USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 460 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 Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0454 K(o=-0.045,f=-0.83) USER MOD Single : A 4 SER OG : rot 180:sc= 0.00101 USER MOD Single : A 8 LYS NZ :NH3+ -153:sc= 1.25 (180deg=1.08) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -162:sc= -0.0947 (180deg=-0.514) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.029) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -4.42! C(o=-4.4!,f=-13!) USER MOD Single : A 26 ASN : amide:sc=-0.00366 X(o=-0.0037,f=-0.17) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.41 K(o=-1.4,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= 1.13 (180deg=0.996) USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0395) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -4.903 -11.465 15.166 1.00 0.00 N ATOM 2 CA ARG A 1 -4.205 -12.516 14.378 1.00 0.00 C ATOM 3 C ARG A 1 -5.131 -13.082 13.295 1.00 0.00 C ATOM 4 O ARG A 1 -5.743 -14.137 13.462 1.00 0.00 O ATOM 5 CB ARG A 1 -3.729 -13.630 15.313 1.00 0.00 C ATOM 6 CG ARG A 1 -2.751 -14.604 14.680 1.00 0.00 C ATOM 7 CD ARG A 1 -2.265 -15.620 15.698 1.00 0.00 C ATOM 8 NE ARG A 1 -1.389 -16.623 15.111 1.00 0.00 N ATOM 9 CZ ARG A 1 -1.064 -17.739 15.702 1.00 0.00 C ATOM 10 NH1 ARG A 1 -1.546 -18.032 16.868 1.00 0.00 N ATOM 11 NH2 ARG A 1 -0.260 -18.568 15.122 1.00 0.00 N ATOM 0 H1 ARG A 1 -4.261 -11.093 15.895 1.00 0.00 H new ATOM 0 H2 ARG A 1 -5.193 -10.692 14.533 1.00 0.00 H new ATOM 0 H3 ARG A 1 -5.744 -11.874 15.622 1.00 0.00 H new ATOM 0 HA ARG A 1 -3.340 -12.073 13.885 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -3.259 -13.179 16.187 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -4.597 -14.185 15.669 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -3.231 -15.118 13.847 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -1.901 -14.058 14.270 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -1.735 -15.103 16.498 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -3.124 -16.114 16.152 1.00 0.00 H new ATOM 0 HE ARG A 1 -1.007 -16.442 14.183 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -2.186 -17.387 17.332 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -1.286 -18.907 17.322 1.00 0.00 H new ATOM 0 HH21 ARG A 1 0.121 -18.350 14.201 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -0.006 -19.441 15.585 1.00 0.00 H new ATOM 27 N ASN A 2 -5.232 -12.364 12.186 1.00 0.00 N ATOM 28 CA ASN A 2 -6.093 -12.766 11.077 1.00 0.00 C ATOM 29 C ASN A 2 -5.497 -12.328 9.731 1.00 0.00 C ATOM 30 O ASN A 2 -4.577 -11.510 9.687 1.00 0.00 O ATOM 31 CB ASN A 2 -7.476 -12.133 11.263 1.00 0.00 C ATOM 32 CG ASN A 2 -8.575 -12.889 10.550 1.00 0.00 C ATOM 33 OD1 ASN A 2 -8.821 -12.682 9.366 1.00 0.00 O ATOM 34 ND2 ASN A 2 -9.255 -13.758 11.263 1.00 0.00 N ATOM 0 H ASN A 2 -4.725 -11.493 12.027 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.177 -13.853 11.072 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -7.707 -12.086 12.327 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -7.452 -11.107 10.896 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -10.015 -14.286 10.834 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -9.023 -13.905 12.245 1.00 0.00 H new ATOM 41 N LEU A 3 -6.024 -12.865 8.634 1.00 0.00 N ATOM 42 CA LEU A 3 -5.551 -12.508 7.291 1.00 0.00 C ATOM 43 C LEU A 3 -6.102 -11.137 6.859 1.00 0.00 C ATOM 44 O LEU A 3 -6.691 -10.992 5.789 1.00 0.00 O ATOM 45 CB LEU A 3 -5.973 -13.580 6.279 1.00 0.00 C ATOM 46 CG LEU A 3 -5.542 -15.010 6.617 1.00 0.00 C ATOM 47 CD1 LEU A 3 -6.145 -15.996 5.630 1.00 0.00 C ATOM 48 CD2 LEU A 3 -4.025 -15.126 6.623 1.00 0.00 C ATOM 0 H LEU A 3 -6.780 -13.550 8.644 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.463 -12.449 7.320 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.059 -13.559 6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.563 -13.316 5.304 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.909 -15.251 7.615 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.828 -17.007 5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.232 -15.935 5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.808 -15.754 4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.739 -16.150 6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.636 -14.864 5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.611 -14.448 7.369 1.00 0.00 H new ATOM 60 N SER A 4 -5.886 -10.130 7.699 1.00 0.00 N ATOM 61 CA SER A 4 -6.368 -8.769 7.439 1.00 0.00 C ATOM 62 C SER A 4 -5.469 -8.005 6.461 1.00 0.00 C ATOM 63 O SER A 4 -5.840 -6.933 5.984 1.00 0.00 O ATOM 64 CB SER A 4 -6.456 -7.989 8.752 1.00 0.00 C ATOM 65 OG SER A 4 -5.215 -8.016 9.441 1.00 0.00 O ATOM 0 H SER A 4 -5.375 -10.228 8.576 1.00 0.00 H new ATOM 0 HA SER A 4 -7.353 -8.862 6.982 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.741 -6.957 8.548 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.236 -8.417 9.382 1.00 0.00 H new ATOM 0 HG SER A 4 -5.294 -7.510 10.277 1.00 0.00 H new ATOM 71 N ASP A 5 -4.293 -8.560 6.172 1.00 0.00 N ATOM 72 CA ASP A 5 -3.327 -7.941 5.254 1.00 0.00 C ATOM 73 C ASP A 5 -3.975 -7.509 3.927 1.00 0.00 C ATOM 74 O ASP A 5 -3.749 -6.399 3.447 1.00 0.00 O ATOM 75 CB ASP A 5 -2.187 -8.923 4.965 1.00 0.00 C ATOM 76 CG ASP A 5 -1.527 -9.449 6.225 1.00 0.00 C ATOM 77 OD1 ASP A 5 -2.230 -10.067 7.056 1.00 0.00 O ATOM 78 OD2 ASP A 5 -0.300 -9.274 6.377 1.00 0.00 O ATOM 0 H ASP A 5 -3.980 -9.448 6.564 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.944 -7.045 5.743 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.575 -9.762 4.387 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.437 -8.429 4.347 1.00 0.00 H new ATOM 83 N ARG A 6 -4.794 -8.389 3.357 1.00 0.00 N ATOM 84 CA ARG A 6 -5.474 -8.120 2.086 1.00 0.00 C ATOM 85 C ARG A 6 -6.376 -6.877 2.162 1.00 0.00 C ATOM 86 O ARG A 6 -6.194 -5.915 1.409 1.00 0.00 O ATOM 87 CB ARG A 6 -6.306 -9.338 1.684 1.00 0.00 C ATOM 88 CG ARG A 6 -6.367 -9.577 0.187 1.00 0.00 C ATOM 89 CD ARG A 6 -5.040 -10.085 -0.349 1.00 0.00 C ATOM 90 NE ARG A 6 -5.218 -11.140 -1.337 1.00 0.00 N ATOM 91 CZ ARG A 6 -4.556 -12.264 -1.336 1.00 0.00 C ATOM 92 NH1 ARG A 6 -3.668 -12.508 -0.422 1.00 0.00 N ATOM 93 NH2 ARG A 6 -4.791 -13.148 -2.248 1.00 0.00 N ATOM 0 H ARG A 6 -5.006 -9.303 3.757 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.708 -7.923 1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.892 -10.223 2.166 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.320 -9.214 2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.152 -10.300 -0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.635 -8.650 -0.320 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.490 -9.258 -0.797 