USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 625 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 7 THR OG1 : rot 120:sc= 1.05 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.973 USER MOD Set 2.1: A 1 MET N :NH3+ -147:sc= -0.279 (180deg=-1.38!) USER MOD Set 2.2: A 2 GLN : amide:sc= -2.17! C(o=-2.4!,f=-3.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.283) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.438 USER MOD Single : A 14 THR OG1 : rot -73:sc= 1.01 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0284 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= -1.4 (180deg=-1.43) USER MOD Single : A 29 LYS NZ :NH3+ 143:sc= 1.28 (180deg=0.732) USER MOD Single : A 31 GLN : amide:sc=-0.00172 X(o=-0.0017,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -10.7! C(o=-11!,f=-7.3!) USER MOD Single : A 48 LYS NZ :NH3+ -131:sc= -1.12 (180deg=-3.15!) USER MOD Single : A 49 GLN : amide:sc= -2.77! C(o=-2.8!,f=-7.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.59 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 165:sc= 0 USER MOD Single : A 60 ASN : amide:sc=-0.00706 X(o=-0.0071,f=-0.0071) USER MOD Single : A 62 GLN : amide:sc= -0.968 K(o=-0.97,f=-0.041) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -170:sc= -0.387 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 77.879 -16.959 7.168 1.00 0.00 N ATOM 2 CA MET A 1 76.583 -16.522 6.581 1.00 0.00 C ATOM 3 C MET A 1 76.743 -15.129 5.981 1.00 0.00 C ATOM 4 O MET A 1 76.831 -14.139 6.706 1.00 0.00 O ATOM 5 CB MET A 1 75.513 -16.496 7.676 1.00 0.00 C ATOM 6 CG MET A 1 75.363 -17.894 8.279 1.00 0.00 C ATOM 7 SD MET A 1 75.256 -17.765 10.081 1.00 0.00 S ATOM 8 CE MET A 1 76.423 -19.094 10.473 1.00 0.00 C ATOM 0 H1 MET A 1 77.976 -17.989 7.066 1.00 0.00 H new ATOM 0 H2 MET A 1 78.662 -16.486 6.672 1.00 0.00 H new ATOM 0 H3 MET A 1 77.906 -16.707 8.177 1.00 0.00 H new ATOM 0 HA MET A 1 76.280 -17.218 5.798 1.00 0.00 H new ATOM 0 HB2 MET A 1 75.789 -15.782 8.452 1.00 0.00 H new ATOM 0 HB3 MET A 1 74.561 -16.164 7.261 1.00 0.00 H new ATOM 0 HG2 MET A 1 74.469 -18.378 7.885 1.00 0.00 H new ATOM 0 HG3 MET A 1 76.213 -18.516 7.998 1.00 0.00 H new ATOM 0 HE1 MET A 1 76.513 -19.192 11.555 1.00 0.00 H new ATOM 0 HE2 MET A 1 76.061 -20.032 10.052 1.00 0.00 H new ATOM 0 HE3 MET A 1 77.399 -18.859 10.048 1.00 0.00 H new ATOM 20 N GLN A 2 76.779 -15.062 4.653 1.00 0.00 N ATOM 21 CA GLN A 2 76.926 -13.783 3.967 1.00 0.00 C ATOM 22 C GLN A 2 75.973 -13.699 2.781 1.00 0.00 C ATOM 23 O GLN A 2 75.855 -14.646 2.005 1.00 0.00 O ATOM 24 CB GLN A 2 78.370 -13.597 3.482 1.00 0.00 C ATOM 25 CG GLN A 2 79.183 -14.865 3.754 1.00 0.00 C ATOM 26 CD GLN A 2 78.603 -16.039 2.969 1.00 0.00 C ATOM 27 OE1 GLN A 2 78.276 -17.075 3.548 1.00 0.00 O ATOM 28 NE2 GLN A 2 78.457 -15.937 1.676 1.00 0.00 N ATOM 0 H GLN A 2 76.709 -15.871 4.036 1.00 0.00 H new ATOM 0 HA GLN A 2 76.683 -12.990 4.674 1.00 0.00 H new ATOM 0 HB2 GLN A 2 78.378 -13.372 2.415 1.00 0.00 H new ATOM 0 HB3 GLN A 2 78.826 -12.747 3.990 1.00 0.00 H new ATOM 0 HG2 GLN A 2 80.224 -14.707 3.471 1.00 0.00 H new ATOM 0 HG3 GLN A 2 79.174 -15.090 4.820 1.00 0.00 H new ATOM 0 HE21 GLN A 2 78.729 -15.078 1.198 1.00 0.00 H new ATOM 0 HE22 GLN A 2 78.071 -16.717 1.143 1.00 0.00 H new ATOM 37 N ILE A 3 75.311 -12.552 2.637 1.00 0.00 N ATOM 38 CA ILE A 3 74.363 -12.350 1.545 1.00 0.00 C ATOM 39 C ILE A 3 74.958 -11.389 0.520 1.00 0.00 C ATOM 40 O ILE A 3 76.029 -10.824 0.745 1.00 0.00 O ATOM 41 CB ILE A 3 73.062 -11.749 2.085 1.00 0.00 C ATOM 42 CG1 ILE A 3 73.377 -10.541 2.971 1.00 0.00 C ATOM 43 CG2 ILE A 3 72.310 -12.794 2.910 1.00 0.00 C ATOM 44 CD1 ILE A 3 72.107 -9.714 3.161 1.00 0.00 C ATOM 0 H ILE A 3 75.414 -11.752 3.261 1.00 0.00 H new ATOM 0 HA ILE A 3 74.156 -13.313 1.078 1.00 0.00 H new ATOM 0 HB ILE A 3 72.443 -11.434 1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 3 73.757 -10.873 3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 3 74.157 -9.932 2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 3 71.386 -12.360 3.291 1.00 0.00 H new ATOM 0 HG22 ILE A 3 72.076 -13.653 2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 3 72.932 -13.114 3.746 1.00 0.00 H new ATOM 0 HD11 ILE A 3 72.325 -8.852 3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 3 71.747 -9.372 2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 3 71.341 -10.327 3.637 1.00 0.00 H new ATOM 56 N PHE A 4 74.274 -11.226 -0.611 1.00 0.00 N ATOM 57 CA PHE A 4 74.767 -10.349 -1.670 1.00 0.00 C ATOM 58 C PHE A 4 73.792 -9.212 -1.960 1.00 0.00 C ATOM 59 O PHE A 4 72.580 -9.411 -1.991 1.00 0.00 O ATOM 60 CB PHE A 4 74.978 -11.167 -2.945 1.00 0.00 C ATOM 61 CG PHE A 4 76.105 -12.147 -2.732 1.00 0.00 C ATOM 62 CD1 PHE A 4 77.430 -11.694 -2.672 1.00 0.00 C ATOM 63 CD2 PHE A 4 75.826 -13.511 -2.588 1.00 0.00 C ATOM 64 CE1 PHE A 4 78.473 -12.605 -2.469 1.00 0.00 C ATOM 65 CE2 PHE A 4 76.871 -14.422 -2.385 1.00 0.00 C ATOM 66 CZ PHE A 4 78.193 -13.969 -2.326 1.00 0.00 C ATOM 0 H PHE A 4 73.386 -11.684 -0.816 1.00 0.00 H new ATOM 0 HA PHE A 4 75.708 -9.912 -1.335 1.00 0.00 H new ATOM 0 HB2 PHE A 4 74.063 -11.699 -3.204 1.00 0.00 H new ATOM 0 HB3 PHE A 4 75.209 -10.506 -3.780 1.00 0.00 H new ATOM 0 HD1 PHE A 4 77.646 -10.642 -2.782 1.00 0.00 H new ATOM 0 HD2 PHE A 4 74.805 -13.861 -2.633 1.00 0.00 H new ATOM 0 HE1 PHE A 4 79.494 -12.256 -2.423 1.00 0.00 H new ATOM 0 HE2 PHE A 4 76.656 -15.474 -2.274 1.00 0.00 H new ATOM 0 HZ PHE A 4 78.998 -14.672 -2.170 1.00 0.00 H new ATOM 76 N VAL A 5 74.343 -8.022 -2.191 1.00 0.00 N ATOM 77 CA VAL A 5 73.531 -6.849 -2.508 1.00 0.00 C ATOM 78 C VAL A 5 74.004 -6.240 -3.825 1.00 0.00 C ATOM 79 O VAL A 5 75.179 -5.919 -3.976 1.00 0.00 O ATOM 80 CB VAL A 5 73.639 -5.810 -1.389 1.00 0.00 C ATOM 81 CG1 VAL A 5 73.046 -4.481 -1.868 1.00 0.00 C ATOM 82 CG2 VAL A 5 72.862 -6.303 -0.166 1.00 0.00 C ATOM 0 H VAL A 5 75.347 -7.845 -2.165 1.00 0.00 H new ATOM 0 HA VAL A 5 72.489 -7.155 -2.603 1.00 0.00 H new ATOM 0 HB VAL A 5 74.686 -5.665 -1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 5 73.122 -3.740 -1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 5 73.595 -4.132 -2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 5 71.998 -4.624 -2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 5 72.936 -5.566 0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 5 71.815 -6.444 -0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 5 73.281 -7.250 0.174 1.00 0.00 H new ATOM 92 N LYS A 6 73.092 -6.097 -4.778 1.00 0.00 N ATOM 93 CA LYS A 6 73.447 -5.538 -6.077 1.00 0.00 C ATOM 94 C LYS A 6 73.111 -4.052 -6.142 1.00 0.00 C ATOM 95 O LYS A 6 72.046 -3.624 -5.693 1.00 0.00 O ATOM 96 CB LYS A 6 72.689 -6.276 -7.185 1.00 0.00 C ATOM 97 CG LYS A 6 73.681 -6.854 -8.200 1.00 0.00 C ATOM 98 CD LYS A 6 74.560 -7.917 -7.532 1.00 0.00 C ATOM 99 CE LYS A 6 74.735 -9.102 -8.484 1.00 0.00 C ATOM 100 NZ LYS A 6 75.342 -8.628 -9.759 1.00 0.00 N ATOM 0 H LYS A 6 72.111 -6.357 -4.679 1.00 0.00 H new ATOM 0 HA LYS A 6 74.521 -5.661 -6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 6 72.087 -7.077 -6.755 1.00 0.00 H new ATOM 0 HB3 LYS A 6 72.001 -5.593 -7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 6 73.141 -7.293 -9.039 1.00 0.00 H new ATOM 0 HG3 LYS A 6 74.305 -6.057 -8.605 1.00 0.00 H new ATOM 0 HD2 LYS A 6 75.532 -7.494 -7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 6 74.103 -8.249 -6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 6 75.370 -9.860 -8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 6 73.771 -9.571 -8.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 75.739 -9.438 -10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 74.613 -8.169 -10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 76.099 -7.946 -9.551 1.00 0.00 H new ATOM 114 N THR A 7 74.027 -3.271 -6.710 1.00 0.00 N ATOM 115 CA THR A 7 73.825 -1.833 -6.841 1.00 0.00 C ATOM 116 C THR A 7 73.538 -1.467 -8.294 1.00 0.00 C ATOM 117 O THR A 7 73.526 -2.332 -9.170 1.00 0.00 O ATOM 118 CB THR A 7 75.070 -1.084 -6.359 1.00 0.00 C ATOM 119 OG1 THR A 7 76.187 -1.474 -7.145 1.00 0.00 O ATOM 120 CG2 THR A 7 75.335 -1.420 -4.890 1.00 0.00 C ATOM 0 H THR A 7 74.913 -3.610 -7.085 1.00 0.00 H new ATOM 0 HA THR A 7 72.971 -1.545 -6.228 1.00 0.00 H new ATOM 0 HB THR A 7 74.910 -0.010 -6.459 1.00 0.00 H new ATOM 0 HG1 THR A 7 76.553 -0.690 -7.605 1.00 0.00 H new ATOM 0 HG21 THR A 7 76.222 -0.886 -4.549 1.00 0.00 H new ATOM 0 HG22 THR A 7 74.477 -1.121 -4.288 1.00 0.00 H new ATOM 0 HG23 THR A 7 75.495 -2.493 -4.785 1.00 0.00 H new ATOM 128 N LEU A 8 73.308 -0.181 -8.543 1.00 0.00 N ATOM 129 CA LEU A 8 73.022 0.280 -9.899 1.00 0.00 C ATOM 130 C LEU A 8 74.265 0.154 -10.772 1.00 0.00 C ATOM 131 O LEU A 8 74.172 0.117 -11.999 1.00 0.00 O ATOM 132 CB LEU A 8 72.539 1.744 -9.916 1.00 0.00 C ATOM 133 CG LEU A 8 72.230 2.268 -8.504 1.00 0.00 C ATOM 134 CD1 LEU A 8 71.275 1.319 -7.769 1.00 0.00 C ATOM 135 CD2 LEU A 8 73.532 2.422 -7.710 1.00 0.00 C ATOM 0 H LEU A 8 73.314 0.552 -7.834 1.00 0.00 H new