.803 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.205 -6.115 9.894 1.00 0.00 H new ATOM 196 N ASP A 13 4.132 -5.390 10.003 1.00 0.00 N ATOM 197 CA ASP A 13 5.494 -5.578 10.507 1.00 0.00 C ATOM 198 C ASP A 13 6.100 -4.230 10.969 1.00 0.00 C ATOM 199 O ASP A 13 6.542 -4.104 12.113 1.00 0.00 O ATOM 200 CB ASP A 13 6.370 -6.227 9.402 1.00 0.00 C ATOM 201 CG ASP A 13 7.743 -6.677 9.923 1.00 0.00 C ATOM 202 OD1 ASP A 13 7.804 -7.709 10.632 1.00 0.00 O ATOM 203 OD2 ASP A 13 8.758 -5.999 9.644 1.00 0.00 O ATOM 0 H ASP A 13 4.090 -5.181 9.005 1.00 0.00 H new ATOM 0 HA ASP A 13 5.465 -6.241 11.372 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.845 -7.086 8.985 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.510 -5.514 8.589 1.00 0.00 H new ATOM 208 N VAL A 14 6.062 -3.217 10.073 1.00 0.00 N ATOM 209 CA VAL A 14 6.721 -1.906 10.277 1.00 0.00 C ATOM 210 C VAL A 14 6.028 -1.114 11.403 1.00 0.00 C ATOM 211 O VAL A 14 6.697 -0.585 12.294 1.00 0.00 O ATOM 212 CB VAL A 14 6.765 -1.057 8.942 1.00 0.00 C ATOM 213 CG1 VAL A 14 7.339 0.368 9.175 1.00 0.00 C ATOM 214 CG2 VAL A 14 7.571 -1.792 7.834 1.00 0.00 C ATOM 0 H VAL A 14 5.570 -3.287 9.182 1.00 0.00 H new ATOM 0 HA VAL A 14 7.751 -2.102 10.575 1.00 0.00 H new ATOM 0 HB VAL A 14 5.734 -0.947 8.605 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.350 0.914 8.232 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.715 0.899 9.894 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.355 0.292 9.563 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.583 -1.184 6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.593 -1.955 8.175 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.102 -2.752 7.619 1.00 0.00 H new ATOM 224 N LEU A 15 4.685 -1.051 11.360 1.00 0.00 N ATOM 225 CA LEU A 15 3.879 -0.394 12.415 1.00 0.00 C ATOM 226 C LEU A 15 3.632 -1.355 13.592 1.00 0.00 C ATOM 227 O LEU A 15 3.195 -0.914 14.662 1.00 0.00 O ATOM 228 CB LEU A 15 2.519 0.130 11.872 1.00 0.00 C ATOM 229 CG LEU A 15 2.560 1.257 10.786 1.00 0.00 C ATOM 230 CD1 LEU A 15 3.643 2.297 11.102 1.00 0.00 C ATOM 231 CD2 LEU A 15 2.714 0.692 9.361 1.00 0.00 C ATOM 0 H LEU A 15 4.129 -1.448 10.603 1.00 0.00 H new ATOM 0 HA LEU A 15 4.455 0.464 12.763 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.974 -0.718 11.457 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.939 0.499 12.718 1.00 0.00 H new ATOM 0 HG LEU A 15 1.595 1.763 10.817 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.646 3.066 10.329 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.436 2.755 12.069 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.618 1.810 11.132 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.737 1.513 8.645 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.642 0.125 9.293 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.872 0.038 9.136 1.00 0.00 H new ATOM 243 N ASN A 16 3.899 -2.663 13.360 1.00 0.00 N ATOM 244 CA ASN A 16 3.758 -3.733 14.363 1.00 0.00 C ATOM 245 C ASN A 16 2.285 -3.868 14.797 1.00 0.00 C ATOM 246 O ASN A 16 1.913 -3.590 15.939 1.00 0.00 O ATOM 247 CB ASN A 16 4.742 -3.542 15.566 1.00 0.00 C ATOM 248 CG ASN A 16 4.754 -4.720 16.559 1.00 0.00 C ATOM 249 OD1 ASN A 16 4.018 -4.733 17.550 1.00 0.00 O ATOM 250 ND2 ASN A 16 5.600 -5.709 16.303 1.00 0.00 N ATOM 0 H ASN A 16 4.223 -3.004 12.455 1.00 0.00 H new ATOM 0 HA ASN A 16 4.046 -4.679 13.904 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.750 -3.397 15.178 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.473 -2.632 16.101 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.655 -6.509 16.933 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.195 -5.670 15.476 1.00 0.00 H new ATOM 257 N LEU A 17 1.437 -4.223 13.818 1.00 0.00 N ATOM 258 CA LEU A 17 0.027 -4.595 14.062 1.00 0.00 C ATOM 259 C LEU A 17 -0.023 -5.984 14.719 1.00 0.00 C ATOM 260 O LEU A 17 -0.886 -6.249 15.560 1.00 0.00 O ATOM 261 CB LEU A 17 -0.805 -4.588 12.737 1.00 0.00 C ATOM 262 CG LEU A 17 -1.307 -3.197 12.210 1.00 0.00 C ATOM 263 CD1 LEU A 17 -0.157 -2.206 11.968 1.00 0.00 C ATOM 264 CD2 LEU A 17 -2.165 -3.362 10.929 1.00 0.00 C ATOM 0 H LEU A 17 1.706 -4.261 12.835 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.417 -3.856 14.729 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.199 -5.046 11.956 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.675 -5.228 12.882 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.932 -2.775 12.997 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.561 -1.261 11.604 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.379 -2.036 12.902 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.528 -2.617 11.226 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.499 -2.383 10.586 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.568 -3.835 10.149 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.032 -3.984 11.150 1.00 0.00 H new ATOM 276 N GLY A 18 0.934 -6.853 14.320 1.00 0.00 N ATOM 277 CA GLY A 18 1.018 -8.222 14.819 1.00 0.00 C ATOM 278 C GLY A 18 -0.154 -9.082 14.358 1.00 0.00 C ATOM 279 O GLY A 18 -0.128 -9.624 13.255 1.00 0.00 O ATOM 0 H GLY A 18 1.661 -6.615 13.646 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.951 -8.673 14.480 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.048 -8.207 15.908 1.00 0.00 H new ATOM 283 N GLU A 19 -1.193 -9.180 15.194 1.00 0.00 N ATOM 284 CA GLU A 19 -2.412 -9.956 14.892 1.00 0.00 C ATOM 285 C GLU A 19 -3.485 -9.053 14.244 1.00 0.00 C ATOM 286 O GLU A 19 -4.415 -9.545 13.593 1.00 0.00 O ATOM 287 CB GLU A 19 -2.946 -10.606 16.200 1.00 0.00 C ATOM 288 CG GLU A 19 -4.110 -11.605 15.998 1.00 0.00 C ATOM 289 CD GLU A 19 -4.619 -12.239 17.306 1.00 0.00 C ATOM 290 OE1 GLU A 19 -4.095 -13.303 17.710 1.00 0.00 O ATOM 291 OE2 GLU A 19 -5.543 -11.683 17.931 1.00 0.00 O ATOM 0 H GLU A 19 -1.217 -8.723 16.105 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.170 -10.744 14.179 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.124 -11.123 16.695 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.277 -9.815 16.874 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.937 -11.091 15.509 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.784 -12.397 15.324 1.00 0.00 H new ATOM 298 N ARG A 20 -3.336 -7.721 14.405 1.00 0.00 N ATOM 299 CA ARG A 20 -4.305 -6.736 13.870 1.00 0.00 C ATOM 300 C ARG A 20 -4.304 -6.772 12.318 1.00 0.00 C ATOM 301 O ARG A 20 -5.348 -6.584 11.702 1.00 0.00 O ATOM 302 CB ARG A 20 -4.018 -5.312 14.456 1.00 0.00 C ATOM 303 CG ARG A 20 -5.214 -4.312 14.464 1.00 0.00 C ATOM 304 CD ARG A 20 -5.516 -3.653 13.109 1.00 0.00 C ATOM 305 NE ARG A 20 -6.713 -2.792 13.172 1.00 0.00 N ATOM 306 CZ ARG A 20 -6.750 -1.537 13.656 1.00 0.00 C ATOM 307 NH1 ARG A 20 -5.646 -0.938 14.062 1.00 0.00 N ATOM 308 NH2 ARG A 20 -7.891 -0.878 13.697 1.00 0.00 N ATOM 0 H ARG A 20 -2.551 -7.300 14.903 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.313 -7.002 14.188 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.664 -5.429 15.480 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.203 -4.866 13.886 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.106 -4.838 14.802 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.009 -3.529 15.195 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.658 -3.059 12.794 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.663 -4.425 12.354 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.587 -3.182 12.818 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.752 -1.427 14.011 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.687 0.014 14.427 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.747 -1.319 13.362 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.918 0.073 14.064 1.00 0.00 H new ATOM 322 N LYS A 21 -3.139 -7.085 11.702 1.00 0.00 N ATOM 323 CA LYS A 21 -3.029 -7.260 10.229 1.00 0.00 C ATOM 324 C LYS A 21 -3.747 -8.543 9.747 1.00 0.00 C ATOM 325 O LYS A 21 -4.151 -8.623 8.584 1.00 0.00 O ATOM 326 CB LYS A 21 -1.558 -7.281 9.761 1.00 0.00 C ATOM 327 CG LYS A 21 -0.671 -8.337 10.460 1.00 0.00 C ATOM 328 CD LYS A 21 0.521 -8.824 9.596 1.00 0.00 C ATOM 329 CE LYS A 21 0.153 -9.975 8.630 1.00 0.00 C ATOM 330 NZ LYS A 21 -0.738 -9.554 7.510 1.00 0.00 N ATOM 0 H LYS A 21 -2.260 -7.222 12.201 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.523 -6.397 9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.536 -7.462 8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.124 -6.295 9.927 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.286 -7.917 11.389 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.287 -9.195 10.729 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.907 -7.985 9.018 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.325 -9.155 10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.069 -10.397 8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.337 -10.769 9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.612 -10.199 6.