USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 522 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 31 GLN : amide:sc= -11! C(o=-19!,f=-12!) USER MOD Set 1.2: A 41 GLN : amide:sc= -7.54! C(o=-19!,f=-15!) USER MOD Single : A 1 MET CE :methyl 143:sc= -2.67 (180deg=-5.68!) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.0173 (180deg=-0.233) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -130:sc= -2.33! USER MOD Single : A 9 THR OG1 : rot 8:sc= 0.868 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0923 X(o=-0.092,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.85! K(o=-1.8!,f=-0.7) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 137:sc= -0.699 USER MOD Single : A 57 SER OG : rot -118:sc= 1.16 USER MOD Single : A 59 TYR OH : rot 15:sc= -1.17! USER MOD Single : A 60 ASN : amide:sc= -2.54! C(o=-2.5!,f=-2!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -19:sc= -1.52 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.326 USER MOD Single : A 68 HIS : no HD1:sc= -0.923 K(o=-0.92,f=-0.042) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.581 -8.668 9.955 1.00 0.00 N ATOM 2 CA MET A 1 0.568 -7.946 9.438 1.00 0.00 C ATOM 3 C MET A 1 0.376 -6.435 9.581 1.00 0.00 C ATOM 4 O MET A 1 -0.730 -5.926 9.405 1.00 0.00 O ATOM 5 CB MET A 1 0.770 -8.296 7.962 1.00 0.00 C ATOM 6 CG MET A 1 -0.492 -7.996 7.149 1.00 0.00 C ATOM 7 SD MET A 1 -0.057 -7.659 5.451 1.00 0.00 S ATOM 8 CE MET A 1 0.421 -9.295 4.923 1.00 0.00 C ATOM 0 H1 MET A 1 -0.723 -9.537 9.401 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.416 -8.916 10.951 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.428 -8.069 9.883 1.00 0.00 H new ATOM 0 HA MET A 1 1.446 -8.239 10.014 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.609 -7.727 7.561 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.026 -9.351 7.867 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.176 -8.844 7.197 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.015 -7.140 7.576 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.100 -9.453 3.893 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.505 -9.395 4.985 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.049 -10.037 5.568 1.00 0.00 H new ATOM 16 N GLN A 2 1.471 -5.759 9.900 1.00 0.00 N ATOM 17 CA GLN A 2 1.437 -4.317 10.070 1.00 0.00 C ATOM 18 C GLN A 2 2.408 -3.645 9.097 1.00 0.00 C ATOM 19 O GLN A 2 3.606 -3.563 9.367 1.00 0.00 O ATOM 20 CB GLN A 2 1.753 -3.928 11.515 1.00 0.00 C ATOM 21 CG GLN A 2 0.810 -4.634 12.491 1.00 0.00 C ATOM 22 CD GLN A 2 1.071 -4.183 13.931 1.00 0.00 C ATOM 23 OE1 GLN A 2 1.857 -4.768 14.657 1.00 0.00 O ATOM 24 NE2 GLN A 2 0.371 -3.115 14.299 1.00 0.00 N ATOM 0 H GLN A 2 2.387 -6.184 10.045 1.00 0.00 H new ATOM 0 HA GLN A 2 0.429 -3.968 9.846 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.785 -4.189 11.748 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.662 -2.848 11.633 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.224 -4.421 12.221 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.943 -5.713 12.414 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.270 -2.674 13.640 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.475 -2.737 15.240 1.00 0.00 H new ATOM 31 N ILE A 3 1.857 -3.182 7.985 1.00 0.00 N ATOM 32 CA ILE A 3 2.659 -2.520 6.971 1.00 0.00 C ATOM 33 C ILE A 3 2.701 -1.019 7.260 1.00 0.00 C ATOM 34 O ILE A 3 1.968 -0.527 8.116 1.00 0.00 O ATOM 35 CB ILE A 3 2.144 -2.863 5.572 1.00 0.00 C ATOM 36 CG1 ILE A 3 0.734 -2.309 5.355 1.00 0.00 C ATOM 37 CG2 ILE A 3 2.213 -4.370 5.316 1.00 0.00 C ATOM 38 CD1 ILE A 3 0.776 -0.991 4.578 1.00 0.00 C ATOM 0 H ILE A 3 0.864 -3.252 7.764 1.00 0.00 H new ATOM 0 HA ILE A 3 3.687 -2.880 7.004 1.00 0.00 H new ATOM 0 HB ILE A 3 2.795 -2.382 4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.133 -3.037 4.810 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.249 -2.152 6.318 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.841 -4.586 4.315 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.246 -4.706 5.400 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.601 -4.892 6.051 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.239 -0.619 4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.357 -0.258 5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.240 -1.157 3.606 1.00 0.00 H new ATOM 49 N PHE A 4 3.567 -0.332 6.528 1.00 0.00 N ATOM 50 CA PHE A 4 3.714 1.104 6.696 1.00 0.00 C ATOM 51 C PHE A 4 3.594 1.828 5.352 1.00 0.00 C ATOM 52 O PHE A 4 3.481 1.189 4.307 1.00 0.00 O ATOM 53 CB PHE A 4 5.111 1.348 7.270 1.00 0.00 C ATOM 54 CG PHE A 4 5.422 0.520 8.518 1.00 0.00 C ATOM 55 CD1 PHE A 4 4.886 0.869 9.718 1.00 0.00 C ATOM 56 CD2 PHE A 4 6.237 -0.566 8.428 1.00 0.00 C ATOM 57 CE1 PHE A 4 5.175 0.100 10.876 1.00 0.00 C ATOM 58 CE2 PHE A 4 6.527 -1.335 9.586 1.00 0.00 C ATOM 59 CZ PHE A 4 5.989 -0.985 10.786 1.00 0.00 C ATOM 0 H PHE A 4 4.173 -0.743 5.818 1.00 0.00 H new ATOM 0 HA PHE A 4 2.932 1.483 7.354 1.00 0.00 H new ATOM 0 HB2 PHE A 4 5.852 1.124 6.503 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.214 2.406 7.513 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.240 1.732 9.790 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.664 -0.843 7.475 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.748 0.377 11.829 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.174 -2.197 9.514 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.209 -1.569 11.667 1.00 0.00 H new ATOM 68 N VAL A 5 3.625 3.150 5.424 1.00 0.00 N ATOM 69 CA VAL A 5 3.522 3.967 4.227 1.00 0.00 C ATOM 70 C VAL A 5 4.416 5.199 4.377 1.00 0.00 C ATOM 71 O VAL A 5 4.452 5.819 5.439 1.00 0.00 O ATOM 72 CB VAL A 5 2.057 4.320 3.958 1.00 0.00 C ATOM 73 CG1 VAL A 5 1.938 5.346 2.830 1.00 0.00 C ATOM 74 CG2 VAL A 5 1.239 3.066 3.647 1.00 0.00 C ATOM 0 H VAL A 5 3.720 3.676 6.293 1.00 0.00 H new ATOM 0 HA VAL A 5 3.874 3.414 3.356 1.00 0.00 H new ATOM 0 HB VAL A 5 1.650 4.770 4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.887 5.579 2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.471 6.255 3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.371 4.936 1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.202 3.345 3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.648 2.575 2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.283 2.383 4.495 1.00 0.00 H new ATOM 84 N LYS A 6 5.116 5.518 3.298 1.00 0.00 N ATOM 85 CA LYS A 6 6.008 6.665 3.296 1.00 0.00 C ATOM 86 C LYS A 6 5.440 7.746 2.374 1.00 0.00 C ATOM 87 O LYS A 6 5.446 7.590 1.154 1.00 0.00 O ATOM 88 CB LYS A 6 7.432 6.236 2.938 1.00 0.00 C ATOM 89 CG LYS A 6 8.379 6.430 4.125 1.00 0.00 C ATOM 90 CD LYS A 6 9.832 6.521 3.658 1.00 0.00 C ATOM 91 CE LYS A 6 10.790 6.557 4.851 1.00 0.00 C ATOM 92 NZ LYS A 6 12.147 6.136 4.437 1.00 0.00 N ATOM 0 H LYS A 6 5.083 5.002 2.419 1.00 0.00 H new ATOM 0 HA LYS A 6 6.073 7.099 4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.434 5.189 2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.787 6.816 2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.109 7.338 4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.269 5.599 4.822 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.068 5.667 3.023 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.967 7.416 3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.826 7.564 5.266 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.423 5.900 5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.785 6.166 5.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.110 5.167 4.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.500 6.779 3.700 1.00 0.00 H new ATOM 102 N THR A 7 4.966 8.817 2.991 1.00 0.00 N ATOM 103 CA THR A 7 4.396 9.923 2.241 1.00 0.00 C ATOM 104 C THR A 7 5.505 10.818 1.685 1.00 0.00 C ATOM 105 O THR A 7 6.682 10.470 1.759 1.00 0.00 O ATOM 106 CB THR A 7 3.420 10.664 3.158 1.00 0.00 C ATOM 107 OG1 THR A 7 4.262 11.426 4.018 1.00 0.00 O ATOM 108 CG2 THR A 7 2.675 9.721 4.105 1.00 0.00 C ATOM 0 H THR A 7 4.965 8.943 4.003 1.00 0.00 H new ATOM 0 HA THR A 7 3.842 9.567 1.372 1.00 0.00 H new ATOM 0 HB THR A 7 2.699 11.213 2.552 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.996 11.280 4.950 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.996 10.298 4.733 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.104 8.997 3.523 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.393 9.195 4.734 1.00 0.00 H new ATOM 116 N LEU A 8 5.089 11.951 1.140 1.00 0.00 N ATOM 117 CA LEU A 8 6.034 12.898 0.571 1.00 0.00 C ATOM 118 C LEU A 8 6.895 13.487 1.689 1.00 0.00 C ATOM 119 O LEU A 8 8.071 13.781 1.482 1.00 0.00 O ATOM 120 CB LEU A 8 5.299 13.953 -0.261 1.00 0.00 C ATOM 121 CG LEU A 8 4.827 13.506 -1.645 1.00 0.00 C ATOM 122 CD1 LEU A 8 4.105 14.642 -2.371 1.00 0.00 C ATOM 123 CD2 LEU A 8 5.989 12.946 -2.467 1.00 0.00 C ATOM 0 H LEU A 8 4.111 12.235 1.080 1.00 0.00 H new ATOM 0 HA LEU A 8 6.710 12.394 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.431 14.293 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.957 14.813 -0.384 1.00 0.00 H new ATOM 0 HG LEU A 8 4.107 12.698 -1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.780 14.298 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.237 14.952 -1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.783 15.487 -2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.625 12.636 -3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.752 13.715 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.419 12.088 -1.951 1.00 0.00 H new ATOM 134 N THR A 9 6.276 13.641 2.851 1.00 0.00 N ATOM 135 CA THR A 9 6.972 14.191 4.002 1.00 0.00 C ATOM 136 C THR A 9 7.835 13.116 4.665 1.00 0.00 C ATOM 137 O THR A 9 8.591 13.406 5.591 1.00 0.00 O ATOM 138 CB THR A 9 5.927 14.796 4.942 1.00 0.00 C ATOM 139 OG1 THR A 9 6.612 14.929 6.183 1.00 0.00 O ATOM 140 CG2 THR A 9 4.785 13.825 5.250 1.00 0.00 C ATOM 0 H THR A 9 5.301 13.395 3.020 1.00 0.00 H new ATOM 0 HA THR A 9 7.661 14.982 3.707 1.00 0.00 H new ATOM 0 HB THR A 9 5.522 15.705 4.497 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.562 14.726 6.056 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.071 14.304 5.921 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.283 13.548 4.323 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.186 12.930 5.726 1.00 0.00 H new ATOM 148 N GLY A 10 7.695 11.898 4.165 1.00 0.00 N ATOM 149 CA GLY A 10 8.453 10.778 4.697 1.00 0.00 C ATOM 150 C GLY A 10 7.711 10.118 5.862 1.00 0.00 C ATOM 151 O GLY A 10 7.968 8.961 6.189 1.00 0.00 O ATOM 0 H GLY A 10 7.068 11.661 3.396 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.626 10.045 3.909 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.431 11.123 5.033 1.00 0.00 H new ATOM 155 N LYS A 11 6.808 10.883 6.455 1.00 0.00 N ATOM 156 CA LYS A 11 6.027 10.387 7.576 1.00 0.00 C ATOM 157 C LYS A 11 5.690 8.913 7.345 1.00 0.00 C ATOM 158 O LYS A 11 5.312 8.525 6.241 1.00 0.00 O ATOM 159 CB LYS A 11 4.800 11.270 7.807 1.00 0.00 C ATOM 160 CG LYS A 11 4.607 11.564 9.296 1.00 0.00 C ATOM 161 CD LYS A 11 4.584 13.071 9.559 1.00 0.00 C ATOM 162 CE LYS A 11 3.157 13.618 9.491 1.00 0.00 C ATOM 163 NZ LYS A 11 2.899 14.535 10.623 1.00 0.00 N ATOM 0 H LYS A 11 6.599 11.843 6.181 1.00 0.00 H new ATOM 0 HA LYS A 11 6.607 10.441 8.497 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.913 12.206 7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.912 10.775 7.413 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.675 11.117 9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.412 11.104 9.869 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.011 13.279 10.540 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.208 13.581 8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.007 14.144 8.548 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.444 12.794 9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.926 14.897 10.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.022 14.023 11.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.568 15.331 10.585 1.00 0.00 H new ATOM 173 N THR A 12 5.838 8.131 8.405 1.00 0.00 N ATOM 174 CA THR A 12 5.555 6.708 8.330 1.00 0.00 C ATOM 175 C THR A 12 4.214 6.397 8.999 1.00 0.00 C ATOM 176 O THR A 12 4.060 6.577 10.205 1.00 0.00 O ATOM 177 CB THR A 12 6.733 5.958 8.955 1.00 0.00 C ATOM 178 OG1 THR A 12 7.747 6.012 7.955 1.00 0.00 O ATOM 179 CG2 THR A 12 6.453 4.463 9.120 1.00 0.00 C ATOM 0 H THR A 12 6.150 8.456 9.320 1.00 0.00 H new ATOM 0 HA THR A 12 5.453 6.378 7.296 1.00 0.00 H new ATOM 0 HB THR A 12 6.967 6.393 9.927 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.549 5.550 8.277 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.320 3.978 9.568 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.586 4.324 9.766 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.253 4.020 8.144 1.00 0.00 H new ATOM 187 N ILE A 13 3.277 5.935 8.184 1.00 0.00 N ATOM 188 CA ILE A 13 1.953 5.596 8.680 1.00 0.00 C ATOM 189 C ILE A 13 1.798 4.074 8.708 1.00 0.00 C ATOM 190 O ILE A 13 2.000 3.408 7.695 1.00 0.00 O ATOM 191 CB ILE A 13 0.876 6.310 7.863 1.00 0.00 C ATOM 192 CG1 ILE A 13 0.951 7.826 8.060 1.00 0.00 C ATOM 193 CG2 ILE A 13 -0.514 5.759 8.188 1.00 0.00 C ATOM 194 CD1 ILE A 13 2.038 8.441 7.175 1.00 0.00 C ATOM 0 H ILE A 13 3.408 5.787 7.183 1.00 0.00 H new ATOM 0 HA ILE A 13 1.828 5.948 9.704 1.00 0.00 H new ATOM 0 HB ILE A 13 1.063 6.113 6.807 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.013 8.275 7.823 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.159 8.051 9.106 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.262 6.284 7.593 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.547 4.695 7.955 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.725 5.905 9.247 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.070 9.519 7.334 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.005 8.007 7.431 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.814 8.235 6.128 1.00 0.00 H new ATOM 205 N THR A 14 1.439 3.569 9.879 1.00 0.00 N ATOM 206 CA THR A 14 1.254 2.139 10.052 1.00 0.00 C ATOM 207 C THR A 14 -0.115 1.711 9.519 1.00 0.00 C ATOM 208 O THR A 14 -1.089 2.455 9.628 1.00 0.00 O ATOM 209 CB THR A 14 1.459 1.811 11.532 1.00 0.00 C ATOM 210 OG1 THR A 14 2.559 2.630 11.919 1.00 0.00 O ATOM 211 CG2 THR A 14 1.962 0.382 11.751 1.00 0.00 C ATOM 0 H THR A 14 1.271 4.125 10.717 1.00 0.00 H new ATOM 0 HA THR A 14 1.985 1.573 9.475 1.00 0.00 H new ATOM 0 HB THR A 14 0.521 1.951 12.069 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.760 2.482 12.867 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.091 0.201 12.818 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.237 -0.325 11.348 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.917 0.251 11.243 1.00 0.00 H new ATOM 219 N LEU A 15 -0.146 0.513 8.955 1.00 0.00 N ATOM 220 CA LEU A 15 -1.380 -0.024 8.404 1.00 0.00 C ATOM 221 C LEU A 15 -1.588 -1.448 8.924 1.00 0.00 C ATOM 222 O LEU A 15 -0.640 -2.096 9.364 1.00 0.00 O ATOM 223 CB LEU A 15 -1.376 0.079 6.879 1.00 0.00 C ATOM 224 CG LEU A 15 -1.589 1.480 6.300 1.00 0.00 C ATOM 225 CD1 LEU A 15 -2.712 2.211 7.037 1.00 0.00 C ATOM 226 CD2 LEU A 15 -0.284 2.280 6.304 1.00 0.00 C ATOM 0 H LEU A 15 0.663 -0.102 8.867 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.234 0.566 8.737 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.424 -0.303 6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.155 -0.576 6.488 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.899 1.377 5.260 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.844 3.204 6.607 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.639 1.647 6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.455 2.304 8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.464 3.271 5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.080 2.377 7.327 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.462 1.763 5.701 1.00 0.00 H new ATOM 237 N GLU A 16 -2.834 -1.892 8.856 1.00 0.00 N ATOM 238 CA GLU A 16 -3.179 -3.227 9.313 1.00 0.00 C ATOM 239 C GLU A 16 -3.991 -3.962 8.244 1.00 0.00 C ATOM 240 O GLU A 16 -5.139 -4.333 8.479 1.00 0.00 O ATOM 241 CB GLU A 16 -3.940 -3.173 10.639 1.00 0.00 C ATOM 242 CG GLU A 16 -3.309 -4.109 11.673 1.00 0.00 C ATOM 243 CD GLU A 16 -4.385 -4.820 12.497 1.00 0.00 C ATOM 244 OE1 GLU A 16 -4.817 -5.905 12.052 1.00 0.00 O ATOM 245 OE2 GLU A 16 -4.752 -4.261 13.554 1.00 0.00 O ATOM 0 H GLU A 16 -3.618 -1.351 8.491 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.256 -3.781 9.484 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.941 -2.152 11.020 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.981 -3.454 10.477 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.685 -4.847 11.168 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.656 -3.539 12.334 1.00 0.00 H new ATOM 250 N VAL A 17 -3.361 -4.150 7.094 1.00 0.00 N ATOM 251 CA VAL A 17 -4.010 -4.834 5.988 1.00 0.00 C ATOM 252 C VAL A 17 -3.688 -6.328 6.059 1.00 0.00 C ATOM 253 O VAL A 17 -3.103 -6.795 7.035 1.00 0.00 O ATOM 254 CB VAL A 17 -3.595 -4.196 4.662 1.00 0.00 C ATOM 255 CG1 VAL A 17 -4.345 -2.883 4.427 1.00 0.00 C ATOM 256 CG2 VAL A 17 -2.081 -3.979 4.608 1.00 0.00 C ATOM 0 H VAL A 17 -2.408 -3.841 6.904 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.093 -4.731 6.058 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.864 -4.884 3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.031 -2.450 3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.417 -3.076 4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.121 -2.186 5.235 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.812 -3.524 3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.779 -3.321 5.422 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.572 -4.938 4.709 1.00 0.00 H new ATOM 266 N GLU A 18 -4.085 -7.037 5.012 1.00 0.00 N ATOM 267 CA GLU A 18 -3.846 -8.468 4.943 1.00 0.00 C ATOM 268 C GLU A 18 -3.155 -8.828 3.626 1.00 0.00 C ATOM 269 O GLU A 18 -3.195 -8.057 2.669 1.00 0.00 O ATOM 270 CB GLU A 18 -5.150 -9.250 5.109 1.00 0.00 C ATOM 271 CG GLU A 18 -6.286 -8.598 4.318 1.00 0.00 C ATOM 272 CD GLU A 18 -7.643 -9.175 4.728 1.00 0.00 C ATOM 273 OE1 GLU A 18 -7.640 -10.306 5.260 1.00 0.00 O ATOM 274 OE2 GLU A 18 -8.650 -8.471 4.500 1.00 0.00 O ATOM 0 H GLU A 18 -4.571 -6.646 4.205 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.186 -8.746 5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.008 -10.276 4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.418 -9.297 6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.279 -7.521 