USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 550 hydrogens (5 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 37 TYR OH : rot 167:sc= -0.192 USER MOD Set 1.2: A 50 LYS NZ :NH3+ -121:sc= -0.035 (180deg=-1.2) USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0223) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0298 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0346) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.03) USER MOD Single : A 12 THR OG1 : rot -86:sc= 2.32 USER MOD Single : A 18 SER OG : rot 180:sc= 0.455 USER MOD Single : A 20 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00476) USER MOD Single : A 26 LYS NZ :NH3+ -117:sc= 0.217 (180deg=-0.938) USER MOD Single : A 29 ASN : amide:sc=-0.000418 X(o=-0.00042,f=-0.16) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -1.43 K(o=-1.4,f=-0.71) USER MOD Single : A 38 LYS NZ :NH3+ 150:sc= -0.117 (180deg=-1.18) USER MOD Single : A 42 ASN : amide:sc= -0.0673 X(o=-0.067,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -2.18 K(o=-2.2,f=-5.2!) USER MOD Single : A 52 TYR OH : rot -29:sc= 1.06 USER MOD Single : A 55 MET CE :methyl -137:sc= 0 (180deg=-0.0243) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.895 3.027 3.696 1.00 0.00 N ATOM 2 CA MET A 1 8.573 1.626 3.792 1.00 0.00 C ATOM 3 C MET A 1 7.841 1.328 2.476 1.00 0.00 C ATOM 4 O MET A 1 6.890 2.018 2.106 1.00 0.00 O ATOM 5 CB MET A 1 7.678 1.471 5.019 1.00 0.00 C ATOM 6 CG MET A 1 7.417 0.019 5.378 1.00 0.00 C ATOM 7 SD MET A 1 8.943 -0.758 5.953 1.00 0.00 S ATOM 8 CE MET A 1 8.893 -0.234 7.674 1.00 0.00 C ATOM 0 H1 MET A 1 8.816 3.466 4.635 1.00 0.00 H new ATOM 0 H2 MET A 1 9.867 3.136 3.343 1.00 0.00 H new ATOM 0 H3 MET A 1 8.234 3.491 3.040 1.00 0.00 H new ATOM 0 HA MET A 1 9.416 0.946 3.913 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.143 1.972 5.868 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.727 1.971 4.835 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.654 -0.041 6.154 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.032 -0.515 4.510 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.717 -0.695 8.219 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.985 0.851 7.727 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.947 -0.540 8.120 1.00 0.00 H new ATOM 18 N GLU A 2 8.383 0.305 1.780 1.00 0.00 N ATOM 19 CA GLU A 2 7.832 -0.079 0.497 1.00 0.00 C ATOM 20 C GLU A 2 6.568 -0.908 0.728 1.00 0.00 C ATOM 21 O GLU A 2 6.434 -1.688 1.662 1.00 0.00 O ATOM 22 CB GLU A 2 8.888 -0.800 -0.356 1.00 0.00 C ATOM 23 CG GLU A 2 10.024 0.157 -0.781 1.00 0.00 C ATOM 24 CD GLU A 2 10.997 -0.457 -1.815 1.00 0.00 C ATOM 25 OE1 GLU A 2 10.540 -1.152 -2.725 1.00 0.00 O ATOM 26 OE2 GLU A 2 12.201 -0.221 -1.712 1.00 0.00 O ATOM 0 H GLU A 2 9.182 -0.248 2.090 1.00 0.00 H new ATOM 0 HA GLU A 2 7.547 0.805 -0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.306 -1.634 0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.415 -1.221 -1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.587 1.063 -1.200 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.587 0.454 0.104 1.00 0.00 H new ATOM 33 N ALA A 3 5.654 -0.625 -0.205 1.00 0.00 N ATOM 34 CA ALA A 3 4.339 -1.217 -0.271 1.00 0.00 C ATOM 35 C ALA A 3 4.177 -1.573 -1.753 1.00 0.00 C ATOM 36 O ALA A 3 4.549 -0.793 -2.617 1.00 0.00 O ATOM 37 CB ALA A 3 3.386 -0.145 0.284 1.00 0.00 C ATOM 0 H ALA A 3 5.827 0.046 -0.954 1.00 0.00 H new ATOM 0 HA ALA A 3 4.147 -2.121 0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.364 -0.523 0.266 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.666 0.095 1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.452 0.753 -0.330 1.00 0.00 H new ATOM 43 N ILE A 4 3.657 -2.789 -2.005 1.00 0.00 N ATOM 44 CA ILE A 4 3.539 -3.269 -3.377 1.00 0.00 C ATOM 45 C ILE A 4 2.208 -3.989 -3.589 1.00 0.00 C ATOM 46 O ILE A 4 1.849 -4.889 -2.844 1.00 0.00 O ATOM 47 CB ILE A 4 4.678 -4.286 -3.586 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.072 -3.690 -3.276 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.661 -4.880 -5.008 1.00 0.00 C ATOM 50 CD1 ILE A 4 6.618 -4.063 -1.891 1.00 0.00 C ATOM 0 H ILE A 4 3.322 -3.436 -1.291 1.00 0.00 H new ATOM 0 HA ILE A 4 3.592 -2.432 -4.073 1.00 0.00 H new ATOM 0 HB ILE A 4 4.494 -5.089 -2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.777 -4.028 -4.036 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.016 -2.604 -3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.479 -5.592 -5.115 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.712 -5.389 -5.178 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.779 -4.079 -5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.598 -3.607 -1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.936 -3.701 -1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.708 -5.147 -1.815 1.00 0.00 H new ATOM 62 N ALA A 5 1.517 -3.553 -4.657 1.00 0.00 N ATOM 63 CA ALA A 5 0.244 -4.163 -5.007 1.00 0.00 C ATOM 64 C ALA A 5 0.463 -5.625 -5.469 1.00 0.00 C ATOM 65 O ALA A 5 1.163 -5.891 -6.439 1.00 0.00 O ATOM 66 CB ALA A 5 -0.345 -3.361 -6.167 1.00 0.00 C ATOM 0 H ALA A 5 1.818 -2.798 -5.273 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.423 -4.163 -4.145 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.303 -3.791 -6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.491 -2.326 -5.857 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.339 -3.393 -7.015 1.00 0.00 H new ATOM 72 N LYS A 6 -0.203 -6.539 -4.740 1.00 0.00 N ATOM 73 CA LYS A 6 -0.108 -7.969 -5.042 1.00 0.00 C ATOM 74 C LYS A 6 -1.145 -8.441 -6.055 1.00 0.00 C ATOM 75 O LYS A 6 -0.967 -9.447 -6.734 1.00 0.00 O ATOM 76 CB LYS A 6 -0.339 -8.800 -3.816 1.00 0.00 C ATOM 77 CG LYS A 6 0.906 -8.699 -2.963 1.00 0.00 C ATOM 78 CD LYS A 6 0.619 -9.311 -1.633 1.00 0.00 C ATOM 79 CE LYS A 6 0.554 -10.840 -1.602 1.00 0.00 C ATOM 80 NZ LYS A 6 1.846 -11.461 -1.877 1.00 0.00 N ATOM 0 H LYS A 6 -0.804 -6.312 -3.948 1.00 0.00 H new ATOM 0 HA LYS A 6 0.897 -8.095 -5.444 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.210 -8.442 -3.268 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.536 -9.837 -4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.738 -9.213 -3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.201 -7.656 -2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.386 -8.985 -0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.331 -8.919 -1.271 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.199 -11.165 -0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.174 -11.184 -2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.772 -12.490 -1.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.127 -11.257 -2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.561 -11.079 -1.225 1.00 0.00 H new ATOM 94 N TYR A 7 -2.235 -7.660 -6.060 1.00 0.00 N ATOM 95 CA TYR A 7 -3.367 -7.946 -6.929 1.00 0.00 C ATOM 96 C TYR A 7 -3.919 -6.642 -7.511 1.00 0.00 C ATOM 97 O TYR A 7 -3.512 -5.535 -7.179 1.00 0.00 O ATOM 98 CB TYR A 7 -4.457 -8.664 -6.115 1.00 0.00 C ATOM 99 CG TYR A 7 -4.024 -10.034 -5.673 1.00 0.00 C ATOM 100 CD1 TYR A 7 -4.120 -11.113 -6.541 1.00 0.00 C ATOM 101 CD2 TYR A 7 -3.527 -10.240 -4.394 1.00 0.00 C ATOM 102 CE1 TYR A 7 -3.743 -12.386 -6.146 1.00 0.00 C ATOM 103 CE2 TYR A 7 -3.128 -11.504 -3.983 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.240 -12.596 -4.855 1.00 0.00 C ATOM 105 OH TYR A 7 -2.833 -13.860 -4.444 1.00 0.00 O ATOM 0 H TYR A 7 -2.349 -6.833 -5.474 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.046 -8.586 -7.751 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.709 -8.065 -5.240 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.362 -8.747 -6.717 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -4.495 -10.957 -7.542 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.450 -9.407 -3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.837 -13.215 -6.832 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.730 -11.647 -2.989 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.512 -13.816 -3.519 1.00 0.00 H new ATOM 115 N ASP A 8 -4.876 -6.898 -8.423 1.00 0.00 N ATOM 116 CA ASP A 8 -5.586 -5.852 -9.137 1.00 0.00 C ATOM 117 C ASP A 8 -6.721 -5.369 -8.223 1.00 0.00 C ATOM 118 O ASP A 8 -7.498 -6.168 -7.713 1.00 0.00 O ATOM 119 CB ASP A 8 -6.138 -6.442 -10.444 1.00 0.00 C ATOM 120 CG ASP A 8 -5.010 -7.091 -11.268 1.00 0.00 C ATOM 121 OD1 ASP A 8 -4.247 -6.355 -11.892 1.00 0.00 O ATOM 122 OD2 ASP A 8 -4.900 -8.320 -11.261 1.00 0.00 O ATOM 0 H ASP A 8 -5.169 -7.841 -8.677 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.938 -5.012 -9.388 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.904 -7.184 -10.219 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.617 -5.657 -11.029 1.00 0.00 H new ATOM 127 N PHE A 9 -6.757 -4.032 -8.037 1.00 0.00 N ATOM 128 CA PHE A 9 -7.770 -3.450 -7.168 1.00 0.00 C ATOM 129 C PHE A 9 -8.359 -2.161 -7.751 1.00 0.00 C ATOM 130 O PHE A 9 -7.782 -1.438 -8.554 1.00 0.00 O ATOM 131 CB PHE A 9 -7.153 -3.171 -5.784 1.00 0.00 C ATOM 132 CG PHE A 9 -8.201 -2.950 -4.722 1.00 0.00 C ATOM 133 CD1 PHE A 9 -9.078 -3.983 -4.425 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.337 -1.738 -4.048 1.00 0.00 C ATOM 135 CE1 PHE A 9 -10.085 -3.812 -3.496 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.346 -1.565 -3.103 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.223 -2.608 -2.829 1.00 0.00 C ATOM 0 H PHE A 9 -6.115 -3.365 -8.466 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.588 -4.165 -7.077 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.519 -4.009 -5.496 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.511 -2.292 -5.846 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.972 -4.933 -4.927 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.656 -0.927 -4.260 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.768 -4.622 -3.289 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.446 -0.623 -2.585 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.008 -2.479 -2.099 1.00 0.00 H new ATOM 147 N LYS A 10 -9.579 -1.962 -7.243 1.00 0.00 N ATOM 148 CA LYS A 10 -10.426 -0.824 -7.545 1.00 0.00 C ATOM 149 C LYS A 10 -10.994 -0.279 -6.218 1.00 0.00 C ATOM 150 O LYS A 10 -11.599 -0.991 -5.426 1.00 0.00 O ATOM 151 CB LYS A 10 -11.505 -1.192 -8.577 1.00 0.00 C ATOM 152 CG LYS A 10 -12.660 -2.067 -8.057 1.00 0.00 C ATOM 153 CD LYS A 10 -12.194 -3.344 -7.344 1.00 0.00 C ATOM 154 CE LYS A 10 -13.340 -4.282 -6.956 1.00 0.00 C ATOM 155 NZ LYS A 10 -14.262 -3.640 -6.024 1.00 0.00 N ATOM 0 H LYS A 10 -10.011 -2.615 -6.589 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.849 -0.028 -8.016 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.925 -0.270 -8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.025 -1.712 -9.406 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.268 -1.479 -7.370 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.301 -2.342 -8.894 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.501 -3.880 -7.992 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.642 -3.068 -6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.880 -4.588 -7.852 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.934 -5.187 -6.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.998 -4.318 -5.