USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 988 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 34 TYR OH : rot 159:sc= 1.39 USER MOD Set 1.2: A 36 HIS : no HD1:sc= -4.95! C(o=-3.6!,f=-14!) USER MOD Single : A 1 MET CE :methyl 175:sc= -2.77! (180deg=-3.04!) USER MOD Single : A 1 MET N :NH3+ -156:sc= 2.36 (180deg=1.44) USER MOD Single : A 2 LYS NZ :NH3+ -172:sc= -0.2 (180deg=-0.324) USER MOD Single : A 5 LYS NZ :NH3+ 178:sc= 0.00446 (180deg=0.00263) USER MOD Single : A 10 SER OG : rot -108:sc= 1.24 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.228 K(o=0.23,f=-0.81) USER MOD Single : A 17 THR OG1 : rot 159:sc= 0.973 USER MOD Single : A 26 SER OG : rot 124:sc= 0.282 USER MOD Single : A 29 SER OG : rot 180:sc= -0.272 USER MOD Single : A 38 HIS : no HD1:sc= 0.716 K(o=0.72,f=-4.2!) USER MOD Single : A 40 SER OG : rot 108:sc= 0.0348 USER MOD Single : A 43 SER OG : rot -115:sc= 1.3 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= 0.373 K(o=0.37,f=-4.9!) USER MOD Single : A 57 LYS NZ :NH3+ -161:sc= -0.123 (180deg=-0.538) USER MOD Single : A 65 ASN : amide:sc= 1.1 K(o=1.1,f=-0.033) USER MOD Single : A 77 GLN : amide:sc= -0.349 K(o=-0.35,f=-1.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -151:sc= -0.258 (180deg=-0.975) USER MOD Single : A 91 GLN : amide:sc= -0.688 K(o=-0.69,f=0) USER MOD Single : A 94 MET CE :methyl -129:sc= -0.397 (180deg=-4.82!) USER MOD Single : A 100 THR OG1 : rot -46:sc= 1.35 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.944 K(o=-0.94,f=-2.7!) USER MOD Single : A 131 LYS NZ :NH3+ 175:sc= 0.0202 (180deg=-0.00315) USER MOD Single : A 133 ASN : amide:sc= -2.68! K(o=-2.7!,f=-0.14) USER MOD Single : A 143 THR OG1 : rot 180:sc=-0.00563 USER MOD Single : A 149 HIS : no HD1:sc= -0.055 X(o=-0.055,f=-0.071) USER MOD Single : A 151 HIS : no HD1:sc= -0.0555 X(o=-0.055,f=-0.0078) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.015 -18.371 7.658 1.00 0.00 N ATOM 2 CA MET A 1 11.963 -18.778 6.237 1.00 0.00 C ATOM 3 C MET A 1 11.672 -17.570 5.364 1.00 0.00 C ATOM 4 O MET A 1 10.894 -16.692 5.739 1.00 0.00 O ATOM 5 CB MET A 1 10.881 -19.837 6.012 1.00 0.00 C ATOM 6 CG MET A 1 9.471 -19.280 6.087 1.00 0.00 C ATOM 7 SD MET A 1 9.058 -18.662 7.730 1.00 0.00 S ATOM 8 CE MET A 1 7.913 -17.358 7.311 1.00 0.00 C ATOM 0 H1 MET A 1 12.590 -19.053 8.194 1.00 0.00 H new ATOM 0 H2 MET A 1 12.441 -17.425 7.733 1.00 0.00 H new ATOM 0 H3 MET A 1 11.051 -18.349 8.048 1.00 0.00 H new ATOM 0 HA MET A 1 12.931 -19.203 5.969 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.031 -20.298 5.036 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.993 -20.625 6.757 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.364 -18.474 5.362 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.761 -20.058 5.806 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.496 -16.933 8.224 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.435 -16.580 6.754 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.108 -17.764 6.699 1.00 0.00 H new ATOM 20 N LYS A 2 12.282 -17.536 4.198 1.00 0.00 N ATOM 21 CA LYS A 2 12.112 -16.418 3.288 1.00 0.00 C ATOM 22 C LYS A 2 11.230 -16.797 2.112 1.00 0.00 C ATOM 23 O LYS A 2 11.110 -17.969 1.753 1.00 0.00 O ATOM 24 CB LYS A 2 13.461 -15.932 2.767 1.00 0.00 C ATOM 25 CG LYS A 2 14.363 -17.057 2.296 1.00 0.00 C ATOM 26 CD LYS A 2 15.356 -16.580 1.257 1.00 0.00 C ATOM 27 CE LYS A 2 14.644 -16.192 -0.025 1.00 0.00 C ATOM 28 NZ LYS A 2 15.597 -15.867 -1.122 1.00 0.00 N ATOM 0 H LYS A 2 12.902 -18.270 3.856 1.00 0.00 H new ATOM 0 HA LYS A 2 11.631 -15.616 3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.296 -15.239 1.942 1.00 0.00 H new ATOM 0 HB3 LYS A 2 13.968 -15.375 3.555 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.900 -17.474 3.148 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.756 -17.860 1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 2 15.912 -15.726 1.643 1.00 0.00 H new ATOM 0 HD3 LYS A 2 16.082 -17.367 1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.995 -17.009 -0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.003 -15.331 0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.074 -15.479 -1.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 16.286 -15.164 -0.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 16.097 -16.731 -1.414 1.00 0.00 H new ATOM 42 N VAL A 3 10.627 -15.779 1.525 1.00 0.00 N ATOM 43 CA VAL A 3 9.773 -15.925 0.353 1.00 0.00 C ATOM 44 C VAL A 3 10.559 -16.418 -0.865 1.00 0.00 C ATOM 45 O VAL A 3 11.584 -15.839 -1.237 1.00 0.00 O ATOM 46 CB VAL A 3 9.094 -14.581 0.027 1.00 0.00 C ATOM 47 CG1 VAL A 3 10.080 -13.449 0.212 1.00 0.00 C ATOM 48 CG2 VAL A 3 8.533 -14.561 -1.388 1.00 0.00 C ATOM 0 H VAL A 3 10.715 -14.816 1.850 1.00 0.00 H new ATOM 0 HA VAL A 3 9.016 -16.673 0.586 1.00 0.00 H new ATOM 0 HB VAL A 3 8.258 -14.453 0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 3 9.594 -12.501 -0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 3 10.428 -13.435 1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 3 10.930 -13.594 -0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.062 -13.597 -1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 3 9.341 -14.718 -2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.793 -15.354 -1.497 1.00 0.00 H new ATOM 58 N ALA A 4 10.071 -17.492 -1.470 1.00 0.00 N ATOM 59 CA ALA A 4 10.673 -18.055 -2.670 1.00 0.00 C ATOM 60 C ALA A 4 9.621 -18.781 -3.493 1.00 0.00 C ATOM 61 O ALA A 4 8.426 -18.661 -3.217 1.00 0.00 O ATOM 62 CB ALA A 4 11.817 -18.988 -2.306 1.00 0.00 C ATOM 0 H ALA A 4 9.247 -17.997 -1.143 1.00 0.00 H new ATOM 0 HA ALA A 4 11.080 -17.243 -3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 4 12.255 -19.399 -3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 4 12.577 -18.434 -1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.440 -19.801 -1.685 1.00 0.00 H new ATOM 68 N LYS A 5 10.054 -19.518 -4.501 1.00 0.00 N ATOM 69 CA LYS A 5 9.138 -20.215 -5.385 1.00 0.00 C ATOM 70 C LYS A 5 8.360 -21.306 -4.646 1.00 0.00 C ATOM 71 O LYS A 5 8.834 -21.856 -3.651 1.00 0.00 O ATOM 72 CB LYS A 5 9.910 -20.817 -6.554 1.00 0.00 C ATOM 73 CG LYS A 5 9.019 -21.539 -7.546 1.00 0.00 C ATOM 74 CD LYS A 5 9.805 -22.131 -8.699 1.00 0.00 C ATOM 75 CE LYS A 5 8.902 -22.939 -9.615 1.00 0.00 C ATOM 76 NZ LYS A 5 7.985 -22.075 -10.408 1.00 0.00 N ATOM 0 H LYS A 5 11.040 -19.649 -4.728 1.00 0.00 H new ATOM 0 HA LYS A 5 8.413 -19.492 -5.760 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.451 -20.025 -7.071 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.655 -21.514 -6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.477 -22.333 -7.033 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.275 -20.844 -7.935 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.283 -21.332 -9.266 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.601 -22.768 -8.312 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.514 -23.534 -10.293 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.315 -23.638 -9.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.412 -22.667 -11.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.359 -21.551 -9.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.543 -21.402 -10.972 1.00 0.00 H new ATOM 90 N ASP A 6 7.170 -21.613 -5.175 1.00 0.00 N ATOM 91 CA ASP A 6 6.244 -22.609 -4.619 1.00 0.00 C ATOM 92 C ASP A 6 5.934 -22.424 -3.134 1.00 0.00 C ATOM 93 O ASP A 6 5.280 -23.264 -2.515 1.00 0.00 O ATOM 94 CB ASP A 6 6.741 -24.023 -4.911 1.00 0.00 C ATOM 95 CG ASP A 6 6.700 -24.335 -6.396 1.00 0.00 C ATOM 96 OD1 ASP A 6 5.763 -23.862 -7.088 1.00 0.00 O ATOM 97 OD2 ASP A 6 7.596 -25.054 -6.882 1.00 0.00 O ATOM 0 H ASP A 6 6.815 -21.166 -6.021 1.00 0.00 H new ATOM 0 HA ASP A 6 5.293 -22.449 -5.127 1.00 0.00 H new ATOM 0 HB2 ASP A 6 7.761 -24.134 -4.544 1.00 0.00 H new ATOM 0 HB3 ASP A 6 6.128 -24.744 -4.370 1.00 0.00 H new ATOM 102 N LEU A 7 6.415 -21.348 -2.553 1.00 0.00 N ATOM 103 CA LEU A 7 5.938 -20.930 -1.255 1.00 0.00 C ATOM 104 C LEU A 7 4.811 -19.944 -1.478 1.00 0.00 C ATOM 105 O LEU A 7 4.818 -19.212 -2.473 1.00 0.00 O ATOM 106 CB LEU A 7 7.059 -20.289 -0.431 1.00 0.00 C ATOM 107 CG LEU A 7 8.356 -21.100 -0.335 1.00 0.00 C ATOM 108 CD1 LEU A 7 9.274 -20.501 0.716 1.00 0.00 C ATOM 109 CD2 LEU A 7 8.069 -22.558 -0.018 1.00 0.00 C ATOM 0 H LEU A 7 7.134 -20.748 -2.958 1.00 0.00 H new ATOM 0 HA LEU A 7 5.586 -21.795 -0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.291 -19.315 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.688 -20.110 0.578 1.00 0.00 H new ATOM 0 HG LEU A 7 8.854 -21.058 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.192 -21.087 0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.516 -19.473 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.774 -20.513 1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.008 -23.108 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.544 -22.627 0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.449 -22.986 -0.805 1.00 0.00 H new ATOM 121 N VAL A 8 3.849 -19.890 -0.576 1.00 0.00 N ATOM 122 CA VAL A 8 2.717 -19.021 -0.763 1.00 0.00 C ATOM 123 C VAL A 8 2.761 -17.982 0.346 1.00 0.00 C ATOM 124 O VAL A 8 3.157 -18.291 1.475 1.00 0.00 O ATOM 125 CB VAL A 8 1.386 -19.814 -0.719 1.00 0.00 C ATOM 126 CG1 VAL A 8 1.224 -20.530 0.612 1.00 0.00 C ATOM 127 CG2 VAL A 8 0.193 -18.908 -0.985 1.00 0.00 C ATOM 0 H VAL A 8 3.834 -20.436 0.286 1.00 0.00 H new ATOM 0 HA VAL A 8 2.765 -18.545 -1.742 1.00 0.00 H new ATOM 0 HB VAL A 8 1.424 -20.563 -1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.282 -21.079 0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.051 -21.226 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.223 -19.799 1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.725 -19.495 -0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.155 -18.125 -0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.293 -18.454 -1.971 1.00 0.00 H new ATOM 137 N VAL A 9 2.391 -16.757 0.035 1.00 0.00 N ATOM 138 CA VAL A 9 2.485 -15.695 1.020 1.00 0.00 C ATOM 139 C VAL A 9 1.318 -14.735 0.922 1.00 0.00 C ATOM 140 O VAL A 9 0.672 -14.600 -0.123 1.00 0.00 O ATOM 141 CB VAL A 9 3.812 -14.890 0.913 1.00 0.00 C ATOM 142 CG1 VAL A 9 5.018 -15.799 0.754 1.00 0.00 C ATOM 143 CG2 VAL A 9 3.765 -13.882 -0.214 1.00 0.00 C ATOM 0 H VAL A 9 2.028 -16.473 -0.875 1.00 0.00 H new ATOM 0 HA VAL A 9 2.464 -16.195 1.988 1.00 0.00 H new ATOM 0 HB VAL A 9 3.920 -14.349 1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.922 -15.195 0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.091 -16.461 1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.908 -16.395 -0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.710 -13.340 -0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.601 -14.400 -1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.951 -13.179 -0.040 1.00 0.00 H new ATOM 153 N SER A 10 1.062 -14.085 2.033 1.00 0.00 N ATOM 154 CA SER A 10 0.065 -13.053 2.118 1.00 0.00 C ATOM 155 C SER A 10 0.762 -11.759 2.491 1.00 0.00 C ATOM 156 O SER A 10 1.397 -11.670 3.542 1.00 0.00 O ATOM 157 CB SER A 10 -0.985 -13.422 3.168 1.00 0.00 C ATOM 158 OG SER A 10 -1.507 -14.720 2.931 1.00 0.00 O ATOM 0 H SER A 10 1.548 -14.263 2.912 1.00 0.00 H new ATOM 0 HA SER A 10 -0.446 -12.937 1.162 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.540 -13.381 4.162 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.794 -12.692 3.150 1.00 0.00 H new ATOM 0 HG SER A 10 -2.427 -14.647 2.602 1.00 0.00 H new ATOM 164 N LEU A 11 0.694 -10.778 1.618 1.00 0.00 N ATOM 165 CA LEU A 11 1.351 -9.511 1.866 1.00 0.00 C ATOM 166 C LEU A 11 0.361 -8.377 1.690 1.00 0.00 C ATOM 167 O LEU A 11 -0.646 -8.527 1.011 1.00 0.00 O ATOM 168 CB LEU A 11 2.618 -9.338 0.984 1.00 0.00 C ATOM 169 CG LEU A 11 2.457 -9.177 -0.551 1.00 0.00 C ATOM 170 CD1 LEU A 11 1.433 -10.133 -1.139 1.00 0.00 C ATOM 171 CD2 LEU A 11 2.130 -7.742 -0.920 1.00 0.00 C ATOM 0 H LEU A 11 0.192 -10.832 0.732 1.00 0.00 H new ATOM 0 HA LEU A 11 1.702 -9.493 2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.156 -8.464 1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.259 -10.202 1.158 1.00 0.00 H new ATOM 0 HG LEU A 11 3.420 -9.438 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.363 -9.975 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.740 -11.160 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.461 -9.951 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.023 -7.660 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.197 -7.446 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.934 -7.088 -0.584 1.00 0.00 H new ATOM 183 N ALA A 12 0.652 -7.243 2.280 1.00 0.00 N ATOM 184 CA ALA A 12 -0.273 -6.134 2.288 1.00 0.00 C ATOM 185 C ALA A 12 0.434 -4.929 1.719 1.00 0.00 C ATOM 186 O ALA A 12 1.385 -4.432 2.308 1.00 0.00 O ATOM 187 CB ALA A 12 -0.757 -5.859 3.700 1.00 0.00 C ATOM 0 H ALA A 12 1.531 -7.063 2.765 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.148 -6.369 1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.453 -5.020 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.260 -6.743 4.091 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.094 -5.615 4.335 1.00 0.00 H new ATOM 193 N TYR A 13 0.009 -4.476 0.564 1.00 0.00 N ATOM 194 CA TYR A 13 0.753 -3.438 -0.114 1.00 0.00 C ATOM 195 C TYR A 13 -0.132 -2.263 -0.466 1.00 0.00 C ATOM 196 O TYR A 13 -1.355 -2.379 -0.529 1.00 0.00 O ATOM 197 CB TYR A 13 1.435 -3.984 -1.375 1.00 0.00 C ATOM 198 CG TYR A 13 0.489 -4.364 -2.501 1.00 0.00 C ATOM 199 CD1 TYR A 13 -0.138 -5.607 -2.529 1.00 0.00 C ATOM 200 CD2 TYR A 13 0.240 -3.483 -3.550 1.00 0.00 C ATOM 201 CE1 TYR A 13 -0.981 -5.959 -3.567 1.00 0.00 C ATOM 202 CE2 TYR A 13 -0.606 -3.825 -4.588 1.00 0.00 C ATOM 203 CZ TYR A 13 -1.212 -5.064 -4.594 1.00 0.00 C ATOM 204 OH TYR A 13 -2.044 -5.409 -5.635 1.00 0.00 O ATOM 0 H TYR A 13 -0.829 -4.800 0.081 1.00 0.00 H new ATOM 0 HA TYR A 13 1.523 -3.089 0.574 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.135 -3.235 -1.745 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.022 -4.861 -1.102 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.037 -6.308 -1.726 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.717 -2.514 -3.553 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.456 -6.929 -3.575 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.792 -3.126 -5.390 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.098 -4.665 -6.271 1.00 0.00 H new ATOM 214 N GLN A 14 0.506 -1.142 -0.716 1.00 0.00 N ATOM 215 CA GLN A 14 -0.188 0.063 -1.107 1.00 0.00 C ATOM 216 C GLN A 14 0.477 0.613 -2.353 1.00 0.00 C ATOM 217 O GLN A 14 1.662 0.943 -2.324 1.00 0.00 O ATOM 218 CB GLN A 14 -0.138 1.105 0.009 1.00 0.00 C ATOM 219 CG GLN A 14 -1.124 2.237 -0.190 1.00 0.00 C ATOM 220 CD GLN A 14 -0.884 3.415 0.732 1.00 0.00 C ATOM 221 OE1 GLN A 14 0.251 3.715 1.107 1.00 0.00 O ATOM 222 NE2 GLN A 14 -1.958 4.073 1.127 1.00 0.00 N ATOM 0 H GLN A 14 1.519 -1.040 -0.654 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.235 -0.169 -1.304 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.341 0.617 0.962 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.870 1.516 0.070 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.070 2.578 -1.224 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.134 1.861 -0.031 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.880 3.792 0.793 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.866 4.862 1.766 1.00 0.00 H new ATOM 231 N VAL A 15 -0.264 0.701 -3.441 1.00 0.00 N ATOM 232 CA VAL A 15 0.315 1.136 -4.698 1.00 0.00 C ATOM 233 C VAL A 15 -0.115 2.551 -5.051 1.00 0.00 C ATOM 234 O VAL A 15 -1.304 2.855 -5.168 1.00 0.00 O ATOM 235 CB VAL A 15 -0.003 0.169 -5.866 1.00 0.00 C ATOM 236 CG1 VAL A 15 -1.479 -0.154 -5.948 1.00 0.00 C ATOM 237 CG2 VAL A 15 0.488 0.746 -7.180 1.00 0.00 C ATOM 0 H VAL A 15 -1.259 0.479 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 15 1.395 1.128 -4.552 1.00 0.00 H new ATOM 0 HB VAL A 15 0.524 -0.765 -5.669 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.657 -0.835 -6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.801 -0.625 -5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.044 0.765 -6.103 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.257 0.054 -7.990 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.005 1.700 -7.365 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.566 0.899 -7.130 1.00 0.00 H new ATOM 247 N ARG A 16 0.873 3.405 -5.224 1.00 0.00 N ATOM 248 CA ARG A 16 0.655 4.790 -5.584 1.00 0.00 C ATOM 249 C ARG A 16 1.704 5.177 -6.613 1.00 0.00 C ATOM 250 O ARG A 16 2.717 4.498 -6.746 1.00 0.00 O ATOM 251 CB ARG A 16 0.738 5.680 -4.341 1.00 0.00 C ATOM 252 CG ARG A 16 2.138 5.836 -3.767 1.00 0.00 C ATOM 253 CD ARG A 16 2.089 6.287 -2.314 1.00 0.00 C ATOM 254 NE ARG A 16 1.243 7.468 -2.137 1.00 0.00 N ATOM 255 CZ ARG A 16 0.573 7.752 -1.019 1.00 0.00 C ATOM 256 NH1 ARG A 16 0.684 6.971 0.053 1.00 0.00 N ATOM 257 NH2 ARG A 16 -0.200 8.831 -0.978 1.00 0.00 N ATOM 0 H ARG A 16 1.856 3.155 -5.118 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.339 4.924 -6.010 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.350 6.667 -4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.087 5.267 -3.570 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.671 4.888 -3.839 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.697 6.562 -4.357 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.711 5.474 -1.694 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.099 6.509 -1.969 1.00 0.00 H new ATOM 0 HE ARG A 16 1.160 8.117 -2.920 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.285 6.148 0.024 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.168 7.196 0.904 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.278 9.434 -1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.716 9.056 -0.128 1.00 0.00 H new ATOM 271 N THR A 17 1.470 6.241 -7.345 1.00 0.00 N ATOM 272 CA THR A 17 2.366 6.606 -8.429 1.00 0.00 C ATOM 273 C THR A 17 3.467 7.536 -7.942 1.00 0.00 C ATOM 274 O THR A 17 3.474 7.949 -6.778 1.00 0.00 O ATOM 275 CB THR A 17 1.607 7.287 -9.580 1.00 0.00 C ATOM 276 OG1 THR A 17 0.976 8.479 -9.109 1.00 0.00 O ATOM 277 CG2 THR A 17 0.557 6.359 -10.172 1.00 0.00 C ATOM 0 H THR A 17 0.675 6.867 -7.216 1.00 0.00 H new ATOM 0 HA THR A 17 2.811 5.681 -8.795 1.00 0.00 H new ATOM 0 HB THR A 17 2.329 7.534 -10.359 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.792 9.073 -9.866 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.037 6.868 -10.983 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.041 5.462 -10.558 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.160 6.081 -9.400 1.00 0.00 H new ATOM 285 N GLU A 18 4.391 7.866 -8.833 1.00 0.00 N ATOM 286 CA GLU A 18 5.428 8.845 -8.534 1.00 0.00 C ATOM 287 C GLU A 18 4.805 10.216 -8.289 1.00 0.00 C ATOM 288 O GLU A 18 5.402 11.078 -7.639 1.00 0.00 O ATOM 289 CB GLU A 18 6.436 8.931 -9.678 1.00 0.00 C ATOM 290 CG GLU A 18 7.178 7.631 -9.942 1.00 0.00 C ATOM 291 CD GLU A 18 8.220 7.779 -11.030 1.00 0.00 C ATOM 292 OE1 GLU A 18 9.313 8.305 -10.738 1.00 0.00 O ATOM 293 OE2 GLU A 18 7.952 7.370 -12.178 1.00 0.00 O ATOM 0 H GLU A 18 4.444 7.469 -9.771 1.00 0.00 H new ATOM 0 HA GLU A 18 5.950 8.524 -7.633 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.915 9.232 -10.587 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.161 9.713 -9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.659 7.296 -9.023 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.464 6.858 -10.228 1.00 0.00 H new ATOM 300 N ASP A 19 3.594 10.400 -8.800 1.00 0.00 N ATOM 301 CA ASP A 19 2.867 11.652 -8.638 1.00 0.00 C ATOM 302 C ASP A 19 2.363 11.779 -7.204 1.00 0.00 C ATOM 303 O ASP A 19 2.039 12.873 -6.736 1.00 0.00 O ATOM 304 CB ASP A 19 1.682 11.714 -9.607 1.00 0.00 C ATOM 305 CG ASP A 19 1.995 11.093 -10.955 1.00 0.00 C ATOM 306 OD1 ASP A 19 2.658 11.747 -11.783 1.00 0.00 O ATOM 307 OD2 ASP A 19 1.584 9.930 -11.175 1.00 0.00 O ATOM 0 H ASP A 19 3.092 9.691 -9.334 1.00 0.00 H new ATOM 0 HA ASP A 19 3.545 12.477 -8.858 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.829 11.200 -9.164 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.389 12.754 -9.750 1.00 0.00 H new ATOM 312 N GLY A 20 2.313 10.649 -6.504 1.00 0.00 N ATOM 313 CA GLY A 20 1.906 10.650 -5.113 1.00 0.00 C ATOM 314 C GLY A 20 0.505 10.107 -4.907 1.00 0.00 C ATOM 315 O GLY A 20 0.136 9.737 -3.789 1.00 0.00 O ATOM 0 H GLY A 20 2.548 9.730 -6.879 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.610 10.053 -4.533 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.956 11.668 -4.726 1.00 0.00 H new ATOM 319 N VAL A 21 -0.266 10.031 -5.982 1.00 0.00 N ATOM 320 CA VAL A 21 -1.664 9.626 -5.890 1.00 0.00 C ATOM 321 C VAL A 21 -1.797 8.105 -5.762 1.00 0.00 C ATOM 322 O VAL A 21 -1.075 7.345 -6.411 1.00 0.00 O ATOM 323 CB VAL A 21 -2.476 10.141 -7.106 1.00 0.00 C ATOM 324 CG1 VAL A 21 -1.954 9.558 -8.411 1.00 0.00 C ATOM 325 CG2 VAL A 21 -3.961 9.849 -6.941 1.00 0.00 C ATOM 0 H VAL A 21 0.051 10.244 -6.928 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.075 10.078 -4.987 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.347 11.222 -7.148 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.546 9.940 -9.243 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.911 9.845 -8.546 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.031 8.471 -8.380 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.504 10.222 -7.809 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.113 8.773 -6.853 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.331 10.342 -6.042 1.00 0.00 H new ATOM 335 N LEU A 22 -2.711 7.677 -4.897 1.00 0.00 N ATOM 336 CA LEU A 22 -2.966 6.261 -4.655 1.00 0.00 C ATOM 337 C LEU A 22 -3.846 5.673 -5.755 1.00 0.00 C ATOM 338 O LEU A 22 -4.851 6.277 -6.142 1.00 0.00 O ATOM 339 CB LEU A 22 -3.652 6.088 -3.296 1.00 0.00 C ATOM 340 CG LEU A 22 -4.048 4.654 -2.934 1.00 0.00 C ATOM 341 CD1 LEU A 22 -2.815 3.800 -2.714 1.00 0.00 C ATOM 342 CD2 LEU A 22 -4.931 4.636 -1.697 1.00 0.00 C ATOM 0 H LEU A 22 -3.296 8.303 -4.343 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.013 5.731 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.986 6.469 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.548 6.709 -3.279 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.614 4.237 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.117 2.784 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.218 3.782 -3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.223 4.219 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.201 3.607 -1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.391 5.074 -0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.836 5.213 -1.887 1.00 0.00 H new ATOM 354 N VAL A 23 -3.475 4.501 -6.261 1.00 0.00 N ATOM 355 CA VAL A 23 -4.259 3.850 -7.305 1.00 0.00 C ATOM 356 C VAL A 23 -4.986 2.609 -6.782 1.00 0.00 C ATOM 357 O VAL A 23 -6.131 2.353 -7.161 1.00 0.00 O ATOM 358 CB VAL A 23 -3.396 3.473 -8.538 1.00 0.00 C ATOM 359 CG1 VAL A 23 -2.842 4.724 -9.200 1.00 0.00 C ATOM 360 CG2 VAL A 23 -2.264 2.524 -8.162 1.00 0.00 C ATOM 0 H VAL A 23 -2.644 3.986 -5.969 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.003 4.581 -7.621 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.041 2.954 -9.247 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.239 4.442 -10.063 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.666 5.359 -9.525 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.223 5.269 -8.487 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.681 2.282 -9.051 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.619 3.001 -7.424 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.681 1.609 -7.742 1.00 0.00 H new ATOM 370 N ASP A 24 -4.333 1.845 -5.910 1.00 0.00 N ATOM 371 CA ASP A 24 -4.936 0.636 -5.347 1.00 0.00 C ATOM 372 C ASP A 24 -4.253 0.309 -4.023 1.00 0.00 C ATOM 373 O ASP A 24 -3.214 0.889 -3.705 1.00 0.00 O ATOM 374 CB ASP A 24 -4.783 -0.534 -6.328 1.00 0.00 C ATOM 375 CG ASP A 24 -5.861 -1.599 -6.182 1.00 0.00 C ATOM 376 OD1 ASP A 24 -6.057 -2.122 -5.065 1.00 0.00 O ATOM 377 OD2 ASP A 24 -6.516 -1.921 -7.194 1.00 0.00 O ATOM 0 H ASP A 24 -3.389 2.039 -5.577 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.999 0.803 -5.174 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.802 -0.147 -7.347 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.806 -0.995 -6.180 1.00 0.00 H new ATOM 382 N GLU A 25 -4.816 -0.610 -3.257 1.00 0.00 N ATOM 383 CA GLU A 25 -4.262 -0.949 -1.957 1.00 0.00 C ATOM 384 C GLU A 25 -4.842 -2.251 -1.411 1.00 0.00 C ATOM 385 O GLU A 25 -6.044 -2.508 -1.517 1.00 0.00 O ATOM 386 CB GLU A 25 -4.513 0.192 -0.967 1.00 0.00 C ATOM 387 CG GLU A 25 -4.104 -0.128 0.464 1.00 0.00 C ATOM 388 CD GLU A 25 -4.511 0.953 1.441 1.00 0.00 C ATOM 389 OE1 GLU A 25 -4.016 2.092 1.318 1.00 0.00 O ATOM 390 OE2 GLU A 25 -5.332 0.667 2.338 1.00 0.00 O ATOM 0 H GLU A 25 -5.654 -1.133 -3.512 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.189 -1.094 -2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.968 1.075 -1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.573 0.446 -0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.556 -1.073 0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.023 -0.264 0.507 1.00 0.00 H new ATOM 397 N SER A 26 -3.970 -3.070 -0.845 1.00 0.00 N ATOM 398 CA SER A 26 -4.377 -4.225 -0.065 1.00 0.00 C ATOM 399 C SER A 26 -3.979 -3.984 1.387 1.00 0.00 C ATOM 400 O SER A 26 -2.793 -3.940 1.712 1.00 0.00 O ATOM 401 CB SER A 26 -3.724 -5.502 -0.599 1.00 0.00 C ATOM 402 OG SER A 26 -4.027 -5.687 -1.971 1.00 0.00 O ATOM 0 H SER A 26 -2.959 -2.951 -0.914 1.00 0.00 H new ATOM 0 HA SER A 26 -5.456 -4.358 -0.139 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.644 -5.447 -0.465 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.073 -6.361 -0.026 1.00 0.00 H new ATOM 0 HG SER A 26 -3.195 -5.770 -2.482 1.00 0.00 H new ATOM 408 N PRO A 27 -4.967 -3.799 2.269 1.00 0.00 N ATOM 409 CA PRO A 27 -4.729 -3.363 3.649 1.00 0.00 C ATOM 410 C PRO A 27 -4.022 -4.410 4.499 1.00 0.00 C ATOM 411 O PRO A 27 -3.947 -5.583 4.143 1.00 0.00 O ATOM 412 CB PRO A 27 -6.139 -3.131 4.185 1.00 0.00 C ATOM 413 CG PRO A 27 -6.982 -4.061 3.389 1.00 0.00 C ATOM 414 CD PRO A 27 -6.399 -4.027 2.007 1.00 0.00 C ATOM 0 HA PRO A 27 -4.077 -2.490 3.682 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.202 -3.348 5.251 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.452 -2.095 4.052 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.957 -5.069 3.803 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.025 -3.744 3.385 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.570 -4.961 1.472 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.833 -3.230 1.403 1.00 0.00 H new ATOM 422 N VAL A 28 -3.527 -3.965 5.645 1.00 0.00 N ATOM 423 CA VAL A 28 -2.853 -4.837 6.600 1.00 0.00 C ATOM 424 C VAL A 28 -3.850 -5.759 7.286 1.00 0.00 C ATOM 425 O VAL A 28 -3.478 -6.757 7.906 1.00 0.00 O ATOM 426 CB VAL A 28 -2.119 -4.012 7.671 1.00 0.00 C ATOM 427 CG1 VAL A 28 -1.179 -3.030 7.010 1.00 0.00 C ATOM 428 CG2 VAL A 28 -3.109 -3.279 8.569 1.00 0.00 C ATOM 0 H VAL A 28 -3.581 -2.990 5.940 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.130 -5.434 6.044 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.540 -4.693 8.295 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.663 -2.449 7.775 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.448 -3.573 6.411 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.748 -2.358 6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.564 -2.703 9.317 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.718 -2.606 7.966 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.754 -4.003 9.067 1.00 0.00 H new ATOM 438 N SER A 29 -5.117 -5.400 7.167 1.00 0.00 N ATOM 439 CA SER A 29 -6.194 -6.157 7.770 1.00 0.00 C ATOM 440 C SER A 29 -6.521 -7.380 6.925 1.00 0.00 C ATOM 441 O SER A 29 -6.873 -8.439 7.451 1.00 0.00 O ATOM 442 CB SER A 29 -7.412 -5.254 7.924 1.00 0.00 C ATOM 443 OG SER A 29 -7.655 -4.536 6.726 1.00 0.00 O ATOM 0 H SER A 29 -5.425 -4.576 6.650 1.00 0.00 H new ATOM 0 HA SER A 29 -5.888 -6.510 8.755 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.286 -5.853 8.179 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.253 -4.557 8.746 1.00 0.00 H new ATOM 0 HG SER A 29 -8.441 -3.963 6.842 1.00 0.00 H new ATOM 449 N ALA A 30 -6.379 -7.234 5.612 1.00 0.00 N ATOM 450 CA ALA A 30 -6.558 -8.351 4.703 1.00 0.00 C ATOM 451 C ALA A 30 -5.540 -8.262 3.580 1.00 0.00 C ATOM 452 O ALA A 30 -5.601 -7.373 2.729 1.00 0.00 O ATOM 453 CB ALA A 30 -7.974 -8.357 4.147 1.00 0.00 C ATOM 0 H ALA A 30 -6.141 -6.352 5.158 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.403 -9.284 5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.094 -9.200 3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.686 -8.448 4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.157 -7.427 3.608 1.00 0.00 H new ATOM 459 N PRO A 31 -4.613 -9.216 3.554 1.00 0.00 N ATOM 460 CA PRO A 31 -3.495 -9.231 2.613 1.00 0.00 C ATOM 461 C PRO A 31 -3.888 -9.644 1.200 1.00 0.00 C ATOM 462 O PRO A 31 -5.007 -10.098 0.946 1.00 0.00 O ATOM 463 CB PRO A 31 -2.536 -10.268 3.213 1.00 0.00 C ATOM 464 CG PRO A 31 -3.073 -10.575 4.569 1.00 0.00 C ATOM 465 CD PRO A 31 -4.549 -10.360 4.467 1.00 0.00 C ATOM 0 HA PRO A 31 -3.071 -8.233 2.498 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.494 -11.166 2.596 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.521 -9.874 3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.844 -11.600 4.860 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.632 -9.924 5.323 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.064 -11.233 4.068 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.000 -10.139 5.435 1.00 0.00 H new ATOM 473 N LEU A 32 -2.953 -9.453 0.283 1.00 0.00 N ATOM 474 CA LEU A 32 -3.030 -10.056 -1.031 1.00 0.00 C ATOM 475 C LEU A 32 -2.473 -11.463 -0.934 1.00 0.00 C ATOM 476 O LEU A 32 -1.354 -11.658 -0.457 1.00 0.00 O ATOM 477 CB LEU A 32 -2.220 -9.262 -2.055 1.00 0.00 C ATOM 478 CG LEU A 32 -2.203 -9.874 -3.458 1.00 0.00 C ATOM 479 CD1 LEU A 32 -3.475 -9.531 -4.213 1.00 0.00 C ATOM 480 CD2 LEU A 32 -0.979 -9.421 -4.227 1.00 0.00 C ATOM 0 H LEU A 32 -2.124 -8.877 0.431 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.069 -10.065 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.625 -8.252 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.194 -9.172 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.155 -10.958 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.440 -9.977 -5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.336 -9.921 -3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.563 -8.448 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.988 -9.868 -5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.988 -8.335 -4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.080 -9.734 -3.696 1.00 0.00 H new ATOM 492 N ASP A 33 -3.243 -12.433 -1.374 1.00 0.00 N ATOM 493 CA ASP A 33 -2.839 -13.824 -1.257 1.00 0.00 C ATOM 494 C ASP A 33 -2.397 -14.343 -2.609 1.00 0.00 C ATOM 495 O ASP A 33 -3.179 -14.338 -3.565 1.00 0.00 O ATOM 496 CB ASP A 33 -3.990 -14.680 -0.721 1.00 0.00 C ATOM 497 CG ASP A 33 -4.458 -14.246 0.655 1.00 0.00 C ATOM 498 OD1 ASP A 33 -3.804 -14.611 1.652 1.00 0.00 O ATOM 499 OD2 ASP A 33 -5.496 -13.553 0.744 1.00 0.00 O ATOM 0 H ASP A 33 -4.151 -12.289 -1.816 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.008 -13.886 -0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.828 -14.630 -1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.672 -15.722 -0.679 1.00 0.00 H new ATOM 504 N TYR A 34 -1.154 -14.792 -2.699 1.00 0.00 N ATOM 505 CA TYR A 34 -0.622 -15.255 -3.968 1.00 0.00 C ATOM 506 C TYR A 34 0.435 -16.335 -3.761 1.00 0.00 C ATOM 507 O TYR A 34 1.045 -16.427 -2.694 1.00 0.00 O ATOM 508 CB TYR A 34 -0.035 -14.074 -4.756 1.00 0.00 C ATOM 509 CG TYR A 34 1.403 -13.724 -4.422 1.00 0.00 C ATOM 510 CD1 TYR A 34 1.711 -12.822 -3.415 1.00 0.00 C ATOM 511 CD2 TYR A 34 2.453 -14.297 -5.130 1.00 0.00 C ATOM 512 CE1 TYR A 34 3.025 -12.504 -3.123 1.00 0.00 C ATOM 513 CE2 TYR A 34 3.764 -13.984 -4.843 1.00 0.00 C ATOM 514 CZ TYR A 34 4.047 -13.090 -3.840 1.00 0.00 C ATOM 515 OH TYR A 34 5.359 -12.779 -3.549 1.00 0.00 O ATOM 0 H TYR A 34 -0.502 -14.845 -1.916 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.439 -15.693 -4.541 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.099 -14.301 -5.820 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.656 -13.196 -4.579 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.914 -12.361 -2.851 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.237 -15.001 -5.920 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.250 -11.799 -2.336 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.566 -14.440 -5.405 1.00 0.00 H new ATOM 0 HH TYR A 34 5.945 -13.492 -3.879 1.00 0.00 H new ATOM 525 N LEU A 35 0.648 -17.142 -4.791 1.00 0.00 N ATOM 526 CA LEU A 35 1.656 -18.189 -4.755 1.00 0.00 C ATOM 527 C LEU A 35 2.878 -17.741 -5.542 1.00 0.00 C ATOM 528 O LEU A 35 2.815 -17.569 -6.761 1.00 0.00 O ATOM 529 CB LEU A 35 1.089 -19.486 -5.334 1.00 0.00 C ATOM 530 CG LEU A 35 2.064 -20.664 -5.379 1.00 0.00 C ATOM 531 CD1 LEU A 35 2.575 -20.997 -3.989 1.00 0.00 C ATOM 532 CD2 LEU A 35 1.395 -21.876 -5.996 1.00 0.00 C ATOM 0 H LEU A 35 0.131 -17.089 -5.668 1.00 0.00 H new ATOM 0 HA LEU A 35 1.948 -18.376 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.220 -19.778 -4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.736 -19.289 -6.346 1.00 0.00 H new ATOM 0 HG LEU A 35 2.916 -20.378 -5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.266 -21.838 -4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.091 -20.131 -3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.735 -21.262 -3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.100 -22.707 -6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.527 -22.155 -5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.077 -21.639 -7.011 1.00 0.00 H new ATOM 544 N HIS A 36 3.991 -17.564 -4.845 1.00 0.00 N ATOM 545 CA HIS A 36 5.157 -16.917 -5.427 1.00 0.00 C ATOM 546 C HIS A 36 5.818 -17.785 -6.487 1.00 0.00 C ATOM 547 O HIS A 36 5.901 -19.010 -6.355 1.00 0.00 O ATOM 548 CB HIS A 36 6.172 -16.548 -4.343 1.00 0.00 C ATOM 549 CG HIS A 36 7.304 -15.722 -4.867 1.00 0.00 C ATOM 550 ND1 HIS A 36 7.264 -14.347 -4.930 1.00 0.00 N ATOM 551 CD2 HIS A 36 8.499 -16.085 -5.385 1.00 0.00 C ATOM 552 CE1 HIS A 36 8.381 -13.905 -5.469 1.00 0.00 C ATOM 553 NE2 HIS A 36 9.147 -14.937 -5.753 1.00 0.00 N ATOM 0 H HIS A 36 4.111 -17.859 -3.876 1.00 0.00 H new ATOM 0 HA HIS A 36 4.808 -16.005 -5.912 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.665 -16.000 -3.549 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.569 -17.460 -3.898 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.873 -17.093 -5.489 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.627 -12.869 -5.648 1.00 0.00 H new ATOM 0 HE2 HIS A 36 10.073 -14.889 -6.178 1.00 0.00 H new ATOM 562 N GLY A 37 6.295 -17.135 -7.539 1.00 0.00 N ATOM 563 CA GLY A 37 6.986 -17.841 -8.592 1.00 0.00 C ATOM 564 C GLY A 37 6.019 -18.473 -9.559 1.00 0.00 C ATOM 565 O GLY A 37 6.336 -19.468 -10.216 1.00 0.00 O ATOM 0 H GLY A 37 6.214 -16.128 -7.680 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.639 -17.151 -9.127 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.624 -18.611 -8.158 1.00 0.00 H new ATOM 569 N HIS A 38 4.816 -17.915 -9.614 1.00 0.00 N ATOM 570 CA HIS A 38 3.793 -18.392 -10.523 1.00 0.00 C ATOM 571 C HIS A 38 3.198 -17.234 -11.326 1.00 0.00 C ATOM 572 O HIS A 38 2.420 -17.448 -12.258 1.00 0.00 O ATOM 573 CB HIS A 38 2.694 -19.133 -9.750 1.00 0.00 C ATOM 574 CG HIS A 38 3.078 -20.522 -9.323 1.00 0.00 C ATOM 575 ND1 HIS A 38 2.552 -21.655 -9.905 1.00 0.00 N ATOM 576 CD2 HIS A 38 3.939 -20.962 -8.369 1.00 0.00 C ATOM 577 CE1 HIS A 38 3.070 -22.727 -9.334 1.00 0.00 C ATOM 578 NE2 HIS A 38 3.915 -22.336 -8.401 1.00 0.00 N ATOM 0 H HIS A 38 4.528 -17.127 -9.034 1.00 0.00 H new ATOM 0 HA HIS A 38 4.254 -19.089 -11.223 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.431 -18.552 -8.866 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.801 -19.189 -10.372 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.532 -20.347 -7.708 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.840 -23.751 -9.588 1.00 0.00 H new ATOM 0 HE2 HIS A 38 4.462 -22.953 -7.800 1.00 0.00 H new ATOM 587 N GLY A 39 3.569 -16.004 -10.966 1.00 0.00 N ATOM 588 CA GLY A 39 3.100 -14.842 -11.704 1.00 0.00 C ATOM 589 C GLY A 39 1.731 -14.397 -11.247 1.00 0.00 C ATOM 590 O GLY A 39 0.877 -14.050 -12.062 1.00 0.00 O ATOM 0 H GLY A 39 4.183 -15.794 -10.180 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.808 -14.023 -11.579 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.069 -15.077 -12.768 1.00 0.00 H new ATOM 594 N SER A 40 1.520 -14.419 -9.942 1.00 0.00 N ATOM 595 CA SER A 40 0.228 -14.106 -9.360 1.00 0.00 C ATOM 596 C SER A 40 -0.125 -12.619 -9.441 1.00 0.00 C ATOM 597 O SER A 40 -1.278 -12.275 -9.695 1.00 0.00 O ATOM 598 CB SER A 40 0.200 -14.574 -7.918 1.00 0.00 C ATOM 599 OG SER A 40 0.177 -15.991 -7.836 1.00 0.00 O ATOM 0 H SER A 40 2.239 -14.654 -9.258 1.00 0.00 H new ATOM 0 HA SER A 40 -0.526 -14.632 -9.945 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.075 -14.191 -7.392 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.677 -14.164 -7.417 1.00 0.00 H new ATOM 0 HG SER A 40 1.044 -16.314 -7.514 1.00 0.00 H new ATOM 605 N LEU A 41 0.844 -11.735 -9.241 1.00 0.00 N ATOM 606 CA LEU A 41 0.550 -10.305 -9.319 1.00 0.00 C ATOM 607 C LEU A 41 1.255 -9.659 -10.509 1.00 0.00 C ATOM 608 O LEU A 41 0.804 -9.806 -11.644 1.00 0.00 O ATOM 609 CB LEU A 41 0.821 -9.533 -8.000 1.00 0.00 C ATOM 610 CG LEU A 41 2.186 -9.711 -7.314 1.00 0.00 C ATOM 611 CD1 LEU A 41 2.424 -8.576 -6.324 1.00 0.00 C ATOM 612 CD2 LEU A 41 2.261 -11.034 -6.575 1.00 0.00 C ATOM 0 H LEU A 41 1.814 -11.970 -9.029 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.526 -10.231 -9.478 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.688 -8.471 -8.204 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.050 -9.819 -7.284 1.00 0.00 H new ATOM 0 HG LEU A 41 2.952 -9.698 -8.089 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.393 -8.710 -5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.410 -7.623 -6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.639 -8.582 -5.568 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.238 -11.131 -6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.482 -11.070 -5.813 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.117 -11.853 -7.280 1.00 0.00 H new ATOM 624 N ILE A 42 2.342 -8.942 -10.274 1.00 0.00 N ATOM 625 CA ILE A 42 3.032 -8.263 -11.363 1.00 0.00 C ATOM 626 C ILE A 42 4.445 -8.802 -11.570 1.00 0.00 C ATOM 627 O ILE A 42 4.785 -9.868 -11.060 1.00 0.00 O ATOM 628 CB ILE A 42 3.055 -6.733 -11.141 1.00 0.00 C ATOM 629 CG1 ILE A 42 3.808 -6.396 -9.856 1.00 0.00 C ATOM 630 CG2 ILE A 42 1.631 -6.197 -11.088 1.00 0.00 C ATOM 631 CD1 ILE A 42 3.810 -4.925 -9.522 1.00 0.00 C ATOM 0 H ILE A 42 2.762 -8.815 -9.353 1.00 0.00 H new ATOM 0 HA ILE A 42 2.469 -8.468 -12.273 1.00 0.00 H new ATOM 0 HB ILE A 42 3.575 -6.259 -11.974 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.361 -6.947 -9.028 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.838 -6.740 -9.948 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.654 -5.119 -10.931 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.124 -6.417 -12.028 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.094 -6.672 -10.267 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.363 -4.763 -8.597 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.284 -4.369 -10.331 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.784 -4.579 -9.397 1.00 0.00 H new ATOM 643 N SER A 43 5.267 -8.054 -12.288 1.00 0.00 N ATOM 644 CA SER A 43 6.563 -8.566 -12.708 1.00 0.00 C ATOM 645 C SER A 43 7.654 -8.148 -11.720 1.00 0.00 C ATOM 646 O SER A 43 8.434 -8.973 -11.237 1.00 0.00 O ATOM 647 CB SER A 43 6.889 -8.071 -14.124 1.00 0.00 C ATOM 648 OG SER A 43 8.162 -8.515 -14.555 1.00 0.00 O ATOM 0 H SER A 43 5.064 -7.101 -12.590 1.00 0.00 H new ATOM 0 HA SER A 43 6.523 -9.655 -12.722 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.126 -8.425 -14.818 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.858 -6.982 -14.145 1.00 0.00 H new ATOM 0 HG SER A 43 8.755 -7.744 -14.672 1.00 0.00 H new ATOM 654 N GLY A 44 7.667 -6.860 -11.397 1.00 0.00 N ATOM 655 CA GLY A 44 8.713 -6.304 -10.562 1.00 0.00 C ATOM 656 C GLY A 44 8.528 -6.572 -9.084 1.00 0.00 C ATOM 657 O GLY A 44 9.501 -6.625 -8.335 1.00 0.00 O ATOM 0 H GLY A 44 6.965 -6.186 -11.702 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.672 -6.714 -10.878 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.758 -5.227 -10.723 1.00 0.00 H new ATOM 661 N LEU A 45 7.286 -6.760 -8.655 1.00 0.00 N ATOM 662 CA LEU A 45 7.006 -6.834 -7.226 1.00 0.00 C ATOM 663 C LEU A 45 7.464 -8.162 -6.645 1.00 0.00 C ATOM 664 O LEU A 45 8.203 -8.183 -5.671 1.00 0.00 O ATOM 665 CB LEU A 45 5.526 -6.616 -6.923 1.00 0.00 C ATOM 666 CG LEU A 45 5.209 -5.334 -6.150 1.00 0.00 C ATOM 667 CD1 LEU A 45 3.728 -5.264 -5.814 1.00 0.00 C ATOM 668 CD2 LEU A 45 6.047 -5.254 -4.883 1.00 0.00 C ATOM 0 H LEU A 45 6.472 -6.862 -9.261 1.00 0.00 H new ATOM 0 HA LEU A 45 7.570 -6.029 -6.754 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.976 -6.601 -7.864 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.158 -7.468 -6.352 1.00 0.00 H new ATOM 0 HG LEU A 45 5.458 -4.482 -6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.523 -4.345 -5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.145 -5.274 -6.735 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.453 -6.123 -5.201 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.808 -4.336 -4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.829 -6.113 -4.248 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.105 -5.256 -5.146 1.00 0.00 H new ATOM 680 N GLU A 46 7.023 -9.259 -7.257 1.00 0.00 N ATOM 681 CA GLU A 46 7.366 -10.592 -6.749 1.00 0.00 C ATOM 682 C GLU A 46 8.876 -10.731 -6.518 1.00 0.00 C ATOM 683 O GLU A 46 9.312 -11.132 -5.438 1.00 0.00 O ATOM 684 CB GLU A 46 6.878 -11.719 -7.661 1.00 0.00 C ATOM 685 CG GLU A 46 5.374 -11.943 -7.626 1.00 0.00 C ATOM 686 CD GLU A 46 4.971 -13.331 -8.107 1.00 0.00 C ATOM 687 OE1 GLU A 46 5.598 -14.328 -7.667 1.00 0.00 O ATOM 688 OE2 GLU A 46 4.009 -13.435 -8.898 1.00 0.00 O ATOM 0 H GLU A 46 6.437 -9.257 -8.092 1.00 0.00 H new ATOM 0 HA GLU A 46 6.846 -10.690 -5.796 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.177 -11.497 -8.685 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.379 -12.644 -7.376 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.014 -11.798 -6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.885 -11.192 -8.247 1.00 0.00 H new ATOM 695 N THR A 47 9.667 -10.364 -7.513 1.00 0.00 N ATOM 696 CA THR A 47 11.117 -10.468 -7.417 1.00 0.00 C ATOM 697 C THR A 47 11.682 -9.539 -6.339 1.00 0.00 C ATOM 698 O THR A 47 12.677 -9.863 -5.688 1.00 0.00 O ATOM 699 CB THR A 47 11.770 -10.159 -8.776 1.00 0.00 C ATOM 700 OG1 THR A 47 11.215 -11.027 -9.777 1.00 0.00 O ATOM 701 CG2 THR A 47 13.278 -10.349 -8.718 1.00 0.00 C ATOM 0 H THR A 47 9.330 -9.990 -8.400 1.00 0.00 H new ATOM 0 HA THR A 47 11.353 -11.493 -7.131 1.00 0.00 H new ATOM 0 HB THR A 47 11.568 -9.118 -9.027 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.627 -10.832 -10.644 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.711 -10.123 -9.693 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.701 -9.679 -7.969 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.505 -11.381 -8.451 1.00 0.00 H new ATOM 709 N ALA A 48 11.030 -8.400 -6.132 1.00 0.00 N ATOM 710 CA ALA A 48 11.447 -7.466 -5.096 1.00 0.00 C ATOM 711 C ALA A 48 11.115 -8.035 -3.725 1.00 0.00 C ATOM 712 O ALA A 48 11.889 -7.913 -2.777 1.00 0.00 O ATOM 713 CB ALA A 48 10.766 -6.119 -5.283 1.00 0.00 C ATOM 0 H ALA A 48 10.214 -8.103 -6.667 1.00 0.00 H new ATOM 0 HA ALA A 48 12.524 -7.319 -5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.091 -5.435 -4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.033 -5.708 -6.257 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.685 -6.247 -5.228 1.00 0.00 H new ATOM 719 N LEU A 49 9.942 -8.648 -3.646 1.00 0.00 N ATOM 720 CA LEU A 49 9.459 -9.295 -2.433 1.00 0.00 C ATOM 721 C LEU A 49 10.371 -10.431 -2.007 1.00 0.00 C ATOM 722 O LEU A 49 10.537 -10.691 -0.817 1.00 0.00 O ATOM 723 CB LEU A 49 8.047 -9.826 -2.675 1.00 0.00 C ATOM 724 CG LEU A 49 7.048 -8.756 -3.090 1.00 0.00 C ATOM 725 CD1 LEU A 49 5.709 -9.369 -3.463 1.00 0.00 C ATOM 726 CD2 LEU A 49 6.896 -7.744 -1.975 1.00 0.00 C ATOM 0 H LEU A 49 9.292 -8.711 -4.430 1.00 0.00 H new ATOM 0 HA LEU A 49 9.450 -8.558 