4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.128 -8.755 3.251 1.00 0.00 H new ATOM 279 N PRO A 19 -2.522 -10.031 3.619 1.00 0.00 N ATOM 280 CA PRO A 19 -1.822 -10.503 2.435 1.00 0.00 C ATOM 281 C PRO A 19 -2.811 -10.978 1.369 1.00 0.00 C ATOM 282 O PRO A 19 -2.408 -11.369 0.274 1.00 0.00 O ATOM 283 CB PRO A 19 -0.908 -11.610 2.934 1.00 0.00 C ATOM 284 CG PRO A 19 -1.462 -12.033 4.285 1.00 0.00 C ATOM 285 CD PRO A 19 -2.454 -10.972 4.734 1.00 0.00 C ATOM 0 HA PRO A 19 -1.244 -9.719 1.946 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.895 -12.449 2.238 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.119 -11.256 3.027 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.950 -13.005 4.210 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.657 -12.136 5.013 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.431 -11.407 4.945 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.121 -10.480 5.648 1.00 0.00 H new ATOM 290 N SER A 20 -4.086 -10.929 1.725 1.00 0.00 N ATOM 291 CA SER A 20 -5.135 -11.350 0.811 1.00 0.00 C ATOM 292 C SER A 20 -5.928 -10.133 0.329 1.00 0.00 C ATOM 293 O SER A 20 -6.789 -10.255 -0.541 1.00 0.00 O ATOM 294 CB SER A 20 -6.069 -12.364 1.475 1.00 0.00 C ATOM 295 OG SER A 20 -5.418 -13.607 1.724 1.00 0.00 O ATOM 0 H SER A 20 -4.417 -10.604 2.634 1.00 0.00 H new ATOM 0 HA SER A 20 -4.668 -11.834 -0.047 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.440 -11.954 2.415 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.936 -12.531 0.836 1.00 0.00 H new ATOM 0 HG SER A 20 -6.047 -14.226 2.150 1.00 0.00 H new ATOM 300 N ASP A 21 -5.610 -8.989 0.917 1.00 0.00 N ATOM 301 CA ASP A 21 -6.282 -7.751 0.557 1.00 0.00 C ATOM 302 C ASP A 21 -5.721 -7.239 -0.771 1.00 0.00 C ATOM 303 O ASP A 21 -4.962 -7.938 -1.439 1.00 0.00 O ATOM 304 CB ASP A 21 -6.051 -6.672 1.617 1.00 0.00 C ATOM 305 CG ASP A 21 -7.254 -6.382 2.516 1.00 0.00 C ATOM 306 OD1 ASP A 21 -8.333 -6.937 2.218 1.00 0.00 O ATOM 307 OD2 ASP A 21 -7.066 -5.611 3.483 1.00 0.00 O ATOM 0 H ASP A 21 -4.897 -8.893 1.640 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.350 -7.956 0.478 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.212 -6.974 2.244 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.759 -5.749 1.117 1.00 0.00 H new ATOM 311 N THR A 22 -6.118 -6.021 -1.114 1.00 0.00 N ATOM 312 CA THR A 22 -5.664 -5.407 -2.349 1.00 0.00 C ATOM 313 C THR A 22 -5.008 -4.055 -2.064 1.00 0.00 C ATOM 314 O THR A 22 -5.112 -3.533 -0.955 1.00 0.00 O ATOM 315 CB THR A 22 -6.861 -5.314 -3.298 1.00 0.00 C ATOM 316 OG1 THR A 22 -7.283 -6.665 -3.458 1.00 0.00 O ATOM 317 CG2 THR A 22 -6.458 -4.879 -4.709 1.00 0.00 C ATOM 0 H THR A 22 -6.749 -5.444 -0.557 1.00 0.00 H new ATOM 0 HA THR A 22 -4.894 -6.010 -2.831 1.00 0.00 H new ATOM 0 HB THR A 22 -7.589 -4.610 -2.896 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.057 -6.697 -4.058 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.344 -4.829 -5.341 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.987 -3.897 -4.666 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.755 -5.601 -5.125 1.00 0.00 H new ATOM 325 N ILE A 23 -4.348 -3.526 -3.083 1.00 0.00 N ATOM 326 CA ILE A 23 -3.675 -2.245 -2.955 1.00 0.00 C ATOM 327 C ILE A 23 -4.718 -1.147 -2.731 1.00 0.00 C ATOM 328 O ILE A 23 -4.592 -0.345 -1.806 1.00 0.00 O ATOM 329 CB ILE A 23 -2.767 -1.993 -4.159 1.00 0.00 C ATOM 330 CG1 ILE A 23 -1.515 -2.871 -4.095 1.00 0.00 C ATOM 331 CG2 ILE A 23 -2.420 -0.508 -4.285 1.00 0.00 C ATOM 332 CD1 ILE A 23 -0.790 -2.694 -2.759 1.00 0.00 C ATOM 0 H ILE A 23 -4.265 -3.961 -4.002 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.018 -2.245 -2.085 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.311 -2.273 -5.061 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.793 -3.917 -4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.844 -2.614 -4.914 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.773 -0.358 -5.149 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.335 0.070 -4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.904 -0.177 -3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.096 -3.329 -2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.493 -1.652 -2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.456 -2.975 -1.943 1.00 0.00 H new ATOM 343 N GLU A 24 -5.723 -1.145 -3.594 1.00 0.00 N ATOM 344 CA GLU A 24 -6.786 -0.159 -3.502 1.00 0.00 C ATOM 345 C GLU A 24 -7.399 -0.169 -2.100 1.00 0.00 C ATOM 346 O GLU A 24 -7.975 0.827 -1.664 1.00 0.00 O ATOM 347 CB GLU A 24 -7.855 -0.403 -4.570 1.00 0.00 C ATOM 348 CG GLU A 24 -8.646 -1.678 -4.272 1.00 0.00 C ATOM 349 CD GLU A 24 -9.997 -1.666 -4.991 1.00 0.00 C ATOM 350 OE1 GLU A 24 -10.003 -2.015 -6.192 1.00 0.00 O ATOM 351 OE2 GLU A 24 -10.992 -1.308 -4.325 1.00 0.00 O ATOM 0 H GLU A 24 -5.824 -1.811 -4.360 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.357 0.827 -3.683 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.534 0.449 -4.612 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.384 -0.484 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.071 -2.549 -4.586 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.803 -1.770 -3.197 1.00 0.00 H new ATOM 356 N ASN A 25 -7.255 -1.304 -1.434 1.00 0.00 N ATOM 357 CA ASN A 25 -7.787 -1.456 -0.090 1.00 0.00 C ATOM 358 C ASN A 25 -6.836 -0.795 0.909 1.00 0.00 C ATOM 359 O ASN A 25 -7.270 -0.290 1.943 1.00 0.00 O ATOM 360 CB ASN A 25 -7.917 -2.933 0.286 1.00 0.00 C ATOM 361 CG ASN A 25 -9.374 -3.396 0.200 1.00 0.00 C ATOM 362 OD1 ASN A 25 -10.029 -3.657 1.196 1.00 0.00 O ATOM 363 ND2 ASN A 25 -9.841 -3.481 -1.042 1.00 0.00 N ATOM 0 H ASN A 25 -6.778 -2.128 -1.799 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.771 -0.988 -0.062 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.300 -3.537 -0.380 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.541 -3.089 1.297 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.802 -3.780 -1.206 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.238 -3.247 -1.831 1.00 0.00 H new ATOM 369 N VAL A 26 -5.558 -0.819 0.564 1.00 0.00 N ATOM 370 CA VAL A 26 -4.541 -0.229 1.419 1.00 0.00 C ATOM 371 C VAL A 26 -4.643 1.296 1.345 1.00 0.00 C ATOM 372 O VAL A 26 -4.730 1.966 2.373 1.00 0.00 O ATOM 373 CB VAL A 26 -3.159 -0.755 1.028 1.00 0.00 C ATOM 374 CG1 VAL A 26 -2.056 -0.021 1.793 1.00 0.00 C ATOM 375 CG2 VAL A 26 -3.065 -2.267 1.248 1.00 0.00 C ATOM 0 H VAL A 26 -5.203 -1.237 -0.296 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.701 -0.517 2.458 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.016 -0.561 -0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.084 -0.414 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.102 1.044 1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.196 -0.169 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.072 -2.615 0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.240 -2.493 2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.816 -2.771 0.639 1.00 0.00 H new ATOM 385 N LYS A 27 -4.628 1.800 0.120 1.00 0.00 N ATOM 386 CA LYS A 27 -4.717 3.233 -0.101 1.00 0.00 C ATOM 387 C LYS A 27 -5.962 3.777 0.604 1.00 0.00 C ATOM 388 O LYS A 27 -5.904 4.817 1.259 1.00 0.00 O ATOM 389 CB LYS A 27 -4.672 3.548 -1.598 1.00 0.00 C ATOM 390 CG LYS A 27 -3.364 3.057 -2.222 1.00 0.00 C ATOM 391 CD LYS A 27 -3.578 2.628 -3.674 1.00 0.00 C ATOM 392 CE LYS A 27 -3.658 3.845 -4.600 1.00 0.00 C ATOM 393 NZ LYS A 27 -3.622 3.421 -6.017 1.00 0.00 N ATOM 0 H LYS A 27 -4.556 1.241 -0.730 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.856 3.740 0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.518 3.076 -2.098 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.771 4.623 -1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.616 3.849 -2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.974 2.219 -1.645 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.761 1.980 -3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.496 2.045 -3.753 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.576 4.399 -4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.827 4.521 -4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.677 4.258 -6.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.735 2.912 -6.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.429 2.794 -6.212 1.00 0.00 H new ATOM 403 N ALA A 28 -7.057 3.049 0.447 1.00 0.00 N ATOM 404 CA ALA A 28 -8.314 3.445 1.061 1.00 0.00 C ATOM 405 C ALA A 28 -8.083 3.733 2.545 1.00 0.00 C ATOM 406 O ALA A 28 -8.750 4.588 3.126 1.00 0.00 O ATOM 407 CB ALA A 28 -9.359 2.351 0.835 1.00 0.00 C ATOM 0 H ALA A 28 -7.101 2.187 -0.096 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.694 4.358 0.603 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.302 2.648 1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.508 2.205 -0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.013 1.420 1.283 1.00 0.00 H new ATOM 413 N LYS A 29 -7.136 3.004 3.117 1.00 0.00 N ATOM 414 CA LYS A 29 -6.808 3.171 4.522 1.00 0.00 C ATOM 415 C LYS A 29 -5.958 4.432 4.697 1.00 0.00 C ATOM 416 O LYS A 29 -6.034 5.098 5.729 1.00 0.00 O ATOM 417 CB LYS A 29 -6.150 1.905 5.073 1.00 0.00 C ATOM 418 CG LYS A 29 -7.191 0.816 5.335 1.00 0.00 C ATOM 419 CD LYS A 29 -6.559 -0.392 6.031 1.00 0.00 C ATOM 420 CE LYS A 29 -7.450 -1.628 5.902 1.00 0.00 C ATOM 421 NZ LYS A 29 -7.770 -2.179 7.237 1.00 0.00 N ATOM 0 H LYS A 29 -6.585 2.296 2.632 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.715 3.313 5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.407 1.539 4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.622 2.138 5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.994 1.217 5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.640 0.503 4.392 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.581 -0.597 5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.396 -0.165 7.085 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.371 -1.367 5.380 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.946 -2.385 5.