ATOM 0 HA LEU A 8 72.224 -0.350 -10.293 1.00 0.00 H new ATOM 0 HB2 LEU A 8 73.302 2.372 -10.376 1.00 0.00 H new ATOM 0 HB3 LEU A 8 71.645 1.823 -10.535 1.00 0.00 H new ATOM 0 HG LEU A 8 71.746 3.240 -8.593 1.00 0.00 H new ATOM 0 HD11 LEU A 8 71.070 1.709 -6.772 1.00 0.00 H new ATOM 0 HD12 LEU A 8 70.342 1.239 -8.326 1.00 0.00 H new ATOM 0 HD13 LEU A 8 71.734 0.334 -7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 8 73.307 2.794 -6.710 1.00 0.00 H new ATOM 0 HD22 LEU A 8 74.029 1.455 -7.634 1.00 0.00 H new ATOM 0 HD23 LEU A 8 74.188 3.127 -8.220 1.00 0.00 H new ATOM 147 N THR A 9 75.428 0.090 -10.132 1.00 0.00 N ATOM 148 CA THR A 9 76.685 -0.030 -10.862 1.00 0.00 C ATOM 149 C THR A 9 77.012 -1.497 -11.131 1.00 0.00 C ATOM 150 O THR A 9 78.075 -1.819 -11.657 1.00 0.00 O ATOM 151 CB THR A 9 77.819 0.607 -10.058 1.00 0.00 C ATOM 152 OG1 THR A 9 77.666 0.282 -8.685 1.00 0.00 O ATOM 153 CG2 THR A 9 77.781 2.126 -10.232 1.00 0.00 C ATOM 0 H THR A 9 75.526 0.119 -9.117 1.00 0.00 H new ATOM 0 HA THR A 9 76.580 0.488 -11.815 1.00 0.00 H new ATOM 0 HB THR A 9 78.775 0.227 -10.417 1.00 0.00 H new ATOM 0 HG1 THR A 9 78.394 0.689 -8.170 1.00 0.00 H new ATOM 0 HG21 THR A 9 78.590 2.578 -9.658 1.00 0.00 H new ATOM 0 HG22 THR A 9 77.901 2.375 -11.286 1.00 0.00 H new ATOM 0 HG23 THR A 9 76.825 2.509 -9.875 1.00 0.00 H new ATOM 161 N GLY A 10 76.087 -2.378 -10.765 1.00 0.00 N ATOM 162 CA GLY A 10 76.287 -3.809 -10.971 1.00 0.00 C ATOM 163 C GLY A 10 77.238 -4.383 -9.926 1.00 0.00 C ATOM 164 O GLY A 10 77.542 -5.575 -9.938 1.00 0.00 O ATOM 0 H GLY A 10 75.199 -2.130 -10.328 1.00 0.00 H new ATOM 0 HA2 GLY A 10 75.328 -4.325 -10.918 1.00 0.00 H new ATOM 0 HA3 GLY A 10 76.689 -3.984 -11.969 1.00 0.00 H new ATOM 168 N LYS A 11 77.704 -3.526 -9.022 1.00 0.00 N ATOM 169 CA LYS A 11 78.618 -3.961 -7.973 1.00 0.00 C ATOM 170 C LYS A 11 77.880 -4.798 -6.935 1.00 0.00 C ATOM 171 O LYS A 11 76.802 -4.423 -6.472 1.00 0.00 O ATOM 172 CB LYS A 11 79.252 -2.746 -7.294 1.00 0.00 C ATOM 173 CG LYS A 11 80.564 -3.163 -6.624 1.00 0.00 C ATOM 174 CD LYS A 11 80.765 -2.349 -5.344 1.00 0.00 C ATOM 175 CE LYS A 11 82.092 -2.744 -4.693 1.00 0.00 C ATOM 176 NZ LYS A 11 82.960 -1.540 -4.565 1.00 0.00 N ATOM 0 H LYS A 11 77.466 -2.535 -8.995 1.00 0.00 H new ATOM 0 HA LYS A 11 79.399 -4.570 -8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 11 79.439 -1.962 -8.028 1.00 0.00 H new ATOM 0 HB3 LYS A 11 78.568 -2.332 -6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 11 80.543 -4.228 -6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 11 81.400 -3.002 -7.305 1.00 0.00 H new ATOM 0 HD2 LYS A 11 80.763 -1.283 -5.574 1.00 0.00 H new ATOM 0 HD3 LYS A 11 79.941 -2.528 -4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 11 81.912 -3.182 -3.711 1.00 0.00 H new ATOM 0 HE3 LYS A 11 82.592 -3.504 -5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 83.862 -1.808 -4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 83.142 -1.141 -5.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 82.483 -0.829 -3.975 1.00 0.00 H new ATOM 190 N THR A 12 78.463 -5.937 -6.575 1.00 0.00 N ATOM 191 CA THR A 12 77.848 -6.822 -5.593 1.00 0.00 C ATOM 192 C THR A 12 78.517 -6.661 -4.229 1.00 0.00 C ATOM 193 O THR A 12 79.701 -6.960 -4.072 1.00 0.00 O ATOM 194 CB THR A 12 77.977 -8.277 -6.052 1.00 0.00 C ATOM 195 OG1 THR A 12 77.707 -8.359 -7.444 1.00 0.00 O ATOM 196 CG2 THR A 12 76.981 -9.147 -5.282 1.00 0.00 C ATOM 0 H THR A 12 79.354 -6.267 -6.946 1.00 0.00 H new ATOM 0 HA THR A 12 76.795 -6.557 -5.503 1.00 0.00 H new ATOM 0 HB THR A 12 78.989 -8.632 -5.858 1.00 0.00 H new ATOM 0 HG1 THR A 12 77.791 -9.290 -7.739 1.00 0.00 H new ATOM 0 HG21 THR A 12 77.073 -10.183 -5.609 1.00 0.00 H new ATOM 0 HG22 THR A 12 77.192 -9.084 -4.214 1.00 0.00 H new ATOM 0 HG23 THR A 12 75.967 -8.795 -5.473 1.00 0.00 H new ATOM 204 N ILE A 13 77.755 -6.194 -3.242 1.00 0.00 N ATOM 205 CA ILE A 13 78.301 -6.011 -1.900 1.00 0.00 C ATOM 206 C ILE A 13 77.990 -7.224 -1.028 1.00 0.00 C ATOM 207 O ILE A 13 76.829 -7.596 -0.856 1.00 0.00 O ATOM 208 CB ILE A 13 77.713 -4.759 -1.237 1.00 0.00 C ATOM 209 CG1 ILE A 13 77.061 -3.864 -2.297 1.00 0.00 C ATOM 210 CG2 ILE A 13 78.826 -3.983 -0.525 1.00 0.00 C ATOM 211 CD1 ILE A 13 76.827 -2.468 -1.716 1.00 0.00 C ATOM 0 H ILE A 13 76.773 -5.939 -3.343 1.00 0.00 H new ATOM 0 HA ILE A 13 79.381 -5.894 -1.995 1.00 0.00 H new ATOM 0 HB ILE A 13 76.959 -5.061 -0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 13 77.701 -3.800 -3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.115 -4.297 -2.621 1.00 0.00 H new ATOM 0 HG21 ILE A 13 78.406 -3.094 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 13 79.281 -4.616 0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 13 79.584 -3.686 -1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 13 76.363 -1.833 -2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.170 -2.540 -0.849 1.00 0.00 H new ATOM 0 HD13 ILE A 13 77.781 -2.035 -1.414 1.00 0.00 H new ATOM 223 N THR A 14 79.034 -7.830 -0.471 1.00 0.00 N ATOM 224 CA THR A 14 78.857 -8.992 0.392 1.00 0.00 C ATOM 225 C THR A 14 78.977 -8.580 1.855 1.00 0.00 C ATOM 226 O THR A 14 79.935 -7.911 2.242 1.00 0.00 O ATOM 227 CB THR A 14 79.913 -10.052 0.069 1.00 0.00 C ATOM 228 OG1 THR A 14 80.075 -10.141 -1.340 1.00 0.00 O ATOM 229 CG2 THR A 14 79.466 -11.405 0.621 1.00 0.00 C ATOM 0 H THR A 14 80.003 -7.539 -0.600 1.00 0.00 H new ATOM 0 HA THR A 14 77.865 -9.409 0.217 1.00 0.00 H new ATOM 0 HB THR A 14 80.862 -9.773 0.527 1.00 0.00 H new ATOM 0 HG1 THR A 14 79.293 -10.583 -1.732 1.00 0.00 H new ATOM 0 HG21 THR A 14 80.219 -12.159 0.390 1.00 0.00 H new ATOM 0 HG22 THR A 14 79.343 -11.334 1.702 1.00 0.00 H new ATOM 0 HG23 THR A 14 78.517 -11.688 0.165 1.00 0.00 H new ATOM 237 N LEU A 15 77.998 -8.974 2.663 1.00 0.00 N ATOM 238 CA LEU A 15 78.006 -8.627 4.080 1.00 0.00 C ATOM 239 C LEU A 15 77.523 -9.801 4.924 1.00 0.00 C ATOM 240 O LEU A 15 76.803 -10.670 4.437 1.00 0.00 O ATOM 241 CB LEU A 15 77.087 -7.423 4.355 1.00 0.00 C ATOM 242 CG LEU A 15 76.963 -6.517 3.121 1.00 0.00 C ATOM 243 CD1 LEU A 15 75.877 -5.471 3.376 1.00 0.00 C ATOM 244 CD2 LEU A 15 78.296 -5.808 2.864 1.00 0.00 C ATOM 0 H LEU A 15 77.196 -9.529 2.365 1.00 0.00 H new ATOM 0 HA LEU A 15 79.032 -8.375 4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 15 76.099 -7.778 4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 15 77.481 -6.847 5.193 1.00 0.00 H new ATOM 0 HG LEU A 15 76.702 -7.121 2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 15 75.783 -4.824 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 15 74.926 -5.971 3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 15 76.146 -4.871 4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 15 78.204 -5.166 1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 15 78.559 -5.202 3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 15 79.075 -6.550 2.690 1.00 0.00 H new ATOM 256 N GLU A 16 77.897 -9.798 6.200 1.00 0.00 N ATOM 257 CA GLU A 16 77.471 -10.848 7.117 1.00 0.00 C ATOM 258 C GLU A 16 76.226 -10.376 7.851 1.00 0.00 C ATOM 259 O GLU A 16 76.208 -9.275 8.401 1.00 0.00 O ATOM 260 CB GLU A 16 78.582 -11.161 8.121 1.00 0.00 C ATOM 261 CG GLU A 16 79.826 -11.646 7.372 1.00 0.00 C ATOM 262 CD GLU A 16 81.011 -11.732 8.329 1.00 0.00 C ATOM 263 OE1 GLU A 16 81.941 -10.963 8.159 1.00 0.00 O ATOM 264 OE2 GLU A 16 80.967 -12.565 9.219 1.00 0.00 O ATOM 0 H GLU A 16 78.491 -9.083 6.620 1.00 0.00 H new ATOM 0 HA GLU A 16 77.251 -11.757 6.556 1.00 0.00 H new ATOM 0 HB2 GLU A 16 78.820 -10.272 8.705 1.00 0.00 H new ATOM 0 HB3 GLU A 16 78.247 -11.924 8.824 1.00 0.00 H new ATOM 0 HG2 GLU A 16 79.635 -12.623 6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 16 80.057 -10.964 6.554 1.00 0.00 H new ATOM 271 N VAL A 17 75.170 -11.185 7.825 1.00 0.00 N ATOM 272 CA VAL A 17 73.920 -10.788 8.462 1.00 0.00 C ATOM 273 C VAL A 17 73.252 -11.937 9.216 1.00 0.00 C ATOM 274 O VAL A 17 73.353 -13.099 8.827 1.00 0.00 O ATOM 275 CB VAL A 17 72.963 -10.269 7.388 1.00 0.00 C ATOM 276 CG1 VAL A 17 73.620 -9.119 6.624 1.00 0.00 C ATOM 277 CG2 VAL A 17 72.629 -11.402 6.413 1.00 0.00 C ATOM 0 H VAL A 17 75.154 -12.102 7.379 1.00 0.00 H new ATOM 0 HA VAL A 17 74.153 -10.013 9.193 1.00 0.00 H new ATOM 0 HB VAL A 17 72.049 -9.912 7.862 1.00 0.00 H new ATOM 0 HG11 VAL A 17 72.935 -8.752 5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 17 73.858 -8.311 7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 17 74.536 -9.473 6.151 1.00 0.00 H new ATOM 0 HG21 VAL A 17 71.947 -11.033 5.647 1.00 0.00 H new ATOM 0 HG22 VAL A 17 73.545 -11.759 5.942 1.00 0.00 H new ATOM 0 HG23 VAL A 17 72.157 -12.221 6.955 1.00 0.00 H new ATOM 287 N GLU A 18 72.545 -11.577 10.288 1.00 0.00 N ATOM 288 CA GLU A 18 71.820 -12.548 11.102 1.00 0.00 C ATOM 289 C GLU A 18 70.319 -12.232 11.041 1.00 0.00 C ATOM 290 O GLU A 18 69.944 -11.069 10.957 1.00 0.00 O ATOM 291 CB GLU A 18 72.298 -12.479 12.555 1.00 0.00 C ATOM 292 CG GLU A 18 73.809 -12.709 12.613 1.00 0.00 