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.086 -10.593 -3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.690 -10.309 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 49 7.426 -8.247 -3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.016 -8.580 -3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.844 -10.059 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.304 -9.908 -2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.180 -6.978 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.538 -8.245 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.861 -7.279 -1.771 1.00 0.00 H new ATOM 738 N GLU A 50 10.953 -11.096 -2.994 1.00 0.00 N ATOM 739 CA GLU A 50 11.853 -12.213 -2.757 1.00 0.00 C ATOM 740 C GLU A 50 12.969 -11.875 -1.775 1.00 0.00 C ATOM 741 O GLU A 50 13.393 -10.726 -1.638 1.00 0.00 O ATOM 742 CB GLU A 50 12.436 -12.736 -4.064 1.00 0.00 C ATOM 743 CG GLU A 50 11.810 -14.050 -4.478 1.00 0.00 C ATOM 744 CD GLU A 50 12.439 -14.653 -5.710 1.00 0.00 C ATOM 745 OE1 GLU A 50 13.622 -15.042 -5.643 1.00 0.00 O ATOM 746 OE2 GLU A 50 11.740 -14.771 -6.740 1.00 0.00 O ATOM 0 H GLU A 50 10.814 -10.876 -3.980 1.00 0.00 H new ATOM 0 HA GLU A 50 11.251 -12.998 -2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.282 -11.997 -4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 50 13.513 -12.866 -3.954 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.892 -14.758 -3.654 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.747 -13.895 -4.661 1.00 0.00 H new ATOM 753 N GLY A 51 13.438 -12.917 -1.110 1.00 0.00 N ATOM 754 CA GLY A 51 14.464 -12.761 -0.093 1.00 0.00 C ATOM 755 C GLY A 51 13.963 -12.262 1.250 1.00 0.00 C ATOM 756 O GLY A 51 14.614 -12.487 2.270 1.00 0.00 O ATOM 0 H GLY A 51 13.126 -13.877 -1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 51 14.958 -13.721 0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.219 -12.068 -0.463 1.00 0.00 H new ATOM 760 N HIS A 52 12.817 -11.597 1.269 1.00 0.00 N ATOM 761 CA HIS A 52 12.324 -10.993 2.503 1.00 0.00 C ATOM 762 C HIS A 52 11.603 -12.023 3.357 1.00 0.00 C ATOM 763 O HIS A 52 11.252 -13.108 2.890 1.00 0.00 O ATOM 764 CB HIS A 52 11.380 -9.818 2.216 1.00 0.00 C ATOM 765 CG HIS A 52 12.037 -8.649 1.544 1.00 0.00 C ATOM 766 ND1 HIS A 52 12.756 -7.695 2.226 1.00 0.00 N ATOM 767 CD2 HIS A 52 12.086 -8.288 0.242 1.00 0.00 C ATOM 768 CE1 HIS A 52 13.227 -6.805 1.374 1.00 0.00 C ATOM 769 NE2 HIS A 52 12.836 -7.140 0.160 1.00 0.00 N ATOM 0 H HIS A 52 12.216 -11.462 0.456 1.00 0.00 H new ATOM 0 HA HIS A 52 13.191 -10.617 3.046 1.00 0.00 H new ATOM 0 HB2 HIS A 52 10.561 -10.170 1.589 1.00 0.00 H new ATOM 0 HB3 HIS A 52 10.940 -9.482 3.155 1.00 0.00 H new ATOM 0 HD1 HIS A 52 12.902 -7.678 3.235 1.00 0.00 H new ATOM 0 HD2 HIS A 52 11.621 -8.807 -0.583 1.00 0.00 H new ATOM 0 HE1 HIS A 52 13.831 -5.947 1.628 1.00 0.00 H new ATOM 778 N GLU A 53 11.397 -11.685 4.614 1.00 0.00 N ATOM 779 CA GLU A 53 10.629 -12.518 5.512 1.00 0.00 C ATOM 780 C GLU A 53 9.535 -11.687 6.160 1.00 0.00 C ATOM 781 O GLU A 53 9.613 -10.456 6.165 1.00 0.00 O ATOM 782 CB GLU A 53 11.528 -13.152 6.570 1.00 0.00 C ATOM 783 CG GLU A 53 12.539 -14.130 5.995 1.00 0.00 C ATOM 784 CD GLU A 53 13.478 -14.676 7.047 1.00 0.00 C ATOM 785 OE1 GLU A 53 14.502 -14.021 7.333 1.00 0.00 O ATOM 786 OE2 GLU A 53 13.199 -15.766 7.595 1.00 0.00 O ATOM 0 H GLU A 53 11.756 -10.830 5.038 1.00 0.00 H new ATOM 0 HA GLU A 53 10.172 -13.327 4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.059 -12.364 7.104 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.907 -13.670 7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 53 12.011 -14.956 5.520 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.119 -13.633 5.217 1.00 0.00 H new ATOM 793 N VAL A 54 8.518 -12.360 6.683 1.00 0.00 N ATOM 794 CA VAL A 54 7.331 -11.691 7.212 1.00 0.00 C ATOM 795 C VAL A 54 7.680 -10.557 8.178 1.00 0.00 C ATOM 796 O VAL A 54 8.661 -10.624 8.927 1.00 0.00 O ATOM 797 CB VAL A 54 6.336 -12.682 7.880 1.00 0.00 C ATOM 798 CG1 VAL A 54 6.642 -14.115 7.495 1.00 0.00 C ATOM 799 CG2 VAL A 54 6.301 -12.532 9.391 1.00 0.00 C ATOM 0 H VAL A 54 8.490 -13.377 6.753 1.00 0.00 H new ATOM 0 HA VAL A 54 6.835 -11.253 6.346 1.00 0.00 H new ATOM 0 HB VAL A 54 5.345 -12.428 7.503 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.928 -14.782 7.979 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.566 -14.225 6.413 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.652 -14.370 7.816 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.592 -13.245 9.811 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.293 -12.724 9.799 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.993 -11.519 9.649 1.00 0.00 H new ATOM 809 N GLY A 55 6.881 -9.505 8.116 1.00 0.00 N ATOM 810 CA GLY A 55 7.073 -8.360 8.982 1.00 0.00 C ATOM 811 C GLY A 55 7.868 -7.248 8.331 1.00 0.00 C ATOM 812 O GLY A 55 7.880 -6.120 8.826 1.00 0.00 O ATOM 0 H GLY A 55 6.093 -9.423 7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.100 -7.973 9.284 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.584 -8.680 9.890 1.00 0.00 H new ATOM 816 N ASP A 56 8.545 -7.557 7.233 1.00 0.00 N ATOM 817 CA ASP A 56 9.324 -6.548 6.526 1.00 0.00 C ATOM 818 C ASP A 56 8.404 -5.549 5.855 1.00 0.00 C ATOM 819 O ASP A 56 7.426 -5.926 5.204 1.00 0.00 O ATOM 820 CB ASP A 56 10.240 -7.171 5.472 1.00 0.00 C ATOM 821 CG ASP A 56 11.648 -6.609 5.527 1.00 0.00 C ATOM 822 OD1 ASP A 56 11.906 -5.708 6.354 1.00 0.00 O ATOM 823 OD2 ASP A 56 12.511 -7.078 4.751 1.00 0.00 O ATOM 0 H ASP A 56 8.571 -8.487 6.816 1.00 0.00 H new ATOM 0 HA ASP A 56 9.945 -6.044 7.267 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.276 -8.251 5.618 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.820 -6.997 4.481 1.00 0.00 H new ATOM 828 N LYS A 57 8.722 -4.279 6.015 1.00 0.00 N ATOM 829 CA LYS A 57 7.952 -3.229 5.392 1.00 0.00 C ATOM 830 C LYS A 57 8.871 -2.244 4.702 1.00 0.00 C ATOM 831 O LYS A 57 9.824 -1.739 5.293 1.00 0.00 O ATOM 832 CB LYS A 57 7.063 -2.507 6.406 1.00 0.00 C ATOM 833 CG LYS A 57 6.120 -1.504 5.758 1.00 0.00 C ATOM 834 CD LYS A 57 6.665 -0.087 5.776 1.00 0.00 C ATOM 835 CE LYS A 57 6.667 0.496 7.180 1.00 0.00 C ATOM 836 NZ LYS A 57 5.301 0.526 7.768 1.00 0.00 N ATOM 0 H LYS A 57 9.511 -3.953 6.573 1.00 0.00 H new ATOM 0 HA LYS A 57 7.301 -3.689 4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.479 -3.243 6.958 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.692 -1.991 7.131 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.932 -1.803 4.727 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.161 -1.526 6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.680 -0.082 5.378 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.063 0.543 5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.324 -0.095 7.818 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.073 1.507 7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.278 1.200 8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.617 0.821 7.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.051 -0.422 8.114 1.00 0.00 H new ATOM 850 N PHE A 58 8.572 -1.979 3.449 1.00 0.00 N ATOM 851 CA PHE A 58 9.357 -1.060 2.651 1.00 0.00 C ATOM 852 C PHE A 58 8.581 -0.694 1.412 1.00 0.00 C ATOM 853 O PHE A 58 7.679 -1.424 0.996 1.00 0.00 O ATOM 854 CB PHE A 58 10.698 -1.683 2.251 1.00 0.00 C ATOM 855 CG PHE A 58 10.570 -2.852 1.314 1.00 0.00 C ATOM 856 CD1 PHE A 58 10.106 -4.088 1.755 1.00 0.00 C ATOM 857 CD2 PHE A 58 10.896 -2.703 -0.022 1.00 0.00 C ATOM 858 CE1 PHE A 58 9.967 -5.143 0.873 1.00 0.00 C ATOM 859 CE2 PHE A 58 10.767 -3.755 -0.903 1.00 0.00 C ATOM 860 CZ PHE A 58 10.298 -4.974 -0.462 1.00 0.00 C ATOM 0 H PHE A 58 7.781 -2.392 2.955 1.00 0.00 H new ATOM 0 HA PHE A 58 9.560 -0.169 3.245 1.00 0.00 H new ATOM 0 HB2 PHE A 58 11.317 -0.919 1.781 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.220 -2.007 3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.852 -4.224 2.796 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.256 -1.750 -0.379 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.601 -6.097 1.223 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.034 -3.624 -1.941 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.189 -5.795 -1.155 1.00 0.00 H new ATOM 870 N ASP A 59 8.912 0.434 0.837 1.00 0.00 N ATOM 871 CA ASP A 59 8.282 0.836 -0.402 1.00 0.00 C ATOM 872 C ASP A 59 9.149 0.447 -1.579 1.00 0.00 C ATOM 873 O ASP A 59 10.377 0.526 -1.535 1.00 0.00 O ATOM 874 CB ASP A 59 7.942 2.327 -0.440 1.00 0.00 C ATOM 875 CG ASP A 59 9.141 3.231 -0.625 1.00 0.00 C ATOM 876 OD1 ASP A 59 9.920 3.398 0.335 1.00 0.00 O ATOM 877 OD2 ASP A 59 9.284 3.811 -1.723 1.00 0.00 O ATOM 0 H ASP A 59 9.607 1.087 1.199 1.00 0.00 H new ATOM 0 HA ASP A 59 7.332 0.305 -0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.237 2.507 -1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.437 2.597 0.487 1.00 0.00 H new ATOM 882 N VAL A 60 8.487 0.016 -2.621 1.00 0.00 N ATOM 883 CA VAL A 60 9.129 -0.529 -3.799 1.00 0.00 C ATOM 884 C VAL A 60 8.800 0.367 -4.971 1.00 0.00 C ATOM 885 O VAL A 60 7.693 0.895 -5.042 1.00 0.00 O ATOM 886 CB VAL A 60 8.595 -1.947 -4.094 1.00 0.00 C ATOM 887 CG1 VAL A 60 9.444 -2.678 -5.110 1.00 0.00 C ATOM 888 CG2 VAL A 60 8.474 -2.766 -2.832 1.00 0.00 C ATOM 0 H VAL A 60 7.469 0.032 -2.680 1.00 0.00 H new ATOM 0 HA VAL A 60 10.205 -0.583 -3.635 1.00 0.00 H new ATOM 0 HB VAL A 60 7.601 -1.818 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.029 -3.671 -5.285 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.454 -2.119 -6.046 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.462 -2.772 -4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.095 -3.758 -3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.453 -2.857 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.786 -2.275 -2.144 1.00 0.00 H new ATOM 898 N ALA A 61 9.729 0.555 -5.887 1.00 0.00 N ATOM 899 CA ALA A 61 9.449 1.375 -7.043 1.00 0.00 C ATOM 900 C ALA A 61 9.763 0.605 -8.309 1.00 0.00 C ATOM 901 O ALA A 61 10.925 0.317 -8.610 1.00 0.00 O ATOM 902 CB ALA A 61 10.243 2.669 -6.976 1.00 0.00 C ATOM 0 H ALA A 61 10.668 0.158 -5.854 1.00 0.00 H new ATOM 0 HA ALA A 61 8.390 1.632 -7.053 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.022 3.277 -7.853 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.968 3.218 -6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.309 2.441 -6.951 1.00 0.00 H new ATOM 908 N VAL A 62 8.723 0.281 -9.053 1.00 0.00 N ATOM 909 CA VAL A 62 8.866 -0.498 -10.270 1.00 0.00 C ATOM 910 C VAL A 62 8.226 0.234 -11.434 1.00 0.00 C ATOM 911 O VAL A 62 7.146 0.806 -11.299 1.00 0.00 O ATOM 912 CB VAL A 62 8.220 -1.894 -10.123 1.00 0.00 C ATOM 913 CG1 VAL A 62 8.360 -2.698 -11.407 1.00 0.00 C ATOM 914 CG2 VAL A 62 8.846 -2.648 -8.963 1.00 0.00 C ATOM 0 H VAL A 62 7.763 0.547 -8.835 1.00 0.00 H new ATOM 0 HA VAL A 62 9.932 -0.629 -10.458 1.00 0.00 H new ATOM 0 HB VAL A 62 7.158 -1.754 -9.921 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.897 -3.676 -11.276 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.867 -2.169 -12.223 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.416 -2.825 -11.643 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.380 -3.629 -8.873 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.914 -2.769 -9.142 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.694 -2.088 -8.040 1.00 0.00 H new ATOM 924 N GLY A 63 8.908 0.221 -12.568 1.00 0.00 N ATOM 925 CA GLY A 63 8.398 0.878 -13.751 1.00 0.00 C ATOM 926 C GLY A 63 7.167 0.190 -14.300 1.00 0.00 C ATOM 927 O GLY A 63 6.994 -1.016 -14.120 1.00 0.00 O ATOM 0 H GLY A 63 9.812 -0.236 -12.690 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.158 1.914 -13.514 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.173 0.897 -14.517 1.00 0.00 H new ATOM 931 N ALA A 64 6.325 0.960 -14.981 1.00 0.00 N ATOM 932 CA ALA A 64 5.082 0.456 -15.571 1.00 0.00 C ATOM 933 C ALA A 64 5.302 -0.772 -16.458 1.00 0.00 C ATOM 934 O ALA A 64 4.373 -1.531 -16.717 1.00 0.00 O ATOM 935 CB ALA A 64 4.416 1.556 -16.375 1.00 0.00 C ATOM 0 H ALA A 64 6.482 1.955 -15.142 1.00 0.00 H new ATOM 0 HA ALA A 64 4.438 0.145 -14.748 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.492 1.178 -16.813 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.190 2.399 -15.721 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.087 1.883 -17.170 1.00 0.00 H new ATOM 941 N ASN A 65 6.531 -0.956 -16.924 1.00 0.00 N ATOM 942 CA ASN A 65 6.867 -2.086 -17.781 1.00 0.00 C ATOM 943 C ASN A 65 6.767 -3.398 -17.014 1.00 0.00 C ATOM 944 O ASN A 65 6.439 -4.440 -17.583 1.00 0.00 O ATOM 945 CB ASN A 65 8.279 -1.914 -18.350 1.00 0.00 C ATOM 946 CG ASN A 65 8.679 -3.040 -19.286 1.00 0.00 C ATOM 947 OD1 ASN A 65 8.412 -2.984 -20.485 1.00 0.00 O ATOM 948 ND2 ASN A 65 9.325 -4.062 -18.746 1.00 0.00 N ATOM 0 H ASN A 65 7.314 -0.335 -16.722 1.00 0.00 H new ATOM 0 HA ASN A 65 6.153 -2.116 -18.604 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.337 -0.966 -18.885 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.993 -1.861 -17.528 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.622 -4.844 -19.330 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.526 -4.067 -17.746 1.00 0.00 H new ATOM 955 N ASP A 66 7.026 -3.340 -15.718 1.00 0.00 N ATOM 956 CA ASP A 66 7.061 -4.541 -14.897 1.00 0.00 C ATOM 957 C ASP A 66 6.007 -4.494 -13.802 1.00 0.00 C ATOM 958 O ASP A 66 5.977 -5.334 -12.901 1.00 0.00 O ATOM 959 CB ASP A 66 8.439 -4.716 -14.276 1.00 0.00 C ATOM 960 CG ASP A 66 9.457 -5.276 -15.249 1.00 0.00 C ATOM 961 OD1 ASP A 66 9.948 -4.515 -16.112 1.00 0.00 O ATOM 962 OD2 ASP A 66 9.777 -6.481 -15.149 1.00 0.00 O ATOM 0 H ASP A 66 7.215 -2.475 -15.211 1.00 0.00 H new ATOM 0 HA ASP A 66 6.845 -5.391 -15.544 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.790 -3.753 -13.905 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.363 -5.380 -13.415 1.00 0.00 H new ATOM 967 N ALA A 67 5.158 -3.500 -13.878 1.00 0.00 N ATOM 968 CA ALA A 67 4.079 -3.326 -12.920 1.00 0.00 C ATOM 969 C ALA A 67 2.811 -2.901 -13.645 1.00 0.00 C ATOM 970 O ALA A 67 2.646 -3.189 -14.831 1.00 0.00 O ATOM 971 CB ALA A 67 4.473 -2.292 -11.873 1.00 0.00 C ATOM 0 H ALA A 67 5.190 -2.784 -14.604 1.00 0.00 H new ATOM 0 HA ALA A 67 3.890 -4.273 -12.414 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.658 -2.168 -11.159 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.367 -2.628 -11.348 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.676 -1.339 -12.361 1.00 0.00 H new ATOM 1119 N GLN A 77 -0.931 15.878 -22.306 1.00 0.00 N ATOM 1120 CA GLN A 77 -1.693 17.094 -22.563 1.00 0.00 C ATOM 1121 C GLN A 77 -0.767 18.204 -23.053 1.00 0.00 C ATOM 1122 O GLN A 77 0.451 18.026 -23.129 1.00 0.00 O ATOM 1123 CB GLN A 77 -2.443 17.562 -21.305 1.00 0.00 C ATOM 1124 CG GLN A 77 -1.542 17.870 -20.117 1.00 0.00 C ATOM 1125 CD GLN A 77 -1.166 16.628 -19.331 1.00 0.00 C ATOM 1126 OE1 GLN A 77 -1.941 15.679 -19.244 1.00 0.00 O ATOM 1127 NE2 GLN A 77 0.025 16.624 -18.756 1.00 0.00 