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.376 -3.018 7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.890 -2.447 7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.270 -1.460 7.799 1.00 0.00 H new ATOM 431 N ILE A 30 -5.168 4.721 3.674 1.00 0.00 N ATOM 432 CA ILE A 30 -4.306 5.890 3.701 1.00 0.00 C ATOM 433 C ILE A 30 -5.158 7.152 3.556 1.00 0.00 C ATOM 434 O ILE A 30 -4.730 8.242 3.933 1.00 0.00 O ATOM 435 CB ILE A 30 -3.204 5.768 2.647 1.00 0.00 C ATOM 436 CG1 ILE A 30 -2.612 4.357 2.633 1.00 0.00 C ATOM 437 CG2 ILE A 30 -2.129 6.838 2.849 1.00 0.00 C ATOM 438 CD1 ILE A 30 -2.148 3.943 4.031 1.00 0.00 C ATOM 0 H ILE A 30 -5.107 4.166 2.821 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.792 5.961 4.660 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.649 5.941 1.667 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.357 3.650 2.269 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.771 4.318 1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.358 6.728 2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.580 7.827 2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.682 6.722 3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.732 2.936 3.993 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.385 4.638 4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.996 3.959 4.715 1.00 0.00 H new ATOM 449 N GLN A 31 -6.350 6.963 3.008 1.00 0.00 N ATOM 450 CA GLN A 31 -7.266 8.072 2.808 1.00 0.00 C ATOM 451 C GLN A 31 -7.729 8.628 4.157 1.00 0.00 C ATOM 452 O GLN A 31 -7.655 9.832 4.394 1.00 0.00 O ATOM 453 CB GLN A 31 -8.461 7.648 1.951 1.00 0.00 C ATOM 454 CG GLN A 31 -8.192 7.912 0.468 1.00 0.00 C ATOM 455 CD GLN A 31 -7.244 6.861 -0.113 1.00 0.00 C ATOM 456 OE1 GLN A 31 -7.655 5.870 -0.693 1.00 0.00 O ATOM 457 NE2 GLN A 31 -5.956 7.132 0.077 1.00 0.00 N ATOM 0 H GLN A 31 -6.702 6.058 2.696 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.739 8.862 2.273 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.666 6.588 2.104 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.351 8.193 2.266 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.132 7.903 -0.083 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.760 8.905 0.344 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.681 7.981 0.572 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.243 6.491 -0.272 1.00 0.00 H new ATOM 464 N ASP A 32 -8.197 7.723 5.004 1.00 0.00 N ATOM 465 CA ASP A 32 -8.672 8.108 6.323 1.00 0.00 C ATOM 466 C ASP A 32 -7.478 8.246 7.269 1.00 0.00 C ATOM 467 O ASP A 32 -7.343 9.255 7.961 1.00 0.00 O ATOM 468 CB ASP A 32 -9.613 7.048 6.900 1.00 0.00 C ATOM 469 CG ASP A 32 -10.892 7.597 7.537 1.00 0.00 C ATOM 470 OD1 ASP A 32 -11.112 8.820 7.403 1.00 0.00 O ATOM 471 OD2 ASP A 32 -11.619 6.781 8.143 1.00 0.00 O ATOM 0 H ASP A 32 -8.258 6.725 4.803 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.208 9.052 6.227 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.889 6.357 6.104 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.071 6.471 7.649 1.00 0.00 H new ATOM 475 N LYS A 33 -6.642 7.219 7.271 1.00 0.00 N ATOM 476 CA LYS A 33 -5.464 7.213 8.121 1.00 0.00 C ATOM 477 C LYS A 33 -4.869 8.622 8.170 1.00 0.00 C ATOM 478 O LYS A 33 -4.574 9.138 9.246 1.00 0.00 O ATOM 479 CB LYS A 33 -4.473 6.143 7.657 1.00 0.00 C ATOM 480 CG LYS A 33 -4.950 4.744 8.059 1.00 0.00 C ATOM 481 CD LYS A 33 -4.652 4.467 9.533 1.00 0.00 C ATOM 482 CE LYS A 33 -5.904 4.665 10.391 1.00 0.00 C ATOM 483 NZ LYS A 33 -6.410 3.363 10.880 1.00 0.00 N ATOM 0 H LYS A 33 -6.757 6.384 6.697 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.733 6.944 9.142 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.357 6.195 6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.493 6.336 8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.021 4.655 7.878 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.458 3.996 7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.285 3.447 9.648 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.860 5.132 9.879 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.673 5.313 11.237 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.676 5.166 9.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.259 3.516 11.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.649 2.757 10.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.677 2.899 11.455 1.00 0.00 H new ATOM 493 N GLU A 34 -4.711 9.203 6.990 1.00 0.00 N ATOM 494 CA GLU A 34 -4.155 10.543 6.885 1.00 0.00 C ATOM 495 C GLU A 34 -5.276 11.567 6.688 1.00 0.00 C ATOM 496 O GLU A 34 -5.130 12.730 7.060 1.00 0.00 O ATOM 497 CB GLU A 34 -3.133 10.625 5.751 1.00 0.00 C ATOM 498 CG GLU A 34 -1.710 10.737 6.302 1.00 0.00 C ATOM 499 CD GLU A 34 -1.219 12.185 6.262 1.00 0.00 C ATOM 500 OE1 GLU A 34 -0.924 12.653 5.142 1.00 0.00 O ATOM 501 OE2 GLU A 34 -1.150 12.792 7.353 1.00 0.00 O ATOM 0 H GLU A 34 -4.958 8.772 6.099 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.636 10.775 7.815 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.214 9.740 5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.352 11.487 5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.683 10.368 7.327 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.040 10.106 5.719 1.00 0.00 H new ATOM 506 N GLY A 35 -6.368 11.098 6.104 1.00 0.00 N ATOM 507 CA GLY A 35 -7.512 11.958 5.853 1.00 0.00 C ATOM 508 C GLY A 35 -7.389 12.652 4.495 1.00 0.00 C ATOM 509 O GLY A 35 -8.064 13.648 4.240 1.00 0.00 O ATOM 0 H GLY A 35 -6.485 10.132 5.797 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.428 11.368 5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.589 12.706 6.642 1.00 0.00 H new ATOM 513 N ILE A 36 -6.523 12.098 3.660 1.00 0.00 N ATOM 514 CA ILE A 36 -6.303 12.652 2.335 1.00 0.00 C ATOM 515 C ILE A 36 -7.154 11.887 1.320 1.00 0.00 C ATOM 516 O ILE A 36 -7.412 10.697 1.492 1.00 0.00 O ATOM 517 CB ILE A 36 -4.810 12.663 2.000 1.00 0.00 C ATOM 518 CG1 ILE A 36 -4.121 13.889 2.602 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.586 12.565 0.489 1.00 0.00 C ATOM 520 CD1 ILE A 36 -2.895 13.482 3.421 1.00 0.00 C ATOM 0 H ILE A 36 -5.965 11.271 3.875 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.622 13.694 2.300 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.353 11.783 2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.821 14.570 1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.823 14.430 3.236 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.517 12.575 0.278 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.021 11.638 0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.061 13.413 -0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.424 14.372 3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.202 12.821 4.231 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.184 12.962 2.778 1.00 0.00 H new ATOM 531 N PRO A 37 -7.579 12.621 0.257 1.00 0.00 N ATOM 532 CA PRO A 37 -8.397 12.025 -0.785 1.00 0.00 C ATOM 533 C PRO A 37 -7.556 11.129 -1.697 1.00 0.00 C ATOM 534 O PRO A 37 -6.367 11.376 -1.890 1.00 0.00 O ATOM 535 CB PRO A 37 -9.019 13.203 -1.519 1.00 0.00 C ATOM 536 CG PRO A 37 -8.168 14.412 -1.164 1.00 0.00 C ATOM 537 CD PRO A 37 -7.294 14.033 0.021 1.00 0.00 C ATOM 0 HA PRO A 37 -9.170 11.367 -0.388 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.026 13.033 -2.596 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.055 13.351 -1.213 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.552 14.709 -2.013 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.800 15.264 -0.915 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.238 14.192 -0.199 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.532 14.636 0.897 1.00 0.00 H new ATOM 542 N PRO A 38 -8.224 10.080 -2.247 1.00 0.00 N ATOM 543 CA PRO A 38 -7.552 9.146 -3.134 1.00 0.00 C ATOM 544 C PRO A 38 -7.322 9.767 -4.512 1.00 0.00 C ATOM 545 O PRO A 38 -6.775 9.121 -5.405 1.00 0.00 O ATOM 546 CB PRO A 38 -8.456 7.925 -3.176 1.00 0.00 C ATOM 547 CG PRO A 38 -9.816 8.394 -2.689 1.00 0.00 C ATOM 548 CD PRO A 38 -9.634 9.757 -2.041 1.00 0.00 C ATOM 0 HA PRO A 38 -6.556 8.876 -2.784 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.521 7.522 -4.187 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.067 7.129 -2.540 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.518 8.457 -3.520 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.231 7.684 -1.974 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.282 10.503 -2.500 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.883 9.728 -0.980 1.00 0.00 H new