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= 0.831 USER MOD Set 1.2: A 72 SER OG : rot 72:sc= 0.918 USER MOD Set 2.1: A 63 SER OG : rot -27:sc= 0.255 USER MOD Set 2.2: A 66 THR OG1 : rot -151:sc= 2.09 USER MOD Set 3.1: A 25 THR OG1 : rot 116:sc= 0.763 USER MOD Set 3.2: A 27 SER OG : rot 180:sc= 0.707 USER MOD Set 4.1: A 9 ASN : amide:sc= 1.09 K(o=2.3,f=-7.5!) USER MOD Set 4.2: A 21 LYS NZ :NH3+ 144:sc= 1.26 (180deg=0.00219) USER MOD Single : A 1 MET CE :methyl -171:sc= -0.416 (180deg=-0.607) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.0555 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -2.44! C(o=-2.4!,f=-2.1!) USER MOD Single : A 16 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.023) USER MOD Single : A 22 HIS : no HE2:sc= 0.00557 X(o=0.0056,f=-0.049) USER MOD Single : A 23 THR OG1 : rot -43:sc= 0.217 USER MOD Single : A 28 SER OG : rot -140:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.607 K(o=0.61,f=-0.23) USER MOD Single : A 40 MET CE :methyl -162:sc= 0 (180deg=-0.0478) USER MOD Single : A 44 ASN : amide:sc= -0.0388 K(o=-0.039,f=-0.68) USER MOD Single : A 47 THR OG1 : rot 72:sc= 0.996 USER MOD Single : A 52 TYR OH : rot -125:sc= 0.141 USER MOD Single : A 56 SER OG : rot 40:sc= 0.0517 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.0911 X(o=-0.091,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 163:sc= 0.537 (180deg=0.375) USER MOD Single : A 82 SER OG : rot 63:sc= 1.24 USER MOD Single : A 83 HIS : no HD1:sc= -0.172 X(o=-0.17,f=0.023) USER MOD Single : A 84 PNS O33 : rot 180:sc= -0.0209 USER MOD Single : A 84 PNS S44 : rot -140:sc= -2.82! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.897 -9.640 -4.483 1.00 0.00 N ATOM 2 CA MET A 1 -7.594 -8.964 -4.670 1.00 0.00 C ATOM 3 C MET A 1 -6.491 -9.861 -4.086 1.00 0.00 C ATOM 4 O MET A 1 -6.736 -10.531 -3.084 1.00 0.00 O ATOM 5 CB MET A 1 -7.612 -7.562 -3.983 1.00 0.00 C ATOM 6 CG MET A 1 -6.579 -6.550 -4.527 1.00 0.00 C ATOM 7 SD MET A 1 -7.231 -5.450 -5.816 1.00 0.00 S ATOM 8 CE MET A 1 -7.691 -6.549 -7.163 1.00 0.00 C ATOM 0 H1 MET A 1 -9.633 -8.929 -4.296 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.139 -10.171 -5.344 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.836 -10.295 -3.678 1.00 0.00 H new ATOM 0 HA MET A 1 -7.399 -8.804 -5.730 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.609 -7.134 -4.093 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.438 -7.696 -2.915 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.209 -5.944 -3.700 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.726 -7.097 -4.928 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.945 -5.959 -8.043 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.855 -7.208 -7.397 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.552 -7.147 -6.866 1.00 0.00 H new ATOM 18 N GLN A 2 -5.296 -9.907 -4.718 1.00 0.00 N ATOM 19 CA GLN A 2 -4.188 -10.797 -4.274 1.00 0.00 C ATOM 20 C GLN A 2 -3.169 -10.054 -3.380 1.00 0.00 C ATOM 21 O GLN A 2 -2.755 -10.573 -2.334 1.00 0.00 O ATOM 22 CB GLN A 2 -3.468 -11.463 -5.488 1.00 0.00 C ATOM 23 CG GLN A 2 -2.839 -10.492 -6.507 1.00 0.00 C ATOM 24 CD GLN A 2 -1.815 -11.157 -7.422 1.00 0.00 C ATOM 25 OE1 GLN A 2 -2.136 -11.658 -8.498 1.00 0.00 O ATOM 26 NE2 GLN A 2 -0.573 -11.165 -6.984 1.00 0.00 N ATOM 0 H GLN A 2 -5.070 -9.341 -5.536 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.643 -11.584 -3.673 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.685 -12.119 -5.107 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.186 -12.095 -6.011 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.629 -10.053 -7.116 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.359 -9.674 -5.970 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.346 -10.739 -6.085 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.162 -11.597 -7.543 1.00 0.00 H new ATOM 35 N HIS A 3 -2.782 -8.826 -3.779 1.00 0.00 N ATOM 36 CA HIS A 3 -1.661 -8.099 -3.156 1.00 0.00 C ATOM 37 C HIS A 3 -2.014 -7.521 -1.785 1.00 0.00 C ATOM 38 O HIS A 3 -1.103 -7.132 -1.063 1.00 0.00 O ATOM 39 CB HIS A 3 -1.131 -6.981 -4.085 1.00 0.00 C ATOM 40 CG HIS A 3 -0.342 -7.466 -5.275 1.00 0.00 C ATOM 41 ND1 HIS A 3 0.841 -8.155 -5.159 1.00 0.00 N ATOM 42 CD2 HIS A 3 -0.550 -7.331 -6.603 1.00 0.00 C ATOM 43 CE1 HIS A 3 1.319 -8.413 -6.354 1.00 0.00 C ATOM 44 NE2 HIS A 3 0.492 -7.924 -7.251 1.00 0.00 N ATOM 0 H HIS A 3 -3.235 -8.314 -4.537 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.873 -8.837 -3.002 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.977 -6.394 -4.443 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.503 -6.310 -3.500 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.392 -6.840 -7.068 1.00 0.00 H new ATOM 0 HE1 HIS A 3 2.238 -8.939 -6.565 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.610 -7.979 -8.263 1.00 0.00 H new ATOM 53 N LEU A 4 -3.318 -7.491 -1.419 1.00 0.00 N ATOM 54 CA LEU A 4 -3.780 -6.929 -0.113 1.00 0.00 C ATOM 55 C LEU A 4 -3.079 -7.626 1.083 1.00 0.00 C ATOM 56 O LEU A 4 -2.818 -7.000 2.108 1.00 0.00 O ATOM 57 CB LEU A 4 -5.342 -7.011 0.050 1.00 0.00 C ATOM 58 CG LEU A 4 -5.962 -8.353 0.599 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.471 -8.204 0.892 1.00 0.00 C ATOM 60 CD2 LEU A 4 -5.706 -9.553 -0.340 1.00 0.00 C ATOM 0 H LEU A 4 -4.073 -7.848 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.501 -5.875 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.651 -6.205 0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.790 -6.810 -0.923 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.449 -8.562 1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.864 -9.149 1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.621 -7.425 1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.995 -7.933 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.154 -10.451 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.151 -9.353 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.632 -9.703 -0.455 1.00 0.00 H new ATOM 72 N GLU A 5 -2.752 -8.923 0.878 1.00 0.00 N ATOM 73 CA GLU A 5 -2.113 -9.797 1.869 1.00 0.00 C ATOM 74 C GLU A 5 -0.684 -9.319 2.171 1.00 0.00 C ATOM 75 O GLU A 5 -0.325 -9.103 3.330 1.00 0.00 O ATOM 76 CB GLU A 5 -2.093 -11.260 1.334 1.00 0.00 C ATOM 77 CG GLU A 5 -1.373 -12.294 2.233 1.00 0.00 C ATOM 78 CD GLU A 5 -2.089 -12.552 3.567 1.00 0.00 C ATOM 79 OE1 GLU A 5 -2.999 -13.404 3.593 1.00 0.00 O ATOM 80 OE2 GLU A 5 -1.762 -11.899 4.589 1.00 0.00 O ATOM 0 H GLU A 5 -2.933 -9.396 -0.007 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.685 -9.760 2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.122 -11.588 1.187 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.615 -11.263 0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.283 -13.235 1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.360 -11.945 2.435 1.00 0.00 H new ATOM 87 N ALA A 6 0.112 -9.146 1.106 1.00 0.00 N ATOM 88 CA ALA A 6 1.514 -8.726 1.223 1.00 0.00 C ATOM 89 C ALA A 6 1.628 -7.269 1.702 1.00 0.00 C ATOM 90 O ALA A 6 2.554 -6.939 2.427 1.00 0.00 O ATOM 91 CB ALA A 6 2.252 -8.937 -0.102 1.00 0.00 C ATOM 0 H ALA A 6 -0.197 -9.293 0.145 1.00 0.00 H new ATOM 0 HA ALA A 6 1.990 -9.351 1.979 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.289 -8.620 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.221 -9.993 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.771 -8.349 -0.884 1.00 0.00 H new ATOM 97 N VAL A 7 0.653 -6.421 1.323 1.00 0.00 N ATOM 98 CA VAL A 7 0.628 -5.001 1.727 1.00 0.00 C ATOM 99 C VAL A 7 0.361 -4.878 3.250 1.00 0.00 C ATOM 100 O VAL A 7 1.100 -4.180 3.961 1.00 0.00 O ATOM 101 CB VAL A 7 -0.448 -4.170 0.924 1.00 0.00 C ATOM 102 CG1 VAL A 7 -0.533 -2.721 1.457 1.00 0.00 C ATOM 103 CG2 VAL A 7 -0.164 -4.165 -0.598 1.00 0.00 C ATOM 0 H VAL A 7 -0.133 -6.697 0.734 1.00 0.00 H new ATOM 0 HA VAL A 7 1.608 -4.584 1.493 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.409 -4.661 1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.281 -2.168 0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.816 -2.737 2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.437 -2.236 1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.930 -3.581 -1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.814 -3.722 -0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.176 -5.188 -0.974 1.00 0.00 H new ATOM 113 N ARG A 8 -0.677 -5.598 3.748 1.00 0.00 N ATOM 114 CA ARG A 8 -1.047 -5.570 5.189 1.00 0.00 C ATOM 115 C ARG A 8 0.053 -6.230 6.018 1.00 0.00 C ATOM 116 O ARG A 8 0.303 -5.830 7.154 1.00 0.00 O ATOM 117 CB ARG A 8 -2.419 -6.250 5.453 1.00 0.00 C ATOM 118 CG ARG A 8 -2.481 -7.773 5.199 1.00 0.00 C ATOM 119 CD ARG A 8 -3.909 -8.326 5.304 1.00 0.00 C ATOM 120 NE ARG A 8 -3.974 -9.779 5.097 1.00 0.00 N ATOM 121 CZ ARG A 8 -5.110 -10.499 5.053 1.00 0.00 C ATOM 122 NH1 ARG A 8 -6.298 -9.916 5.215 1.00 0.00 N ATOM 123 NH2 ARG A 8 -5.053 -11.802 4.867 1.00 0.00 N ATOM 0 H ARG A 8 -1.270 -6.202 3.178 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.148 -4.527 5.489 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.701 -6.063 6.489 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.168 -5.766 4.826 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.082 -7.990 4.208 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.842 -8.285 5.919 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.316 -8.085 6.286 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.541 -7.830 4.567 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.093 -10.279 4.978 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.355 -8.910 5.375 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.150 -10.476 5.179 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.150 -12.262 4.757 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.912 -12.350 4.833 1.00 0.00 H new ATOM 137 N ASN A 9 0.745 -7.205 5.398 1.00 0.00 N ATOM 138 CA ASN A 9 1.880 -7.901 6.004 1.00 0.00 C ATOM 139 C ASN A 9 3.015 -6.902 6.291 1.00 0.00 C ATOM 140 