USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 482 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 47 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 THR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN :FLIP amide:sc= 1.13 F(o=0,f=1.1) USER MOD Single : A 17 THR OG1 : rot 71:sc= 0.921 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -73:sc= 0.103 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 158:sc= 0.0423 (180deg=0.00337) USER MOD Single : A 38 MET CE :methyl 162:sc= 0 (180deg=-0.512) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.068) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.548) USER MOD Single : A 57 SER OG : rot 28:sc= 0.577 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -24.205 -8.203 -5.198 1.00 0.00 N ATOM 2 CA THR A 1 -23.755 -7.369 -6.340 1.00 0.00 C ATOM 3 C THR A 1 -24.921 -7.292 -7.386 1.00 0.00 C ATOM 4 O THR A 1 -25.406 -8.361 -7.781 1.00 0.00 O ATOM 5 CB THR A 1 -22.431 -7.964 -6.934 1.00 0.00 C ATOM 6 OG1 THR A 1 -21.385 -7.824 -5.976 1.00 0.00 O ATOM 7 CG2 THR A 1 -21.903 -7.386 -8.271 1.00 0.00 C ATOM 0 H1 THR A 1 -23.443 -8.266 -4.493 1.00 0.00 H new ATOM 0 H2 THR A 1 -25.045 -7.772 -4.763 1.00 0.00 H new ATOM 0 H3 THR A 1 -24.442 -9.157 -5.537 1.00 0.00 H new ATOM 0 HA THR A 1 -23.524 -6.351 -6.025 1.00 0.00 H new ATOM 0 HB THR A 1 -22.710 -8.993 -7.161 1.00 0.00 H new ATOM 0 HG1 THR A 1 -20.555 -8.196 -6.341 1.00 0.00 H new ATOM 0 HG21 THR A 1 -20.983 -7.898 -8.551 1.00 0.00 H new ATOM 0 HG22 THR A 1 -22.651 -7.532 -9.051 1.00 0.00 H new ATOM 0 HG23 THR A 1 -21.704 -6.321 -8.154 1.00 0.00 H new ATOM 17 N PRO A 2 -25.382 -6.110 -7.906 1.00 0.00 N ATOM 18 CA PRO A 2 -26.497 -6.041 -8.890 1.00 0.00 C ATOM 19 C PRO A 2 -26.054 -6.461 -10.326 1.00 0.00 C ATOM 20 O PRO A 2 -25.077 -5.935 -10.870 1.00 0.00 O ATOM 21 CB PRO A 2 -26.914 -4.549 -8.805 1.00 0.00 C ATOM 22 CG PRO A 2 -25.635 -3.802 -8.425 1.00 0.00 C ATOM 23 CD PRO A 2 -24.890 -4.772 -7.506 1.00 0.00 C ATOM 0 HA PRO A 2 -27.312 -6.731 -8.672 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -27.310 -4.195 -9.757 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -27.695 -4.399 -8.059 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -25.043 -3.554 -9.306 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -25.858 -2.864 -7.916 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -23.811 -4.691 -7.634 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -25.103 -4.568 -6.457 1.00 0.00 H new ATOM 31 N ASP A 3 -26.794 -7.416 -10.920 1.00 0.00 N ATOM 32 CA ASP A 3 -26.462 -8.011 -12.236 1.00 0.00 C ATOM 33 C ASP A 3 -26.735 -7.042 -13.418 1.00 0.00 C ATOM 34 O ASP A 3 -25.775 -6.496 -13.974 1.00 0.00 O ATOM 35 CB ASP A 3 -27.114 -9.421 -12.335 1.00 0.00 C ATOM 36 CG ASP A 3 -26.657 -10.256 -13.539 1.00 0.00 C ATOM 37 OD1 ASP A 3 -25.595 -10.913 -13.453 1.00 0.00 O ATOM 38 OD2 ASP A 3 -27.355 -10.256 -14.577 1.00 0.00 O ATOM 0 H ASP A 3 -27.642 -7.800 -10.503 1.00 0.00 H new ATOM 0 HA ASP A 3 -25.387 -8.168 -12.319 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -26.893 -9.974 -11.422 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -28.197 -9.303 -12.382 1.00 0.00 H new ATOM 43 N VAL A 4 -28.008 -6.855 -13.814 1.00 0.00 N ATOM 44 CA VAL A 4 -28.358 -6.106 -15.051 1.00 0.00 C ATOM 45 C VAL A 4 -29.726 -5.388 -14.862 1.00 0.00 C ATOM 46 O VAL A 4 -29.764 -4.161 -14.732 1.00 0.00 O ATOM 47 CB VAL A 4 -28.144 -6.995 -16.337 1.00 0.00 C ATOM 48 CG1 VAL A 4 -29.204 -8.070 -16.678 1.00 0.00 C ATOM 49 CG2 VAL A 4 -27.841 -6.134 -17.578 1.00 0.00 C ATOM 0 H VAL A 4 -28.815 -7.209 -13.301 1.00 0.00 H new ATOM 0 HA VAL A 4 -27.668 -5.283 -15.238 1.00 0.00 H new ATOM 0 HB VAL A 4 -27.278 -7.589 -16.044 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -28.912 -8.593 -17.588 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -29.276 -8.783 -15.857 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -30.172 -7.592 -16.829 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -27.700 -6.781 -18.444 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -28.675 -5.457 -17.763 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -26.934 -5.554 -17.406 1.00 0.00 H new ATOM 59 N SER A 5 -30.831 -6.159 -14.859 1.00 0.00 N ATOM 60 CA SER A 5 -32.235 -5.639 -14.880 1.00 0.00 C ATOM 61 C SER A 5 -32.543 -4.608 -16.018 1.00 0.00 C ATOM 62 O SER A 5 -33.016 -3.495 -15.762 1.00 0.00 O ATOM 63 CB SER A 5 -32.683 -5.174 -13.469 1.00 0.00 C ATOM 64 OG SER A 5 -32.593 -6.229 -12.516 1.00 0.00 O ATOM 0 H SER A 5 -30.785 -7.178 -14.842 1.00 0.00 H new ATOM 0 HA SER A 5 -32.863 -6.487 -15.153 1.00 0.00 H new ATOM 0 HB2 SER A 5 -32.062 -4.338 -13.147 1.00 0.00 H new ATOM 0 HB3 SER A 5 -33.710 -4.810 -13.514 1.00 0.00 H new ATOM 0 HG SER A 5 -32.881 -5.902 -11.638 1.00 0.00 H new ATOM 70 N SER A 6 -32.229 -4.986 -17.278 1.00 0.00 N ATOM 71 CA SER A 6 -32.229 -4.072 -18.458 1.00 0.00 C ATOM 72 C SER A 6 -31.344 -2.791 -18.277 1.00 0.00 C ATOM 73 O SER A 6 -31.865 -1.674 -18.213 1.00 0.00 O ATOM 74 CB SER A 6 -33.660 -3.775 -18.980 1.00 0.00 C ATOM 75 OG SER A 6 -34.340 -4.970 -19.345 1.00 0.00 O ATOM 0 H SER A 6 -31.965 -5.943 -17.513 1.00 0.00 H new ATOM 0 HA SER A 6 -31.730 -4.625 -19.253 1.00 0.00 H new ATOM 0 HB2 SER A 6 -34.228 -3.252 -18.210 1.00 0.00 H new ATOM 0 HB3 SER A 6 -33.603 -3.110 -19.841 1.00 0.00 H new ATOM 0 HG SER A 6 -35.239 -4.749 -19.668 1.00 0.00 H new ATOM 81 N ALA A 7 -30.009 -2.966 -18.186 1.00 0.00 N ATOM 82 CA ALA A 7 -29.039 -1.838 -18.142 1.00 0.00 C ATOM 83 C ALA A 7 -28.555 -1.454 -19.570 1.00 0.00 C ATOM 84 O ALA A 7 -28.805 -0.325 -20.002 1.00 0.00 O ATOM 85 CB ALA A 7 -27.885 -2.175 -17.177 1.00 0.00 C ATOM 0 H ALA A 7 -29.569 -3.885 -18.141 1.00 0.00 H new ATOM 0 HA ALA A 7 -29.535 -0.950 -17.751 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -27.179 -1.345 -17.150 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -28.285 -2.344 -16.177 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -27.374 -3.075 -17.521 1.00 0.00 H new ATOM 91 N LEU A 8 -27.913 -2.388 -20.309 1.00 0.00 N ATOM 92 CA LEU A 8 -27.598 -2.210 -21.755 1.00 0.00 C ATOM 93 C LEU A 8 -28.838 -2.303 -22.700 1.00 0.00 C ATOM 94 O LEU A 8 -28.904 -1.543 -23.665 1.00 0.00 O ATOM 95 CB LEU A 8 -26.432 -3.172 -22.143 1.00 0.00 C ATOM 96 CG LEU A 8 -25.559 -2.880 -23.400 1.00 0.00 C ATOM 97 CD1 LEU A 8 -26.240 -3.184 -24.749 1.00 0.00 C ATOM 98 CD2 LEU A 8 -24.923 -1.474 -23.405 1.00 0.00 C ATOM 0 H LEU A 8 -27.599 -3.281 -19.929 1.00 0.00 H new ATOM 0 HA LEU A 8 -27.265 -1.183 -21.905 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -25.759 -3.225 -21.287 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -26.862 -4.165 -22.272 1.00 0.00 H new ATOM 0 HG LEU A 8 -24.749 -3.603 -23.302 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -25.555 -2.949 -25.564 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -26.507 -4.240 -24.792 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -27.141 -2.578 -24.847 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -24.331 -1.346 -24.311 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -25.709 -0.719 -23.375 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -24.280 -1.363 -22.532 1.00 0.00 H new ATOM 