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.729 -9.583 7.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.496 -8.585 7.219 1.00 0.00 H new ATOM 344 N HIS A 22 -3.867 -9.544 10.637 1.00 0.00 N ATOM 345 CA HIS A 22 -4.601 -10.791 10.346 1.00 0.00 C ATOM 346 C HIS A 22 -6.109 -10.493 10.284 1.00 0.00 C ATOM 347 O HIS A 22 -6.794 -10.880 9.333 1.00 0.00 O ATOM 348 CB HIS A 22 -4.291 -11.857 11.443 1.00 0.00 C ATOM 349 CG HIS A 22 -5.012 -13.196 11.328 1.00 0.00 C ATOM 350 ND1 HIS A 22 -4.343 -14.393 11.273 1.00 0.00 N ATOM 351 CD2 HIS A 22 -6.334 -13.525 11.345 1.00 0.00 C ATOM 352 CE1 HIS A 22 -5.208 -15.386 11.252 1.00 0.00 C ATOM 353 NE2 HIS A 22 -6.420 -14.884 11.297 1.00 0.00 N ATOM 0 H HIS A 22 -3.461 -9.513 11.572 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.282 -11.189 9.383 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.218 -12.048 11.437 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.532 -11.424 12.414 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.163 -12.834 11.389 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -4.962 -16.436 11.206 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -7.286 -15.424 11.296 1.00 0.00 H new ATOM 362 N THR A 23 -6.594 -9.771 11.309 1.00 0.00 N ATOM 363 CA THR A 23 -8.036 -9.603 11.574 1.00 0.00 C ATOM 364 C THR A 23 -8.702 -8.579 10.630 1.00 0.00 C ATOM 365 O THR A 23 -9.930 -8.438 10.637 1.00 0.00 O ATOM 366 CB THR A 23 -8.290 -9.214 13.075 1.00 0.00 C ATOM 367 OG1 THR A 23 -9.681 -9.355 13.399 1.00 0.00 O ATOM 368 CG2 THR A 23 -7.842 -7.783 13.408 1.00 0.00 C ATOM 0 H THR A 23 -5.997 -9.286 11.979 1.00 0.00 H new ATOM 0 HA THR A 23 -8.501 -10.568 11.375 1.00 0.00 H new ATOM 0 HB THR A 23 -7.688 -9.898 13.673 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.225 -9.076 12.633 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.043 -7.574 14.459 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.774 -7.682 13.216 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.390 -7.076 12.786 1.00 0.00 H new ATOM 376 N LEU A 24 -7.898 -7.872 9.811 1.00 0.00 N ATOM 377 CA LEU A 24 -8.413 -6.854 8.870 1.00 0.00 C ATOM 378 C LEU A 24 -8.441 -7.393 7.428 1.00 0.00 C ATOM 379 O LEU A 24 -7.688 -8.308 7.084 1.00 0.00 O ATOM 380 CB LEU A 24 -7.607 -5.517 8.992 1.00 0.00 C ATOM 381 CG LEU A 24 -6.049 -5.521 8.774 1.00 0.00 C ATOM 382 CD1 LEU A 24 -5.642 -5.681 7.301 1.00 0.00 C ATOM 383 CD2 LEU A 24 -5.401 -4.246 9.367 1.00 0.00 C ATOM 0 H LEU A 24 -6.885 -7.987 9.782 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.444 -6.629 9.141 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.034 -4.814 8.277 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.795 -5.113 9.987 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.676 -6.397 9.305 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.555 -5.676 7.221 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.029 -6.625 6.917 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.053 -4.856 6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.324 -4.275 9.202 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.819 -3.365 8.880 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.603 -4.199 10.437 1.00 0.00 H new ATOM 395 N THR A 25 -9.297 -6.779 6.596 1.00 0.00 N ATOM 396 CA THR A 25 -9.448 -7.109 5.162 1.00 0.00 C ATOM 397 C THR A 25 -8.993 -5.906 4.306 1.00 0.00 C ATOM 398 O THR A 25 -8.409 -4.957 4.839 1.00 0.00 O ATOM 399 CB THR A 25 -10.942 -7.481 4.840 1.00 0.00 C ATOM 400 OG1 THR A 25 -11.808 -6.385 5.190 1.00 0.00 O ATOM 401 CG2 THR A 25 -11.398 -8.753 5.579 1.00 0.00 C ATOM 0 H THR A 25 -9.915 -6.027 6.901 1.00 0.00 H new ATOM 0 HA THR A 25 -8.825 -7.971 4.925 1.00 0.00 H new ATOM 0 HB THR A 25 -11.002 -7.679 3.770 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.736 -6.623 4.985 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.436 -8.969 5.325 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.769 -9.592 5.281 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.312 -8.599 6.655 1.00 0.00 H new ATOM 409 N ALA A 26 -9.264 -5.948 2.983 1.00 0.00 N ATOM 410 CA ALA A 26 -8.994 -4.818 2.065 1.00 0.00 C ATOM 411 C ALA A 26 -9.788 -3.560 2.474 1.00 0.00 C ATOM 412 O ALA A 26 -9.324 -2.432 2.277 1.00 0.00 O ATOM 413 CB ALA A 26 -9.327 -5.216 0.618 1.00 0.00 C ATOM 0 H ALA A 26 -9.674 -6.761 2.523 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.933 -4.578 2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.124 -4.376 -0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.713 -6.068 0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.380 -5.487 0.548 1.00 0.00 H new ATOM 419 N SER A 27 -10.966 -3.780 3.084 1.00 0.00 N ATOM 420 CA SER A 27 -11.868 -2.706 3.540 1.00 0.00 C ATOM 421 C SER A 27 -11.299 -1.913 4.749 1.00 0.00 C ATOM 422 O SER A 27 -11.822 -0.851 5.088 1.00 0.00 O ATOM 423 CB SER A 27 -13.228 -3.326 3.897 1.00 0.00 C ATOM 424 OG SER A 27 -13.748 -4.082 2.812 1.00 0.00 O ATOM 0 H SER A 27 -11.322 -4.716 3.276 1.00 0.00 H new ATOM 0 HA SER A 27 -11.975 -1.987 2.728 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.120 -3.967 4.772 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.931 -2.537 4.165 1.00 0.00 H new ATOM 0 HG SER A 27 -14.613 -4.467 3.066 1.00 0.00 H new ATOM 430 N SER A 28 -10.232 -2.441 5.387 1.00 0.00 N ATOM 431 CA SER A 28 -9.579 -1.819 6.560 1.00 0.00 C ATOM 432 C SER A 28 -9.055 -0.414 6.243 1.00 0.00 C ATOM 433 O SER A 28 -8.415 -0.222 5.224 1.00 0.00 O ATOM 434 CB SER A 28 -8.392 -2.683 7.017 1.00 0.00 C ATOM 435 OG SER A 28 -7.707 -2.120 8.130 1.00 0.00 O ATOM 0 H SER A 28 -9.796 -3.318 5.100 1.00 0.00 H new ATOM 0 HA SER A 28 -10.331 -1.746 7.346 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.751 -3.678 7.280 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.694 -2.805 6.188 1.00 0.00 H new ATOM 0 HG SER A 28 -7.873 -2.666 8.927 1.00 0.00 H new ATOM 441 N VAL A 29 -9.314 0.537 7.145 1.00 0.00 N ATOM 442 CA VAL A 29 -8.750 1.892 7.070 1.00 0.00 C ATOM 443 C VAL A 29 -7.340 1.877 7.694 1.00 0.00 C ATOM 444 O VAL A 29 -7.077 1.097 8.619 1.00 0.00 O ATOM 445 CB VAL A 29 -9.687 2.918 7.807 1.00 0.00 C ATOM 446 CG1 VAL A 29 -9.132 4.365 7.770 1.00 0.00 C ATOM 447 CG2 VAL A 29 -11.120 2.855 7.233 1.00 0.00 C ATOM 0 H VAL A 29 -9.922 0.391 7.951 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.677 2.207 6.029 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.719 2.626 8.857 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.818 5.031 8.293 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.157 4.393 8.257 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.030 4.689 6.734 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.753 3.572 7.756 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.097 3.098 6.171 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.522 1.851 7.367 1.00 0.00 H new ATOM 457 N LEU A 30 -6.422 2.700 7.156 1.00 0.00 N ATOM 458 CA LEU A 30 -5.036 2.804 7.668 1.00 0.00 C ATOM 459 C LEU A 30 -4.780 4.202 8.262 1.00 0.00 C ATOM 460 O LEU A 30 -4.672 4.348 9.482 1.00 0.00 O ATOM 461 CB LEU A 30 -4.027 2.470 6.546 1.00 0.00 C ATOM 462 CG LEU A 30 -4.221 1.083 5.860 1.00 0.00 C ATOM 463 CD1 LEU A 30 -3.246 0.927 4.687 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.088 -0.093 6.867 1.00 0.00 C ATOM 0 H LEU A 30 -6.614 3.309 6.360 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.900 2.078 8.470 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.089 3.245 5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.020 2.513 6.962 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.239 1.046 5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.393 -0.046 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.429 1.714 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.222 1.002 