C ATOM 293 CD GLU A 18 74.283 -12.659 14.062 1.00 0.00 C ATOM 294 OE1 GLU A 18 73.438 -12.695 14.939 1.00 0.00 O ATOM 295 OE2 GLU A 18 75.482 -12.580 14.272 1.00 0.00 O ATOM 0 H GLU A 18 72.460 -10.614 10.612 1.00 0.00 H new ATOM 0 HA GLU A 18 72.005 -13.551 10.717 1.00 0.00 H new ATOM 0 HB2 GLU A 18 72.052 -11.507 12.983 1.00 0.00 H new ATOM 0 HB3 GLU A 18 71.783 -13.231 13.153 1.00 0.00 H new ATOM 0 HG2 GLU A 18 74.056 -13.675 12.173 1.00 0.00 H new ATOM 0 HG3 GLU A 18 74.325 -11.949 12.025 1.00 0.00 H new ATOM 302 N PRO A 19 69.461 -13.220 11.065 1.00 0.00 N ATOM 303 CA PRO A 19 67.986 -13.022 10.978 1.00 0.00 C ATOM 304 C PRO A 19 67.483 -11.684 11.542 1.00 0.00 C ATOM 305 O PRO A 19 66.581 -11.088 10.969 1.00 0.00 O ATOM 306 CB PRO A 19 67.448 -14.200 11.783 1.00 0.00 C ATOM 307 CG PRO A 19 68.442 -15.304 11.579 1.00 0.00 C ATOM 308 CD PRO A 19 69.780 -14.652 11.195 1.00 0.00 C ATOM 0 HA PRO A 19 67.650 -12.984 9.942 1.00 0.00 H new ATOM 0 HB2 PRO A 19 67.354 -13.945 12.839 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.457 -14.494 11.437 1.00 0.00 H new ATOM 0 HG2 PRO A 19 68.550 -15.896 12.488 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.107 -15.983 10.795 1.00 0.00 H new ATOM 0 HD2 PRO A 19 70.540 -14.823 11.958 1.00 0.00 H new ATOM 0 HD3 PRO A 19 70.168 -15.060 10.262 1.00 0.00 H new ATOM 316 N SER A 20 68.044 -11.213 12.657 1.00 0.00 N ATOM 317 CA SER A 20 67.578 -9.946 13.242 1.00 0.00 C ATOM 318 C SER A 20 68.163 -8.749 12.490 1.00 0.00 C ATOM 319 O SER A 20 68.126 -7.609 12.953 1.00 0.00 O ATOM 320 CB SER A 20 67.962 -9.870 14.719 1.00 0.00 C ATOM 321 OG SER A 20 69.300 -10.324 14.880 1.00 0.00 O ATOM 0 H SER A 20 68.801 -11.671 13.164 1.00 0.00 H new ATOM 0 HA SER A 20 66.492 -9.913 13.153 1.00 0.00 H new ATOM 0 HB2 SER A 20 67.867 -8.846 15.079 1.00 0.00 H new ATOM 0 HB3 SER A 20 67.284 -10.481 15.315 1.00 0.00 H new ATOM 0 HG SER A 20 69.550 -10.275 15.826 1.00 0.00 H new ATOM 327 N ASP A 21 68.666 -9.050 11.315 1.00 0.00 N ATOM 328 CA ASP A 21 69.249 -8.080 10.394 1.00 0.00 C ATOM 329 C ASP A 21 68.157 -7.398 9.607 1.00 0.00 C ATOM 330 O ASP A 21 68.166 -7.387 8.376 1.00 0.00 O ATOM 331 CB ASP A 21 70.260 -8.709 9.464 1.00 0.00 C ATOM 332 CG ASP A 21 71.614 -8.791 10.160 1.00 0.00 C ATOM 333 OD1 ASP A 21 72.559 -8.222 9.639 1.00 0.00 O ATOM 334 OD2 ASP A 21 71.683 -9.401 11.214 1.00 0.00 O ATOM 0 H ASP A 21 68.685 -10.004 10.955 1.00 0.00 H new ATOM 0 HA ASP A 21 69.783 -7.340 10.989 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.929 -9.706 9.171 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.344 -8.120 8.551 1.00 0.00 H new ATOM 339 N THR A 22 67.152 -6.951 10.314 1.00 0.00 N ATOM 340 CA THR A 22 65.981 -6.408 9.654 1.00 0.00 C ATOM 341 C THR A 22 66.330 -5.155 8.879 1.00 0.00 C ATOM 342 O THR A 22 67.234 -4.406 9.232 1.00 0.00 O ATOM 343 CB THR A 22 64.945 -6.002 10.704 1.00 0.00 C ATOM 344 OG1 THR A 22 65.031 -4.601 10.923 1.00 0.00 O ATOM 345 CG2 THR A 22 65.230 -6.733 12.009 1.00 0.00 C ATOM 0 H THR A 22 67.114 -6.949 11.333 1.00 0.00 H new ATOM 0 HA THR A 22 65.596 -7.175 8.982 1.00 0.00 H new ATOM 0 HB THR A 22 63.946 -6.262 10.353 1.00 0.00 H new ATOM 0 HG1 THR A 22 64.369 -4.334 11.594 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.492 -6.444 12.757 1.00 0.00 H new ATOM 0 HG22 THR A 22 65.176 -7.809 11.843 1.00 0.00 H new ATOM 0 HG23 THR A 22 66.227 -6.471 12.363 1.00 0.00 H new ATOM 353 N ILE A 23 65.616 -5.005 7.769 1.00 0.00 N ATOM 354 CA ILE A 23 65.813 -3.909 6.836 1.00 0.00 C ATOM 355 C ILE A 23 66.302 -2.647 7.543 1.00 0.00 C ATOM 356 O ILE A 23 67.050 -1.857 6.967 1.00 0.00 O ATOM 357 CB ILE A 23 64.503 -3.652 6.087 1.00 0.00 C ATOM 358 CG1 ILE A 23 64.294 -4.743 5.023 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.568 -2.292 5.393 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.203 -6.132 5.675 1.00 0.00 C ATOM 0 H ILE A 23 64.876 -5.650 7.491 1.00 0.00 H new ATOM 0 HA ILE A 23 66.590 -4.187 6.123 1.00 0.00 H new ATOM 0 HB ILE A 23 63.677 -3.666 6.798 1.00 0.00 H new ATOM 0 HG12 ILE A 23 63.382 -4.540 4.462 1.00 0.00 H new ATOM 0 HG13 ILE A 23 65.118 -4.724 4.310 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.635 -2.110 4.860 1.00 0.00 H new ATOM 0 HG22 ILE A 23 64.719 -1.510 6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 23 65.397 -2.284 4.686 1.00 0.00 H new ATOM 0 HD11 ILE A 23 64.055 -6.887 4.903 1.00 0.00 H new ATOM 0 HD12 ILE A 23 65.126 -6.341 6.216 1.00 0.00 H new ATOM 0 HD13 ILE A 23 63.363 -6.154 6.369 1.00 0.00 H new ATOM 372 N GLU A 24 65.905 -2.476 8.797 1.00 0.00 N ATOM 373 CA GLU A 24 66.343 -1.320 9.569 1.00 0.00 C ATOM 374 C GLU A 24 67.833 -1.452 9.887 1.00 0.00 C ATOM 375 O GLU A 24 68.613 -0.529 9.654 1.00 0.00 O ATOM 376 CB GLU A 24 65.534 -1.221 10.863 1.00 0.00 C ATOM 377 CG GLU A 24 65.915 0.054 11.616 1.00 0.00 C ATOM 378 CD GLU A 24 65.048 0.193 12.864 1.00 0.00 C ATOM 379 OE1 GLU A 24 63.920 -0.269 12.828 1.00 0.00 O ATOM 380 OE2 GLU A 24 65.527 0.752 13.837 1.00 0.00 O ATOM 0 H GLU A 24 65.287 -3.115 9.297 1.00 0.00 H new ATOM 0 HA GLU A 24 66.182 -0.414 8.986 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.468 -1.216 10.637 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.723 -2.094 11.488 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.968 0.022 11.895 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.782 0.922 10.971 1.00 0.00 H new ATOM 387 N ASN A 25 68.216 -2.617 10.406 1.00 0.00 N ATOM 388 CA ASN A 25 69.611 -2.886 10.739 1.00 0.00 C ATOM 389 C ASN A 25 70.446 -3.050 9.471 1.00 0.00 C ATOM 390 O ASN A 25 71.553 -2.521 9.373 1.00 0.00 O ATOM 391 CB ASN A 25 69.714 -4.166 11.576 1.00 0.00 C ATOM 392 CG ASN A 25 70.564 -3.902 12.814 1.00 0.00 C ATOM 393 OD1 ASN A 25 71.792 -3.871 12.728 1.00 0.00 O ATOM 394 ND2 ASN A 25 69.982 -3.681 13.959 1.00 0.00 N ATOM 0 H ASN A 25 67.579 -3.389 10.604 1.00 0.00 H new ATOM 0 HA ASN A 25 69.993 -2.040 11.311 1.00 0.00 H new ATOM 0 HB2 ASN A 25 68.719 -4.501 11.870 1.00 0.00 H new ATOM 0 HB3 ASN A 25 70.157 -4.966 10.982 1.00 0.00 H new ATOM 0 HD21 ASN A 25 70.544 -3.482 14.787 1.00 0.00 H new ATOM 0 HD22 ASN A 25 68.965 -3.707 14.027 1.00 0.00 H new ATOM 401 N ALA A 26 69.907 -3.790 8.507 1.00 0.00 N ATOM 402 CA ALA A 26 70.610 -4.025 7.250 1.00 0.00 C ATOM 403 C ALA A 26 70.930 -2.708 6.554 1.00 0.00 C ATOM 404 O ALA A 26 72.018 -2.535 6.001 1.00 0.00 O ATOM 405 CB ALA A 26 69.754 -4.896 6.329 1.00 0.00 C ATOM 0 H ALA A 26 68.991 -4.235 8.571 1.00 0.00 H new ATOM 0 HA ALA A 26 71.546 -4.538 7.472 1.00 0.00 H new ATOM 0 HB1 ALA A 26 70.285 -5.067 5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 26 69.555 -5.852 6.813 1.00 0.00 H new ATOM 0 HB3 ALA A 26 68.810 -4.390 6.124 1.00 0.00 H new ATOM 411 N LYS A 27 69.979 -1.782 6.582 1.00 0.00 N ATOM 412 CA LYS A 27 70.173 -0.483 5.949 1.00 0.00 C ATOM 413 C LYS A 27 71.360 0.243 6.576 1.00 0.00 C ATOM 414 O LYS A 27 72.062 1.000 5.906 1.00 0.00 O ATOM 415 CB LYS A 27 68.912 0.369 6.108 1.00 0.00 C ATOM 416 CG LYS A 27 67.977 0.135 4.919 1.00 0.00 C ATOM 417 CD LYS A 27 66.706 0.968 5.099 1.00 0.00 C ATOM 418 CE LYS A 27 65.709 0.627 3.990 1.00 0.00 C ATOM 419 NZ LYS A 27 66.367 -0.248 2.980 1.00 0.00 N ATOM 0 H LYS A 27 69.072 -1.905 7.033 1.00 0.00 H new ATOM 0 HA LYS A 27 70.373 -0.641 4.889 1.00 0.00 H new ATOM 0 HB2 LYS A 27 68.404 0.114 7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 27 69.180 1.424 6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 27 68.477 0.410 3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 27 67.724 -0.923 4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.263 0.768 6.075 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.948 2.030 5.071 1.00 0.00 H new ATOM 0 HE2 LYS A 27 64.839 0.123 4.411 1.00 0.00 H new ATOM 0 HE3 LYS A 27 65.350 1.541 3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 65.699 -0.452 2.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 67.204 0.235 2.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 66.658 -1.139 3.430 1.00 0.00 H new ATOM 433 N ALA A 28 71.575 0.007 7.867 1.00 0.00 N ATOM 434 CA ALA A 28 72.677 0.643 8.578 1.00 0.00 C ATOM 435 C ALA A 28 74.018 0.113 8.081 1.00 0.00 C ATOM 436 O ALA A 28 74.975 0.872 7.922 1.00 0.00 O ATOM 437 CB ALA A 28 72.548 0.380 10.080 1.00 0.00 C ATOM 0 H ALA A 28 71.004 -0.616 8.438 1.00 0.00 H new ATOM 0 HA ALA A 28 72.633 1.716 8.390 1.00 0.00 H new ATOM 0 HB1 ALA A 28 73.375 0.858 10.605 1.00 0.00 H new ATOM 0 HB2 ALA A 28 71.604 0.788 10.441 1.00 0.00 H new ATOM 0 HB3 ALA A 28 72.573 -0.694 10.265 1.00 0.00 H new ATOM 443 N LYS A 29 74.083 -1.191 7.838 1.00 0.00 N ATOM 444 CA LYS A 29 75.314 -1.810 7.362 1.00 0.00 C ATOM 445 C LYS A 29 75.719 -1.236 6.009 1.00 0.00 C ATOM 446 O LYS A 29 76.890 -0.943 5.772 1.00 0.00 O ATOM 447 CB LYS A 29 75.127 -3.323 7.240 1.00 0.00 C ATOM 448 CG LYS A 29 75.324 -3.974 8.610 1.00 0.00 C ATOM 449 CD LYS A 29 75.001 -5.467 8.518 1.00 0.00 C ATOM 450 CE LYS A 29 75.560 -6.186 9.746 1.00 0.00 C ATOM 451 NZ LYS A 29 76.887 -6.778 9.416 1.00 0.00 N ATOM 0 H LYS A 29 73.303 -1.837 7.962 1.00 0.00 H new ATOM 0 HA LYS A 29 76.103 -1.598 8.083 1.00 0.00 H new ATOM 0 HB2 LYS A 29 74.131 -3.547 6.859 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.841 -3.732 6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.351 -3.834 8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 29 74.679 -3.496 9.347 1.00 0.00 H new ATOM 0 HD2 LYS A 29 73.923 -5.614 8.457 1.00 0.00 H new ATOM 0 HD3 LYS A 29 75.432 -5.888 7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 29 75.659 -5.487 10.576 1.00 0.00 H new ATOM 0 HE3 LYS A 29 74.871 -6.967 10.