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.740 -3.324 -5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.705 -2.819 -6.484 1.00 0.00 H new ATOM 169 N ALA A 11 -10.743 1.024 -6.031 1.00 0.00 N ATOM 170 CA ALA A 11 -11.187 1.758 -4.839 1.00 0.00 C ATOM 171 C ALA A 11 -12.684 1.581 -4.535 1.00 0.00 C ATOM 172 O ALA A 11 -13.489 1.206 -5.380 1.00 0.00 O ATOM 173 CB ALA A 11 -10.955 3.259 -5.038 1.00 0.00 C ATOM 0 H ALA A 11 -10.228 1.597 -6.700 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.608 1.351 -4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.286 3.799 -4.151 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.893 3.445 -5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.520 3.603 -5.904 1.00 0.00 H new ATOM 179 N THR A 12 -12.980 1.915 -3.261 1.00 0.00 N ATOM 180 CA THR A 12 -14.346 1.891 -2.740 1.00 0.00 C ATOM 181 C THR A 12 -14.796 3.354 -2.537 1.00 0.00 C ATOM 182 O THR A 12 -15.431 3.736 -1.559 1.00 0.00 O ATOM 183 CB THR A 12 -14.469 0.996 -1.471 1.00 0.00 C ATOM 184 OG1 THR A 12 -14.591 1.646 -0.174 1.00 0.00 O ATOM 185 CG2 THR A 12 -13.412 -0.136 -1.517 1.00 0.00 C ATOM 0 H THR A 12 -12.280 2.205 -2.578 1.00 0.00 H new ATOM 0 HA THR A 12 -15.026 1.422 -3.451 1.00 0.00 H new ATOM 0 HB THR A 12 -15.469 0.567 -1.540 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.698 1.843 0.178 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.505 -0.757 -0.626 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.573 -0.748 -2.404 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.414 0.300 -1.553 1.00 0.00 H new ATOM 193 N ALA A 13 -14.483 4.077 -3.641 1.00 0.00 N ATOM 194 CA ALA A 13 -14.715 5.503 -3.855 1.00 0.00 C ATOM 195 C ALA A 13 -13.665 6.276 -3.091 1.00 0.00 C ATOM 196 O ALA A 13 -12.997 5.743 -2.232 1.00 0.00 O ATOM 197 CB ALA A 13 -16.131 5.919 -3.427 1.00 0.00 C ATOM 0 H ALA A 13 -14.035 3.641 -4.447 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.637 5.725 -4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -16.265 6.987 -3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.865 5.361 -4.008 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.268 5.705 -2.367 1.00 0.00 H new ATOM 203 N ASP A 14 -13.545 7.522 -3.576 1.00 0.00 N ATOM 204 CA ASP A 14 -12.678 8.644 -3.229 1.00 0.00 C ATOM 205 C ASP A 14 -11.773 8.506 -1.977 1.00 0.00 C ATOM 206 O ASP A 14 -10.616 8.907 -2.015 1.00 0.00 O ATOM 207 CB ASP A 14 -13.628 9.842 -3.200 1.00 0.00 C ATOM 208 CG ASP A 14 -12.906 11.195 -3.355 1.00 0.00 C ATOM 209 OD1 ASP A 14 -12.124 11.342 -4.296 1.00 0.00 O ATOM 210 OD2 ASP A 14 -13.139 12.091 -2.541 1.00 0.00 O ATOM 0 H ASP A 14 -14.157 7.800 -4.343 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.883 8.737 -3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.361 9.735 -4.000 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.179 9.837 -2.260 1.00 0.00 H new ATOM 215 N ASP A 15 -12.331 7.937 -0.883 1.00 0.00 N ATOM 216 CA ASP A 15 -11.533 7.767 0.349 1.00 0.00 C ATOM 217 C ASP A 15 -10.329 6.814 0.110 1.00 0.00 C ATOM 218 O ASP A 15 -9.233 6.964 0.636 1.00 0.00 O ATOM 219 CB ASP A 15 -12.427 7.429 1.566 1.00 0.00 C ATOM 220 CG ASP A 15 -13.378 6.210 1.473 1.00 0.00 C ATOM 221 OD1 ASP A 15 -13.718 5.770 0.379 1.00 0.00 O ATOM 222 OD2 ASP A 15 -13.796 5.722 2.525 1.00 0.00 O ATOM 0 H ASP A 15 -13.292 7.600 -0.828 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.077 8.720 0.616 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.773 7.273 2.424 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.035 8.307 1.784 1.00 0.00 H new ATOM 227 N GLU A 16 -10.639 5.866 -0.782 1.00 0.00 N ATOM 228 CA GLU A 16 -9.790 4.823 -1.319 1.00 0.00 C ATOM 229 C GLU A 16 -9.357 5.236 -2.736 1.00 0.00 C ATOM 230 O GLU A 16 -10.011 6.005 -3.430 1.00 0.00 O ATOM 231 CB GLU A 16 -10.622 3.526 -1.443 1.00 0.00 C ATOM 232 CG GLU A 16 -10.590 2.624 -0.200 1.00 0.00 C ATOM 233 CD GLU A 16 -11.458 3.124 0.965 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.125 4.141 1.565 1.00 0.00 O ATOM 235 OE2 GLU A 16 -12.446 2.476 1.284 1.00 0.00 O ATOM 0 H GLU A 16 -11.579 5.814 -1.175 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.926 4.669 -0.673 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.657 3.793 -1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.258 2.957 -2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.921 1.625 -0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.559 2.533 0.143 1.00 0.00 H new ATOM 242 N LEU A 17 -8.214 4.639 -3.112 1.00 0.00 N ATOM 243 CA LEU A 17 -7.653 4.835 -4.453 1.00 0.00 C ATOM 244 C LEU A 17 -7.234 3.463 -4.995 1.00 0.00 C ATOM 245 O LEU A 17 -6.908 2.530 -4.269 1.00 0.00 O ATOM 246 CB LEU A 17 -6.619 5.970 -4.559 1.00 0.00 C ATOM 247 CG LEU A 17 -5.271 5.750 -3.858 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.255 5.044 -4.757 1.00 0.00 C ATOM 249 CD2 LEU A 17 -4.659 7.091 -3.451 1.00 0.00 C ATOM 0 H LEU A 17 -7.667 4.023 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.418 5.230 -5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.426 6.155 -5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.068 6.877 -4.154 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.479 5.126 -2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.319 4.912 -4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.644 4.069 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.077 5.647 -5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.704 6.919 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.502 7.704 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.334 7.607 -2.769 1.00 0.00 H new ATOM 261 N SER A 18 -7.284 3.437 -6.335 1.00 0.00 N ATOM 262 CA SER A 18 -7.030 2.235 -7.109 1.00 0.00 C ATOM 263 C SER A 18 -5.531 2.025 -7.391 1.00 0.00 C ATOM 264 O SER A 18 -4.715 2.936 -7.338 1.00 0.00 O ATOM 265 CB SER A 18 -7.767 2.445 -8.447 1.00 0.00 C ATOM 266 OG SER A 18 -9.196 2.686 -8.039 1.00 0.00 O ATOM 0 H SER A 18 -7.503 4.255 -6.904 1.00 0.00 H new ATOM 0 HA SER A 18 -7.370 1.357 -6.560 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.360 3.293 -8.998 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.678 1.572 -9.094 1.00 0.00 H new ATOM 0 HG SER A 18 -9.744 2.833 -8.838 1.00 0.00 H new ATOM 272 N PHE A 19 -5.273 0.747 -7.726 1.00 0.00 N ATOM 273 CA PHE A 19 -3.944 0.265 -8.089 1.00 0.00 C ATOM 274 C PHE A 19 -4.150 -1.030 -8.853 1.00 0.00 C ATOM 275 O PHE A 19 -5.095 -1.767 -8.619 1.00 0.00 O ATOM 276 CB PHE A 19 -3.004 -0.012 -6.899 1.00 0.00 C ATOM 277 CG PHE A 19 -3.595 -0.896 -5.828 1.00 0.00 C ATOM 278 CD1 PHE A 19 -3.471 -2.280 -5.898 1.00 0.00 C ATOM 279 CD2 PHE A 19 -4.252 -0.338 -4.736 1.00 0.00 C ATOM 280 CE1 PHE A 19 -3.962 -3.092 -4.886 1.00 0.00 C ATOM 281 CE2 PHE A 19 -4.762 -1.149 -3.731 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.610 -2.525 -3.799 1.00 0.00 C ATOM 0 H PHE A 19 -5.991 0.022 -7.750 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.456 1.050 -8.667 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.092 -0.476 -7.273 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.717 0.939 -6.450 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.986 -2.729 -6.752 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.366 0.734 -4.670 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.840 -4.163 -4.945 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.279 -0.706 -2.893 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.995 -3.153 -3.009 1.00 0.00 H new ATOM 292 N LYS A 20 -3.215 -1.239 -9.784 1.00 