110 N ASP A 9 -29.829 -3.175 -22.429 1.00 0.00 N ATOM 111 CA ASP A 9 -31.110 -3.226 -23.198 1.00 0.00 C ATOM 112 C ASP A 9 -31.952 -1.907 -23.174 1.00 0.00 C ATOM 113 O ASP A 9 -32.369 -1.449 -24.242 1.00 0.00 O ATOM 114 CB ASP A 9 -31.915 -4.470 -22.729 1.00 0.00 C ATOM 115 CG ASP A 9 -33.110 -4.846 -23.618 1.00 0.00 C ATOM 116 OD1 ASP A 9 -32.906 -5.506 -24.660 1.00 0.00 O ATOM 117 OD2 ASP A 9 -34.255 -4.479 -23.275 1.00 0.00 O ATOM 0 H ASP A 9 -29.775 -3.864 -21.678 1.00 0.00 H new ATOM 0 HA ASP A 9 -30.857 -3.323 -24.254 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -31.238 -5.323 -22.677 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -32.278 -4.289 -21.717 1.00 0.00 H new ATOM 122 N LYS A 10 -32.169 -1.292 -21.991 1.00 0.00 N ATOM 123 CA LYS A 10 -32.804 0.051 -21.875 1.00 0.00 C ATOM 124 C LYS A 10 -31.906 1.190 -22.460 1.00 0.00 C ATOM 125 O LYS A 10 -32.326 1.853 -23.413 1.00 0.00 O ATOM 126 CB LYS A 10 -33.216 0.271 -20.393 1.00 0.00 C ATOM 127 CG LYS A 10 -34.142 1.482 -20.133 1.00 0.00 C ATOM 128 CD LYS A 10 -34.448 1.742 -18.642 1.00 0.00 C ATOM 129 CE LYS A 10 -35.303 0.657 -17.956 1.00 0.00 C ATOM 130 NZ LYS A 10 -35.597 1.007 -16.555 1.00 0.00 N ATOM 0 H LYS A 10 -31.914 -1.703 -21.093 1.00 0.00 H new ATOM 0 HA LYS A 10 -33.704 0.089 -22.489 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -33.715 -0.630 -20.035 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -32.312 0.392 -19.797 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -33.681 2.374 -20.558 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -35.082 1.326 -20.662 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -33.505 1.835 -18.103 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -34.962 2.699 -18.553 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -36.237 0.528 -18.503 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -34.778 -0.298 -17.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -36.173 0.257 -16.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -34.706 1.106 -16.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -36.119 1.906 -16.524 1.00 0.00 H new ATOM 144 N LEU A 11 -30.687 1.387 -21.916 1.00 0.00 N ATOM 145 CA LEU A 11 -29.708 2.378 -22.426 1.00 0.00 C ATOM 146 C LEU A 11 -28.701 1.653 -23.372 1.00 0.00 C ATOM 147 O LEU A 11 -27.602 1.277 -22.951 1.00 0.00 O ATOM 148 CB LEU A 11 -29.010 3.089 -21.225 1.00 0.00 C ATOM 149 CG LEU A 11 -29.902 3.990 -20.321 1.00 0.00 C ATOM 150 CD1 LEU A 11 -29.186 4.327 -19.000 1.00 0.00 C ATOM 151 CD2 LEU A 11 -30.355 5.287 -21.024 1.00 0.00 C ATOM 0 H LEU A 11 -30.350 0.863 -21.108 1.00 0.00 H new ATOM 0 HA LEU A 11 -30.204 3.155 -23.008 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -28.555 2.324 -20.596 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -28.199 3.702 -21.619 1.00 0.00 H new ATOM 0 HG LEU A 11 -30.800 3.410 -20.106 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -29.831 4.957 -18.387 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -28.962 3.406 -18.462 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -28.258 4.857 -19.214 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -30.973 5.873 -20.344 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -29.480 5.870 -21.312 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -30.932 5.036 -21.914 1.00 0.00 H new ATOM 163 N LYS A 12 -29.084 1.445 -24.652 1.00 0.00 N ATOM 164 CA LYS A 12 -28.214 0.778 -25.665 1.00 0.00 C ATOM 165 C LYS A 12 -27.099 1.696 -26.236 1.00 0.00 C ATOM 166 O LYS A 12 -25.923 1.389 -26.035 1.00 0.00 O ATOM 167 CB LYS A 12 -29.058 0.001 -26.716 1.00 0.00 C ATOM 168 CG LYS A 12 -30.050 0.802 -27.592 1.00 0.00 C ATOM 169 CD LYS A 12 -30.898 -0.099 -28.514 1.00 0.00 C ATOM 170 CE LYS A 12 -31.922 0.654 -29.386 1.00 0.00 C ATOM 171 NZ LYS A 12 -31.300 1.459 -30.457 1.00 0.00 N ATOM 0 H LYS A 12 -29.994 1.729 -25.016 1.00 0.00 H new ATOM 0 HA LYS A 12 -27.635 0.013 -25.147 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -28.367 -0.515 -27.382 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -29.624 -0.766 -26.188 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -30.712 1.379 -26.947 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -29.495 1.516 -28.200 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -30.229 -0.660 -29.166 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -31.429 -0.826 -27.900 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -32.606 -0.066 -29.834 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -32.519 1.308 -28.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -32.042 1.939 -31.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -30.667 2.169 -30.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -30.752 0.837 -31.085 1.00 0.00 H new ATOM 185 N GLU A 13 -27.444 2.819 -26.897 1.00 0.00 N ATOM 186 CA GLU A 13 -26.445 3.811 -27.392 1.00 0.00 C ATOM 187 C GLU A 13 -25.722 4.638 -26.283 1.00 0.00 C ATOM 188 O GLU A 13 -24.508 4.823 -26.391 1.00 0.00 O ATOM 189 CB GLU A 13 -27.049 4.687 -28.523 1.00 0.00 C ATOM 190 CG GLU A 13 -28.231 5.615 -28.150 1.00 0.00 C ATOM 191 CD GLU A 13 -28.777 6.387 -29.354 1.00 0.00 C ATOM 192 OE1 GLU A 13 -29.692 5.874 -30.036 1.00 0.00 O ATOM 193 OE2 GLU A 13 -28.295 7.509 -29.622 1.00 0.00 O ATOM 0 H GLU A 13 -28.410 3.070 -27.106 1.00 0.00 H new ATOM 0 HA GLU A 13 -25.632 3.225 -27.821 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -26.251 5.306 -28.933 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -27.380 4.024 -29.322 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -29.032 5.019 -27.712 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -27.906 6.322 -27.387 1.00 0.00 H new ATOM 200 N PHE A 14 -26.428 5.089 -25.220 1.00 0.00 N ATOM 201 CA PHE A 14 -25.789 5.702 -24.021 1.00 0.00 C ATOM 202 C PHE A 14 -24.889 4.714 -23.206 1.00 0.00 C ATOM 203 O PHE A 14 -23.767 5.104 -22.873 1.00 0.00 O ATOM 204 CB PHE A 14 -26.866 6.425 -23.160 1.00 0.00 C ATOM 205 CG PHE A 14 -26.314 7.232 -21.967 1.00 0.00 C ATOM 206 CD1 PHE A 14 -25.843 8.538 -22.148 1.00 0.00 C ATOM 207 CD2 PHE A 14 -26.228 6.642 -20.699 1.00 0.00 C ATOM 208 CE1 PHE A 14 -25.292 9.240 -21.078 1.00 0.00 C ATOM 209 CE2 PHE A 14 -25.677 7.346 -19.632 1.00 0.00 C ATOM 210 CZ PHE A 14 -25.209 8.644 -19.822 1.00 0.00 C ATOM 0 H PHE A 14 -27.445 5.042 -25.164 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.080 6.453 -24.371 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -27.432 7.098 -23.804 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -27.567 5.681 -22.782 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -25.907 9.003 -23.121 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -26.591 5.636 -20.549 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -24.929 10.247 -21.223 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -25.612 6.886 -18.657 1.00 0.00 H new ATOM 0 HZ PHE A 14 -24.781 9.189 -18.994 1.00 0.00 H new ATOM 220 N GLY A 15 -25.340 3.474 -22.909 1.00 0.00 N ATOM 221 CA GLY A 15 -24.473 2.423 -22.294 1.00 0.00 C ATOM 222 C GLY A 15 -23.173 2.053 -23.054 1.00 0.00 C ATOM 223 O GLY A 15 -22.108 1.988 -22.437 1.00 0.00 O ATOM 0 H GLY A 15 -26.298 3.169 -23.082 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -24.198 