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 77.517 -6.698 10.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 76.768 -7.781 9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 77.303 -6.269 8.610 1.00 0.00 H new ATOM 465 N ILE A 30 74.742 -1.074 5.122 1.00 0.00 N ATOM 466 CA ILE A 30 75.010 -0.532 3.796 1.00 0.00 C ATOM 467 C ILE A 30 75.400 0.938 3.889 1.00 0.00 C ATOM 468 O ILE A 30 76.283 1.404 3.168 1.00 0.00 O ATOM 469 CB ILE A 30 73.777 -0.685 2.909 1.00 0.00 C ATOM 470 CG1 ILE A 30 73.746 -2.103 2.338 1.00 0.00 C ATOM 471 CG2 ILE A 30 73.839 0.327 1.761 1.00 0.00 C ATOM 472 CD1 ILE A 30 72.365 -2.384 1.754 1.00 0.00 C ATOM 0 H ILE A 30 73.765 -1.309 5.296 1.00 0.00 H new ATOM 0 HA ILE A 30 75.839 -1.087 3.357 1.00 0.00 H new ATOM 0 HB ILE A 30 72.878 -0.504 3.498 1.00 0.00 H new ATOM 0 HG12 ILE A 30 74.508 -2.213 1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 30 73.977 -2.827 3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 30 72.958 0.215 1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 30 73.868 1.338 2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 30 74.736 0.149 1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 30 72.341 -3.395 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 30 71.613 -2.291 2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.153 -1.668 0.960 1.00 0.00 H new ATOM 484 N GLN A 31 74.735 1.664 4.781 1.00 0.00 N ATOM 485 CA GLN A 31 75.020 3.081 4.962 1.00 0.00 C ATOM 486 C GLN A 31 76.482 3.289 5.343 1.00 0.00 C ATOM 487 O GLN A 31 77.158 4.157 4.799 1.00 0.00 O ATOM 488 CB GLN A 31 74.118 3.662 6.053 1.00 0.00 C ATOM 489 CG GLN A 31 74.270 5.184 6.088 1.00 0.00 C ATOM 490 CD GLN A 31 74.600 5.640 7.505 1.00 0.00 C ATOM 491 OE1 GLN A 31 75.631 6.274 7.730 1.00 0.00 O ATOM 492 NE2 GLN A 31 73.779 5.357 8.480 1.00 0.00 N ATOM 0 H GLN A 31 74.000 1.297 5.386 1.00 0.00 H new ATOM 0 HA GLN A 31 74.825 3.594 4.020 1.00 0.00 H new ATOM 0 HB2 GLN A 31 73.079 3.395 5.861 1.00 0.00 H new ATOM 0 HB3 GLN A 31 74.382 3.238 7.022 1.00 0.00 H new ATOM 0 HG2 GLN A 31 75.059 5.495 5.403 1.00 0.00 H new ATOM 0 HG3 GLN A 31 73.349 5.658 5.749 1.00 0.00 H new ATOM 0 HE21 GLN A 31 72.925 4.832 8.292 1.00 0.00 H new ATOM 0 HE22 GLN A 31 73.991 5.661 9.430 1.00 0.00 H new ATOM 501 N ASP A 32 76.962 2.486 6.282 1.00 0.00 N ATOM 502 CA ASP A 32 78.345 2.593 6.728 1.00 0.00 C ATOM 503 C ASP A 32 79.309 2.226 5.603 1.00 0.00 C ATOM 504 O ASP A 32 80.502 2.520 5.676 1.00 0.00 O ATOM 505 CB ASP A 32 78.582 1.669 7.925 1.00 0.00 C ATOM 506 CG ASP A 32 79.601 2.294 8.871 1.00 0.00 C ATOM 507 OD1 ASP A 32 79.283 2.443 10.039 1.00 0.00 O ATOM 508 OD2 ASP A 32 80.684 2.617 8.412 1.00 0.00 O ATOM 0 H ASP A 32 76.419 1.758 6.747 1.00 0.00 H new ATOM 0 HA ASP A 32 78.528 3.626 7.022 1.00 0.00 H new ATOM 0 HB2 ASP A 32 77.644 1.494 8.452 1.00 0.00 H new ATOM 0 HB3 ASP A 32 78.940 0.699 7.581 1.00 0.00 H new ATOM 513 N LYS A 33 78.791 1.568 4.571 1.00 0.00 N ATOM 514 CA LYS A 33 79.624 1.151 3.448 1.00 0.00 C ATOM 515 C LYS A 33 79.577 2.160 2.300 1.00 0.00 C ATOM 516 O LYS A 33 80.606 2.462 1.694 1.00 0.00 O ATOM 517 CB LYS A 33 79.157 -0.214 2.935 1.00 0.00 C ATOM 518 CG LYS A 33 79.473 -1.290 3.977 1.00 0.00 C ATOM 519 CD LYS A 33 80.588 -2.196 3.452 1.00 0.00 C ATOM 520 CE LYS A 33 80.932 -3.247 4.509 1.00 0.00 C ATOM 521 NZ LYS A 33 82.016 -2.729 5.391 1.00 0.00 N ATOM 0 H LYS A 33 77.807 1.314 4.488 1.00 0.00 H new ATOM 0 HA LYS A 33 80.652 1.090 3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 33 78.086 -0.191 2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 33 79.653 -0.449 1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 33 79.779 -0.825 4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 33 78.581 -1.879 4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 33 80.271 -2.683 2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 33 81.471 -1.603 3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 33 80.049 -3.485 5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 33 81.251 -4.171 4.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 82.250 -3.443 6.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 82.860 -2.523 4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 81.695 -1.858 5.860 1.00 0.00 H new ATOM 535 N GLU A 34 78.384 2.663 1.992 1.00 0.00 N ATOM 536 CA GLU A 34 78.231 3.618 0.894 1.00 0.00 C ATOM 537 C GLU A 34 78.025 5.043 1.406 1.00 0.00 C ATOM 538 O GLU A 34 78.303 6.008 0.695 1.00 0.00 O ATOM 539 CB GLU A 34 77.039 3.216 0.023 1.00 0.00 C ATOM 540 CG GLU A 34 77.350 1.899 -0.690 1.00 0.00 C ATOM 541 CD GLU A 34 76.117 1.407 -1.441 1.00 0.00 C ATOM 542 OE1 GLU A 34 75.858 0.216 -1.393 1.00 0.00 O ATOM 543 OE2 GLU A 34 75.454 2.226 -2.052 1.00 0.00 O ATOM 0 H GLU A 34 77.519 2.430 2.479 1.00 0.00 H new ATOM 0 HA GLU A 34 79.150 3.599 0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 34 76.146 3.107 0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 34 76.829 3.997 -0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 34 78.177 2.039 -1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 34 77.667 1.150 0.035 1.00 0.00 H new ATOM 550 N GLY A 35 77.531 5.173 2.631 1.00 0.00 N ATOM 551 CA GLY A 35 77.293 6.495 3.204 1.00 0.00 C ATOM 552 C GLY A 35 75.944 7.041 2.746 1.00 0.00 C ATOM 553 O GLY A 35 75.771 8.250 2.591 1.00 0.00 O ATOM 0 H GLY A 35 77.290 4.392 3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 35 77.318 6.436 4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 35 78.089 7.177 2.904 1.00 0.00 H new ATOM 557 N ILE A 36 74.994 6.137 2.526 1.00 0.00 N ATOM 558 CA ILE A 36 73.661 6.529 2.079 1.00 0.00 C ATOM 559 C ILE A 36 72.671 6.495 3.253 1.00 0.00 C ATOM 560 O ILE A 36 72.267 5.411 3.679 1.00 0.00 O ATOM 561 CB ILE A 36 73.184 5.565 0.991 1.00 0.00 C ATOM 562 CG1 ILE A 36 74.210 5.524 -0.145 1.00 0.00 C ATOM 563 CG2 ILE A 36 71.838 6.043 0.443 1.00 0.00 C ATOM 564 CD1 ILE A 36 73.853 4.398 -1.116 1.00 0.00 C ATOM 0 H ILE A 36 75.121 5.132 2.649 1.00 0.00 H new ATOM 0 HA ILE A 36 73.708 7.543 1.683 1.00 0.00 H new ATOM 0 HB ILE A 36 73.073 4.567 1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 36 74.226 6.479 -0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 36 75.210 5.366 0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 36 71.497 5.357 -0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.106 6.072 1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 36 71.951 7.041 0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 36 74.584 4.369 -1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 36 73.860 3.445 -0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 36 72.861 4.576 -1.530 1.00 0.00 H new ATOM 576 N PRO A 37 72.267 7.628 3.790 1.00 0.00 N ATOM 577 CA PRO A 37 71.309 7.658 4.934 1.00 0.00 C ATOM 578 C PRO A 37 70.116 6.716 4.704 1.00 0.00 C ATOM 579 O PRO A 37 69.593 6.650 3.591 1.00 0.00 O ATOM 580 CB PRO A 37 70.850 9.116 4.980 1.00 0.00 C ATOM 581 CG PRO A 37 71.986 9.898 4.411 1.00 0.00 C ATOM 582 CD PRO A 37 72.664 8.991 3.384 1.00 0.00 C ATOM 0 HA PRO A 37 71.765 7.321 5.865 1.00 0.00 H new ATOM 0 HB2 PRO A 37 69.940 9.262 4.398 1.00 0.00 H new ATOM 0 HB3 PRO A 37 70.629 9.428 6.001 1.00 0.00 H new ATOM 0 HG2 PRO A 37 71.630 10.816 3.943 1.00 0.00 H new ATOM 0 HG3 PRO A 37 72.687 10.190 5.193 1.00 0.00 H new ATOM 0 HD2 PRO A 37 72.332 9.218 2.371 1.00 0.00 H new ATOM 0 HD3 PRO A 37 73.747 9.112 3.399 1.00 0.00 H new ATOM 590 N PRO A 38 69.670 5.990 5.708 1.00 0.00 N ATOM 591 CA PRO A 38 68.516 5.056 5.560 1.00 0.00 C ATOM 592 C PRO A 38 67.378 5.656 4.733 1.00 0.00 C ATOM 593 O PRO A 38 66.495 4.936 4.265 1.00 0.00 O ATOM 594 CB PRO A 38 68.063 4.814 7.000 1.00 0.00 C ATOM 595 CG PRO A 38 69.279 5.010 7.842 1.00 0.00 C ATOM 596 CD PRO A 38 70.205 5.966 7.085 1.00 0.00 C ATOM 0 HA PRO A 38 68.798 4.146 5.031 1.00 0.00 H new ATOM 0 HB2 PRO A 38 67.273 5.509 7.284 1.00 0.00 H new ATOM 0 HB3 PRO A 38 67.661 3.808 7.121 1.00 0.00 H new ATOM 0 HG2 PRO A 38 69.011 5.423 8.814 1.00 0.00 H new ATOM 0 HG3 PRO A 38 69.777 4.058 8.027 1.00 0.00 H new ATOM 0 HD2 PRO A 38 70.198 6.961 7.531 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.237 5.616 7.103 1.00 0.00 H new ATOM 604 N ASP A 39 67.398 6.974 4.567 1.00 0.00 N ATOM 605 CA ASP A 39 66.354 7.655 3.805 1.00 0.00 C ATOM 606 C ASP A 39 66.535 7.439 2.304 1.00 