O ASN A 9 3.566 -6.881 7.396 1.00 0.00 O ATOM 141 CB ASN A 9 2.353 -9.022 5.058 1.00 0.00 C ATOM 142 CG ASN A 9 3.566 -9.807 5.547 1.00 0.00 C ATOM 143 OD1 ASN A 9 3.775 -9.997 6.744 1.00 0.00 O ATOM 144 ND2 ASN A 9 4.380 -10.272 4.611 1.00 0.00 N ATOM 0 H ASN A 9 0.525 -7.529 4.456 1.00 0.00 H new ATOM 0 HA ASN A 9 1.578 -8.348 6.951 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.528 -9.717 4.901 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.589 -8.584 4.088 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.209 -10.805 4.875 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.178 -10.097 3.627 1.00 0.00 H new ATOM 151 N ILE A 10 3.307 -6.062 5.280 1.00 0.00 N ATOM 152 CA ILE A 10 4.345 -5.019 5.349 1.00 0.00 C ATOM 153 C ILE A 10 4.039 -3.986 6.443 1.00 0.00 C ATOM 154 O ILE A 10 4.866 -3.762 7.322 1.00 0.00 O ATOM 155 CB ILE A 10 4.512 -4.286 3.963 1.00 0.00 C ATOM 156 CG1 ILE A 10 5.078 -5.261 2.892 1.00 0.00 C ATOM 157 CG2 ILE A 10 5.397 -3.020 4.079 1.00 0.00 C ATOM 158 CD1 ILE A 10 5.235 -4.660 1.507 1.00 0.00 C ATOM 0 H ILE A 10 2.823 -6.090 4.383 1.00 0.00 H new ATOM 0 HA ILE A 10 5.279 -5.522 5.599 1.00 0.00 H new ATOM 0 HB ILE A 10 3.522 -3.958 3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.049 -5.624 3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.420 -6.127 2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.485 -2.547 3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.942 -2.321 4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.388 -3.300 4.437 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.635 -5.412 0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.264 -4.323 1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.919 -3.812 1.554 1.00 0.00 H new ATOM 170 N LEU A 11 2.854 -3.352 6.375 1.00 0.00 N ATOM 171 CA LEU A 11 2.483 -2.287 7.325 1.00 0.00 C ATOM 172 C LEU A 11 2.359 -2.834 8.761 1.00 0.00 C ATOM 173 O LEU A 11 2.699 -2.143 9.711 1.00 0.00 O ATOM 174 CB LEU A 11 1.193 -1.536 6.880 1.00 0.00 C ATOM 175 CG LEU A 11 1.390 -0.442 5.769 1.00 0.00 C ATOM 176 CD1 LEU A 11 1.740 -1.044 4.389 1.00 0.00 C ATOM 177 CD2 LEU A 11 0.173 0.498 5.692 1.00 0.00 C ATOM 0 H LEU A 11 2.140 -3.557 5.676 1.00 0.00 H new ATOM 0 HA LEU A 11 3.291 -1.555 7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.474 -2.271 6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.750 -1.062 7.756 1.00 0.00 H new ATOM 0 HG LEU A 11 2.254 0.153 6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.864 -0.241 3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.667 -1.612 4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.936 -1.705 4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.338 1.244 4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.720 -0.081 5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.038 0.997 6.651 1.00 0.00 H new ATOM 189 N GLY A 12 1.901 -4.083 8.907 1.00 0.00 N ATOM 190 CA GLY A 12 1.847 -4.729 10.212 1.00 0.00 C ATOM 191 C GLY A 12 3.203 -5.216 10.699 1.00 0.00 C ATOM 192 O GLY A 12 3.357 -5.517 11.887 1.00 0.00 O ATOM 0 H GLY A 12 1.565 -4.660 8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.438 -4.028 10.940 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.161 -5.575 10.163 1.00 0.00 H new ATOM 196 N ASP A 13 4.168 -5.349 9.778 1.00 0.00 N ATOM 197 CA ASP A 13 5.558 -5.701 10.124 1.00 0.00 C ATOM 198 C ASP A 13 6.311 -4.459 10.642 1.00 0.00 C ATOM 199 O ASP A 13 6.880 -4.481 11.738 1.00 0.00 O ATOM 200 CB ASP A 13 6.287 -6.309 8.898 1.00 0.00 C ATOM 201 CG ASP A 13 7.721 -6.765 9.206 1.00 0.00 C ATOM 202 OD1 ASP A 13 7.892 -7.795 9.885 1.00 0.00 O ATOM 203 OD2 ASP A 13 8.680 -6.105 8.766 1.00 0.00 O ATOM 0 H ASP A 13 4.012 -5.217 8.779 1.00 0.00 H new ATOM 0 HA ASP A 13 5.539 -6.450 10.916 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.714 -7.160 8.529 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.313 -5.571 8.097 1.00 0.00 H new ATOM 208 N VAL A 14 6.274 -3.380 9.845 1.00 0.00 N ATOM 209 CA VAL A 14 6.969 -2.110 10.131 1.00 0.00 C ATOM 210 C VAL A 14 6.346 -1.442 11.363 1.00 0.00 C ATOM 211 O VAL A 14 7.013 -1.255 12.384 1.00 0.00 O ATOM 212 CB VAL A 14 6.907 -1.131 8.891 1.00 0.00 C ATOM 213 CG1 VAL A 14 7.638 0.209 9.173 1.00 0.00 C ATOM 214 CG2 VAL A 14 7.467 -1.816 7.622 1.00 0.00 C ATOM 0 H VAL A 14 5.752 -3.363 8.969 1.00 0.00 H new ATOM 0 HA VAL A 14 8.017 -2.332 10.331 1.00 0.00 H new ATOM 0 HB VAL A 14 5.858 -0.892 8.716 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.571 0.852 8.295 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.171 0.706 10.023 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.686 0.011 9.399 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.414 -1.124 6.782 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.505 -2.103 7.791 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.877 -2.705 7.398 1.00 0.00 H new ATOM 224 N LEU A 15 5.030 -1.164 11.274 1.00 0.00 N ATOM 225 CA LEU A 15 4.278 -0.442 12.323 1.00 0.00 C ATOM 226 C LEU A 15 3.963 -1.364 13.514 1.00 0.00 C ATOM 227 O LEU A 15 3.435 -0.899 14.528 1.00 0.00 O ATOM 228 CB LEU A 15 2.966 0.138 11.746 1.00 0.00 C ATOM 229 CG LEU A 15 3.095 1.045 10.485 1.00 0.00 C ATOM 230 CD1 LEU A 15 1.703 1.473 9.966 1.00 0.00 C ATOM 231 CD2 LEU A 15 4.002 2.264 10.758 1.00 0.00 C ATOM 0 H LEU A 15 4.458 -1.433 10.474 1.00 0.00 H new ATOM 0 HA LEU A 15 4.904 0.377 12.678 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.306 -0.694 11.500 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.475 0.714 12.530 1.00 0.00 H new ATOM 0 HG LEU A 15 3.573 0.460 9.700 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.821 2.105 9.086 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.125 0.587 9.702 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.180 2.029 10.744 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.070 2.875 9.858 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.580 2.858 11.569 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.997 1.921 11.040 1.00 0.00 H new ATOM 243 N ASN A 16 4.253 -2.676 13.343 1.00 0.00 N ATOM 244 CA ASN A 16 4.180 -3.683 14.398 1.00 0.00 C ATOM 245 C ASN A 16 2.730 -3.824 14.921 1.00 0.00 C ATOM 246 O ASN A 16 2.406 -3.465 16.053 1.00 0.00 O ATOM 247 CB ASN A 16 5.245 -3.374 15.494 1.00 0.00 C ATOM 248 CG ASN A 16 5.288 -4.385 16.634 1.00 0.00 C ATOM 249 OD1 ASN A 16 5.993 -5.392 16.576 1.00 0.00 O ATOM 250 ND2 ASN A 16 4.527 -4.119 17.677 1.00 0.00 N ATOM 0 H ASN A 16 4.549 -3.059 12.445 1.00 0.00 H new ATOM 0 HA ASN A 16 4.432 -4.668 14.004 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.228 -3.331 15.026 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.046 -2.386 15.908 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.509 -4.758 18.472 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.956 -3.274 17.689 1.00 0.00 H new ATOM 257 N LEU A 17 1.841 -4.252 14.008 1.00 0.00 N ATOM 258 CA LEU A 17 0.452 -4.654 14.331 1.00 0.00 C ATOM 259 C LEU A 17 0.430 -6.133 14.767 1.00 0.00 C ATOM 260 O LEU A 17 -0.452 -6.551 15.524 1.00 0.00 O ATOM 261 CB LEU A 17 -0.506 -4.437 13.105 1.00 0.00 C ATOM 262 CG LEU A 17 -0.995 -2.973 12.812 1.00 0.00 C ATOM 263 CD1 LEU A 17 -1.860 -2.421 13.968 1.00 0.00 C ATOM 264 CD2 LEU A 17 0.178 -2.028 12.482 1.00 0.00 C ATOM 0 H LEU A 17 2.064 -4.331 13.016 1.00 0.00 H new ATOM 0 HA LEU A 17 0.094 -4.027 15.148 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.001 -4.806 12.213 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.387 -5.062 13.253 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.626 -3.020 11.925 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.180 -1.407 13.730 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.736 -3.056 14.102 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.275 -2.411 14.888 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.205 -1.027 12.286 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.867 -1.994 13.326 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.703 -2.394 11.600 1.00 0.00 H new ATOM 276 N GLY A 18 1.404 -6.914 14.252 1.00 0.00 N ATOM 277 CA GLY A 18 1.517 -8.338 14.560 1.00 0.00 C ATOM 278 C GLY A 18 0.380 -9.144 13.944 1.00 0.00 C ATOM 279 O GLY A 18 0.332 -9.297 12.733 1.00 0.00 O ATOM 0 H GLY A 18 2.124 -6.569 13.617 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.471 -8.715 14.191 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.516 -8.477 15.641 1.00 0.00 H new ATOM 283 N GLU A 19 -0.555 -9.611 14.779 1.00 0.00 N ATOM 284 CA GLU A 19 -1.728 -10.403 14.338 1.00 0.00 C ATOM 285 C GLU A 19 -2.808 -9.496 13.709 1.00 0.00 C ATOM 286 O GLU A 19 -3.588 -9.944 12.852 1.00 0.00 O ATOM 287 CB GLU A 19 -2.322 -11.160 15.554 1.00 0.00 C ATOM 288 CG GLU A 19 -2.929 -10.230 16.624 1.00 0.00 C ATOM 289 CD GLU A 19 -3.370 -10.953 17.900 1.00 0.00 C ATOM 290 OE1 GLU A 19 -4.442 -11.592 17.893 1.00 0.00 O ATOM 291 OE2 GLU A 19 -2.657 -10.865 18.922 1.00 0.00 O ATOM 0 H GLU A 19 -0.527 -9.454 15.786 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.401 -11.115 13.580 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.092 -11.847 15.203 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.540 -11.765 16.012 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.196 -9.467 16.886 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.788 -9.713 16.196 1.00 0.00 H new ATOM 298 N ARG A 20 -2.810 -8.208 14.134 1.00 0.00 N ATOM 299 CA ARG A 20 -3.859 -7.226 13.784 1.00 0.00 C ATOM 300 C ARG A 20 -3.879 -6.993 12.255 1.00 0.00 C ATOM 301 O ARG A 20 -4.946 -6.805 11.659 1.00 0.00 O ATOM 302 CB ARG A 20 -3.642 -5.884 14.580 1.00 0.00 C ATOM 303 CG ARG A 20 -4.919 -5.043 14.892 1.00 0.00 C ATOM 304 CD ARG A 20 -5.617 -4.445 13.654 1.00 0.00 C ATOM 305 NE ARG A 20 -6.917 -3.817 13.965 1.00 0.00 N ATOM 306 CZ ARG A 20 -8.072 -4.475 14.202 1.00 0.00 C ATOM 307 NH1 ARG A 20 -8.100 -5.795 14.379 1.00 0.00 N ATOM 308 NH2 ARG A 20 -9.201 -3.789 14.289 1.00 0.00 N ATOM 0 H ARG A 20 -2.079 -7.823 14.732 