2.753 -21.292 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -25.068 1.517 -22.179 1.00 0.00 H new ATOM 227 N ASN A 16 -23.261 1.874 -24.385 1.00 0.00 N ATOM 228 CA ASN A 16 -22.080 1.816 -25.296 1.00 0.00 C ATOM 229 C ASN A 16 -21.120 3.054 -25.282 1.00 0.00 C ATOM 230 O ASN A 16 -19.910 2.848 -25.398 1.00 0.00 O ATOM 231 CB ASN A 16 -22.575 1.512 -26.743 1.00 0.00 C ATOM 232 CG ASN A 16 -22.855 0.020 -27.028 1.00 0.00 C ATOM 233 OD1 ASN A 16 -21.852 -0.726 -27.468 1.00 0.00 O flip ATOM 234 ND2 ASN A 16 -23.968 -0.474 -26.856 1.00 0.00 N flip ATOM 0 H ASN A 16 -24.152 1.764 -24.870 1.00 0.00 H new ATOM 0 HA ASN A 16 -21.453 1.014 -24.906 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -23.486 2.081 -26.928 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -21.827 1.869 -27.451 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -24.736 0.105 -26.517 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -24.123 -1.463 -27.052 1.00 0.00 H new ATOM 241 N THR A 17 -21.625 4.301 -25.130 1.00 0.00 N ATOM 242 CA THR A 17 -20.785 5.536 -25.059 1.00 0.00 C ATOM 243 C THR A 17 -19.829 5.553 -23.821 1.00 0.00 C ATOM 244 O THR A 17 -18.613 5.599 -24.028 1.00 0.00 O ATOM 245 CB THR A 17 -21.673 6.814 -25.189 1.00 0.00 C ATOM 246 OG1 THR A 17 -22.428 6.766 -26.397 1.00 0.00 O ATOM 247 CG2 THR A 17 -20.895 8.144 -25.219 1.00 0.00 C ATOM 0 H THR A 17 -22.625 4.487 -25.052 1.00 0.00 H new ATOM 0 HA THR A 17 -20.111 5.532 -25.916 1.00 0.00 H new ATOM 0 HB THR A 17 -22.294 6.801 -24.293 1.00 0.00 H new ATOM 0 HG1 THR A 17 -23.121 6.077 -26.323 1.00 0.00 H new ATOM 0 HG21 THR A 17 -21.596 8.974 -25.311 1.00 0.00 H new ATOM 0 HG22 THR A 17 -20.324 8.252 -24.297 1.00 0.00 H new ATOM 0 HG23 THR A 17 -20.214 8.148 -26.070 1.00 0.00 H new ATOM 255 N LEU A 18 -20.346 5.489 -22.570 1.00 0.00 N ATOM 256 CA LEU A 18 -19.480 5.368 -21.351 1.00 0.00 C ATOM 257 C LEU A 18 -18.828 3.982 -21.024 1.00 0.00 C ATOM 258 O LEU A 18 -18.087 3.873 -20.043 1.00 0.00 O ATOM 259 CB LEU A 18 -20.144 6.060 -20.122 1.00 0.00 C ATOM 260 CG LEU A 18 -21.188 5.274 -19.275 1.00 0.00 C ATOM 261 CD1 LEU A 18 -21.524 6.044 -17.981 1.00 0.00 C ATOM 262 CD2 LEU A 18 -22.488 4.954 -20.032 1.00 0.00 C ATOM 0 H LEU A 18 -21.346 5.518 -22.370 1.00 0.00 H new ATOM 0 HA LEU A 18 -18.583 5.919 -21.633 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.344 6.371 -19.450 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -20.630 6.968 -20.480 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.717 4.320 -19.038 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -22.255 5.480 -17.401 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -20.617 6.177 -17.391 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -21.937 7.020 -18.235 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -23.165 4.406 -19.377 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -22.963 5.883 -20.349 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -22.259 4.346 -20.907 1.00 0.00 H new ATOM 274 N GLU A 19 -19.040 2.965 -21.876 1.00 0.00 N ATOM 275 CA GLU A 19 -18.216 1.729 -21.912 1.00 0.00 C ATOM 276 C GLU A 19 -16.837 1.974 -22.598 1.00 0.00 C ATOM 277 O GLU A 19 -15.810 1.734 -21.958 1.00 0.00 O ATOM 278 CB GLU A 19 -19.034 0.562 -22.527 1.00 0.00 C ATOM 279 CG GLU A 19 -18.362 -0.832 -22.552 1.00 0.00 C ATOM 280 CD GLU A 19 -18.089 -1.431 -21.168 1.00 0.00 C ATOM 281 OE1 GLU A 19 -18.975 -2.127 -20.624 1.00 0.00 O ATOM 282 OE2 GLU A 19 -16.988 -1.206 -20.617 1.00 0.00 O ATOM 0 H GLU A 19 -19.791 2.970 -22.566 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.968 1.431 -20.893 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.970 0.477 -21.975 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -19.292 0.832 -23.551 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.998 -1.518 -23.112 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.419 -0.757 -23.094 1.00 0.00 H new ATOM 289 N ASP A 20 -16.810 2.472 -23.857 1.00 0.00 N ATOM 290 CA ASP A 20 -15.551 2.890 -24.542 1.00 0.00 C ATOM 291 C ASP A 20 -14.727 4.012 -23.838 1.00 0.00 C ATOM 292 O ASP A 20 -13.505 3.877 -23.728 1.00 0.00 O ATOM 293 CB ASP A 20 -15.798 3.174 -26.050 1.00 0.00 C ATOM 294 CG ASP A 20 -16.631 4.412 -26.439 1.00 0.00 C ATOM 295 OD1 ASP A 20 -16.082 5.537 -26.440 1.00 0.00 O ATOM 296 OD2 ASP A 20 -17.830 4.260 -26.758 1.00 0.00 O ATOM 0 H ASP A 20 -17.647 2.597 -24.426 1.00 0.00 H new ATOM 0 HA ASP A 20 -14.892 2.026 -24.458 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.825 3.263 -26.534 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -16.287 2.298 -26.476 1.00 0.00 H new ATOM 301 N LYS A 21 -15.390 5.074 -23.336 1.00 0.00 N ATOM 302 CA LYS A 21 -14.755 6.129 -22.509 1.00 0.00 C ATOM 303 C LYS A 21 -14.076 5.616 -21.202 1.00 0.00 C ATOM 304 O LYS A 21 -12.895 5.905 -21.010 1.00 0.00 O ATOM 305 CB LYS A 21 -15.801 7.250 -22.240 1.00 0.00 C ATOM 306 CG LYS A 21 -15.219 8.601 -21.765 1.00 0.00 C ATOM 307 CD LYS A 21 -14.386 9.364 -22.815 1.00 0.00 C ATOM 308 CE LYS A 21 -15.219 10.029 -23.926 1.00 0.00 C ATOM 309 NZ LYS A 21 -14.364 10.762 -24.876 1.00 0.00 N ATOM 0 H LYS A 21 -16.386 5.228 -23.492 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.918 6.532 -23.080 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.369 7.420 -23.155 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.506 6.893 -21.489 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.042 9.240 -21.444 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.594 8.421 -20.890 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.800 10.131 -22.309 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.679 8.672 -23.273 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.789 9.268 -24.460 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.941 10.714 -23.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.956 11.198 -25.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.839 11.503 -24.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.692 10.103 -25.318 1.00 0.00 H new ATOM 323 N ALA A 22 -14.782 4.844 -20.347 1.00 0.00 N ATOM 324 CA ALA A 22 -14.186 4.200 -19.142 1.00 0.00 C ATOM 325 C ALA A 22 -12.967 3.263 -19.399 1.00 0.00 C ATOM 326 O ALA A 22 -11.938 3.433 -18.743 1.00 0.00 O ATOM 327 CB ALA A 22 -15.297 3.459 -18.379 1.00 0.00 C ATOM 0 H ALA A 22 -15.776 4.647 -20.466 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.763 5.010 -18.548 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.875 2.982 -17.494 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -16.067 4.169 -18.077 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -15.738 2.699 -19.025 1.00 0.00 H new ATOM 333 N ARG A 23 -13.065 2.337 -20.374 1.00 0.00 N ATOM 334 CA ARG A 23 -11.923 1.518 -20.884 1.00 0.00 C ATOM 335 C ARG A 23 -10.676 2.326 -21.377 1.00 0.00 C ATOM 336 O ARG A 23 -9.552 1.957 -21.030 1.00 0.00 O ATOM 337 CB ARG A 23 -12.439 0.579 -22.011 1.00 0.00 C ATOM 338 CG ARG A 23 -13.389 -0.559 -21.556 1.00 0.00 C ATOM 339 CD ARG A 23 -14.145 -1.265 -22.699 1.00 0.00 C ATOM 340 NE ARG A 23 -13.256 -2.038 -23.602 1.00 0.00 N ATOM 341 CZ ARG A 23 -13.668 -2.650 -24.731 1.00 0.00 C ATOM 342 NH1 ARG A 23 -14.926 -2.638 -25.168 1.00 0.00 N ATOM 343 NH2 ARG A 23 -12.769 -3.300 -25.446 1.00 0.00 N ATOM 0 H ARG A 23 -13.947 2.127 -20.842 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.556 0.953 -20.027 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.957 1.185 -22.754 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -11.578 0.132 -22.508 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.808 -1.302 -21.010 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.117 -0.148 -20.857 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.890 -1.936 -22.272 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.685 -0.520 -23.283 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.270 -2.111 -23.353 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.645 -2.145 -24.639 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.170 -3.122 -26.032 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.797 -3.328 -25.139 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.047 -3.774 -26.305 1.00 0.00 H new ATOM 357 N GLU A 24 -10.872 3.426 -22.140 1.00 0.00 N ATOM 358 CA GLU A 24 -9.791 4.394 -22.484 1.00 0.00 C ATOM 359 C GLU A 24 -9.159 5.158 -21.274 1.00 0.00 C ATOM 360 O GLU A 24 -7.942 5.367 -21.288 1.00 0.00 O ATOM 361 CB GLU A 24 -10.329 5.361 -23.583 1.00 0.00 C ATOM 362 CG GLU A 24 -9.305 6.321 -24.234 1.00 0.00 C ATOM 363 CD GLU A 24 -8.159 5.626 -24.979 1.00 0.00 C ATOM 364 OE1 GLU A 24 -8.333 5.277 -26.167 1.00 0.00 O ATOM 365 OE2 GLU A 24 -7.082 5.424 -24.377 1.00 0.00 O ATOM 0 H GLU A 24 -11.779 3.672 -22.536 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.950 3.814 -22.862 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.780 4.760 -24.373 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.126 5.962 -23.145 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.831 6.973 -24.931 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.882 6.959 -23.458 1.00 0.00 H new ATOM 372 N LEU A 25 -9.940 5.538 -20.237 1.00 0.00 N ATOM 373 CA LEU A 25 -9.392 6.070 -18.954 1.00 0.00 C ATOM 374 C LEU A 25 -8.466 5.075 -18.175 1.00 0.00 C ATOM 375 O LEU A 25 -7.448 5.518 -17.641 1.00 0.00 O ATOM 376 CB LEU A 25 -10.519 6.614 -18.029 1.00 0.00 C ATOM 377 CG LEU A 25 -11.390 7.793 -18.560 1.00 0.00 C ATOM 378 CD1 LEU A 25 -12.570 8.068 -17.608 1.00 0.00 C ATOM 379 CD2 LEU A 25 -10.599 9.093 -18.805 1.00 0.00 C ATOM 0 H LEU A 25 -10.959 5.488 -20.258 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.748 6.897 -19.253 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.186 5.785 -17.791 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.060 6.932 -17.093 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.762 7.470 -19.532 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -13.166 8.894 -17.996 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.192 7.176 -17.533 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.188 8.329 -16.621 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.274 9.866 -19.173 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.144 9.424 -17.871 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.819 8.910 -19.544 1.00 0.00 H new ATOM 391 N ILE A 26 -8.762 3.755 -18.150 1.00 0.00 N ATOM 392 CA ILE A 26 -7.821 2.710 -17.633 1.00 0.00 C ATOM 393 C ILE A 26 -6.519 2.623 -18.502 1.00 0.00 C ATOM 394 O ILE A 26 -5.431 2.725 -17.931 1.00 0.00 O ATOM 395 CB ILE A 26 -8.505 1.299 -17.448 1.00 0.00 C ATOM 396 CG1 ILE A 26 -9.972 1.253 -16.921 1.00 0.00 C ATOM 397 CG2 ILE A 26 -7.633 0.337 -16.604 1.00 0.00 C ATOM 398 CD1 ILE A 26 -10.279 1.985 -15.605 1.00 0.00 C ATOM 0 H ILE A 26 -9.649 3.377 -18.482 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.526 3.031 -16.634 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.580 0.970 -18.484 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.620 1.666 -17.694 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.252 0.207 -16.797 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.142 -0.621 -16.502 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.673 0.187 -17.099 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.469 0.767 -15.616 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.335 1.868 -15.362 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.673 1.562 -14.804 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.047 3.044 -15.715 1.00 0.00 H new ATOM 410 N SER A 27 -6.624 2.479 -19.847 1.00 0.00 N ATOM 411 CA SER A 27 -5.460 2.537 -20.778 1.00 0.00 C ATOM 412 C SER A 27 -5.001 3.989 -21.157 1.00 0.00 C ATOM 413 O SER A 27 -4.940 4.373 -22.328 1.00 0.00 O ATOM 414 CB SER A 27 -5.781 1.643 -22.000 1.00 0.00 C ATOM 415 OG SER A 27 -6.876 2.144 -22.764 1.00 0.00 O ATOM 0 H SER A 27 -7.514 2.320 -20.319 1.00 0.00 H new ATOM 0 HA SER A 27 -4.582 2.147 -20.264 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.899 1.571 -22.637 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.011 0.634 -21.659 1.00 0.00 H new ATOM 0 HG SER A 27 -7.711 1.998 -22.273 1.00 0.00 H new ATOM 421 N ARG A 28 -4.643 4.763 -20.119 1.00 0.00 N ATOM 422 CA ARG A 28 -4.040 6.126 -20.201 1.00 0.00 C ATOM 423 C ARG A 28 -3.479 6.536 -18.797 1.00 0.00 C ATOM 424 O ARG A 28 -2.362 7.051 -18.730 1.00 0.00 O ATOM 425 CB ARG A 28 -4.880 7.227 -20.923 1.00 0.00 C ATOM 426 CG ARG A 28 -6.069 7.895 -20.190 1.00 0.00 C ATOM 427 CD ARG A 28 -5.698 9.213 -19.485 1.00 0.00 C ATOM 428 NE ARG A 28 -6.869 9.812 -18.801 1.00 0.00 N ATOM 429 CZ ARG A 28 -6.813 10.919 -18.034 1.00 0.00 C ATOM 430 NH1 ARG A 28 -5.697 11.608 -17.798 1.00 0.00 N ATOM 431 NH2 ARG A 28 -7.931 11.349 -17.479 1.00 0.00 N ATOM 0 H ARG A 28 -4.766 4.454 -19.155 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.206 6.049 -20.899 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.192 8.020 -21.216 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.270 6.788 -21.841 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.865 8.089 -20.909 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.468 7.198 -19.453 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.907 9.028 -18.759 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.302 9.918 -20.215 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.775 9.358 -18.918 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.814 11.305 -18.209 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.726 12.439 -17.207 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.805 10.846 -17.636 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.921 12.184 -16.893 1.00 0.00 H new ATOM 445 N ILE A 29 -4.200 6.260 -17.678 1.00 0.00 N ATOM 446 CA ILE A 29 -3.637 6.148 -16.302 1.00 0.00 C ATOM 447 C ILE A 29 -2.401 5.192 -16.221 1.00 0.00 C ATOM 448 O ILE A 29 -1.321 5.661 -15.855 1.00 0.00 O ATOM 449 CB ILE A 29 -4.835 5.845 -15.313 1.00 0.00 C ATOM 450 CG1 ILE A 29 -5.518 7.134 -14.772 1.00 0.00 C ATOM 451 CG2 ILE A 29 -4.497 4.960 -14.082 1.00 0.00 C ATOM 452 CD1 ILE A 29 -6.136 8.086 -15.800 1.00 0.00 C ATOM 0 H ILE A 29 -5.208 6.106 -17.706 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.191 7.090 -15.983 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.507 5.280 -15.959 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.302 6.834 -14.076 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.778 7.692 -14.198 