N ATOM 0 HA GLN A 77 -2.428 16.868 -23.335 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.019 18.454 -21.550 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.157 16.792 -21.014 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.635 18.359 -20.471 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.047 18.574 -19.456 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.640 17.432 -18.852 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.328 15.813 -18.217 1.00 0.00 H new ATOM 1136 N ARG A 78 -1.352 19.351 -23.374 1.00 0.00 N ATOM 1137 CA ARG A 78 -0.599 20.481 -23.901 1.00 0.00 C ATOM 1138 C ARG A 78 -0.659 21.640 -22.920 1.00 0.00 C ATOM 1139 O ARG A 78 -1.727 22.202 -22.667 1.00 0.00 O ATOM 1140 CB ARG A 78 -1.140 20.930 -25.264 1.00 0.00 C ATOM 1141 CG ARG A 78 -1.021 19.883 -26.364 1.00 0.00 C ATOM 1142 CD ARG A 78 -2.147 18.863 -26.299 1.00 0.00 C ATOM 1143 NE ARG A 78 -2.006 17.811 -27.304 1.00 0.00 N ATOM 1144 CZ ARG A 78 -2.590 16.614 -27.213 1.00 0.00 C ATOM 1145 NH1 ARG A 78 -3.392 16.341 -26.190 1.00 0.00 N ATOM 1146 NH2 ARG A 78 -2.392 15.698 -28.152 1.00 0.00 N ATOM 0 H ARG A 78 -2.353 19.523 -23.277 1.00 0.00 H new ATOM 0 HA ARG A 78 0.435 20.163 -24.036 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.189 21.205 -25.152 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.607 21.828 -25.575 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.032 20.375 -27.337 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.062 19.372 -26.277 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.169 18.413 -25.307 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.101 19.370 -26.440 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.428 18.003 -28.122 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.562 17.046 -25.473 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.838 15.426 -26.121 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.791 15.906 -28.949 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.841 14.785 -28.077 1.00 0.00 H new ATOM 1160 N VAL A 79 0.485 21.982 -22.360 1.00 0.00 N ATOM 1161 CA VAL A 79 0.554 22.999 -21.321 1.00 0.00 C ATOM 1162 C VAL A 79 1.161 24.295 -21.862 1.00 0.00 C ATOM 1163 O VAL A 79 2.185 24.264 -22.551 1.00 0.00 O ATOM 1164 CB VAL A 79 1.396 22.506 -20.124 1.00 0.00 C ATOM 1165 CG1 VAL A 79 1.183 23.394 -18.908 1.00 0.00 C ATOM 1166 CG2 VAL A 79 1.072 21.058 -19.787 1.00 0.00 C ATOM 0 H VAL A 79 1.385 21.570 -22.606 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.465 23.194 -20.988 1.00 0.00 H new ATOM 0 HB VAL A 79 2.446 22.563 -20.412 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.787 23.026 -18.078 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.479 24.415 -19.147 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.130 23.378 -18.626 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.679 20.737 -18.941 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.016 20.972 -19.530 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.288 20.427 -20.649 1.00 0.00 H new ATOM 1176 N PRO A 80 0.524 25.447 -21.569 1.00 0.00 N ATOM 1177 CA PRO A 80 1.025 26.768 -21.976 1.00 0.00 C ATOM 1178 C PRO A 80 2.415 27.042 -21.412 1.00 0.00 C ATOM 1179 O PRO A 80 2.658 26.848 -20.225 1.00 0.00 O ATOM 1180 CB PRO A 80 0.014 27.752 -21.377 1.00 0.00 C ATOM 1181 CG PRO A 80 -1.202 26.946 -21.083 1.00 0.00 C ATOM 1182 CD PRO A 80 -0.735 25.545 -20.812 1.00 0.00 C ATOM 0 HA PRO A 80 1.118 26.848 -23.059 1.00 0.00 H new ATOM 0 HB2 PRO A 80 0.406 28.214 -20.471 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.209 28.558 -22.076 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.735 27.350 -20.222 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -1.894 26.967 -21.925 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.577 25.374 -19.747 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.464 24.807 -21.148 1.00 0.00 H new ATOM 1190 N LYS A 81 3.316 27.498 -22.273 1.00 0.00 N ATOM 1191 CA LYS A 81 4.717 27.709 -21.910 1.00 0.00 C ATOM 1192 C LYS A 81 4.888 28.683 -20.748 1.00 0.00 C ATOM 1193 O LYS A 81 5.896 28.640 -20.044 1.00 0.00 O ATOM 1194 CB LYS A 81 5.492 28.219 -23.118 1.00 0.00 C ATOM 1195 CG LYS A 81 5.311 27.347 -24.346 1.00 0.00 C ATOM 1196 CD LYS A 81 6.561 27.293 -25.197 1.00 0.00 C ATOM 1197 CE LYS A 81 6.987 28.674 -25.676 1.00 0.00 C ATOM 1198 NZ LYS A 81 8.255 28.633 -26.453 1.00 0.00 N ATOM 0 H LYS A 81 3.100 27.733 -23.242 1.00 0.00 H new ATOM 0 HA LYS A 81 5.109 26.745 -21.585 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.169 29.234 -23.349 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.552 28.271 -22.868 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.040 26.338 -24.036 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.483 27.730 -24.943 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.371 26.843 -24.623 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.385 26.649 -26.059 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.198 29.102 -26.294 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.111 29.333 -24.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.506 29.595 -26.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.016 28.250 -25.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.131 28.026 -27.288 1.00 0.00 H new ATOM 1212 N ASP A 82 3.908 29.555 -20.559 1.00 0.00 N ATOM 1213 CA ASP A 82 3.949 30.545 -19.482 1.00 0.00 C ATOM 1214 C ASP A 82 4.089 29.877 -18.115 1.00 0.00 C ATOM 1215 O ASP A 82 4.862 30.332 -17.269 1.00 0.00 O ATOM 1216 CB ASP A 82 2.690 31.415 -19.499 1.00 0.00 C ATOM 1217 CG ASP A 82 2.661 32.401 -18.347 1.00 0.00 C ATOM 1218 OD1 ASP A 82 3.309 33.463 -18.455 1.00 0.00 O ATOM 1219 OD2 ASP A 82 2.009 32.111 -17.321 1.00 0.00 O ATOM 0 H ASP A 82 3.070 29.600 -21.138 1.00 0.00 H new ATOM 0 HA ASP A 82 4.823 31.173 -19.652 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.639 31.959 -20.442 1.00 0.00 H new ATOM 0 HB3 ASP A 82 1.808 30.776 -19.451 1.00 0.00 H new ATOM 1224 N VAL A 83 3.329 28.803 -17.909 1.00 0.00 N ATOM 1225 CA VAL A 83 3.336 28.073 -16.655 1.00 0.00 C ATOM 1226 C VAL A 83 4.740 27.604 -16.264 1.00 0.00 C ATOM 1227 O VAL A 83 5.088 27.570 -15.086 1.00 0.00 O ATOM 1228 CB VAL A 83 2.387 26.875 -16.714 1.00 0.00 C ATOM 1229 CG1 VAL A 83 1.044 27.253 -17.320 1.00 0.00 C ATOM 1230 CG2 VAL A 83 3.013 25.732 -17.456 1.00 0.00 C ATOM 0 H VAL A 83 2.694 28.420 -18.609 1.00 0.00 H new ATOM 0 HA VAL A 83 2.991 28.767 -15.889 1.00 0.00 H new ATOM 0 HB VAL A 83 2.201 26.552 -15.690 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.397 26.376 -17.345 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.578 28.031 -16.715 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.194 27.623 -18.334 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.318 24.892 -17.484 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.247 26.044 -18.474 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.929 25.428 -16.950 1.00 0.00 H new ATOM 1240 N PHE A 84 5.549 27.291 -17.265 1.00 0.00 N ATOM 1241 CA PHE A 84 6.903 26.788 -17.051 1.00 0.00 C ATOM 1242 C PHE A 84 7.912 27.927 -17.000 1.00 0.00 C ATOM 1243 O PHE A 84 9.014 27.823 -17.539 1.00 0.00 O ATOM 1244 CB PHE A 84 7.298 25.813 -18.158 1.00 0.00 C ATOM 1245 CG PHE A 84 6.417 24.604 -18.270 1.00 0.00 C ATOM 1246 CD1 PHE A 84 6.417 23.635 -17.280 1.00 0.00 C ATOM 1247 CD2 PHE A 84 5.602 24.430 -19.377 1.00 0.00 C ATOM 1248 CE1 PHE A 84 5.618 22.515 -17.393 1.00 0.00 C ATOM 1249 CE2 PHE A 84 4.800 23.313 -19.492 1.00 0.00 C ATOM 1250 CZ PHE A 84 4.809 22.353 -18.501 1.00 0.00 C ATOM 0 H PHE A 84 5.289 27.377 -18.247 1.00 0.00 H new ATOM 0 HA PHE A 84 6.910 26.269 -16.093 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.289 26.343 -19.111 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.323 25.485 -17.986 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.048 23.757 -16.412 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.594 25.176 -20.158 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.625 21.766 -16.615 1.00 0.00 H new ATOM 0 HE2 PHE A 84 4.166 23.190 -20.357 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.185 21.476 -18.591 1.00 0.00 H new ATOM 1260 N MET A 85 7.524 29.013 -16.351 1.00 0.00 N ATOM 1261 CA MET A 85 8.356 30.208 -16.263 1.00 0.00 C ATOM 1262 C MET A 85 9.725 29.920 -15.640 1.00 0.00 C ATOM 1263 O MET A 85 10.705 30.598 -15.947 1.00 0.00 O ATOM 1264 CB MET A 85 7.642 31.282 -15.450 1.00 0.00 C ATOM 1265 CG MET A 85 7.236 30.812 -14.067 1.00 0.00 C ATOM 1266 SD MET A 85 6.979 32.170 -12.913 1.00 0.00 S ATOM 1267 CE MET A 85 8.648 32.808 -12.801 1.00 0.00 C ATOM 0 H MET A 85 6.628 29.094 -15.871 1.00 0.00 H new ATOM 0 HA MET A 85 8.524 30.558 -17.281 1.00 0.00 H new ATOM 0 HB2 MET A 85 8.294 32.150 -15.355 1.00 0.00 H new ATOM 0 HB3 MET A 85 6.754 31.608 -15.991 1.00 0.00 H new ATOM 0 HG2 MET A 85 6.319 30.227 -14.142 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.006 30.148 -13.674 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.799 33.262 -11.822 1.00 0.00 H new ATOM 0 HE2 MET A 85 9.359 31.993 -12.937 1.00 0.00 H new ATOM 0 HE3 MET A 85 8.804 33.558 -13.576 1.00 0.00 H new ATOM 1277 N GLY A 86 9.785 28.921 -14.769 1.00 0.00 N ATOM 1278 CA GLY A 86 11.031 28.581 -14.109 1.00 0.00 C ATOM 1279 C GLY A 86 11.943 27.728 -14.970 1.00 0.00 C ATOM 1280 O GLY A 86 13.135 27.607 -14.685 1.00 0.00 O ATOM 0 H GLY A 86 8.990 28.338 -14.507 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.552 29.498 -13.834 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.812 28.049 -13.183 1.00 0.00 H new ATOM 1284 N VAL A 87 11.396 27.149 -16.032 1.00 0.00 N ATOM 1285 CA VAL A 87 12.177 26.285 -16.909 1.00 0.00 C ATOM 1286 C VAL A 87 13.129 27.111 -17.758 1.00 0.00 C ATOM 1287 O VAL A 87 12.786 28.217 -18.175 1.00 0.00 O ATOM 1288 CB VAL A 87 11.287 25.432 -17.826 1.00 0.00 C ATOM 1289 CG1 VAL A 87 12.130 24.595 -18.781 1.00 0.00 C ATOM 1290 CG2 VAL A 87 10.365 24.546 -17.001 1.00 0.00 C ATOM 0 H VAL A 87 10.420 27.261 -16.306 1.00 0.00 H new ATOM 0 HA VAL A 87 12.744 25.611 -16.266 1.00 0.00 H new ATOM 0 HB VAL A 87 10.672 26.105 -18.424 1.00 0.00 H new ATOM 0 HG11 VAL A 87 11.475 24.001 -19.419 1.00 0.00 H new ATOM 0 HG12 VAL A 87 12.740 25.253 -19.400 1.00 0.00 H new ATOM 0 HG13 VAL A 87 12.778 23.932 -18.208 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.742 23.949 -17.667 1.00 0.00 H new ATOM 0 HG22 VAL A 87 10.962 23.885 -16.373 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.730 25.169 -16.371 1.00 0.00 H new ATOM 1300 N ASP A 88 14.326 26.595 -17.985 1.00 0.00 N ATOM 1301 CA ASP A 88 15.315 27.308 -18.777 1.00 0.00 C ATOM 1302 C ASP A 88 14.811 27.544 -20.192 1.00 0.00 C ATOM 1303 O ASP A 88 14.539 28.682 -20.590 1.00 0.00 O ATOM 1304 CB ASP A 88 16.641 26.553 -18.800 1.00 0.00 C ATOM 1305 CG ASP A 88 17.718 27.315 -19.545 1.00 0.00 C ATOM 1306 OD1 ASP A 88 18.007 28.470 -19.164 1.00 0.00 O ATOM 1307 OD2 ASP A 88 18.293 26.757 -20.505 1.00 0.00 O ATOM 0 H ASP A 88 14.636 25.689 -17.634 1.00 0.00 H new ATOM 0 HA ASP A 88 15.482 28.278 -18.308 1.00 0.00 H new ATOM 0 HB2 ASP A 88 16.970 26.368 -17.777 1.00 0.00 H new ATOM 0 HB3 ASP A 88 16.496 25.580 -19.269 1.00 0.00 H new ATOM 1312 N GLU A 89 14.680 26.465 -20.937 1.00 0.00 N ATOM 1313 CA GLU A 89 14.175 26.512 -22.290 1.00 0.00 C ATOM 1314 C GLU A 89 13.303 25.309 -22.569 1.00 0.00 C ATOM 1315 O GLU A 89 13.773 24.176 -22.545 1.00 0.00 O ATOM 1316 CB GLU A 89 15.311 26.537 -23.280 1.00 0.00 C ATOM 1317 CG GLU A 89 15.863 27.917 -23.533 1.00 0.00 C ATOM 1318 CD GLU A 89 16.903 27.925 -24.630 1.00 0.00 C ATOM 1319 OE1 GLU A 89 16.519 27.998 -25.819 1.00 0.00 O ATOM 1320 OE2 GLU A 89 18.107 27.839 -24.319 1.00 0.00 O ATOM 0 H GLU A 89 14.923 25.527 -20.617 1.00 0.00 H new ATOM 0 HA GLU A 89 13.585 27.422 -22.396 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.113 25.895 -22.916 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.968 26.114 -24.224 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.048 28.588 -23.803 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.304 28.304 -22.614 1.00 0.00 H new ATOM 1327 N LEU A 90 12.035 25.555 -22.814 1.00 0.00 N ATOM 1328 CA LEU A 90 11.125 24.490 -23.187 1.00 0.00 C ATOM 1329 C LEU A 90 11.503 23.931 -24.548 1.00 0.00 C ATOM 1330 O LEU A 90 11.177 24.507 -25.586 1.00 0.00 O ATOM 1331 CB LEU A 90 9.689 24.988 -23.199 1.00 0.00 C ATOM 1332 CG LEU A 90 9.134 25.354 -21.827 1.00 0.00 C ATOM 1333 CD1 LEU A 90 7.722 25.884 -21.961 1.00 0.00 C ATOM 1334 CD2 LEU A 90 9.170 24.147 -20.903 1.00 0.00 C ATOM 0 H LEU A 90 11.609 26.481 -22.762 1.00 0.00 H new ATOM 0 HA LEU A 90 11.203 23.694 -22.446 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.627 25.862 -23.847 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.055 24.219 -23.640 1.00 0.00 H new ATOM 0 HG LEU A 90 9.757 26.136 -21.392 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.335 26.142 -20.975 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.725 26.772 -22.594 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.088 25.120 -22.411 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.771 24.424 -19.927 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.566 23.345 -21.328 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.199 23.806 -20.790 1.00 0.00 H new ATOM 1346 N GLN A 91 12.211 22.818 -24.527 1.00 0.00 N ATOM 1347 CA GLN A 91 12.683 22.178 -25.741 1.00 0.00 C ATOM 1348 C GLN A 91 12.137 20.763 -25.804 1.00 0.00 C ATOM 1349 O GLN A 91 11.673 20.227 -24.798 1.00 0.00 O ATOM 1350 CB GLN A 91 14.209 22.129 -25.744 1.00 0.00 C ATOM 1351 CG GLN A 91 14.828 22.056 -27.133 1.00 0.00 C ATOM 1352 CD GLN A 91 16.318 21.775 -27.094 1.00 0.00 C ATOM 1353 OE1 GLN A 91 16.871 21.169 -28.012 1.00 0.00 O ATOM 1354 NE2 GLN A 91 16.980 22.209 -26.032 1.00 0.00 N ATOM 0 H GLN A 91 12.475 22.332 -23.670 1.00 0.00 H new ATOM 0 HA GLN A 91 12.340 22.748 -26.605 1.00 0.00 H new ATOM 0 HB2 GLN A 91 14.591 23.014 -25.234 1.00 0.00 H new ATOM 0 HB3 GLN A 91 14.535 21.263 -25.167 1.00 0.00 H new ATOM 0 HG2 GLN A 91 14.330 21.275 -27.708 1.00 0.00 H new ATOM 0 HG3 GLN A 91 14.653 22.997 -27.655 1.00 0.00 H new ATOM 0 HE21 GLN A 91 16.486 22.708 -25.292 1.00 0.00 H new ATOM 0 HE22 GLN A 91 17.984 22.045 -25.954 1.00 0.00 H new ATOM 1363 N VAL A 92 12.227 20.148 -26.967 1.00 0.00 N ATOM 1364 CA VAL A 92 11.759 18.788 -27.143 1.00 0.00 C ATOM 1365 C VAL A 92 12.813 17.824 -26.612 1.00 0.00 C ATOM 1366 O VAL A 92 14.010 18.044 -26.806 1.00 0.00 O ATOM 1367 CB VAL A 92 11.480 18.471 -28.628 1.00 0.00 C ATOM 1368 CG1 VAL A 92 10.927 17.068 -28.780 1.00 0.00 C ATOM 1369 CG2 VAL A 92 10.529 19.496 -29.229 1.00 0.00 C ATOM 0 H VAL A 92 12.622 20.571 -27.807 1.00 0.00 H new ATOM 0 HA VAL A 92 10.825 18.675 -26.592 1.00 0.00 H new ATOM 0 HB VAL A 92 12.423 18.526 -29.172 1.00 0.00 H new ATOM 0 HG11 VAL A 92 10.737 16.864 -29.834 1.00 0.00 H new ATOM 0 HG12 VAL A 92 11.650 16.348 -28.396 1.00 0.00 H new ATOM 0 HG13 VAL A 92 9.996 16.981 -28.220 