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.833 -7.621 14.072 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.152 -6.123 15.524 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.952 -5.259 14.013 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.631 -5.674 15.424 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.647 -4.231 15.566 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.962 -3.702 13.199 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.769 -5.232 12.915 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.945 -2.798 14.004 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.235 -6.334 14.337 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.987 -6.267 14.557 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.192 -2.775 14.177 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.080 -4.274 14.468 1.00 0.00 H new ATOM 322 N LYS A 21 -2.693 -7.077 11.631 1.00 0.00 N ATOM 323 CA LYS A 21 -2.529 -6.834 10.192 1.00 0.00 C ATOM 324 C LYS A 21 -3.283 -7.876 9.342 1.00 0.00 C ATOM 325 O LYS A 21 -3.822 -7.540 8.301 1.00 0.00 O ATOM 326 CB LYS A 21 -1.039 -6.810 9.808 1.00 0.00 C ATOM 327 CG LYS A 21 -0.348 -8.171 9.879 1.00 0.00 C ATOM 328 CD LYS A 21 1.154 -8.123 9.601 1.00 0.00 C ATOM 329 CE LYS A 21 1.761 -9.515 9.549 1.00 0.00 C ATOM 330 NZ LYS A 21 3.238 -9.475 9.398 1.00 0.00 N ATOM 0 H LYS A 21 -1.824 -7.315 12.110 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.964 -5.857 9.980 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.943 -6.420 8.795 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.517 -6.116 10.467 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.510 -8.598 10.869 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.818 -8.843 9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.333 -7.613 8.655 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.649 -7.539 10.377 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.505 -10.056 10.460 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.327 -10.069 8.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.664 -10.254 9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.487 -9.575 8.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.599 -8.568 9.756 1.00 0.00 H new ATOM 344 N HIS A 22 -3.341 -9.132 9.817 1.00 0.00 N ATOM 345 CA HIS A 22 -3.905 -10.249 9.027 1.00 0.00 C ATOM 346 C HIS A 22 -5.418 -10.379 9.281 1.00 0.00 C ATOM 347 O HIS A 22 -6.145 -10.952 8.461 1.00 0.00 O ATOM 348 CB HIS A 22 -3.165 -11.561 9.374 1.00 0.00 C ATOM 349 CG HIS A 22 -3.508 -12.740 8.499 1.00 0.00 C ATOM 350 ND1 HIS A 22 -2.897 -12.970 7.289 1.00 0.00 N ATOM 351 CD2 HIS A 22 -4.371 -13.773 8.678 1.00 0.00 C ATOM 352 CE1 HIS A 22 -3.363 -14.080 6.767 1.00 0.00 C ATOM 353 NE2 HIS A 22 -4.253 -14.587 7.587 1.00 0.00 N ATOM 0 H HIS A 22 -3.006 -9.403 10.742 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.764 -10.044 7.966 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.092 -11.382 9.311 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.385 -11.821 10.410 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -2.190 -12.370 6.863 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.027 -13.923 9.523 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -3.064 -14.505 5.820 1.00 0.00 H new ATOM 362 N THR A 23 -5.882 -9.830 10.424 1.00 0.00 N ATOM 363 CA THR A 23 -7.307 -9.877 10.821 1.00 0.00 C ATOM 364 C THR A 23 -8.065 -8.621 10.316 1.00 0.00 C ATOM 365 O THR A 23 -9.238 -8.418 10.649 1.00 0.00 O ATOM 366 CB THR A 23 -7.465 -10.059 12.376 1.00 0.00 C ATOM 367 OG1 THR A 23 -8.812 -10.436 12.709 1.00 0.00 O ATOM 368 CG2 THR A 23 -7.099 -8.795 13.162 1.00 0.00 C ATOM 0 H THR A 23 -5.285 -9.345 11.094 1.00 0.00 H new ATOM 0 HA THR A 23 -7.756 -10.749 10.347 1.00 0.00 H new ATOM 0 HB THR A 23 -6.769 -10.849 12.660 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.441 -9.896 12.187 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.227 -8.980 14.229 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.061 -8.530 12.962 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.748 -7.975 12.855 1.00 0.00 H new ATOM 376 N LEU A 24 -7.395 -7.783 9.498 1.00 0.00 N ATOM 377 CA LEU A 24 -8.048 -6.667 8.783 1.00 0.00 C ATOM 378 C LEU A 24 -8.121 -6.984 7.280 1.00 0.00 C ATOM 379 O LEU A 24 -7.326 -7.778 6.755 1.00 0.00 O ATOM 380 CB LEU A 24 -7.351 -5.296 9.096 1.00 0.00 C ATOM 381 CG LEU A 24 -5.831 -5.108 8.746 1.00 0.00 C ATOM 382 CD1 LEU A 24 -5.586 -4.863 7.243 1.00 0.00 C ATOM 383 CD2 LEU A 24 -5.193 -3.975 9.589 1.00 0.00 C ATOM 0 H LEU A 24 -6.394 -7.860 9.316 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.072 -6.560 9.142 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.906 -4.519 8.571 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.467 -5.106 10.163 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.345 -6.050 9.000 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.518 -4.741 7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.955 -5.714 6.671 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.112 -3.961 6.931 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.141 -3.871 9.322 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.712 -3.037 9.390 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.276 -4.219 10.648 1.00 0.00 H new ATOM 395 N THR A 25 -9.080 -6.349 6.604 1.00 0.00 N ATOM 396 CA THR A 25 -9.385 -6.582 5.183 1.00 0.00 C ATOM 397 C THR A 25 -9.016 -5.348 4.337 1.00 0.00 C ATOM 398 O THR A 25 -8.498 -4.356 4.860 1.00 0.00 O ATOM 399 CB THR A 25 -10.907 -6.912 5.016 1.00 0.00 C ATOM 400 OG1 THR A 25 -11.688 -5.907 5.689 1.00 0.00 O ATOM 401 CG2 THR A 25 -11.280 -8.303 5.566 1.00 0.00 C ATOM 0 H THR A 25 -9.680 -5.644 7.033 1.00 0.00 H new ATOM 0 HA THR A 25 -8.792 -7.427 4.833 1.00 0.00 H new ATOM 0 HB THR A 25 -11.122 -6.919 3.947 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.222 -5.414 5.032 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.347 -8.477 5.423 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.713 -9.068 5.035 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.044 -8.349 6.629 1.00 0.00 H new ATOM 409 N ALA A 26 -9.282 -5.423 3.019 1.00 0.00 N ATOM 410 CA ALA A 26 -9.037 -4.316 2.079 1.00 0.00 C ATOM 411 C ALA A 26 -9.966 -3.113 2.372 1.00 0.00 C ATOM 412 O ALA A 26 -9.608 -1.960 2.113 1.00 0.00 O ATOM 413 CB ALA A 26 -9.196 -4.814 0.639 1.00 0.00 C ATOM 0 H ALA A 26 -9.673 -6.255 2.577 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.014 -3.964 2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.014 -3.991 -0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.480 -5.613 0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.208 -5.192 0.494 1.00 0.00 H new ATOM 419 N SER A 27 -11.146 -3.410 2.947 1.00 0.00 N ATOM 420 CA SER A 27 -12.137 -2.391 3.359 1.00 0.00 C ATOM 421 C SER A 27 -11.757 -1.703 4.696 1.00 0.00 C ATOM 422 O SER A 27 -12.450 -0.771 5.133 1.00 0.00 O ATOM 423 CB SER A 27 -13.533 -3.051 3.443 1.00 0.00 C ATOM 424 OG SER A 27 -13.494 -4.251 4.200 1.00 0.00 O ATOM 0 H SER A 27 -11.443 -4.366 3.141 1.00 0.00 H new ATOM 0 HA SER A 27 -12.151 -1.601 2.608 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.239 -2.356 3.897 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.897 -3.265 2.438 1.00 0.00 H new ATOM 0 HG SER A 27 -14.391 -4.644 4.237 1.00 0.00 H new ATOM 430 N SER A 28 -10.661 -2.159 5.338 1.00 0.00 N ATOM 431 CA SER A 28 -10.123 -1.532 6.558 1.00 0.00 C ATOM 432 C SER A 28 -9.280 -0.295 6.193 1.00 0.00 C ATOM 433 O SER A 28 -8.521 -0.314 5.218 1.00 0.00 O ATOM 434 CB SER A 28 -9.268 -2.533 7.364 1.00 0.00 C ATOM 435 OG SER A 28 -8.810 -1.978 8.592 1.00 0.00 O ATOM 0 H SER A 28 -10.127 -2.970 5.024 1.00 0.00 H new ATOM 0 HA SER A 28 -10.964 -1.222 7.178 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.855 -3.429 7.568 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.412 -2.843 6.765 1.00 0.00 H new ATOM 0 HG SER A 28 -7.886 -2.260 8.754 1.00 0.00 H new ATOM 441 N VAL A 29 -9.409 0.754 7.017 1.00 0.00 N ATOM 442 CA VAL A 29 -8.685 2.027 6.864 1.00 0.00 C ATOM 443 C VAL A 29 -7.258 1.867 7.436 1.00 0.00 C ATOM 444 O VAL A 29 -7.034 1.030 8.318 1.00 0.00 O ATOM 445 CB VAL A 29 -9.473 3.189 7.599 1.00 0.00 C ATOM 446 CG1 VAL A 29 -8.790 4.575 7.469 1.00 0.00 C ATOM 447 CG2 VAL A 29 -10.938 3.247 7.101 1.00 0.00 C ATOM 0 H VAL A 29 -10.031 0.743 7.825 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.611 2.291 5.809 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.463 2.947 8.662 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.383 5.323 7.995 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.792 4.531 7.904 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.715 4.846 6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.466 4.050 7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.950 3.434 6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.431 2.297 7.309 1.00 0.00 H new ATOM 457 N LEU A 30 -6.293 2.639 6.900 1.00 0.00 N ATOM 458 CA LEU A 30 -4.891 2.635 7.382 1.00 0.00 C ATOM 459 C LEU A 30 -4.511 4.033 7.902 1.00 0.00 C ATOM 460 O LEU A 30 -4.331 4.226 9.107 1.00 0.00 O ATOM 461 CB LEU A 30 -3.937 2.168 6.254 1.00 0.00 C ATOM 462 CG LEU A 30 -4.211 0.742 5.682 1.00 0.00 C ATOM 463 CD1 LEU A 30 -3.293 0.457 4.484 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.077 -0.352 6.775 1.00 0.00 C ATOM 0 H LEU A 30 -6.458 3.281 6.125 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.795 1.931 8.208 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.994 2.885 5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.915 2.197 6.632 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.243 0.714 5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.498 -0.542 4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.477 1.193 3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.252 0.517 4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.275 -1.330 6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.067 -0.336 7.184 