USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 542 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 HIS : no HD1:sc= -0.583 K(o=-0.67,f=-2.4) USER MOD Set 1.2: A 72 HIS : no HD1:sc= -0.0818 X(o=-0.67,f=-0.34) USER MOD Set 2.1: A 68 HIS : no HD1:sc= -0.0613 X(o=-0.13,f=0) USER MOD Set 2.2: A 69 HIS : no HD1:sc= -0.064 X(o=-0.13,f=-0.0004) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -113:sc= 1.82 (180deg=1.37) USER MOD Single : A 4 THR OG1 : rot 93:sc= -0.818 USER MOD Single : A 6 ASN : amide:sc= 0.514 K(o=0.51,f=-5.2!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.53) USER MOD Single : A 14 SER OG : rot 46:sc= -0.0901 USER MOD Single : A 16 SER OG : rot 180:sc= 0.00362 USER MOD Single : A 21 MET CE :methyl -113:sc= -0.666 (180deg=-2.19!) USER MOD Single : A 22 THR OG1 : rot 74:sc= 0.996 USER MOD Single : A 26 CYS SG : rot 56:sc= -0.456 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HE2:sc= 0.269 K(o=0.27,f=-0.98) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.25! K(o=-2.3!,f=-1.2) USER MOD Single : A 37 TYR OH : rot 67:sc= 0.169 USER MOD Single : A 44 LYS NZ :NH3+ 177:sc= 1.1 (180deg=1.07) USER MOD Single : A 48 THR OG1 : rot 71:sc= 0.858 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 73 HIS : no HD1:sc= 0.0696 K(o=0.07,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.006 11.092 -0.881 1.00 0.00 N ATOM 2 CA MET A 1 7.470 10.539 -2.164 1.00 0.00 C ATOM 3 C MET A 1 6.277 10.102 -3.038 1.00 0.00 C ATOM 4 O MET A 1 5.259 9.634 -2.528 1.00 0.00 O ATOM 5 CB MET A 1 8.454 9.362 -1.923 1.00 0.00 C ATOM 6 CG MET A 1 7.875 8.143 -1.181 1.00 0.00 C ATOM 7 SD MET A 1 7.404 8.506 0.523 1.00 0.00 S ATOM 8 CE MET A 1 6.926 6.879 1.092 1.00 0.00 C ATOM 0 H1 MET A 1 7.227 12.107 -0.840 1.00 0.00 H new ATOM 0 H2 MET A 1 5.978 10.958 -0.796 1.00 0.00 H new ATOM 0 H3 MET A 1 7.485 10.602 -0.098 1.00 0.00 H new ATOM 0 HA MET A 1 8.004 11.321 -2.704 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.835 9.028 -2.888 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.307 9.737 -1.357 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.003 7.777 -1.722 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.612 7.340 -1.184 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.608 6.936 2.133 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.103 6.507 0.481 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.775 6.200 1.009 1.00 0.00 H new ATOM 20 N LEU A 2 6.429 10.255 -4.367 1.00 0.00 N ATOM 21 CA LEU A 2 5.396 9.895 -5.352 1.00 0.00 C ATOM 22 C LEU A 2 5.415 8.376 -5.577 1.00 0.00 C ATOM 23 O LEU A 2 6.398 7.839 -6.083 1.00 0.00 O ATOM 24 CB LEU A 2 5.648 10.624 -6.698 1.00 0.00 C ATOM 25 CG LEU A 2 4.637 10.307 -7.857 1.00 0.00 C ATOM 26 CD1 LEU A 2 3.239 10.882 -7.565 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.178 10.799 -9.209 1.00 0.00 C ATOM 0 H LEU A 2 7.277 10.634 -4.788 1.00 0.00 H new ATOM 0 HA LEU A 2 4.422 10.200 -4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.633 11.698 -6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.652 10.374 -7.041 1.00 0.00 H new ATOM 0 HG LEU A 2 4.531 9.224 -7.915 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.568 10.642 -8.389 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.852 10.447 -6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.306 11.964 -7.455 1.00 0.00 H new ATOM 0 HD21 LEU A 2 4.459 10.567 -9.995 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.335 11.877 -9.167 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.124 10.302 -9.425 1.00 0.00 H new ATOM 39 N VAL A 3 4.338 7.701 -5.166 1.00 0.00 N ATOM 40 CA VAL A 3 4.146 6.238 -5.354 1.00 0.00 C ATOM 41 C VAL A 3 3.014 6.001 -6.375 1.00 0.00 C ATOM 42 O VAL A 3 2.457 6.969 -6.890 1.00 0.00 O ATOM 43 CB VAL A 3 3.826 5.551 -3.972 1.00 0.00 C ATOM 44 CG1 VAL A 3 4.927 5.875 -2.933 1.00 0.00 C ATOM 45 CG2 VAL A 3 2.425 5.934 -3.440 1.00 0.00 C ATOM 0 H VAL A 3 3.558 8.150 -4.686 1.00 0.00 H new ATOM 0 HA VAL A 3 5.062 5.791 -5.741 1.00 0.00 H new ATOM 0 HB VAL A 3 3.816 4.474 -4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.687 5.391 -1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.888 5.508 -3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.982 6.954 -2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.250 5.437 -2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.371 7.014 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.666 5.622 -4.157 1.00 0.00 H new ATOM 55 N THR A 4 2.682 4.727 -6.697 1.00 0.00 N ATOM 56 CA THR A 4 1.575 4.409 -7.632 1.00 0.00 C ATOM 57 C THR A 4 0.517 3.542 -6.924 1.00 0.00 C ATOM 58 O THR A 4 0.700 2.337 -6.758 1.00 0.00 O ATOM 59 CB THR A 4 2.113 3.704 -8.922 1.00 0.00 C ATOM 60 OG1 THR A 4 3.190 4.486 -9.470 1.00 0.00 O ATOM 61 CG2 THR A 4 1.018 3.515 -9.991 1.00 0.00 C ATOM 0 H THR A 4 3.162 3.907 -6.325 1.00 0.00 H new ATOM 0 HA THR A 4 1.104 5.342 -7.942 1.00 0.00 H new ATOM 0 HB THR A 4 2.461 2.711 -8.637 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.044 4.159 -9.117 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.444 3.022 -10.865 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.214 2.902 -9.584 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.621 4.488 -10.281 1.00 0.00 H new ATOM 69 N ILE A 5 -0.593 4.175 -6.512 1.00 0.00 N ATOM 70 CA ILE A 5 -1.674 3.518 -5.753 1.00 0.00 C ATOM 71 C ILE A 5 -2.792 3.060 -6.719 1.00 0.00 C ATOM 72 O ILE A 5 -3.396 3.889 -7.402 1.00 0.00 O ATOM 73 CB ILE A 5 -2.259 4.478 -4.647 1.00 0.00 C ATOM 74 CG1 ILE A 5 -1.119 4.953 -3.694 1.00 0.00 C ATOM 75 CG2 ILE A 5 -3.401 3.789 -3.848 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.537 6.002 -2.680 1.00 0.00 C ATOM 0 H ILE A 5 -0.769 5.163 -6.696 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.258 2.645 -5.249 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.687 5.350 -5.141 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.726 4.088 -3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.304 5.354 -4.296 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.783 4.476 -3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.206 3.513 -4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.015 2.894 -3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.681 6.272 -2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.901 6.887 -3.201 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.330 5.602 -2.048 1.00 0.00 H new ATOM 88 N ASN A 6 -3.021 1.723 -6.787 1.00 0.00 N ATOM 89 CA ASN A 6 -4.101 1.081 -7.595 1.00 0.00 C ATOM 90 C ASN A 6 -3.948 1.351 -9.114 1.00 0.00 C ATOM 91 O ASN A 6 -4.909 1.211 -9.876 1.00 0.00 O ATOM 92 CB ASN A 6 -5.518 1.522 -7.091 1.00 0.00 C ATOM 93 CG ASN A 6 -5.830 1.129 -5.640 1.00 0.00 C ATOM 94 OD1 ASN A 6 -4.944 1.038 -4.797 1.00 0.00 O ATOM 95 ND2 ASN A 6 -7.100 0.899 -5.343 1.00 0.00 N ATOM 0 H ASN A 6 -2.454 1.047 -6.276 1.00 0.00 H new ATOM 0 HA ASN A 6 -4.001 0.005 -7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.603 2.604 -7.187 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.274 1.084 -7.743 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.362 0.639 -4.392 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.816 0.982 -6.065 1.00 0.00 H new ATOM 102 N GLY A 7 -2.721 1.682 -9.546 1.00 0.00 N ATOM 103 CA GLY A 7 -2.434 1.979 -10.956 1.00 0.00 C ATOM 104 C GLY A 7 -2.508 3.466 -11.298 1.00 0.00 C ATOM 105 O GLY A 7 -2.342 3.842 -12.462 1.00 0.00 O ATOM 0 H GLY A 7 -1.908 1.751 -8.934 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.439 1.608 -11.201 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.140 1.435 -11.584 1.00 0.00 H new ATOM 109 N GLU A 8 -2.788 4.310 -10.291 1.00 0.00 N ATOM 110 CA GLU A 8 -2.743 5.780 -10.418 1.00 0.00 C ATOM 111 C GLU A 8 -1.733 6.358 -9.416 1.00 0.00 C ATOM 112 O GLU A 8 -1.820 6.078 -8.215 1.00 0.00 O ATOM 113 CB GLU A 8 -4.144 6.394 -10.166 1.00 0.00 C ATOM 114 CG GLU A 8 -5.221 6.016 -11.198 1.00 0.00 C ATOM 115 CD GLU A 8 -6.544 6.760 -10.952 1.00 0.00 C ATOM 116 OE1 GLU A 8 -6.666 7.927 -11.381 1.00 0.00 O ATOM 117 OE2 GLU A 8 -7.440 6.206 -10.289 1.00 0.00 O ATOM 0 H GLU A 8 -3.054 3.991 -9.359 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.432 6.031 -11.432 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.486 6.085 -9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.049 7.480 -10.145 