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.346 19.253 -30.276 1.00 0.00 H new ATOM 0 HG22 VAL A 92 9.586 19.481 -28.683 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.973 20.489 -29.159 1.00 0.00 H new ATOM 1379 N GLY A 93 12.376 16.772 -25.941 1.00 0.00 N ATOM 1380 CA GLY A 93 13.307 15.829 -25.372 1.00 0.00 C ATOM 1381 C GLY A 93 13.725 16.212 -23.966 1.00 0.00 C ATOM 1382 O GLY A 93 14.538 15.525 -23.343 1.00 0.00 O ATOM 0 H GLY A 93 11.392 16.556 -25.781 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.854 14.838 -25.357 1.00 0.00 H new ATOM 0 HA3 GLY A 93 14.191 15.766 -26.007 1.00 0.00 H new ATOM 1386 N MET A 94 13.173 17.312 -23.463 1.00 0.00 N ATOM 1387 CA MET A 94 13.528 17.795 -22.136 1.00 0.00 C ATOM 1388 C MET A 94 12.654 17.147 -21.084 1.00 0.00 C ATOM 1389 O MET A 94 11.436 17.041 -21.245 1.00 0.00 O ATOM 1390 CB MET A 94 13.391 19.316 -22.057 1.00 0.00 C ATOM 1391 CG MET A 94 14.506 20.069 -22.760 1.00 0.00 C ATOM 1392 SD MET A 94 15.675 20.812 -21.604 1.00 0.00 S ATOM 1393 CE MET A 94 14.604 21.971 -20.749 1.00 0.00 C ATOM 0 H MET A 94 12.482 17.882 -23.952 1.00 0.00 H new ATOM 0 HA MET A 94 14.568 17.527 -21.948 1.00 0.00 H new ATOM 0 HB2 MET A 94 12.436 19.609 -22.494 1.00 0.00 H new ATOM 0 HB3 MET A 94 13.367 19.615 -21.009 1.00 0.00 H new ATOM 0 HG2 MET A 94 15.039 19.387 -23.422 1.00 0.00 H new ATOM 0 HG3 MET A 94 14.074 20.849 -23.387 1.00 0.00 H new ATOM 0 HE1 MET A 94 15.062 22.960 -20.752 1.00 0.00 H new ATOM 0 HE2 MET A 94 13.640 22.017 -21.255 1.00 0.00 H new ATOM 0 HE3 MET A 94 14.459 21.641 -19.720 1.00 0.00 H new ATOM 1403 N ARG A 95 13.291 16.718 -20.011 1.00 0.00 N ATOM 1404 CA ARG A 95 12.606 16.105 -18.897 1.00 0.00 C ATOM 1405 C ARG A 95 12.657 17.011 -17.685 1.00 0.00 C ATOM 1406 O ARG A 95 13.677 17.648 -17.417 1.00 0.00 O ATOM 1407 CB ARG A 95 13.257 14.777 -18.554 1.00 0.00 C ATOM 1408 CG ARG A 95 12.864 13.637 -19.469 1.00 0.00 C ATOM 1409 CD ARG A 95 13.342 12.305 -18.919 1.00 0.00 C ATOM 1410 NE ARG A 95 13.270 11.237 -19.910 1.00 0.00 N ATOM 1411 CZ ARG A 95 13.307 9.939 -19.613 1.00 0.00 C ATOM 1412 NH1 ARG A 95 13.248 9.538 -18.350 1.00 0.00 N ATOM 1413 NH2 ARG A 95 13.377 9.040 -20.583 1.00 0.00 N ATOM 0 H ARG A 95 14.302 16.787 -19.890 1.00 0.00 H new ATOM 0 HA ARG A 95 11.566 15.941 -19.180 1.00 0.00 H new ATOM 0 HB2 ARG A 95 14.340 14.897 -18.587 1.00 0.00 H new ATOM 0 HB3 ARG A 95 12.997 14.512 -17.529 1.00 0.00 H new ATOM 0 HG2 ARG A 95 11.781 13.618 -19.586 1.00 0.00 H new ATOM 0 HG3 ARG A 95 13.289 13.799 -20.460 1.00 0.00 H new ATOM 0 HD2 ARG A 95 14.370 12.406 -18.572 1.00 0.00 H new ATOM 0 HD3 ARG A 95 12.738 12.035 -18.053 1.00 0.00 H new ATOM 0 HE ARG A 95 13.186 11.501 -20.892 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.174 10.225 -17.600 1.00 0.00 H new ATOM 0 HH12 ARG A 95 13.277 8.543 -18.129 1.00 0.00 H new ATOM 0 HH21 ARG A 95 13.403 9.342 -21.557 1.00 0.00 H new ATOM 0 HH22 ARG A 95 13.405 8.046 -20.356 1.00 0.00 H new ATOM 1427 N PHE A 96 11.550 17.076 -16.974 1.00 0.00 N ATOM 1428 CA PHE A 96 11.467 17.844 -15.745 1.00 0.00 C ATOM 1429 C PHE A 96 10.245 17.417 -14.954 1.00 0.00 C ATOM 1430 O PHE A 96 9.285 16.889 -15.520 1.00 0.00 O ATOM 1431 CB PHE A 96 11.417 19.352 -16.043 1.00 0.00 C ATOM 1432 CG PHE A 96 10.409 19.752 -17.089 1.00 0.00 C ATOM 1433 CD1 PHE A 96 9.060 19.845 -16.783 1.00 0.00 C ATOM 1434 CD2 PHE A 96 10.817 20.044 -18.383 1.00 0.00 C ATOM 1435 CE1 PHE A 96 8.142 20.218 -17.744 1.00 0.00 C ATOM 1436 CE2 PHE A 96 9.903 20.418 -19.345 1.00 0.00 C ATOM 1437 CZ PHE A 96 8.563 20.505 -19.027 1.00 0.00 C ATOM 0 H PHE A 96 10.684 16.600 -17.229 1.00 0.00 H new ATOM 0 HA PHE A 96 12.360 17.650 -15.151 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.192 19.884 -15.119 1.00 0.00 H new ATOM 0 HB3 PHE A 96 12.406 19.678 -16.367 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.723 19.623 -15.781 1.00 0.00 H new ATOM 0 HD2 PHE A 96 11.864 19.977 -18.640 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.094 20.285 -17.492 1.00 0.00 H new ATOM 0 HE2 PHE A 96 10.236 20.643 -20.348 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.846 20.797 -19.780 1.00 0.00 H new ATOM 1447 N LEU A 97 10.289 17.603 -13.646 1.00 0.00 N ATOM 1448 CA LEU A 97 9.105 17.414 -12.837 1.00 0.00 C ATOM 1449 C LEU A 97 8.216 18.628 -13.003 1.00 0.00 C ATOM 1450 O LEU A 97 8.679 19.765 -12.908 1.00 0.00 O ATOM 1451 CB LEU A 97 9.441 17.205 -11.357 1.00 0.00 C ATOM 1452 CG LEU A 97 8.242 16.967 -10.453 1.00 0.00 C ATOM 1453 CD1 LEU A 97 7.475 15.737 -10.911 1.00 0.00 C ATOM 1454 CD2 LEU A 97 8.683 16.804 -9.009 1.00 0.00 C ATOM 0 H LEU A 97 11.123 17.882 -13.129 1.00 0.00 H new ATOM 0 HA LEU A 97 8.594 16.512 -13.174 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.117 16.354 -11.270 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.981 18.080 -10.996 1.00 0.00 H new ATOM 0 HG LEU A 97 7.586 17.835 -10.516 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.619 15.577 -10.256 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.127 15.885 -11.933 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.129 14.866 -10.873 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.810 16.635 -8.379 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.359 15.953 -8.929 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.197 17.708 -8.681 1.00 0.00 H new ATOM 1466 N ALA A 98 6.954 18.378 -13.264 1.00 0.00 N ATOM 1467 CA ALA A 98 6.012 19.440 -13.534 1.00 0.00 C ATOM 1468 C ALA A 98 4.914 19.398 -12.508 1.00 0.00 C ATOM 1469 O ALA A 98 4.407 18.334 -12.194 1.00 0.00 O ATOM 1470 CB ALA A 98 5.431 19.298 -14.932 1.00 0.00 C ATOM 0 H ALA A 98 6.553 17.441 -13.295 1.00 0.00 H new ATOM 0 HA ALA A 98 6.528 20.399 -13.478 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.724 20.107 -15.116 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.235 19.344 -15.667 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.917 18.341 -15.017 1.00 0.00 H new ATOM 1476 N GLU A 99 4.549 20.531 -11.972 1.00 0.00 N ATOM 1477 CA GLU A 99 3.458 20.557 -11.034 1.00 0.00 C ATOM 1478 C GLU A 99 2.177 20.751 -11.823 1.00 0.00 C ATOM 1479 O GLU A 99 2.136 21.565 -12.747 1.00 0.00 O ATOM 1480 CB GLU A 99 3.681 21.657 -9.995 1.00 0.00 C ATOM 1481 CG GLU A 99 5.038 21.541 -9.315 1.00 0.00 C ATOM 1482 CD GLU A 99 5.202 22.465 -8.131 1.00 0.00 C ATOM 1483 OE1 GLU A 99 5.192 23.698 -8.324 1.00 0.00 O ATOM 1484 OE2 GLU A 99 5.366 21.958 -7.001 1.00 0.00 O ATOM 0 H GLU A 99 4.982 21.435 -12.164 1.00 0.00 H new ATOM 0 HA GLU A 99 3.391 19.622 -10.478 1.00 0.00 H new ATOM 0 HB2 GLU A 99 3.601 22.631 -10.477 1.00 0.00 H new ATOM 0 HB3 GLU A 99 2.894 21.608 -9.242 1.00 0.00 H new ATOM 0 HG2 GLU A 99 5.183 20.512 -8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 99 5.820 21.755 -10.044 1.00 0.00 H new ATOM 1491 N THR A 100 1.134 20.016 -11.470 1.00 0.00 N ATOM 1492 CA THR A 100 -0.056 19.964 -12.309 1.00 0.00 C ATOM 1493 C THR A 100 -1.301 19.844 -11.441 1.00 0.00 C ATOM 1494 O THR A 100 -1.209 19.879 -10.210 1.00 0.00 O ATOM 1495 CB THR A 100 -0.041 18.777 -13.310 1.00 0.00 C ATOM 1496 OG1 THR A 100 -0.176 17.538 -12.608 1.00 0.00 O ATOM 1497 CG2 THR A 100 1.235 18.749 -14.145 1.00 0.00 C ATOM 0 H THR A 100 1.085 19.454 -10.620 1.00 0.00 H new ATOM 0 HA THR A 100 -0.066 20.890 -12.884 1.00 0.00 H new ATOM 0 HB THR A 100 -0.884 18.915 -13.987 1.00 0.00 H new ATOM 0 HG1 THR A 100 0.425 17.533 -11.834 1.00 0.00 H new ATOM 0 HG21 THR A 100 1.202 17.903 -14.831 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.318 19.675 -14.714 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.098 18.650 -13.487 1.00 0.00 H new ATOM 1505 N ASP A 101 -2.453 19.708 -12.080 1.00 0.00 N ATOM 1506 CA ASP A 101 -3.702 19.420 -11.376 1.00 0.00 C ATOM 1507 C ASP A 101 -3.553 18.163 -10.527 1.00 0.00 C ATOM 1508 O ASP A 101 -4.074 18.063 -9.416 1.00 0.00 O ATOM 1509 CB ASP A 101 -4.829 19.224 -12.394 1.00 0.00 C ATOM 1510 CG ASP A 101 -6.118 18.747 -11.760 1.00 0.00 C ATOM 1511 OD1 ASP A 101 -6.898 19.593 -11.284 1.00 0.00 O ATOM 1512 OD2 ASP A 101 -6.362 17.523 -11.747 1.00 0.00 O ATOM 0 H ASP A 101 -2.553 19.792 -13.092 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.942 20.259 -10.722 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.011 20.165 -12.912 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.511 18.502 -13.146 1.00 0.00 H new ATOM 1517 N GLN A 102 -2.790 17.236 -11.066 1.00 0.00 N ATOM 1518 CA GLN A 102 -2.636 15.915 -10.502 1.00 0.00 C ATOM 1519 C GLN A 102 -1.362 15.813 -9.668 1.00 0.00 C ATOM 1520 O GLN A 102 -0.832 14.722 -9.462 1.00 0.00 O ATOM 1521 CB GLN A 102 -2.620 14.911 -11.644 1.00 0.00 C ATOM 1522 CG GLN A 102 -3.104 15.511 -12.961 1.00 0.00 C ATOM 1523 CD GLN A 102 -3.463 14.481 -14.012 1.00 0.00 C ATOM 1524 OE1 GLN A 102 -2.913 13.383 -14.053 1.00 0.00 O ATOM 1525 NE2 GLN A 102 -4.398 14.847 -14.875 1.00 0.00 N ATOM 0 H GLN A 102 -2.252 17.383 -11.920 1.00 0.00 H new ATOM 0 HA GLN A 102 -3.469 15.704 -9.831 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -1.607 14.530 -11.773 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -3.250 14.060 -11.384 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.976 16.135 -12.765 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.327 16.165 -13.358 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -4.827 15.770 -14.802 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -4.690 14.206 -15.613 1.00 0.00 H new ATOM 1534 N GLY A 103 -0.903 16.947 -9.152 1.00 0.00 N ATOM 1535 CA GLY A 103 0.349 16.963 -8.416 1.00 0.00 C ATOM 1536 C GLY A 103 1.539 17.026 -9.338 1.00 0.00 C ATOM 1537 O GLY A 103 1.381 17.235 -10.538 1.00 0.00 O ATOM 0 H GLY A 103 -1.371 17.850 -9.229 1.00 0.00 H new ATOM 0 HA2 GLY A 103 0.364 17.821 -7.743 1.00 0.00 H new ATOM 0 HA3 GLY A 103 0.417 16.070 -7.795 1.00 0.00 H new ATOM 1541 N PRO A 104 2.752 16.912 -8.798 1.00 0.00 N ATOM 1542 CA PRO A 104 3.951 16.780 -9.608 1.00 0.00 C ATOM 1543 C PRO A 104 3.897 15.563 -10.511 1.00 0.00 C ATOM 1544 O PRO A 104 3.742 14.430 -10.057 1.00 0.00 O ATOM 1545 CB PRO A 104 5.079 16.620 -8.600 1.00 0.00 C ATOM 1546 CG PRO A 104 4.536 17.174 -7.326 1.00 0.00 C ATOM 1547 CD PRO A 104 3.050 16.947 -7.363 1.00 0.00 C ATOM 0 HA PRO A 104 4.077 17.640 -10.266 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.362 15.574 -8.487 1.00 0.00 H new ATOM 0 HB3 PRO A 104 5.972 17.159 -8.917 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.983 16.677 -6.465 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.764 18.236 -7.236 1.00 0.00 H new ATOM 0 HD2 PRO A 104 2.773 16.015 -6.871 1.00 0.00 H new ATOM 0 HD3 PRO A 104 2.508 17.747 -6.859 1.00 0.00 H new ATOM 1555 N VAL A 105 4.061 15.829 -11.781 1.00 0.00 N ATOM 1556 CA VAL A 105 4.041 14.806 -12.809 1.00 0.00 C ATOM 1557 C VAL A 105 5.330 14.872 -13.620 1.00 0.00 C ATOM 1558 O VAL A 105 5.600 15.872 -14.292 1.00 0.00 O ATOM 1559 CB VAL A 105 2.833 14.959 -13.755 1.00 0.00 C ATOM 1560 CG1 VAL A 105 2.855 13.890 -14.837 1.00 0.00 C ATOM 1561 CG2 VAL A 105 1.528 14.901 -12.980 1.00 0.00 C ATOM 0 H VAL A 105 4.214 16.771 -12.141 1.00 0.00 H new ATOM 0 HA VAL A 105 3.954 13.840 -12.311 1.00 0.00 H new ATOM 0 HB VAL A 105 2.904 15.935 -14.234 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.993 14.018 -15.492 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.771 13.981 -15.420 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.816 12.904 -14.375 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.691 15.011 -13.669 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.452 13.942 -12.467 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.504 15.708 -12.247 1.00 0.00 H new ATOM 1571 N PRO A 106 6.169 13.833 -13.528 1.00 0.00 N ATOM 1572 CA PRO A 106 7.415 13.749 -14.289 1.00 0.00 C ATOM 1573 C PRO A 106 7.146 13.485 -15.768 1.00 0.00 C ATOM 1574 O PRO A 106 6.871 12.354 -16.166 1.00 0.00 O ATOM 1575 CB PRO A 106 8.159 12.562 -13.647 1.00 0.00 C ATOM 1576 CG PRO A 106 7.396 12.233 -12.405 1.00 0.00 C ATOM 1577 CD PRO A 106 5.980 12.660 -12.669 1.00 0.00 C ATOM 0 HA PRO A 106 7.986 14.677 -14.255 1.00 0.00 H new ATOM 0 HB2 PRO A 106 8.193 11.708 -14.324 1.00 0.00 H new ATOM 0 HB3 PRO A 106 9.191 12.826 -13.415 1.00 0.00 H new ATOM 0 HG2 PRO A 106 7.448 11.167 -12.185 1.00 0.00 H new ATOM 0 HG3 PRO A 106 7.808 12.757 -11.543 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.405 11.879 -13.166 1.00 0.00 H new ATOM 0 HD3 PRO A 106 5.451 12.909 -11.749 1.00 0.00 H new ATOM 1585 N VAL A 107 7.230 14.528 -16.583 1.00 0.00 N ATOM 1586 CA VAL A 107 6.907 14.416 -17.998 1.00 0.00 C ATOM 1587 C VAL A 107 8.117 14.723 -18.864 1.00 0.00 C ATOM 1588 O VAL A 107 9.166 15.147 -18.367 1.00 0.00 O ATOM 1589 CB VAL A 107 5.770 15.386 -18.397 1.00 0.00 C ATOM 1590 CG1 VAL A 107 4.419 14.839 -17.965 1.00 0.00 C ATOM 1591 CG2 VAL A 107 6.006 16.763 -17.788 1.00 0.00 C ATOM 0 H VAL A 107 7.519 15.461 -16.288 1.00 0.00 H new ATOM 0 HA VAL A 107 6.585 13.387 -18.162 1.00 0.00 H new ATOM 0 HB VAL A 107 5.769 15.482 -19.483 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.634 15.537 -18.256 1.00 0.00 H new ATOM 0 HG12 VAL A 107 4.245 13.877 -18.446 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.408 14.710 -16.883 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.197 17.433 -18.079 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.036 16.680 -16.702 1.00 0.00 H new ATOM 0 HG23 VAL A 107 6.954 17.162 -18.148 1.00 0.00 H new ATOM 1601 N GLU A 108 7.955 14.512 -20.160 1.00 0.00 N ATOM 1602 CA GLU A 108 8.984 14.834 -21.122 1.00 0.00 C ATOM 1603 C GLU A 108 8.349 15.523 -22.318 1.00 0.00 C ATOM 1604 O GLU A 108 7.287 15.115 -22.794 1.00 0.00 O ATOM 1605 CB GLU A 108 9.750 13.577 -21.562 1.00 0.00 C ATOM 1606 CG GLU A 108 10.876 13.858 -22.551 1.00 0.00 C ATOM 1607 CD GLU A 108 11.556 12.597 -23.050 1.00 0.00 C ATOM 1608 OE1 GLU A 108 12.402 12.037 -22.322 1.00 0.00 O ATOM 1609 OE2 GLU A 108 11.247 12.158 -24.176 1.00 0.00 O ATOM 0 H GLU A 108 7.109 14.114 -20.568 1.00 0.00 H new ATOM 0 HA GLU A 108 9.705 15.505 -20.656 1.00 0.00 H new ATOM 0 HB2 GLU A 108 10.166 13.089 -20.681 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.049 12.875 -22.014 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.475 14.409 -23.402 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.618 14.500 -22.076 1.00 0.00 H new ATOM 1616 N ILE A 109 9.000 16.576 -22.771 1.00 0.00 N ATOM 1617 CA ILE A 109 8.482 17.371 -23.873 1.00 0.00 C ATOM 1618 C ILE A 109 8.732 16.658 -25.193 1.00 0.00 C ATOM 1619 O ILE A 109 9.851 16.240 -25.477 1.00 0.00 O ATOM 1620 CB ILE A 109 9.089 18.790 -23.905 1.00 0.00 C ATOM 1621 CG1 ILE A 109 8.667 19.577 -22.659 1.00 0.00 C ATOM 1622 CG2 ILE A 109 8.661 19.521 -25.166 1.00 0.00 C ATOM 1623 CD1 ILE A 109 9.076 21.039 -22.668 1.00 0.00 C ATOM 0 H ILE A 109 9.890 16.903 -22.394 1.00 0.00 H new ATOM 0 HA ILE A 109 7.409 17.484 -23.719 1.00 0.00 H new ATOM 0 HB ILE A 109 10.176 18.704 -23.909 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.583 19.517 -22.557 