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.795 -0.159 7.572 1.00 0.00 H new ATOM 476 N LEU A 31 -4.390 5.001 6.977 1.00 0.00 N ATOM 477 CA LEU A 31 -4.126 6.414 7.308 1.00 0.00 C ATOM 478 C LEU A 31 -5.358 6.998 8.025 1.00 0.00 C ATOM 479 O LEU A 31 -6.469 6.957 7.496 1.00 0.00 O ATOM 480 CB LEU A 31 -3.770 7.207 6.004 1.00 0.00 C ATOM 481 CG LEU A 31 -2.884 8.489 6.163 1.00 0.00 C ATOM 482 CD1 LEU A 31 -2.366 8.975 4.799 1.00 0.00 C ATOM 483 CD2 LEU A 31 -3.607 9.633 6.910 1.00 0.00 C ATOM 0 H LEU A 31 -4.473 4.826 5.976 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.272 6.497 7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.259 6.526 5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.703 7.499 5.521 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.034 8.199 6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.754 9.866 4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.766 8.191 4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.211 9.213 4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.942 10.493 6.989 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.504 9.917 6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.885 9.297 7.909 1.00 0.00 H new ATOM 495 N GLY A 32 -5.142 7.509 9.244 1.00 0.00 N ATOM 496 CA GLY A 32 -6.219 7.989 10.108 1.00 0.00 C ATOM 497 C GLY A 32 -6.623 6.949 11.150 1.00 0.00 C ATOM 498 O GLY A 32 -6.971 7.294 12.283 1.00 0.00 O ATOM 0 H GLY A 32 -4.213 7.600 9.656 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.900 8.902 10.611 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.085 8.247 9.498 1.00 0.00 H new ATOM 502 N ASN A 33 -6.564 5.662 10.760 1.00 0.00 N ATOM 503 CA ASN A 33 -6.966 4.539 11.623 1.00 0.00 C ATOM 504 C ASN A 33 -5.797 4.085 12.520 1.00 0.00 C ATOM 505 O ASN A 33 -5.845 4.268 13.746 1.00 0.00 O ATOM 506 CB ASN A 33 -7.464 3.356 10.755 1.00 0.00 C ATOM 507 CG ASN A 33 -7.990 2.171 11.566 1.00 0.00 C ATOM 508 OD1 ASN A 33 -8.634 2.348 12.592 1.00 0.00 O ATOM 509 ND2 ASN A 33 -7.697 0.951 11.133 1.00 0.00 N ATOM 0 H ASN A 33 -6.236 5.373 9.838 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.777 4.876 12.268 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.255 3.711 10.094 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.647 3.015 10.120 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.010 0.135 11.658 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.159 0.830 10.275 1.00 0.00 H new ATOM 516 N ILE A 34 -4.747 3.512 11.892 1.00 0.00 N ATOM 517 CA ILE A 34 -3.621 2.885 12.607 1.00 0.00 C ATOM 518 C ILE A 34 -2.853 3.951 13.421 1.00 0.00 C ATOM 519 O ILE A 34 -2.322 4.894 12.828 1.00 0.00 O ATOM 520 CB ILE A 34 -2.617 2.151 11.628 1.00 0.00 C ATOM 521 CG1 ILE A 34 -3.375 1.166 10.670 1.00 0.00 C ATOM 522 CG2 ILE A 34 -1.497 1.416 12.410 1.00 0.00 C ATOM 523 CD1 ILE A 34 -4.144 0.042 11.358 1.00 0.00 C ATOM 0 H ILE A 34 -4.659 3.473 10.877 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.045 2.133 13.273 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.143 2.916 11.013 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.074 1.742 10.064 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.651 0.722 9.987 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.826 0.923 11.707 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.935 2.137 13.004 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.942 0.671 13.069 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.630 -0.579 10.606 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.454 -0.567 11.941 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.898 0.469 12.019 1.00 0.00 H new ATOM 535 N PRO A 35 -2.768 3.811 14.784 1.00 0.00 N ATOM 536 CA PRO A 35 -2.145 4.838 15.660 1.00 0.00 C ATOM 537 C PRO A 35 -0.606 4.872 15.537 1.00 0.00 C ATOM 538 O PRO A 35 0.050 5.751 16.099 1.00 0.00 O ATOM 539 CB PRO A 35 -2.611 4.409 17.076 1.00 0.00 C ATOM 540 CG PRO A 35 -2.757 2.922 16.986 1.00 0.00 C ATOM 541 CD PRO A 35 -3.252 2.640 15.580 1.00 0.00 C ATOM 0 HA PRO A 35 -2.443 5.853 15.398 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.883 4.691 17.836 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.554 4.885 17.345 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.806 2.424 17.173 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.462 2.552 17.730 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.850 1.703 15.196 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.338 2.557 15.548 1.00 0.00 H new ATOM 549 N GLU A 36 -0.045 3.909 14.783 1.00 0.00 N ATOM 550 CA GLU A 36 1.402 3.795 14.547 1.00 0.00 C ATOM 551 C GLU A 36 1.793 4.453 13.214 1.00 0.00 C ATOM 552 O GLU A 36 2.972 4.716 12.963 1.00 0.00 O ATOM 553 CB GLU A 36 1.794 2.295 14.558 1.00 0.00 C ATOM 554 CG GLU A 36 1.388 1.537 15.838 1.00 0.00 C ATOM 555 CD GLU A 36 1.917 2.183 17.134 1.00 0.00 C ATOM 556 OE1 GLU A 36 3.115 2.025 17.448 1.00 0.00 O ATOM 557 OE2 GLU A 36 1.140 2.858 17.835 1.00 0.00 O ATOM 0 H GLU A 36 -0.590 3.183 14.317 1.00 0.00 H new ATOM 0 HA GLU A 36 1.941 4.317 15.338 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.333 1.806 13.700 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.873 2.214 14.430 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.301 1.482 15.888 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.757 0.513 15.776 1.00 0.00 H new ATOM 564 N LEU A 37 0.782 4.729 12.372 1.00 0.00 N ATOM 565 CA LEU A 37 0.981 5.337 11.047 1.00 0.00 C ATOM 566 C LEU A 37 1.044 6.867 11.231 1.00 0.00 C ATOM 567 O LEU A 37 0.026 7.561 11.180 1.00 0.00 O ATOM 568 CB LEU A 37 -0.159 4.858 10.068 1.00 0.00 C ATOM 569 CG LEU A 37 0.004 5.132 8.523 1.00 0.00 C ATOM 570 CD1 LEU A 37 -0.316 6.591 8.140 1.00 0.00 C ATOM 571 CD2 LEU A 37 1.406 4.708 8.025 1.00 0.00 C ATOM 0 H LEU A 37 -0.195 4.537 12.592 1.00 0.00 H new ATOM 0 HA LEU A 37 1.918 5.021 10.589 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.280 3.783 10.202 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.089 5.326 10.390 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.735 4.513 8.015 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.187 6.722 7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.346 6.821 8.413 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.359 7.263 8.671 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.489 4.909 6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.169 5.273 8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.550 3.643 8.206 1.00 0.00 H new ATOM 583 N ASP A 38 2.248 7.361 11.546 1.00 0.00 N ATOM 584 CA ASP A 38 2.543 8.800 11.709 1.00 0.00 C ATOM 585 C ASP A 38 3.416 9.275 10.506 1.00 0.00 C ATOM 586 O ASP A 38 3.632 8.500 9.580 1.00 0.00 O ATOM 587 CB ASP A 38 3.247 8.995 13.094 1.00 0.00 C ATOM 588 CG ASP A 38 3.203 10.443 13.618 1.00 0.00 C ATOM 589 OD1 ASP A 38 2.145 10.875 14.116 1.00 0.00 O ATOM 590 OD2 ASP A 38 4.213 11.169 13.505 1.00 0.00 O ATOM 0 H ASP A 38 3.062 6.766 11.699 1.00 0.00 H new ATOM 0 HA ASP A 38 1.639 9.409 11.705 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.775 8.340 13.826 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.287 8.681 13.009 1.00 0.00 H new ATOM 595 N SER A 39 3.909 10.530 10.543 1.00 0.00 N ATOM 596 CA SER A 39 4.637 11.212 9.435 1.00 0.00 C ATOM 597 C SER A 39 5.803 10.369 8.806 1.00 0.00 C ATOM 598 O SER A 39 5.690 9.852 7.675 1.00 0.00 O ATOM 599 CB SER A 39 5.176 12.552 10.008 1.00 0.00 C ATOM 600 OG SER A 39 5.867 13.322 9.036 1.00 0.00 O ATOM 0 H SER A 39 3.812 11.122 11.368 1.00 0.00 H new ATOM 0 HA SER A 39 3.940 11.365 8.611 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.344 13.135 10.404 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.844 12.343 10.843 1.00 0.00 H new ATOM 605 N MET A 40 6.906 10.191 9.559 1.00 0.00 N ATOM 606 CA MET A 40 8.061 9.385 9.098 1.00 0.00 C ATOM 607 C MET A 40 7.665 7.913 8.876 1.00 0.00 C ATOM 608 O MET A 40 8.287 7.223 8.072 1.00 0.00 O ATOM 609 CB MET A 40 9.243 9.468 10.090 1.00 0.00 C ATOM 610 CG MET A 40 9.829 10.869 10.265 1.00 0.00 C ATOM 611 SD MET A 40 10.554 11.507 8.741 1.00 0.00 S ATOM 612 CE MET A 40 11.169 13.095 9.299 1.00 0.00 C ATOM 0 H MET A 40 7.025 10.593 10.489 1.00 0.00 H new ATOM 0 HA MET A 40 8.381 9.807 8.145 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.911 9.103 11.062 1.00 0.00 H new ATOM 0 HB3 MET A 40 10.033 8.798 9.751 1.00 0.00 H new ATOM 0 HG2 MET A 40 9.046 11.548 10.603 1.00 0.00 H new ATOM 0 HG3 MET A 40 10.590 10.847 11.045 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.352 13.737 8.438 1.00 0.00 H new ATOM 0 HE2 MET A 40 10.431 13.563 9.950 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.099 12.952 9.849 1.00 0.00 H new ATOM 622 N ALA A 41 6.617 7.466 9.585 1.00 0.00 N ATOM 623 CA ALA A 41 6.078 6.107 9.457 1.00 0.00 C ATOM 624 C ALA A 41 5.380 5.877 8.097 1.00 0.00 C ATOM 625 O ALA A 41 5.369 4.742 7.617 1.00 0.00 O ATOM 626 CB ALA A 41 5.133 5.808 10.619 1.00 0.00 C ATOM 0 H ALA A 41 6.119 8.041 10.265 1.00 0.00 H new ATOM 0 HA ALA A 41 6.917 5.413 9.495 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.738 4.797 10.516 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.676 5.891 11.560 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.310 6.522 10.611 1.00 0.00 H new ATOM 632 N VAL A 42 4.793 6.949 7.478 1.00 0.00 N ATOM 633 CA VAL A 42 4.247 6.854 6.097 1.00 0.00 C ATOM 634 C VAL A 42 5.413 6.617 5.131 1.00 0.00 C ATOM 635 O VAL A 42 5.320 5.796 4.219 1.00 0.00 O ATOM 636 CB VAL A 42 3.380 8.109 5.600 1.00 0.00 C ATOM 637 CG1 VAL A 42 2.384 8.589 6.673 1.00 0.00 C ATOM 638 CG2 VAL A 42 4.226 9.301 5.051 1.00 0.00 C ATOM 0 H VAL A 42 4.690 7.868 7.909 1.00 0.00 H new ATOM 0 HA VAL A 42 3.541 6.023 6.111 1.00 0.00 H new ATOM 0 HB VAL A 42 2.814 7.729 4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.820 9.440 6.291 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.697 7.780 6.920 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.929 8.888 7.568 