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.435 -10.460 0.477 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.904 -10.991 -2.077 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.482 -11.818 0.305 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.156 -13.390 -0.431 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.492 -12.966 -2.966 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.275 -14.028 -2.250 1.00 0.00 H new ATOM 107 N ALA A 7 -7.345 -6.903 3.074 1.00 0.00 N ATOM 108 CA ALA A 7 -8.273 -5.783 3.243 1.00 0.00 C ATOM 109 C ALA A 7 -7.548 -4.504 3.669 1.00 0.00 C ATOM 110 O ALA A 7 -7.866 -3.420 3.187 1.00 0.00 O ATOM 111 CB ALA A 7 -9.354 -6.133 4.249 1.00 0.00 C ATOM 0 H ALA A 7 -7.510 -7.685 3.707 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.736 -5.595 2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.034 -5.288 4.361 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.910 -7.002 3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.896 -6.360 5.212 1.00 0.00 H new ATOM 117 N LYS A 8 -6.576 -4.637 4.572 1.00 0.00 N ATOM 118 CA LYS A 8 -5.792 -3.492 5.046 1.00 0.00 C ATOM 119 C LYS A 8 -5.111 -2.776 3.874 1.00 0.00 C ATOM 120 O LYS A 8 -5.077 -1.547 3.814 1.00 0.00 O ATOM 121 CB LYS A 8 -4.733 -3.961 6.046 1.00 0.00 C ATOM 122 CG LYS A 8 -4.902 -3.391 7.444 1.00 0.00 C ATOM 123 CD LYS A 8 -3.901 -4.004 8.413 1.00 0.00 C ATOM 124 CE LYS A 8 -4.007 -3.392 9.801 1.00 0.00 C ATOM 125 NZ LYS A 8 -3.440 -2.018 9.852 1.00 0.00 N ATOM 0 H LYS A 8 -6.311 -5.528 4.992 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.470 -2.793 5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.760 -5.049 6.104 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.747 -3.686 5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.770 -2.309 7.417 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.916 -3.580 7.797 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.069 -5.079 8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.891 -3.861 8.030 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.053 -3.363 10.105 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.484 -4.026 10.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.110 -1.814 10.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.640 -1.948 9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.172 -1.330 9.584 1.00 0.00 H new ATOM 139 N PHE A 9 -4.583 -3.564 2.943 1.00 0.00 N ATOM 140 CA PHE A 9 -3.911 -3.042 1.755 1.00 0.00 C ATOM 141 C PHE A 9 -4.851 -2.192 0.900 1.00 0.00 C ATOM 142 O PHE A 9 -4.625 -0.999 0.706 1.00 0.00 O ATOM 143 CB PHE A 9 -3.384 -4.200 0.921 1.00 0.00 C ATOM 144 CG PHE A 9 -2.500 -3.777 -0.215 1.00 0.00 C ATOM 145 CD1 PHE A 9 -1.182 -3.424 0.012 1.00 0.00 C ATOM 146 CD2 PHE A 9 -2.990 -3.723 -1.509 1.00 0.00 C ATOM 147 CE1 PHE A 9 -0.368 -3.028 -1.030 1.00 0.00 C ATOM 148 CE2 PHE A 9 -2.182 -3.329 -2.555 1.00 0.00 C ATOM 149 CZ PHE A 9 -0.869 -2.979 -2.314 1.00 0.00 C ATOM 0 H PHE A 9 -4.608 -4.583 2.989 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.089 -2.408 2.087 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.828 -4.878 1.568 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.229 -4.762 0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.785 -3.459 1.016 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.018 -3.993 -1.702 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.660 -2.757 -0.840 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.576 -3.294 -3.560 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.234 -2.667 -3.130 1.00 0.00 H new ATOM 159 N GLU A 10 -5.910 -2.813 0.395 1.00 0.00 N ATOM 160 CA GLU A 10 -6.882 -2.107 -0.445 1.00 0.00 C ATOM 161 C GLU A 10 -7.615 -1.006 0.338 1.00 0.00 C ATOM 162 O GLU A 10 -8.265 -0.139 -0.246 1.00 0.00 O ATOM 163 CB GLU A 10 -7.894 -3.093 -1.032 1.00 0.00 C ATOM 164 CG GLU A 10 -8.631 -3.912 0.015 1.00 0.00 C ATOM 165 CD GLU A 10 -9.913 -4.511 -0.518 1.00 0.00 C ATOM 166 OE1 GLU A 10 -10.812 -3.738 -0.910 1.00 0.00 O ATOM 167 OE2 GLU A 10 -10.031 -5.754 -0.546 1.00 0.00 O ATOM 0 H GLU A 10 -6.121 -3.799 0.549 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.330 -1.631 -1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.622 -2.541 -1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.376 -3.770 -1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.981 -4.711 0.371 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.858 -3.280 0.873 1.00 0.00 H new ATOM 174 N SER A 11 -7.511 -1.051 1.660 1.00 0.00 N ATOM 175 CA SER A 11 -8.160 -0.049 2.518 1.00 0.00 C ATOM 176 C SER A 11 -7.327 1.221 2.551 1.00 0.00 C ATOM 177 O SER A 11 -7.822 2.331 2.351 1.00 0.00 O ATOM 178 CB SER A 11 -8.344 -0.572 3.945 1.00 0.00 C ATOM 179 OG SER A 11 -8.635 0.484 4.846 1.00 0.00 O ATOM 0 H SER A 11 -6.987 -1.765 2.167 1.00 0.00 H new ATOM 0 HA SER A 11 -9.144 0.163 2.099 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.152 -1.304 3.965 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.439 -1.088 4.265 1.00 0.00 H new ATOM 0 HG SER A 11 -8.749 0.121 5.749 1.00 0.00 H new ATOM 185 N MET A 12 -6.049 1.023 2.815 1.00 0.00 N ATOM 186 CA MET A 12 -5.073 2.095 2.896 1.00 0.00 C ATOM 187 C MET A 12 -4.770 2.693 1.520 1.00 0.00 C ATOM 188 O MET A 12 -4.522 3.890 1.383 1.00 0.00 O ATOM 189 CB MET A 12 -3.795 1.525 3.489 1.00 0.00 C ATOM 190 CG MET A 12 -3.371 2.183 4.787 1.00 0.00 C ATOM 191 SD MET A 12 -1.860 1.475 5.471 1.00 0.00 S ATOM 192 CE MET A 12 -2.418 -0.179 5.872 1.00 0.00 C ATOM 0 H MET A 12 -5.653 0.098 2.982 1.00 0.00 H new ATOM 0 HA MET A 12 -5.478 2.893 3.519 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.932 0.458 3.662 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.991 1.629 2.761 1.00 0.00 H new ATOM 0 HG2 MET A 12 -3.222 3.249 4.616 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.175 2.086 5.517 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.725 -0.635 6.579 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.411 -0.130 6.318 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.458 -0.780 4.963 1.00 0.00 H new ATOM 202 N ILE A 13 -4.768 1.839 0.506 1.00 0.00 N ATOM 203 CA ILE A 13 -4.484 2.259 -0.859 1.00 0.00 C ATOM 204 C ILE A 13 -5.641 3.071 -1.466 1.00 0.00 C ATOM 205 O ILE A 13 -5.470 3.767 -2.468 1.00 0.00 O ATOM 206 CB ILE A 13 -4.169 1.033 -1.752 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.047 1.362 -2.735 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.411 0.554 -2.500 1.00 0.00 C ATOM 209 CD1 ILE A 13 -2.523 0.148 -3.466 1.00 0.00 C ATOM 0 H ILE A 13 -4.962 0.842 0.605 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.609 2.908 -0.819 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.839 0.223 -1.101 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.411 