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.393 4.820 -13.477 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.133 3.990 -14.420 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.728 5.448 -13.483 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.576 8.940 -15.286 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.363 8.434 -16.485 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.910 7.562 -16.362 1.00 0.00 H new ATOM 464 N LYS A 30 -2.546 3.895 -16.577 1.00 0.00 N ATOM 465 CA LYS A 30 -1.407 2.920 -16.561 1.00 0.00 C ATOM 466 C LYS A 30 -0.269 3.046 -17.632 1.00 0.00 C ATOM 467 O LYS A 30 0.668 2.242 -17.638 1.00 0.00 O ATOM 468 CB LYS A 30 -1.995 1.488 -16.478 1.00 0.00 C ATOM 469 CG LYS A 30 -2.620 0.929 -17.780 1.00 0.00 C ATOM 470 CD LYS A 30 -3.592 -0.232 -17.500 1.00 0.00 C ATOM 471 CE LYS A 30 -4.268 -0.848 -18.741 1.00 0.00 C ATOM 472 NZ LYS A 30 -3.332 -1.573 -19.623 1.00 0.00 N ATOM 0 H LYS A 30 -3.432 3.491 -16.879 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.834 3.188 -15.673 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.203 0.810 -16.160 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.757 1.475 -15.699 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.149 1.727 -18.300 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.827 0.586 -18.445 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.049 -1.019 -16.976 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.369 0.124 -16.824 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.052 -1.532 -18.416 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.753 -0.056 -19.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.851 -1.961 -20.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.597 -0.919 -19.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.887 -2.350 -19.094 1.00 0.00 H new ATOM 486 N GLN A 31 -0.359 4.061 -18.499 1.00 0.00 N ATOM 487 CA GLN A 31 0.672 4.411 -19.519 1.00 0.00 C ATOM 488 C GLN A 31 1.319 5.827 -19.369 1.00 0.00 C ATOM 489 O GLN A 31 2.408 6.051 -19.902 1.00 0.00 O ATOM 490 CB GLN A 31 0.105 4.220 -20.948 1.00 0.00 C ATOM 491 CG GLN A 31 -0.188 2.755 -21.348 1.00 0.00 C ATOM 492 CD GLN A 31 -0.768 2.621 -22.763 1.00 0.00 C ATOM 493 OE1 GLN A 31 -0.037 2.601 -23.753 1.00 0.00 O ATOM 494 NE2 GLN A 31 -2.081 2.524 -22.893 1.00 0.00 N ATOM 0 H GLN A 31 -1.165 4.685 -18.522 1.00 0.00 H new ATOM 0 HA GLN A 31 1.491 3.714 -19.337 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.816 4.795 -21.036 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.813 4.640 -21.662 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.733 2.176 -21.283 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.888 2.322 -20.633 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.678 2.542 -22.066 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.496 2.432 -23.820 1.00 0.00 H new ATOM 503 N SER A 32 0.651 6.760 -18.675 1.00 0.00 N ATOM 504 CA SER A 32 1.123 8.147 -18.445 1.00 0.00 C ATOM 505 C SER A 32 0.757 8.536 -16.988 1.00 0.00 C ATOM 506 O SER A 32 -0.379 8.339 -16.544 1.00 0.00 O ATOM 507 CB SER A 32 0.474 9.101 -19.475 1.00 0.00 C ATOM 508 OG SER A 32 1.003 10.416 -19.346 1.00 0.00 O ATOM 0 H SER A 32 -0.255 6.574 -18.245 1.00 0.00 H new ATOM 0 HA SER A 32 2.203 8.222 -18.576 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.652 8.730 -20.484 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.606 9.122 -19.329 1.00 0.00 H new ATOM 0 HG SER A 32 0.582 11.004 -20.007 1.00 0.00 H new ATOM 514 N GLU A 33 1.748 9.078 -16.257 1.00 0.00 N ATOM 515 CA GLU A 33 1.654 9.410 -14.803 1.00 0.00 C ATOM 516 C GLU A 33 1.582 8.263 -13.741 1.00 0.00 C ATOM 517 O GLU A 33 1.942 8.498 -12.585 1.00 0.00 O ATOM 518 CB GLU A 33 0.832 10.689 -14.454 1.00 0.00 C ATOM 519 CG GLU A 33 -0.714 10.675 -14.523 1.00 0.00 C ATOM 520 CD GLU A 33 -1.422 9.691 -13.584 1.00 0.00 C ATOM 521 OE1 GLU A 33 -1.438 9.932 -12.356 1.00 0.00 O ATOM 522 OE2 GLU A 33 -1.961 8.670 -14.067 1.00 0.00 O ATOM 0 H GLU A 33 2.658 9.306 -16.657 1.00 0.00 H new ATOM 0 HA GLU A 33 2.698 9.687 -14.659 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.106 10.980 -13.440 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.176 11.483 -15.117 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.076 11.679 -14.304 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.010 10.446 -15.547 1.00 0.00 H new ATOM 529 N LEU A 34 1.218 7.024 -14.121 1.00 0.00 N ATOM 530 CA LEU A 34 1.829 5.806 -13.524 1.00 0.00 C ATOM 531 C LEU A 34 3.226 5.553 -14.170 1.00 0.00 C ATOM 532 O LEU A 34 4.200 5.338 -13.443 1.00 0.00 O ATOM 533 CB LEU A 34 0.842 4.612 -13.684 1.00 0.00 C ATOM 534 CG LEU A 34 1.187 3.209 -13.097 1.00 0.00 C ATOM 535 CD1 LEU A 34 2.114 2.371 -14.001 1.00 0.00 C ATOM 536 CD2 LEU A 34 1.711 3.238 -11.649 1.00 0.00 C ATOM 0 H LEU A 34 0.511 6.833 -14.831 1.00 0.00 H new ATOM 0 HA LEU A 34 2.002 5.934 -12.456 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.107 4.919 -13.244 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.670 4.479 -14.752 1.00 0.00 H new ATOM 0 HG LEU A 34 0.221 2.706 -13.067 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.310 1.409 -13.528 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.633 2.210 -14.966 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.055 2.901 -14.149 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.926 2.222 -11.319 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.622 3.835 -11.604 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.956 3.678 -10.998 1.00 0.00 H new ATOM 548 N SER A 35 3.305 5.597 -15.518 1.00 0.00 N ATOM 549 CA SER A 35 4.578 5.538 -16.258 1.00 0.00 C ATOM 550 C SER A 35 4.918 6.920 -16.883 1.00 0.00 C ATOM 551 O SER A 35 4.738 7.198 -18.072 1.00 0.00 O ATOM 552 CB SER A 35 4.472 4.456 -17.331 1.00 0.00 C ATOM 553 OG SER A 35 4.348 3.151 -16.775 1.00 0.00 O ATOM 0 H SER A 35 2.486 5.674 -16.121 1.00 0.00 H new ATOM 0 HA SER A 35 5.389 5.287 -15.574 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.610 4.661 -17.966 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.355 4.494 -17.970 1.00 0.00 H new ATOM 0 HG SER A 35 4.282 2.492 -17.498 1.00 0.00 H new ATOM 559 N ALA A 36 5.499 7.755 -16.031 1.00 0.00 N ATOM 560 CA ALA A 36 6.640 8.630 -16.412 1.00 0.00 C ATOM 561 C ALA A 36 7.968 8.237 -15.685 1.00 0.00 C ATOM 562 O ALA A 36 9.045 8.557 -16.191 1.00 0.00 O ATOM 563 CB ALA A 36 6.269 10.093 -16.136 1.00 0.00 C ATOM 0 H ALA A 36 5.207 7.857 -15.059 1.00 0.00 H new ATOM 0 HA ALA A 36 6.829 8.495 -17.477 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.102 10.738 -16.414 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.390 10.362 -16.722 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.050 10.219 -15.076 1.00 0.00 H new ATOM 569 N LYS A 37 7.904 7.515 -14.544 1.00 0.00 N ATOM 570 CA LYS A 37 9.073 6.820 -13.931 1.00 0.00 C ATOM 571 C LYS A 37 9.649 5.625 -14.770 1.00 0.00 C ATOM 572 O LYS A 37 10.831 5.306 -14.620 1.00 0.00 O ATOM 573 CB LYS A 37 8.700 6.328 -12.501 1.00 0.00 C ATOM 574 CG LYS A 37 8.593 7.389 -11.375 1.00 0.00 C ATOM 575 CD LYS A 37 7.464 8.442 -11.453 1.00 0.00 C ATOM 576 CE LYS A 37 6.035 7.865 -11.475 1.00 0.00 C ATOM 577 NZ LYS A 37 5.024 8.934 -11.541 1.00 0.00 N ATOM 0 H LYS A 37 7.040 7.394 -14.016 1.00 0.00 H new ATOM 0 HA LYS A 37 9.870 7.563 -13.898 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.743 5.810 -12.564 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.443 5.590 -12.196 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.485 6.858 -10.429 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.542 7.924 -11.333 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.555 9.114 -10.600 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.610 9.044 -12.350 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.922 7.202 -12.333 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.871 7.262 -10.