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.561 10.105 4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.892 9.665 5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.817 8.966 4.199 1.00 0.00 H new ATOM 648 N VAL A 43 6.528 7.324 5.393 1.00 0.00 N ATOM 649 CA VAL A 43 7.739 7.232 4.539 1.00 0.00 C ATOM 650 C VAL A 43 8.370 5.837 4.651 1.00 0.00 C ATOM 651 O VAL A 43 8.812 5.258 3.660 1.00 0.00 O ATOM 652 CB VAL A 43 8.801 8.323 4.924 1.00 0.00 C ATOM 653 CG1 VAL A 43 9.887 8.485 3.832 1.00 0.00 C ATOM 654 CG2 VAL A 43 8.105 9.652 5.239 1.00 0.00 C ATOM 0 H VAL A 43 6.621 7.963 6.183 1.00 0.00 H new ATOM 0 HA VAL A 43 7.426 7.407 3.510 1.00 0.00 H new ATOM 0 HB VAL A 43 9.319 7.989 5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.601 9.249 4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.407 7.537 3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.418 8.782 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.852 10.400 5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.550 9.988 4.363 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.417 9.514 6.073 1.00 0.00 H new ATOM 664 N ASN A 44 8.379 5.327 5.887 1.00 0.00 N ATOM 665 CA ASN A 44 8.955 4.027 6.255 1.00 0.00 C ATOM 666 C ASN A 44 8.201 2.856 5.602 1.00 0.00 C ATOM 667 O ASN A 44 8.832 1.919 5.095 1.00 0.00 O ATOM 668 CB ASN A 44 8.981 3.904 7.809 1.00 0.00 C ATOM 669 CG ASN A 44 10.122 4.707 8.466 1.00 0.00 C ATOM 670 OD1 ASN A 44 11.221 4.803 7.925 1.00 0.00 O ATOM 671 ND2 ASN A 44 9.865 5.308 9.616 1.00 0.00 N ATOM 0 H ASN A 44 7.974 5.821 6.683 1.00 0.00 H new ATOM 0 HA ASN A 44 9.976 3.974 5.876 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.027 4.247 8.210 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.082 2.853 8.082 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.587 5.866 10.073 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.945 5.214 10.046 1.00 0.00 H new ATOM 678 N VAL A 45 6.855 2.916 5.602 1.00 0.00 N ATOM 679 CA VAL A 45 6.034 1.854 4.994 1.00 0.00 C ATOM 680 C VAL A 45 6.113 1.904 3.458 1.00 0.00 C ATOM 681 O VAL A 45 6.090 0.849 2.829 1.00 0.00 O ATOM 682 CB VAL A 45 4.541 1.862 5.482 1.00 0.00 C ATOM 683 CG1 VAL A 45 4.454 1.537 6.992 1.00 0.00 C ATOM 684 CG2 VAL A 45 3.840 3.195 5.164 1.00 0.00 C ATOM 0 H VAL A 45 6.319 3.681 6.012 1.00 0.00 H new ATOM 0 HA VAL A 45 6.460 0.911 5.336 1.00 0.00 H new ATOM 0 HB VAL A 45 4.015 1.082 4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.411 1.548 7.307 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.878 0.550 7.177 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.012 2.283 7.558 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.810 3.158 5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.366 4.010 5.661 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.847 3.362 4.087 1.00 0.00 H new ATOM 694 N ILE A 46 6.251 3.122 2.864 1.00 0.00 N ATOM 695 CA ILE A 46 6.473 3.266 1.393 1.00 0.00 C ATOM 696 C ILE A 46 7.782 2.563 1.000 1.00 0.00 C ATOM 697 O ILE A 46 7.804 1.759 0.066 1.00 0.00 O ATOM 698 CB ILE A 46 6.521 4.776 0.920 1.00 0.00 C ATOM 699 CG1 ILE A 46 5.155 5.476 1.177 1.00 0.00 C ATOM 700 CG2 ILE A 46 6.929 4.905 -0.579 1.00 0.00 C ATOM 701 CD1 ILE A 46 5.130 6.975 0.915 1.00 0.00 C ATOM 0 H ILE A 46 6.214 4.007 3.370 1.00 0.00 H new ATOM 0 HA ILE A 46 5.622 2.802 0.894 1.00 0.00 H new ATOM 0 HB ILE A 46 7.288 5.276 1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.400 5.002 0.550 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.865 5.301 2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.949 5.958 -0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.918 4.471 -0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.205 4.377 -1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.134 7.364 1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.856 7.469 1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.383 7.166 -0.128 1.00 0.00 H new ATOM 713 N THR A 47 8.849 2.863 1.771 1.00 0.00 N ATOM 714 CA THR A 47 10.188 2.277 1.591 1.00 0.00 C ATOM 715 C THR A 47 10.116 0.741 1.642 1.00 0.00 C ATOM 716 O THR A 47 10.701 0.059 0.802 1.00 0.00 O ATOM 717 CB THR A 47 11.190 2.797 2.682 1.00 0.00 C ATOM 718 OG1 THR A 47 11.242 4.236 2.641 1.00 0.00 O ATOM 719 CG2 THR A 47 12.619 2.240 2.500 1.00 0.00 C ATOM 0 H THR A 47 8.801 3.527 2.544 1.00 0.00 H new ATOM 0 HA THR A 47 10.554 2.587 0.612 1.00 0.00 H new ATOM 0 HB THR A 47 10.820 2.445 3.645 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.410 4.604 3.005 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.266 2.635 3.283 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.596 1.152 2.562 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.005 2.540 1.526 1.00 0.00 H new ATOM 727 N ALA A 48 9.354 0.229 2.613 1.00 0.00 N ATOM 728 CA ALA A 48 9.160 -1.210 2.806 1.00 0.00 C ATOM 729 C ALA A 48 8.395 -1.860 1.629 1.00 0.00 C ATOM 730 O ALA A 48 8.730 -2.977 1.236 1.00 0.00 O ATOM 731 CB ALA A 48 8.466 -1.459 4.139 1.00 0.00 C ATOM 0 H ALA A 48 8.852 0.804 3.290 1.00 0.00 H new ATOM 0 HA ALA A 48 10.140 -1.688 2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.323 -2.530 4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.081 -1.065 4.948 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.497 -0.960 4.144 1.00 0.00 H new ATOM 737 N LEU A 49 7.393 -1.152 1.056 1.00 0.00 N ATOM 738 CA LEU A 49 6.692 -1.594 -0.189 1.00 0.00 C ATOM 739 C LEU A 49 7.736 -1.853 -1.305 1.00 0.00 C ATOM 740 O LEU A 49 7.766 -2.943 -1.915 1.00 0.00 O ATOM 741 CB LEU A 49 5.622 -0.527 -0.654 1.00 0.00 C ATOM 742 CG LEU A 49 4.132 -0.736 -0.206 1.00 0.00 C ATOM 743 CD1 LEU A 49 3.511 -1.967 -0.884 1.00 0.00 C ATOM 744 CD2 LEU A 49 3.989 -0.818 1.320 1.00 0.00 C ATOM 0 H LEU A 49 7.046 -0.269 1.432 1.00 0.00 H new ATOM 0 HA LEU A 49 6.156 -2.520 0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.945 0.450 -0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.641 -0.487 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 49 3.580 0.145 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.479 -2.083 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.532 -1.836 -1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.081 -2.857 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.940 -0.963 1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.575 -1.657 1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.350 0.107 1.769 1.00 0.00 H new ATOM 756 N GLU A 50 8.616 -0.844 -1.502 1.00 0.00 N ATOM 757 CA GLU A 50 9.729 -0.884 -2.479 1.00 0.00 C ATOM 758 C GLU A 50 10.631 -2.122 -2.249 1.00 0.00 C ATOM 759 O GLU A 50 10.985 -2.829 -3.198 1.00 0.00 O ATOM 760 CB GLU A 50 10.596 0.411 -2.369 1.00 0.00 C ATOM 761 CG GLU A 50 9.825 1.745 -2.315 1.00 0.00 C ATOM 762 CD GLU A 50 9.143 2.138 -3.624 1.00 0.00 C ATOM 763 OE1 GLU A 50 8.087 1.571 -3.957 1.00 0.00 O ATOM 764 OE2 GLU A 50 9.664 3.042 -4.324 1.00 0.00 O ATOM 0 H GLU A 50 8.572 0.032 -0.980 1.00 0.00 H new ATOM 0 HA GLU A 50 9.291 -0.948 -3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.212 0.335 -1.473 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.275 0.442 -3.221 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.070 1.682 -1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.516 2.538 -2.028 1.00 0.00 H new ATOM 771 N GLU A 51 10.979 -2.359 -0.967 1.00 0.00 N ATOM 772 CA GLU A 51 11.878 -3.452 -0.542 1.00 0.00 C ATOM 773 C GLU A 51 11.305 -4.850 -0.896 1.00 0.00 C ATOM 774 O GLU A 51 11.919 -5.599 -1.667 1.00 0.00 O ATOM 775 CB GLU A 51 12.151 -3.354 0.991 1.00 0.00 C ATOM 776 CG GLU A 51 12.916 -2.094 1.453 1.00 0.00 C ATOM 777 CD GLU A 51 14.324 -1.973 0.849 1.00 0.00 C ATOM 778 OE1 GLU A 51 15.249 -2.653 1.338 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.512 -1.218 -0.125 1.00 0.00 O ATOM 0 H GLU A 51 10.640 -1.791 -0.190 1.00 0.00 H new ATOM 0 HA GLU A 51 12.815 -3.337 -1.087 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.196 -3.390 1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.717 -4.234 1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.338 -1.210 1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.996 -2.106 2.540 1.00 0.00 H new ATOM 786 N TYR A 52 10.120 -5.167 -0.338 1.00 0.00 N ATOM 787 CA TYR A 52 9.516 -6.517 -0.432 1.00 0.00 C ATOM 788 C TYR A 52 9.099 -6.882 -1.869 1.00 0.00 C ATOM 789 O TYR A 52 9.395 -7.989 -2.334 1.00 0.00 O ATOM 790 CB TYR A 52 8.315 -6.655 0.539 1.00 0.00 C ATOM 791 CG TYR A 52 8.705 -6.657 2.033 1.00 0.00 C ATOM 792 CD1 TYR A 52 9.176 -7.817 2.652 1.00 0.00 C ATOM 793 CD2 TYR A 52 8.593 -5.513 2.823 1.00 0.00 C ATOM 794 CE1 TYR A 52 9.510 -7.828 3.995 1.00 0.00 C ATOM 795 CE2 TYR A 52 8.928 -5.519 4.158 1.00 0.00 C ATOM 796 CZ TYR A 52 9.383 -6.675 4.740 1.00 0.00 C ATOM 797 OH TYR A 52 9.701 -6.685 6.074 1.00 0.00 O ATOM 0 H TYR A 52 9.555 -4.501 0.188 1.00 0.00 H new ATOM 0 HA TYR A 52 10.289 -7.226 -0.137 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.620 -5.835 0.358 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.784 -7.579 0.313 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.281 -8.722 2.072 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.234 -4.598 2.375 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.869 -8.736 4.457 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.833 -4.617 4.745 1.00 0.00 H new ATOM 0 HH TYR A 52 8.935 -6.367 6.595 1.00 0.00 H new ATOM 807 N PHE A 53 8.420 -5.959 -2.578 1.00 0.00 N ATOM 808 CA PHE A 53 7.936 -6.231 -3.954 1.00 0.00 C ATOM 809 C PHE A 53 9.036 -5.976 -5.021 1.00 0.00 C ATOM 810 O PHE A 53 8.904 -6.467 -6.152 1.00 0.00 O ATOM 811 CB PHE A 53 6.696 -5.382 -4.285 1.00 0.00 C ATOM 812 CG PHE A 53 5.405 -5.707 -3.526 1.00 0.00 C ATOM 813 CD1 PHE A 53 5.116 -5.121 -2.296 1.00 0.00 C ATOM 814 CD2 PHE A 53 4.458 -6.576 -4.068 1.00 0.00 C ATOM 815 CE1 PHE A 53 3.923 -5.392 -1.644 1.00 0.00 C ATOM 816 CE2 PHE A 53 3.270 -6.834 -3.415 1.00 0.00 C ATOM 817 CZ PHE A 53 3.005 -6.247 -2.203 1.00 0.00 C ATOM 0 H PHE A 53 8.194 -5.027 -2.229 1.00 