5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.231 -1.038 6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.096 -0.075 7.319 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.844 0.008 7.646 1.00 0.00 H new ATOM 476 N LEU A 31 -4.665 5.214 7.383 1.00 0.00 N ATOM 477 CA LEU A 31 -4.482 6.625 7.783 1.00 0.00 C ATOM 478 C LEU A 31 -5.716 7.075 8.586 1.00 0.00 C ATOM 479 O LEU A 31 -6.826 7.119 8.053 1.00 0.00 O ATOM 480 CB LEU A 31 -4.249 7.523 6.515 1.00 0.00 C ATOM 481 CG LEU A 31 -3.421 8.849 6.703 1.00 0.00 C ATOM 482 CD1 LEU A 31 -3.113 9.511 5.340 1.00 0.00 C ATOM 483 CD2 LEU A 31 -4.107 9.866 7.650 1.00 0.00 C ATOM 0 H LEU A 31 -4.696 5.078 6.373 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.600 6.728 8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.746 6.917 5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.225 7.791 6.109 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.485 8.554 7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.540 10.425 5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.534 8.823 4.724 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.047 9.753 4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.486 10.758 7.738 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.081 10.140 7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.237 9.416 8.634 1.00 0.00 H new ATOM 495 N GLY A 32 -5.500 7.351 9.880 1.00 0.00 N ATOM 496 CA GLY A 32 -6.564 7.771 10.790 1.00 0.00 C ATOM 497 C GLY A 32 -7.046 6.648 11.705 1.00 0.00 C ATOM 498 O GLY A 32 -7.488 6.913 12.828 1.00 0.00 O ATOM 0 H GLY A 32 -4.582 7.288 10.321 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.206 8.600 11.400 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.406 8.144 10.207 1.00 0.00 H new ATOM 502 N ASN A 33 -6.995 5.391 11.213 1.00 0.00 N ATOM 503 CA ASN A 33 -7.425 4.203 11.993 1.00 0.00 C ATOM 504 C ASN A 33 -6.262 3.658 12.830 1.00 0.00 C ATOM 505 O ASN A 33 -6.364 3.554 14.058 1.00 0.00 O ATOM 506 CB ASN A 33 -7.949 3.092 11.058 1.00 0.00 C ATOM 507 CG ASN A 33 -8.575 1.898 11.793 1.00 0.00 C ATOM 508 OD1 ASN A 33 -9.193 2.050 12.847 1.00 0.00 O ATOM 509 ND2 ASN A 33 -8.409 0.703 11.256 1.00 0.00 N ATOM 0 H ASN A 33 -6.659 5.169 10.276 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.230 4.516 12.658 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.691 3.519 10.384 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.126 2.734 10.440 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.797 -0.121 11.715 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.893 0.604 10.382 1.00 0.00 H new ATOM 516 N ILE A 34 -5.155 3.308 12.143 1.00 0.00 N ATOM 517 CA ILE A 34 -3.935 2.816 12.797 1.00 0.00 C ATOM 518 C ILE A 34 -3.262 4.003 13.521 1.00 0.00 C ATOM 519 O ILE A 34 -2.889 4.981 12.856 1.00 0.00 O ATOM 520 CB ILE A 34 -2.888 2.189 11.781 1.00 0.00 C ATOM 521 CG1 ILE A 34 -3.570 1.242 10.734 1.00 0.00 C ATOM 522 CG2 ILE A 34 -1.750 1.455 12.537 1.00 0.00 C ATOM 523 CD1 ILE A 34 -4.318 0.043 11.306 1.00 0.00 C ATOM 0 H ILE A 34 -5.086 3.360 11.127 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.231 2.024 13.486 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.450 3.017 11.223 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.269 1.832 10.141 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.803 0.875 10.052 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.047 1.035 11.818 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.229 2.161 13.184 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.173 0.653 13.141 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.748 -0.540 10.492 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.627 -0.581 11.873 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.115 0.391 11.963 1.00 0.00 H new ATOM 535 N PRO A 35 -3.082 3.942 14.876 1.00 0.00 N ATOM 536 CA PRO A 35 -2.444 5.037 15.638 1.00 0.00 C ATOM 537 C PRO A 35 -0.931 5.121 15.361 1.00 0.00 C ATOM 538 O PRO A 35 -0.304 6.143 15.628 1.00 0.00 O ATOM 539 CB PRO A 35 -2.742 4.671 17.117 1.00 0.00 C ATOM 540 CG PRO A 35 -2.911 3.180 17.119 1.00 0.00 C ATOM 541 CD PRO A 35 -3.461 2.802 15.757 1.00 0.00 C ATOM 0 HA PRO A 35 -2.827 6.020 15.363 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.926 4.977 17.772 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.642 5.171 17.474 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.959 2.683 17.303 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.592 2.869 17.911 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.032 1.865 15.401 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.542 2.666 15.789 1.00 0.00 H new ATOM 549 N GLU A 36 -0.369 4.039 14.796 1.00 0.00 N ATOM 550 CA GLU A 36 1.068 3.924 14.519 1.00 0.00 C ATOM 551 C GLU A 36 1.412 4.525 13.145 1.00 0.00 C ATOM 552 O GLU A 36 2.566 4.887 12.900 1.00 0.00 O ATOM 553 CB GLU A 36 1.487 2.433 14.586 1.00 0.00 C ATOM 554 CG GLU A 36 1.041 1.687 15.866 1.00 0.00 C ATOM 555 CD GLU A 36 1.411 2.410 17.177 1.00 0.00 C ATOM 556 OE1 GLU A 36 2.611 2.608 17.444 1.00 0.00 O ATOM 557 OE2 GLU A 36 0.502 2.785 17.946 1.00 0.00 O ATOM 0 H GLU A 36 -0.904 3.216 14.518 1.00 0.00 H new ATOM 0 HA GLU A 36 1.621 4.486 15.272 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.075 1.916 13.720 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.572 2.372 14.507 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.039 1.546 15.834 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.492 0.695 15.871 1.00 0.00 H new ATOM 564 N LEU A 37 0.391 4.629 12.265 1.00 0.00 N ATOM 565 CA LEU A 37 0.552 5.141 10.890 1.00 0.00 C ATOM 566 C LEU A 37 0.731 6.680 10.951 1.00 0.00 C ATOM 567 O LEU A 37 -0.238 7.447 10.894 1.00 0.00 O ATOM 568 CB LEU A 37 -0.670 4.692 9.997 1.00 0.00 C ATOM 569 CG LEU A 37 -0.525 4.751 8.422 1.00 0.00 C ATOM 570 CD1 LEU A 37 -0.599 6.190 7.860 1.00 0.00 C ATOM 571 CD2 LEU A 37 0.759 4.022 7.949 1.00 0.00 C ATOM 0 H LEU A 37 -0.567 4.360 12.490 1.00 0.00 H new ATOM 0 HA LEU A 37 1.442 4.722 10.420 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.917 3.665 10.268 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.525 5.309 10.273 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.386 4.222 8.014 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.493 6.163 6.775 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.560 6.633 8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.204 6.790 8.288 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.831 4.080 6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.632 4.497 8.396 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.718 2.977 8.255 1.00 0.00 H new ATOM 583 N ASP A 38 1.991 7.094 11.143 1.00 0.00 N ATOM 584 CA ASP A 38 2.427 8.504 11.195 1.00 0.00 C ATOM 585 C ASP A 38 3.013 8.920 9.826 1.00 0.00 C ATOM 586 O ASP A 38 3.140 8.088 8.925 1.00 0.00 O ATOM 587 CB ASP A 38 3.494 8.631 12.343 1.00 0.00 C ATOM 588 CG ASP A 38 4.065 10.052 12.552 1.00 0.00 C ATOM 589 OD1 ASP A 38 3.355 10.904 13.132 1.00 0.00 O ATOM 590 OD2 ASP A 38 5.204 10.341 12.100 1.00 0.00 O ATOM 0 H ASP A 38 2.762 6.439 11.271 1.00 0.00 H new ATOM 0 HA ASP A 38 1.589 9.169 11.404 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.042 8.297 13.277 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.319 7.952 12.128 1.00 0.00 H new ATOM 595 N SER A 39 3.328 10.215 9.694 1.00 0.00 N ATOM 596 CA SER A 39 4.087 10.793 8.572 1.00 0.00 C ATOM 597 C SER A 39 5.359 9.973 8.204 1.00 0.00 C ATOM 598 O SER A 39 5.453 9.393 7.112 1.00 0.00 O ATOM 599 CB SER A 39 4.483 12.251 8.941 1.00 0.00 C ATOM 600 OG SER A 39 3.503 13.198 8.491 1.00 0.00 O ATOM 0 H SER A 39 3.054 10.913 10.386 1.00 0.00 H new ATOM 0 HA SER A 39 3.445 10.772 7.691 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.600 12.334 10.022 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.450 12.489 8.497 1.00 0.00 H new ATOM 605 N MET A 40 6.324 9.907 9.131 1.00 0.00 N ATOM 606 CA MET A 40 7.610 9.218 8.871 1.00 0.00 C ATOM 607 C MET A 40 7.389 7.714 8.630 1.00 0.00 C ATOM 608 O MET A 40 8.149 7.063 7.901 1.00 0.00 O ATOM 609 CB MET A 40 8.599 9.450 10.025 1.00 0.00 C ATOM 610 CG MET A 40 8.905 10.932 10.290 1.00 0.00 C ATOM 611 SD MET A 40 9.637 11.760 8.864 1.00 0.00 S ATOM 612 CE MET A 40 9.840 13.433 9.482 1.00 0.00 C ATOM 0 H MET A 40 6.247 10.316 10.062 1.00 0.00 H new ATOM 0 HA