2.087 -3.463 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.227 1.836 -2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.155 -0.307 -3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.181 0.270 -1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.785 1.357 -3.135 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.728 0.449 -4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.130 -0.569 -2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.332 -0.313 -4.032 1.00 0.00 H new ATOM 221 N ASN A 14 -6.815 2.974 -0.849 1.00 0.00 N ATOM 222 CA ASN A 14 -7.999 3.673 -1.339 1.00 0.00 C ATOM 223 C ASN A 14 -8.018 5.148 -0.910 1.00 0.00 C ATOM 224 O ASN A 14 -8.057 5.461 0.280 1.00 0.00 O ATOM 225 CB ASN A 14 -9.263 2.965 -0.851 1.00 0.00 C ATOM 226 CG ASN A 14 -10.500 3.414 -1.599 1.00 0.00 C ATOM 227 OD1 ASN A 14 -11.247 4.269 -1.139 1.00 0.00 O ATOM 228 ND2 ASN A 14 -10.724 2.843 -2.765 1.00 0.00 N ATOM 0 H ASN A 14 -6.972 2.418 -0.008 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.966 3.652 -2.428 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.141 1.888 -0.968 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.396 3.157 0.214 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.541 3.110 -3.315 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -10.081 2.134 -3.118 1.00 0.00 H new ATOM 235 N SER A 15 -8.002 6.039 -1.903 1.00 0.00 N ATOM 236 CA SER A 15 -8.016 7.498 -1.679 1.00 0.00 C ATOM 237 C SER A 15 -6.903 7.962 -0.725 1.00 0.00 C ATOM 238 O SER A 15 -7.171 8.429 0.383 1.00 0.00 O ATOM 239 CB SER A 15 -9.381 7.955 -1.146 1.00 0.00 C ATOM 240 OG SER A 15 -9.428 9.366 -0.984 1.00 0.00 O ATOM 0 H SER A 15 -7.979 5.776 -2.888 1.00 0.00 H new ATOM 0 HA SER A 15 -7.831 7.960 -2.649 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.166 7.640 -1.834 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.581 7.471 -0.190 1.00 0.00 H new ATOM 0 HG SER A 15 -10.310 9.627 -0.645 1.00 0.00 H new ATOM 246 N PRO A 16 -5.629 7.822 -1.127 1.00 0.00 N ATOM 247 CA PRO A 16 -4.499 8.245 -0.309 1.00 0.00 C ATOM 248 C PRO A 16 -4.017 9.676 -0.617 1.00 0.00 C ATOM 249 O PRO A 16 -3.631 9.985 -1.746 1.00 0.00 O ATOM 250 CB PRO A 16 -3.430 7.223 -0.691 1.00 0.00 C ATOM 251 CG PRO A 16 -3.727 6.852 -2.114 1.00 0.00 C ATOM 252 CD PRO A 16 -5.178 7.195 -2.381 1.00 0.00 C ATOM 0 HA PRO A 16 -4.748 8.277 0.752 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.430 7.646 -0.595 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.471 6.350 -0.040 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.073 7.395 -2.796 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.548 5.790 -2.279 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.279 7.875 -3.227 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.762 6.305 -2.616 1.00 0.00 H new ATOM 260 N SER A 17 -4.059 10.553 0.385 1.00 0.00 N ATOM 261 CA SER A 17 -3.596 11.942 0.221 1.00 0.00 C ATOM 262 C SER A 17 -2.065 12.008 0.171 1.00 0.00 C ATOM 263 O SER A 17 -1.404 10.982 0.143 1.00 0.00 O ATOM 264 CB SER A 17 -4.103 12.813 1.375 1.00 0.00 C ATOM 265 OG SER A 17 -4.949 13.851 0.907 1.00 0.00 O ATOM 0 H SER A 17 -4.407 10.333 1.318 1.00 0.00 H new ATOM 0 HA SER A 17 -3.996 12.317 -0.721 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.646 12.194 2.089 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.255 13.245 1.907 1.00 0.00 H new ATOM 0 HG SER A 17 -5.258 14.388 1.666 1.00 0.00 H new ATOM 271 N LYS A 18 -1.496 13.210 0.177 1.00 0.00 N ATOM 272 CA LYS A 18 -0.032 13.362 0.131 1.00 0.00 C ATOM 273 C LYS A 18 0.634 12.764 1.383 1.00 0.00 C ATOM 274 O LYS A 18 1.288 11.714 1.320 1.00 0.00 O ATOM 275 CB LYS A 18 0.349 14.840 0.003 1.00 0.00 C ATOM 276 CG LYS A 18 0.947 15.210 -1.347 1.00 0.00 C ATOM 277 CD LYS A 18 2.170 14.366 -1.676 1.00 0.00 C ATOM 278 CE LYS A 18 3.304 14.589 -0.685 1.00 0.00 C ATOM 279 NZ LYS A 18 3.898 15.946 -0.806 1.00 0.00 N ATOM 0 H LYS A 18 -2.013 14.088 0.213 1.00 0.00 H new ATOM 0 HA LYS A 18 0.327 12.819 -0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.538 15.450 0.175 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.064 15.089 0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.195 15.079 -2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.223 16.264 -1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.893 13.312 -1.677 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.516 14.606 -2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.931 14.447 0.329 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.079 13.840 -0.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.719 16.023 -0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.202 16.106 -1.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.189 16.660 -0.543 1.00 0.00 H new ATOM 293 N SER A 19 0.450 13.436 2.517 1.00 0.00 N ATOM 294 CA SER A 19 1.015 12.982 3.794 1.00 0.00 C ATOM 295 C SER A 19 0.458 11.610 4.167 1.00 0.00 C ATOM 296 O SER A 19 1.156 10.765 4.738 1.00 0.00 O ATOM 297 CB SER A 19 0.698 13.989 4.905 1.00 0.00 C ATOM 298 OG SER A 19 -0.688 14.298 4.936 1.00 0.00 O ATOM 0 H SER A 19 -0.087 14.301 2.582 1.00 0.00 H new ATOM 0 HA SER A 19 2.096 12.905 3.681 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.004 13.581 5.868 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.274 14.901 4.748 1.00 0.00 H new ATOM 0 HG SER A 19 -0.864 14.941 5.654 1.00 0.00 H new ATOM 304 N VAL A 20 -0.811 11.399 3.835 1.00 0.00 N ATOM 305 CA VAL A 20 -1.473 10.130 4.098 1.00 0.00 C ATOM 306 C VAL A 20 -0.800 8.998 3.311 1.00 0.00 C ATOM 307 O VAL A 20 -0.565 7.918 3.846 1.00 0.00 O ATOM 308 CB VAL A 20 -2.972 10.191 3.737 1.00 0.00 C ATOM 309 CG1 VAL A 20 -3.640 8.842 3.956 1.00 0.00 C ATOM 310 CG2 VAL A 20 -3.668 11.271 4.552 1.00 0.00 C ATOM 0 H VAL A 20 -1.403 12.095 3.381 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.383 9.930 5.166 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.059 10.442 2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.696 8.912 3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.159 8.092 3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.544 8.554 5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.725 11.303 4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.567 11.047 5.614 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.212 12.238 4.340 1.00 0.00 H new ATOM 320 N PHE A 21 -0.467 9.262 2.049 1.00 0.00 N ATOM 321 CA PHE A 21 0.187 8.262 1.208 1.00 0.00 C ATOM 322 C PHE A 21 1.503 7.796 1.814 1.00 0.00 C ATOM 323 O PHE A 21 1.754 6.606 1.880 1.00 0.00 O ATOM 324 CB PHE A 21 0.457 8.793 -0.199 1.00 0.00 C ATOM 325 CG PHE A 21 0.986 7.741 -1.131 1.00 0.00 C ATOM 326 CD1 PHE A 21 0.188 6.678 -1.520 1.00 0.00 C ATOM 327 CD2 PHE A 21 2.284 7.811 -1.613 1.00 0.00 C ATOM 328 CE1 PHE A 21 0.671 5.705 -2.370 1.00 0.00 C ATOM 329 CE2 PHE A 21 2.773 6.839 -2.463 1.00 0.00 C ATOM 330 CZ PHE A 21 1.966 5.786 -2.843 1.00 0.00 C ATOM 0 H PHE A 21 -0.638 10.156 1.588 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.502 7.420 1.147 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.465 9.204 -0.610 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.173 9.613 -0.141 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.825 6.610 -1.153 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.919 8.634 -1.321 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.038 4.881 -2.665 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.787 6.903 -2.830 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.347 5.026 -3.509 1.00 0.00 H new ATOM 340 N VAL A 22 2.341 8.729 2.259 1.00 0.00 N ATOM 341 CA VAL A 22 3.633 8.350 2.853 1.00 0.00 C ATOM 342 C VAL A 22 3.457 7.433 4.073 1.00 0.00 C ATOM 343 O VAL A 22 3.963 6.301 4.089 1.00 0.00 O ATOM 344 CB VAL A 22 4.490 9.566 3.270 1.00 0.00 C ATOM 345 CG1 VAL A 22 5.884 9.442 2.684 1.00 0.00 C ATOM 346 CG2 VAL A 22 3.853 10.878 2.846 1.00 0.00 C ATOM 0 H VAL A 22 2.161 9.732 2.224 1.00 0.00 H new ATOM 0 HA VAL A 22 4.157 7.814 2.062 1.00 0.00 H new ATOM 0 HB VAL A 22 4.554 9.572 4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.482 10.303 2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.353 8.529 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.820 9.404 1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.487 11.708 3.158 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.741 10.895 1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.873 10.974 3.313 1.00 0.00 H new ATOM 356 N ARG A 23 2.721 7.906 5.085 1.00 0.00 N ATOM 357 CA ARG A 23 2.496 7.109 6.297 1.00 0.00 C ATOM 358 C ARG A 23 1.808 5.771 5.976 1.00 0.00 C ATOM 359 O ARG A 23 2.015 4.776 6.669 1.00 0.00 O ATOM 360 CB ARG A 23 1.701 7.900 7.348 1.00 0.00 C ATOM 361 CG ARG A 23 0.384 8.483 6.856 1.00 0.00 C ATOM 362 CD ARG A 23 -0.802 7.604 7.234 1.00 0.00 C ATOM 363 NE ARG A 23 -0.711 7.109 8.605 1.00 0.00 N ATOM 364 CZ ARG A 23 -0.807 5.846 8.929 1.00 0.00 C ATOM 365 NH1 ARG A 23 -1.016 4.949 8.017 1.00 0.00 N ATOM 366 NH2 ARG A 23 -0.705 5.481 10.165 1.00 0.00 N ATOM 0 H ARG A 23 2.276 8.824 5.091 1.00 0.00 H new ATOM 0 HA ARG A 23 3.475 6.882 6.720 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.497 7.245 8.195 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.325 8.714 7.717 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.247 9.479 7.278 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.420 8.598 5.773 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.725 8.172 7.116 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.858 6.759 6.548 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.564 7.787 9.352 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.107 5.227 7.040 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.090 3.965 8.277 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.549 6.179 10.892 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.781 4.495 10.413 1.00 0.00 H new ATOM 380 N ASN A 24 0.994 5.751 4.924 1.00 0.00 N ATOM 381 CA ASN A 24 0.322 4.527 4.502 1.00 0.00 C ATOM 382 C ASN A 24 1.313 3.621 3.777 1.00 0.00 C ATOM 383 O ASN A 24 1.431 2.447 4.093 1.00 0.00 O ATOM 384 CB ASN A 24 -0.844 4.844 3.564 1.00 0.00 C ATOM 385 CG ASN A 24 -2.111 5.225 4.298 1.00 0.00 C ATOM 386 OD1 ASN A 24 -2.108 5.454 5.501 1.00 0.00 O ATOM 387 ND2 ASN A 24 -3.211 5.291 3.575 1.00 0.00 N ATOM 0 H ASN A 24 0.784 6.567 4.349 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.064 4.025 5.389 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.557 5.659 2.900 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.043 3.976 2.935 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.097 5.539 4.016 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.177 5.094 2.575 1.00 0.00 H new ATOM 394 N LEU A 25 2.031 4.211 2.819 1.00 0.00 N ATOM 395 CA LEU A 25 3.028 3.522 1.996 1.00 0.00 C ATOM 396 C LEU A 25 3.924 2.581 2.798 1.00 0.00 C ATOM 397 O LEU A 25 4.186 1.468 2.362 1.00 0.00 O ATOM 398 CB LEU A 25 3.898 4.545 1.259 1.00 0.00 C ATOM 399 CG LEU A 25 4.797 3.968 0.166 1.00 0.00 C ATOM 400 CD1 LEU A 25 3.957 3.350 -0.940 1.00 0.00 C ATOM 401 CD2 LEU A 25 5.711 5.047 -0.394 1.00 0.00 C ATOM 0 H LEU A 25 1.934 5.200 2.589 1.00 0.00 H new ATOM 0 HA LEU A 25 2.472 2.910 1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.247 5.297 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.524 5.058 1.989 1.00 0.00 H new ATOM 0 HG LEU A 25 5.418 3.186 0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.612 2.944 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.343 2.550 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.313 4.113 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.345 4.620 -1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.108 5.850 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.336 5.445 0.405 1.00 0.00 H new ATOM 413 N ASN A 26 4.410 3.029 3.954 1.00 0.00 N ATOM 414 CA ASN A 26 5.258 2.170 4.793 1.00 0.00 C ATOM 415 C ASN A 26 4.580 0.813 5.073 1.00 0.00 C ATOM 416 O ASN A 26 5.105 -0.251 4.718 1.00 0.00 O ATOM 417 CB ASN A 26 5.591 2.865 6.112 1.00 0.00 C ATOM 418 CG ASN A 26 6.383 4.136 5.902 1.00 0.00 C ATOM 419 OD1 ASN A 26 5.838 5.231 5.913 1.00 0.00 O ATOM 420 ND2 ASN A 26 7.678 4.001 5.705 1.00 0.00 N ATOM 0 H ASN A 26 4.239 3.962 4.330 1.00 0.00 H new ATOM 0 HA ASN A 26 6.182 1.985 4.244 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.667 3.098 6.642 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.160 2.185 6.746 1.00 0.00 H new ATOM 0 HD21 ASN A 26 8.260 4.825 5.555 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.099 3.072 5.702 1.00 0.00 H new ATOM 427 N GLU A 27 3.395 0.858 5.674 1.00 0.00 N ATOM 428 CA GLU A 27 2.653 -0.359 5.988 1.00 0.00 C ATOM 429 C GLU A 27 2.091 -0.983 4.709 1.00 0.00 C ATOM 430 O GLU A 27 2.056 -2.201 4.560 1.00 0.00 O ATOM 431 CB GLU A 27 1.519 -0.048 6.967 1.00 0.00 C ATOM 432 CG GLU A 27 1.028 -1.267 7.731 1.00 0.00 C ATOM 433 CD GLU A 27 -0.002 -0.922 8.785 1.00 0.00 C ATOM 434 OE1 GLU A 27 0.210 0.056 9.538 1.00 0.00 O ATOM 435 OE2 GLU A 27 -1.026 -1.631 8.872 1.00 0.00 O ATOM 0 H GLU A 27 2.929 1.721 5.953 1.00 0.00 H new ATOM 0 HA GLU A 27 3.333 -1.072 6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.860 0.704 7.678 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.684 0.388 6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.598 -1.981 7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.877 -1.759 8.206 1.00 0.00 H new ATOM 442 N LEU A 28 1.670 -0.125 3.789 1.00 0.00 N ATOM 443 CA LEU A 28 