0.00 H new ATOM 0 HA PHE A 53 7.668 -7.287 -3.984 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.943 -4.336 -4.101 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.495 -5.479 -5.352 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.830 -4.448 -1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.658 -7.055 -5.015 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.714 -4.928 -0.691 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.546 -7.501 -3.859 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.078 -6.457 -1.691 1.00 0.00 H new ATOM 827 N ASP A 54 10.083 -5.186 -4.659 1.00 0.00 N ATOM 828 CA ASP A 54 11.234 -4.854 -5.552 1.00 0.00 C ATOM 829 C ASP A 54 10.794 -3.984 -6.747 1.00 0.00 C ATOM 830 O ASP A 54 11.170 -4.231 -7.905 1.00 0.00 O ATOM 831 CB ASP A 54 12.004 -6.132 -6.007 1.00 0.00 C ATOM 832 CG ASP A 54 12.767 -6.813 -4.861 1.00 0.00 C ATOM 833 OD1 ASP A 54 13.943 -6.458 -4.626 1.00 0.00 O ATOM 834 OD2 ASP A 54 12.195 -7.697 -4.185 1.00 0.00 O ATOM 0 H ASP A 54 10.155 -4.758 -3.736 1.00 0.00 H new ATOM 0 HA ASP A 54 11.935 -4.259 -4.967 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.297 -6.841 -6.437 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.707 -5.864 -6.796 1.00 0.00 H new ATOM 839 N PHE A 55 10.023 -2.934 -6.437 1.00 0.00 N ATOM 840 CA PHE A 55 9.485 -1.992 -7.442 1.00 0.00 C ATOM 841 C PHE A 55 9.610 -0.545 -6.925 1.00 0.00 C ATOM 842 O PHE A 55 10.229 -0.304 -5.877 1.00 0.00 O ATOM 843 CB PHE A 55 8.006 -2.364 -7.794 1.00 0.00 C ATOM 844 CG PHE A 55 6.943 -1.944 -6.761 1.00 0.00 C ATOM 845 CD1 PHE A 55 7.080 -2.268 -5.420 1.00 0.00 C ATOM 846 CD2 PHE A 55 5.808 -1.236 -7.145 1.00 0.00 C ATOM 847 CE1 PHE A 55 6.131 -1.895 -4.493 1.00 0.00 C ATOM 848 CE2 PHE A 55 4.856 -0.865 -6.216 1.00 0.00 C ATOM 849 CZ PHE A 55 5.018 -1.203 -4.890 1.00 0.00 C ATOM 0 H PHE A 55 9.751 -2.708 -5.480 1.00 0.00 H new ATOM 0 HA PHE A 55 10.067 -2.066 -8.361 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.755 -1.907 -8.751 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.946 -3.444 -7.930 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.947 -2.824 -5.095 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.670 -0.973 -8.183 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.265 -2.149 -3.452 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.984 -0.310 -6.529 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.268 -0.923 -4.165 1.00 0.00 H new ATOM 859 N SER A 56 9.050 0.412 -7.687 1.00 0.00 N ATOM 860 CA SER A 56 8.945 1.809 -7.256 1.00 0.00 C ATOM 861 C SER A 56 7.540 2.373 -7.550 1.00 0.00 C ATOM 862 O SER A 56 7.124 2.445 -8.712 1.00 0.00 O ATOM 863 CB SER A 56 10.037 2.660 -7.932 1.00 0.00 C ATOM 864 OG SER A 56 10.099 3.962 -7.374 1.00 0.00 O ATOM 0 H SER A 56 8.661 0.235 -8.613 1.00 0.00 H new ATOM 0 HA SER A 56 9.098 1.850 -6.177 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.004 2.169 -7.821 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.836 2.730 -9.001 1.00 0.00 H new ATOM 0 HG SER A 56 9.982 3.908 -6.403 1.00 0.00 H new ATOM 870 N VAL A 57 6.812 2.752 -6.475 1.00 0.00 N ATOM 871 CA VAL A 57 5.512 3.448 -6.579 1.00 0.00 C ATOM 872 C VAL A 57 5.768 4.878 -7.130 1.00 0.00 C ATOM 873 O VAL A 57 6.680 5.566 -6.654 1.00 0.00 O ATOM 874 CB VAL A 57 4.765 3.535 -5.179 1.00 0.00 C ATOM 875 CG1 VAL A 57 3.300 3.994 -5.347 1.00 0.00 C ATOM 876 CG2 VAL A 57 4.825 2.209 -4.391 1.00 0.00 C ATOM 0 H VAL A 57 7.109 2.584 -5.514 1.00 0.00 H new ATOM 0 HA VAL A 57 4.867 2.881 -7.250 1.00 0.00 H new ATOM 0 HB VAL A 57 5.300 4.285 -4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.820 4.042 -4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.279 4.980 -5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.766 3.284 -5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.299 2.325 -3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.353 1.418 -4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.865 1.947 -4.199 1.00 0.00 H new ATOM 886 N ASP A 58 4.984 5.311 -8.133 1.00 0.00 N ATOM 887 CA ASP A 58 5.210 6.604 -8.822 1.00 0.00 C ATOM 888 C ASP A 58 4.729 7.772 -7.942 1.00 0.00 C ATOM 889 O ASP A 58 3.776 7.618 -7.181 1.00 0.00 O ATOM 890 CB ASP A 58 4.483 6.602 -10.189 1.00 0.00 C ATOM 891 CG ASP A 58 4.727 7.878 -11.006 1.00 0.00 C ATOM 892 OD1 ASP A 58 5.836 8.045 -11.541 1.00 0.00 O ATOM 893 OD2 ASP A 58 3.831 8.727 -11.103 1.00 0.00 O ATOM 0 H ASP A 58 4.185 4.786 -8.489 1.00 0.00 H new ATOM 0 HA ASP A 58 6.278 6.735 -8.997 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.813 5.739 -10.768 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.412 6.484 -10.023 1.00 0.00 H new ATOM 898 N ASP A 59 5.407 8.926 -8.034 1.00 0.00 N ATOM 899 CA ASP A 59 5.063 10.133 -7.249 1.00 0.00 C ATOM 900 C ASP A 59 3.608 10.598 -7.484 1.00 0.00 C ATOM 901 O ASP A 59 2.896 10.932 -6.531 1.00 0.00 O ATOM 902 CB ASP A 59 6.046 11.282 -7.581 1.00 0.00 C ATOM 903 CG ASP A 59 5.769 12.571 -6.783 1.00 0.00 C ATOM 904 OD1 ASP A 59 6.030 12.589 -5.562 1.00 0.00 O ATOM 905 OD2 ASP A 59 5.267 13.560 -7.357 1.00 0.00 O ATOM 0 H ASP A 59 6.208 9.054 -8.652 1.00 0.00 H new ATOM 0 HA ASP A 59 5.150 9.866 -6.196 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.064 10.950 -7.379 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.989 11.503 -8.647 1.00 0.00 H new ATOM 910 N ASP A 60 3.169 10.573 -8.755 1.00 0.00 N ATOM 911 CA ASP A 60 1.839 11.092 -9.167 1.00 0.00 C ATOM 912 C ASP A 60 0.687 10.196 -8.681 1.00 0.00 C ATOM 913 O ASP A 60 -0.472 10.616 -8.715 1.00 0.00 O ATOM 914 CB ASP A 60 1.752 11.243 -10.710 1.00 0.00 C ATOM 915 CG ASP A 60 2.810 12.190 -11.297 1.00 0.00 C ATOM 916 OD1 ASP A 60 2.846 13.369 -10.896 1.00 0.00 O ATOM 917 OD2 ASP A 60 3.595 11.766 -12.171 1.00 0.00 O ATOM 0 H ASP A 60 3.718 10.196 -9.527 1.00 0.00 H new ATOM 0 HA ASP A 60 1.733 12.070 -8.698 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.861 10.261 -11.169 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.761 11.610 -10.975 1.00 0.00 H new ATOM 922 N GLU A 61 1.004 8.960 -8.251 1.00 0.00 N ATOM 923 CA GLU A 61 -0.001 8.033 -7.684 1.00 0.00 C ATOM 924 C GLU A 61 0.114 7.971 -6.152 1.00 0.00 C ATOM 925 O GLU A 61 -0.752 7.388 -5.506 1.00 0.00 O ATOM 926 CB GLU A 61 0.124 6.613 -8.297 1.00 0.00 C ATOM 927 CG GLU A 61 1.353 5.816 -7.837 1.00 0.00 C ATOM 928 CD GLU A 61 1.481 4.437 -8.490 1.00 0.00 C ATOM 929 OE1 GLU A 61 0.908 3.454 -7.970 1.00 0.00 O ATOM 930 OE2 GLU A 61 2.166 4.331 -9.524 1.00 0.00 O ATOM 0 H GLU A 61 1.949 8.577 -8.284 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.986 8.422 -7.942 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.773 6.046 -8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.153 6.703 -9.383 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.251 6.395 -8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.309 5.692 -6.755 1.00 0.00 H new ATOM 937 N ILE A 62 1.206 8.540 -5.585 1.00 0.00 N ATOM 938 CA ILE A 62 1.394 8.653 -4.122 1.00 0.00 C ATOM 939 C ILE A 62 0.712 9.928 -3.590 1.00 0.00 C ATOM 940 O ILE A 62 1.079 11.049 -3.966 1.00 0.00 O ATOM 941 CB ILE A 62 2.927 8.643 -3.708 1.00 0.00 C ATOM 942 CG1 ILE A 62 3.567 7.249 -3.995 1.00 0.00 C ATOM 943 CG2 ILE A 62 3.140 9.034 -2.219 1.00 0.00 C ATOM 944 CD1 ILE A 62 5.034 7.105 -3.604 1.00 0.00 C ATOM 0 H ILE A 62 1.976 8.931 -6.128 1.00 0.00 H new ATOM 0 HA ILE A 62 0.928 7.776 -3.671 1.00 0.00 H new ATOM 0 HB ILE A 62 3.424 9.398 -4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.992 6.489 -3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.471 7.037 -5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.205 9.012 -1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.751 10.038 -2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.614 8.327 -1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.378 6.100 -3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.630 7.834 -4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.144 7.278 -2.533 1.00 0.00 H new ATOM 956 N SER A 63 -0.296 9.721 -2.739 1.00 0.00 N ATOM 957 CA SER A 63 -0.970 10.768 -1.969 1.00 0.00 C ATOM 958 C SER A 63 -1.387 10.190 -0.600 1.00 0.00 C ATOM 959 O SER A 63 -1.116 9.016 -0.310 1.00 0.00 O ATOM 960 CB SER A 63 -2.199 11.274 -2.761 1.00 0.00 C ATOM 961 OG SER A 63 -3.156 10.245 -2.974 1.00 0.00 O ATOM 0 H SER A 63 -0.677 8.792 -2.562 1.00 0.00 H new ATOM 0 HA SER A 63 -0.301 11.612 -1.802 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.666 12.097 -2.219 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.873 11.670 -3.723 1.00 0.00 H new ATOM 0 HG SER A 63 -2.704 9.375 -2.984 1.00 0.00 H new ATOM 967 N ALA A 64 -2.041 11.011 0.233 1.00 0.00 N ATOM 968 CA ALA A 64 -2.657 10.540 1.492 1.00 0.00 C ATOM 969 C ALA A 64 -3.813 9.559 1.187 1.00 0.00 C ATOM 970 O ALA A 64 -4.016 8.564 1.899 1.00 0.00 O ATOM 971 CB ALA A 64 -3.149 11.731 2.331 1.00 0.00 C ATOM 0 H ALA A 64 -2.160 12.009 0.061 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.904 10.009 2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.599 11.365 3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.307 12.380 2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.890 12.294 1.764 1.00 0.00 H new ATOM 977 N GLN A 65 -4.518 9.827 0.066 1.00 0.00 N ATOM 978 CA GLN A 65 -5.663 9.015 -0.400 1.00 0.00 C ATOM 979 C GLN A 65 -5.205 7.647 -0.952 1.00 0.00 C ATOM 980 O GLN A 65 -6.032 6.769 -1.200 1.00 0.00 O ATOM 981 CB GLN A 65 -6.465 9.796 -1.475 1.00 0.00 C ATOM 982 CG GLN A 65 -6.894 11.217 -1.055 1.00 0.00 C ATOM 983 CD GLN A 65 -7.755 11.257 0.214 1.00 0.00 C ATOM 984 OE1 GLN A 65 -8.979 11.180 0.152 1.00 0.00 O ATOM 985 NE2 GLN A 65 -7.119 11.408 1.369 1.00 0.00 N ATOM 0 H GLN A 65 -4.307 10.617 -0.544 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.309 8.821 0.457 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.861 9.866 -2.379 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.356 9.223 -1.731 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.002 