0.00 C ATOM 607 O ASP A 39 65.562 7.419 1.551 1.00 0.00 O ATOM 608 CB ASP A 39 66.381 9.154 4.111 1.00 0.00 C ATOM 609 CG ASP A 39 66.118 9.952 2.838 1.00 0.00 C ATOM 610 OD1 ASP A 39 66.906 10.835 2.543 1.00 0.00 O ATOM 611 OD2 ASP A 39 65.131 9.670 2.180 1.00 0.00 O ATOM 0 H ASP A 39 68.118 7.589 4.946 1.00 0.00 H new ATOM 0 HA ASP A 39 65.393 7.235 4.100 1.00 0.00 H new ATOM 0 HB2 ASP A 39 65.628 9.394 4.862 1.00 0.00 H new ATOM 0 HB3 ASP A 39 67.349 9.431 4.530 1.00 0.00 H new ATOM 616 N GLN A 40 67.782 7.283 1.874 1.00 0.00 N ATOM 617 CA GLN A 40 68.075 7.075 0.460 1.00 0.00 C ATOM 618 C GLN A 40 68.377 5.605 0.187 1.00 0.00 C ATOM 619 O GLN A 40 68.834 5.249 -0.896 1.00 0.00 O ATOM 620 CB GLN A 40 69.273 7.930 0.043 1.00 0.00 C ATOM 621 CG GLN A 40 68.787 9.313 -0.400 1.00 0.00 C ATOM 622 CD GLN A 40 69.884 10.349 -0.175 1.00 0.00 C ATOM 623 OE1 GLN A 40 69.857 11.078 0.816 1.00 0.00 O ATOM 624 NE2 GLN A 40 70.849 10.461 -1.045 1.00 0.00 N ATOM 0 H GLN A 40 68.602 7.296 2.480 1.00 0.00 H new ATOM 0 HA GLN A 40 67.200 7.369 -0.120 1.00 0.00 H new ATOM 0 HB2 GLN A 40 69.970 8.028 0.875 1.00 0.00 H new ATOM 0 HB3 GLN A 40 69.813 7.445 -0.770 1.00 0.00 H new ATOM 0 HG2 GLN A 40 68.509 9.289 -1.454 1.00 0.00 H new ATOM 0 HG3 GLN A 40 67.894 9.590 0.160 1.00 0.00 H new ATOM 0 HE21 GLN A 40 70.869 9.855 -1.865 1.00 0.00 H new ATOM 0 HE22 GLN A 40 71.584 11.154 -0.905 1.00 0.00 H new ATOM 633 N GLN A 41 68.121 4.760 1.179 1.00 0.00 N ATOM 634 CA GLN A 41 68.373 3.330 1.035 1.00 0.00 C ATOM 635 C GLN A 41 67.071 2.576 0.790 1.00 0.00 C ATOM 636 O GLN A 41 66.136 2.657 1.586 1.00 0.00 O ATOM 637 CB GLN A 41 69.043 2.791 2.300 1.00 0.00 C ATOM 638 CG GLN A 41 70.378 3.505 2.523 1.00 0.00 C ATOM 639 CD GLN A 41 71.299 2.633 3.369 1.00 0.00 C ATOM 640 OE1 GLN A 41 70.871 1.602 3.889 1.00 0.00 O ATOM 641 NE2 GLN A 41 72.544 2.981 3.534 1.00 0.00 N ATOM 0 H GLN A 41 67.742 5.036 2.085 1.00 0.00 H new ATOM 0 HA GLN A 41 69.032 3.181 0.179 1.00 0.00 H new ATOM 0 HB2 GLN A 41 68.391 2.942 3.160 1.00 0.00 H new ATOM 0 HB3 GLN A 41 69.205 1.717 2.207 1.00 0.00 H new ATOM 0 HG2 GLN A 41 70.849 3.722 1.564 1.00 0.00 H new ATOM 0 HG3 GLN A 41 70.211 4.461 3.020 1.00 0.00 H new ATOM 0 HE21 GLN A 41 72.896 3.835 3.102 1.00 0.00 H new ATOM 0 HE22 GLN A 41 73.166 2.399 4.095 1.00 0.00 H new ATOM 650 N ARG A 42 67.021 1.837 -0.317 1.00 0.00 N ATOM 651 CA ARG A 42 65.832 1.064 -0.661 1.00 0.00 C ATOM 652 C ARG A 42 66.215 -0.360 -1.045 1.00 0.00 C ATOM 653 O ARG A 42 66.904 -0.580 -2.040 1.00 0.00 O ATOM 654 CB ARG A 42 65.093 1.726 -1.824 1.00 0.00 C ATOM 655 CG ARG A 42 63.624 1.925 -1.449 1.00 0.00 C ATOM 656 CD ARG A 42 62.842 2.373 -2.684 1.00 0.00 C ATOM 657 NE ARG A 42 61.465 2.689 -2.325 1.00 0.00 N ATOM 658 CZ ARG A 42 60.522 2.805 -3.254 1.00 0.00 C ATOM 659 NH1 ARG A 42 59.296 3.088 -2.909 1.00 0.00 N ATOM 660 NH2 ARG A 42 60.824 2.634 -4.513 1.00 0.00 N ATOM 0 H ARG A 42 67.786 1.758 -0.987 1.00 0.00 H new ATOM 0 HA ARG A 42 65.178 1.032 0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 42 65.552 2.686 -2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 42 65.170 1.107 -2.718 1.00 0.00 H new ATOM 0 HG2 ARG A 42 63.208 0.996 -1.058 1.00 0.00 H new ATOM 0 HG3 ARG A 42 63.537 2.671 -0.659 1.00 0.00 H new ATOM 0 HD2 ARG A 42 63.319 3.247 -3.127 1.00 0.00 H new ATOM 0 HD3 ARG A 42 62.857 1.585 -3.437 1.00 0.00 H new ATOM 0 HE ARG A 42 61.221 2.823 -1.344 1.00 0.00 H new ATOM 0 HH11 ARG A 42 59.061 3.220 -1.925 1.00 0.00 H new ATOM 0 HH12 ARG A 42 58.573 3.177 -3.623 1.00 0.00 H new ATOM 0 HH21 ARG A 42 61.782 2.412 -4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 42 60.101 2.723 -5.227 1.00 0.00 H new ATOM 674 N LEU A 43 65.763 -1.325 -0.251 1.00 0.00 N ATOM 675 CA LEU A 43 66.067 -2.726 -0.521 1.00 0.00 C ATOM 676 C LEU A 43 64.906 -3.395 -1.248 1.00 0.00 C ATOM 677 O LEU A 43 63.790 -3.454 -0.733 1.00 0.00 O ATOM 678 CB LEU A 43 66.341 -3.465 0.793 1.00 0.00 C ATOM 679 CG LEU A 43 67.711 -3.056 1.349 1.00 0.00 C ATOM 680 CD1 LEU A 43 67.883 -3.643 2.752 1.00 0.00 C ATOM 681 CD2 LEU A 43 68.834 -3.579 0.443 1.00 0.00 C ATOM 0 H LEU A 43 65.190 -1.165 0.578 1.00 0.00 H new ATOM 0 HA LEU A 43 66.953 -2.770 -1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 43 65.561 -3.235 1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 43 66.314 -4.542 0.627 1.00 0.00 H new ATOM 0 HG LEU A 43 67.765 -1.968 1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 43 68.856 -3.354 3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 43 67.097 -3.263 3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 43 67.819 -4.730 2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 43 69.800 -3.280 0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 43 68.783 -4.667 0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 43 68.718 -3.162 -0.557 1.00 0.00 H new ATOM 693 N ILE A 44 65.182 -3.897 -2.449 1.00 0.00 N ATOM 694 CA ILE A 44 64.159 -4.567 -3.250 1.00 0.00 C ATOM 695 C ILE A 44 64.495 -6.049 -3.398 1.00 0.00 C ATOM 696 O ILE A 44 65.660 -6.418 -3.549 1.00 0.00 O ATOM 697 CB ILE A 44 64.073 -3.918 -4.637 1.00 0.00 C ATOM 698 CG1 ILE A 44 63.164 -2.687 -4.575 1.00 0.00 C ATOM 699 CG2 ILE A 44 63.490 -4.919 -5.641 1.00 0.00 C ATOM 700 CD1 ILE A 44 63.731 -1.673 -3.579 1.00 0.00 C ATOM 0 H ILE A 44 66.101 -3.853 -2.888 1.00 0.00 H new ATOM 0 HA ILE A 44 63.198 -4.468 -2.746 1.00 0.00 H new ATOM 0 HB ILE A 44 65.073 -3.621 -4.953 1.00 0.00 H new ATOM 0 HG12 ILE A 44 63.083 -2.234 -5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 44 62.158 -2.981 -4.276 1.00 0.00 H new ATOM 0 HG21 ILE A 44 63.430 -4.454 -6.625 1.00 0.00 H new ATOM 0 HG22 ILE A 44 64.132 -5.798 -5.693 1.00 0.00 H new ATOM 0 HG23 ILE A 44 62.492 -5.217 -5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 44 63.080 -0.799 -3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 44 63.789 -2.128 -2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 44 64.728 -1.369 -3.897 1.00 0.00 H new ATOM 712 N PHE A 45 63.469 -6.894 -3.355 1.00 0.00 N ATOM 713 CA PHE A 45 63.672 -8.333 -3.487 1.00 0.00 C ATOM 714 C PHE A 45 62.440 -8.996 -4.093 1.00 0.00 C ATOM 715 O PHE A 45 61.311 -8.715 -3.690 1.00 0.00 O ATOM 716 CB PHE A 45 63.966 -8.950 -2.118 1.00 0.00 C ATOM 717 CG PHE A 45 64.238 -10.427 -2.276 1.00 0.00 C ATOM 718 CD1 PHE A 45 63.263 -11.361 -1.906 1.00 0.00 C ATOM 719 CD2 PHE A 45 65.463 -10.862 -2.793 1.00 0.00 C ATOM 720 CE1 PHE A 45 63.515 -12.730 -2.051 1.00 0.00 C ATOM 721 CE2 PHE A 45 65.715 -12.232 -2.940 1.00 0.00 C ATOM 722 CZ PHE A 45 64.740 -13.167 -2.569 1.00 0.00 C ATOM 0 H PHE A 45 62.497 -6.611 -3.231 1.00 0.00 H new ATOM 0 HA PHE A 45 64.522 -8.500 -4.149 1.00 0.00 H new ATOM 0 HB2 PHE A 45 64.826 -8.458 -1.663 1.00 0.00 H new ATOM 0 HB3 PHE A 45 63.120 -8.795 -1.449 1.00 0.00 H new ATOM 0 HD1 PHE A 45 62.317 -11.025 -1.509 1.00 0.00 H new ATOM 0 HD2 PHE A 45 66.215 -10.141 -3.079 1.00 0.00 H new ATOM 0 HE1 PHE A 45 62.764 -13.450 -1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 45 66.661 -12.567 -3.339 1.00 0.00 H new ATOM 0 HZ PHE A 45 64.933 -14.224 -2.682 1.00 0.00 H new ATOM 732 N ALA A 46 62.664 -9.876 -5.063 1.00 0.00 N ATOM 733 CA ALA A 46 61.564 -10.574 -5.719 1.00 0.00 C ATOM 734 C ALA A 46 60.651 -9.584 -6.434 1.00 0.00 C ATOM 735 O ALA A 46 59.451 -9.817 -6.569 1.00 0.00 O ATOM 736 CB ALA A 46 60.756 -11.361 -4.687 1.00 0.00 C ATOM 0 H ALA A 46 63.591 -10.122 -5.411 1.00 0.00 H new ATOM 0 HA ALA A 46 61.982 -11.261 -6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 46 59.937 -11.879 -5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.402 -12.090 -4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 46 60.352 -10.676 -3.942 1.00 0.00 H new ATOM 742 N GLY A 47 61.229 -8.477 -6.891 1.00 0.00 N ATOM 743 CA GLY A 47 60.457 -7.458 -7.591 1.00 0.00 C ATOM 744 C GLY A 47 59.554 -6.697 -6.626 1.00 0.00 C ATOM 745 O GLY A 47 58.883 -5.740 -7.011 1.00 0.00 O ATOM 0 H GLY A 47 62.221 -8.264 -6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 47 61.133 -6.762 -8.088 1.00 0.00 H new ATOM 0 HA3 GLY A 47 59.853 -7.925 -8.369 1.00 0.00 H new ATOM 749 N LYS A 48 59.543 -7.130 -5.370 1.00 0.00 N ATOM 750 CA LYS A 48 58.720 -6.485 -4.355 1.00 0.00 C ATOM 751 C LYS A 48 59.576 -5.587 -3.467 1.00 0.00 C ATOM 752 O LYS A 48 60.726 -5.909 -3.167 1.00 0.00 O ATOM 753 CB LYS A 48 58.023 -7.548 -3.502 1.00 0.00 C ATOM 754 CG LYS A 48 57.661 -6.961 -2.136 1.00 0.00 C ATOM 755 CD LYS A 48 56.577 -7.819 -1.481 1.00 0.00 C ATOM 756 CE LYS A 48 57.071 -9.262 -1.361 1.00 0.00 C ATOM 757 NZ LYS A 48 56.717 -10.012 -2.599 1.00 0.00 N ATOM 0 H LYS A 48 60.092 -7.921 -5.032 1.00 0.00 H new ATOM 0 HA LYS A 48 57.969 -5.871 -4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 48 57.123 -7.900 -4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 48 58.676 -8.412 -3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 48 58.545 -6.924 -1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 48 57.308 -5.936 -2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 48 56.332 -7.424 -0.495 1.00 0.00 H new ATOM 0 HD3 LYS A 48 55.663 -7.784 -2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 48 58.150 -9.277 -1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 48 56.621 -9.741 -0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 56.263 -10.912 -2.