ATOM 553 N ASP A 39 -7.751 11.015 -4.644 1.00 0.00 N ATOM 554 CA ASP A 39 -7.598 11.730 -5.899 1.00 0.00 C ATOM 555 C ASP A 39 -6.112 11.988 -6.156 1.00 0.00 C ATOM 556 O ASP A 39 -5.677 12.038 -7.306 1.00 0.00 O ATOM 557 CB ASP A 39 -8.311 13.083 -5.852 1.00 0.00 C ATOM 558 CG ASP A 39 -8.701 13.656 -7.215 1.00 0.00 C ATOM 559 OD1 ASP A 39 -7.949 13.392 -8.178 1.00 0.00 O ATOM 560 OD2 ASP A 39 -9.743 14.345 -7.265 1.00 0.00 O ATOM 0 H ASP A 39 -8.204 11.548 -3.902 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.033 11.120 -6.690 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.212 12.981 -5.246 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.665 13.800 -5.345 1.00 0.00 H new ATOM 564 N GLN A 40 -5.374 12.144 -5.067 1.00 0.00 N ATOM 565 CA GLN A 40 -3.946 12.396 -5.161 1.00 0.00 C ATOM 566 C GLN A 40 -3.173 11.402 -4.291 1.00 0.00 C ATOM 567 O GLN A 40 -2.290 11.793 -3.530 1.00 0.00 O ATOM 568 CB GLN A 40 -3.616 13.838 -4.770 1.00 0.00 C ATOM 569 CG GLN A 40 -4.632 14.814 -5.367 1.00 0.00 C ATOM 570 CD GLN A 40 -5.126 15.805 -4.311 1.00 0.00 C ATOM 571 OE1 GLN A 40 -4.990 17.010 -4.442 1.00 0.00 O ATOM 572 NE2 GLN A 40 -5.704 15.232 -3.259 1.00 0.00 N ATOM 0 H GLN A 40 -5.738 12.101 -4.115 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.640 12.256 -6.198 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.611 13.932 -3.684 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.615 14.093 -5.117 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.177 15.357 -6.196 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.478 14.260 -5.775 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.786 14.216 -3.212 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.066 15.808 -2.499 1.00 0.00 H new ATOM 579 N GLN A 41 -3.535 10.136 -4.434 1.00 0.00 N ATOM 580 CA GLN A 41 -2.887 9.082 -3.670 1.00 0.00 C ATOM 581 C GLN A 41 -2.354 7.997 -4.608 1.00 0.00 C ATOM 582 O GLN A 41 -2.967 7.702 -5.634 1.00 0.00 O ATOM 583 CB GLN A 41 -3.843 8.489 -2.634 1.00 0.00 C ATOM 584 CG GLN A 41 -4.029 9.442 -1.451 1.00 0.00 C ATOM 585 CD GLN A 41 -3.619 8.773 -0.138 1.00 0.00 C ATOM 586 OE1 GLN A 41 -2.674 8.003 -0.072 1.00 0.00 O ATOM 587 NE2 GLN A 41 -4.379 9.109 0.900 1.00 0.00 N ATOM 0 H GLN A 41 -4.268 9.816 -5.067 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.044 9.516 -3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.808 8.287 -3.098 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.454 7.535 -2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.433 10.341 -1.607 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.071 9.756 -1.393 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.155 9.759 0.775 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.186 8.716 1.821 1.00 0.00 H new ATOM 594 N ARG A 42 -1.219 7.433 -4.225 1.00 0.00 N ATOM 595 CA ARG A 42 -0.597 6.388 -5.020 1.00 0.00 C ATOM 596 C ARG A 42 0.384 5.583 -4.164 1.00 0.00 C ATOM 597 O ARG A 42 1.500 6.032 -3.904 1.00 0.00 O ATOM 598 CB ARG A 42 0.148 6.977 -6.219 1.00 0.00 C ATOM 599 CG ARG A 42 0.849 5.879 -7.022 1.00 0.00 C ATOM 600 CD ARG A 42 1.220 6.375 -8.421 1.00 0.00 C ATOM 601 NE ARG A 42 2.425 7.232 -8.352 1.00 0.00 N ATOM 602 CZ ARG A 42 2.768 8.124 -9.290 1.00 0.00 C ATOM 603 NH1 ARG A 42 1.999 8.283 -10.376 1.00 0.00 N ATOM 604 NH2 ARG A 42 3.879 8.858 -9.144 1.00 0.00 N ATOM 0 H ARG A 42 -0.713 7.680 -3.374 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.389 5.734 -5.385 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.553 7.511 -6.861 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.882 7.705 -5.874 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.748 5.557 -6.496 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.197 5.009 -7.102 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.405 5.526 -9.079 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.389 6.936 -8.849 1.00 0.00 H new ATOM 0 HE ARG A 42 3.033 7.137 -7.538 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.153 7.725 -10.488 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.260 8.962 -11.091 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.465 8.738 -8.318 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.139 9.537 -9.859 1.00 0.00 H new ATOM 615 N LEU A 43 -0.067 4.409 -3.749 1.00 0.00 N ATOM 616 CA LEU A 43 0.757 3.538 -2.928 1.00 0.00 C ATOM 617 C LEU A 43 1.720 2.758 -3.826 1.00 0.00 C ATOM 618 O LEU A 43 1.297 2.118 -4.788 1.00 0.00 O ATOM 619 CB LEU A 43 -0.119 2.646 -2.046 1.00 0.00 C ATOM 620 CG LEU A 43 -0.413 3.174 -0.641 1.00 0.00 C ATOM 621 CD1 LEU A 43 -1.203 2.151 0.176 1.00 0.00 C ATOM 622 CD2 LEU A 43 0.876 3.599 0.066 1.00 0.00 C ATOM 0 H LEU A 43 -0.993 4.040 -3.966 1.00 0.00 H new ATOM 0 HA LEU A 43 1.366 4.127 -2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.068 2.483 -2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.364 1.673 -1.953 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.038 4.062 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.398 2.552 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.149 1.940 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.625 1.231 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.639 3.970 1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.546 2.743 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.363 4.387 -0.508 1.00 0.00 H new ATOM 633 N ILE A 44 2.997 2.838 -3.480 1.00 0.00 N ATOM 634 CA ILE A 44 4.023 2.148 -4.243 1.00 0.00 C ATOM 635 C ILE A 44 4.856 1.278 -3.299 1.00 0.00 C ATOM 636 O ILE A 44 5.112 1.662 -2.159 1.00 0.00 O ATOM 637 CB ILE A 44 4.853 3.148 -5.051 1.00 0.00 C ATOM 638 CG1 ILE A 44 4.202 3.433 -6.406 1.00 0.00 C ATOM 639 CG2 ILE A 44 6.298 2.668 -5.199 1.00 0.00 C ATOM 640 CD1 ILE A 44 5.216 4.022 -7.389 1.00 0.00 C ATOM 0 H ILE A 44 3.344 3.370 -2.682 1.00 0.00 H new ATOM 0 HA ILE A 44 3.569 1.480 -4.975 1.00 0.00 H new ATOM 0 HB ILE A 44 4.881 4.090 -4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.787 2.512 -6.815 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.371 4.127 -6.276 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.866 3.397 -5.777 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.748 2.558 -4.212 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.311 1.707 -5.713 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.727 4.215 -8.344 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.611 4.955 -6.988 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.033 3.316 -7.536 1.00 0.00 H new ATOM 651 N PHE A 45 5.255 0.122 -3.810 1.00 0.00 N ATOM 652 CA PHE A 45 6.053 -0.806 -3.026 1.00 0.00 C ATOM 653 C PHE A 45 7.389 -1.095 -3.714 1.00 0.00 C ATOM 654 O PHE A 45 7.456 -1.176 -4.940 1.00 0.00 O ATOM 655 CB PHE A 45 5.254 -2.106 -2.922 1.00 0.00 C ATOM 656 CG PHE A 45 5.786 -3.080 -1.869 1.00 0.00 C ATOM 657 CD1 PHE A 45 6.071 -2.637 -0.616 1.00 0.00 C ATOM 658 CD2 PHE A 45 5.972 -4.390 -2.187 1.00 0.00 C ATOM 659 CE1 PHE A 45 6.564 -3.542 0.362 1.00 0.00 C ATOM 660 CE2 PHE A 45 6.465 -5.294 -1.209 1.00 0.00 C ATOM 661 CZ PHE A 45 6.750 -4.850 0.045 1.00 0.00 C ATOM 0 H PHE A 45 5.041 -0.193 -4.756 1.00 0.00 H new ATOM 0 HA PHE A 45 6.264 -0.380 -2.045 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.217 -1.865 -2.689 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.256 -2.600 -3.893 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.923 -1.597 -0.364 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.745 -4.742 -3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.791 -3.190 1.358 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.614 -6.334 -1.461 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.124 -5.538 0.789 1.00 0.00 H new ATOM 670 N ALA A 46 8.420 -1.243 -2.895 1.00 0.00 N ATOM 671 CA ALA A 46 9.749 -1.522 -3.408 1.00 0.00 C ATOM 672 C ALA A 46 9.998 -0.672 -4.657 1.00 0.00 C ATOM 673 O ALA A 46 10.533 -1.164 -5.650 1.00 0.00 O ATOM 674 CB ALA A 46 9.886 -3.021 -3.686 1.00 0.00 C ATOM 0 H ALA A 46 8.361 -1.175 -1.879 1.00 0.00 H new ATOM 0 HA ALA A 46 10.508 -1.257 -2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.884 -3.230 -4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.730 -3.578 -2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.142 -3.324 -4.423 1.00 0.00 H new ATOM 680 N GLY A 47 9.599 0.587 -4.565 1.00 0.00 N ATOM 681 CA GLY A 47 9.771 1.509 -5.674 1.00 0.00 C ATOM 682 C GLY A 47 9.230 0.911 -6.975 1.00 0.00 C ATOM 683 O GLY A 47 9.871 1.007 -8.020 1.00 0.00 O ATOM 0 H GLY A 47 9.157 0.991 -3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.255 2.444 -5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.828 1.748 -5.792 1.00 0.00 H new ATOM 687 N LYS A 48 8.056 0.307 -6.867 1.00 0.00 N ATOM 688 CA LYS A 48 7.422 -0.307 -8.021 1.00 0.00 C ATOM 689 C LYS A 48 5.946 0.095 -8.061 1.00 0.00 C ATOM 690 O LYS A 48 5.309 0.233 -7.017 1.00 0.00 O ATOM 691 CB LYS A 48 7.647 -1.820 -8.015 1.00 0.00 C ATOM 692 CG LYS A 48 6.704 -2.511 -7.028 1.00 0.00 C ATOM 693 CD LYS A 48 5.826 -3.543 -7.738 1.00 0.00 C ATOM 694 CE LYS A 48 6.335 -4.963 -7.484 1.00 0.00 C ATOM 695 NZ LYS A 48 6.996 -5.501 -8.695 1.00 0.00 N ATOM 0 H LYS A 48 7.527 0.230 -5.998 1.00 0.00 H new ATOM 0 HA LYS A 48 7.877 0.056 -8.943 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.487 -2.219 -9.017 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.681 -2.036 -7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.285 -3.000 -6.246 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.074 -1.767 -6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.798 -3.453 -7.388 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.817 -3.342 -8.809 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.037 -4.960 -6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.504 -5.608 -7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.336 -6.466 -8.