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.136 8.549 -11.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.857 9.313 -10.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.365 9.696 -12.161 1.00 0.00 H new ATOM 591 N MET A 38 8.835 4.965 -15.617 1.00 0.00 N ATOM 592 CA MET A 38 9.263 3.830 -16.475 1.00 0.00 C ATOM 593 C MET A 38 9.780 4.200 -17.906 1.00 0.00 C ATOM 594 O MET A 38 10.340 3.312 -18.558 1.00 0.00 O ATOM 595 CB MET A 38 8.050 2.860 -16.613 1.00 0.00 C ATOM 596 CG MET A 38 7.471 2.240 -15.322 1.00 0.00 C ATOM 597 SD MET A 38 8.696 1.222 -14.463 1.00 0.00 S ATOM 598 CE MET A 38 9.150 2.267 -13.060 1.00 0.00 C ATOM 0 H MET A 38 7.850 5.204 -15.730 1.00 0.00 H new ATOM 0 HA MET A 38 10.125 3.387 -15.977 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.246 3.399 -17.115 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.347 2.044 -17.272 1.00 0.00 H new ATOM 0 HG2 MET A 38 7.128 3.034 -14.659 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.601 1.632 -15.569 1.00 0.00 H new ATOM 0 HE1 MET A 38 9.634 1.659 -12.295 1.00 0.00 H new ATOM 0 HE2 MET A 38 9.837 3.045 -13.393 1.00 0.00 H new ATOM 0 HE3 MET A 38 8.254 2.727 -12.644 1.00 0.00 H new ATOM 608 N ARG A 39 9.606 5.445 -18.409 1.00 0.00 N ATOM 609 CA ARG A 39 9.982 5.828 -19.803 1.00 0.00 C ATOM 610 C ARG A 39 10.714 7.201 -19.876 1.00 0.00 C ATOM 611 O ARG A 39 11.812 7.266 -20.439 1.00 0.00 O ATOM 612 CB ARG A 39 8.783 5.695 -20.786 1.00 0.00 C ATOM 613 CG ARG A 39 7.497 6.482 -20.444 1.00 0.00 C ATOM 614 CD ARG A 39 6.398 6.336 -21.511 1.00 0.00 C ATOM 615 NE ARG A 39 5.177 7.077 -21.098 1.00 0.00 N ATOM 616 CZ ARG A 39 4.903 8.356 -21.434 1.00 0.00 C ATOM 617 NH1 ARG A 39 5.652 9.090 -22.255 1.00 0.00 N ATOM 618 NH2 ARG A 39 3.831 8.921 -20.914 1.00 0.00 N ATOM 0 H ARG A 39 9.204 6.212 -17.869 1.00 0.00 H new ATOM 0 HA ARG A 39 10.722 5.105 -20.144 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.119 6.011 -21.774 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.523 4.639 -20.860 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.112 6.137 -19.485 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.744 7.537 -20.328 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.757 6.717 -22.467 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.160 5.282 -21.657 1.00 0.00 H new ATOM 0 HE ARG A 39 4.497 6.584 -20.519 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.492 8.690 -22.673 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.385 10.052 -22.466 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.235 8.393 -20.277 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.598 9.886 -21.149 1.00 0.00 H new ATOM 632 N GLU A 40 10.130 8.281 -19.321 1.00 0.00 N ATOM 633 CA GLU A 40 10.763 9.634 -19.270 1.00 0.00 C ATOM 634 C GLU A 40 11.991 9.721 -18.307 1.00 0.00 C ATOM 635 O GLU A 40 13.031 10.253 -18.700 1.00 0.00 O ATOM 636 CB GLU A 40 9.689 10.706 -18.952 1.00 0.00 C ATOM 637 CG GLU A 40 8.640 10.928 -20.070 1.00 0.00 C ATOM 638 CD GLU A 40 7.442 11.763 -19.617 1.00 0.00 C ATOM 639 OE1 GLU A 40 7.563 13.006 -19.539 1.00 0.00 O ATOM 640 OE2 GLU A 40 6.370 11.180 -19.341 1.00 0.00 O ATOM 0 H GLU A 40 9.205 8.250 -18.892 1.00 0.00 H new ATOM 0 HA GLU A 40 11.178 9.833 -20.258 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.169 10.419 -18.038 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.190 11.653 -18.750 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.119 11.421 -20.916 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.286 9.960 -20.424 1.00 0.00 H new ATOM 647 N TRP A 41 11.887 9.152 -17.085 1.00 0.00 N ATOM 648 CA TRP A 41 13.046 8.870 -16.199 1.00 0.00 C ATOM 649 C TRP A 41 14.098 7.880 -16.796 1.00 0.00 C ATOM 650 O TRP A 41 15.281 8.159 -16.623 1.00 0.00 O ATOM 651 CB TRP A 41 12.480 8.416 -14.824 1.00 0.00 C ATOM 652 CG TRP A 41 13.494 8.045 -13.733 1.00 0.00 C ATOM 653 CD1 TRP A 41 13.973 8.898 -12.720 1.00 0.00 C ATOM 654 CD2 TRP A 41 14.126 6.828 -13.525 1.00 0.00 C ATOM 655 NE1 TRP A 41 14.889 8.244 -11.876 1.00 0.00 N ATOM 656 CE2 TRP A 41 14.971 6.961 -12.397 1.00 0.00 C ATOM 657 CE3 TRP A 41 14.077 5.604 -14.247 1.00 0.00 C ATOM 658 CZ2 TRP A 41 15.769 5.871 -11.974 1.00 0.00 C ATOM 659 CZ3 TRP A 41 14.887 4.550 -13.818 1.00 0.00 C ATOM 660 CH2 TRP A 41 15.715 4.678 -12.697 1.00 0.00 C ATOM 0 H TRP A 41 10.993 8.873 -16.681 1.00 0.00 H new ATOM 0 HA TRP A 41 13.630 9.783 -16.083 1.00 0.00 H new ATOM 0 HB2 TRP A 41 11.848 9.216 -14.439 1.00 0.00 H new ATOM 0 HB3 TRP A 41 11.835 7.553 -14.993 1.00 0.00 H new ATOM 0 HD1 TRP A 41 13.673 9.929 -12.605 1.00 0.00 H new ATOM 0 HE1 TRP A 41 15.380 8.625 -11.067 1.00 0.00 H new ATOM 0 HE3 TRP A 41 13.430 5.492 -15.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 16.408 5.961 -11.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 14.874 3.617 -14.362 1.00 0.00 H new ATOM 0 HH2 TRP A 41 16.322 3.840 -12.386 1.00 0.00 H new ATOM 671 N PHE A 42 13.728 6.760 -17.467 1.00 0.00 N ATOM 672 CA PHE A 42 14.722 5.873 -18.165 1.00 0.00 C ATOM 673 C PHE A 42 15.557 6.584 -19.283 1.00 0.00 C ATOM 674 O PHE A 42 16.740 6.277 -19.434 1.00 0.00 O ATOM 675 CB PHE A 42 14.062 4.583 -18.751 1.00 0.00 C ATOM 676 CG PHE A 42 13.943 3.392 -17.783 1.00 0.00 C ATOM 677 CD1 PHE A 42 12.977 3.393 -16.774 1.00 0.00 C ATOM 678 CD2 PHE A 42 14.801 2.292 -17.903 1.00 0.00 C ATOM 679 CE1 PHE A 42 12.894 2.336 -15.875 1.00 0.00 C ATOM 680 CE2 PHE A 42 14.715 1.232 -17.005 1.00 0.00 C ATOM 681 CZ PHE A 42 13.772 1.264 -15.983 1.00 0.00 C ATOM 0 H PHE A 42 12.762 6.443 -17.545 1.00 0.00 H new ATOM 0 HA PHE A 42 15.419 5.596 -17.374 1.00 0.00 H new ATOM 0 HB2 PHE A 42 13.064 4.838 -19.107 1.00 0.00 H new ATOM 0 HB3 PHE A 42 14.639 4.265 -19.619 1.00 0.00 H new ATOM 0 HD1 PHE A 42 12.289 4.222 -16.692 1.00 0.00 H new ATOM 0 HD2 PHE A 42 15.533 2.266 -18.696 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.148 2.348 -15.094 1.00 0.00 H new ATOM 0 HE2 PHE A 42 15.379 0.386 -17.102 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.722 0.453 -15.271 1.00 0.00 H new ATOM 691 N SER A 43 14.944 7.523 -20.029 1.00 0.00 N ATOM 692 CA SER A 43 15.649 8.381 -21.024 1.00 0.00 C ATOM 693 C SER A 43 16.652 9.415 -20.414 1.00 0.00 C ATOM 694 O SER A 43 17.776 9.524 -20.911 1.00 0.00 O ATOM 695 CB SER A 43 14.585 9.054 -21.921 1.00 0.00 C ATOM 696 OG SER A 43 15.193 9.740 -23.009 1.00 0.00 O ATOM 0 H SER A 43 13.944 7.715 -19.965 1.00 0.00 H new ATOM 0 HA SER A 43 16.295 7.734 -21.617 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.896 8.300 -22.302 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.996 