MET A 40 8.043 9.643 7.966 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.194 9.004 10.933 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.531 8.930 9.803 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.984 11.444 10.569 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.584 11.012 11.139 1.00 0.00 H new ATOM 0 HE1 MET A 40 10.283 14.057 8.705 1.00 0.00 H new ATOM 0 HE2 MET A 40 8.868 13.838 9.762 1.00 0.00 H new ATOM 0 HE3 MET A 40 10.493 13.422 10.355 1.00 0.00 H new ATOM 622 N ALA A 41 6.306 7.200 9.229 1.00 0.00 N ATOM 623 CA ALA A 41 5.848 5.826 9.041 1.00 0.00 C ATOM 624 C ALA A 41 5.392 5.546 7.593 1.00 0.00 C ATOM 625 O ALA A 41 5.619 4.442 7.100 1.00 0.00 O ATOM 626 CB ALA A 41 4.730 5.515 10.026 1.00 0.00 C ATOM 0 H ALA A 41 5.719 7.739 9.866 1.00 0.00 H new ATOM 0 HA ALA A 41 6.696 5.169 9.233 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.392 4.489 9.881 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.099 5.635 11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.897 6.198 9.859 1.00 0.00 H new ATOM 632 N VAL A 42 4.754 6.541 6.907 1.00 0.00 N ATOM 633 CA VAL A 42 4.353 6.369 5.481 1.00 0.00 C ATOM 634 C VAL A 42 5.608 6.260 4.601 1.00 0.00 C ATOM 635 O VAL A 42 5.628 5.487 3.643 1.00 0.00 O ATOM 636 CB VAL A 42 3.383 7.490 4.893 1.00 0.00 C ATOM 637 CG1 VAL A 42 2.214 7.793 5.851 1.00 0.00 C ATOM 638 CG2 VAL A 42 4.117 8.795 4.475 1.00 0.00 C ATOM 0 H VAL A 42 4.513 7.447 7.308 1.00 0.00 H new ATOM 0 HA VAL A 42 3.766 5.451 5.463 1.00 0.00 H new ATOM 0 HB VAL A 42 2.974 7.066 3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.576 8.562 5.415 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.631 6.886 6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.607 8.146 6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.393 9.510 4.085 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.620 9.224 5.342 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.854 8.567 3.705 1.00 0.00 H new ATOM 648 N VAL A 43 6.664 7.020 4.966 1.00 0.00 N ATOM 649 CA VAL A 43 7.939 6.996 4.208 1.00 0.00 C ATOM 650 C VAL A 43 8.587 5.601 4.315 1.00 0.00 C ATOM 651 O VAL A 43 8.998 5.005 3.316 1.00 0.00 O ATOM 652 CB VAL A 43 8.954 8.079 4.724 1.00 0.00 C ATOM 653 CG1 VAL A 43 10.133 8.275 3.741 1.00 0.00 C ATOM 654 CG2 VAL A 43 8.238 9.411 5.017 1.00 0.00 C ATOM 0 H VAL A 43 6.662 7.650 5.768 1.00 0.00 H new ATOM 0 HA VAL A 43 7.703 7.224 3.169 1.00 0.00 H new ATOM 0 HB VAL A 43 9.376 7.713 5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.812 9.032 4.134 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.668 7.333 3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.750 8.599 2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.963 10.143 5.373 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.767 9.779 4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.476 9.254 5.781 1.00 0.00 H new ATOM 664 N ASN A 44 8.630 5.111 5.558 1.00 0.00 N ATOM 665 CA ASN A 44 9.212 3.809 5.922 1.00 0.00 C ATOM 666 C ASN A 44 8.545 2.629 5.194 1.00 0.00 C ATOM 667 O ASN A 44 9.238 1.750 4.661 1.00 0.00 O ATOM 668 CB ASN A 44 9.119 3.626 7.463 1.00 0.00 C ATOM 669 CG ASN A 44 10.103 4.497 8.248 1.00 0.00 C ATOM 670 OD1 ASN A 44 11.204 4.798 7.784 1.00 0.00 O ATOM 671 ND2 ASN A 44 9.718 4.908 9.444 1.00 0.00 N ATOM 0 H ASN A 44 8.253 5.618 6.359 1.00 0.00 H new ATOM 0 HA ASN A 44 10.255 3.809 5.604 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.104 3.858 7.787 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.300 2.579 7.707 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.338 5.490 10.008 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.801 4.644 9.803 1.00 0.00 H new ATOM 678 N VAL A 45 7.198 2.624 5.165 1.00 0.00 N ATOM 679 CA VAL A 45 6.424 1.525 4.558 1.00 0.00 C ATOM 680 C VAL A 45 6.502 1.554 3.029 1.00 0.00 C ATOM 681 O VAL A 45 6.490 0.493 2.413 1.00 0.00 O ATOM 682 CB VAL A 45 4.927 1.499 5.024 1.00 0.00 C ATOM 683 CG1 VAL A 45 4.836 1.266 6.544 1.00 0.00 C ATOM 684 CG2 VAL A 45 4.172 2.778 4.613 1.00 0.00 C ATOM 0 H VAL A 45 6.623 3.370 5.556 1.00 0.00 H new ATOM 0 HA VAL A 45 6.890 0.606 4.914 1.00 0.00 H new ATOM 0 HB VAL A 45 4.441 0.666 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.789 1.251 6.848 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.300 0.312 6.794 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.354 2.070 7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.139 2.717 4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.654 3.646 5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.189 2.877 3.528 1.00 0.00 H new ATOM 694 N ILE A 46 6.585 2.762 2.418 1.00 0.00 N ATOM 695 CA ILE A 46 6.775 2.876 0.952 1.00 0.00 C ATOM 696 C ILE A 46 8.120 2.251 0.567 1.00 0.00 C ATOM 697 O ILE A 46 8.152 1.366 -0.280 1.00 0.00 O ATOM 698 CB ILE A 46 6.683 4.359 0.425 1.00 0.00 C ATOM 699 CG1 ILE A 46 5.231 4.901 0.611 1.00 0.00 C ATOM 700 CG2 ILE A 46 7.129 4.483 -1.065 1.00 0.00 C ATOM 701 CD1 ILE A 46 5.030 6.359 0.223 1.00 0.00 C ATOM 0 H ILE A 46 6.525 3.655 2.907 1.00 0.00 H new ATOM 0 HA ILE A 46 5.957 2.336 0.475 1.00 0.00 H new ATOM 0 HB ILE A 46 7.372 4.963 1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.552 4.287 0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.945 4.777 1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.049 5.522 -1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.163 4.152 -1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.488 3.861 -1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.990 6.639 0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.677 6.990 0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.279 6.493 -0.830 1.00 0.00 H new ATOM 713 N THR A 47 9.193 2.685 1.266 1.00 0.00 N ATOM 714 CA THR A 47 10.567 2.168 1.084 1.00 0.00 C ATOM 715 C THR A 47 10.595 0.624 1.184 1.00 0.00 C ATOM 716 O THR A 47 11.193 -0.058 0.348 1.00 0.00 O ATOM 717 CB THR A 47 11.540 2.791 2.147 1.00 0.00 C ATOM 718 OG1 THR A 47 11.503 4.224 2.057 1.00 0.00 O ATOM 719 CG2 THR A 47 12.996 2.313 1.968 1.00 0.00 C ATOM 0 H THR A 47 9.128 3.411 1.979 1.00 0.00 H new ATOM 0 HA THR A 47 10.902 2.458 0.088 1.00 0.00 H new ATOM 0 HB THR A 47 11.199 2.458 3.127 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.684 4.557 2.479 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.626 2.774 2.728 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.038 1.229 2.070 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.354 2.598 0.979 1.00 0.00 H new ATOM 727 N ALA A 48 9.882 0.100 2.197 1.00 0.00 N ATOM 728 CA ALA A 48 9.740 -1.347 2.430 1.00 0.00 C ATOM 729 C ALA A 48 9.066 -2.059 1.229 1.00 0.00 C ATOM 730 O ALA A 48 9.595 -3.056 0.739 1.00 0.00 O ATOM 731 CB ALA A 48 8.977 -1.584 3.734 1.00 0.00 C ATOM 0 H ALA A 48 9.386 0.672 2.880 1.00 0.00 H new ATOM 0 HA ALA A 48 10.734 -1.784 2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.873 -2.655 3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.525 -1.136 4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.989 -1.130 3.665 1.00 0.00 H new ATOM 737 N LEU A 49 7.926 -1.508 0.745 1.00 0.00 N ATOM 738 CA LEU A 49 7.215 -2.008 -0.470 1.00 0.00 C ATOM 739 C LEU A 49 8.193 -2.108 -1.673 1.00 0.00 C ATOM 740 O LEU A 49 8.224 -3.129 -2.372 1.00 0.00 O ATOM 741 CB LEU A 49 5.991 -1.079 -0.831 1.00 0.00 C ATOM 742 CG LEU A 49 4.568 -1.491 -0.310 1.00 0.00 C ATOM 743 CD1 LEU A 49 4.103 -2.821 -0.932 1.00 0.00 C ATOM 744 CD2 LEU A 49 4.502 -1.546 1.227 1.00 0.00 C ATOM 0 H LEU A 49 7.470 -0.706 1.181 1.00 0.00 H new ATOM 0 HA LEU A 49 6.832 -3.005 -0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.208 -0.080 -0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.939 -1.004 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 49 3.880 -0.710 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.115 -3.076 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.057 -2.719 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.808 -3.611 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.498 -1.835 1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.221 -2.277 1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.740 -0.564 1.637 1.00 0.00 H new ATOM 756 N GLU A 50 8.997 -1.037 -1.862 1.00 0.00 N ATOM 757 CA GLU A 50 10.005 -0.926 -2.941 1.00 0.00 C ATOM 758 C GLU A 50 11.002 -2.100 -2.890 1.00 0.00 C