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.316 -5.522 -9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.801 -4.894 -8.950 1.00 0.00 H new ATOM 705 N GLN A 49 5.446 0.271 -9.275 1.00 0.00 N ATOM 706 CA GLN A 49 4.057 0.654 -9.463 1.00 0.00 C ATOM 707 C GLN A 49 3.128 -0.451 -8.957 1.00 0.00 C ATOM 708 O GLN A 49 3.353 -1.630 -9.227 1.00 0.00 O ATOM 709 CB GLN A 49 3.772 0.979 -10.932 1.00 0.00 C ATOM 710 CG GLN A 49 3.974 2.469 -11.212 1.00 0.00 C ATOM 711 CD GLN A 49 2.682 3.110 -11.724 1.00 0.00 C ATOM 712 OE1 GLN A 49 2.495 3.330 -12.909 1.00 0.00 O ATOM 713 NE2 GLN A 49 1.804 3.396 -10.766 1.00 0.00 N ATOM 0 H GLN A 49 5.977 0.156 -10.138 1.00 0.00 H new ATOM 0 HA GLN A 49 3.868 1.556 -8.881 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.430 0.392 -11.572 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.749 0.694 -11.180 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.299 2.973 -10.302 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.766 2.600 -11.949 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.024 3.185 -9.793 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.910 3.826 -11.005 1.00 0.00 H new ATOM 720 N LEU A 50 2.102 -0.030 -8.229 1.00 0.00 N ATOM 721 CA LEU A 50 1.139 -0.970 -7.682 1.00 0.00 C ATOM 722 C LEU A 50 -0.177 -0.852 -8.455 1.00 0.00 C ATOM 723 O LEU A 50 -0.472 0.195 -9.028 1.00 0.00 O ATOM 724 CB LEU A 50 0.987 -0.763 -6.174 1.00 0.00 C ATOM 725 CG LEU A 50 1.762 -1.735 -5.282 1.00 0.00 C ATOM 726 CD1 LEU A 50 3.039 -2.214 -5.975 1.00 0.00 C ATOM 727 CD2 LEU A 50 2.050 -1.114 -3.914 1.00 0.00 C ATOM 0 H LEU A 50 1.918 0.948 -8.006 1.00 0.00 H new ATOM 0 HA LEU A 50 1.492 -1.994 -7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.304 0.252 -5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.071 -0.835 -5.922 1.00 0.00 H new ATOM 0 HG LEU A 50 1.139 -2.613 -5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.572 -2.904 -5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.780 -2.722 -6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.676 -1.358 -6.195 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.602 -1.826 -3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.644 -0.209 -4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.110 -0.864 -3.423 1.00 0.00 H new ATOM 738 N GLU A 51 -0.931 -1.941 -8.445 1.00 0.00 N ATOM 739 CA GLU A 51 -2.209 -1.972 -9.137 1.00 0.00 C ATOM 740 C GLU A 51 -3.330 -2.352 -8.167 1.00 0.00 C ATOM 741 O GLU A 51 -3.099 -3.077 -7.199 1.00 0.00 O ATOM 742 CB GLU A 51 -2.164 -2.934 -10.326 1.00 0.00 C ATOM 743 CG GLU A 51 -1.111 -2.497 -11.346 1.00 0.00 C ATOM 744 CD GLU A 51 -0.573 -3.697 -12.128 1.00 0.00 C ATOM 745 OE1 GLU A 51 -1.410 -4.407 -12.725 1.00 0.00 O ATOM 746 OE2 GLU A 51 0.664 -3.875 -12.112 1.00 0.00 O ATOM 0 H GLU A 51 -0.682 -2.808 -7.969 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.414 -0.974 -9.525 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.939 -3.941 -9.975 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.143 -2.974 -10.803 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.546 -1.774 -12.036 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.290 -1.995 -10.834 1.00 0.00 H new ATOM 751 N ASP A 52 -4.519 -1.847 -8.458 1.00 0.00 N ATOM 752 CA ASP A 52 -5.675 -2.123 -7.624 1.00 0.00 C ATOM 753 C ASP A 52 -6.203 -3.524 -7.940 1.00 0.00 C ATOM 754 O ASP A 52 -7.146 -3.993 -7.305 1.00 0.00 O ATOM 755 CB ASP A 52 -6.801 -1.123 -7.894 1.00 0.00 C ATOM 756 CG ASP A 52 -6.452 0.338 -7.599 1.00 0.00 C ATOM 757 OD1 ASP A 52 -5.642 0.552 -6.673 1.00 0.00 O ATOM 758 OD2 ASP A 52 -7.005 1.207 -8.308 1.00 0.00 O ATOM 0 H ASP A 52 -4.707 -1.247 -9.261 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.365 -2.045 -6.582 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.098 -1.206 -8.940 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.667 -1.403 -7.294 1.00 0.00 H new ATOM 762 N GLY A 53 -5.569 -4.153 -8.919 1.00 0.00 N ATOM 763 CA GLY A 53 -5.964 -5.491 -9.326 1.00 0.00 C ATOM 764 C GLY A 53 -5.041 -6.546 -8.711 1.00 0.00 C ATOM 765 O GLY A 53 -5.413 -7.713 -8.599 1.00 0.00 O ATOM 0 H GLY A 53 -4.786 -3.761 -9.442 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.993 -5.679 -9.019 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.936 -5.567 -10.413 1.00 0.00 H new ATOM 769 N ARG A 54 -3.855 -6.096 -8.327 1.00 0.00 N ATOM 770 CA ARG A 54 -2.877 -6.986 -7.725 1.00 0.00 C ATOM 771 C ARG A 54 -3.210 -7.222 -6.250 1.00 0.00 C ATOM 772 O ARG A 54 -4.278 -6.834 -5.783 1.00 0.00 O ATOM 773 CB ARG A 54 -1.465 -6.407 -7.836 1.00 0.00 C ATOM 774 CG ARG A 54 -0.713 -7.018 -9.020 1.00 0.00 C ATOM 775 CD ARG A 54 -0.409 -8.497 -8.773 1.00 0.00 C ATOM 776 NE ARG A 54 0.250 -9.084 -9.961 1.00 0.00 N ATOM 777 CZ ARG A 54 0.225 -10.388 -10.267 1.00 0.00 C ATOM 778 NH1 ARG A 54 -0.427 -11.250 -9.474 1.00 0.00 N ATOM 779 NH2 ARG A 54 0.852 -10.831 -11.365 1.00 0.00 N ATOM 0 H ARG A 54 -3.550 -5.127 -8.421 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.913 -7.932 -8.264 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.520 -5.325 -7.955 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.916 -6.599 -6.914 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.308 -6.912 -9.927 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.217 -6.474 -9.184 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.235 -8.603 -7.900 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.332 -9.035 -8.556 1.00 0.00 H new ATOM 0 HE ARG A 54 0.755 -8.456 -10.586 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.904 -10.913 -8.638 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.446 -12.243 -9.707 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.349 -10.175 -11.968 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.833 -11.824 -11.598 1.00 0.00 H new ATOM 790 N THR A 55 -2.274 -7.858 -5.561 1.00 0.00 N ATOM 791 CA THR A 55 -2.455 -8.150 -4.149 1.00 0.00 C ATOM 792 C THR A 55 -1.109 -8.124 -3.421 1.00 0.00 C ATOM 793 O THR A 55 -0.058 -8.249 -4.049 1.00 0.00 O ATOM 794 CB THR A 55 -3.182 -9.491 -4.033 1.00 0.00 C ATOM 795 OG1 THR A 55 -2.944 -10.124 -5.287 1.00 0.00 O ATOM 796 CG2 THR A 55 -4.703 -9.330 -3.979 1.00 0.00 C ATOM 0 H THR A 55 -1.389 -8.179 -5.954 1.00 0.00 H new ATOM 0 HA THR A 55 -3.066 -7.389 -3.664 1.00 0.00 H new ATOM 0 HB THR A 55 -2.841 -10.013 -3.139 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.725 -11.068 -5.141 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.170 -10.311 -3.897 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.974 -8.725 -3.114 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.049 -8.838 -4.888 1.00 0.00 H new ATOM 804 N LEU A 56 -1.185 -7.961 -2.109 1.00 0.00 N ATOM 805 CA LEU A 56 0.015 -7.917 -1.290 1.00 0.00 C ATOM 806 C LEU A 56 0.763 -9.245 -1.418 1.00 0.00 C ATOM 807 O LEU A 56 1.956 -9.263 -1.722 1.00 0.00 O ATOM 808 CB LEU A 56 -0.335 -7.544 0.153 1.00 0.00 C ATOM 809 CG LEU A 56 -1.525 -6.600 0.331 1.00 0.00 C ATOM 810 CD1 LEU A 56 -1.608 -6.090 1.772 1.00 0.00 C ATOM 811 CD2 LEU A 56 -1.471 -5.452 -0.679 1.00 0.00 C ATOM 0 H LEU A 56 -2.058 -7.858 -1.592 1.00 0.00 H new ATOM 0 HA LEU A 56 0.689 -7.136 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.538 -8.461 0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.540 -7.084 0.611 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.438 -7.161 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.462 -5.421 1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.727 -6.935 2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.694 -5.551 2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.329 -4.796 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.551 -4.885 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.495 -5.856 -1.691 1.00 0.00 H new ATOM 822 N SER A 57 0.033 -10.325 -1.180 1.00 0.00 N ATOM 823 CA SER A 57 0.614 -11.654 -1.266 1.00 0.00 C ATOM 824 C SER A 57 1.156 -11.899 -2.674 1.00 0.00 C ATOM 825 O SER A 57 2.005 -12.766 -2.875 1.00 0.00 O ATOM 826 CB SER A 57 -0.412 -12.727 -0.898 1.00 0.00 C ATOM 827 OG SER A 57 -1.618 -12.592 -1.644 1.00 0.00 O ATOM 0 H SER A 57 -0.955 -10.307 -0.928 1.00 0.00 H new ATOM 0 HA SER A 57 1.436 -11.715 -0.553 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.016 -13.714 -1.076 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.636 -12.664 0.167 1.00 0.00 H new ATOM 0 HG SER A 57 -2.362 -12.412 -1.033 1.00 0.00 H new ATOM 832 N ASP A 58 0.644 -11.120 -3.615 1.00 0.00 N ATOM 833 CA ASP A 58 1.066 -11.241 -5.000 1.00 0.00 C ATOM 834 C ASP A 58 2.253 -10.307 -5.251 1.00 0.00 C ATOM 835 O ASP A 58 3.000 -10.492 -6.210 1.00 0.00 O ATOM 836 CB ASP A 58 -0.059 -10.842 -5.957 1.00 0.00 C ATOM 837 CG ASP A 58 -0.825 -12.012 -6.579 1.00 0.00 C ATOM 