1.125 -0.547 2.504 1.00 0.00 C ATOM 444 C LEU A 28 2.128 -1.420 1.738 1.00 0.00 C ATOM 445 O LEU A 28 1.782 -2.487 1.234 1.00 0.00 O ATOM 446 CB LEU A 28 0.759 0.687 1.672 1.00 0.00 C ATOM 447 CG LEU A 28 -0.731 1.023 1.604 1.00 0.00 C ATOM 448 CD1 LEU A 28 -0.949 2.307 0.820 1.00 0.00 C ATOM 449 CD2 LEU A 28 -1.507 -0.119 0.975 1.00 0.00 C ATOM 0 H LEU A 28 1.697 0.887 3.913 1.00 0.00 H new ATOM 0 HA LEU A 28 0.231 -1.143 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.288 1.548 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.126 0.540 0.656 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.098 1.170 2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.015 2.533 0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.422 3.126 1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.566 2.184 -0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.565 0.139 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.139 -0.296 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.375 -1.021 1.573 1.00 0.00 H new ATOM 461 N GLU A 29 3.374 -0.964 1.661 1.00 0.00 N ATOM 462 CA GLU A 29 4.422 -1.710 0.975 1.00 0.00 C ATOM 463 C GLU A 29 4.733 -3.010 1.716 1.00 0.00 C ATOM 464 O GLU A 29 4.972 -4.048 1.093 1.00 0.00 O ATOM 465 CB GLU A 29 5.691 -0.866 0.839 1.00 0.00 C ATOM 466 CG GLU A 29 6.714 -1.474 -0.103 1.00 0.00 C ATOM 467 CD GLU A 29 7.704 -0.463 -0.624 1.00 0.00 C ATOM 468 OE1 GLU A 29 8.608 -0.055 0.137 1.00 0.00 O ATOM 469 OE2 GLU A 29 7.592 -0.079 -1.801 1.00 0.00 O ATOM 0 H GLU A 29 3.683 -0.080 2.066 1.00 0.00 H new ATOM 0 HA GLU A 29 4.060 -1.955 -0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.422 0.128 0.481 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.143 -0.739 1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.252 -2.268 0.416 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.197 -1.936 -0.944 1.00 0.00 H new ATOM 476 N ALA A 30 4.711 -2.957 3.049 1.00 0.00 N ATOM 477 CA ALA A 30 4.966 -4.144 3.854 1.00 0.00 C ATOM 478 C ALA A 30 3.882 -5.183 3.586 1.00 0.00 C ATOM 479 O ALA A 30 4.159 -6.374 3.434 1.00 0.00 O ATOM 480 CB ALA A 30 5.013 -3.783 5.331 1.00 0.00 C ATOM 0 H ALA A 30 4.521 -2.111 3.586 1.00 0.00 H new ATOM 0 HA ALA A 30 5.934 -4.564 3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.204 -4.681 5.919 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.810 -3.059 5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.059 -3.350 5.630 1.00 0.00 H new ATOM 486 N LEU A 31 2.642 -4.713 3.500 1.00 0.00 N ATOM 487 CA LEU A 31 1.513 -5.585 3.221 1.00 0.00 C ATOM 488 C LEU A 31 1.607 -6.167 1.805 1.00 0.00 C ATOM 489 O LEU A 31 1.292 -7.335 1.583 1.00 0.00 O ATOM 490 CB LEU A 31 0.191 -4.834 3.393 1.00 0.00 C ATOM 491 CG LEU A 31 -0.120 -4.385 4.822 1.00 0.00 C ATOM 492 CD1 LEU A 31 -1.375 -3.531 4.845 1.00 0.00 C ATOM 493 CD2 LEU A 31 -0.274 -5.587 5.741 1.00 0.00 C ATOM 0 H LEU A 31 2.396 -3.730 3.620 1.00 0.00 H new ATOM 0 HA LEU A 31 1.543 -6.407 3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.203 -3.956 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.620 -5.474 3.045 1.00 0.00 H new ATOM 0 HG LEU A 31 0.714 -3.785 5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.584 -3.219 5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.227 -2.650 4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.216 -4.110 4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.495 -5.246 6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.090 -6.216 5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.652 -6.162 5.746 1.00 0.00 H new ATOM 505 N ALA A 32 2.040 -5.343 0.850 1.00 0.00 N ATOM 506 CA ALA A 32 2.200 -5.784 -0.539 1.00 0.00 C ATOM 507 C ALA A 32 3.159 -6.975 -0.631 1.00 0.00 C ATOM 508 O ALA A 32 2.863 -7.974 -1.286 1.00 0.00 O ATOM 509 CB ALA A 32 2.707 -4.638 -1.403 1.00 0.00 C ATOM 0 H ALA A 32 2.287 -4.366 1.011 1.00 0.00 H new ATOM 0 HA ALA A 32 1.224 -6.101 -0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.821 -4.981 -2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.993 -3.815 -1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.671 -4.297 -1.025 1.00 0.00 H new ATOM 515 N VAL A 33 4.304 -6.862 0.043 1.00 0.00 N ATOM 516 CA VAL A 33 5.304 -7.932 0.064 1.00 0.00 C ATOM 517 C VAL A 33 4.723 -9.211 0.691 1.00 0.00 C ATOM 518 O VAL A 33 5.031 -10.328 0.265 1.00 0.00 O ATOM 519 CB VAL A 33 6.564 -7.498 0.849 1.00 0.00 C ATOM 520 CG1 VAL A 33 7.584 -8.622 0.921 1.00 0.00 C ATOM 521 CG2 VAL A 33 7.183 -6.259 0.218 1.00 0.00 C ATOM 0 H VAL A 33 4.563 -6.037 0.584 1.00 0.00 H new ATOM 0 HA VAL A 33 5.586 -8.138 -0.969 1.00 0.00 H new ATOM 0 HB VAL A 33 6.258 -7.258 1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.458 -8.285 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.142 -9.483 1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.885 -8.906 -0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.068 -5.967 0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.465 -6.477 -0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.459 -5.444 0.231 1.00 0.00 H new ATOM 531 N ARG A 34 3.880 -9.033 1.704 1.00 0.00 N ATOM 532 CA ARG A 34 3.232 -10.152 2.391 1.00 0.00 C ATOM 533 C ARG A 34 2.198 -10.847 1.495 1.00 0.00 C ATOM 534 O ARG A 34 2.095 -12.075 1.475 1.00 0.00 O ATOM 535 CB ARG A 34 2.532 -9.652 3.655 1.00 0.00 C ATOM 536 CG ARG A 34 3.478 -9.136 4.723 1.00 0.00 C ATOM 537 CD ARG A 34 2.720 -8.411 5.821 1.00 0.00 C ATOM 538 NE ARG A 34 3.440 -8.429 7.085 1.00 0.00 N ATOM 539 CZ ARG A 34 2.897 -8.752 8.226 1.00 0.00 C ATOM 540 NH1 ARG A 34 1.640 -9.064 8.290 1.00 0.00 N ATOM 541 NH2 ARG A 34 3.614 -8.756 9.306 1.00 0.00 N ATOM 0 H ARG A 34 3.626 -8.116 2.072 1.00 0.00 H new ATOM 0 HA ARG A 34 4.009 -10.872 2.646 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.839 -8.856 3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.937 -10.464 4.073 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.037 -9.968 5.151 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.206 -8.461 4.273 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.544 -7.379 5.519 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.743 -8.875 5.954 1.00 0.00 H new ATOM 0 HE ARG A 34 4.428 -8.174 7.079 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.069 -9.058 7.445 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.222 -9.316 9.186 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.602 -8.507 9.263 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.190 -9.008 10.199 1.00 0.00 H new ATOM 555 N LEU A 35 1.420 -10.053 0.770 1.00 0.00 N ATOM 556 CA LEU A 35 0.387 -10.586 -0.119 1.00 0.00 C ATOM 557 C LEU A 35 0.981 -11.286 -1.349 1.00 0.00 C ATOM 558 O LEU A 35 0.508 -12.349 -1.749 1.00 0.00 O ATOM 559 CB LEU A 35 -0.568 -9.471 -0.548 1.00 0.00 C ATOM 560 CG LEU A 35 -1.257 -8.742 0.607 1.00 0.00 C ATOM 561 CD1 LEU A 35 -2.218 -7.690 0.083 1.00 0.00 C ATOM 562 CD2 LEU A 35 -1.982 -9.734 1.503 1.00 0.00 C ATOM 0 H LEU A 35 1.483 -9.035 0.778 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.167 -11.339 0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.013 -8.743 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.332 -9.896 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.493 -8.237 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.697 -7.184 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.670 -6.962 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.979 -8.167 -0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.467 -9.200 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.734 -10.267 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.266 -10.447 1.911 1.00 0.00 H new ATOM 574 N GLY A 36 2.009 -10.695 -1.950 1.00 0.00 N ATOM 575 CA GLY A 36 2.628 -11.311 -3.116 1.00 0.00 C ATOM 576 C GLY A 36 3.292 -10.317 -4.060 1.00 0.00 C ATOM 577 O GLY A 36 4.005 -9.409 -3.629 1.00 0.00 O ATOM 0 H GLY A 36 2.423 -9.810 -1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.373 -12.032 -2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.870 -11.868 -3.666 1.00 0.00 H new ATOM 581 N LYS A 37 3.068 -10.494 -5.356 1.00 0.00 N ATOM 582 CA LYS A 37 3.655 -9.614 -6.363 1.00 0.00 C ATOM 583 C LYS A 37 2.587 -8.791 -7.092 1.00 0.00 C ATOM 584 O LYS A 37 2.775 -7.600 -7.338 1.00 0.00 O ATOM 585 CB LYS A 37 4.456 -10.428 -7.378 1.00 0.00 C ATOM 586 CG LYS A 37 5.398 -9.584 -8.218 1.00 0.00 C ATOM 587 CD LYS A 37 5.767 -10.279 -9.515 1.00 0.00 C ATOM 588 CE LYS A 37 6.743 -9.445 -10.325 1.00 0.00 C ATOM 589 NZ LYS A 37 6.814 -9.887 -11.739 1.00 0.00 N ATOM 0 H LYS A 37 2.484 -11.239 -5.736 1.00 0.00 H new ATOM 0 HA LYS A 37 4.318 -8.923 -5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.033 -11.187 -6.850 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.765 -10.954 -8.037 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.929 -8.625 -8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.303 -9.372 -7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.209 -11.251 -9.297 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.867 -10.462 -10.102 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.443 -8.398 -10.287 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.734 -9.509 -9.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.492 -9.291 -12.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.126 -10.878 -11.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.874 -9.802 -12.177 1.00 0.00 H new ATOM 603 N SER A 38 1.465 -9.425 -7.431 1.00 0.00 N ATOM 604 CA SER A 38 0.374 -8.735 -8.136 1.00 0.00 C ATOM 605 C SER A 38 -0.143 -7.537 -7.334 1.00 0.00 C ATOM 606 O SER A 38 -0.421 -6.476 -7.896 1.00 0.00 O ATOM 607 CB SER A 38 -0.781 -9.695 -8.437 1.00 0.00 C ATOM 608 OG SER A 38 -1.323 -10.246 -7.248 1.00 0.00 O ATOM 0 H SER A 38 1.284 -10.409 -7.233 1.00 0.00 H new ATOM 0 HA SER A 38 0.783 -8.369 -9.078 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.562 -9.166 -8.983 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.428 -10.498 -9.084 1.00 0.00 H new ATOM 0 HG SER A 38 -2.059 -10.853 -7.474 1.00 0.00 H new ATOM 614 N TYR A 39 -0.264 -7.701 -6.021 1.00 0.00 N ATOM 615 CA TYR A 39 -0.718 -6.611 -5.161 1.00 0.00 C ATOM 616 C TYR A 39 0.357 -5.520 -5.063 1.00 0.00 C ATOM 617 O TYR A 39 0.047 -4.338 -4.910 1.00 0.00 O ATOM 618 CB TYR A 39 -1.087 -7.135 -3.774 1.00 0.00 C ATOM 619 CG TYR A 39 -2.526 -7.596 -3.671 1.00 0.00 C ATOM 620 CD1 TYR A 39 -2.918 -8.838 -4.152 1.00 0.00 C ATOM 621 CD2 TYR A 39 -3.492 -6.784 -3.090 1.00 0.00 C ATOM 622 CE1 TYR A 39 -4.232 -9.259 -4.057 1.00 0.00 C ATOM 623 CE2 TYR A 39 -4.806 -7.198 -2.988 1.00 0.00 C ATOM 624 CZ TYR A 39 -5.172 -8.435 -3.473 1.00 0.00 C ATOM 625 OH TYR A 39 -6.480 -8.853 -3.369 1.00 0.00 O ATOM 0 H TYR A 39 -0.056 -8.571 -5.531 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.611 -6.172 -5.605 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.428 -7.965 -3.520 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.910 -6.351 -3.038 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.184 -9.486 -4.608 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.211 -5.812 -2.712 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.521 -10.227 -4.438 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.543 -6.555 -2.530 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.013 -8.156 -2.932 1.00 0.00 H new ATOM 635 N ARG A 40 1.623 -5.923 -5.174 1.00 0.00 N ATOM 636 CA ARG A 40 2.732 -4.973 -5.133 1.00 0.00 C ATOM 637 C ARG A 40 2.659 -4.041 -6.339 1.00 0.00 C ATOM 638 O ARG A 40 2.973 -2.859 -6.246 1.00 0.00 O ATOM 639 CB ARG A 40 4.078 -5.694 -5.132 1.00 0.00 C ATOM 640 CG ARG A 40 5.185 -4.897 -4.458 1.00 0.00 C ATOM 641 CD ARG A 40 6.541 -5.140 -5.108 1.00 0.00 C ATOM 642 NE ARG A 40 6.540 -4.829 -6.537 1.00 0.00 N ATOM 643 CZ ARG A 40 6.696 -3.629 -7.035 1.00 0.00 C ATOM 644 NH1 ARG A 40 6.843 -2.595 -6.266 1.00 0.00 N ATOM 645 NH2 ARG A 40 6.705 -3.460 -8.318 1.00 0.00 N ATOM 0 H ARG A 40 1.904 -6.896 -5.292 1.00 0.00 H new ATOM 0 HA ARG A 40 2.648 -4.397 -4.212 1.00 0.00 H new ATOM 0 HB2 ARG A 40 3.969 -6.653 -4.625 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.368 -5.909 -6.160 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.946 -3.834 -4.504 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.235 -5.167 -3.403 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.295 -4.532 -4.608 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.827 -6.182 -4.966 1.00 0.00 H new ATOM 0 HE ARG A 40 6.409 -5.601 -7.191 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.838 -2.709 -5.252 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.963 -1.668 -6.675 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.591 -4.261 -8.939 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.826 -2.526 -8.708 1.00 0.00 H new ATOM 659 N ILE A 41 2.247 -4.597 -7.475 1.00 0.00 N ATOM 660 CA ILE A 41 2.090 -3.821 -8.709 1.00 0.00 C ATOM 661 C ILE A 41 1.085 -2.676 -8.505 1.00 0.00 C ATOM 662 O ILE A 41 1.296 -1.560 -8.979 1.00 0.00 O ATOM 663 CB ILE A 41 1.629 -4.717 -9.880 1.00 0.00 C ATOM 664 CG1 ILE A 41 2.590 -5.896 -10.052 1.00 0.00 C ATOM 665 CG2 ILE A 41 1.539 -3.911 -11.170 1.00 0.00 C ATOM 666 CD1 ILE A 41 2.096 -6.950 -11.018 1.00 0.00 C ATOM 0 H ILE A 41 2.014 -5.586 -7.570 1.00 0.00 H new ATOM 0 HA ILE A 41 3.064 -3.401 -8.958 1.00 0.00 H new ATOM 0 HB ILE A 41 0.637 -5.105 -9.650 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.552 -5.521 -10.399 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.760 -6.359 -9.080 