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 56.061 -9.445 -3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 57.580 -10.204 -3.147 1.00 0.00 H new ATOM 771 N GLN A 49 59.007 -4.461 -3.047 1.00 0.00 N ATOM 772 CA GLN A 49 59.729 -3.526 -2.192 1.00 0.00 C ATOM 773 C GLN A 49 59.605 -3.936 -0.729 1.00 0.00 C ATOM 774 O GLN A 49 58.522 -4.297 -0.265 1.00 0.00 O ATOM 775 CB GLN A 49 59.174 -2.112 -2.379 1.00 0.00 C ATOM 776 CG GLN A 49 60.121 -1.100 -1.733 1.00 0.00 C ATOM 777 CD GLN A 49 59.318 -0.004 -1.039 1.00 0.00 C ATOM 778 OE1 GLN A 49 59.040 1.037 -1.636 1.00 0.00 O ATOM 779 NE2 GLN A 49 58.924 -0.177 0.193 1.00 0.00 N ATOM 0 H GLN A 49 58.056 -4.176 -3.282 1.00 0.00 H new ATOM 0 HA GLN A 49 60.782 -3.541 -2.474 1.00 0.00 H new ATOM 0 HB2 GLN A 49 59.060 -1.893 -3.441 1.00 0.00 H new ATOM 0 HB3 GLN A 49 58.184 -2.037 -1.930 1.00 0.00 H new ATOM 0 HG2 GLN A 49 60.766 -1.602 -1.012 1.00 0.00 H new ATOM 0 HG3 GLN A 49 60.771 -0.662 -2.491 1.00 0.00 H new ATOM 0 HE21 GLN A 49 59.155 -1.040 0.686 1.00 0.00 H new ATOM 0 HE22 GLN A 49 58.385 0.550 0.663 1.00 0.00 H new ATOM 788 N LEU A 50 60.719 -3.883 -0.008 1.00 0.00 N ATOM 789 CA LEU A 50 60.725 -4.254 1.402 1.00 0.00 C ATOM 790 C LEU A 50 60.417 -3.046 2.281 1.00 0.00 C ATOM 791 O LEU A 50 60.670 -1.905 1.893 1.00 0.00 O ATOM 792 CB LEU A 50 62.088 -4.830 1.784 1.00 0.00 C ATOM 793 CG LEU A 50 62.508 -5.888 0.761 1.00 0.00 C ATOM 794 CD1 LEU A 50 63.841 -6.507 1.183 1.00 0.00 C ATOM 795 CD2 LEU A 50 61.441 -6.983 0.692 1.00 0.00 C ATOM 0 H LEU A 50 61.625 -3.589 -0.374 1.00 0.00 H new ATOM 0 HA LEU A 50 59.953 -5.007 1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 50 62.831 -4.034 1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 50 62.041 -5.272 2.779 1.00 0.00 H new ATOM 0 HG LEU A 50 62.617 -5.421 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.139 -7.260 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 50 64.603 -5.730 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 50 63.732 -6.973 2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 50 61.740 -7.737 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 50 61.333 -7.448 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 50 60.489 -6.545 0.391 1.00 0.00 H new ATOM 807 N GLU A 51 59.873 -3.309 3.467 1.00 0.00 N ATOM 808 CA GLU A 51 59.532 -2.243 4.405 1.00 0.00 C ATOM 809 C GLU A 51 60.249 -2.452 5.733 1.00 0.00 C ATOM 810 O GLU A 51 60.597 -3.576 6.093 1.00 0.00 O ATOM 811 CB GLU A 51 58.019 -2.211 4.637 1.00 0.00 C ATOM 812 CG GLU A 51 57.419 -1.008 3.909 1.00 0.00 C ATOM 813 CD GLU A 51 55.899 -1.038 4.011 1.00 0.00 C ATOM 814 OE1 GLU A 51 55.314 0.024 4.152 1.00 0.00 O ATOM 815 OE2 GLU A 51 55.341 -2.120 3.942 1.00 0.00 O ATOM 0 H GLU A 51 59.659 -4.249 3.800 1.00 0.00 H new ATOM 0 HA GLU A 51 59.851 -1.293 3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 51 57.565 -3.133 4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 51 57.805 -2.148 5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 51 57.802 -0.084 4.341 1.00 0.00 H new ATOM 0 HG3 GLU A 51 57.721 -1.019 2.862 1.00 0.00 H new ATOM 822 N ASP A 52 60.466 -1.360 6.454 1.00 0.00 N ATOM 823 CA ASP A 52 61.143 -1.425 7.740 1.00 0.00 C ATOM 824 C ASP A 52 60.223 -2.023 8.799 1.00 0.00 C ATOM 825 O ASP A 52 59.071 -1.609 8.940 1.00 0.00 O ATOM 826 CB ASP A 52 61.578 -0.024 8.168 1.00 0.00 C ATOM 827 CG ASP A 52 61.010 1.020 7.213 1.00 0.00 C ATOM 828 OD1 ASP A 52 61.652 1.293 6.213 1.00 0.00 O ATOM 829 OD2 ASP A 52 59.938 1.531 7.495 1.00 0.00 O ATOM 0 H ASP A 52 60.184 -0.422 6.170 1.00 0.00 H new ATOM 0 HA ASP A 52 62.021 -2.063 7.639 1.00 0.00 H new ATOM 0 HB2 ASP A 52 61.235 0.177 9.183 1.00 0.00 H new ATOM 0 HB3 ASP A 52 62.666 0.039 8.181 1.00 0.00 H new ATOM 834 N GLY A 53 60.740 -3.000 9.541 1.00 0.00 N ATOM 835 CA GLY A 53 59.960 -3.654 10.587 1.00 0.00 C ATOM 836 C GLY A 53 60.019 -5.169 10.437 1.00 0.00 C ATOM 837 O GLY A 53 60.007 -5.903 11.425 1.00 0.00 O ATOM 0 H GLY A 53 61.691 -3.354 9.438 1.00 0.00 H new ATOM 0 HA2 GLY A 53 60.342 -3.366 11.566 1.00 0.00 H new ATOM 0 HA3 GLY A 53 58.924 -3.319 10.538 1.00 0.00 H new ATOM 841 N ARG A 54 60.091 -5.631 9.192 1.00 0.00 N ATOM 842 CA ARG A 54 60.162 -7.062 8.924 1.00 0.00 C ATOM 843 C ARG A 54 61.614 -7.516 8.926 1.00 0.00 C ATOM 844 O ARG A 54 62.508 -6.749 8.567 1.00 0.00 O ATOM 845 CB ARG A 54 59.527 -7.388 7.570 1.00 0.00 C ATOM 846 CG ARG A 54 58.663 -6.214 7.098 1.00 0.00 C ATOM 847 CD ARG A 54 57.616 -5.879 8.165 1.00 0.00 C ATOM 848 NE ARG A 54 56.293 -5.785 7.559 1.00 0.00 N ATOM 849 CZ ARG A 54 55.309 -5.117 8.152 1.00 0.00 C ATOM 850 NH1 ARG A 54 54.133 -5.053 7.592 1.00 0.00 N ATOM 851 NH2 ARG A 54 55.520 -4.525 9.295 1.00 0.00 N ATOM 0 H ARG A 54 60.102 -5.041 8.360 1.00 0.00 H new ATOM 0 HA ARG A 54 59.613 -7.588 9.706 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.305 -7.596 6.835 1.00 0.00 H new ATOM 0 HB3 ARG A 54 58.918 -8.288 7.652 1.00 0.00 H new ATOM 0 HG2 ARG A 54 59.290 -5.344 6.905 1.00 0.00 H new ATOM 0 HG3 ARG A 54 58.171 -6.467 6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 54 57.616 -6.647 8.939 1.00 0.00 H new ATOM 0 HD3 ARG A 54 57.870 -4.937 8.651 1.00 0.00 H new ATOM 0 HE ARG A 54 56.120 -6.241 6.663 1.00 0.00 H new ATOM 0 HH11 ARG A 54 53.968 -5.516 6.698 1.00 0.00 H new ATOM 0 HH12 ARG A 54 53.378 -4.540 8.048 1.00 0.00 H new ATOM 0 HH21 ARG A 54 56.440 -4.575 9.733 1.00 0.00 H new ATOM 0 HH22 ARG A 54 54.765 -4.012 9.751 1.00 0.00 H new ATOM 865 N THR A 55 61.849 -8.757 9.344 1.00 0.00 N ATOM 866 CA THR A 55 63.207 -9.279 9.399 1.00 0.00 C ATOM 867 C THR A 55 63.504 -10.210 8.236 1.00 0.00 C ATOM 868 O THR A 55 62.603 -10.629 7.512 1.00 0.00 O ATOM 869 CB THR A 55 63.439 -9.992 10.725 1.00 0.00 C ATOM 870 OG1 THR A 55 62.662 -11.179 10.778 1.00 0.00 O ATOM 871 CG2 THR A 55 63.037 -9.052 11.851 1.00 0.00 C ATOM 0 H THR A 55 61.126 -9.410 9.645 1.00 0.00 H new ATOM 0 HA THR A 55 63.891 -8.434 9.321 1.00 0.00 H new ATOM 0 HB THR A 55 64.490 -10.264 10.826 1.00 0.00 H new ATOM 0 HG1 THR A 55 62.817 -11.633 11.632 1.00 0.00 H new ATOM 0 HG21 THR A 55 63.196 -9.545 12.810 1.00 0.00 H new ATOM 0 HG22 THR A 55 63.643 -8.147 11.803 1.00 0.00 H new ATOM 0 HG23 THR A 55 61.984 -8.790 11.748 1.00 0.00 H new ATOM 879 N LEU A 56 64.787 -10.522 8.062 1.00 0.00 N ATOM 880 CA LEU A 56 65.198 -11.394 6.977 1.00 0.00 C ATOM 881 C LEU A 56 64.455 -12.720 7.081 1.00 0.00 C ATOM 882 O LEU A 56 64.104 -13.330 6.072 1.00 0.00 O ATOM 883 CB LEU A 56 66.708 -11.665 7.042 1.00 0.00 C ATOM 884 CG LEU A 56 67.517 -10.392 6.757 1.00 0.00 C ATOM 885 CD1 LEU A 56 69.006 -10.721 6.841 1.00 0.00 C ATOM 886 CD2 LEU A 56 67.211 -9.874 5.353 1.00 0.00 C ATOM 0 H LEU A 56 65.547 -10.186 8.653 1.00 0.00 H new ATOM 0 HA LEU A 56 64.964 -10.903 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 56 66.968 -12.050 8.028 1.00 0.00 H new ATOM 0 HB3 LEU A 56 66.973 -12.436 6.318 1.00 0.00 H new ATOM 0 HG LEU A 56 67.250 -9.630 7.489 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.589 -9.822 6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 56 69.241 -11.090 7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 56 69.252 -11.486 6.104 1.00 0.00 H new ATOM 0 HD21 LEU A 56 67.791 -8.971 5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 56 67.475 -10.635 4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 56 66.148 -9.646 5.273 1.00 0.00 H new ATOM 898 N SER A 57 64.219 -13.158 8.315 1.00 0.00 N ATOM 899 CA SER A 57 63.515 -14.414 8.545 1.00 0.00 C ATOM 900 C SER A 57 62.038 -14.280 8.179 1.00 0.00 C ATOM 901 O SER A 57 61.385 -15.260 7.824 1.00 0.00 O ATOM 902 CB SER A 57 63.645 -14.823 10.012 1.00 0.00 C ATOM 903 OG SER A 57 62.436 -15.440 10.436 1.00 0.00 O ATOM 0 H SER A 57 64.502 -12.667 9.163 1.00 0.00 H new ATOM 0 HA SER A 57 63.964 -15.180 7.913 1.00 0.00 H new ATOM 0 HB2 SER A 57 64.481 -15.511 10.137 1.00 0.00 H new ATOM 0 HB3 SER A 57 63.856 -13.949 10.628 1.00 0.00 H new ATOM 0 HG SER A 57 62.516 -15.705 11.376 1.00 0.00 H new ATOM 909 N ASP A 58 61.517 -13.060 8.280 1.00 0.00 N ATOM 910 CA ASP A 58 60.113 -12.807 7.969 1.00 0.00 C ATOM 911 C ASP A 58 59.873 -12.794 6.462 1.00 0.00 C ATOM 912 O ASP A 58 58.834 -13.252 5.988 1.00 0.00 O ATOM 913 CB ASP A 58 59.686 -11.465 8.563 1.00 0.00 C ATOM 914 CG ASP A 58 60.031 -11.424 10.048 1.00 0.00 C ATOM 915 OD1 ASP A 58 59.934 -10.358 10.632 1.00 0.00 O ATOM 916 OD2 ASP A 58 60.392 -12.462 10.578 1.00 0.00 O ATOM 0 H ASP A 58 62.042 -12.236 8.573 1.00 0.00 H new ATOM 0 HA ASP A 58 59.521 -13.612 8.404 1.00 0.00 H new ATOM 0 HB2 ASP A 58 60.187 -10.650 8.041 1.00 0.00 H new ATOM 0 HB3 ASP A 58 58.614 -11.320 8.425 1.00 