838 OD1 ASP A 58 -0.173 -12.795 -7.302 1.00 0.00 O ATOM 839 OD2 ASP A 58 -2.044 -12.096 -6.316 1.00 0.00 O ATOM 0 H ASP A 58 -0.060 -10.402 -3.445 1.00 0.00 H new ATOM 0 HA ASP A 58 1.339 -12.281 -5.179 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.766 -10.210 -5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.364 -10.237 -6.759 1.00 0.00 H new ATOM 843 N TYR A 59 2.388 -9.326 -4.372 1.00 0.00 N ATOM 844 CA TYR A 59 3.470 -8.363 -4.486 1.00 0.00 C ATOM 845 C TYR A 59 4.638 -8.741 -3.574 1.00 0.00 C ATOM 846 O TYR A 59 5.665 -8.063 -3.559 1.00 0.00 O ATOM 847 CB TYR A 59 2.892 -7.023 -4.026 1.00 0.00 C ATOM 848 CG TYR A 59 2.204 -6.228 -5.138 1.00 0.00 C ATOM 849 CD1 TYR A 59 2.801 -6.114 -6.376 1.00 0.00 C ATOM 850 CD2 TYR A 59 0.986 -5.625 -4.900 1.00 0.00 C ATOM 851 CE1 TYR A 59 2.153 -5.366 -7.422 1.00 0.00 C ATOM 852 CE2 TYR A 59 0.337 -4.876 -5.946 1.00 0.00 C ATOM 853 CZ TYR A 59 0.952 -4.785 -7.156 1.00 0.00 C ATOM 854 OH TYR A 59 0.340 -4.077 -8.143 1.00 0.00 O ATOM 0 H TYR A 59 1.766 -9.177 -3.577 1.00 0.00 H new ATOM 0 HA TYR A 59 3.846 -8.327 -5.508 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.175 -7.204 -3.225 1.00 0.00 H new ATOM 0 HB3 TYR A 59 3.695 -6.418 -3.604 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.755 -6.586 -6.561 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.519 -5.714 -3.930 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.610 -5.268 -8.396 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.616 -4.398 -5.773 1.00 0.00 H new ATOM 0 HH TYR A 59 0.760 -4.286 -9.004 1.00 0.00 H new ATOM 863 N ASN A 60 4.444 -9.823 -2.834 1.00 0.00 N ATOM 864 CA ASN A 60 5.468 -10.300 -1.921 1.00 0.00 C ATOM 865 C ASN A 60 5.448 -9.450 -0.649 1.00 0.00 C ATOM 866 O ASN A 60 6.319 -9.587 0.208 1.00 0.00 O ATOM 867 CB ASN A 60 6.860 -10.183 -2.545 1.00 0.00 C ATOM 868 CG ASN A 60 6.836 -10.590 -4.019 1.00 0.00 C ATOM 869 OD1 ASN A 60 6.547 -11.722 -4.373 1.00 0.00 O ATOM 870 ND2 ASN A 60 7.155 -9.608 -4.858 1.00 0.00 N ATOM 0 H ASN A 60 3.592 -10.383 -2.849 1.00 0.00 H new ATOM 0 HA ASN A 60 5.259 -11.346 -1.698 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.219 -9.158 -2.453 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.561 -10.816 -2.001 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.168 -9.780 -5.863 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.387 -8.683 -4.496 1.00 0.00 H new ATOM 876 N ILE A 61 4.443 -8.590 -0.566 1.00 0.00 N ATOM 877 CA ILE A 61 4.297 -7.717 0.586 1.00 0.00 C ATOM 878 C ILE A 61 4.053 -8.566 1.835 1.00 0.00 C ATOM 879 O ILE A 61 3.286 -9.527 1.797 1.00 0.00 O ATOM 880 CB ILE A 61 3.211 -6.671 0.332 1.00 0.00 C ATOM 881 CG1 ILE A 61 3.706 -5.589 -0.630 1.00 0.00 C ATOM 882 CG2 ILE A 61 2.701 -6.079 1.648 1.00 0.00 C ATOM 883 CD1 ILE A 61 2.537 -4.767 -1.177 1.00 0.00 C ATOM 0 H ILE A 61 3.722 -8.479 -1.279 1.00 0.00 H new ATOM 0 HA ILE A 61 5.215 -7.154 0.756 1.00 0.00 H new ATOM 0 HB ILE A 61 2.366 -7.165 -0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.408 -4.933 -0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.248 -6.051 -1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.930 -5.338 1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.283 -6.873 2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.527 -5.604 2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.915 -4.005 -1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.850 -5.423 -1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.012 -4.287 -0.351 1.00 0.00 H new ATOM 894 N GLN A 62 4.721 -8.182 2.913 1.00 0.00 N ATOM 895 CA GLN A 62 4.587 -8.896 4.171 1.00 0.00 C ATOM 896 C GLN A 62 4.303 -7.916 5.310 1.00 0.00 C ATOM 897 O GLN A 62 3.839 -6.801 5.074 1.00 0.00 O ATOM 898 CB GLN A 62 5.835 -9.731 4.464 1.00 0.00 C ATOM 899 CG GLN A 62 7.012 -8.836 4.860 1.00 0.00 C ATOM 900 CD GLN A 62 8.293 -9.657 5.026 1.00 0.00 C ATOM 901 OE1 GLN A 62 8.707 -9.994 6.123 1.00 0.00 O ATOM 902 NE2 GLN A 62 8.894 -9.957 3.879 1.00 0.00 N ATOM 0 H GLN A 62 5.357 -7.385 2.941 1.00 0.00 H new ATOM 0 HA GLN A 62 3.743 -9.581 4.089 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.624 -10.437 5.267 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.099 -10.318 3.584 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.163 -8.070 4.100 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.783 -8.319 5.792 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.493 -9.643 2.996 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.757 -10.501 3.882 1.00 0.00 H new ATOM 909 N LYS A 63 4.592 -8.366 6.523 1.00 0.00 N ATOM 910 CA LYS A 63 4.373 -7.542 7.699 1.00 0.00 C ATOM 911 C LYS A 63 5.563 -6.597 7.883 1.00 0.00 C ATOM 912 O LYS A 63 6.689 -6.935 7.524 1.00 0.00 O ATOM 913 CB LYS A 63 4.089 -8.418 8.921 1.00 0.00 C ATOM 914 CG LYS A 63 5.365 -9.101 9.415 1.00 0.00 C ATOM 915 CD LYS A 63 5.241 -10.624 9.328 1.00 0.00 C ATOM 916 CE LYS A 63 6.609 -11.294 9.470 1.00 0.00 C ATOM 917 NZ LYS A 63 6.620 -12.207 10.636 1.00 0.00 N ATOM 0 H LYS A 63 4.976 -9.291 6.716 1.00 0.00 H new ATOM 0 HA LYS A 63 3.488 -6.919 7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.666 -7.808 9.720 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.344 -9.172 8.667 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.214 -8.767 8.819 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.563 -8.807 10.446 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.573 -10.983 10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.793 -10.902 8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.844 -11.850 8.563 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.382 -10.535 9.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.556 -12.654 10.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.417 -11.667 11.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.895 -12.942 10.508 1.00 0.00 H new ATOM 927 N GLU A 64 5.271 -5.432 8.442 1.00 0.00 N ATOM 928 CA GLU A 64 6.302 -4.436 8.677 1.00 0.00 C ATOM 929 C GLU A 64 6.799 -3.861 7.349 1.00 0.00 C ATOM 930 O GLU A 64 7.804 -3.153 7.312 1.00 0.00 O ATOM 931 CB GLU A 64 7.460 -5.026 9.486 1.00 0.00 C ATOM 932 CG GLU A 64 7.368 -4.613 10.956 1.00 0.00 C ATOM 933 CD GLU A 64 8.706 -4.820 11.668 1.00 0.00 C ATOM 934 OE1 GLU A 64 9.203 -5.965 11.620 1.00 0.00 O ATOM 935 OE2 GLU A 64 9.201 -3.829 12.246 1.00 0.00 O ATOM 0 H GLU A 64 4.335 -5.156 8.739 1.00 0.00 H new ATOM 0 HA GLU A 64 5.869 -3.625 9.262 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.446 -6.113 9.408 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.409 -4.689 9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.073 -3.566 11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.593 -5.196 11.454 1.00 0.00 H new ATOM 940 N SER A 65 6.071 -4.187 6.291 1.00 0.00 N ATOM 941 CA SER A 65 6.425 -3.712 4.965 1.00 0.00 C ATOM 942 C SER A 65 6.018 -2.245 4.808 1.00 0.00 C ATOM 943 O SER A 65 4.876 -1.881 5.082 1.00 0.00 O ATOM 944 CB SER A 65 5.763 -4.564 3.880 1.00 0.00 C ATOM 945 OG SER A 65 5.916 -5.959 4.129 1.00 0.00 O ATOM 0 H SER A 65 5.238 -4.774 6.326 1.00 0.00 H new ATOM 0 HA SER A 65 7.505 -3.798 4.849 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.702 -4.320 3.824 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.198 -4.319 2.911 1.00 0.00 H new ATOM 0 HG SER A 65 6.654 -6.100 4.758 1.00 0.00 H new ATOM 950 N THR A 66 6.977 -1.442 4.369 1.00 0.00 N ATOM 951 CA THR A 66 6.733 -0.023 4.173 1.00 0.00 C ATOM 952 C THR A 66 6.470 0.274 2.696 1.00 0.00 C ATOM 953 O THR A 66 7.215 -0.176 1.826 1.00 0.00 O ATOM 954 CB THR A 66 7.927 0.745 4.745 1.00 0.00 C ATOM 955 OG1 THR A 66 8.072 0.228 6.064 1.00 0.00 O ATOM 956 CG2 THR A 66 7.622 2.229 4.956 1.00 0.00 C ATOM 0 H THR A 66 7.924 -1.747 4.144 1.00 0.00 H new ATOM 0 HA THR A 66 5.836 0.301 4.701 1.00 0.00 H new ATOM 0 HB THR A 66 8.780 0.643 4.074 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.826 0.670 6.508 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.502 2.727 5.363 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.356 2.685 4.002 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.791 2.334 5.653 1.00 0.00 H new ATOM 964 N LEU A 67 5.409 1.030 2.457 1.00 0.00 N ATOM 965 CA LEU A 67 5.038 1.393 1.100 1.00 0.00 C ATOM 966 C LEU A 67 5.516 2.817 0.809 1.00 0.00 C ATOM 967 O LEU A 67 6.253 3.402 1.600 1.00 0.00 O ATOM 968 CB LEU A 67 3.537 1.191 0.883 1.00 0.00 C ATOM 969 CG LEU A 67 3.039 -0.255 0.938 1.00 0.00 C ATOM 970 CD1 LEU A 67 3.122 -0.917 -0.438 1.00 0.00 C ATOM 971 CD2 LEU A 67 3.792 -1.053 2.004 1.00 0.00 C ATOM 0 H LEU A 67 4.794 1.402 3.181 1.00 0.00 H new ATOM 0 HA LEU A 67 5.531 0.738 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.000 1.768 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.271 1.609 -0.088 1.00 0.00 H new ATOM 0 HG LEU A 67 1.988 -0.243 1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.762 -1.944 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.506 -0.363 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.157 -0.917 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.419 -2.077 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.857 -1.059 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.637 -0.593 2.980 1.00 0.00 H new ATOM 982 N HIS A 68 5.076 3.333 -0.330 1.00 0.00 N ATOM 983 CA