9.754 -21.329 1.00 0.00 H new ATOM 0 HG SER A 43 14.499 10.156 -23.562 1.00 0.00 H new ATOM 702 N GLU A 44 16.263 10.149 -19.350 1.00 0.00 N ATOM 703 CA GLU A 44 17.182 11.037 -18.577 1.00 0.00 C ATOM 704 C GLU A 44 18.303 10.278 -17.788 1.00 0.00 C ATOM 705 O GLU A 44 19.477 10.642 -17.892 1.00 0.00 O ATOM 706 CB GLU A 44 16.295 11.945 -17.672 1.00 0.00 C ATOM 707 CG GLU A 44 17.013 13.044 -16.856 1.00 0.00 C ATOM 708 CD GLU A 44 17.698 14.123 -17.701 1.00 0.00 C ATOM 709 OE1 GLU A 44 17.023 15.094 -18.110 1.00 0.00 O ATOM 710 OE2 GLU A 44 18.917 14.003 -17.962 1.00 0.00 O ATOM 0 H GLU A 44 15.306 10.149 -18.996 1.00 0.00 H new ATOM 0 HA GLU A 44 17.758 11.647 -19.273 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.549 12.426 -18.304 1.00 0.00 H new ATOM 0 HB3 GLU A 44 15.756 11.304 -16.975 1.00 0.00 H new ATOM 0 HG2 GLU A 44 16.287 13.523 -16.199 1.00 0.00 H new ATOM 0 HG3 GLU A 44 17.760 12.574 -16.217 1.00 0.00 H new ATOM 717 N THR A 45 17.931 9.237 -17.020 1.00 0.00 N ATOM 718 CA THR A 45 18.866 8.385 -16.222 1.00 0.00 C ATOM 719 C THR A 45 19.516 7.197 -17.036 1.00 0.00 C ATOM 720 O THR A 45 19.939 6.203 -16.442 1.00 0.00 O ATOM 721 CB THR A 45 18.041 7.921 -14.974 1.00 0.00 C ATOM 722 OG1 THR A 45 17.412 9.023 -14.316 1.00 0.00 O ATOM 723 CG2 THR A 45 18.802 7.168 -13.874 1.00 0.00 C ATOM 0 H THR A 45 16.957 8.950 -16.927 1.00 0.00 H new ATOM 0 HA THR A 45 19.746 8.954 -15.922 1.00 0.00 H new ATOM 0 HB THR A 45 17.338 7.225 -15.433 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.905 8.697 -13.544 1.00 0.00 H new ATOM 0 HG21 THR A 45 18.114 6.905 -13.070 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.238 6.260 -14.290 1.00 0.00 H new ATOM 0 HG23 THR A 45 19.595 7.804 -13.480 1.00 0.00 H new ATOM 731 N PHE A 46 19.651 7.300 -18.375 1.00 0.00 N ATOM 732 CA PHE A 46 20.021 6.160 -19.265 1.00 0.00 C ATOM 733 C PHE A 46 21.418 5.503 -19.058 1.00 0.00 C ATOM 734 O PHE A 46 21.519 4.282 -19.196 1.00 0.00 O ATOM 735 CB PHE A 46 19.785 6.598 -20.740 1.00 0.00 C ATOM 736 CG PHE A 46 19.662 5.474 -21.792 1.00 0.00 C ATOM 737 CD1 PHE A 46 18.707 4.456 -21.655 1.00 0.00 C ATOM 738 CD2 PHE A 46 20.479 5.493 -22.927 1.00 0.00 C ATOM 739 CE1 PHE A 46 18.592 3.463 -22.624 1.00 0.00 C ATOM 740 CE2 PHE A 46 20.356 4.503 -23.900 1.00 0.00 C ATOM 741 CZ PHE A 46 19.417 3.487 -23.744 1.00 0.00 C ATOM 0 H PHE A 46 19.508 8.175 -18.879 1.00 0.00 H new ATOM 0 HA PHE A 46 19.365 5.338 -18.977 1.00 0.00 H new ATOM 0 HB2 PHE A 46 18.874 7.196 -20.775 1.00 0.00 H new ATOM 0 HB3 PHE A 46 20.606 7.251 -21.036 1.00 0.00 H new ATOM 0 HD1 PHE A 46 18.057 4.442 -20.793 1.00 0.00 H new ATOM 0 HD2 PHE A 46 21.209 6.279 -23.050 1.00 0.00 H new ATOM 0 HE1 PHE A 46 17.863 2.675 -22.506 1.00 0.00 H new ATOM 0 HE2 PHE A 46 20.989 4.524 -24.775 1.00 0.00 H new ATOM 0 HZ PHE A 46 19.329 2.715 -24.494 1.00 0.00 H new ATOM 751 N GLN A 47 22.466 6.273 -18.712 1.00 0.00 N ATOM 752 CA GLN A 47 23.798 5.711 -18.335 1.00 0.00 C ATOM 753 C GLN A 47 23.848 4.925 -16.983 1.00 0.00 C ATOM 754 O GLN A 47 24.621 3.968 -16.897 1.00 0.00 O ATOM 755 CB GLN A 47 24.898 6.813 -18.353 1.00 0.00 C ATOM 756 CG GLN A 47 25.085 7.640 -19.650 1.00 0.00 C ATOM 757 CD GLN A 47 25.350 6.828 -20.929 1.00 0.00 C ATOM 758 OE1 GLN A 47 24.433 6.544 -21.700 1.00 0.00 O ATOM 759 NE2 GLN A 47 26.591 6.441 -21.184 1.00 0.00 N ATOM 0 H GLN A 47 22.426 7.292 -18.682 1.00 0.00 H new ATOM 0 HA GLN A 47 23.994 4.965 -19.105 1.00 0.00 H new ATOM 0 HB2 GLN A 47 24.685 7.509 -17.542 1.00 0.00 H new ATOM 0 HB3 GLN A 47 25.851 6.336 -18.122 1.00 0.00 H new ATOM 0 HG2 GLN A 47 24.192 8.245 -19.805 1.00 0.00 H new ATOM 0 HG3 GLN A 47 25.915 8.330 -19.502 1.00 0.00 H new ATOM 0 HE21 GLN A 47 27.343 6.682 -20.538 1.00 0.00 H new ATOM 0 HE22 GLN A 47 26.794 5.902 -22.026 1.00 0.00 H new ATOM 768 N LYS A 48 23.040 5.282 -15.957 1.00 0.00 N ATOM 769 CA LYS A 48 22.827 4.423 -14.759 1.00 0.00 C ATOM 770 C LYS A 48 21.919 3.165 -15.011 1.00 0.00 C ATOM 771 O LYS A 48 22.131 2.160 -14.329 1.00 0.00 O ATOM 772 CB LYS A 48 22.425 5.360 -13.580 1.00 0.00 C ATOM 773 CG LYS A 48 22.108 4.689 -12.226 1.00 0.00 C ATOM 774 CD LYS A 48 20.597 4.449 -12.066 1.00 0.00 C ATOM 775 CE LYS A 48 20.230 3.733 -10.755 1.00 0.00 C ATOM 776 NZ LYS A 48 18.770 3.675 -10.567 1.00 0.00 N ATOM 0 H LYS A 48 22.522 6.160 -15.931 1.00 0.00 H new ATOM 0 HA LYS A 48 23.752 3.919 -14.481 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.235 6.073 -13.423 1.00 0.00 H new ATOM 0 HB3 LYS A 48 21.550 5.933 -13.887 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.640 3.740 -12.154 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.467 5.318 -11.412 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.078 5.407 -12.107 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.239 3.856 -12.908 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.638 2.722 -10.764 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.687 4.254 -9.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.551 3.114 -9.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.396 4.639 -10.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.330 3.232 -11.399 1.00 0.00 H new ATOM 790 N VAL A 49 20.994 3.152 -16.004 1.00 0.00 N ATOM 791 CA VAL A 49 20.434 1.886 -16.589 1.00 0.00 C ATOM 792 C VAL A 49 21.546 0.967 -17.195 1.00 0.00 C ATOM 793 O VAL A 49 21.518 -0.236 -16.935 1.00 0.00 O ATOM 794 CB VAL A 49 19.318 2.110 -17.671 1.00 0.00 C ATOM 795 CG1 VAL A 49 18.542 0.818 -18.034 1.00 0.00 C ATOM 796 CG2 VAL A 49 18.262 3.190 -17.328 1.00 0.00 C ATOM 0 H VAL A 49 20.614 4.000 -16.423 1.00 0.00 H new ATOM 0 HA VAL A 49 19.971 1.392 -15.735 1.00 0.00 H new ATOM 0 HB VAL A 49 19.909 2.459 -18.518 1.00 0.00 H new ATOM 0 HG11 VAL A 49 17.787 1.046 -18.786 1.00 0.00 H new ATOM 0 HG12 VAL A 49 19.236 0.076 -18.429 1.00 0.00 H new ATOM 0 HG13 VAL A 49 18.057 0.422 -17.142 1.00 0.00 H new ATOM 0 HG21 VAL A 49 17.540 3.264 -18.141 1.00 0.00 H new ATOM 0 HG22 VAL A 49 17.746 2.915 -16.408 1.00 0.00 H new ATOM 0 HG23 VAL A 49 18.756 4.152 -17.194 1.00 0.00 H new ATOM 806 N LYS A 50 22.484 1.520 -18.000 1.00 0.00 N ATOM 807 CA LYS A 50 23.584 0.737 -18.625 1.00 0.00 C ATOM 808 C LYS A 50 24.572 0.082 -17.609 1.00 0.00 C ATOM 809 O LYS A 50 24.856 -1.112 -17.721 1.00 0.00 O ATOM 810 CB LYS A 50 24.394 1.571 -19.654 1.00 0.00 C ATOM 811 CG LYS A 50 23.628 2.019 -20.913 1.00 0.00 C ATOM 812 CD LYS A 50 24.511 2.868 -21.849 1.00 0.00 C ATOM 813 CE LYS A 50 23.707 3.505 -22.991 1.00 0.00 C ATOM 814 NZ LYS A 50 24.579 4.179 -23.968 1.00 0.00 N ATOM 0 H LYS A 50 22.503 2.512 -18.235 1.00 0.00 H new ATOM 0 HA LYS A 50 23.063 -0.072 -19.137 1.00 0.00 H new ATOM 0 HB2 LYS A 50 24.777 2.459 -19.151 1.00 0.00 H new ATOM 0 HB3 LYS A 50 25.258 0.985 -19.968 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.267 1.142 -21.450 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.751 2.596 -20.619 1.00 0.00 H new ATOM 0 HD2 LYS A 50 25.000 3.652 -21.271 1.00 0.00 H new ATOM 0 HD3 LYS A 50 25.299 2.242 -22.268 1.00 0.00 H new ATOM 0 HE2 LYS A 50 23.122 2.736 -23.496 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.999 4.224 -22.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 23.997 4.596 -24.