0.00 H new ATOM 921 N TYR A 59 60.835 -12.268 5.713 1.00 0.00 N ATOM 922 CA TYR A 59 60.705 -12.204 4.261 1.00 0.00 C ATOM 923 C TYR A 59 61.179 -13.507 3.632 1.00 0.00 C ATOM 924 O TYR A 59 61.147 -13.669 2.412 1.00 0.00 O ATOM 925 CB TYR A 59 61.521 -11.035 3.709 1.00 0.00 C ATOM 926 CG TYR A 59 60.629 -9.827 3.534 1.00 0.00 C ATOM 927 CD1 TYR A 59 59.580 -9.859 2.608 1.00 0.00 C ATOM 928 CD2 TYR A 59 60.851 -8.674 4.299 1.00 0.00 C ATOM 929 CE1 TYR A 59 58.755 -8.741 2.445 1.00 0.00 C ATOM 930 CE2 TYR A 59 60.025 -7.557 4.137 1.00 0.00 C ATOM 931 CZ TYR A 59 58.977 -7.589 3.208 1.00 0.00 C ATOM 932 OH TYR A 59 58.163 -6.487 3.048 1.00 0.00 O ATOM 0 H TYR A 59 61.705 -11.883 6.081 1.00 0.00 H new ATOM 0 HA TYR A 59 59.655 -12.052 4.013 1.00 0.00 H new ATOM 0 HB2 TYR A 59 62.340 -10.799 4.388 1.00 0.00 H new ATOM 0 HB3 TYR A 59 61.968 -11.310 2.754 1.00 0.00 H new ATOM 0 HD1 TYR A 59 59.407 -10.748 2.019 1.00 0.00 H new ATOM 0 HD2 TYR A 59 61.660 -8.648 5.014 1.00 0.00 H new ATOM 0 HE1 TYR A 59 57.946 -8.767 1.730 1.00 0.00 H new ATOM 0 HE2 TYR A 59 60.195 -6.669 4.728 1.00 0.00 H new ATOM 0 HH TYR A 59 58.291 -5.874 3.802 1.00 0.00 H new ATOM 942 N ASN A 60 61.620 -14.432 4.477 1.00 0.00 N ATOM 943 CA ASN A 60 62.098 -15.723 4.001 1.00 0.00 C ATOM 944 C ASN A 60 63.412 -15.566 3.241 1.00 0.00 C ATOM 945 O ASN A 60 63.802 -16.444 2.471 1.00 0.00 O ATOM 946 CB ASN A 60 61.052 -16.363 3.085 1.00 0.00 C ATOM 947 CG ASN A 60 61.166 -17.882 3.141 1.00 0.00 C ATOM 948 OD1 ASN A 60 61.613 -18.507 2.180 1.00 0.00 O ATOM 949 ND2 ASN A 60 60.782 -18.517 4.214 1.00 0.00 N ATOM 0 H ASN A 60 61.656 -14.313 5.489 1.00 0.00 H new ATOM 0 HA ASN A 60 62.267 -16.365 4.866 1.00 0.00 H new ATOM 0 HB2 ASN A 60 60.052 -16.054 3.390 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.194 -16.017 2.061 1.00 0.00 H new ATOM 0 HD21 ASN A 60 60.852 -19.534 4.257 1.00 0.00 H new ATOM 0 HD22 ASN A 60 60.412 -17.997 5.009 1.00 0.00 H new ATOM 956 N ILE A 61 64.090 -14.444 3.460 1.00 0.00 N ATOM 957 CA ILE A 61 65.358 -14.191 2.788 1.00 0.00 C ATOM 958 C ILE A 61 66.403 -15.214 3.218 1.00 0.00 C ATOM 959 O ILE A 61 66.423 -15.649 4.369 1.00 0.00 O ATOM 960 CB ILE A 61 65.843 -12.772 3.097 1.00 0.00 C ATOM 961 CG1 ILE A 61 65.092 -11.796 2.181 1.00 0.00 C ATOM 962 CG2 ILE A 61 67.347 -12.673 2.829 1.00 0.00 C ATOM 963 CD1 ILE A 61 65.184 -10.371 2.729 1.00 0.00 C ATOM 0 H ILE A 61 63.786 -13.703 4.091 1.00 0.00 H new ATOM 0 HA ILE A 61 65.208 -14.284 1.712 1.00 0.00 H new ATOM 0 HB ILE A 61 65.654 -12.529 4.143 1.00 0.00 H new ATOM 0 HG12 ILE A 61 65.513 -11.834 1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.047 -12.094 2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 61 67.690 -11.662 3.050 1.00 0.00 H new ATOM 0 HG22 ILE A 61 67.877 -13.383 3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.546 -12.903 1.782 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.646 -9.691 2.068 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.741 -10.335 3.724 1.00 0.00 H new ATOM 0 HD13 ILE A 61 66.230 -10.070 2.786 1.00 0.00 H new ATOM 975 N GLN A 62 67.262 -15.604 2.282 1.00 0.00 N ATOM 976 CA GLN A 62 68.298 -16.588 2.574 1.00 0.00 C ATOM 977 C GLN A 62 69.576 -15.904 3.041 1.00 0.00 C ATOM 978 O GLN A 62 69.625 -14.683 3.186 1.00 0.00 O ATOM 979 CB GLN A 62 68.592 -17.422 1.326 1.00 0.00 C ATOM 980 CG GLN A 62 67.306 -18.097 0.845 1.00 0.00 C ATOM 981 CD GLN A 62 67.636 -19.169 -0.188 1.00 0.00 C ATOM 982 OE1 GLN A 62 66.927 -19.312 -1.185 1.00 0.00 O ATOM 983 NE2 GLN A 62 68.678 -19.933 -0.011 1.00 0.00 N ATOM 0 H GLN A 62 67.262 -15.257 1.323 1.00 0.00 H new ATOM 0 HA GLN A 62 67.937 -17.238 3.371 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.997 -16.786 0.539 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.348 -18.175 1.549 1.00 0.00 H new ATOM 0 HG2 GLN A 62 66.782 -18.543 1.690 1.00 0.00 H new ATOM 0 HG3 GLN A 62 66.636 -17.355 0.410 1.00 0.00 H new ATOM 0 HE21 GLN A 62 69.264 -19.813 0.815 1.00 0.00 H new ATOM 0 HE22 GLN A 62 68.907 -20.650 -0.699 1.00 0.00 H new ATOM 992 N LYS A 63 70.606 -16.706 3.284 1.00 0.00 N ATOM 993 CA LYS A 63 71.881 -16.177 3.748 1.00 0.00 C ATOM 994 C LYS A 63 72.813 -15.896 2.583 1.00 0.00 C ATOM 995 O LYS A 63 73.876 -15.324 2.772 1.00 0.00 O ATOM 996 CB LYS A 63 72.544 -17.180 4.692 1.00 0.00 C ATOM 997 CG LYS A 63 72.705 -18.527 3.982 1.00 0.00 C ATOM 998 CD LYS A 63 73.325 -19.541 4.944 1.00 0.00 C ATOM 999 CE LYS A 63 72.221 -20.408 5.553 1.00 0.00 C ATOM 1000 NZ LYS A 63 72.763 -21.149 6.728 1.00 0.00 N ATOM 0 H LYS A 63 70.583 -17.719 3.168 1.00 0.00 H new ATOM 0 HA LYS A 63 71.688 -15.242 4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 63 73.518 -16.807 5.010 1.00 0.00 H new ATOM 0 HB3 LYS A 63 71.940 -17.302 5.591 1.00 0.00 H new ATOM 0 HG2 LYS A 63 71.736 -18.885 3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 63 73.337 -18.412 3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 63 74.044 -20.167 4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 63 73.872 -19.023 5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 63 71.381 -19.784 5.859 1.00 0.00 H new ATOM 0 HE3 LYS A 63 71.843 -21.110 4.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 72.013 -21.739 7.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 73.551 -21.755 6.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 73.103 -20.471 7.439 1.00 0.00 H new ATOM 1014 N GLU A 64 72.401 -16.296 1.390 1.00 0.00 N ATOM 1015 CA GLU A 64 73.194 -16.082 0.192 1.00 0.00 C ATOM 1016 C GLU A 64 72.376 -15.341 -0.863 1.00 0.00 C ATOM 1017 O GLU A 64 72.884 -14.988 -1.926 1.00 0.00 O ATOM 1018 CB GLU A 64 73.671 -17.424 -0.367 1.00 0.00 C ATOM 1019 CG GLU A 64 75.116 -17.668 0.071 1.00 0.00 C ATOM 1020 CD GLU A 64 75.549 -19.079 -0.312 1.00 0.00 C ATOM 1021 OE1 GLU A 64 76.211 -19.220 -1.326 1.00 0.00 O ATOM 1022 OE2 GLU A 64 75.221 -19.998 0.422 1.00 0.00 O ATOM 0 H GLU A 64 71.515 -16.774 1.227 1.00 0.00 H new ATOM 0 HA GLU A 64 74.061 -15.475 0.453 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.029 -18.229 -0.009 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.604 -17.423 -1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 64 75.775 -16.937 -0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 64 75.205 -17.532 1.149 1.00 0.00 H new ATOM 1029 N SER A 65 71.098 -15.125 -0.563 1.00 0.00 N ATOM 1030 CA SER A 65 70.200 -14.443 -1.490 1.00 0.00 C ATOM 1031 C SER A 65 70.811 -13.144 -2.006 1.00 0.00 C ATOM 1032 O SER A 65 71.682 -12.555 -1.367 1.00 0.00 O ATOM 1033 CB SER A 65 68.874 -14.134 -0.795 1.00 0.00 C ATOM 1034 OG SER A 65 67.996 -15.241 -0.944 1.00 0.00 O ATOM 0 H SER A 65 70.662 -15.412 0.313 1.00 0.00 H new ATOM 0 HA SER A 65 70.032 -15.106 -2.339 1.00 0.00 H new ATOM 0 HB2 SER A 65 69.043 -13.929 0.262 1.00 0.00 H new ATOM 0 HB3 SER A 65 68.425 -13.239 -1.225 1.00 0.00 H new ATOM 0 HG SER A 65 67.098 -14.990 -0.641 1.00 0.00 H new ATOM 1040 N THR A 66 70.331 -12.704 -3.165 1.00 0.00 N ATOM 1041 CA THR A 66 70.811 -11.467 -3.768 1.00 0.00 C ATOM 1042 C THR A 66 69.767 -10.366 -3.595 1.00 0.00 C ATOM 1043 O THR A 66 68.621 -10.519 -4.016 1.00 0.00 O ATOM 1044 CB THR A 66 71.087 -11.683 -5.259 1.00 0.00 C ATOM 1045 OG1 THR A 66 71.834 -12.878 -5.432 1.00 0.00 O ATOM 1046 CG2 THR A 66 71.880 -10.497 -5.813 1.00 0.00 C ATOM 0 H THR A 66 69.611 -13.185 -3.704 1.00 0.00 H new ATOM 0 HA THR A 66 71.735 -11.169 -3.273 1.00 0.00 H new ATOM 0 HB THR A 66 70.141 -11.764 -5.795 1.00 0.00 H new ATOM 0 HG1 THR A 66 72.010 -13.019 -6.386 1.00 0.00 H new ATOM 0 HG21 THR A 66 72.075 -10.653 -6.874 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.304 -9.581 -5.681 1.00 0.00 H new ATOM 0 HG23 THR A 66 72.826 -10.411 -5.279 1.00 0.00 H new ATOM 1054 N LEU A 67 70.166 -9.265 -2.968 1.00 0.00 N ATOM 1055 CA LEU A 67 69.248 -8.153 -2.738 1.00 0.00 C ATOM 1056 C LEU A 67 69.530 -7.014 -3.709 1.00 0.00 C ATOM 1057 O LEU A 67 70.673 -6.783 -4.093 1.00 0.00 O ATOM 1058 CB LEU A 67 69.399 -7.642 -1.303 1.00 0.00 C ATOM 1059 CG LEU A 67 68.639 -8.560 -0.345 1.00 0.00 C ATOM 1060 CD1 LEU A 67 69.420 -8.693 0.964 1.00 0.00 C ATOM 1061 CD2 LEU A 67 67.259 -7.965 -0.054 1.00 0.00 C ATOM 0 H LEU A 67 71.111 -9.118 -2.612 1.00 0.00 H new ATOM 0 HA LEU A 67 68.230 -8.510 -2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 67 70.453 -7.607 -1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 67 69.016 -6.624 -1.227 1.00 0.00 H new ATOM 0 HG LEU A 67 68.524 -9.543 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 67 68.878 -9.347 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 67 70.403 -9.117 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 67 69.536 -7.710 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 67 66.717 -8.619 0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 67 67.375 -6.982 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 67 66.700 -7.870 -0.985 1.00 0.00 H new ATOM 1073 N HIS A 68 68.479 -6.300 -4.096 1.00 0.00 N ATOM 1074 CA HIS A 68 