HIS A 68 5.450 4.678 -0.735 1.00 0.00 C ATOM 984 C HIS A 68 4.205 5.438 -1.198 1.00 0.00 C ATOM 985 O HIS A 68 3.538 5.027 -2.146 1.00 0.00 O ATOM 986 CB HIS A 68 6.549 4.639 -1.798 1.00 0.00 C ATOM 987 CG HIS A 68 7.928 4.366 -1.245 1.00 0.00 C ATOM 988 ND1 HIS A 68 9.007 5.200 -1.478 1.00 0.00 N ATOM 989 CD2 HIS A 68 8.390 3.345 -0.468 1.00 0.00 C ATOM 990 CE1 HIS A 68 10.067 4.693 -0.864 1.00 0.00 C ATOM 991 NE2 HIS A 68 9.683 3.544 -0.239 1.00 0.00 N ATOM 0 H HIS A 68 4.465 2.845 -0.984 1.00 0.00 H new ATOM 0 HA HIS A 68 5.867 5.216 0.116 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.304 3.871 -2.531 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.563 5.592 -2.327 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.804 2.515 -0.101 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.061 5.116 -0.860 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.289 2.937 0.313 1.00 0.00 H new ATOM 998 N LEU A 69 3.930 6.534 -0.506 1.00 0.00 N ATOM 999 CA LEU A 69 2.777 7.356 -0.835 1.00 0.00 C ATOM 1000 C LEU A 69 3.252 8.653 -1.493 1.00 0.00 C ATOM 1001 O LEU A 69 3.823 9.518 -0.830 1.00 0.00 O ATOM 1002 CB LEU A 69 1.908 7.579 0.405 1.00 0.00 C ATOM 1003 CG LEU A 69 0.828 8.656 0.282 1.00 0.00 C ATOM 1004 CD1 LEU A 69 -0.088 8.381 -0.911 1.00 0.00 C ATOM 1005 CD2 LEU A 69 0.043 8.796 1.588 1.00 0.00 C ATOM 0 H LEU A 69 4.485 6.872 0.280 1.00 0.00 H new ATOM 0 HA LEU A 69 2.139 6.846 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.425 6.636 0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.560 7.840 1.239 1.00 0.00 H new ATOM 0 HG LEU A 69 1.318 9.612 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.846 9.161 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.501 8.372 -1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.573 7.414 -0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.718 9.568 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.436 7.847 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.723 9.073 2.393 1.00 0.00 H new ATOM 1016 N VAL A 70 2.999 8.747 -2.790 1.00 0.00 N ATOM 1017 CA VAL A 70 3.394 9.924 -3.546 1.00 0.00 C ATOM 1018 C VAL A 70 2.150 10.573 -4.158 1.00 0.00 C ATOM 1019 O VAL A 70 1.029 10.137 -3.902 1.00 0.00 O ATOM 1020 CB VAL A 70 4.447 9.547 -4.590 1.00 0.00 C ATOM 1021 CG1 VAL A 70 5.752 9.114 -3.920 1.00 0.00 C ATOM 1022 CG2 VAL A 70 3.924 8.457 -5.527 1.00 0.00 C ATOM 0 H VAL A 70 2.526 8.028 -3.337 1.00 0.00 H new ATOM 0 HA VAL A 70 3.856 10.662 -2.890 1.00 0.00 H new ATOM 0 HB VAL A 70 4.656 10.433 -5.190 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.484 8.851 -4.684 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.139 9.933 -3.314 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.565 8.249 -3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.692 8.208 -6.259 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.673 7.569 -4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.034 8.817 -6.043 1.00 0.00 H new ATOM 1032 N LEU A 71 2.391 11.603 -4.955 1.00 0.00 N ATOM 1033 CA LEU A 71 1.305 12.315 -5.606 1.00 0.00 C ATOM 1034 C LEU A 71 1.097 11.746 -7.012 1.00 0.00 C ATOM 1035 O LEU A 71 1.820 10.845 -7.433 1.00 0.00 O ATOM 1036 CB LEU A 71 1.564 13.823 -5.586 1.00 0.00 C ATOM 1037 CG LEU A 71 0.347 14.710 -5.318 1.00 0.00 C ATOM 1038 CD1 LEU A 71 -0.396 14.256 -4.061 1.00 0.00 C ATOM 1039 CD2 LEU A 71 0.749 16.184 -5.245 1.00 0.00 C ATOM 0 H LEU A 71 3.323 11.962 -5.165 1.00 0.00 H new ATOM 0 HA LEU A 71 0.373 12.167 -5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.316 14.032 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.994 14.110 -6.546 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.343 14.605 -6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.257 14.903 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.735 13.228 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.273 14.313 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.134 16.793 -5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.469 16.325 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.200 16.485 -6.191 1.00 0.00 H new ATOM 1050 N ARG A 72 0.105 12.295 -7.697 1.00 0.00 N ATOM 1051 CA ARG A 72 -0.207 11.853 -9.045 1.00 0.00 C ATOM 1052 C ARG A 72 -0.442 13.059 -9.957 1.00 0.00 C ATOM 1053 O ARG A 72 -0.223 14.200 -9.553 1.00 0.00 O ATOM 1054 CB ARG A 72 -1.450 10.962 -9.058 1.00 0.00 C ATOM 1055 CG ARG A 72 -1.066 9.485 -9.153 1.00 0.00 C ATOM 1056 CD ARG A 72 -2.227 8.649 -9.696 1.00 0.00 C ATOM 1057 NE ARG A 72 -2.277 8.752 -11.172 1.00 0.00 N ATOM 1058 CZ ARG A 72 -2.998 7.941 -11.958 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -3.734 6.961 -11.414 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -2.985 8.108 -13.287 1.00 0.00 N ATOM 0 H ARG A 72 -0.493 13.042 -7.344 1.00 0.00 H new ATOM 0 HA ARG A 72 0.643 11.277 -9.411 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.033 11.132 -8.153 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.086 11.231 -9.902 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.198 9.373 -9.802 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.778 9.117 -8.168 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.106 7.607 -9.400 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.167 8.995 -9.267 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.728 9.487 -11.619 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.745 6.833 -10.402 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.283 6.343 -12.012 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.426 8.853 -13.702 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.534 7.490 -13.884 1.00 0.00 H new ATOM 1071 N LEU A 73 -0.885 12.765 -11.171 1.00 0.00 N ATOM 1072 CA LEU A 73 -1.153 13.810 -12.144 1.00 0.00 C ATOM 1073 C LEU A 73 -2.215 14.761 -11.587 1.00 0.00 C ATOM 1074 O LEU A 73 -2.829 14.476 -10.560 1.00 0.00 O ATOM 1075 CB LEU A 73 -1.522 13.201 -13.498 1.00 0.00 C ATOM 1076 CG LEU A 73 -3.019 13.079 -13.792 1.00 0.00 C ATOM 1077 CD1 LEU A 73 -3.512 14.264 -14.626 1.00 0.00 C ATOM 1078 CD2 LEU A 73 -3.339 11.739 -14.457 1.00 0.00 C ATOM 0 H LEU A 73 -1.065 11.817 -11.503 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.256 14.403 -12.322 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.066 13.805 -14.282 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.077 12.208 -13.561 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.557 13.106 -12.844 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.579 14.153 -14.821 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.338 15.191 -14.080 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.971 14.293 -15.572 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.409 11.678 -14.655 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.791 11.659 -15.396 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.045 10.925 -13.794 1.00 0.00 H new ATOM 1089 N ARG A 74 -2.398 15.869 -12.288 1.00 0.00 N ATOM 1090 CA ARG A 74 -3.374 16.863 -11.877 1.00 0.00 C ATOM 1091 C ARG A 74 -4.785 16.273 -11.930 1.00 0.00 C ATOM 1092 O ARG A 74 -4.955 15.081 -12.178 1.00 0.00 O ATOM 1093 CB ARG A 74 -3.313 18.101 -12.773 1.00 0.00 C ATOM 1094 CG ARG A 74 -3.853 17.793 -14.171 1.00 0.00 C ATOM 1095 CD ARG A 74 -3.971 19.069 -15.006 1.00 0.00 C ATOM 1096 NE ARG A 74 -2.821 19.178 -15.930 1.00 0.00 N ATOM 1097 CZ ARG A 74 -2.410 20.324 -16.489 1.00 0.00 C ATOM 1098 NH1 ARG A 74 -3.055 21.468 -16.220 1.00 0.00 N ATOM 1099 NH2 ARG A 74 -1.355 20.328 -17.315 1.00 0.00 N ATOM 0 H ARG A 74 -1.886 16.101 -13.139 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.136 17.158 -10.855 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.893 18.908 -12.325 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.283 18.451 -12.846 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.192 17.086 -14.672 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.829 17.315 -14.091 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.903 19.058 -15.572 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.006 19.940 -14.351 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.308 18.326 -16.156 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.858 21.465 -15.590 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.743 22.341 -16.645 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.864 19.458 -17.519 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.043 21.201 -17.740 1.00 0.00 H new ATOM 1110 N GLY A 75 -5.763 17.136 -11.691 1.00 0.00 N ATOM 1111 CA GLY A 75 -7.153 16.716 -11.708 1.00 0.00 C ATOM 1112 C GLY A 75 -7.874 17.255 -12.945 1.00 0.00 C ATOM 1113 O GLY A 75 -8.341 16.483 -13.782 1.00 0.00 O ATOM 0 H GLY A 75 -5.619 18.124 -11.485 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.208 15.627 -11.696 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.655 17.070 -10.807 1.00 0.00 H new ATOM 1117 N GLY A 76 -7.941 18.576 -13.023 1.00 0.00 N ATOM 1118 CA GLY A 76 -8.597 19.228 -14.143 1.00 0.00 C ATOM 1119 C GLY A 76 -9.040 20.644 -13.772 1.00 0.00 C ATOM 1120 O GLY A 76 -9.877 20.824 -12.887 1.00 0.00 O ATOM 0 H GLY A 76 -7.551 19.213 -12.328 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.917 19.267 -14.994 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.462 18.642 -14.453 1.00 0.00 H new TER 1124 GLY A 76