1.00 0.00 H new ATOM 0 HG13 ILE A 109 9.097 19.098 -21.779 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.097 20.520 -25.173 1.00 0.00 H new ATOM 0 HG22 ILE A 109 9.004 18.969 -26.041 1.00 0.00 H new ATOM 0 HG23 ILE A 109 7.574 19.600 -25.190 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.737 21.517 -21.749 1.00 0.00 H new ATOM 0 HD12 ILE A 109 10.161 21.113 -22.736 1.00 0.00 H new ATOM 0 HD13 ILE A 109 8.624 21.538 -23.525 1.00 0.00 H new ATOM 1635 N THR A 110 7.691 16.529 -25.999 1.00 0.00 N ATOM 1636 CA THR A 110 7.785 15.827 -27.270 1.00 0.00 C ATOM 1637 C THR A 110 7.557 16.803 -28.422 1.00 0.00 C ATOM 1638 O THR A 110 7.595 16.430 -29.598 1.00 0.00 O ATOM 1639 CB THR A 110 6.757 14.679 -27.345 1.00 0.00 C ATOM 1640 OG1 THR A 110 5.442 15.178 -27.072 1.00 0.00 O ATOM 1641 CG2 THR A 110 7.101 13.577 -26.352 1.00 0.00 C ATOM 0 H THR A 110 6.765 16.904 -25.794 1.00 0.00 H new ATOM 0 HA THR A 110 8.784 15.398 -27.350 1.00 0.00 H new ATOM 0 HB THR A 110 6.786 14.262 -28.352 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.796 14.443 -27.123 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.362 12.779 -26.424 1.00 0.00 H new ATOM 0 HG22 THR A 110 8.089 13.178 -26.580 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.098 13.984 -25.341 1.00 0.00 H new ATOM 1649 N ALA A 111 7.358 18.068 -28.052 1.00 0.00 N ATOM 1650 CA ALA A 111 7.066 19.138 -28.998 1.00 0.00 C ATOM 1651 C ALA A 111 6.853 20.442 -28.274 1.00 0.00 C ATOM 1652 O ALA A 111 6.444 20.466 -27.112 1.00 0.00 O ATOM 1653 CB ALA A 111 5.833 18.822 -29.825 1.00 0.00 C ATOM 0 H ALA A 111 7.396 18.378 -27.081 1.00 0.00 H new ATOM 0 HA ALA A 111 7.924 19.225 -29.664 1.00 0.00 H new ATOM 0 HB1 ALA A 111 5.642 19.639 -30.521 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.996 17.900 -30.384 1.00 0.00 H new ATOM 0 HB3 ALA A 111 4.974 18.699 -29.165 1.00 0.00 H new ATOM 1659 N VAL A 112 7.114 21.521 -28.977 1.00 0.00 N ATOM 1660 CA VAL A 112 6.945 22.852 -28.454 1.00 0.00 C ATOM 1661 C VAL A 112 6.348 23.703 -29.552 1.00 0.00 C ATOM 1662 O VAL A 112 7.013 24.008 -30.545 1.00 0.00 O ATOM 1663 CB VAL A 112 8.282 23.474 -27.998 1.00 0.00 C ATOM 1664 CG1 VAL A 112 8.058 24.866 -27.422 1.00 0.00 C ATOM 1665 CG2 VAL A 112 8.970 22.572 -26.988 1.00 0.00 C ATOM 0 H VAL A 112 7.453 21.495 -29.939 1.00 0.00 H new ATOM 0 HA VAL A 112 6.296 22.806 -27.579 1.00 0.00 H new ATOM 0 HB VAL A 112 8.933 23.570 -28.867 1.00 0.00 H new ATOM 0 HG11 VAL A 112 9.013 25.287 -27.106 1.00 0.00 H new ATOM 0 HG12 VAL A 112 7.612 25.507 -28.183 1.00 0.00 H new ATOM 0 HG13 VAL A 112 7.389 24.801 -26.564 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.911 23.025 -26.677 1.00 0.00 H new ATOM 0 HG22 VAL A 112 8.326 22.441 -26.119 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.168 21.601 -27.443 1.00 0.00 H new ATOM 1675 N GLU A 113 5.093 24.062 -29.400 1.00 0.00 N ATOM 1676 CA GLU A 113 4.392 24.812 -30.424 1.00 0.00 C ATOM 1677 C GLU A 113 4.616 26.307 -30.223 1.00 0.00 C ATOM 1678 O GLU A 113 5.596 26.719 -29.603 1.00 0.00 O ATOM 1679 CB GLU A 113 2.894 24.496 -30.376 1.00 0.00 C ATOM 1680 CG GLU A 113 2.584 23.012 -30.448 1.00 0.00 C ATOM 1681 CD GLU A 113 3.167 22.348 -31.681 1.00 0.00 C ATOM 1682 OE1 GLU A 113 2.739 22.688 -32.805 1.00 0.00 O ATOM 1683 OE2 GLU A 113 4.055 21.488 -31.535 1.00 0.00 O ATOM 0 H GLU A 113 4.533 23.847 -28.575 1.00 0.00 H new ATOM 0 HA GLU A 113 4.782 24.524 -31.400 1.00 0.00 H new ATOM 0 HB2 GLU A 113 2.475 24.902 -29.455 1.00 0.00 H new ATOM 0 HB3 GLU A 113 2.397 25.003 -31.203 1.00 0.00 H new ATOM 0 HG2 GLU A 113 2.975 22.520 -29.557 1.00 0.00 H new ATOM 0 HG3 GLU A 113 1.503 22.871 -30.442 1.00 0.00 H new ATOM 1690 N ASP A 114 3.696 27.109 -30.731 1.00 0.00 N ATOM 1691 CA ASP A 114 3.813 28.560 -30.661 1.00 0.00 C ATOM 1692 C ASP A 114 3.772 29.060 -29.223 1.00 0.00 C ATOM 1693 O ASP A 114 4.578 29.902 -28.827 1.00 0.00 O ATOM 1694 CB ASP A 114 2.688 29.226 -31.453 1.00 0.00 C ATOM 1695 CG ASP A 114 2.818 29.045 -32.950 1.00 0.00 C ATOM 1696 OD1 ASP A 114 2.388 27.989 -33.468 1.00 0.00 O ATOM 1697 OD2 ASP A 114 3.326 29.968 -33.620 1.00 0.00 O ATOM 0 H ASP A 114 2.853 26.779 -31.200 1.00 0.00 H new ATOM 0 HA ASP A 114 4.778 28.825 -31.094 1.00 0.00 H new ATOM 0 HB2 ASP A 114 1.732 28.816 -31.127 1.00 0.00 H new ATOM 0 HB3 ASP A 114 2.673 30.291 -31.223 1.00 0.00 H new ATOM 1702 N ASP A 115 2.854 28.523 -28.425 1.00 0.00 N ATOM 1703 CA ASP A 115 2.597 29.085 -27.098 1.00 0.00 C ATOM 1704 C ASP A 115 2.566 28.008 -26.017 1.00 0.00 C ATOM 1705 O ASP A 115 2.596 28.315 -24.829 1.00 0.00 O ATOM 1706 CB ASP A 115 1.282 29.854 -27.065 1.00 0.00 C ATOM 1707 CG ASP A 115 0.076 28.948 -27.228 1.00 0.00 C ATOM 1708 OD1 ASP A 115 -0.113 28.388 -28.327 1.00 0.00 O ATOM 1709 OD2 ASP A 115 -0.687 28.778 -26.255 1.00 0.00 O ATOM 0 H ASP A 115 2.283 27.713 -28.666 1.00 0.00 H new ATOM 0 HA ASP A 115 3.422 29.767 -26.892 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.203 30.392 -26.121 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.281 30.601 -27.859 1.00 0.00 H new ATOM 1714 N HIS A 116 2.458 26.755 -26.427 1.00 0.00 N ATOM 1715 CA HIS A 116 2.356 25.650 -25.484 1.00 0.00 C ATOM 1716 C HIS A 116 3.234 24.501 -25.921 1.00 0.00 C ATOM 1717 O HIS A 116 3.594 24.404 -27.093 1.00 0.00 O ATOM 1718 CB HIS A 116 0.901 25.185 -25.367 1.00 0.00 C ATOM 1719 CG HIS A 116 0.271 24.790 -26.673 1.00 0.00 C ATOM 1720 ND1 HIS A 116 -0.373 25.687 -27.499 1.00 0.00 N ATOM 1721 CD2 HIS A 116 0.205 23.591 -27.304 1.00 0.00 C ATOM 1722 CE1 HIS A 116 -0.802 25.060 -28.577 1.00 0.00 C ATOM 1723 NE2 HIS A 116 -0.465 23.790 -28.485 1.00 0.00 N ATOM 0 H HIS A 116 2.439 26.476 -27.408 1.00 0.00 H new ATOM 0 HA HIS A 116 2.695 25.996 -24.508 1.00 0.00 H new ATOM 0 HB2 HIS A 116 0.857 24.336 -24.684 1.00 0.00 H new ATOM 0 HB3 HIS A 116 0.311 25.985 -24.920 1.00 0.00 H new ATOM 0 HD2 HIS A 116 0.605 22.655 -26.944 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -1.339 25.512 -29.398 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -0.669 23.071 -29.179 1.00 0.00 H new ATOM 1732 N VAL A 117 3.575 23.627 -24.992 1.00 0.00 N ATOM 1733 CA VAL A 117 4.400 22.480 -25.301 1.00 0.00 C ATOM 1734 C VAL A 117 3.587 21.205 -25.152 1.00 0.00 C ATOM 1735 O VAL A 117 2.522 21.198 -24.526 1.00 0.00 O ATOM 1736 CB VAL A 117 5.626 22.398 -24.374 1.00 0.00 C ATOM 1737 CG1 VAL A 117 6.497 23.628 -24.521 1.00 0.00 C ATOM 1738 CG2 VAL A 117 5.190 22.226 -22.932 1.00 0.00 C ATOM 0 H VAL A 117 3.291 23.693 -24.015 1.00 0.00 H new ATOM 0 HA VAL A 117 4.747 22.592 -26.328 1.00 0.00 H new ATOM 0 HB VAL A 117 6.215 21.528 -24.665 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.357 23.547 -23.856 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.842 23.708 -25.552 1.00 0.00 H new ATOM 0 HG13 VAL A 117 5.920 24.516 -24.261 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.069 22.170 -22.290 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.577 23.076 -22.633 1.00 0.00 H new ATOM 0 HG23 VAL A 117 4.610 21.308 -22.834 1.00 0.00 H new ATOM 1748 N VAL A 118 4.088 20.146 -25.738 1.00 0.00 N ATOM 1749 CA VAL A 118 3.447 18.850 -25.649 1.00 0.00 C ATOM 1750 C VAL A 118 4.268 17.918 -24.776 1.00 0.00 C ATOM 1751 O VAL A 118 5.417 17.616 -25.089 1.00 0.00 O ATOM 1752 CB VAL A 118 3.251 18.216 -27.042 1.00 0.00 C ATOM 1753 CG1 VAL A 118 2.463 16.919 -26.940 1.00 0.00 C ATOM 1754 CG2 VAL A 118 2.562 19.189 -27.981 1.00 0.00 C ATOM 0 H VAL A 118 4.947 20.153 -26.288 1.00 0.00 H new ATOM 0 HA VAL A 118 2.464 18.999 -25.202 1.00 0.00 H new ATOM 0 HB VAL A 118 4.235 17.984 -27.451 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.337 16.490 -27.934 1.00 0.00 H new ATOM 0 HG12 VAL A 118 3.002 16.215 -26.307 1.00 0.00 H new ATOM 0 HG13 VAL A 118 1.484 17.121 -26.506 1.00 0.00 H new ATOM 0 HG21 VAL A 118 2.433 18.723 -28.958 1.00 0.00 H new ATOM 0 HG22 VAL A 118 1.586 19.457 -27.575 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.171 20.087 -28.085 1.00 0.00 H new ATOM 1764 N VAL A 119 3.686 17.501 -23.663 1.00 0.00 N ATOM 1765 CA VAL A 119 4.334 16.537 -22.785 1.00 0.00 C ATOM 1766 C VAL A 119 3.476 15.313 -22.584 1.00 0.00 C ATOM 1767 O VAL A 119 2.258 15.407 -22.415 1.00 0.00 O ATOM 1768 CB VAL A 119 4.699 17.108 -21.402 1.00 0.00 C ATOM 1769 CG1 VAL A 119 5.963 17.921 -21.488 1.00 0.00 C ATOM 1770 CG2 VAL A 119 3.571 17.943 -20.827 1.00 0.00 C ATOM 0 H VAL A 119 2.768 17.813 -23.346 1.00 0.00 H new ATOM 0 HA VAL A 119 5.260 16.273 -23.296 1.00 0.00 H new ATOM 0 HB VAL A 119 4.864 16.267 -20.729 1.00 0.00 H new ATOM 0 HG11 VAL A 119 6.208 18.318 -20.503 1.00 0.00 H new ATOM 0 HG12 VAL A 119 6.779 17.289 -21.838 1.00 0.00 H new ATOM 0 HG13 VAL A 119 5.818 18.746 -22.186 1.00 0.00 H new ATOM 0 HG21 VAL A 119 3.865 18.329 -19.851 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.357 18.776 -21.497 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.679 17.325 -20.719 1.00 0.00 H new ATOM 1780 N ASP A 120 4.128 14.172 -22.599 1.00 0.00 N ATOM 1781 CA ASP A 120 3.463 12.906 -22.370 1.00 0.00 C ATOM 1782 C ASP A 120 4.145 12.194 -21.220 1.00 0.00 C ATOM 1783 O ASP A 120 5.367 12.041 -21.215 1.00 0.00 O ATOM 1784 CB ASP A 120 3.508 12.043 -23.636 1.00 0.00 C ATOM 1785 CG ASP A 120 2.725 10.746 -23.507 1.00 0.00 C ATOM 1786 OD1 ASP A 120 2.004 10.567 -22.499 1.00 0.00 O ATOM 1787 OD2 ASP A 120 2.819 9.907 -24.427 1.00 0.00 O ATOM 0 H ASP A 120 5.131 14.094 -22.770 1.00 0.00 H new ATOM 0 HA ASP A 120 2.417 13.083 -22.119 1.00 0.00 H new ATOM 0 HB2 ASP A 120 3.111 12.617 -24.473 1.00 0.00 H new ATOM 0 HB3 ASP A 120 4.546 11.811 -23.872 1.00 0.00 H new ATOM 1915 N LEU A 130 5.642 2.887 -10.331 1.00 0.00 N ATOM 1916 CA LEU A 130 4.674 2.782 -9.267 1.00 0.00 C ATOM 1917 C LEU A 130 5.414 2.529 -7.975 1.00 0.00 C ATOM 1918 O LEU A 130 6.461 1.879 -7.972 1.00 0.00 O ATOM 1919 CB LEU A 130 3.691 1.640 -9.518 1.00 0.00 C ATOM 1920 CG LEU A 130 2.657 1.876 -10.615 1.00 0.00 C ATOM 1921 CD1 LEU A 130 1.800 0.636 -10.789 1.00 0.00 C ATOM 1922 CD2 LEU A 130 1.786 3.074 -10.278 1.00 0.00 C ATOM 0 HA LEU A 130 4.104 3.710 -9.216 1.00 0.00 H new ATOM 0 HB2 LEU A 130 4.261 0.745 -9.770 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.163 1.430 -8.588 1.00 0.00 H new ATOM 0 HG LEU A 130 3.178 2.083 -11.550 1.00 0.00 H new ATOM 0 HD11 LEU A 130 1.063 0.810 -11.573 1.00 0.00 H new ATOM 0 HD12 LEU A 130 2.432 -0.208 -11.066 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.288 0.414 -9.853 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.055 3.227 -11.072 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.267 2.893 -9.336 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.410 3.963 -10.184 1.00 0.00 H new ATOM 1934 N LYS A 131 4.884 3.031 -6.888 1.00 0.00 N ATOM 1935 CA LYS A 131 5.489 2.827 -5.598 1.00 0.00 C ATOM 1936 C LYS A 131 4.561 2.001 -4.743 1.00 0.00 C ATOM 1937 O LYS A 131 3.406 2.363 -4.519 1.00 0.00 O ATOM 1938 CB LYS A 131 5.800 4.163 -4.931 1.00 0.00 C ATOM 1939 CG LYS A 131 7.038 4.834 -5.496 1.00 0.00 C ATOM 1940 CD LYS A 131 7.047 6.334 -5.226 1.00 0.00 C ATOM 1941 CE LYS A 131 6.810 6.649 -3.757 1.00 0.00 C ATOM 1942 NZ LYS A 131 7.829 6.018 -2.869 1.00 0.00 N ATOM 0 H LYS A 131 4.029 3.587 -6.872 1.00 0.00 H new ATOM 0 HA LYS A 131 6.432 2.294 -5.720 1.00 0.00 H new ATOM 0 HB2 LYS A 131 4.946 4.830 -5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 131 5.935 4.006 -3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 131 7.928 4.381 -5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 131 7.087 4.659 -6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 131 8.004 6.753 -5.537 1.00 0.00 H new ATOM 0 HD3 LYS A 131 6.277 6.816 -5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 131 6.825 7.729 -3.613 1.00 0.00 H new ATOM 0 HE3 LYS A 131 5.817 6.303 -3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 7.676 6.330 -1.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 7.742 4.983 -2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 8.781 6.301 -3.177 1.00 0.00 H new ATOM 1956 N PHE A 132 5.073 0.889 -4.281 1.00 0.00 N ATOM 1957 CA PHE A 132 4.283 -0.058 -3.519 1.00 0.00 C ATOM 1958 C PHE A 132 4.839 -0.127 -2.122 1.00 0.00 C ATOM 1959 O PHE A 132 6.002 -0.463 -1.953 1.00 0.00 O ATOM 1960 CB PHE A 132 4.360 -1.465 -4.124 1.00 0.00 C ATOM 1961 CG PHE A 132 4.306 -1.505 -5.618 1.00 0.00 C ATOM 1962 CD1 PHE A 132 3.094 -1.493 -6.277 1.00 0.00 C ATOM 1963 CD2 PHE A 132 5.472 -1.561 -6.362 1.00 0.00 C ATOM 1964 CE1 PHE A 132 3.041 -1.533 -7.656 1.00 0.00 C ATOM 1965 CE2 PHE A 132 5.427 -1.602 -7.738 1.00 0.00 C ATOM 1966 CZ PHE A 132 4.210 -1.587 -8.387 1.00 0.00 C ATOM 0 H PHE A 132 6.045 0.611 -4.419 1.00 0.00 H new ATOM 0 HA PHE A 132 3.245 0.276 -3.528 1.00 0.00 H new ATOM 0 HB2 PHE A 132 5.285 -1.938 -3.794 1.00 0.00 H new ATOM 0 HB3 PHE A 132 3.538 -2.062 -3.728 1.00 0.00 H new ATOM 0 HD1 PHE A 132 2.177 -1.452 -5.708 1.00 0.00 H new ATOM 0 HD2 PHE A 132 6.427 -1.573 -5.858 1.00 0.00 H new ATOM 0 HE1 PHE A 132 2.087 -1.522 -8.161 1.00 0.00 H new ATOM 0 HE2 PHE A 132 6.343 -1.646 -8.308 1.00 0.00 H new ATOM 0 HZ PHE A 132 4.172 -1.617 -9.466 1.00 0.00 H new ATOM 1976 N ASN A 133 4.050 0.170 -1.112 1.00 0.00 N ATOM 1977 CA ASN A 133 4.533 0.019 0.243 1.00 0.00 C ATOM 1978 C ASN A 133 4.127 -1.365 0.691 1.00 0.00 C ATOM 1979 O ASN A 133 2.945 -1.620 0.908 1.00 0.00 O ATOM 1980 CB ASN A 133 3.932 1.077 1.183 1.00 0.00 C ATOM 1981 CG ASN A 133 4.423 2.487 0.916 1.00 0.00 C ATOM 1982 OD1 ASN A 133 4.577 3.286 1.840 1.00 0.00 O ATOM 1983 ND2 ASN A 133 4.638 2.812 -0.346 1.00 0.00 N ATOM 0 H ASN A 133 3.092 0.510 -1.199 1.00 0.00 H new ATOM 0 HA ASN A 133 5.614 0.154 0.274 1.00 0.00 H new ATOM 0 HB2 ASN A 133 2.846 1.057 1.089 1.00 0.00 H new ATOM 0 HB3 ASN A 133 4.168 0.810 2.213 1.00 0.00 H new ATOM 0 HD21 ASN A 133 4.944 3.755 -0.585 1.00 0.00 H new ATOM 0 HD22 ASN A 133 4.499 2.120 -1.082 1.00 0.00 H new ATOM 1990 N VAL A 134 5.081 -2.271 0.788 1.00 0.00 N ATOM 1991 CA VAL A 134 4.743 -3.656 1.028 1.00 0.00 C ATOM 1992 C VAL A 134 4.914 -4.021 2.489 1.00 0.00 C ATOM 1993 O VAL A 134 5.871 -3.610 3.146 1.00 0.00 O ATOM 1994 CB VAL A 134 5.589 -4.628 0.178 1.00 0.00 C ATOM 1995 CG1 VAL A 134 4.946 -6.001 0.171 1.00 0.00 C ATOM 1996 CG2 VAL A 134 5.780 -4.123 -1.248 1.00 0.00 C ATOM 0 H VAL A 134 6.079 -2.076 0.706 1.00 0.00 H new ATOM 0 HA VAL A 134 3.697 -3.758 0.739 1.00 0.00 H new ATOM 0 HB VAL A 134 6.578 -4.693 0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 134 5.548 -6.682 -0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 134 4.882 -6.378 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 134 3.944 -5.931 -0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 134 6.381 -4.838 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 134 4.808 -4.010 -1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 134 6.288 -3.159 -1.228 1.00 0.00 H new ATOM 2006 N GLU A 135 3.969 -4.804 2.967 1.00 0.00 N ATOM 2007 CA GLU A 135 3.949 -5.290 4.329 1.00 0.00 C ATOM 2008 C GLU A 135 3.660 -6.786 4.315 1.00 