ATOM 759 O GLU A 50 11.285 -2.725 -3.913 1.00 0.00 O ATOM 760 CB GLU A 50 10.789 0.420 -2.814 1.00 0.00 C ATOM 761 CG GLU A 50 9.930 1.702 -2.781 1.00 0.00 C ATOM 762 CD GLU A 50 9.255 2.042 -4.113 1.00 0.00 C ATOM 763 OE1 GLU A 50 8.282 1.364 -4.492 1.00 0.00 O ATOM 764 OE2 GLU A 50 9.704 3.001 -4.789 1.00 0.00 O ATOM 0 H GLU A 50 8.963 -0.214 -1.261 1.00 0.00 H new ATOM 0 HA GLU A 50 9.476 -0.954 -3.894 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.388 0.384 -1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.484 0.493 -3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.162 1.591 -2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.560 2.540 -2.482 1.00 0.00 H new ATOM 771 N GLU A 51 11.521 -2.373 -1.681 1.00 0.00 N ATOM 772 CA GLU A 51 12.542 -3.411 -1.445 1.00 0.00 C ATOM 773 C GLU A 51 11.997 -4.823 -1.732 1.00 0.00 C ATOM 774 O GLU A 51 12.589 -5.582 -2.512 1.00 0.00 O ATOM 775 CB GLU A 51 13.051 -3.322 0.024 1.00 0.00 C ATOM 776 CG GLU A 51 13.708 -1.979 0.403 1.00 0.00 C ATOM 777 CD GLU A 51 14.934 -1.634 -0.456 1.00 0.00 C ATOM 778 OE1 GLU A 51 16.035 -2.159 -0.176 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.809 -0.841 -1.419 1.00 0.00 O ATOM 0 H GLU A 51 11.243 -1.877 -0.834 1.00 0.00 H new ATOM 0 HA GLU A 51 13.369 -3.232 -2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.211 -3.501 0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.771 -4.123 0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.970 -1.182 0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.006 -2.012 1.451 1.00 0.00 H new ATOM 786 N TYR A 52 10.848 -5.140 -1.113 1.00 0.00 N ATOM 787 CA TYR A 52 10.264 -6.497 -1.126 1.00 0.00 C ATOM 788 C TYR A 52 9.692 -6.888 -2.503 1.00 0.00 C ATOM 789 O TYR A 52 9.830 -8.042 -2.919 1.00 0.00 O ATOM 790 CB TYR A 52 9.198 -6.639 -0.008 1.00 0.00 C ATOM 791 CG TYR A 52 9.793 -6.515 1.413 1.00 0.00 C ATOM 792 CD1 TYR A 52 10.829 -7.357 1.838 1.00 0.00 C ATOM 793 CD2 TYR A 52 9.339 -5.556 2.319 1.00 0.00 C ATOM 794 CE1 TYR A 52 11.380 -7.239 3.104 1.00 0.00 C ATOM 795 CE2 TYR A 52 9.882 -5.438 3.580 1.00 0.00 C ATOM 796 CZ TYR A 52 10.902 -6.279 3.967 1.00 0.00 C ATOM 797 OH TYR A 52 11.448 -6.150 5.225 1.00 0.00 O ATOM 0 H TYR A 52 10.295 -4.463 -0.588 1.00 0.00 H new ATOM 0 HA TYR A 52 11.074 -7.198 -0.926 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.433 -5.874 -0.144 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.703 -7.605 -0.106 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.206 -8.113 1.165 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.542 -4.889 2.025 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.180 -7.896 3.412 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.509 -4.689 4.263 1.00 0.00 H new ATOM 0 HH TYR A 52 10.996 -5.425 5.705 1.00 0.00 H new ATOM 807 N PHE A 53 9.062 -5.930 -3.206 1.00 0.00 N ATOM 808 CA PHE A 53 8.490 -6.168 -4.558 1.00 0.00 C ATOM 809 C PHE A 53 9.482 -5.782 -5.680 1.00 0.00 C ATOM 810 O PHE A 53 9.184 -6.018 -6.858 1.00 0.00 O ATOM 811 CB PHE A 53 7.167 -5.387 -4.749 1.00 0.00 C ATOM 812 CG PHE A 53 5.963 -5.882 -3.947 1.00 0.00 C ATOM 813 CD1 PHE A 53 5.905 -5.723 -2.564 1.00 0.00 C ATOM 814 CD2 PHE A 53 4.880 -6.494 -4.585 1.00 0.00 C ATOM 815 CE1 PHE A 53 4.807 -6.159 -1.848 1.00 0.00 C ATOM 816 CE2 PHE A 53 3.783 -6.922 -3.868 1.00 0.00 C ATOM 817 CZ PHE A 53 3.747 -6.755 -2.503 1.00 0.00 C ATOM 0 H PHE A 53 8.932 -4.978 -2.865 1.00 0.00 H new ATOM 0 HA PHE A 53 8.289 -7.237 -4.628 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.346 -4.344 -4.488 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.906 -5.411 -5.807 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.728 -5.253 -2.046 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.903 -6.634 -5.656 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.777 -6.034 -0.776 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.953 -7.388 -4.378 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.887 -7.091 -1.942 1.00 0.00 H new ATOM 827 N ASP A 54 10.625 -5.141 -5.306 1.00 0.00 N ATOM 828 CA ASP A 54 11.761 -4.828 -6.224 1.00 0.00 C ATOM 829 C ASP A 54 11.370 -3.776 -7.292 1.00 0.00 C ATOM 830 O ASP A 54 11.961 -3.732 -8.382 1.00 0.00 O ATOM 831 CB ASP A 54 12.319 -6.124 -6.897 1.00 0.00 C ATOM 832 CG ASP A 54 12.813 -7.177 -5.887 1.00 0.00 C ATOM 833 OD1 ASP A 54 13.957 -7.060 -5.405 1.00 0.00 O ATOM 834 OD2 ASP A 54 12.051 -8.111 -5.553 1.00 0.00 O ATOM 0 H ASP A 54 10.786 -4.824 -4.350 1.00 0.00 H new ATOM 0 HA ASP A 54 12.553 -4.394 -5.614 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.540 -6.566 -7.518 1.00 0.00 H new ATOM 0 HB3 ASP A 54 13.141 -5.854 -7.560 1.00 0.00 H new ATOM 839 N PHE A 55 10.410 -2.896 -6.959 1.00 0.00 N ATOM 840 CA PHE A 55 9.805 -1.942 -7.930 1.00 0.00 C ATOM 841 C PHE A 55 9.893 -0.498 -7.414 1.00 0.00 C ATOM 842 O PHE A 55 10.480 -0.239 -6.356 1.00 0.00 O ATOM 843 CB PHE A 55 8.320 -2.337 -8.218 1.00 0.00 C ATOM 844 CG PHE A 55 7.289 -1.939 -7.147 1.00 0.00 C ATOM 845 CD1 PHE A 55 7.500 -2.201 -5.799 1.00 0.00 C ATOM 846 CD2 PHE A 55 6.100 -1.309 -7.504 1.00 0.00 C ATOM 847 CE1 PHE A 55 6.566 -1.851 -4.848 1.00 0.00 C ATOM 848 CE2 PHE A 55 5.169 -0.960 -6.551 1.00 0.00 C ATOM 849 CZ PHE A 55 5.402 -1.234 -5.222 1.00 0.00 C ATOM 0 H PHE A 55 10.027 -2.819 -6.017 1.00 0.00 H new ATOM 0 HA PHE A 55 10.369 -1.997 -8.861 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.023 -1.884 -9.164 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.273 -3.418 -8.353 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.413 -2.688 -5.491 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.905 -1.091 -8.544 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.752 -2.064 -3.806 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.253 -0.470 -6.847 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.669 -0.963 -4.477 1.00 0.00 H new ATOM 859 N SER A 56 9.328 0.435 -8.201 1.00 0.00 N ATOM 860 CA SER A 56 9.149 1.837 -7.806 1.00 0.00 C ATOM 861 C SER A 56 7.682 2.279 -7.989 1.00 0.00 C ATOM 862 O SER A 56 7.142 2.198 -9.100 1.00 0.00 O ATOM 863 CB SER A 56 10.084 2.729 -8.638 1.00 0.00 C ATOM 864 OG SER A 56 11.438 2.325 -8.493 1.00 0.00 O ATOM 0 H SER A 56 8.980 0.231 -9.138 1.00 0.00 H new ATOM 0 HA SER A 56 9.400 1.938 -6.750 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.797 2.681 -9.689 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.975 3.767 -8.325 1.00 0.00 H new ATOM 0 HG SER A 56 12.013 2.907 -9.033 1.00 0.00 H new ATOM 870 N VAL A 57 7.032 2.725 -6.889 1.00 0.00 N ATOM 871 CA VAL A 57 5.723 3.410 -6.958 1.00 0.00 C ATOM 872 C VAL A 57 5.981 4.839 -7.485 1.00 0.00 C ATOM 873 O VAL A 57 6.922 5.500 -7.026 1.00 0.00 O ATOM 874 CB VAL A 57 4.979 3.499 -5.556 1.00 0.00 C ATOM 875 CG1 VAL A 57 3.506 3.938 -5.727 1.00 0.00 C ATOM 876 CG2 VAL A 57 5.061 2.182 -4.762 1.00 0.00 C ATOM 0 H VAL A 57 7.395 2.622 -5.941 1.00 0.00 H new ATOM 0 HA VAL A 57 5.071 2.832 -7.613 1.00 0.00 H new ATOM 0 HB VAL A 57 5.502 4.260 -4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.026 3.989 -4.750 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.471 4.919 -6.200 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.981 3.215 -6.352 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.537 2.296 -3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.598 1.381 -5.338 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.106 1.936 -4.573 1.00 0.00 H new ATOM 886 N ASP A 58 5.172 5.302 -8.443 1.00 0.00 N ATOM 887 CA ASP A 58 5.357 6.619 -9.079 1.00 0.00 C ATOM 888 C ASP A 58 4.878 7.733 -8.128 1.00 0.00 C ATOM 889 O ASP A 58 3.860 7.581 -7.469 1.00 0.00 O ATOM 890 CB ASP A 58 4.596 6.656 -10.423 1.00 0.00 C ATOM 891 CG ASP A 58 4.711 8.000 -11.141 1.00 0.00 C ATOM 892 OD1 ASP A 58 5.777 8.275 -11.725 1.00 0.00 O ATOM 893 OD2 ASP A 58 3.751 8.787 -11.116 1.00 0.00 O ATOM 0 H ASP A 58 4.372 4.780 -8.801 1.00 0.00 H new ATOM 0 HA ASP A 58 6.415 6.786 -9.282 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.980 5.870 -11.073 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.544 6.436 -10.244 1.00 0.00 H new ATOM 898 N ASP A 59 5.644 8.831 -8.040 1.00 0.00 N ATOM 899 CA ASP A 59 5.344 9.964 -7.130 1.00 0.00 C ATOM 900 C ASP A 59 3.962 10.595 -7.422 1.00 0.00 C ATOM 901 O ASP A 59 3.213 10.919 -6.495 1.00 0.00 O ATOM 902 CB ASP A 59 6.461 11.034 -7.242 1.00 