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.858 6.244 -12.200 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.398 4.941 -11.160 1.00 0.00 H new ATOM 124 N GLN A 9 -0.779 7.172 -9.906 1.00 0.00 N ATOM 125 CA GLN A 9 0.271 7.756 -9.063 1.00 0.00 C ATOM 126 C GLN A 9 -0.304 8.817 -8.105 1.00 0.00 C ATOM 127 O GLN A 9 -1.128 9.650 -8.499 1.00 0.00 O ATOM 128 CB GLN A 9 1.409 8.358 -9.917 1.00 0.00 C ATOM 129 CG GLN A 9 2.125 7.338 -10.823 1.00 0.00 C ATOM 130 CD GLN A 9 3.402 7.893 -11.443 1.00 0.00 C ATOM 131 OE1 GLN A 9 3.389 8.467 -12.527 1.00 0.00 O ATOM 132 NE2 GLN A 9 4.514 7.729 -10.751 1.00 0.00 N ATOM 0 H GLN A 9 -0.718 7.439 -10.889 1.00 0.00 H new ATOM 0 HA GLN A 9 0.689 6.948 -8.463 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.000 9.155 -10.538 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.143 8.816 -9.254 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.366 6.448 -10.241 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.447 7.025 -11.617 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.489 7.247 -9.853 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.398 8.085 -11.115 1.00 0.00 H new ATOM 141 N ARG A 10 0.140 8.753 -6.842 1.00 0.00 N ATOM 142 CA ARG A 10 -0.240 9.694 -5.780 1.00 0.00 C ATOM 143 C ARG A 10 0.958 9.866 -4.827 1.00 0.00 C ATOM 144 O ARG A 10 1.618 8.886 -4.471 1.00 0.00 O ATOM 145 CB ARG A 10 -1.489 9.169 -5.009 1.00 0.00 C ATOM 146 CG ARG A 10 -2.001 10.102 -3.881 1.00 0.00 C ATOM 147 CD ARG A 10 -3.254 9.533 -3.184 1.00 0.00 C ATOM 148 NE ARG A 10 -3.806 10.417 -2.145 1.00 0.00 N ATOM 149 CZ ARG A 10 -4.995 10.231 -1.531 1.00 0.00 C ATOM 150 NH1 ARG A 10 -5.792 9.207 -1.854 1.00 0.00 N ATOM 151 NH2 ARG A 10 -5.390 11.083 -0.607 1.00 0.00 N ATOM 0 H ARG A 10 0.786 8.031 -6.524 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.502 10.659 -6.215 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.297 9.009 -5.723 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.249 8.198 -4.576 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.211 10.247 -3.144 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.232 11.082 -4.298 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.022 9.345 -3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.004 8.572 -2.735 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.252 11.227 -1.869 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.506 8.547 -2.577 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.686 9.086 -1.377 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.799 11.877 -0.359 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.286 10.949 -0.139 1.00 0.00 H new ATOM 165 N GLU A 11 1.238 11.112 -4.433 1.00 0.00 N ATOM 166 CA GLU A 11 2.338 11.444 -3.524 1.00 0.00 C ATOM 167 C GLU A 11 1.896 11.196 -2.075 1.00 0.00 C ATOM 168 O GLU A 11 0.884 11.739 -1.634 1.00 0.00 O ATOM 169 CB GLU A 11 2.763 12.916 -3.709 1.00 0.00 C ATOM 170 CG GLU A 11 3.919 13.354 -2.790 1.00 0.00 C ATOM 171 CD GLU A 11 4.338 14.814 -3.004 1.00 0.00 C ATOM 172 OE1 GLU A 11 3.686 15.714 -2.453 1.00 0.00 O ATOM 173 OE2 GLU A 11 5.316 15.063 -3.733 1.00 0.00 O ATOM 0 H GLU A 11 0.703 11.925 -4.739 1.00 0.00 H new ATOM 0 HA GLU A 11 3.194 10.809 -3.752 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.059 13.070 -4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.902 13.558 -3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.621 13.216 -1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.778 12.706 -2.964 1.00 0.00 H new ATOM 180 N VAL A 12 2.643 10.350 -1.361 1.00 0.00 N ATOM 181 CA VAL A 12 2.388 10.019 0.058 1.00 0.00 C ATOM 182 C VAL A 12 3.693 10.178 0.861 1.00 0.00 C ATOM 183 O VAL A 12 4.773 10.162 0.281 1.00 0.00 O ATOM 184 CB VAL A 12 1.812 8.557 0.210 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.534 8.375 -0.646 1.00 0.00 C ATOM 186 CG2 VAL A 12 2.869 7.474 -0.121 1.00 0.00 C ATOM 0 H VAL A 12 3.453 9.866 -1.749 1.00 0.00 H new ATOM 0 HA VAL A 12 1.638 10.706 0.450 1.00 0.00 H new ATOM 0 HB VAL A 12 1.542 8.424 1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.156 7.360 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.226 9.086 -0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.771 8.551 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.426 6.485 -0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.208 7.599 -1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.718 7.575 0.555 1.00 0.00 H new ATOM 196 N GLN A 13 3.595 10.326 2.193 1.00 0.00 N ATOM 197 CA GLN A 13 4.787 10.419 3.083 1.00 0.00 C ATOM 198 C GLN A 13 4.784 9.291 4.128 1.00 0.00 C ATOM 199 O GLN A 13 5.709 9.189 4.937 1.00 0.00 O ATOM 200 CB GLN A 13 4.908 11.841 3.744 1.00 0.00 C ATOM 201 CG GLN A 13 3.631 12.454 4.366 1.00 0.00 C ATOM 202 CD GLN A 13 2.995 11.611 5.476 1.00 0.00 C ATOM 203 OE1 GLN A 13 2.107 10.805 5.216 1.00 0.00 O ATOM 204 NE2 GLN A 13 3.452 11.780 6.708 1.00 0.00 N ATOM 0 H GLN A 13 2.705 10.385 2.687 1.00 0.00 H new ATOM 0 HA GLN A 13 5.676 10.286 2.466 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.668 11.785 4.524 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.278 12.533 2.987 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.875 13.437 4.769 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.895 12.606 3.576 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.191 12.459 6.889 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.065 11.231 7.475 1.00 0.00 H new ATOM 213 N SER A 14 3.723 8.465 4.103 1.00 0.00 N ATOM 214 CA SER A 14 3.570 7.308 5.000 1.00 0.00 C ATOM 215 C SER A 14 4.647 6.245 4.690 1.00 0.00 C ATOM 216 O SER A 14 4.608 5.599 3.637 1.00 0.00 O ATOM 217 CB SER A 14 2.149 6.735 4.848 1.00 0.00 C ATOM 218 OG SER A 14 1.825 6.533 3.483 1.00 0.00 O ATOM 0 H SER A 14 2.944 8.583 3.456 1.00 0.00 H new ATOM 0 HA SER A 14 3.709 7.620 6.035 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.075 5.790 5.387 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.428 7.417 5.299 1.00 0.00 H new ATOM 0 HG SER A 14 2.577 6.098 3.029 1.00 0.00 H new ATOM 224 N ALA A 15 5.622 6.123 5.603 1.00 0.00 N ATOM 225 CA ALA A 15 6.783 5.230 5.444 1.00 0.00 C ATOM 226 C ALA A 15 6.430 3.743 5.659 1.00 0.00 C ATOM 227 O ALA A 15 7.178 2.865 5.221 1.00 0.00 O ATOM 228 CB ALA A 15 7.922 5.671 6.377 1.00 0.00 C ATOM 0 H ALA A 15 5.628 6.645 6.480 1.00 0.00 H new ATOM 0 HA ALA A 15 7.117 5.315 4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.775 5.004 6.251 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.219 6.690 6.131 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.581 5.632 7.411 1.00 0.00 H new ATOM 234 N SER A 16 5.300 3.464 6.325 1.00 0.00 N ATOM 235 CA SER A 16 4.785 2.091 6.510 1.00 0.00 C ATOM 236 C SER A 16 3.489 1.935 5.709 1.00 0.00 C ATOM 237 O SER A 16 2.753 2.917 5.504 1.00 0.00 O ATOM 238 CB SER A 16 4.530 1.794 8.005 1.00 0.00 C ATOM 239 OG SER A 16 3.569 2.677 8.564 1.00 0.00 O ATOM 0 H SER A 16 4.714 4.181 6.752 1.00 0.00 H new ATOM 0 HA SER A 16 5.528 1.379 6.152 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.187 0.766 8.117 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.466 1.880 8.557 1.00 0.00 H new ATOM 0 HG SER A 16 3.433 2.457 9.509 1.00 0.00 H new ATOM 245 N VAL A 17 3.227 0.703 5.249 1.00 0.00 N ATOM 246 CA VAL A 17 2.018 0.369 4.485 1.00 0.00 C ATOM 247 C VAL A 17 0.768 0.481 5.382 1.00 0.00 C ATOM 248 O VAL A 17 -0.278 0.889 4.904 1.00 0.00 O ATOM 249 CB VAL A 17 2.138 -1.056 3.813 1.00 0.00 C ATOM 250 CG1 VAL A 17 0.820 -1.506 3.145 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.297 -1.072 2.785 1.00 0.00 C ATOM 0 H VAL A 17 3.850 -0.091 5.397 1.00 0.00 H new ATOM 0 HA VAL A 17 1.912 1.090 3.675 1.00 0.00 H new ATOM 0 HB VAL A 17 2.353 -1.769 4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.956 -2.491 2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.030 -1.554 3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.542 -0.792 2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.367 -2.060 2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.107 -0.329 2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.234 -0.838 3.290 1.00 0.00 H new ATOM 261 N ALA A 18 0.910 0.161 6.691 1.00 0.00 N ATOM 262 CA ALA A 18 -0.190 0.287 7.676 1.00 0.00 C ATOM 263 C ALA A 18 -0.668 1.738 7.776 1.00 0.00 C ATOM 264 O ALA A 18 -1.876 1.999 7.737 