68.628 -5.181 -5.018 1.00 0.00 C ATOM 1075 C HIS A 68 68.634 -3.863 -4.249 1.00 0.00 C ATOM 1076 O HIS A 68 67.667 -3.529 -3.565 1.00 0.00 O ATOM 1077 CB HIS A 68 67.488 -5.186 -6.036 1.00 0.00 C ATOM 1078 CG HIS A 68 67.711 -6.293 -7.029 1.00 0.00 C ATOM 1079 ND1 HIS A 68 67.423 -7.618 -6.734 1.00 0.00 N ATOM 1080 CD2 HIS A 68 68.193 -6.291 -8.313 1.00 0.00 C ATOM 1081 CE1 HIS A 68 67.732 -8.350 -7.820 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.206 -7.591 -8.811 1.00 0.00 N ATOM 0 H HIS A 68 67.522 -6.474 -3.789 1.00 0.00 H new ATOM 0 HA HIS A 68 69.576 -5.285 -5.546 1.00 0.00 H new ATOM 0 HB2 HIS A 68 66.533 -5.324 -5.529 1.00 0.00 H new ATOM 0 HB3 HIS A 68 67.440 -4.226 -6.550 1.00 0.00 H new ATOM 0 HD2 HIS A 68 68.514 -5.414 -8.855 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.611 -9.421 -7.882 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.512 -7.898 -9.734 1.00 0.00 H new ATOM 1090 N LEU A 69 69.732 -3.126 -4.361 1.00 0.00 N ATOM 1091 CA LEU A 69 69.861 -1.851 -3.667 1.00 0.00 C ATOM 1092 C LEU A 69 69.529 -0.693 -4.604 1.00 0.00 C ATOM 1093 O LEU A 69 70.221 -0.470 -5.600 1.00 0.00 O ATOM 1094 CB LEU A 69 71.290 -1.705 -3.128 1.00 0.00 C ATOM 1095 CG LEU A 69 71.521 -0.290 -2.585 1.00 0.00 C ATOM 1096 CD1 LEU A 69 70.411 0.076 -1.599 1.00 0.00 C ATOM 1097 CD2 LEU A 69 72.872 -0.239 -1.866 1.00 0.00 C ATOM 0 H LEU A 69 70.542 -3.387 -4.923 1.00 0.00 H new ATOM 0 HA LEU A 69 69.157 -1.827 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 69 71.463 -2.436 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 69 72.007 -1.917 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 69 71.515 0.419 -3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 69 70.581 1.083 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 69 69.447 0.038 -2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.413 -0.632 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 69 73.040 0.766 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 69 72.872 -0.951 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 69 73.667 -0.495 -2.566 1.00 0.00 H new ATOM 1109 N VAL A 70 68.466 0.038 -4.277 1.00 0.00 N ATOM 1110 CA VAL A 70 68.039 1.175 -5.088 1.00 0.00 C ATOM 1111 C VAL A 70 68.022 2.452 -4.255 1.00 0.00 C ATOM 1112 O VAL A 70 67.728 2.421 -3.059 1.00 0.00 O ATOM 1113 CB VAL A 70 66.644 0.919 -5.658 1.00 0.00 C ATOM 1114 CG1 VAL A 70 66.404 1.838 -6.857 1.00 0.00 C ATOM 1115 CG2 VAL A 70 66.541 -0.540 -6.106 1.00 0.00 C ATOM 0 H VAL A 70 67.885 -0.137 -3.457 1.00 0.00 H new ATOM 0 HA VAL A 70 68.748 1.297 -5.907 1.00 0.00 H new ATOM 0 HB VAL A 70 65.895 1.121 -4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 70 65.409 1.655 -7.263 1.00 0.00 H new ATOM 0 HG12 VAL A 70 66.480 2.878 -6.539 1.00 0.00 H new ATOM 0 HG13 VAL A 70 67.151 1.637 -7.625 1.00 0.00 H new ATOM 0 HG21 VAL A 70 65.547 -0.726 -6.513 1.00 0.00 H new ATOM 0 HG22 VAL A 70 67.290 -0.739 -6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 70 66.712 -1.196 -5.252 1.00 0.00 H new ATOM 1125 N LEU A 71 68.346 3.572 -4.891 1.00 0.00 N ATOM 1126 CA LEU A 71 68.371 4.854 -4.194 1.00 0.00 C ATOM 1127 C LEU A 71 67.089 5.636 -4.463 1.00 0.00 C ATOM 1128 O LEU A 71 66.540 5.587 -5.562 1.00 0.00 O ATOM 1129 CB LEU A 71 69.577 5.677 -4.655 1.00 0.00 C ATOM 1130 CG LEU A 71 70.784 4.758 -4.849 1.00 0.00 C ATOM 1131 CD1 LEU A 71 72.011 5.596 -5.206 1.00 0.00 C ATOM 1132 CD2 LEU A 71 71.053 3.990 -3.553 1.00 0.00 C ATOM 0 H LEU A 71 68.593 3.620 -5.879 1.00 0.00 H new ATOM 0 HA LEU A 71 68.449 4.662 -3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 71 69.344 6.190 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 71 69.808 6.446 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 71 70.578 4.053 -5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 71 72.871 4.941 -5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 71 71.821 6.145 -6.128 1.00 0.00 H new ATOM 0 HD13 LEU A 71 72.217 6.301 -4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 71 71.913 3.335 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 71 71.259 4.696 -2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 71 70.179 3.392 -3.296 1.00 0.00 H new ATOM 1144 N ARG A 72 66.617 6.354 -3.448 1.00 0.00 N ATOM 1145 CA ARG A 72 65.397 7.141 -3.585 1.00 0.00 C ATOM 1146 C ARG A 72 65.536 8.488 -2.879 1.00 0.00 C ATOM 1147 O ARG A 72 66.325 8.631 -1.944 1.00 0.00 O ATOM 1148 CB ARG A 72 64.210 6.362 -3.017 1.00 0.00 C ATOM 1149 CG ARG A 72 64.379 6.187 -1.510 1.00 0.00 C ATOM 1150 CD ARG A 72 63.347 7.040 -0.773 1.00 0.00 C ATOM 1151 NE ARG A 72 62.023 6.439 -0.887 1.00 0.00 N ATOM 1152 CZ ARG A 72 61.634 5.477 -0.058 1.00 0.00 C ATOM 1153 NH1 ARG A 72 60.443 4.953 -0.178 1.00 0.00 N ATOM 1154 NH2 ARG A 72 62.440 5.054 0.876 1.00 0.00 N ATOM 0 H ARG A 72 67.057 6.407 -2.529 1.00 0.00 H new ATOM 0 HA ARG A 72 65.224 7.332 -4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 72 63.281 6.891 -3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 72 64.139 5.387 -3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 72 64.257 5.138 -1.240 1.00 0.00 H new ATOM 0 HG3 ARG A 72 65.386 6.478 -1.211 1.00 0.00 H new ATOM 0 HD2 ARG A 72 63.624 7.132 0.277 1.00 0.00 H new ATOM 0 HD3 ARG A 72 63.334 8.048 -1.188 1.00 0.00 H new ATOM 0 HE ARG A 72 61.386 6.763 -1.615 1.00 0.00 H new ATOM 0 HH11 ARG A 72 59.812 5.283 -0.908 1.00 0.00 H new ATOM 0 HH12 ARG A 72 60.144 4.214 0.459 1.00 0.00 H new ATOM 0 HH21 ARG A 72 63.370 5.462 0.970 1.00 0.00 H new ATOM 0 HH22 ARG A 72 62.140 4.315 1.512 1.00 0.00 H new ATOM 1168 N LEU A 73 64.772 9.474 -3.342 1.00 0.00 N ATOM 1169 CA LEU A 73 64.819 10.814 -2.761 1.00 0.00 C ATOM 1170 C LEU A 73 66.240 11.367 -2.809 1.00 0.00 C ATOM 1171 O LEU A 73 67.063 11.067 -1.945 1.00 0.00 O ATOM 1172 CB LEU A 73 64.331 10.784 -1.309 1.00 0.00 C ATOM 1173 CG LEU A 73 62.797 10.807 -1.277 1.00 0.00 C ATOM 1174 CD1 LEU A 73 62.316 10.504 0.144 1.00 0.00 C ATOM 1175 CD2 LEU A 73 62.274 12.186 -1.703 1.00 0.00 C ATOM 0 H LEU A 73 64.115 9.372 -4.115 1.00 0.00 H new ATOM 0 HA LEU A 73 64.165 11.461 -3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 73 64.701 9.889 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 73 64.728 11.640 -0.764 1.00 0.00 H new ATOM 0 HG LEU A 73 62.419 10.055 -1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.226 10.520 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 73 62.672 9.519 0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.706 11.257 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 73 61.184 12.186 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.655 12.946 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 73 62.611 12.406 -2.716 1.00 0.00 H new ATOM 1187 N ARG A 74 66.518 12.176 -3.827 1.00 0.00 N ATOM 1188 CA ARG A 74 67.842 12.771 -3.984 1.00 0.00 C ATOM 1189 C ARG A 74 67.806 14.256 -3.638 1.00 0.00 C ATOM 1190 O ARG A 74 66.879 14.970 -4.021 1.00 0.00 O ATOM 1191 CB ARG A 74 68.327 12.593 -5.424 1.00 0.00 C ATOM 1192 CG ARG A 74 67.697 11.333 -6.024 1.00 0.00 C ATOM 1193 CD ARG A 74 68.575 10.816 -7.164 1.00 0.00 C ATOM 1194 NE ARG A 74 68.801 11.870 -8.146 1.00 0.00 N ATOM 1195 CZ ARG A 74 69.838 11.825 -8.975 1.00 0.00 C ATOM 1196 NH1 ARG A 74 70.018 12.780 -9.847 1.00 0.00 N ATOM 1197 NH2 ARG A 74 70.677 10.827 -8.918 1.00 0.00 N ATOM 0 H ARG A 74 65.849 12.434 -4.552 1.00 0.00 H new ATOM 0 HA ARG A 74 68.529 12.267 -3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 74 68.059 13.465 -6.020 1.00 0.00 H new ATOM 0 HB3 ARG A 74 69.414 12.514 -5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 74 67.590 10.566 -5.257 1.00 0.00 H new ATOM 0 HG3 ARG A 74 66.696 11.555 -6.394 1.00 0.00 H new ATOM 0 HD2 ARG A 74 69.529 10.468 -6.768 1.00 0.00 H new ATOM 0 HD3 ARG A 74 68.097 9.961 -7.642 1.00 0.00 H new ATOM 0 HE ARG A 74 68.152 12.655 -8.197 1.00 0.00 H new ATOM 0 HH11 ARG A 74 69.363 13.560 -9.891 1.00 0.00 H new ATOM 0 HH12 ARG A 74 70.814 12.746 -10.484 1.00 0.00 H new ATOM 0 HH21 ARG A 74 70.537 10.081 -8.237 1.00 0.00 H new ATOM 0 HH22 ARG A 74 71.473 10.793 -9.555 1.00 0.00 H new ATOM 1211 N GLY A 75 68.820 14.714 -2.913 1.00 0.00 N ATOM 1212 CA GLY A 75 68.893 16.117 -2.521 1.00 0.00 C ATOM 1213 C GLY A 75 69.019 17.018 -3.746 1.00 0.00 C ATOM 1214 O GLY A 75 68.157 17.861 -3.998 1.00 0.00 O ATOM 0 H GLY A 75 69.597 14.140 -2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 75 68.001 16.388 -1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 75 69.747 16.271 -1.862 1.00 0.00 H new ATOM 1218 N GLY A 76 70.097 16.835 -4.501 1.00 0.00 N ATOM 1219 CA GLY A 76 70.325 17.639 -5.695 1.00 0.00 C ATOM 1220 C GLY A 76 69.616 17.033 -6.902 1.00 0.00 C ATOM 1221 O GLY A 76 68.646 16.321 -6.699 1.00 0.00 O ATOM 1222 OXT GLY A 76 70.052 17.290 -8.011 1.00 0.00 O ATOM 0 H GLY A 76 70.821 16.143 -4.309 1.00 0.00 H new ATOM 0 HA2 GLY A 76 69.965 18.654 -5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 76 71.395 17.708 -5.893 1.00 0.00 H new TER 1226 GLY A 76