0.00 C ATOM 903 CG ASP A 59 6.265 12.241 -6.297 1.00 0.00 C ATOM 904 OD1 ASP A 59 6.526 12.103 -5.076 1.00 0.00 O ATOM 905 OD2 ASP A 59 5.853 13.330 -6.766 1.00 0.00 O ATOM 0 H ASP A 59 6.490 8.965 -8.594 1.00 0.00 H new ATOM 0 HA ASP A 59 5.310 9.575 -6.112 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.422 10.567 -7.025 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.506 11.393 -8.270 1.00 0.00 H new ATOM 910 N ASP A 60 3.617 10.702 -8.724 1.00 0.00 N ATOM 911 CA ASP A 60 2.401 11.417 -9.196 1.00 0.00 C ATOM 912 C ASP A 60 1.109 10.610 -8.967 1.00 0.00 C ATOM 913 O ASP A 60 0.017 11.121 -9.241 1.00 0.00 O ATOM 914 CB ASP A 60 2.530 11.790 -10.701 1.00 0.00 C ATOM 915 CG ASP A 60 3.793 12.606 -10.998 1.00 0.00 C ATOM 916 OD1 ASP A 60 4.873 12.004 -11.162 1.00 0.00 O ATOM 917 OD2 ASP A 60 3.722 13.853 -11.032 1.00 0.00 O ATOM 0 H ASP A 60 4.170 10.297 -9.480 1.00 0.00 H new ATOM 0 HA ASP A 60 2.328 12.327 -8.600 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.542 10.878 -11.298 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.653 12.360 -11.007 1.00 0.00 H new ATOM 922 N GLU A 61 1.222 9.360 -8.475 1.00 0.00 N ATOM 923 CA GLU A 61 0.037 8.553 -8.084 1.00 0.00 C ATOM 924 C GLU A 61 -0.136 8.588 -6.556 1.00 0.00 C ATOM 925 O GLU A 61 -1.269 8.543 -6.051 1.00 0.00 O ATOM 926 CB GLU A 61 0.134 7.088 -8.610 1.00 0.00 C ATOM 927 CG GLU A 61 1.132 6.180 -7.865 1.00 0.00 C ATOM 928 CD GLU A 61 1.338 4.802 -8.513 1.00 0.00 C ATOM 929 OE1 GLU A 61 0.532 3.884 -8.284 1.00 0.00 O ATOM 930 OE2 GLU A 61 2.321 4.630 -9.248 1.00 0.00 O ATOM 0 H GLU A 61 2.114 8.885 -8.338 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.845 8.994 -8.548 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.855 6.634 -8.554 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.412 7.116 -9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.094 6.689 -7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.783 6.039 -6.842 1.00 0.00 H new ATOM 937 N ILE A 62 0.998 8.688 -5.823 1.00 0.00 N ATOM 938 CA ILE A 62 0.988 8.666 -4.352 1.00 0.00 C ATOM 939 C ILE A 62 0.370 9.967 -3.794 1.00 0.00 C ATOM 940 O ILE A 62 0.934 11.057 -3.936 1.00 0.00 O ATOM 941 CB ILE A 62 2.417 8.476 -3.705 1.00 0.00 C ATOM 942 CG1 ILE A 62 3.202 7.275 -4.320 1.00 0.00 C ATOM 943 CG2 ILE A 62 2.283 8.289 -2.172 1.00 0.00 C ATOM 944 CD1 ILE A 62 4.608 7.086 -3.747 1.00 0.00 C ATOM 0 H ILE A 62 1.928 8.784 -6.232 1.00 0.00 H new ATOM 0 HA ILE A 62 0.386 7.798 -4.082 1.00 0.00 H new ATOM 0 HB ILE A 62 2.989 9.378 -3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.630 6.361 -4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.277 7.418 -5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.272 8.159 -1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.807 9.168 -1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.675 7.408 -1.965 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.085 6.231 -4.227 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.200 7.983 -3.931 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.543 6.909 -2.673 1.00 0.00 H new ATOM 956 N SER A 63 -0.797 9.819 -3.187 1.00 0.00 N ATOM 957 CA SER A 63 -1.460 10.854 -2.399 1.00 0.00 C ATOM 958 C SER A 63 -1.467 10.412 -0.922 1.00 0.00 C ATOM 959 O SER A 63 -1.088 9.277 -0.595 1.00 0.00 O ATOM 960 CB SER A 63 -2.904 11.055 -2.935 1.00 0.00 C ATOM 961 OG SER A 63 -3.599 12.068 -2.229 1.00 0.00 O ATOM 0 H SER A 63 -1.328 8.949 -3.229 1.00 0.00 H new ATOM 0 HA SER A 63 -0.933 11.805 -2.479 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.865 11.313 -3.993 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.453 10.117 -2.856 1.00 0.00 H new ATOM 0 HG SER A 63 -4.502 12.164 -2.598 1.00 0.00 H new ATOM 967 N ALA A 64 -1.888 11.316 -0.031 1.00 0.00 N ATOM 968 CA ALA A 64 -2.206 10.965 1.366 1.00 0.00 C ATOM 969 C ALA A 64 -3.486 10.097 1.390 1.00 0.00 C ATOM 970 O ALA A 64 -3.638 9.210 2.233 1.00 0.00 O ATOM 971 CB ALA A 64 -2.376 12.231 2.218 1.00 0.00 C ATOM 0 H ALA A 64 -2.018 12.304 -0.250 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.383 10.394 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.610 11.950 3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.451 12.808 2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.188 12.836 1.813 1.00 0.00 H new ATOM 977 N GLN A 65 -4.371 10.339 0.391 1.00 0.00 N ATOM 978 CA GLN A 65 -5.620 9.577 0.190 1.00 0.00 C ATOM 979 C GLN A 65 -5.337 8.153 -0.337 1.00 0.00 C ATOM 980 O GLN A 65 -6.242 7.330 -0.382 1.00 0.00 O ATOM 981 CB GLN A 65 -6.573 10.329 -0.783 1.00 0.00 C ATOM 982 CG GLN A 65 -6.859 11.797 -0.408 1.00 0.00 C ATOM 983 CD GLN A 65 -7.357 11.991 1.032 1.00 0.00 C ATOM 984 OE1 GLN A 65 -8.556 11.934 1.304 1.00 0.00 O ATOM 985 NE2 GLN A 65 -6.439 12.246 1.956 1.00 0.00 N ATOM 0 H GLN A 65 -4.233 11.075 -0.301 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.107 9.487 1.161 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.141 10.303 -1.784 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.519 9.790 -0.830 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.949 12.380 -0.548 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.604 12.198 -1.096 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.453 12.286 1.698 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.719 12.402 2.924 1.00 0.00 H new ATOM 994 N THR A 66 -4.076 7.873 -0.740 1.00 0.00 N ATOM 995 CA THR A 66 -3.651 6.514 -1.129 1.00 0.00 C ATOM 996 C THR A 66 -3.623 5.607 0.115 1.00 0.00 C ATOM 997 O THR A 66 -3.939 4.427 0.036 1.00 0.00 O ATOM 998 CB THR A 66 -2.248 6.544 -1.828 1.00 0.00 C ATOM 999 OG1 THR A 66 -2.328 7.351 -3.007 1.00 0.00 O ATOM 1000 CG2 THR A 66 -1.721 5.148 -2.212 1.00 0.00 C ATOM 0 H THR A 66 -3.337 8.573 -0.803 1.00 0.00 H new ATOM 0 HA THR A 66 -4.367 6.112 -1.846 1.00 0.00 H new ATOM 0 HB THR A 66 -1.546 6.960 -1.105 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.276 6.778 -3.800 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.747 5.246 -2.691 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.625 4.536 -1.315 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.418 4.673 -2.902 1.00 0.00 H new ATOM 1008 N PHE A 67 -3.283 6.203 1.279 1.00 0.00 N ATOM 1009 CA PHE A 67 -3.182 5.476 2.556 1.00 0.00 C ATOM 1010 C PHE A 67 -4.509 5.440 3.321 1.00 0.00 C ATOM 1011 O PHE A 67 -4.517 5.017 4.473 1.00 0.00 O ATOM 1012 CB PHE A 67 -2.042 6.090 3.421 1.00 0.00 C ATOM 1013 CG PHE A 67 -0.659 5.857 2.819 1.00 0.00 C ATOM 1014 CD1 PHE A 67 -0.205 6.632 1.748 1.00 0.00 C ATOM 1015 CD2 PHE A 67 0.166 4.836 3.295 1.00 0.00 C ATOM 1016 CE1 PHE A 67 1.025 6.396 1.182 1.00 0.00 C ATOM 1017 CE2 PHE A 67 1.394 4.601 2.721 1.00 0.00 C ATOM 1018 CZ PHE A 67 1.822 5.380 1.668 1.00 0.00 C ATOM 0 H PHE A 67 -3.072 7.198 1.356 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.939 4.438 2.330 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.211 7.161 3.531 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.077 5.658 4.421 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.828 7.425 1.361 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.163 4.225 4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.367 7.005 0.358 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.022 3.806 3.096 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.787 5.194 1.220 1.00 0.00 H new ATOM 1028 N GLU A 68 -5.629 5.837 2.673 1.00 0.00 N ATOM 1029 CA GLU A 68 -6.962 5.821 3.319 1.00 0.00 C ATOM 1030 C GLU A 68 -7.327 4.393 3.790 1.00 0.00 C ATOM 1031 O GLU A 68 -7.740 4.205 4.929 1.00 0.00 O ATOM 1032 CB GLU A 68 -8.078 6.389 2.383 1.00 0.00 C ATOM 1033 CG GLU A 68 -8.352 5.558 1.111 1.00 0.00 C ATOM 1034 CD GLU A 68 -9.600 5.999 0.340 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -9.538 7.013 -0.374 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -10.652 5.336 0.455 1.00 0.00 O ATOM 0 H GLU A 68 -5.636 6.170 1.709 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.903 6.475 4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.004 6.467 2.953 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.801 7.400 2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.487 5.625 0.452 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.460 4.510 1.390 1.00 0.00 H new ATOM 1043 N THR A 69 -7.139 3.390 2.906 1.00 0.00 N ATOM 1044 CA THR A 69 -7.468 1.982 3.191 1.00 0.00 