1.00 0.00 O ATOM 265 CB ALA A 18 0.247 -0.232 9.056 1.00 0.00 C ATOM 0 H ALA A 18 1.781 -0.188 7.090 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.022 -0.325 7.329 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.578 -0.129 9.761 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.528 -1.282 8.977 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.101 0.347 9.409 1.00 0.00 H new ATOM 271 N ALA A 19 0.308 2.670 7.872 1.00 0.00 N ATOM 272 CA ALA A 19 0.039 4.114 7.913 1.00 0.00 C ATOM 273 C ALA A 19 -0.708 4.558 6.649 1.00 0.00 C ATOM 274 O ALA A 19 -1.691 5.288 6.739 1.00 0.00 O ATOM 275 CB ALA A 19 1.348 4.900 8.084 1.00 0.00 C ATOM 0 H ALA A 19 1.300 2.436 7.923 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.597 4.325 8.773 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.130 5.968 8.112 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.832 4.603 9.015 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.012 4.687 7.246 1.00 0.00 H new ATOM 281 N LEU A 20 -0.243 4.060 5.483 1.00 0.00 N ATOM 282 CA LEU A 20 -0.836 4.382 4.176 1.00 0.00 C ATOM 283 C LEU A 20 -2.289 3.867 4.066 1.00 0.00 C ATOM 284 O LEU A 20 -3.163 4.603 3.608 1.00 0.00 O ATOM 285 CB LEU A 20 0.034 3.818 3.019 1.00 0.00 C ATOM 286 CG LEU A 20 -0.448 4.193 1.578 1.00 0.00 C ATOM 287 CD1 LEU A 20 -0.600 5.716 1.411 1.00 0.00 C ATOM 288 CD2 LEU A 20 0.483 3.616 0.502 1.00 0.00 C ATOM 0 H LEU A 20 0.553 3.425 5.426 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.863 5.468 4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.056 4.175 3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.063 2.732 3.104 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.431 3.742 1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.936 5.939 0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.332 6.089 2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.361 6.199 1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.116 3.897 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.489 4.011 0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.505 2.529 0.585 1.00 0.00 H new ATOM 300 N MET A 21 -2.532 2.617 4.510 1.00 0.00 N ATOM 301 CA MET A 21 -3.871 1.992 4.454 1.00 0.00 C ATOM 302 C MET A 21 -4.872 2.771 5.337 1.00 0.00 C ATOM 303 O MET A 21 -6.066 2.762 5.070 1.00 0.00 O ATOM 304 CB MET A 21 -3.804 0.495 4.886 1.00 0.00 C ATOM 305 CG MET A 21 -2.947 -0.403 3.972 1.00 0.00 C ATOM 306 SD MET A 21 -3.595 -0.566 2.290 1.00 0.00 S ATOM 307 CE MET A 21 -4.942 -1.728 2.523 1.00 0.00 C ATOM 0 H MET A 21 -1.813 2.016 4.914 1.00 0.00 H new ATOM 0 HA MET A 21 -4.221 2.031 3.422 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.408 0.441 5.900 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.817 0.095 4.918 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.937 0.003 3.924 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.872 -1.394 4.420 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.705 -2.665 2.019 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.082 -1.914 3.588 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.858 -1.312 2.104 1.00 0.00 H new ATOM 317 N THR A 22 -4.360 3.430 6.396 1.00 0.00 N ATOM 318 CA THR A 22 -5.174 4.275 7.293 1.00 0.00 C ATOM 319 C THR A 22 -5.544 5.613 6.626 1.00 0.00 C ATOM 320 O THR A 22 -6.675 6.098 6.784 1.00 0.00 O ATOM 321 CB THR A 22 -4.434 4.519 8.639 1.00 0.00 C ATOM 322 OG1 THR A 22 -3.955 3.267 9.126 1.00 0.00 O ATOM 323 CG2 THR A 22 -5.336 5.141 9.718 1.00 0.00 C ATOM 0 H THR A 22 -3.374 3.392 6.653 1.00 0.00 H new ATOM 0 HA THR A 22 -6.101 3.740 7.499 1.00 0.00 H new ATOM 0 HB THR A 22 -3.624 5.221 8.441 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.183 2.982 8.593 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.762 5.286 10.633 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.711 6.103 9.368 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.175 4.475 9.919 1.00 0.00 H new ATOM 331 N GLU A 23 -4.589 6.195 5.873 1.00 0.00 N ATOM 332 CA GLU A 23 -4.829 7.426 5.096 1.00 0.00 C ATOM 333 C GLU A 23 -5.885 7.173 4.004 1.00 0.00 C ATOM 334 O GLU A 23 -6.737 8.017 3.725 1.00 0.00 O ATOM 335 CB GLU A 23 -3.515 7.929 4.436 1.00 0.00 C ATOM 336 CG GLU A 23 -2.312 8.097 5.388 1.00 0.00 C ATOM 337 CD GLU A 23 -2.625 8.905 6.664 1.00 0.00 C ATOM 338 OE1 GLU A 23 -2.611 10.152 6.610 1.00 0.00 O ATOM 339 OE2 GLU A 23 -2.859 8.298 7.733 1.00 0.00 O ATOM 0 H GLU A 23 -3.641 5.830 5.787 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.194 8.190 5.783 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.236 7.231 3.647 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.714 8.888 3.958 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.950 7.110 5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.502 8.589 4.849 1.00 0.00 H new ATOM 346 N LEU A 24 -5.800 5.983 3.398 1.00 0.00 N ATOM 347 CA LEU A 24 -6.660 5.570 2.281 1.00 0.00 C ATOM 348 C LEU A 24 -7.930 4.837 2.780 1.00 0.00 C ATOM 349 O LEU A 24 -8.766 4.431 1.966 1.00 0.00 O ATOM 350 CB LEU A 24 -5.825 4.693 1.311 1.00 0.00 C ATOM 351 CG LEU A 24 -4.528 5.364 0.749 1.00 0.00 C ATOM 352 CD1 LEU A 24 -3.729 4.399 -0.132 1.00 0.00 C ATOM 353 CD2 LEU A 24 -4.833 6.673 -0.002 1.00 0.00 C ATOM 0 H LEU A 24 -5.124 5.270 3.672 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.014 6.452 1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.544 3.775 1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.458 4.405 0.472 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.910 5.619 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.836 4.901 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.438 3.527 0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.344 4.081 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.904 7.104 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.498 6.465 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.313 7.378 0.676 1.00 0.00 H new ATOM 365 N ASP A 25 -8.037 4.656 4.116 1.00 0.00 N ATOM 366 CA ASP A 25 -9.253 4.151 4.811 1.00 0.00 C ATOM 367 C ASP A 25 -9.616 2.704 4.424 1.00 0.00 C ATOM 368 O ASP A 25 -10.776 2.291 4.513 1.00 0.00 O ATOM 369 CB ASP A 25 -10.466 5.115 4.623 1.00 0.00 C ATOM 370 CG ASP A 25 -10.286 6.460 5.351 1.00 0.00 C ATOM 371 OD1 ASP A 25 -10.478 6.503 6.583 1.00 0.00 O ATOM 372 OD2 ASP A 25 -9.939 7.474 4.706 1.00 0.00 O ATOM 0 H ASP A 25 -7.270 4.859 4.757 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.005 4.128 5.872 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.613 5.301 3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.370 4.628 4.989 1.00 0.00 H new ATOM 377 N CYS A 26 -8.594 1.922 4.063 1.00 0.00 N ATOM 378 CA CYS A 26 -8.721 0.503 3.693 1.00 0.00 C ATOM 379 C CYS A 26 -7.980 -0.395 4.708 1.00 0.00 C ATOM 380 O CYS A 26 -7.666 -1.550 4.410 1.00 0.00 O ATOM 381 CB CYS A 26 -8.141 0.303 2.281 1.00 0.00 C ATOM 382 SG CYS A 26 -8.954 1.292 1.014 1.00 0.00 S ATOM 0 H CYS A 26 -7.633 2.262 4.018 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.774 0.221 3.703 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.080 0.550 2.296 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -8.219 -0.750 2.012 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.908 2.548 1.348 1.00 0.00 H new ATOM 388 N THR A 27 -7.744 0.132 5.930 1.00 0.00 N ATOM 389 CA THR A 27 -6.970 -0.567 6.978 1.00 0.00 C ATOM 390 C THR A 27 -7.882 -1.530 7.773 1.00 0.00 C ATOM 391 O THR A 27 -8.093 -1.398 8.985 1.00 0.00 O ATOM 392 CB THR A 27 -6.201 0.460 7.901 1.00 0.00 C ATOM 393 OG1 THR A 27 -5.385 -0.230 8.864 1.00 0.00 O ATOM 394 CG2 THR A 27 -7.138 1.457 8.615 1.00 0.00 C ATOM 0 H THR A 27 -8.084 1.050 6.216 1.00 0.00 H new ATOM 0 HA THR A 27 -6.203 -1.178 6.502 1.00 0.00 H new ATOM 0 HB THR A 27 -5.564 1.045 7.238 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.917 0.424 9.424 1.00 0.00 H new ATOM 0 HG21 THR A 27 -6.547 2.134 9.232 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.691 2.033 7.872 1.00 0.00 H new ATOM 0 HG23 THR A 27 -7.839 0.910 9.245 1.00 0.00 H new ATOM 402 N ASP A 28 -8.422 -2.520 7.055 1.00 0.00 N ATOM 403 CA ASP A 28 -9.416 -3.464 7.595 1.00 0.00 C ATOM 404 C ASP A 28 -9.121 -4.887 7.072 1.00 0.00 C ATOM 405 O ASP A 28 -8.455 -5.045 6.044 1.00 0.00 O ATOM 406 CB ASP A 28 -10.829 -2.982 7.182 1.00 0.00 C ATOM 407 CG ASP A 28 -11.980 -3.801 