0.00 C ATOM 2009 O GLU A 135 2.506 -7.210 4.299 1.00 0.00 O ATOM 2010 CB GLU A 135 2.895 -4.543 5.149 1.00 0.00 C ATOM 2011 CG GLU A 135 3.239 -3.083 5.392 1.00 0.00 C ATOM 2012 CD GLU A 135 2.325 -2.411 6.397 1.00 0.00 C ATOM 2013 OE1 GLU A 135 2.355 -2.800 7.584 1.00 0.00 O ATOM 2014 OE2 GLU A 135 1.595 -1.472 6.014 1.00 0.00 O ATOM 0 H GLU A 135 3.179 -5.126 2.408 1.00 0.00 H new ATOM 0 HA GLU A 135 4.919 -5.113 4.794 1.00 0.00 H new ATOM 0 HB2 GLU A 135 1.936 -4.601 4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 135 2.771 -5.044 6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 135 4.268 -3.013 5.744 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.188 -2.543 4.447 1.00 0.00 H new ATOM 2021 N VAL A 136 4.720 -7.572 4.264 1.00 0.00 N ATOM 2022 CA VAL A 136 4.604 -9.025 4.209 1.00 0.00 C ATOM 2023 C VAL A 136 4.023 -9.580 5.513 1.00 0.00 C ATOM 2024 O VAL A 136 4.674 -9.587 6.556 1.00 0.00 O ATOM 2025 CB VAL A 136 5.964 -9.688 3.883 1.00 0.00 C ATOM 2026 CG1 VAL A 136 7.066 -9.184 4.794 1.00 0.00 C ATOM 2027 CG2 VAL A 136 5.860 -11.204 3.944 1.00 0.00 C ATOM 0 H VAL A 136 5.680 -7.228 4.259 1.00 0.00 H new ATOM 0 HA VAL A 136 3.915 -9.270 3.401 1.00 0.00 H new ATOM 0 HB VAL A 136 6.228 -9.406 2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 136 8.005 -9.673 4.534 1.00 0.00 H new ATOM 0 HG12 VAL A 136 7.173 -8.106 4.674 1.00 0.00 H new ATOM 0 HG13 VAL A 136 6.814 -9.411 5.830 1.00 0.00 H new ATOM 0 HG21 VAL A 136 6.829 -11.645 3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 136 5.555 -11.508 4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 136 5.122 -11.547 3.220 1.00 0.00 H new ATOM 2037 N VAL A 137 2.774 -10.021 5.432 1.00 0.00 N ATOM 2038 CA VAL A 137 2.044 -10.517 6.588 1.00 0.00 C ATOM 2039 C VAL A 137 2.554 -11.877 7.039 1.00 0.00 C ATOM 2040 O VAL A 137 2.812 -12.086 8.225 1.00 0.00 O ATOM 2041 CB VAL A 137 0.537 -10.628 6.283 1.00 0.00 C ATOM 2042 CG1 VAL A 137 -0.261 -10.831 7.562 1.00 0.00 C ATOM 2043 CG2 VAL A 137 0.062 -9.399 5.529 1.00 0.00 C ATOM 0 H VAL A 137 2.240 -10.044 4.563 1.00 0.00 H new ATOM 0 HA VAL A 137 2.206 -9.797 7.390 1.00 0.00 H new ATOM 0 HB VAL A 137 0.374 -11.501 5.651 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -1.321 -10.906 7.321 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.066 -11.748 8.053 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -0.100 -9.985 8.230 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -1.004 -9.490 5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 137 0.238 -8.510 6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.610 -9.313 4.591 1.00 0.00 H new ATOM 2053 N ALA A 138 2.718 -12.795 6.095 1.00 0.00 N ATOM 2054 CA ALA A 138 3.062 -14.166 6.427 1.00 0.00 C ATOM 2055 C ALA A 138 3.651 -14.886 5.220 1.00 0.00 C ATOM 2056 O ALA A 138 3.414 -14.489 4.078 1.00 0.00 O ATOM 2057 CB ALA A 138 1.824 -14.899 6.914 1.00 0.00 C ATOM 0 H ALA A 138 2.618 -12.613 5.096 1.00 0.00 H new ATOM 0 HA ALA A 138 3.813 -14.154 7.217 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.085 -15.928 7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 138 1.431 -14.400 7.800 1.00 0.00 H new ATOM 0 HB3 ALA A 138 1.067 -14.896 6.130 1.00 0.00 H new ATOM 2063 N ILE A 139 4.417 -15.941 5.481 1.00 0.00 N ATOM 2064 CA ILE A 139 5.003 -16.766 4.428 1.00 0.00 C ATOM 2065 C ILE A 139 4.870 -18.235 4.822 1.00 0.00 C ATOM 2066 O ILE A 139 5.144 -18.594 5.967 1.00 0.00 O ATOM 2067 CB ILE A 139 6.501 -16.426 4.204 1.00 0.00 C ATOM 2068 CG1 ILE A 139 6.678 -14.939 3.895 1.00 0.00 C ATOM 2069 CG2 ILE A 139 7.087 -17.259 3.069 1.00 0.00 C ATOM 2070 CD1 ILE A 139 8.119 -14.495 3.930 1.00 0.00 C ATOM 0 H ILE A 139 4.649 -16.248 6.426 1.00 0.00 H new ATOM 0 HA ILE A 139 4.472 -16.567 3.497 1.00 0.00 H new ATOM 0 HB ILE A 139 7.034 -16.664 5.124 1.00 0.00 H new ATOM 0 HG12 ILE A 139 6.262 -14.727 2.910 1.00 0.00 H new ATOM 0 HG13 ILE A 139 6.106 -14.354 4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 139 8.137 -17.001 2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 139 7.002 -18.318 3.313 1.00 0.00 H new ATOM 0 HG23 ILE A 139 6.541 -17.054 2.148 1.00 0.00 H new ATOM 0 HD11 ILE A 139 8.177 -13.431 3.703 1.00 0.00 H new ATOM 0 HD12 ILE A 139 8.532 -14.677 4.922 1.00 0.00 H new ATOM 0 HD13 ILE A 139 8.691 -15.056 3.191 1.00 0.00 H new ATOM 2082 N ARG A 140 4.443 -19.073 3.889 1.00 0.00 N ATOM 2083 CA ARG A 140 4.222 -20.485 4.167 1.00 0.00 C ATOM 2084 C ARG A 140 4.618 -21.327 2.962 1.00 0.00 C ATOM 2085 O ARG A 140 4.415 -20.917 1.823 1.00 0.00 O ATOM 2086 CB ARG A 140 2.743 -20.724 4.506 1.00 0.00 C ATOM 2087 CG ARG A 140 2.353 -22.196 4.576 1.00 0.00 C ATOM 2088 CD ARG A 140 0.864 -22.374 4.827 1.00 0.00 C ATOM 2089 NE ARG A 140 0.476 -21.991 6.183 1.00 0.00 N ATOM 2090 CZ ARG A 140 -0.750 -21.591 6.524 1.00 0.00 C ATOM 2091 NH1 ARG A 140 -1.699 -21.463 5.601 1.00 0.00 N ATOM 2092 NH2 ARG A 140 -1.030 -21.319 7.793 1.00 0.00 N ATOM 0 H ARG A 140 4.242 -18.798 2.928 1.00 0.00 H new ATOM 0 HA ARG A 140 4.837 -20.777 5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 140 2.520 -20.254 5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 140 2.125 -20.230 3.756 1.00 0.00 H new ATOM 0 HG2 ARG A 140 2.626 -22.689 3.643 1.00 0.00 H new ATOM 0 HG3 ARG A 140 2.917 -22.684 5.371 1.00 0.00 H new ATOM 0 HD2 ARG A 140 0.304 -21.775 4.109 1.00 0.00 H new ATOM 0 HD3 ARG A 140 0.592 -23.415 4.655 1.00 0.00 H new ATOM 0 HE ARG A 140 1.186 -22.032 6.914 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -1.492 -21.671 4.624 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -2.634 -21.157 5.870 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -0.308 -21.416 8.507 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -1.967 -21.013 8.054 1.00 0.00 H new ATOM 2106 N GLU A 141 5.197 -22.493 3.207 1.00 0.00 N ATOM 2107 CA GLU A 141 5.483 -23.424 2.131 1.00 0.00 C ATOM 2108 C GLU A 141 4.201 -24.173 1.770 1.00 0.00 C ATOM 2109 O GLU A 141 3.530 -24.737 2.639 1.00 0.00 O ATOM 2110 CB GLU A 141 6.631 -24.368 2.522 1.00 0.00 C ATOM 2111 CG GLU A 141 6.475 -25.028 3.881 1.00 0.00 C ATOM 2112 CD GLU A 141 7.751 -25.708 4.339 1.00 0.00 C ATOM 2113 OE1 GLU A 141 8.093 -26.778 3.791 1.00 0.00 O ATOM 2114 OE2 GLU A 141 8.427 -25.174 5.245 1.00 0.00 O ATOM 0 H GLU A 141 5.475 -22.813 4.134 1.00 0.00 H new ATOM 0 HA GLU A 141 5.820 -22.884 1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 141 6.718 -25.146 1.763 1.00 0.00 H new ATOM 0 HB3 GLU A 141 7.565 -23.806 2.511 1.00 0.00 H new ATOM 0 HG2 GLU A 141 6.182 -24.278 4.615 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.670 -25.762 3.836 1.00 0.00 H new ATOM 2121 N ALA A 142 3.855 -24.138 0.487 1.00 0.00 N ATOM 2122 CA ALA A 142 2.532 -24.556 0.027 1.00 0.00 C ATOM 2123 C ALA A 142 2.281 -26.048 0.211 1.00 0.00 C ATOM 2124 O ALA A 142 3.197 -26.840 0.429 1.00 0.00 O ATOM 2125 CB ALA A 142 2.326 -24.166 -1.425 1.00 0.00 C ATOM 0 H ALA A 142 4.476 -23.823 -0.258 1.00 0.00 H new ATOM 0 HA ALA A 142 1.807 -24.034 0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 142 1.336 -24.485 -1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 142 2.410 -23.084 -1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 142 3.084 -24.648 -2.042 1.00 0.00 H new ATOM 2131 N THR A 143 1.017 -26.407 0.071 1.00 0.00 N ATOM 2132 CA THR A 143 0.521 -27.738 0.403 1.00 0.00 C ATOM 2133 C THR A 143 0.538 -28.685 -0.788 1.00 0.00 C ATOM 2134 O THR A 143 -0.215 -29.661 -0.815 1.00 0.00 O ATOM 2135 CB THR A 143 -0.922 -27.631 0.910 1.00 0.00 C ATOM 2136 OG1 THR A 143 -1.690 -26.838 -0.006 1.00 0.00 O ATOM 2137 CG2 THR A 143 -0.963 -26.990 2.279 1.00 0.00 C ATOM 0 H THR A 143 0.295 -25.778 -0.280 1.00 0.00 H new ATOM 0 HA THR A 143 1.184 -28.143 1.167 1.00 0.00 H new ATOM 0 HB THR A 143 -1.341 -28.635 0.981 1.00 0.00 H new ATOM 0 HG1 THR A 143 -2.613 -26.769 0.315 1.00 0.00 H new ATOM 0 HG21 THR A 143 -1.996 -26.924 2.619 1.00 0.00 H new ATOM 0 HG22 THR A 143 -0.388 -27.594 2.981 1.00 0.00 H new ATOM 0 HG23 THR A 143 -0.534 -25.989 2.225 1.00 0.00 H new ATOM 2145 N GLU A 144 1.386 -28.386 -1.765 1.00 0.00 N ATOM 2146 CA GLU A 144 1.451 -29.132 -3.031 1.00 0.00 C ATOM 2147 C GLU A 144 0.209 -28.883 -3.881 1.00 0.00 C ATOM 2148 O GLU A 144 0.314 -28.685 -5.087 1.00 0.00 O ATOM 2149 CB GLU A 144 1.624 -30.637 -2.812 1.00 0.00 C ATOM 2150 CG GLU A 144 2.854 -31.013 -2.009 1.00 0.00 C ATOM 2151 CD GLU A 144 3.062 -32.509 -1.949 1.00 0.00 C ATOM 2152 OE1 GLU A 144 2.293 -33.193 -1.243 1.00 0.00 O ATOM 2153 OE2 GLU A 144 3.985 -33.010 -2.627 1.00 0.00 O ATOM 0 H GLU A 144 2.054 -27.617 -1.708 1.00 0.00 H new ATOM 0 HA GLU A 144 2.331 -28.763 -3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 144 0.740 -31.022 -2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 144 1.673 -31.130 -3.783 1.00 0.00 H new ATOM 0 HG2 GLU A 144 3.732 -30.543 -2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 144 2.759 -30.620 -0.997 1.00 0.00 H new ATOM 2160 N GLU A 145 -0.964 -28.880 -3.250 1.00 0.00 N ATOM 2161 CA GLU A 145 -2.212 -28.634 -3.962 1.00 0.00 C ATOM 2162 C GLU A 145 -2.202 -27.236 -4.537 1.00 0.00 C ATOM 2163 O GLU A 145 -2.595 -27.009 -5.678 1.00 0.00 O ATOM 2164 CB GLU A 145 -3.413 -28.792 -3.035 1.00 0.00 C ATOM 2165 CG GLU A 145 -3.585 -30.193 -2.495 1.00 0.00 C ATOM 2166 CD GLU A 145 -4.755 -30.307 -1.534 1.00 0.00 C ATOM 2167 OE1 GLU A 145 -5.860 -29.832 -1.879 1.00 0.00 O ATOM 2168 OE2 GLU A 145 -4.582 -30.880 -0.438 1.00 0.00 O ATOM 0 H GLU A 145 -1.074 -29.045 -2.249 1.00 0.00 H new ATOM 0 HA GLU A 145 -2.297 -29.366 -4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -3.309 -28.100 -2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -4.316 -28.507 -3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -3.733 -30.883 -3.326 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -2.670 -30.498 -1.986 1.00 0.00 H new ATOM 2175 N GLU A 146 -1.722 -26.307 -3.732 1.00 0.00 N ATOM 2176 CA GLU A 146 -1.603 -24.923 -4.136 1.00 0.00 C ATOM 2177 C GLU A 146 -0.654 -24.792 -5.321 1.00 0.00 C ATOM 2178 O GLU A 146 -0.879 -23.989 -6.221 1.00 0.00 O ATOM 2179 CB GLU A 146 -1.141 -24.097 -2.939 1.00 0.00 C ATOM 2180 CG GLU A 146 -2.204 -24.047 -1.862 1.00 0.00 C ATOM 2181 CD GLU A 146 -1.684 -23.670 -0.500 1.00 0.00 C ATOM 2182 OE1 GLU A 146 -0.698 -24.283 -0.053 1.00 0.00 O ATOM 2183 OE2 GLU A 146 -2.304 -22.801 0.149 1.00 0.00 O ATOM 0 H GLU A 146 -1.404 -26.493 -2.781 1.00 0.00 H new ATOM 0 HA GLU A 146 -2.571 -24.545 -4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -0.226 -24.526 -2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -0.901 -23.084 -3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -2.971 -23.331 -2.157 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -2.686 -25.022 -1.797 1.00 0.00 H new ATOM 2190 N LEU A 147 0.375 -25.627 -5.336 1.00 0.00 N ATOM 2191 CA LEU A 147 1.341 -25.643 -6.426 1.00 0.00 C ATOM 2192 C LEU A 147 0.723 -26.276 -7.665 1.00 0.00 C ATOM 2193 O LEU A 147 0.823 -25.744 -8.770 1.00 0.00 O ATOM 2194 CB LEU A 147 2.570 -26.434 -5.994 1.00 0.00 C ATOM 2195 CG LEU A 147 3.106 -26.052 -4.620 1.00 0.00 C ATOM 2196 CD1 LEU A 147 4.310 -26.898 -4.259 1.00 0.00 C ATOM 2197 CD2 LEU A 147 3.449 -24.575 -4.579 1.00 0.00 C ATOM 0 H LEU A 147 0.563 -26.307 -4.600 1.00 0.00 H new ATOM 0 HA LEU A 147 1.632 -24.621 -6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 147 2.323 -27.496 -5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 147 3.359 -26.290 -6.732 1.00 0.00 H new ATOM 0 HG LEU A 147 2.329 -26.243 -3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 147 4.676 -26.608 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 147 4.025 -27.950 -4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 147 5.097 -26.745 -4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 147 3.831 -24.317 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 147 4.209 -24.357 -5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 147 2.555 -23.988 -4.787 1.00 0.00 H new ATOM 2209 N ALA A 148 0.067 -27.411 -7.450 1.00 0.00 N ATOM 2210 CA ALA A 148 -0.587 -28.156 -8.515 1.00 0.00 C ATOM 2211 C ALA A 148 -1.669 -27.324 -9.198 1.00 0.00 C ATOM 2212 O ALA A 148 -1.916 -27.474 -10.392 1.00 0.00 O ATOM 2213 CB ALA A 148 -1.178 -29.442 -7.950 1.00 0.00 C ATOM 0 H ALA A 148 -0.025 -27.840 -6.529 1.00 0.00 H new ATOM 0 HA ALA A 148 0.159 -28.402 -9.270 1.00 0.00 H new ATOM 0 HB1 ALA A 148 -1.668 -29.999 -8.749 1.00 0.00 H new ATOM 0 HB2 ALA A 148 -0.382 -30.049 -7.519 1.00 0.00 H new ATOM 0 HB3 ALA A 148 -1.908 -29.199 -7.178 1.00 0.00 H new ATOM 2219 N HIS A 149 -2.310 -26.442 -8.441 1.00 0.00 N ATOM 2220 CA HIS A 149 -3.381 -25.616 -8.987 1.00 0.00 C ATOM 2221 C HIS A 149 -2.837 -24.273 -9.472 1.00 0.00 C ATOM 2222 O HIS A 149 -3.351 -23.690 -10.428 1.00 0.00 O ATOM 2223 CB HIS A 149 -4.491 -25.401 -7.948 1.00 0.00 C ATOM 2224 CG HIS A 149 -5.061 -26.681 -7.414 1.00 0.00 C ATOM 2225 ND1 HIS A 149 -5.615 -26.795 -6.156 1.00 0.00 N ATOM 2226 CD2 HIS A 149 -5.121 -27.919 -7.959 1.00 0.00 C ATOM 2227 CE1 HIS A 149 -5.978 -28.048 -5.949 1.00 0.00 C ATOM 2228 NE2 HIS A 149 -5.691 -28.748 -7.029 1.00 0.00 N ATOM 0 H HIS A 149 -2.109 -26.280 -7.454 1.00 0.00 H new ATOM 0 HA HIS A 149 -3.808 -26.143 -9.840 1.00 0.00 H new ATOM 0 HB2 HIS A 149 -4.094 -24.815 -7.119 1.00 0.00 H new ATOM 0 HB3 HIS A 149 -5.292 -24.815 -8.399 1.00 0.00 H new ATOM 0 HD2 HIS A 149 -4.782 -28.201 -8.945 1.00 0.00 H new ATOM 0 HE1 HIS A 149 -6.433 -28.434 -5.048 1.00 0.00 H new ATOM 0 HE2 HIS A 149 -5.865 -29.745 -7.152 1.00 0.00 H new ATOM 2237 N GLY A 150 -1.793 -23.785 -8.808 1.00 0.00 N ATOM 2238 CA GLY A 150 -1.140 -22.563 -9.242 1.00 0.00 C ATOM 2239 C GLY A 150 -1.503 -21.357 -8.397 1.00 0.00 C ATOM 2240 O GLY A 150 -1.138 -20.226 -8.728 1.00 0.00 O ATOM 0 H GLY A 150 -1.388 -24.215 -7.976 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -0.060 -22.706 -9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.408 -22.365 -10.280 1.00 0.00 H new ATOM 2244 N HIS A 151 -2.209 -21.589 -7.296 1.00 0.00 N ATOM 2245 CA HIS A 151 -2.617 -20.505 -6.408 1.00 0.00 C ATOM 2246 C HIS A 151 -2.996 -21.050 -5.035 1.00 0.00 C ATOM 2247 O HIS A 151 -2.966 -22.258 -4.822 1.00 0.00 O ATOM 2248 CB HIS A 151 -3.785 -19.702 -7.008 1.00 0.00 C ATOM 2249 CG HIS A 151 -5.089 -20.439 -7.054 1.00 0.00 C ATOM 2250 ND1 HIS A 151 -6.277 -19.898 -6.615 1.00 0.00 N ATOM 2251 CD2 HIS A 151 -5.383 -21.681 -7.496 1.00 0.00 C ATOM 2252 CE1 HIS A 151 -7.245 -20.780 -6.780 1.00 0.00 C ATOM 2253 NE2 HIS A 151 -6.728 -21.868 -7.315 1.00 0.00 N ATOM 0 H HIS A 151 -2.511 -22.516 -6.997 1.00 0.00 H new ATOM 0 HA HIS A 151 -1.768 -19.831 -6.294 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -3.918 -18.790 -6.426 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -3.518 -19.398 -8.020 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -4.688 -22.394 -7.914 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -8.283 -20.635 -6.521 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -7.246 -22.713 -7.556 1.00 0.00 H new