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.213 -4.560 -11.983 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.822 -3.100 -11.043 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.518 -3.495 -11.408 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.830 -7.753 -11.087 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.149 -7.354 -10.662 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.953 -6.503 -12.002 1.00 0.00 H new ATOM 678 N GLN A 42 -0.003 -2.958 -7.783 1.00 0.00 N ATOM 679 CA GLN A 42 -1.014 -1.938 -7.489 1.00 0.00 C ATOM 680 C GLN A 42 -0.383 -0.815 -6.663 1.00 0.00 C ATOM 681 O GLN A 42 -0.610 0.374 -6.909 1.00 0.00 O ATOM 682 CB GLN A 42 -2.189 -2.542 -6.713 1.00 0.00 C ATOM 683 CG GLN A 42 -2.643 -3.898 -7.230 1.00 0.00 C ATOM 684 CD GLN A 42 -3.948 -4.353 -6.605 1.00 0.00 C ATOM 685 OE1 GLN A 42 -4.714 -5.089 -7.212 1.00 0.00 O ATOM 686 NE2 GLN A 42 -4.212 -3.921 -5.388 1.00 0.00 N ATOM 0 H GLN A 42 -0.206 -3.878 -7.393 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.388 -1.541 -8.433 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -1.906 -2.641 -5.665 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.030 -1.850 -6.752 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.760 -3.849 -8.313 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.869 -4.638 -7.026 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.552 -3.308 -4.910 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.077 -4.200 -4.924 1.00 0.00 H new ATOM 695 N LEU A 43 0.414 -1.214 -5.677 1.00 0.00 N ATOM 696 CA LEU A 43 1.123 -0.265 -4.827 1.00 0.00 C ATOM 697 C LEU A 43 2.119 0.542 -5.664 1.00 0.00 C ATOM 698 O LEU A 43 2.187 1.761 -5.563 1.00 0.00 O ATOM 699 CB LEU A 43 1.861 -1.008 -3.716 1.00 0.00 C ATOM 700 CG LEU A 43 2.737 -0.133 -2.826 1.00 0.00 C ATOM 701 CD1 LEU A 43 1.941 0.376 -1.637 1.00 0.00 C ATOM 702 CD2 LEU A 43 3.962 -0.905 -2.371 1.00 0.00 C ATOM 0 H LEU A 43 0.585 -2.193 -5.447 1.00 0.00 H new ATOM 0 HA LEU A 43 0.400 0.416 -4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.127 -1.517 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.485 -1.780 -4.168 1.00 0.00 H new ATOM 0 HG LEU A 43 3.073 0.729 -3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.580 0.999 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.095 0.965 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.576 -0.470 -1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.578 -0.268 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.649 -1.785 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.539 -1.217 -3.241 1.00 0.00 H new ATOM 714 N ASP A 44 2.888 -0.169 -6.487 1.00 0.00 N ATOM 715 CA ASP A 44 3.870 0.438 -7.388 1.00 0.00 C ATOM 716 C ASP A 44 3.220 1.528 -8.247 1.00 0.00 C ATOM 717 O ASP A 44 3.774 2.619 -8.414 1.00 0.00 O ATOM 718 CB ASP A 44 4.464 -0.647 -8.283 1.00 0.00 C ATOM 719 CG ASP A 44 5.776 -0.237 -8.905 1.00 0.00 C ATOM 720 OD1 ASP A 44 6.831 -0.483 -8.286 1.00 0.00 O ATOM 721 OD2 ASP A 44 5.763 0.315 -10.024 1.00 0.00 O ATOM 0 H ASP A 44 2.848 -1.186 -6.549 1.00 0.00 H new ATOM 0 HA ASP A 44 4.658 0.900 -6.794 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.612 -1.554 -7.697 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.753 -0.890 -9.072 1.00 0.00 H new ATOM 726 N GLN A 45 2.040 1.222 -8.785 1.00 0.00 N ATOM 727 CA GLN A 45 1.288 2.174 -9.597 1.00 0.00 C ATOM 728 C GLN A 45 0.967 3.431 -8.779 1.00 0.00 C ATOM 729 O GLN A 45 1.016 4.548 -9.289 1.00 0.00 O ATOM 730 CB GLN A 45 0.001 1.525 -10.110 1.00 0.00 C ATOM 731 CG GLN A 45 -0.753 2.373 -11.120 1.00 0.00 C ATOM 732 CD GLN A 45 -1.616 1.541 -12.046 1.00 0.00 C ATOM 733 OE1 GLN A 45 -2.782 1.289 -11.773 1.00 0.00 O ATOM 734 NE2 GLN A 45 -1.044 1.102 -13.148 1.00 0.00 N ATOM 0 H GLN A 45 1.583 0.317 -8.671 1.00 0.00 H new ATOM 0 HA GLN A 45 1.896 2.466 -10.453 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.246 0.566 -10.566 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.653 1.318 -9.263 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.380 3.091 -10.591 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.040 2.948 -11.711 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.070 1.332 -13.343 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.575 0.532 -13.806 1.00 0.00 H new ATOM 743 N ALA A 46 0.647 3.237 -7.504 1.00 0.00 N ATOM 744 CA ALA A 46 0.353 4.355 -6.608 1.00 0.00 C ATOM 745 C ALA A 46 1.626 5.159 -6.286 1.00 0.00 C ATOM 746 O ALA A 46 1.579 6.383 -6.154 1.00 0.00 O ATOM 747 CB ALA A 46 -0.299 3.851 -5.330 1.00 0.00 C ATOM 0 H ALA A 46 0.584 2.318 -7.066 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.344 5.022 -7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.512 4.694 -4.673 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.229 3.337 -5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.376 3.159 -4.826 1.00 0.00 H new ATOM 753 N LYS A 47 2.762 4.465 -6.156 1.00 0.00 N ATOM 754 CA LYS A 47 4.043 5.127 -5.869 1.00 0.00 C ATOM 755 C LYS A 47 4.402 6.132 -6.972 1.00 0.00 C ATOM 756 O LYS A 47 4.840 7.249 -6.692 1.00 0.00 O ATOM 757 CB LYS A 47 5.185 4.109 -5.727 1.00 0.00 C ATOM 758 CG LYS A 47 4.827 2.857 -4.939 1.00 0.00 C ATOM 759 CD LYS A 47 6.068 2.128 -4.442 1.00 0.00 C ATOM 760 CE LYS A 47 6.772 2.912 -3.346 1.00 0.00 C ATOM 761 NZ LYS A 47 8.002 2.228 -2.869 1.00 0.00 N ATOM 0 H LYS A 47 2.823 3.451 -6.244 1.00 0.00 H new ATOM 0 HA LYS A 47 3.921 5.654 -4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.515 3.813 -6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.031 4.597 -5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.200 3.129 -4.090 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.239 2.188 -5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.787 1.145 -4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.754 1.966 -5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.031 3.903 -3.719 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.090 3.055 -2.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.365 2.715 -2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.780 1.240 -2.