11.823 -0.896 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.449 11.675 -1.874 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.101 11.469 1.386 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.648 11.463 2.239 1.00 0.00 H new ATOM 994 N THR A 66 -3.886 7.486 -1.148 1.00 0.00 N ATOM 995 CA THR A 66 -3.282 6.209 -1.563 1.00 0.00 C ATOM 996 C THR A 66 -3.220 5.244 -0.371 1.00 0.00 C ATOM 997 O THR A 66 -3.424 4.040 -0.529 1.00 0.00 O ATOM 998 CB THR A 66 -1.854 6.466 -2.130 1.00 0.00 C ATOM 999 OG1 THR A 66 -1.964 7.416 -3.187 1.00 0.00 O ATOM 1000 CG2 THR A 66 -1.144 5.199 -2.648 1.00 0.00 C ATOM 0 H THR A 66 -3.208 8.238 -1.023 1.00 0.00 H new ATOM 0 HA THR A 66 -3.895 5.756 -2.342 1.00 0.00 H new ATOM 0 HB THR A 66 -1.240 6.835 -1.308 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.248 7.264 -3.839 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.156 5.464 -3.025 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.041 4.481 -1.834 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.732 4.755 -3.451 1.00 0.00 H new ATOM 1008 N PHE A 67 -2.951 5.793 0.832 1.00 0.00 N ATOM 1009 CA PHE A 67 -2.867 5.002 2.074 1.00 0.00 C ATOM 1010 C PHE A 67 -4.150 5.089 2.898 1.00 0.00 C ATOM 1011 O PHE A 67 -4.157 4.665 4.057 1.00 0.00 O ATOM 1012 CB PHE A 67 -1.624 5.431 2.909 1.00 0.00 C ATOM 1013 CG PHE A 67 -0.303 4.928 2.323 1.00 0.00 C ATOM 1014 CD1 PHE A 67 0.246 5.513 1.183 1.00 0.00 C ATOM 1015 CD2 PHE A 67 0.373 3.852 2.903 1.00 0.00 C ATOM 1016 CE1 PHE A 67 1.422 5.037 0.638 1.00 0.00 C ATOM 1017 CE2 PHE A 67 1.545 3.372 2.351 1.00 0.00 C ATOM 1018 CZ PHE A 67 2.072 3.968 1.227 1.00 0.00 C ATOM 0 H PHE A 67 -2.787 6.791 0.968 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.748 3.956 1.793 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.595 6.519 2.973 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.730 5.054 3.926 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.255 6.350 0.720 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.025 3.390 3.794 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.834 5.499 -0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.048 2.529 2.801 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.995 3.600 0.804 1.00 0.00 H new ATOM 1028 N GLU A 68 -5.251 5.580 2.284 1.00 0.00 N ATOM 1029 CA GLU A 68 -6.538 5.751 2.985 1.00 0.00 C ATOM 1030 C GLU A 68 -7.064 4.387 3.504 1.00 0.00 C ATOM 1031 O GLU A 68 -7.481 4.285 4.652 1.00 0.00 O ATOM 1032 CB GLU A 68 -7.605 6.463 2.098 1.00 0.00 C ATOM 1033 CG GLU A 68 -8.132 5.638 0.911 1.00 0.00 C ATOM 1034 CD GLU A 68 -9.342 6.263 0.209 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -10.454 6.192 0.775 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -9.193 6.824 -0.899 1.00 0.00 O ATOM 0 H GLU A 68 -5.271 5.864 1.304 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.356 6.401 3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.449 6.742 2.728 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.175 7.388 1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.329 5.510 0.185 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.403 4.643 1.265 1.00 0.00 H new ATOM 1043 N THR A 69 -7.014 3.344 2.645 1.00 0.00 N ATOM 1044 CA THR A 69 -7.404 1.967 3.003 1.00 0.00 C ATOM 1045 C THR A 69 -6.401 0.962 2.414 1.00 0.00 C ATOM 1046 O THR A 69 -5.626 1.293 1.496 1.00 0.00 O ATOM 1047 CB THR A 69 -8.847 1.600 2.494 1.00 0.00 C ATOM 1048 OG1 THR A 69 -8.943 1.817 1.082 1.00 0.00 O ATOM 1049 CG2 THR A 69 -9.954 2.399 3.203 1.00 0.00 C ATOM 0 H THR A 69 -6.700 3.438 1.679 1.00 0.00 H new ATOM 0 HA THR A 69 -7.404 1.914 4.092 1.00 0.00 H new ATOM 0 HB THR A 69 -8.999 0.547 2.729 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.844 1.584 0.776 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.926 2.102 2.809 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.919 2.198 4.274 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.802 3.464 3.029 1.00 0.00 H new ATOM 1057 N LEU A 70 -6.444 -0.276 2.946 1.00 0.00 N ATOM 1058 CA LEU A 70 -5.622 -1.399 2.457 1.00 0.00 C ATOM 1059 C LEU A 70 -5.911 -1.690 0.976 1.00 0.00 C ATOM 1060 O LEU A 70 -5.001 -2.014 0.203 1.00 0.00 O ATOM 1061 CB LEU A 70 -5.882 -2.668 3.309 1.00 0.00 C ATOM 1062 CG LEU A 70 -5.036 -3.922 2.915 1.00 0.00 C ATOM 1063 CD1 LEU A 70 -3.544 -3.669 3.170 1.00 0.00 C ATOM 1064 CD2 LEU A 70 -5.529 -5.205 3.623 1.00 0.00 C ATOM 0 H LEU A 70 -7.051 -0.525 3.727 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.574 -1.116 2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.684 -2.431 4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.939 -2.925 3.235 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.173 -4.089 1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.972 -4.553 2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.212 -2.818 2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.387 -3.455 4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.911 -6.049 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.458 -5.075 4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.566 -5.397 3.348 1.00 0.00 H new ATOM 1076 N GLY A 71 -7.194 -1.548 0.618 1.00 0.00 N ATOM 1077 CA GLY A 71 -7.672 -1.777 -0.735 1.00 0.00 C ATOM 1078 C GLY A 71 -7.082 -0.800 -1.726 1.00 0.00 C ATOM 1079 O GLY A 71 -6.816 -1.167 -2.867 1.00 0.00 O ATOM 0 H GLY A 71 -7.927 -1.269 1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.423 -2.794 -1.039 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.759 -1.697 -0.752 1.00 0.00 H new ATOM 1083 N SER A 72 -6.853 0.448 -1.270 1.00 0.00 N ATOM 1084 CA SER A 72 -6.244 1.498 -2.095 1.00 0.00 C ATOM 1085 C SER A 72 -4.842 1.062 -2.544 1.00 0.00 C ATOM 1086 O SER A 72 -4.591 0.963 -3.755 1.00 0.00 O ATOM 1087 CB SER A 72 -6.189 2.823 -1.312 1.00 0.00 C ATOM 1088 OG SER A 72 -7.465 3.167 -0.825 1.00 0.00 O ATOM 0 H SER A 72 -7.085 0.750 -0.324 1.00 0.00 H new ATOM 0 HA SER A 72 -6.854 1.657 -2.984 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.490 2.731 -0.481 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.814 3.617 -1.958 1.00 0.00 H new ATOM 0 HG SER A 72 -7.707 2.567 -0.089 1.00 0.00 H new ATOM 1094 N LEU A 73 -3.976 0.700 -1.552 1.00 0.00 N ATOM 1095 CA LEU A 73 -2.597 0.234 -1.843 1.00 0.00 C ATOM 1096 C LEU A 73 -2.633 -0.997 -2.734 1.00 0.00 C ATOM 1097 O LEU A 73 -1.873 -1.084 -3.689 1.00 0.00 O ATOM 1098 CB LEU A 73 -1.781 -0.134 -0.566 1.00 0.00 C ATOM 1099 CG LEU A 73 -1.312 1.015 0.360 1.00 0.00 C ATOM 1100 CD1 LEU A 73 -0.624 2.127 -0.449 1.00 0.00 C ATOM 1101 CD2 LEU A 73 -2.469 1.538 1.213 1.00 0.00 C ATOM 0 H LEU A 73 -4.209 0.723 -0.559 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.105 1.073 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.387 -0.816 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.897 -0.687 -0.884 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.566 0.621 1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.304 2.922 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.244 1.717 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.324 2.531 -1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.113 2.344 1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.259 1.913 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.860 0.729 1.830 1.00 0.00 H new ATOM 1113 N ALA A 74 -3.540 -1.931 -2.390 1.00 0.00 N ATOM 1114 CA ALA A 74 -3.703 -3.201 -3.093 1.00 0.00 C ATOM 1115 C ALA A 74 -3.932 -2.973 -4.592 1.00 0.00 C ATOM 1116 O ALA A 74 -3.230 -3.563 -5.392 1.00 0.00 O ATOM 1117 CB ALA A 74 -4.837 -4.013 -2.466 1.00 0.00 C ATOM 0 H ALA A 74 -4.183 -1.816 -1.607 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.783 -3.776 -2.991 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.947 -4.957 -3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.606 -4.213 -1.420 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.767 -3.449 -2.531 1.00 0.00 H new ATOM 1123 N LEU A 75 -4.839 -2.034 -4.934 1.00 0.00 N ATOM 1124 CA LEU A 75 -5.193 -1.700 -6.335 1.00 0.00 C ATOM 1125 C LEU A 75 -3.994 -1.068 -7.084 1.00 0.00 C ATOM 1126 O LEU A 75 -3.670 -1.488 -8.215 1.00 0.00 O ATOM 1127 CB LEU A 75 -6.449 -0.758 -6.406 1.00 0.00 C ATOM 1128 CG LEU A 75 -7.839 -1.446 -6.596 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -7.866 -2.276 -7.893 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -8.235 -2.285 -5.368 1.00 0.00 C ATOM 0 H LEU A 75 -5.350 -1.482 -4.245 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.449 -2.636 -6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.484 -0.170 -5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.302 -0.058 -7.228 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.589 -0.661 -6.690 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.843 -2.746 -8.004 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.677 -1.624 -8.746 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.096 -3.046 -7.848 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.207 -2.746 -5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.489 -3.062 -5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.290 -1.641 -4.490 1.00 0.00 H new ATOM 1142 N PHE A 76 -3.332 -0.074 -6.446 1.00 0.00 N ATOM 1143 CA PHE A 76 -2.150 0.593 -7.036 1.00 0.00 C ATOM 1144 C PHE A 76 -1.065 -0.452 -7.374 1.00 0.00 C ATOM 1145 O PHE A 76 -0.645 -0.565 -8.527 1.00 0.00 O ATOM 1146 CB PHE A 76 -1.587 1.705 -6.096 1.00 0.00 C ATOM 1147 CG PHE A 76 -2.418 2.995 -6.082 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -2.374 3.875 -7.164 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -3.237 3.328 -5.007 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -3.122 5.039 -7.168 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -3.987 4.493 -5.010 1.00 0.00 C ATOM 1152 CZ PHE A 76 -3.929 5.348 -6.092 1.00 0.00 C ATOM 0 H PHE A 76 -3.596 0.281 -5.527 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.462 1.083 -7.958 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.529 