7.785 1.00 0.00 C ATOM 408 OD1 ASP A 28 -12.434 -3.466 8.893 1.00 0.00 O ATOM 409 OD2 ASP A 28 -12.421 -4.790 7.165 1.00 0.00 O ATOM 0 H ASP A 28 -8.183 -2.693 6.078 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.364 -3.498 8.683 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.946 -1.940 7.480 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.907 -3.014 6.095 1.00 0.00 H new ATOM 414 N GLY A 29 -9.629 -5.910 7.797 1.00 0.00 N ATOM 415 CA GLY A 29 -9.333 -7.321 7.517 1.00 0.00 C ATOM 416 C GLY A 29 -9.959 -7.853 6.237 1.00 0.00 C ATOM 417 O GLY A 29 -9.480 -8.841 5.677 1.00 0.00 O ATOM 0 H GLY A 29 -10.255 -5.773 8.591 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.252 -7.448 7.458 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.680 -7.926 8.355 1.00 0.00 H new ATOM 421 N HIS A 30 -11.057 -7.211 5.791 1.00 0.00 N ATOM 422 CA HIS A 30 -11.725 -7.563 4.516 1.00 0.00 C ATOM 423 C HIS A 30 -10.855 -7.129 3.330 1.00 0.00 C ATOM 424 O HIS A 30 -10.945 -7.699 2.238 1.00 0.00 O ATOM 425 CB HIS A 30 -13.130 -6.914 4.415 1.00 0.00 C ATOM 426 CG HIS A 30 -14.140 -7.418 5.423 1.00 0.00 C ATOM 427 ND1 HIS A 30 -14.587 -6.667 6.493 1.00 0.00 N ATOM 428 CD2 HIS A 30 -14.812 -8.595 5.498 1.00 0.00 C ATOM 429 CE1 HIS A 30 -15.483 -7.353 7.168 1.00 0.00 C ATOM 430 NE2 HIS A 30 -15.637 -8.525 6.584 1.00 0.00 N ATOM 0 H HIS A 30 -11.503 -6.444 6.294 1.00 0.00 H new ATOM 0 HA HIS A 30 -11.854 -8.645 4.491 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -13.025 -5.836 4.536 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -13.522 -7.086 3.413 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -14.271 -5.725 6.724 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -14.713 -9.432 4.823 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -16.004 -7.014 8.051 1.00 0.00 H new ATOM 439 N TYR A 31 -10.009 -6.111 3.572 1.00 0.00 N ATOM 440 CA TYR A 31 -9.068 -5.587 2.575 1.00 0.00 C ATOM 441 C TYR A 31 -7.718 -6.292 2.695 1.00 0.00 C ATOM 442 O TYR A 31 -7.377 -6.871 3.731 1.00 0.00 O ATOM 443 CB TYR A 31 -8.848 -4.060 2.750 1.00 0.00 C ATOM 444 CG TYR A 31 -10.100 -3.203 2.539 1.00 0.00 C ATOM 445 CD1 TYR A 31 -11.007 -3.007 3.571 1.00 0.00 C ATOM 446 CD2 TYR A 31 -10.371 -2.599 1.310 1.00 0.00 C ATOM 447 CE1 TYR A 31 -12.137 -2.243 3.399 1.00 0.00 C ATOM 448 CE2 TYR A 31 -11.503 -1.827 1.128 1.00 0.00 C ATOM 449 CZ TYR A 31 -12.385 -1.655 2.177 1.00 0.00 C ATOM 450 OH TYR A 31 -13.526 -0.900 1.999 1.00 0.00 O ATOM 0 H TYR A 31 -9.962 -5.629 4.470 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.502 -5.773 1.592 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.463 -3.875 3.753 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.080 -3.735 2.048 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.821 -3.465 4.531 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.685 -2.737 0.488 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.827 -2.104 4.218 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.696 -1.362 0.173 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.550 -0.555 1.082 1.00 0.00 H new ATOM 460 N ALA A 32 -6.969 -6.225 1.600 1.00 0.00 N ATOM 461 CA ALA A 32 -5.560 -6.609 1.526 1.00 0.00 C ATOM 462 C ALA A 32 -4.805 -5.497 0.782 1.00 0.00 C ATOM 463 O ALA A 32 -5.397 -4.466 0.434 1.00 0.00 O ATOM 464 CB ALA A 32 -5.412 -7.968 0.820 1.00 0.00 C ATOM 0 H ALA A 32 -7.336 -5.891 0.709 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.139 -6.724 2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.358 -8.240 0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.959 -8.729 1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.815 -7.899 -0.191 1.00 0.00 H new ATOM 470 N VAL A 33 -3.511 -5.696 0.546 1.00 0.00 N ATOM 471 CA VAL A 33 -2.683 -4.746 -0.211 1.00 0.00 C ATOM 472 C VAL A 33 -1.622 -5.515 -1.001 1.00 0.00 C ATOM 473 O VAL A 33 -1.314 -6.658 -0.665 1.00 0.00 O ATOM 474 CB VAL A 33 -2.007 -3.698 0.744 1.00 0.00 C ATOM 475 CG1 VAL A 33 -0.943 -4.354 1.637 1.00 0.00 C ATOM 476 CG2 VAL A 33 -1.428 -2.496 -0.029 1.00 0.00 C ATOM 0 H VAL A 33 -3.002 -6.518 0.871 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.322 -4.197 -0.903 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.792 -3.311 1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.496 -3.600 2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.408 -5.128 2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.169 -4.801 1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.971 -1.798 0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.675 -2.846 -0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.228 -1.993 -0.572 1.00 0.00 H new ATOM 486 N ALA A 34 -1.092 -4.893 -2.057 1.00 0.00 N ATOM 487 CA ALA A 34 -0.024 -5.471 -2.875 1.00 0.00 C ATOM 488 C ALA A 34 1.094 -4.439 -3.111 1.00 0.00 C ATOM 489 O ALA A 34 0.901 -3.473 -3.836 1.00 0.00 O ATOM 490 CB ALA A 34 -0.597 -5.988 -4.200 1.00 0.00 C ATOM 0 H ALA A 34 -1.393 -3.970 -2.370 1.00 0.00 H new ATOM 0 HA ALA A 34 0.413 -6.316 -2.343 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.205 -6.416 -4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.347 -6.753 -3.998 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.057 -5.163 -4.744 1.00 0.00 H new ATOM 496 N LEU A 35 2.262 -4.676 -2.492 1.00 0.00 N ATOM 497 CA LEU A 35 3.461 -3.840 -2.681 1.00 0.00 C ATOM 498 C LEU A 35 4.260 -4.407 -3.866 1.00 0.00 C ATOM 499 O LEU A 35 4.839 -5.491 -3.759 1.00 0.00 O ATOM 500 CB LEU A 35 4.336 -3.820 -1.394 1.00 0.00 C ATOM 501 CG LEU A 35 5.672 -2.997 -1.477 1.00 0.00 C ATOM 502 CD1 LEU A 35 5.404 -1.494 -1.625 1.00 0.00 C ATOM 503 CD2 LEU A 35 6.589 -3.279 -0.276 1.00 0.00 C ATOM 0 H LEU A 35 2.403 -5.453 -1.846 1.00 0.00 H new ATOM 0 HA LEU A 35 3.162 -2.812 -2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.736 -3.418 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.583 -4.849 -1.131 1.00 0.00 H new ATOM 0 HG LEU A 35 6.193 -3.329 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.352 -0.959 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.833 -1.314 -2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.836 -1.139 -0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.502 -2.692 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.075 -3.007 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.841 -4.339 -0.251 1.00 0.00 H new ATOM 515 N ASN A 36 4.256 -3.662 -4.987 1.00 0.00 N ATOM 516 CA ASN A 36 4.919 -4.037 -6.258 1.00 0.00 C ATOM 517 C ASN A 36 4.507 -5.444 -6.726 1.00 0.00 C ATOM 518 O ASN A 36 5.310 -6.385 -6.681 1.00 0.00 O ATOM 519 CB ASN A 36 6.464 -3.899 -6.162 1.00 0.00 C ATOM 520 CG ASN A 36 6.890 -2.473 -5.832 1.00 0.00 C ATOM 521 OD1 ASN A 36 6.996 -1.635 -6.715 1.00 0.00 O ATOM 522 ND2 ASN A 36 7.148 -2.189 -4.565 1.00 0.00 N ATOM 0 H ASN A 36 3.782 -2.761 -5.039 1.00 0.00 H new ATOM 0 HA ASN A 36 4.576 -3.332 -7.016 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.842 -4.577 -5.396 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.915 -4.203 -7.107 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.444 -1.249 -4.303 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.050 -2.910 -3.851 1.00 0.00 H new ATOM 529 N TYR A 37 3.207 -5.576 -7.073 1.00 0.00 N ATOM 530 CA TYR A 37 2.598 -6.809 -7.652 1.00 0.00 C ATOM 531 C TYR A 37 2.538 -7.979 -6.638 1.00 0.00 C ATOM 532 O TYR A 37 2.053 -9.065 -6.971 1.00 0.00 O ATOM 533 CB TYR A 37 3.344 -7.270 -8.946 1.00 0.00 C ATOM 534 CG TYR A 37 3.502 -6.184 -10.024 1.00 0.00 C ATOM 535 CD1 TYR A 37 2.447 -5.840 -10.863 1.00 0.00 C ATOM 536 CD2 TYR A 37 4.712 -5.500 -10.189 1.00 0.00 C ATOM 537 CE1 TYR A 37 2.591 -4.858 -11.819 1.00 0.00 C ATOM 538 CE2 TYR A 37 4.857 -4.521 -11.142 1.00 0.00 C ATOM 539 CZ TYR A 37 3.796 -4.200 -11.956 1.00 0.00 C ATOM 540 OH TYR A 37 3.936 -3.205 -12.900 1.00 0.00 O ATOM 0 H TYR A 37 2.534 -4.818 -6.959 1.00 0.00 H new ATOM 0 HA TYR A 37 1.574 -6.539 -7.912 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.334 -7.632 -8.668 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.806 -8.114 -9.377 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.500 -6.350 -10.764 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.550 -5.747 -9.554 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.761 -4.603 -12.461 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.800 -4.006 -11.251 1.00 0.00 H new ATOM 0 HH TYR A 37 3.379 -2.438 -12.652 1.00 0.00 H new ATOM 550 N ASP A 38 3.001 -7.742 -5.402 1.00 0.00 N ATOM 551 CA ASP A 38 3.186 -8.785 -4.377 1.00 0.00 C ATOM 552 C ASP A 38 2.309 -8.470 -3.162 1.00 0.00 C ATOM 553 O ASP A 38 2.513 -7.449 -2.497 1.00 0.00 O ATOM 554 CB ASP A 38 4.681 -8.849 -3.974 1.00 0.00 C ATOM 555 CG ASP A 38 4.953 -9.778 -2.782 1.00 0.00 C ATOM 556 OD1 ASP A 38 4.940 -11.006 -2.965 1.00 0.00 O ATOM 557 OD2 ASP A 38 5.161 -9.287 -1.650 1.00 0.00 O ATOM 0 H ASP A 38 3.261 -6.810 -5.080 1.00 0.00 H new ATOM 0 HA ASP A 38 2.890 -9.755 -4.776 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.266 -9.187 -4.829 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.027 -7.845 -3.729 1.00 0.00 H new ATOM 562 N VAL A 39 1.350 -9.361 -2.882 1.00 0.00 N ATOM 563 CA VAL A 39 0.355 -9.167 -1.826 1.00 0.00 C ATOM 564 C VAL A 39 0.999 -9.280 -0.431 1.00 0.00 C ATOM 565 O VAL A 39 1.570 -10.317 -0.079 1.00 0.00 O ATOM 566 CB VAL A 39 -0.835 -10.182 -1.960 1.00 0.00 C ATOM 567 CG1 VAL A 39 -1.908 -9.973 -0.850 1.00 0.00 C ATOM 568 CG2 VAL A 39 -1.464 -10.087 -3.370 1.00 0.00 C ATOM 0 H VAL A 39 1.244 -10.241 -3.386 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.046 -8.160 -1.943 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.433 -11.186 -1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.713 -10.696 -0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.450 -10.113 0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.313 -8.963 -0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.288 -10.796 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.838 -9.076 -3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.710 -10.321 -4.121 1.00 0.00 H new ATOM 578 N VAL A 40 0.898 -8.189 0.339 1.00 0.00 N ATOM 579 CA VAL A 40 1.380 -8.112 1.720 1.00 0.00 C ATOM 580 C VAL A 40 0.219 -8.485 2.676 1.00 0.00 C ATOM 581 O VAL A 40 -0.853 -7.855 2.606 1.00 0.00 O ATOM 582 CB VAL A 40 1.902 -6.664 2.052 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.373 -6.537 3.522 1.00 0.00 C ATOM 584 CG2 VAL A 40 3.014 -6.233 1.069 1.00 0.00 C ATOM 0 H VAL A 40 0.472 -7.322 0.012 1.00 0.00 H new ATOM 0 HA VAL A 40 2.209 -8.808 1.848 1.00 0.00 H new ATOM 0 HB VAL A 40 1.059 -5.984 1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.724 -5.522 3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.542 -6.759 4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.185 -7.241 3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.355 -5.229 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.850 -6.929 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.622 -6.237 0.052 1.00 0.00 H new ATOM 594 N PRO A 41 0.402 -9.510 3.576 1.00 0.00 N ATOM 595 CA PRO A 41 -0.624 -9.876 4.581 1.00 0.00 C ATOM 596 C PRO A 41 -0.759 -8.789 5.671 1.00 0.00 C ATOM 597 O PRO A 41 0.190 -8.030 5.918 1.00 0.00 O ATOM 598 CB PRO A 41 -0.104 -11.220 5.155 1.00 0.00 C ATOM 599 CG PRO A 41 1.385 -11.163 4.963 1.00 0.00 C ATOM 600 CD PRO A 41 1.613 -10.372 3.686 1.00 0.00 C ATOM 0 HA PRO A 41 -1.625 -9.965 4.158 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.364 -11.329 6.208 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.539 -12.070 4.630 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.870 -10.681 5.812 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.807 -12.165 4.882 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.524 -9.776 3.743 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.715 -11.029 2.822 1.00 0.00 H new ATOM 608 N ARG A 42 -1.949 -8.728 6.299 1.00 0.00 N ATOM 609 CA ARG A 42 -2.342 -7.656 7.233 1.00 0.00 C ATOM 610 C ARG A 42 -1.353 -7.501 8.399 1.00 0.00 C ATOM 611 O ARG A 42 -0.976 -6.375 8.746 1.00 0.00 O ATOM 612 CB ARG A 42 -3.788 -7.879 7.752 1.00 0.00 C ATOM 613 CG ARG A 42 -4.311 -6.792 8.725 1.00 0.00 C ATOM 614 CD ARG A 42 -5.787 -6.989 9.095 1.00 0.00 C ATOM 615 NE ARG A 42 -6.060 -8.350 9.604 1.00 0.00 N ATOM 616 CZ ARG A 42 -7.124 -8.720 10.339 1.00 0.00 C ATOM 617 NH1 ARG A 42 -8.061 -7.841 10.699 1.00 0.00 N ATOM 618 NH2 ARG A 42 -7.257 -9.993 10.672 1.00 0.00 N ATOM 0 H ARG A 42 -2.675 -9.433 6.170 1.00 0.00 H new ATOM 0 HA ARG A 42 -2.316 -6.721 6.674 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.461 -7.933 6.896 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.833 -8.846 8.254 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.708 -6.803 9.633 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.183 -5.810 8.269 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.071 -6.257 9.851 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.407 -6.800 8.219 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.379 -9.075 9.377 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.979 -6.864 10.417 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.859 -8.146 11.257 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.560 -10.674 10.372 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.057 -10.294 11.229 1.00 0.00 H new ATOM 632 N GLY A 43 -0.889 -8.637 8.941 1.00 0.00 N ATOM 633 CA GLY A 43 0.066 -8.660 10.056 1.00 0.00 C ATOM 634 C GLY A 43 1.502 -8.325 9.662 1.00 0.00 C ATOM 635 O GLY A 43 2.431 -8.571 10.441 1.00 0.00 O ATOM 0 H GLY A 43 -1.166 -9.564 8.618 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.264 -7.952 10.816 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.049 -9.649 10.513 1.00 0.00 H new ATOM 639 N LYS A 44 1.690 -7.771 8.450 1.00 0.00 N ATOM 640 CA LYS A 44 2.991 -7.275 7.979 1.00 0.00 C ATOM 641 C LYS A 44 2.927 -5.804 7.552 1.00 0.00 C ATOM 642 O LYS A 44 3.976 -5.186 7.469 1.00 0.00 O ATOM 643 CB LYS A 44 3.522 -8.158 6.810 1.00 0.00 C ATOM 644 CG LYS A 44 4.077 -9.548 7.221 1.00 0.00 C ATOM 645 CD LYS A 44 5.593 -9.549 7.583 1.00 0.00 C ATOM 646 CE LYS A 44 5.964 -8.754 8.846 1.00 0.00 C ATOM 647 NZ LYS A 44 5.291 -9.280 10.063 1.00 0.00 N ATOM 0 H LYS A 44 0.939 -7.656 7.769 1.00 0.00 H new ATOM 0 HA LYS A 44 3.685 -7.341 8.817 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.714 -8.306 6.094 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.310 -7.610 6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.510 -9.914 8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.910 -10.250 6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.918 -10.581 7.714 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.152 -9.143 6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.044 -8.786 8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.692 -7.708 8.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.611 -8.745 10.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.261 -9.179 9.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.530 -10.285 10.185 1.00 0.00 H new ATOM 661 N TRP A 45 1.705 -5.261 7.304 1.00 0.00 N ATOM 662 CA TRP A 45 1.508 -3.866 6.785 1.00 0.00 C ATOM 663 C TRP A 45 2.375 -2.819 7.546 1.00 0.00 C ATOM 664 O TRP A 45 2.971 -1.923 6.934 1.00 0.00 O ATOM 665 CB TRP A 45 0.004 -3.439 6.866 1.00 0.00 C ATOM 666 CG TRP A 45 -0.962 -4.201 5.978 1.00 0.00 C ATOM 667 CD1 TRP A 45 -0.663 -5.133 5.033 1.00 0.00 C ATOM 668 CD2 TRP A 45 -2.397 -4.062 5.956 1.00 0.00 C ATOM 669 NE1 TRP A 45 -1.814 -5.599 4.444 1.00 0.00 N ATOM 670 CE2 TRP A 45 -2.889 -4.945 4.985 1.00 0.00 C ATOM 671 CE3 TRP A 45 -3.308 -3.271 6.662 1.00 0.00 C ATOM 672 CZ2 TRP A 45 -4.249 -5.070 4.709 1.00 0.00 C ATOM 673 CZ3 TRP A 45 -4.656 -3.392 6.389 1.00 0.00 C ATOM 674 CH2 TRP A 45 -5.119 -4.288 5.418 1.00 0.00 C ATOM 0 H TRP A 45 0.832 -5.767 7.454 1.00 0.00 H new ATOM 0 HA TRP A 45 1.829 -3.884 5.743 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.326 -3.545 7.899 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.065 -2.380 6.616 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.335 -5.460 4.782 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.860 -6.316 3.720 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.962 -2.574 7.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.605 -5.762 3.