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.724 2.250 -3.618 1.00 0.00 H new ATOM 775 N GLU A 48 4.224 5.730 -8.230 1.00 0.00 N ATOM 776 CA GLU A 48 4.511 6.617 -9.359 1.00 0.00 C ATOM 777 C GLU A 48 3.386 7.644 -9.527 1.00 0.00 C ATOM 778 O GLU A 48 3.606 8.749 -10.018 1.00 0.00 O ATOM 779 CB GLU A 48 4.706 5.818 -10.650 1.00 0.00 C ATOM 780 CG GLU A 48 3.631 4.776 -10.893 1.00 0.00 C ATOM 781 CD GLU A 48 3.755 4.108 -12.244 1.00 0.00 C ATOM 782 OE1 GLU A 48 4.694 3.310 -12.434 1.00 0.00 O ATOM 783 OE2 GLU A 48 2.903 4.368 -13.119 1.00 0.00 O ATOM 0 H GLU A 48 3.885 4.804 -8.493 1.00 0.00 H new ATOM 0 HA GLU A 48 5.440 7.147 -9.148 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.727 6.508 -11.494 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.677 5.324 -10.617 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.684 4.018 -10.112 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.651 5.247 -10.814 1.00 0.00 H new ATOM 790 N LYS A 49 2.180 7.265 -9.105 1.00 0.00 N ATOM 791 CA LYS A 49 1.010 8.145 -9.161 1.00 0.00 C ATOM 792 C LYS A 49 1.263 9.418 -8.341 1.00 0.00 C ATOM 793 O LYS A 49 0.929 10.528 -8.755 1.00 0.00 O ATOM 794 CB LYS A 49 -0.215 7.396 -8.620 1.00 0.00 C ATOM 795 CG LYS A 49 -1.457 8.252 -8.431 1.00 0.00 C ATOM 796 CD LYS A 49 -2.225 7.835 -7.185 1.00 0.00 C ATOM 797 CE LYS A 49 -3.710 8.153 -7.294 1.00 0.00 C ATOM 798 NZ LYS A 49 -3.958 9.602 -7.515 1.00 0.00 N ATOM 0 H LYS A 49 1.985 6.343 -8.716 1.00 0.00 H new ATOM 0 HA LYS A 49 0.825 8.435 -10.195 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.454 6.580 -9.302 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.047 6.945 -7.663 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.171 9.301 -8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.101 8.162 -9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.095 6.765 -7.021 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.809 8.344 -6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.143 7.582 -8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.216 7.834 -6.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.981 9.788 -7.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.481 10.153 -6.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.586 9.880 -8.445 1.00 0.00 H new ATOM 812 N TRP A 50 1.870 9.244 -7.172 1.00 0.00 N ATOM 813 CA TRP A 50 2.195 10.369 -6.299 1.00 0.00 C ATOM 814 C TRP A 50 3.630 10.860 -6.531 1.00 0.00 C ATOM 815 O TRP A 50 4.146 11.681 -5.773 1.00 0.00 O ATOM 816 CB TRP A 50 2.003 9.971 -4.838 1.00 0.00 C ATOM 817 CG TRP A 50 0.649 10.309 -4.311 1.00 0.00 C ATOM 818 CD1 TRP A 50 -0.258 9.444 -3.786 1.00 0.00 C ATOM 819 CD2 TRP A 50 0.048 11.608 -4.260 1.00 0.00 C ATOM 820 NE1 TRP A 50 -1.382 10.122 -3.400 1.00 0.00 N ATOM 821 CE2 TRP A 50 -1.223 11.452 -3.683 1.00 0.00 C ATOM 822 CE3 TRP A 50 0.460 12.888 -4.643 1.00 0.00 C ATOM 823 CZ2 TRP A 50 -2.087 12.525 -3.478 1.00 0.00 C ATOM 824 CZ3 TRP A 50 -0.397 13.952 -4.442 1.00 0.00 C ATOM 825 CH2 TRP A 50 -1.658 13.765 -3.863 1.00 0.00 C ATOM 0 H TRP A 50 2.148 8.334 -6.806 1.00 0.00 H new ATOM 0 HA TRP A 50 1.518 11.189 -6.539 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.169 8.899 -4.735 1.00 0.00 H new ATOM 0 HB3 TRP A 50 2.758 10.470 -4.230 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -0.113 8.378 -3.688 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -2.207 9.703 -2.970 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.432 13.042 -5.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.060 12.383 -3.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.090 14.945 -4.736 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -2.305 14.617 -3.718 1.00 0.00 H new ATOM 836 N LYS A 51 4.260 10.344 -7.586 1.00 0.00 N ATOM 837 CA LYS A 51 5.632 10.713 -7.958 1.00 0.00 C ATOM 838 C LYS A 51 6.632 10.527 -6.806 1.00 0.00 C ATOM 839 O LYS A 51 7.475 11.387 -6.548 1.00 0.00 O ATOM 840 CB LYS A 51 5.669 12.154 -8.479 1.00 0.00 C ATOM 841 CG LYS A 51 4.860 12.352 -9.753 1.00 0.00 C ATOM 842 CD LYS A 51 5.341 11.430 -10.863 1.00 0.00 C ATOM 843 CE LYS A 51 4.317 11.306 -11.981 1.00 0.00 C ATOM 844 NZ LYS A 51 4.122 12.586 -12.712 1.00 0.00 N ATOM 0 H LYS A 51 3.836 9.657 -8.210 1.00 0.00 H new ATOM 0 HA LYS A 51 5.942 10.033 -8.752 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.288 12.823 -7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.704 12.440 -8.666 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.806 12.161 -9.550 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.939 13.389 -10.079 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.278 11.810 -11.270 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.549 10.443 -10.450 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.639 10.535 -12.682 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.364 10.980 -11.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.416 12.452 -13.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.789 13.316 -12.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.024 12.886 -13.134 1.00 0.00 H new ATOM 858 N VAL A 52 6.534 9.394 -6.121 1.00 0.00 N ATOM 859 CA VAL A 52 7.439 9.086 -5.015 1.00 0.00 C ATOM 860 C VAL A 52 8.683 8.346 -5.521 1.00 0.00 C ATOM 861 O VAL A 52 9.815 8.711 -5.200 1.00 0.00 O ATOM 862 CB VAL A 52 6.737 8.232 -3.936 1.00 0.00 C ATOM 863 CG1 VAL A 52 7.669 7.960 -2.764 1.00 0.00 C ATOM 864 CG2 VAL A 52 5.466 8.917 -3.459 1.00 0.00 C ATOM 0 H VAL A 52 5.838 8.672 -6.310 1.00 0.00 H new ATOM 0 HA VAL A 52 7.740 10.034 -4.569 1.00 0.00 H new ATOM 0 HB VAL A 52 6.469 7.275 -4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.150 7.357 -2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.549 7.423 -3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.976 8.905 -2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.984 8.302 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.714 9.890 -3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.787 9.051 -4.301 1.00 0.00 H new ATOM 874 N LYS A 53 8.465 7.308 -6.320 1.00 0.00 N ATOM 875 CA LYS A 53 9.566 6.519 -6.882 1.00 0.00 C ATOM 876 C LYS A 53 9.555 6.560 -8.419 1.00 0.00 C ATOM 877 O LYS A 53 9.077 5.584 -9.043 1.00 0.00 O ATOM 878 CB LYS A 53 9.484 5.069 -6.396 1.00 0.00 C ATOM 879 CG LYS A 53 9.943 4.871 -4.959 1.00 0.00 C ATOM 880 CD LYS A 53 11.404 4.449 -4.889 1.00 0.00 C ATOM 881 CE LYS A 53 11.771 3.952 -3.500 1.00 0.00 C ATOM 882 NZ LYS A 53 13.127 3.341 -3.460 1.00 0.00 N ATOM 883 OXT LYS A 53 10.016 7.572 -8.995 1.00 0.00 O ATOM 0 H LYS A 53 7.536 6.989 -6.596 1.00 0.00 H new ATOM 0 HA LYS A 53 10.502 6.960 -6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.454 4.723 -6.489 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.091 4.443 -7.050 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.804 5.797 -4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.322 4.114 -4.479 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.593 3.663 -5.620 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.041 5.292 -5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.728 4.783 -2.796 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.034 3.218 -3.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.333 3.017 -2.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.162 2.531 -4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.835 4.047 -3.747 1.00 0.00 H new TER 897 LYS A 53