C ATOM 1045 C THR A 69 -6.397 1.036 2.621 1.00 0.00 C ATOM 1046 O THR A 69 -5.603 1.418 1.742 1.00 0.00 O ATOM 1047 CB THR A 69 -8.868 1.573 2.599 1.00 0.00 C ATOM 1048 OG1 THR A 69 -8.896 1.816 1.185 1.00 0.00 O ATOM 1049 CG2 THR A 69 -10.048 2.307 3.269 1.00 0.00 C ATOM 0 H THR A 69 -6.754 3.537 1.973 1.00 0.00 H new ATOM 0 HA THR A 69 -7.503 1.889 4.276 1.00 0.00 H new ATOM 0 HB THR A 69 -8.991 0.510 2.805 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.770 1.557 0.826 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.984 1.981 2.816 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.061 2.078 4.335 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.933 3.382 3.131 1.00 0.00 H new ATOM 1057 N LEU A 70 -6.405 -0.215 3.131 1.00 0.00 N ATOM 1058 CA LEU A 70 -5.523 -1.296 2.672 1.00 0.00 C ATOM 1059 C LEU A 70 -5.742 -1.586 1.186 1.00 0.00 C ATOM 1060 O LEU A 70 -4.781 -1.785 0.440 1.00 0.00 O ATOM 1061 CB LEU A 70 -5.786 -2.593 3.479 1.00 0.00 C ATOM 1062 CG LEU A 70 -4.908 -3.820 3.067 1.00 0.00 C ATOM 1063 CD1 LEU A 70 -3.428 -3.556 3.380 1.00 0.00 C ATOM 1064 CD2 LEU A 70 -5.404 -5.133 3.715 1.00 0.00 C ATOM 0 H LEU A 70 -7.034 -0.500 3.882 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.495 -0.969 2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.619 -2.385 4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.836 -2.864 3.369 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.007 -3.950 1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.834 -4.421 3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.090 -2.679 2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.308 -3.380 4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.765 -5.958 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.368 -5.039 4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.429 -5.329 3.401 1.00 0.00 H new ATOM 1076 N GLY A 71 -7.029 -1.604 0.792 1.00 0.00 N ATOM 1077 CA GLY A 71 -7.435 -1.886 -0.581 1.00 0.00 C ATOM 1078 C GLY A 71 -6.922 -0.852 -1.565 1.00 0.00 C ATOM 1079 O GLY A 71 -6.715 -1.167 -2.732 1.00 0.00 O ATOM 0 H GLY A 71 -7.810 -1.422 1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.067 -2.871 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.523 -1.924 -0.634 1.00 0.00 H new ATOM 1083 N SER A 72 -6.705 0.386 -1.083 1.00 0.00 N ATOM 1084 CA SER A 72 -6.114 1.459 -1.890 1.00 0.00 C ATOM 1085 C SER A 72 -4.635 1.147 -2.218 1.00 0.00 C ATOM 1086 O SER A 72 -4.268 1.135 -3.393 1.00 0.00 O ATOM 1087 CB SER A 72 -6.272 2.814 -1.176 1.00 0.00 C ATOM 1088 OG SER A 72 -7.644 3.136 -1.018 1.00 0.00 O ATOM 0 H SER A 72 -6.934 0.665 -0.129 1.00 0.00 H new ATOM 0 HA SER A 72 -6.647 1.522 -2.839 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.787 2.776 -0.201 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.773 3.595 -1.750 1.00 0.00 H new ATOM 0 HG SER A 72 -8.008 2.649 -0.249 1.00 0.00 H new ATOM 1094 N LEU A 73 -3.807 0.839 -1.183 1.00 0.00 N ATOM 1095 CA LEU A 73 -2.383 0.452 -1.401 1.00 0.00 C ATOM 1096 C LEU A 73 -2.289 -0.821 -2.259 1.00 0.00 C ATOM 1097 O LEU A 73 -1.397 -0.943 -3.102 1.00 0.00 O ATOM 1098 CB LEU A 73 -1.616 0.202 -0.065 1.00 0.00 C ATOM 1099 CG LEU A 73 -1.228 1.438 0.802 1.00 0.00 C ATOM 1100 CD1 LEU A 73 -0.406 2.466 -0.003 1.00 0.00 C ATOM 1101 CD2 LEU A 73 -2.456 2.072 1.456 1.00 0.00 C ATOM 0 H LEU A 73 -4.094 0.850 -0.204 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.918 1.294 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.226 -0.459 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.700 -0.339 -0.303 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.585 1.081 1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.155 3.312 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.511 1.998 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.992 2.815 -0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.148 2.931 2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.152 2.398 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.945 1.340 2.099 1.00 0.00 H new ATOM 1113 N ALA A 74 -3.227 -1.751 -2.007 1.00 0.00 N ATOM 1114 CA ALA A 74 -3.332 -3.020 -2.721 1.00 0.00 C ATOM 1115 C ALA A 74 -3.534 -2.766 -4.213 1.00 0.00 C ATOM 1116 O ALA A 74 -2.737 -3.223 -5.012 1.00 0.00 O ATOM 1117 CB ALA A 74 -4.474 -3.865 -2.146 1.00 0.00 C ATOM 0 H ALA A 74 -3.941 -1.633 -1.289 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.404 -3.578 -2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.539 -4.808 -2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.283 -4.066 -1.092 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.414 -3.323 -2.247 1.00 0.00 H new ATOM 1123 N LEU A 75 -4.550 -1.943 -4.548 1.00 0.00 N ATOM 1124 CA LEU A 75 -4.911 -1.616 -5.946 1.00 0.00 C ATOM 1125 C LEU A 75 -3.722 -0.962 -6.670 1.00 0.00 C ATOM 1126 O LEU A 75 -3.397 -1.351 -7.786 1.00 0.00 O ATOM 1127 CB LEU A 75 -6.190 -0.697 -6.020 1.00 0.00 C ATOM 1128 CG LEU A 75 -7.532 -1.399 -6.433 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -7.447 -1.985 -7.857 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -7.937 -2.483 -5.418 1.00 0.00 C ATOM 0 H LEU A 75 -5.144 -1.485 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.155 -2.550 -6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.334 -0.233 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.993 0.107 -6.730 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.309 -0.634 -6.432 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.393 -2.464 -8.111 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.243 -1.185 -8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.645 -2.722 -7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.870 -2.948 -5.735 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.155 -3.240 -5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.073 -2.029 -4.436 1.00 0.00 H new ATOM 1142 N PHE A 76 -3.058 -0.006 -5.997 1.00 0.00 N ATOM 1143 CA PHE A 76 -1.900 0.721 -6.556 1.00 0.00 C ATOM 1144 C PHE A 76 -0.762 -0.241 -6.941 1.00 0.00 C ATOM 1145 O PHE A 76 -0.360 -0.275 -8.103 1.00 0.00 O ATOM 1146 CB PHE A 76 -1.405 1.822 -5.571 1.00 0.00 C ATOM 1147 CG PHE A 76 -2.201 3.131 -5.660 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -3.591 3.143 -5.524 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -1.561 4.344 -5.902 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -4.305 4.316 -5.628 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -2.279 5.513 -6.010 1.00 0.00 C ATOM 1152 CZ PHE A 76 -3.647 5.504 -5.868 1.00 0.00 C ATOM 0 H PHE A 76 -3.307 0.286 -5.052 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.229 1.215 -7.471 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.465 1.439 -4.552 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.354 2.031 -5.772 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.114 2.218 -5.334 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.486 4.368 -6.006 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.380 4.306 -5.522 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.766 6.442 -6.207 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.205 6.426 -5.944 1.00 0.00 H new ATOM 1162 N VAL A 77 -0.292 -1.060 -5.980 1.00 0.00 N ATOM 1163 CA VAL A 77 0.810 -2.021 -6.224 1.00 0.00 C ATOM 1164 C VAL A 77 0.380 -3.136 -7.216 1.00 0.00 C ATOM 1165 O VAL A 77 1.204 -3.672 -7.946 1.00 0.00 O ATOM 1166 CB VAL A 77 1.394 -2.626 -4.886 1.00 0.00 C ATOM 1167 CG1 VAL A 77 1.904 -1.501 -3.946 1.00 0.00 C ATOM 1168 CG2 VAL A 77 0.370 -3.526 -4.166 1.00 0.00 C ATOM 0 H VAL A 77 -0.656 -1.078 -5.027 1.00 0.00 H new ATOM 0 HA VAL A 77 1.620 -1.458 -6.688 1.00 0.00 H new ATOM 0 HB VAL A 77 2.241 -3.256 -5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.301 -1.943 -3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.690 -0.936 -4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.079 -0.833 -3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.812 -3.921 -3.251 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.516 -2.942 -3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.089 -4.352 -4.819 1.00 0.00 H new ATOM 1178 N GLU A 78 -0.928 -3.442 -7.264 1.00 0.00 N ATOM 1179 CA GLU A 78 -1.498 -4.404 -8.237 1.00 0.00 C ATOM 1180 C GLU A 78 -1.502 -3.818 -9.651 1.00 0.00 C ATOM 1181 O GLU A 78 -1.438 -4.557 -10.625 1.00 0.00 O ATOM 1182 CB GLU A 78 -2.923 -4.834 -7.818 1.00 0.00 C ATOM 1183 CG GLU A 78 -2.934 -5.781 -6.608 1.00 0.00 C ATOM 1184 CD GLU A 78 -4.324 -6.081 -6.034 1.00 0.00 C ATOM 1185 OE1 GLU A 78 -5.253 -6.383 -6.814 1.00 0.00 O ATOM 1186 OE2 GLU A 78 -4.468 -6.106 -4.794 1.00 0.00 O ATOM 0 H GLU A 78 -1.621 -3.035 -6.635 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.864 -5.290 -8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.510 -3.946 -7.583 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.411 -5.324 -8.660 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.466 -6.722 -6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.318 -5.347 -5.820 1.00 0.00 H new ATOM 1193 N HIS A 79 -1.587 -2.485 -9.746 1.00 0.00 N ATOM 1194 CA HIS A 79 -1.472 -1.770 -11.025 1.00 0.00 C ATOM 1195 C HIS A 79 -0.010 -1.770 -11.503 1.00 0.00 C ATOM 1196 O HIS A 79 0.250 -1.921 -12.688 1.00 0.00 O ATOM 1197 CB HIS A 79 -1.999 -0.314 -10.895 1.00 0.00 C ATOM 1198 CG HIS A 79 -3.484 -0.190 -10.629 1.00 0.00 C ATOM 1199 ND1 HIS A 79 -4.101 1.005 -10.329 1.00 0.00 N ATOM 1200 CD2 HIS A 79 -4.467 -1.122 -10.607 1.00 0.00 C ATOM 1201 CE1 HIS A 79 -5.391 0.800 -10.148 1.00 0.00 C ATOM 1202 NE2 HIS A 79 -5.639 -0.480 -10.310 1.00 0.00 N ATOM 0 H HIS A 79 -1.737 -1.874 -8.943 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.084 -2.287 -11.764 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.459 0.181 -10.088 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.764 0.224 -11.813 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.632 1.908 -10.258 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.348 -2.180 -10.790 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.122 1.558 -9.907 1.00 0.00 H new ATOM 1211 N LYS A 80 0.927 -1.624 -10.548 1.00 0.00 N ATOM 1212 CA LYS A 80 2.377 -1.519 -10.824 1.00 0.00 C ATOM 1213 C LYS A 80 2.971 -2.845 -11.329 1.00 0.00 C ATOM 1214 O LYS A 80 3.616 -2.891 -12.381 1.00 0.00 O ATOM 1215 CB LYS A 80 3.131 -1.063 -9.543 1.00 0.00 C ATOM 1216 CG LYS A 80 2.625 0.257 -8.927 1.00 0.00 C ATOM 1217 CD LYS A 80 2.695 1.443 -9.900 1.00 0.00 C ATOM 1218 CE LYS A 80 4.133 1.867 -10.228 1.00 0.00 C ATOM 1219 NZ LYS A 80 4.163 3.082 -11.075 1.00 0.00 N ATOM 0 H LYS A 80 0.700 -1.575 -9.555 1.00 0.00 H new ATOM 0 HA LYS A 80 2.503 -0.778 -11.614 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.053 -1.850 -8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.189 -0.954 -9.781 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.594 0.125 -8.598 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.216 0.487 -8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.181 1.178 -10.824 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.162 2.291 -9.470 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.678 2.054 -9.303 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.645 1.053 -10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.138 3.438 -11.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.818 2.849 -12.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.554 3.813 -10.655 1.00 0.00 H new ATOM 1233 N LEU A 81 2.753 -3.917 -10.552 1.00 0.00 N ATOM 1234 CA LEU A 81 3.331 -5.252 -10.836 1.00 0.00 C ATOM 1235 C LEU A 81 2.593 -5.969 -12.001 1.00 0.00 C ATOM 1236 O LEU A 81 3.111 -6.955 -12.535 1.00 0.00 O ATOM 1237 CB LEU A 81 3.370 -6.150 -9.544 1.00 0.00 C ATOM 1238 CG LEU A 81 4.453 -5.805 -8.448 1.00 0.00 C ATOM 1239 CD1 LEU A 81 5.871 -5.724 -9.046 1.00 0.00 C ATOM 1240 CD2 LEU A 81 4.108 -4.528 -7.655 1.00 0.00 C ATOM 0 H LEU A 81 2.175 -3.890 -9.712 1.00 0.00 H new ATOM 0 HA LEU A 81 4.360 -5.091 -11.158 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.388 -6.104 -9.073 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.525 -7.183 -9.857 1.00 0.00 H new ATOM 0 HG LEU A 81 4.440 -6.632 -7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.585 -5.485 -8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.132 -6.683 -9.494 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.900 -4.947 -9.810 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.886 -4.338 -6.915 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.043 -3.682 -8.339 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.151 -4.661 -7.150 1.00 0.00 H new ATOM 1252 N SER A 82 1.396 -5.479 -12.393 1.00 0.00 N ATOM 1253 CA SER A 82 0.670 -6.008 -13.572 1.00 0.00 C ATOM 1254 C SER A 82 0.968 -5.150 -14.823 1.00 0.00 C ATOM 1255 O SER A 82 1.004 -5.669 -15.939 1.00 0.00 O ATOM 1256 CB SER A 82 -0.847 -6.046 -13.306 1.00 0.00 C ATOM 1257 OG SER A 82 -1.166 -6.871 -12.194 1.00 0.00 O ATOM 0 H SER A 82 0.912 -4.720 -11.913 1.00 0.00 H new ATOM 0 HA SER A 82 1.016 -7.025 -13.754 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.210 -5.034 -13.124 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.363 -6.415 -14.193 1.00 0.00 H new ATOM 0 HG SER A 82 -1.316 -6.311 -11.404 1.00 0.00 H new ATOM 1263 N HIS A 83 1.173 -3.829 -14.621 1.00 0.00 N ATOM 1264 CA HIS A 83 1.405 -2.852 -15.707 1.00 0.00 C ATOM 1265 C HIS A 83 2.636 -1.980 -15.355 1.00 0.00 C ATOM 1266 O HIS A 83 2.497 -0.998 -14.599 1.00 0.00 O ATOM 1267 CB HIS A 83 0.140 -1.968 -15.938 1.00 0.00 C ATOM 1268 CG HIS A 83 -1.098 -2.737 -16.325 1.00 0.00 C ATOM 1269 ND1 HIS A 83 -2.143 -2.970 -15.457 1.00 0.00 N ATOM 1270 CD2 HIS A 83 -1.446 -3.333 -17.488 1.00 0.00 C ATOM 1271 CE1 HIS A 83 -3.072 -3.670 -16.069 1.00 0.00 C ATOM 1272 NE2 HIS A 83 -2.674 -3.902 -17.301 1.00 0.00 N ATOM 1273 OXT HIS A 83 3.744 -2.294 -15.815 1.00 0.00 O ATOM 0 H HIS A 83 1.182 -3.408 -13.692 1.00 0.00 H new ATOM 0 HA HIS A 83 1.602 -3.387 -16.636 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.066 -1.406 -15.027 1.00 0.00 H new ATOM 0 HB3 HIS A 83 0.359 -1.240 -16.719 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.862 -3.355 -18.396 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.004 -3.999 -15.634 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -3.198 -4.423 -18.004 1.00 0.00 H new TER 1282 HIS A 83 HETATM 1283 P24 PNS A 84 3.839 14.767 8.206 1.00 0.00 P HETATM 1284 O25 PNS A 84 4.531 15.260 9.409 1.00 0.00 O HETATM 1285 O26 PNS A 84 2.562 15.431 7.847 1.00 0.00 O HETATM 1286 O27 PNS A 84 4.840 14.833 6.923 1.00 0.00 O HETATM 1287 C28 PNS A 84 6.195 14.350 6.927 1.00 0.00 C HETATM 1288 C29 PNS A 84 6.501 13.534 5.628 1.00 0.00 C HETATM 1289 C30 PNS A 84 5.413 12.429 5.438 1.00 0.00 C HETATM 1290 C31 PNS A 84 7.883 12.846 5.796 1.00 0.00 C HETATM 1291 C32 PNS A 84 6.486 14.495 4.366 1.00 0.00 C HETATM 1292 O33 PNS A 84 7.639 15.353 4.376 1.00 0.00 O HETATM 1293 C34 PNS A 84 6.455 13.692 3.044 1.00 0.00 C HETATM 1294 O35 PNS A 84 5.458 13.755 2.323 1.00 0.00 O HETATM 1295 N36 PNS A 84 7.556 12.977 2.727 1.00 0.00 N HETATM 1296 C37 PNS A 84 7.683 12.137 1.518 1.00 0.00 C HETATM 1297 C38 PNS A 84 6.867 10.814 1.616 1.00 0.00 C HETATM 1298 C39 PNS A 84 5.446 10.876 1.042 1.00 0.00 C HETATM 1299 O40 PNS A 84 5.070 11.852 0.379 1.00 0.00 O HETATM 1300 N41 PNS A 84 4.672 9.797 1.265 1.00 0.00 N HETATM 1301 C42 PNS A 84 3.277 9.676 0.790 1.00 0.00 C HETATM 1302 C43 PNS A 84 2.227 10.318 1.709 1.00 0.00 C HETATM 1303 S44 PNS A 84 2.460 12.092 1.973 1.00 0.00 S HETATM 0 H432 PNS A 84 1.237 10.152 1.283 1.00 0.00 H new HETATM 0 H431 PNS A 84 2.247 9.812 2.674 1.00 0.00 H new HETATM 0 H422 PNS A 84 3.038 8.619 0.672 1.00 0.00 H new HETATM 0 H421 PNS A 84 3.203 10.132 -0.197 1.00 0.00 H new HETATM 0 H382 PNS A 84 6.805 10.521 2.664 1.00 0.00 H new HETATM 0 H381 PNS A 84 7.417 10.028 1.098 1.00 0.00 H new HETATM 0 H372 PNS A 84 8.734 11.899 1.355 1.00 0.00 H new HETATM 0 H371 PNS A 84 7.346 12.704 0.650 1.00 0.00 H new HETATM 0 H313 PNS A 84 8.115 12.271 4.899 1.00 0.00 H new HETATM 0 H312 PNS A 84 7.855 12.179 6.657 1.00 0.00 H new HETATM 0 H311 PNS A 84 8.651 13.604 5.949 1.00 0.00 H new HETATM 0 H303 PNS A 84 5.626 11.860 4.533 1.00 0.00 H new HETATM 0 H302 PNS A 84 4.432 12.896 5.351 1.00 0.00 H new HETATM 0 H301 PNS A 84 5.421 11.759 6.298 1.00 0.00 H new HETATM 0 H282 PNS A 84 6.359 13.722 7.803 1.00 0.00 H new HETATM 0 H281 PNS A 84 6.885 15.191 7.004 1.00 0.00 H new HETATM 0 H44 PNS A 84 3.498 12.498 1.303 1.00 0.00 H new HETATM 0 H41 PNS A 84 5.070 9.019 1.791 1.00 0.00 H new HETATM 0 H36 PNS A 84 8.352 13.020 3.364 1.00 0.00 H new HETATM 0 H33 PNS A 84 7.617 15.939 3.591 1.00 0.00 H new HETATM 0 H32 PNS A 84 5.580 15.099 4.425 1.00 0.00 H new