1.312 -5.081 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.569 1.945 -6.404 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.746 3.644 -8.012 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.289 2.666 -4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.074 5.707 -8.015 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.617 4.732 -4.166 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.513 6.256 -6.097 1.00 0.00 H new ATOM 1162 N VAL A 77 -0.699 -1.276 -6.371 1.00 0.00 N ATOM 1163 CA VAL A 77 0.360 -2.300 -6.497 1.00 0.00 C ATOM 1164 C VAL A 77 -0.071 -3.479 -7.403 1.00 0.00 C ATOM 1165 O VAL A 77 0.791 -4.179 -7.931 1.00 0.00 O ATOM 1166 CB VAL A 77 0.905 -2.805 -5.106 1.00 0.00 C ATOM 1167 CG1 VAL A 77 1.391 -1.618 -4.235 1.00 0.00 C ATOM 1168 CG2 VAL A 77 -0.121 -3.659 -4.352 1.00 0.00 C ATOM 0 H VAL A 77 -1.131 -1.250 -5.447 1.00 0.00 H new ATOM 0 HA VAL A 77 1.195 -1.800 -6.988 1.00 0.00 H new ATOM 0 HB VAL A 77 1.759 -3.449 -5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.762 -1.994 -3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.192 -1.091 -4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.562 -0.934 -4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.303 -3.982 -3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.019 -3.070 -4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.377 -4.533 -4.951 1.00 0.00 H new ATOM 1178 N GLU A 78 -1.401 -3.729 -7.561 1.00 0.00 N ATOM 1179 CA GLU A 78 -1.909 -4.658 -8.612 1.00 0.00 C ATOM 1180 C GLU A 78 -1.352 -4.200 -9.964 1.00 0.00 C ATOM 1181 O GLU A 78 -0.672 -4.954 -10.660 1.00 0.00 O ATOM 1182 CB GLU A 78 -3.473 -4.685 -8.717 1.00 0.00 C ATOM 1183 CG GLU A 78 -4.240 -5.379 -7.574 1.00 0.00 C ATOM 1184 CD GLU A 78 -3.966 -6.884 -7.420 1.00 0.00 C ATOM 1185 OE1 GLU A 78 -3.981 -7.613 -8.435 1.00 0.00 O ATOM 1186 OE2 GLU A 78 -3.793 -7.354 -6.271 1.00 0.00 O ATOM 0 H GLU A 78 -2.130 -3.308 -6.985 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.583 -5.662 -8.340 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.826 -3.656 -8.785 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.741 -5.177 -9.652 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.990 -4.883 -6.636 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.308 -5.235 -7.735 1.00 0.00 H new ATOM 1193 N HIS A 79 -1.583 -2.903 -10.240 1.00 0.00 N ATOM 1194 CA HIS A 79 -1.270 -2.270 -11.533 1.00 0.00 C ATOM 1195 C HIS A 79 0.252 -2.118 -11.753 1.00 0.00 C ATOM 1196 O HIS A 79 0.724 -2.136 -12.896 1.00 0.00 O ATOM 1197 CB HIS A 79 -1.971 -0.894 -11.616 1.00 0.00 C ATOM 1198 CG HIS A 79 -3.470 -0.923 -11.385 1.00 0.00 C ATOM 1199 ND1 HIS A 79 -4.199 0.213 -11.132 1.00 0.00 N ATOM 1200 CD2 HIS A 79 -4.364 -1.949 -11.336 1.00 0.00 C ATOM 1201 CE1 HIS A 79 -5.460 -0.105 -10.945 1.00 0.00 C ATOM 1202 NE2 HIS A 79 -5.590 -1.408 -11.061 1.00 0.00 N ATOM 0 H HIS A 79 -1.996 -2.260 -9.565 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.641 -2.920 -12.326 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.518 -0.228 -10.882 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.778 -0.464 -12.599 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.146 -2.996 -11.486 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.259 0.590 -10.731 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.461 -1.929 -10.962 1.00 0.00 H new ATOM 1211 N LYS A 80 1.006 -1.967 -10.648 1.00 0.00 N ATOM 1212 CA LYS A 80 2.476 -1.848 -10.676 1.00 0.00 C ATOM 1213 C LYS A 80 3.126 -3.194 -11.018 1.00 0.00 C ATOM 1214 O LYS A 80 3.845 -3.321 -12.013 1.00 0.00 O ATOM 1215 CB LYS A 80 2.999 -1.354 -9.301 1.00 0.00 C ATOM 1216 CG LYS A 80 2.420 -0.006 -8.830 1.00 0.00 C ATOM 1217 CD LYS A 80 2.770 1.157 -9.763 1.00 0.00 C ATOM 1218 CE LYS A 80 4.256 1.529 -9.717 1.00 0.00 C ATOM 1219 NZ LYS A 80 4.543 2.769 -10.484 1.00 0.00 N ATOM 0 H LYS A 80 0.612 -1.924 -9.708 1.00 0.00 H new ATOM 0 HA LYS A 80 2.742 -1.125 -11.447 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.774 -2.111 -8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.084 -1.268 -9.352 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.336 -0.090 -8.754 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.793 0.213 -7.830 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.498 0.892 -10.785 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.174 2.028 -9.490 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.564 1.664 -8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.848 0.708 -10.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.471 3.145 -10.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.551 2.554 -11.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.808 3.478 -10.286 1.00 0.00 H new ATOM 1233 N LEU A 81 2.822 -4.198 -10.181 1.00 0.00 N ATOM 1234 CA LEU A 81 3.394 -5.556 -10.280 1.00 0.00 C ATOM 1235 C LEU A 81 2.893 -6.295 -11.551 1.00 0.00 C ATOM 1236 O LEU A 81 3.423 -7.356 -11.894 1.00 0.00 O ATOM 1237 CB LEU A 81 3.147 -6.376 -8.970 1.00 0.00 C ATOM 1238 CG LEU A 81 4.026 -6.016 -7.703 1.00 0.00 C ATOM 1239 CD1 LEU A 81 5.533 -6.219 -7.966 1.00 0.00 C ATOM 1240 CD2 LEU A 81 3.760 -4.596 -7.166 1.00 0.00 C ATOM 0 H LEU A 81 2.166 -4.092 -9.407 1.00 0.00 H new ATOM 0 HA LEU A 81 4.474 -5.456 -10.387 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.098 -6.262 -8.695 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.304 -7.430 -9.199 1.00 0.00 H new ATOM 0 HG LEU A 81 3.716 -6.717 -6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.097 -5.960 -7.070 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.720 -7.261 -8.224 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.848 -5.579 -8.790 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.393 -4.411 -6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.986 -3.865 -7.942 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.713 -4.507 -6.877 1.00 0.00 H new ATOM 1252 N SER A 82 1.863 -5.726 -12.237 1.00 0.00 N ATOM 1253 CA SER A 82 1.459 -6.157 -13.598 1.00 0.00 C ATOM 1254 C SER A 82 2.651 -6.097 -14.577 1.00 0.00 C ATOM 1255 O SER A 82 2.821 -6.981 -15.421 1.00 0.00 O ATOM 1256 CB SER A 82 0.320 -5.260 -14.132 1.00 0.00 C ATOM 1257 OG SER A 82 -0.821 -5.323 -13.309 1.00 0.00 O ATOM 0 H SER A 82 1.297 -4.964 -11.864 1.00 0.00 H new ATOM 0 HA SER A 82 1.111 -7.188 -13.527 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.667 -4.229 -14.194 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.057 -5.569 -15.144 1.00 0.00 H new ATOM 0 HG SER A 82 -0.601 -4.979 -12.418 1.00 0.00 H new ATOM 1263 N HIS A 83 3.455 -5.029 -14.445 1.00 0.00 N ATOM 1264 CA HIS A 83 4.664 -4.816 -15.257 1.00 0.00 C ATOM 1265 C HIS A 83 5.797 -5.722 -14.727 1.00 0.00 C ATOM 1266 O HIS A 83 6.194 -6.684 -15.424 1.00 0.00 O ATOM 1267 CB HIS A 83 5.093 -3.321 -15.222 1.00 0.00 C ATOM 1268 CG HIS A 83 4.076 -2.355 -15.785 1.00 0.00 C ATOM 1269 ND1 HIS A 83 4.298 -1.604 -16.922 1.00 0.00 N ATOM 1270 CD2 HIS A 83 2.850 -1.979 -15.333 1.00 0.00 C ATOM 1271 CE1 HIS A 83 3.264 -0.820 -17.142 1.00 0.00 C ATOM 1272 NE2 HIS A 83 2.371 -1.027 -16.196 1.00 0.00 N ATOM 1273 OXT HIS A 83 6.237 -5.506 -13.578 1.00 0.00 O ATOM 0 H HIS A 83 3.283 -4.285 -13.768 1.00 0.00 H new ATOM 0 HA HIS A 83 4.452 -5.076 -16.294 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.305 -3.043 -14.190 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.024 -3.212 -15.779 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.347 -2.360 -14.457 1.00 0.00 H new ATOM 0 HE1 HIS A 83 3.164 -0.123 -17.961 1.00 0.00 H new ATOM 0 HE2 HIS A 83 1.470 -0.556 -16.118 1.00 0.00 H new TER 1282 HIS A 83 HETATM 1283 P24 PNS A 84 6.826 14.544 9.449 1.00 0.00 P HETATM 1284 O25 PNS A 84 7.929 13.981 10.256 1.00 0.00 O HETATM 1285 O26 PNS A 84 5.980 15.569 10.098 1.00 0.00 O HETATM 1286 O27 PNS A 84 7.408 15.134 8.047 1.00 0.00 O HETATM 1287 C28 PNS A 84 8.295 14.390 7.184 1.00 0.00 C HETATM 1288 C29 PNS A 84 7.618 13.895 5.848 1.00 0.00 C HETATM 1289 C30 PNS A 84 6.393 12.978 6.157 1.00 0.00 C HETATM 1290 C31 PNS A 84 8.671 13.048 5.069 1.00 0.00 C HETATM 1291 C32 PNS A 84 7.151 15.145 4.976 1.00 0.00 C HETATM 1292 O33 PNS A 84 8.278 15.772 4.351 1.00 0.00 O HETATM 1293 C34 PNS A 84 6.130 14.725 3.893 1.00 0.00 C HETATM 1294 O35 PNS A 84 4.978 15.191 3.915 1.00 0.00 O HETATM 1295 N36 PNS A 84 6.582 13.899 2.923 1.00 0.00 N HETATM 1296 C37 PNS A 84 5.732 13.375 1.839 1.00 0.00 C HETATM 1297 C38 PNS A 84 4.668 12.418 2.426 1.00 0.00 C HETATM 1298 C39 PNS A 84 4.032 11.438 1.449 1.00 0.00 C HETATM 1299 O40 PNS A 84 4.354 11.400 0.255 1.00 0.00 O HETATM 1300 N41 PNS A 84 3.135 10.607 2.004 1.00 0.00 N HETATM 1301 C42 PNS A 84 2.406 9.578 1.248 1.00 0.00 C HETATM 1302 C43 PNS A 84 1.533 8.735 2.158 1.00 0.00 C HETATM 1303 S44 PNS A 84 0.355 9.732 3.085 1.00 0.00 S HETATM 0 H432 PNS A 84 0.994 7.999 1.562 1.00 0.00 H new HETATM 0 H431 PNS A 84 2.164 8.181 2.853 1.00 0.00 H new HETATM 0 H422 PNS A 84 3.116 8.936 0.726 1.00 0.00 H new HETATM 0 H421 PNS A 84 1.788 10.054 0.487 1.00 0.00 H new HETATM 0 H382 PNS A 84 3.876 13.019 2.873 1.00 0.00 H new HETATM 0 H381 PNS A 84 5.128 11.847 3.233 1.00 0.00 H new HETATM 0 H372 PNS A 84 6.344 12.849 1.106 1.00 0.00 H new HETATM 0 H371 PNS A 84 5.245 14.198 1.315 1.00 0.00 H new HETATM 0 H313 PNS A 84 8.233 12.690 4.137 1.00 0.00 H new HETATM 0 H312 PNS A 84 8.975 12.197 5.678 1.00 0.00 H new HETATM 0 H311 PNS A 84 9.542 13.665 4.847 1.00 0.00 H new HETATM 0 H303 PNS A 84 5.941 12.648 5.222 1.00 0.00 H new HETATM 0 H302 PNS A 84 5.659 13.536 6.738 1.00 0.00 H new HETATM 0 H301 PNS A 84 6.723 12.110 6.727 1.00 0.00 H new HETATM 0 H282 PNS A 84 8.676 13.526 7.729 1.00 0.00 H new HETATM 0 H281 PNS A 84 9.153 15.015 6.936 1.00 0.00 H new HETATM 0 H44 PNS A 84 0.262 9.277 4.299 1.00 0.00 H new HETATM 0 H41 PNS A 84 2.950 10.694 3.003 1.00 0.00 H new HETATM 0 H36 PNS A 84 7.564 13.624 2.942 1.00 0.00 H new HETATM 0 H33 PNS A 84 7.973 16.536 3.818 1.00 0.00 H new HETATM 0 H32 PNS A 84 6.671 15.853 5.651 1.00 0.00 H new