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.365 -2.786 6.933 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -6.179 -4.363 5.226 1.00 0.00 H new ATOM 685 N ASP A 46 2.429 -2.979 8.878 1.00 0.00 N ATOM 686 CA ASP A 46 3.188 -2.108 9.795 1.00 0.00 C ATOM 687 C ASP A 46 4.702 -2.182 9.514 1.00 0.00 C ATOM 688 O ASP A 46 5.374 -1.151 9.393 1.00 0.00 O ATOM 689 CB ASP A 46 2.875 -2.525 11.264 1.00 0.00 C ATOM 690 CG ASP A 46 3.577 -1.671 12.331 1.00 0.00 C ATOM 691 OD1 ASP A 46 3.012 -0.643 12.744 1.00 0.00 O ATOM 692 OD2 ASP A 46 4.692 -2.024 12.756 1.00 0.00 O ATOM 0 H ASP A 46 1.937 -3.732 9.359 1.00 0.00 H new ATOM 0 HA ASP A 46 2.883 -1.073 9.637 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.798 -2.469 11.423 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.164 -3.567 11.402 1.00 0.00 H new ATOM 697 N GLU A 47 5.208 -3.415 9.405 1.00 0.00 N ATOM 698 CA GLU A 47 6.649 -3.702 9.227 1.00 0.00 C ATOM 699 C GLU A 47 7.061 -3.721 7.743 1.00 0.00 C ATOM 700 O GLU A 47 8.236 -3.928 7.442 1.00 0.00 O ATOM 701 CB GLU A 47 6.998 -5.052 9.919 1.00 0.00 C ATOM 702 CG GLU A 47 6.773 -5.046 11.450 1.00 0.00 C ATOM 703 CD GLU A 47 6.957 -6.432 12.089 1.00 0.00 C ATOM 704 OE1 GLU A 47 5.987 -7.213 12.123 1.00 0.00 O ATOM 705 OE2 GLU A 47 8.075 -6.759 12.520 1.00 0.00 O ATOM 0 H GLU A 47 4.630 -4.254 9.437 1.00 0.00 H new ATOM 0 HA GLU A 47 7.215 -2.897 9.695 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.394 -5.844 9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.041 -5.295 9.715 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.468 -4.344 11.911 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.767 -4.685 11.663 1.00 0.00 H new ATOM 712 N THR A 48 6.104 -3.495 6.825 1.00 0.00 N ATOM 713 CA THR A 48 6.383 -3.405 5.381 1.00 0.00 C ATOM 714 C THR A 48 6.520 -1.916 4.991 1.00 0.00 C ATOM 715 O THR A 48 5.584 -1.142 5.213 1.00 0.00 O ATOM 716 CB THR A 48 5.259 -4.099 4.539 1.00 0.00 C ATOM 717 OG1 THR A 48 5.166 -5.481 4.909 1.00 0.00 O ATOM 718 CG2 THR A 48 5.525 -4.023 3.029 1.00 0.00 C ATOM 0 H THR A 48 5.120 -3.370 7.062 1.00 0.00 H new ATOM 0 HA THR A 48 7.314 -3.928 5.165 1.00 0.00 H new ATOM 0 HB THR A 48 4.330 -3.569 4.750 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.779 -5.554 5.806 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.716 -4.519 2.492 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.579 -2.979 2.721 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.469 -4.518 2.801 1.00 0.00 H new ATOM 726 N PRO A 49 7.698 -1.479 4.430 1.00 0.00 N ATOM 727 CA PRO A 49 7.920 -0.069 4.063 1.00 0.00 C ATOM 728 C PRO A 49 7.394 0.296 2.651 1.00 0.00 C ATOM 729 O PRO A 49 7.418 -0.530 1.723 1.00 0.00 O ATOM 730 CB PRO A 49 9.459 0.055 4.155 1.00 0.00 C ATOM 731 CG PRO A 49 9.981 -1.301 3.756 1.00 0.00 C ATOM 732 CD PRO A 49 8.904 -2.316 4.141 1.00 0.00 C ATOM 0 HA PRO A 49 7.377 0.620 4.710 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.833 0.834 3.490 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.775 0.319 5.164 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.183 -1.338 2.686 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.919 -1.520 4.266 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.715 -3.022 3.332 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.201 -2.901 5.012 1.00 0.00 H new ATOM 740 N VAL A 50 6.922 1.550 2.506 1.00 0.00 N ATOM 741 CA VAL A 50 6.477 2.120 1.223 1.00 0.00 C ATOM 742 C VAL A 50 7.694 2.726 0.491 1.00 0.00 C ATOM 743 O VAL A 50 8.457 3.501 1.084 1.00 0.00 O ATOM 744 CB VAL A 50 5.369 3.220 1.451 1.00 0.00 C ATOM 745 CG1 VAL A 50 4.920 3.876 0.125 1.00 0.00 C ATOM 746 CG2 VAL A 50 4.158 2.630 2.211 1.00 0.00 C ATOM 0 H VAL A 50 6.839 2.201 3.287 1.00 0.00 H new ATOM 0 HA VAL A 50 6.040 1.329 0.613 1.00 0.00 H new ATOM 0 HB VAL A 50 5.814 4.004 2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.157 4.627 0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.776 4.351 -0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.510 3.114 -0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.407 3.406 2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.728 1.813 1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.485 2.254 3.181 1.00 0.00 H new ATOM 756 N THR A 51 7.862 2.378 -0.788 1.00 0.00 N ATOM 757 CA THR A 51 9.038 2.754 -1.591 1.00 0.00 C ATOM 758 C THR A 51 8.671 3.901 -2.565 1.00 0.00 C ATOM 759 O THR A 51 7.539 3.972 -3.040 1.00 0.00 O ATOM 760 CB THR A 51 9.551 1.510 -2.399 1.00 0.00 C ATOM 761 OG1 THR A 51 9.627 0.364 -1.531 1.00 0.00 O ATOM 762 CG2 THR A 51 10.930 1.760 -3.054 1.00 0.00 C ATOM 0 H THR A 51 7.180 1.822 -1.304 1.00 0.00 H new ATOM 0 HA THR A 51 9.828 3.097 -0.923 1.00 0.00 H new ATOM 0 HB THR A 51 8.837 1.327 -3.202 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.946 -0.411 -2.039 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.240 0.869 -3.601 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.858 2.602 -3.743 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.665 1.985 -2.281 1.00 0.00 H new ATOM 770 N ALA A 52 9.626 4.794 -2.853 1.00 0.00 N ATOM 771 CA ALA A 52 9.437 5.902 -3.804 1.00 0.00 C ATOM 772 C ALA A 52 9.289 5.373 -5.246 1.00 0.00 C ATOM 773 O ALA A 52 10.219 4.756 -5.778 1.00 0.00 O ATOM 774 CB ALA A 52 10.619 6.878 -3.695 1.00 0.00 C ATOM 0 H ALA A 52 10.555 4.770 -2.433 1.00 0.00 H new ATOM 0 HA ALA A 52 8.517 6.430 -3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.479 7.698 -4.399 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.671 7.275 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.546 6.354 -3.928 1.00 0.00 H new ATOM 780 N GLY A 53 8.111 5.610 -5.850 1.00 0.00 N ATOM 781 CA GLY A 53 7.821 5.176 -7.218 1.00 0.00 C ATOM 782 C GLY A 53 7.537 3.694 -7.311 1.00 0.00 C ATOM 783 O GLY A 53 7.894 3.051 -8.306 1.00 0.00 O ATOM 0 H GLY A 53 7.340 6.106 -5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.963 5.731 -7.597 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.667 5.421 -7.860 1.00 0.00 H new ATOM 787 N ASP A 54 6.911 3.134 -6.262 1.00 0.00 N ATOM 788 CA ASP A 54 6.489 1.714 -6.247 1.00 0.00 C ATOM 789 C ASP A 54 5.124 1.542 -6.941 1.00 0.00 C ATOM 790 O ASP A 54 4.662 2.446 -7.640 1.00 0.00 O ATOM 791 CB ASP A 54 6.457 1.161 -4.779 1.00 0.00 C ATOM 792 CG ASP A 54 5.420 1.801 -3.806 1.00 0.00 C ATOM 793 OD1 ASP A 54 4.357 2.307 -4.230 1.00 0.00 O ATOM 794 OD2 ASP A 54 5.665 1.762 -2.587 1.00 0.00 O ATOM 0 H ASP A 54 6.683 3.642 -5.407 1.00 0.00 H new ATOM 0 HA ASP A 54 7.221 1.132 -6.807 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.263 0.089 -4.824 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.450 1.287 -4.347 1.00 0.00 H new ATOM 799 N GLU A 55 4.486 0.378 -6.734 1.00 0.00 N ATOM 800 CA GLU A 55 3.089 0.159 -7.132 1.00 0.00 C ATOM 801 C GLU A 55 2.319 -0.539 -5.989 1.00 0.00 C ATOM 802 O GLU A 55 2.353 -1.768 -5.865 1.00 0.00 O ATOM 803 CB GLU A 55 3.000 -0.656 -8.452 1.00 0.00 C ATOM 804 CG GLU A 55 1.581 -0.668 -9.069 1.00 0.00 C ATOM 805 CD GLU A 55 1.434 -1.643 -10.248 1.00 0.00 C ATOM 806 OE1 GLU A 55 2.016 -1.387 -11.320 1.00 0.00 O ATOM 807 OE2 GLU A 55 0.737 -2.668 -10.105 1.00 0.00 O ATOM 0 H GLU A 55 4.921 -0.430 -6.290 1.00 0.00 H new ATOM 0 HA GLU A 55 2.626 1.128 -7.321 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.700 -0.239 -9.176 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.314 -1.682 -8.259 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.860 -0.933 -8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.331 0.338 -9.406 1.00 0.00 H new ATOM 814 N ILE A 56 1.641 0.253 -5.144 1.00 0.00 N ATOM 815 CA ILE A 56 0.800 -0.260 -4.041 1.00 0.00 C ATOM 816 C ILE A 56 -0.671 -0.356 -4.500 1.00 0.00 C ATOM 817 O ILE A 56 -1.383 0.647 -4.566 1.00 0.00 O ATOM 818 CB ILE A 56 0.959 0.630 -2.746 1.00 0.00 C ATOM 819 CG1 ILE A 56 2.389 0.430 -2.161 1.00 0.00 C ATOM 820 CG2 ILE A 56 -0.125 0.343 -1.675 1.00 0.00 C ATOM 821 CD1 ILE A 56 2.671 1.152 -0.860 1.00 0.00 C ATOM 0 H ILE A 56 1.658 1.271 -5.203 1.00 0.00 H new ATOM 0 HA ILE A 56 1.135 -1.263 -3.777 1.00 0.00 H new ATOM 0 HB ILE A 56 0.819 1.671 -3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.553 -0.636 -2.007 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.115 0.760 -2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.039 0.986 -0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.112 0.542 -2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.065 -0.701 -1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.693 0.944 -0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.547 2.225 -1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.976 0.807 -0.094 1.00 0.00 H new ATOM 