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 25.118 4.930 -23.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 25.238 3.488 -24.380 1.00 0.00 H new ATOM 828 N GLU A 51 25.049 0.856 -16.610 1.00 0.00 N ATOM 829 CA GLU A 51 25.769 0.323 -15.412 1.00 0.00 C ATOM 830 C GLU A 51 25.024 -0.786 -14.590 1.00 0.00 C ATOM 831 O GLU A 51 25.682 -1.688 -14.064 1.00 0.00 O ATOM 832 CB GLU A 51 26.128 1.509 -14.471 1.00 0.00 C ATOM 833 CG GLU A 51 27.182 2.506 -15.010 1.00 0.00 C ATOM 834 CD GLU A 51 27.316 3.748 -14.127 1.00 0.00 C ATOM 835 OE1 GLU A 51 26.561 4.724 -14.339 1.00 0.00 O ATOM 836 OE2 GLU A 51 28.175 3.756 -13.217 1.00 0.00 O ATOM 0 H GLU A 51 24.950 1.871 -16.603 1.00 0.00 H new ATOM 0 HA GLU A 51 26.651 -0.178 -15.811 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.214 2.061 -14.249 1.00 0.00 H new ATOM 0 HB3 GLU A 51 26.491 1.102 -13.527 1.00 0.00 H new ATOM 0 HG2 GLU A 51 28.148 2.007 -15.079 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.907 2.810 -16.020 1.00 0.00 H new ATOM 843 N LYS A 52 23.681 -0.716 -14.490 1.00 0.00 N ATOM 844 CA LYS A 52 22.842 -1.762 -13.834 1.00 0.00 C ATOM 845 C LYS A 52 22.348 -2.927 -14.760 1.00 0.00 C ATOM 846 O LYS A 52 21.735 -3.865 -14.240 1.00 0.00 O ATOM 847 CB LYS A 52 21.615 -1.057 -13.181 1.00 0.00 C ATOM 848 CG LYS A 52 21.895 -0.105 -11.992 1.00 0.00 C ATOM 849 CD LYS A 52 22.297 -0.810 -10.682 1.00 0.00 C ATOM 850 CE LYS A 52 22.485 0.183 -9.522 1.00 0.00 C ATOM 851 NZ LYS A 52 22.875 -0.506 -8.280 1.00 0.00 N ATOM 0 H LYS A 52 23.139 0.065 -14.860 1.00 0.00 H new ATOM 0 HA LYS A 52 23.487 -2.252 -13.104 1.00 0.00 H new ATOM 0 HB2 LYS A 52 21.101 -0.488 -13.956 1.00 0.00 H new ATOM 0 HB3 LYS A 52 20.924 -1.828 -12.841 1.00 0.00 H new ATOM 0 HG2 LYS A 52 22.690 0.585 -12.276 1.00 0.00 H new ATOM 0 HG3 LYS A 52 21.004 0.495 -11.807 1.00 0.00 H new ATOM 0 HD2 LYS A 52 21.532 -1.539 -10.414 1.00 0.00 H new ATOM 0 HD3 LYS A 52 23.223 -1.363 -10.838 1.00 0.00 H new ATOM 0 HE2 LYS A 52 23.248 0.915 -9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 52 21.558 0.733 -9.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.993 0.192 -7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.135 -1.187 -8.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.772 -1.010 -8.430 1.00 0.00 H new ATOM 865 N LEU A 53 22.584 -2.888 -16.096 1.00 0.00 N ATOM 866 CA LEU A 53 22.119 -3.905 -17.083 1.00 0.00 C ATOM 867 C LEU A 53 20.579 -4.177 -17.033 1.00 0.00 C ATOM 868 O LEU A 53 20.149 -5.270 -16.655 1.00 0.00 O ATOM 869 CB LEU A 53 23.030 -5.155 -17.011 1.00 0.00 C ATOM 870 CG LEU A 53 24.572 -4.985 -17.174 1.00 0.00 C ATOM 871 CD1 LEU A 53 25.301 -6.307 -16.865 1.00 0.00 C ATOM 872 CD2 LEU A 53 24.979 -4.471 -18.571 1.00 0.00 C ATOM 0 H LEU A 53 23.115 -2.133 -16.530 1.00 0.00 H new ATOM 0 HA LEU A 53 22.233 -3.499 -18.088 1.00 0.00 H new ATOM 0 HB2 LEU A 53 22.853 -5.635 -16.048 1.00 0.00 H new ATOM 0 HB3 LEU A 53 22.694 -5.850 -17.780 1.00 0.00 H new ATOM 0 HG LEU A 53 24.874 -4.225 -16.454 1.00 0.00 H new ATOM 0 HD11 LEU A 53 26.375 -6.167 -16.985 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.086 -6.610 -15.840 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.958 -7.081 -17.551 1.00 0.00 H new ATOM 0 HD21 LEU A 53 26.063 -4.374 -18.621 1.00 0.00 H new ATOM 0 HD22 LEU A 53 24.642 -5.177 -19.331 1.00 0.00 H new ATOM 0 HD23 LEU A 53 24.519 -3.499 -18.749 1.00 0.00 H new ATOM 884 N LYS A 54 19.765 -3.143 -17.367 1.00 0.00 N ATOM 885 CA LYS A 54 18.290 -3.125 -17.152 1.00 0.00 C ATOM 886 C LYS A 54 17.966 -3.033 -15.632 1.00 0.00 C ATOM 887 O LYS A 54 17.941 -4.053 -14.935 1.00 0.00 O ATOM 888 CB LYS A 54 17.462 -4.233 -17.870 1.00 0.00 C ATOM 889 CG LYS A 54 17.572 -4.251 -19.412 1.00 0.00 C ATOM 890 CD LYS A 54 16.611 -5.220 -20.137 1.00 0.00 C ATOM 891 CE LYS A 54 16.945 -6.725 -20.051 1.00 0.00 C ATOM 892 NZ LYS A 54 16.543 -7.353 -18.778 1.00 0.00 N ATOM 0 H LYS A 54 20.116 -2.288 -17.798 1.00 0.00 H new ATOM 0 HA LYS A 54 17.950 -2.221 -17.657 1.00 0.00 H new ATOM 0 HB2 LYS A 54 17.779 -5.204 -17.489 1.00 0.00 H new ATOM 0 HB3 LYS A 54 16.413 -4.112 -17.599 1.00 0.00 H new ATOM 0 HG2 LYS A 54 17.391 -3.242 -19.783 1.00 0.00 H new ATOM 0 HG3 LYS A 54 18.595 -4.512 -19.683 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.610 -5.071 -19.734 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.576 -4.939 -21.190 1.00 0.00 H new ATOM 0 HE2 LYS A 54 16.452 -7.244 -20.873 1.00 0.00 H new ATOM 0 HE3 LYS A 54 18.018 -6.858 -20.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.362 -8.366 -18.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 17.305 -7.240 -18.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.678 -6.897 -18.424 1.00 0.00 H new ATOM 906 N ILE A 55 17.734 -1.804 -15.127 1.00 0.00 N ATOM 907 CA ILE A 55 17.455 -1.547 -13.687 1.00 0.00 C ATOM 908 C ILE A 55 16.073 -2.092 -13.196 1.00 0.00 C ATOM 909 O ILE A 55 16.047 -2.802 -12.186 1.00 0.00 O ATOM 910 CB ILE A 55 17.788 -0.049 -13.359 1.00 0.00 C ATOM 911 CG1 ILE A 55 18.017 0.243 -11.856 1.00 0.00 C ATOM 912 CG2 ILE A 55 16.902 1.024 -14.039 1.00 0.00 C ATOM 913 CD1 ILE A 55 16.796 0.443 -10.941 1.00 0.00 C ATOM 0 H ILE A 55 17.733 -0.959 -15.699 1.00 0.00 H new ATOM 0 HA ILE A 55 18.125 -2.148 -13.072 1.00 0.00 H new ATOM 0 HB ILE A 55 18.755 0.062 -13.850 1.00 0.00 H new ATOM 0 HG12 ILE A 55 18.604 -0.579 -11.447 1.00 0.00 H new ATOM 0 HG13 ILE A 55 18.632 1.140 -11.785 1.00 0.00 H new ATOM 0 HG21 ILE A 55 17.232 2.016 -13.732 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.986 0.932 -15.122 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.863 0.880 -13.742 1.00 0.00 H new ATOM 0 HD11 ILE A 55 17.132 0.638 -9.923 1.00 0.00 H new ATOM 0 HD12 ILE A 55 16.209 1.289 -11.297 1.00 0.00 H new ATOM 0 HD13 ILE A 55 16.180 -0.456 -10.954 1.00 0.00 H new ATOM 925 N ASP A 56 14.958 -1.790 -13.894 1.00 0.00 N ATOM 926 CA ASP A 56 13.614 -2.336 -13.555 1.00 0.00 C ATOM 927 C ASP A 56 12.848 -2.659 -14.874 1.00 0.00 C ATOM 928 O ASP A 56 13.027 -3.760 -15.404 1.00 0.00 O ATOM 929 CB ASP A 56 12.879 -1.525 -12.441 1.00 0.00 C ATOM 930 CG ASP A 56 12.694 -0.011 -12.644 1.00 0.00 C ATOM 931 OD1 ASP A 56 13.580 0.770 -12.233 1.00 0.00 O ATOM 932 OD2 ASP A 56 11.665 0.398 -13.222 1.00 0.00 O ATOM 0 H ASP A 56 14.956 -1.167 -14.702 1.00 0.00 H new ATOM 0 HA ASP A 56 13.699 -3.296 -13.045 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.891 -1.966 -12.306 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.424 -1.671 -11.508 1.00 0.00 H new ATOM 937 N SER A 57 12.020 -1.738 -15.408 1.00 0.00 N ATOM 938 CA SER A 57 11.271 -1.942 -16.675 1.00 0.00 C ATOM 939 C SER A 57 11.172 -0.593 -17.418 1.00 0.00 C ATOM 940 O SER A 57 10.447 0.321 -16.962 1.00 0.00 O ATOM 941 CB SER A 57 9.894 -2.608 -16.436 1.00 0.00 C ATOM 942 OG SER A 57 9.059 -1.843 -15.571 1.00 0.00 O ATOM 943 OXT SER A 57 11.839 -0.437 -18.466 1.00 0.00 O ATOM 0 H SER A 57 11.849 -0.830 -14.976 1.00 0.00 H new ATOM 0 HA SER A 57 11.813 -2.643 -17.309 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.390 -2.746 -17.393 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.043 -3.599 -16.008 1.00 0.00 H new ATOM 0 HG SER A 57 9.292 -0.894 -15.646 1.00 0.00 H new TER 949 SER A 57