833 N GLU A 57 -1.101 -1.575 -4.846 1.00 0.00 N ATOM 834 CA GLU A 57 -2.485 -1.868 -5.252 1.00 0.00 C ATOM 835 C GLU A 57 -3.274 -2.363 -4.039 1.00 0.00 C ATOM 836 O GLU A 57 -2.975 -3.436 -3.499 1.00 0.00 O ATOM 837 CB GLU A 57 -2.494 -2.930 -6.380 1.00 0.00 C ATOM 838 CG GLU A 57 -3.890 -3.258 -6.957 1.00 0.00 C ATOM 839 CD GLU A 57 -3.833 -4.238 -8.135 1.00 0.00 C ATOM 840 OE1 GLU A 57 -3.532 -3.801 -9.271 1.00 0.00 O ATOM 841 OE2 GLU A 57 -4.062 -5.448 -7.938 1.00 0.00 O ATOM 0 H GLU A 57 -0.494 -2.395 -4.853 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.954 -0.961 -5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.855 -2.582 -7.191 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.051 -3.849 -5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.513 -3.681 -6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.370 -2.335 -7.282 1.00 0.00 H new ATOM 848 N ILE A 58 -4.267 -1.588 -3.601 1.00 0.00 N ATOM 849 CA ILE A 58 -5.156 -1.990 -2.508 1.00 0.00 C ATOM 850 C ILE A 58 -6.184 -2.991 -3.039 1.00 0.00 C ATOM 851 O ILE A 58 -6.827 -2.761 -4.072 1.00 0.00 O ATOM 852 CB ILE A 58 -5.901 -0.774 -1.856 1.00 0.00 C ATOM 853 CG1 ILE A 58 -4.869 0.210 -1.232 1.00 0.00 C ATOM 854 CG2 ILE A 58 -6.939 -1.247 -0.800 1.00 0.00 C ATOM 855 CD1 ILE A 58 -5.486 1.415 -0.560 1.00 0.00 C ATOM 0 H ILE A 58 -4.478 -0.669 -3.991 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.538 -2.443 -1.733 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.453 -0.249 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.266 -0.329 -0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.192 0.552 -2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.438 -0.380 -0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.678 -1.890 -1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.430 -1.803 -0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.698 2.048 -0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.065 1.981 -1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.141 1.086 0.247 1.00 0.00 H new ATOM 867 N LEU A 59 -6.309 -4.103 -2.328 1.00 0.00 N ATOM 868 CA LEU A 59 -7.230 -5.175 -2.657 1.00 0.00 C ATOM 869 C LEU A 59 -8.426 -5.149 -1.709 1.00 0.00 C ATOM 870 O LEU A 59 -8.314 -4.738 -0.557 1.00 0.00 O ATOM 871 CB LEU A 59 -6.478 -6.525 -2.579 1.00 0.00 C ATOM 872 CG LEU A 59 -5.283 -6.655 -3.564 1.00 0.00 C ATOM 873 CD1 LEU A 59 -4.505 -7.961 -3.343 1.00 0.00 C ATOM 874 CD2 LEU A 59 -5.764 -6.515 -5.022 1.00 0.00 C ATOM 0 H LEU A 59 -5.759 -4.286 -1.488 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.610 -5.043 -3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.111 -6.664 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.184 -7.332 -2.776 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.589 -5.839 -3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.677 -8.016 -4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.115 -7.984 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.170 -8.811 -3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.913 -6.609 -5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.490 -7.298 -5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.230 -5.539 -5.159 1.00 0.00 H new ATOM 886 N THR A 60 -9.571 -5.549 -2.245 1.00 0.00 N ATOM 887 CA THR A 60 -10.783 -5.831 -1.487 1.00 0.00 C ATOM 888 C THR A 60 -11.447 -7.061 -2.146 1.00 0.00 C ATOM 889 O THR A 60 -12.409 -6.941 -2.914 1.00 0.00 O ATOM 890 CB THR A 60 -11.726 -4.567 -1.414 1.00 0.00 C ATOM 891 OG1 THR A 60 -12.962 -4.885 -0.763 1.00 0.00 O ATOM 892 CG2 THR A 60 -12.001 -3.935 -2.795 1.00 0.00 C ATOM 0 H THR A 60 -9.686 -5.690 -3.249 1.00 0.00 H new ATOM 0 HA THR A 60 -10.557 -6.060 -0.446 1.00 0.00 H new ATOM 0 HB THR A 60 -11.189 -3.824 -0.824 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.529 -4.086 -0.728 1.00 0.00 H new ATOM 0 HG21 THR A 60 -12.655 -3.071 -2.676 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.060 -3.618 -3.244 1.00 0.00 H new ATOM 0 HG23 THR A 60 -12.483 -4.669 -3.441 1.00 0.00 H new ATOM 900 N PRO A 61 -10.880 -8.284 -1.900 1.00 0.00 N ATOM 901 CA PRO A 61 -11.323 -9.513 -2.592 1.00 0.00 C ATOM 902 C PRO A 61 -12.773 -9.877 -2.208 1.00 0.00 C ATOM 903 O PRO A 61 -13.064 -10.091 -1.028 1.00 0.00 O ATOM 904 CB PRO A 61 -10.315 -10.582 -2.098 1.00 0.00 C ATOM 905 CG PRO A 61 -9.851 -10.071 -0.764 1.00 0.00 C ATOM 906 CD PRO A 61 -9.792 -8.569 -0.914 1.00 0.00 C ATOM 0 HA PRO A 61 -11.334 -9.414 -3.677 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.787 -11.560 -2.006 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.482 -10.693 -2.792 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.539 -10.361 0.030 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.874 -10.479 -0.504 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.965 -8.062 0.035 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.820 -8.238 -1.279 1.00 0.00 H new ATOM 914 N ARG A 62 -13.681 -9.881 -3.204 1.00 0.00 N ATOM 915 CA ARG A 62 -15.098 -10.255 -3.007 1.00 0.00 C ATOM 916 C ARG A 62 -15.191 -11.675 -2.422 1.00 0.00 C ATOM 917 O ARG A 62 -16.000 -11.942 -1.529 1.00 0.00 O ATOM 918 CB ARG A 62 -15.891 -10.167 -4.338 1.00 0.00 C ATOM 919 CG ARG A 62 -17.383 -10.560 -4.221 1.00 0.00 C ATOM 920 CD ARG A 62 -18.152 -10.426 -5.542 1.00 0.00 C ATOM 921 NE ARG A 62 -18.135 -9.048 -6.068 1.00 0.00 N ATOM 922 CZ ARG A 62 -19.198 -8.228 -6.154 1.00 0.00 C ATOM 923 NH1 ARG A 62 -20.413 -8.618 -5.754 1.00 0.00 N ATOM 924 NH2 ARG A 62 -19.051 -7.022 -6.673 1.00 0.00 N ATOM 0 H ARG A 62 -13.455 -9.626 -4.165 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.543 -9.550 -2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.825 -9.148 -4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.414 -10.814 -5.074 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -17.454 -11.590 -3.870 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -17.859 -9.933 -3.467 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.718 -11.099 -6.281 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -19.184 -10.741 -5.391 1.00 0.00 H new ATOM 0 HE ARG A 62 -17.239 -8.685 -6.395 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -20.549 -9.555 -5.374 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -21.204 -7.979 -5.829 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -18.136 -6.718 -7.005 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -19.853 -6.395 -6.741 1.00 0.00 H new ATOM 938 N GLN A 63 -14.350 -12.570 -2.955 1.00 0.00 N ATOM 939 CA GLN A 63 -14.160 -13.916 -2.412 1.00 0.00 C ATOM 940 C GLN A 63 -13.388 -13.847 -1.071 1.00 0.00 C ATOM 941 O GLN A 63 -12.157 -13.894 -1.054 1.00 0.00 O ATOM 942 CB GLN A 63 -13.400 -14.805 -3.443 1.00 0.00 C ATOM 943 CG GLN A 63 -13.924 -14.725 -4.896 1.00 0.00 C ATOM 944 CD GLN A 63 -15.412 -15.049 -5.044 1.00 0.00 C ATOM 945 OE1 GLN A 63 -16.258 -14.157 -4.968 1.00 0.00 O ATOM 946 NE2 GLN A 63 -15.737 -16.308 -5.266 1.00 0.00 N ATOM 0 H GLN A 63 -13.781 -12.377 -3.779 1.00 0.00 H new ATOM 0 HA GLN A 63 -15.135 -14.365 -2.222 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -12.348 -14.521 -3.437 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.452 -15.842 -3.112 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -13.742 -13.722 -5.281 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -13.350 -15.414 -5.516 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.009 -17.020 -5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.716 -16.569 -5.381 1.00 0.00 H new ATOM 955 N GLY A 64 -14.129 -13.654 0.034 1.00 0.00 N ATOM 956 CA GLY A 64 -13.560 -13.647 1.394 1.00 0.00 C ATOM 957 C GLY A 64 -14.044 -14.862 2.179 1.00 0.00 C ATOM 958 O GLY A 64 -14.777 -14.735 3.172 1.00 0.00 O ATOM 0 H GLY A 64 -15.137 -13.499 0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.471 -13.651 1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.850 -12.733 1.912 1.00 0.00 H new ATOM 962 N GLY A 65 -13.656 -16.045 1.691 1.00 0.00 N ATOM 963 CA GLY A 65 -14.056 -17.330 2.271 1.00 0.00 C ATOM 964 C GLY A 65 -13.715 -18.476 1.343 1.00 0.00 C ATOM 965 O GLY A 65 -13.006 -18.266 0.344 1.00 0.00 O ATOM 0 H GLY A 65 -13.050 -16.138 0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.555 -17.472 3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.128 -17.325 2.469 1.00 0.00 H new ATOM 969 N LEU A 66 -14.242 -19.684 1.658 1.00 0.00 N ATOM 970 CA LEU A 66 -13.992 -20.926 0.904 1.00 0.00 C ATOM 971 C LEU A 66 -12.472 -21.155 0.707 1.00 0.00 C ATOM 972 O LEU A 66 -11.981 -21.323 -0.414 1.00 0.00 O ATOM 973 CB LEU A 66 -14.773 -20.898 -0.446 1.00 0.00 C ATOM 974 CG LEU A 66 -16.329 -20.725 -0.345 1.00 0.00 C ATOM 975 CD1 LEU A 66 -16.994 -20.714 -1.738 1.00 0.00 C ATOM 976 CD2 LEU A 66 -16.961 -21.800 0.565 1.00 0.00 C ATOM 0 H LEU A 66 -14.862 -19.820 2.457 1.00 0.00 H new ATOM 0 HA LEU A 66 -14.362 -21.776 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.377 -20.084 -1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.566 -21.825 -0.981 1.00 0.00 H new ATOM 0 HG LEU A 66 -16.513 -19.753 0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -18.071 -20.592 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -16.595 -19.887 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -16.786 -21.655 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -18.039 -21.649 0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.750 -22.790 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -16.540 -21.721 1.567 1.00 0.00 H new ATOM 988 N GLU A 67 -11.757 -21.157 1.840 1.00 0.00 N ATOM 989 CA GLU A 67 -10.285 -21.202 1.892 1.00 0.00 C ATOM 990 C GLU A 67 -9.768 -22.652 1.875 1.00 0.00 C ATOM 991 O GLU A 67 -9.151 -23.129 2.842 1.00 0.00 O ATOM 992 CB GLU A 67 -9.789 -20.414 3.145 1.00 0.00 C ATOM 993 CG GLU A 67 -9.795 -18.879 2.977 1.00 0.00 C ATOM 994 CD GLU A 67 -8.711 -18.383 2.001 1.00 0.00 C ATOM 995 OE1 GLU A 67 -8.972 -18.281 0.787 1.00 0.00 O ATOM 996 OE2 GLU A 67 -7.585 -18.095 2.443 1.00 0.00 O ATOM 0 H GLU A 67 -12.190 -21.127 2.763 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.878 -20.723 1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.417 -20.677 3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.776 -20.737 3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.774 -18.561 2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.644 -18.411 3.950 1.00 0.00 H new ATOM 1003 N HIS A 68 -10.039 -23.346 0.758 1.00 0.00 N ATOM 1004 CA HIS A 68 -9.624 -24.744 0.553 1.00 0.00 C ATOM 1005 C HIS A 68 -8.111 -24.787 0.291 1.00 0.00 C ATOM 1006 O HIS A 68 -7.395 -25.630 0.828 1.00 0.00 O ATOM 1007 CB HIS A 68 -10.423 -25.377 -0.622 1.00 0.00 C ATOM 1008 CG HIS A 68 -10.298 -26.879 -0.716 1.00 0.00 C ATOM 1009 ND1 HIS A 68 -11.155 -27.743 -0.070 1.00 0.00 N ATOM 1010 CD2 HIS A 68 -9.405 -27.664 -1.362 1.00 0.00 C ATOM 1011 CE1 HIS A 68 -10.792 -28.983 -0.312 1.00 0.00 C ATOM 1012 NE2 HIS A 68 -9.735 -28.962 -1.096 1.00 0.00 N ATOM 0 H HIS A 68 -10.553 -22.953 -0.030 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.839 -25.329 1.447 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -11.476 -25.117 -0.512 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -10.082 -24.936 -1.558 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -8.583 -27.326 -1.975 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -11.279 -29.869 0.068 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -9.242 -29.783 -1.448 1.00 0.00 H new ATOM 1021 N HIS A 69 -7.641 -23.873 -0.565 1.00 0.00 N ATOM 1022 CA HIS A 69 -6.210 -23.590 -0.754 1.00 0.00 C ATOM 1023 C HIS A 69 -5.924 -22.212 -0.142 1.00 0.00 C ATOM 1024 O HIS A 69 -5.921 -21.201 -0.858 1.00 0.00 O ATOM 1025 CB HIS A 69 -5.812 -23.622 -2.260 1.00 0.00 C ATOM 1026 CG HIS A 69 -5.832 -24.982 -2.906 1.00 0.00 C ATOM 1027 ND1 HIS A 69 -4.691 -25.622 -3.338 1.00 0.00 N ATOM 1028 CD2 HIS A 69 -6.858 -25.806 -3.225 1.00 0.00 C ATOM 1029 CE1 HIS A 69 -5.013 -26.774 -3.886 1.00 0.00 C ATOM 1030 NE2 HIS A 69 -6.322 -26.905 -3.835 1.00 0.00 N ATOM 0 H HIS A 69 -8.248 -23.302 -1.153 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.614 -24.358 -0.261 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.488 -22.967 -2.811 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -4.810 -23.205 -2.362 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -7.906 -25.628 -3.033 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.322 -27.490 -4.306 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -6.851 -27.700 -4.193 1.00 0.00 H new ATOM 1039 N HIS A 70 -5.766 -22.170 1.197 1.00 0.00 N ATOM 1040 CA HIS A 70 -5.480 -20.918 1.918 1.00 0.00 C ATOM 1041 C HIS A 70 -4.040 -20.450 1.607 1.00 0.00 C ATOM 1042 O HIS A 70 -3.064 -20.941 2.185 1.00 0.00 O ATOM 1043 CB HIS A 70 -5.750 -21.048 3.455 1.00 0.00 C ATOM 1044 CG HIS A 70 -5.060 -22.195 4.173 1.00 0.00 C ATOM 1045 ND1 HIS A 70 -3.722 -22.176 4.521 1.00 0.00 N ATOM 1046 CD2 HIS A 70 -5.548 -23.358 4.666 1.00 0.00 C ATOM 1047 CE1 HIS A 70 -3.427 -23.262 5.194 1.00 0.00 C ATOM 1048 NE2 HIS A 70 -4.515 -23.992 5.295 1.00 0.00 N ATOM 0 H HIS A 70 -5.832 -22.991 1.799 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.168 -20.150 1.564 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.449 -20.116 3.934 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.825 -21.150 3.604 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.563 -23.717 4.578 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.457 -23.513 5.596 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.578 -24.893 5.770 1.00 0.00 H new ATOM 1057 N HIS A 71 -3.925 -19.533 0.629 1.00 0.00 N ATOM 1058 CA HIS A 71 -2.632 -19.000 0.183 1.00 0.00 C ATOM 1059 C HIS A 71 -2.109 -17.963 1.190 1.00 0.00 C ATOM 1060 O HIS A 71 -2.641 -16.848 1.281 1.00 0.00 O ATOM 1061 CB HIS A 71 -2.745 -18.377 -1.231 1.00 0.00 C ATOM 1062 CG HIS A 71 -1.470 -17.706 -1.700 1.00 0.00 C ATOM 1063 ND1 HIS A 71 -1.315 -16.337 -1.754 1.00 0.00 N ATOM 1064 CD2 HIS A 71 -0.287 -18.226 -2.116 1.00 0.00 C ATOM 1065 CE1 HIS A 71 -0.098 -16.050 -2.167 1.00 0.00 C ATOM 1066 NE2 HIS A 71 0.543 -17.177 -2.395 1.00 0.00 N ATOM 0 H HIS A 71 -4.725 -19.144 0.130 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.922 -19.826 0.130 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.018 -19.157 -1.942 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.553 -17.646 -1.234 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.046 -19.275 -2.209 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.306 -15.057 -2.297 1.00 0.00 H new ATOM 0 HE2 HIS A 71 1.504 -17.255 -2.727 1.00 0.00 H new ATOM 1075 N HIS A 72 -1.092 -18.363 1.964 1.00 0.00 N ATOM 1076 CA HIS A 72 -0.388 -17.472 2.895 1.00 0.00 C ATOM 1077 C HIS A 72 0.851 -16.904 2.207 1.00 0.00 C ATOM 1078 O HIS A 72 1.516 -17.608 1.430 1.00 0.00 O ATOM 1079 CB HIS A 72 0.018 -18.216 4.200 1.00 0.00 C ATOM 1080 CG HIS A 72 -1.136 -18.638 5.076 1.00 0.00 C ATOM 1081 ND1 HIS A 72 -1.039 -18.757 6.441 1.00 0.00 N ATOM 1082 CD2 HIS A 72 -2.400 -19.009 4.771 1.00 0.00 C ATOM 1083 CE1 HIS A 72 -2.181 -19.180 6.927 1.00 0.00 C ATOM 1084 NE2 HIS A 72 -3.024 -19.344 5.932 1.00 0.00 N ATOM 0 H HIS A 72 -0.733 -19.318 1.962 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.062 -16.662 3.174 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.594 -19.101 3.932 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.678 -17.570 4.779 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.836 -19.035 3.783 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.393 -19.363 7.970 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.987 -19.669 6.017 1.00 0.00 H new ATOM 1093 N HIS A 73 1.143 -15.630 2.480 1.00 0.00 N ATOM 1094 CA HIS A 73 2.358 -14.968 2.002 1.00 0.00 C ATOM 1095 C HIS A 73 3.388 -14.951 3.163 1.00 0.00 C ATOM 1096 O HIS A 73 4.256 -15.846 3.211 1.00 0.00 O ATOM 1097 CB HIS A 73 2.025 -13.550 1.474 1.00 0.00 C ATOM 1098 CG HIS A 73 3.232 -12.777 1.001 1.00 0.00 C ATOM 1099 ND1 HIS A 73 4.052 -12.080 1.859 1.00 0.00 N ATOM 1100 CD2 HIS A 73 3.768 -12.632 -0.225 1.00 0.00 C ATOM 1101 CE1 HIS A 73 5.017 -11.513 1.175 1.00 0.00 C ATOM 1102 NE2 HIS A 73 4.870 -11.839 -0.091 1.00 0.00 N ATOM 1103 OXT HIS A 73 3.292 -14.078 4.053 1.00 0.00 O ATOM 0 H HIS A 73 0.541 -15.027 3.041 1.00 0.00 H new ATOM 0 HA HIS A 73 2.794 -15.510 1.163 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.315 -13.636 0.651 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.530 -12.985 2.264 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.396 -13.063 -1.143 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.798 -10.887 1.581 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.483 -11.545 -0.852 1.00 0.00 H new TER 1112 HIS A 73