0.00 N ATOM 293 CA LYS A 20 -3.206 -2.431 -10.605 1.00 0.00 C ATOM 294 C LYS A 20 -2.038 -3.260 -10.078 1.00 0.00 C ATOM 295 O LYS A 20 -1.042 -2.720 -9.615 1.00 0.00 O ATOM 296 CB LYS A 20 -2.973 -2.064 -12.081 1.00 0.00 C ATOM 297 CG LYS A 20 -4.210 -1.492 -12.798 1.00 0.00 C ATOM 298 CD LYS A 20 -4.722 -0.135 -12.284 1.00 0.00 C ATOM 299 CE LYS A 20 -3.651 0.963 -12.214 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.958 1.177 -13.480 1.00 0.00 N ATOM 0 H LYS A 20 -2.455 -0.588 -9.981 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.152 -2.970 -10.556 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.165 -1.334 -12.138 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.637 -2.953 -12.615 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.977 -1.392 -13.858 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.020 -2.217 -12.717 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.530 0.204 -12.932 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.148 -0.274 -11.290 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.118 1.897 -11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.921 0.700 -11.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.273 1.952 -13.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.457 0.307 -13.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.649 1.424 -14.217 1.00 0.00 H new ATOM 314 N ARG A 21 -2.235 -4.586 -10.134 1.00 0.00 N ATOM 315 CA ARG A 21 -1.196 -5.520 -9.709 1.00 0.00 C ATOM 316 C ARG A 21 0.183 -5.140 -10.305 1.00 0.00 C ATOM 317 O ARG A 21 0.398 -5.164 -11.512 1.00 0.00 O ATOM 318 CB ARG A 21 -1.576 -6.899 -10.220 1.00 0.00 C ATOM 319 CG ARG A 21 -0.638 -7.975 -9.684 1.00 0.00 C ATOM 320 CD ARG A 21 -0.661 -9.217 -10.543 1.00 0.00 C ATOM 321 NE ARG A 21 -2.036 -9.667 -10.734 1.00 0.00 N ATOM 322 CZ ARG A 21 -2.341 -10.776 -11.428 1.00 0.00 C ATOM 323 NH1 ARG A 21 -1.387 -11.551 -11.926 1.00 0.00 N ATOM 324 NH2 ARG A 21 -3.614 -11.089 -11.625 1.00 0.00 N ATOM 0 H ARG A 21 -3.094 -5.026 -10.465 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.119 -5.495 -8.622 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.600 -7.128 -9.924 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.551 -6.903 -11.310 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.378 -7.582 -9.640 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.925 -8.233 -8.665 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.200 -9.010 -11.509 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.074 -10.005 -10.072 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.793 -9.119 -10.326 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.407 -11.308 -11.784 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.634 -12.390 -12.451 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.350 -10.490 -11.251 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.857 -11.929 -12.150 1.00 0.00 H new ATOM 338 N GLY A 22 1.070 -4.791 -9.362 1.00 0.00 N ATOM 339 CA GLY A 22 2.426 -4.395 -9.680 1.00 0.00 C ATOM 340 C GLY A 22 2.708 -2.921 -9.393 1.00 0.00 C ATOM 341 O GLY A 22 3.848 -2.502 -9.564 1.00 0.00 O ATOM 0 H GLY A 22 0.857 -4.779 -8.365 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.120 -5.009 -9.107 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.618 -4.596 -10.734 1.00 0.00 H new ATOM 345 N ASP A 23 1.678 -2.132 -8.956 1.00 0.00 N ATOM 346 CA ASP A 23 2.012 -0.745 -8.697 1.00 0.00 C ATOM 347 C ASP A 23 2.844 -0.662 -7.410 1.00 0.00 C ATOM 348 O ASP A 23 2.711 -1.471 -6.498 1.00 0.00 O ATOM 349 CB ASP A 23 0.776 0.166 -8.578 1.00 0.00 C ATOM 350 CG ASP A 23 -0.101 0.292 -9.843 1.00 0.00 C ATOM 351 OD1 ASP A 23 0.169 -0.353 -10.854 1.00 0.00 O ATOM 352 OD2 ASP A 23 -1.055 1.068 -9.799 1.00 0.00 O ATOM 0 H ASP A 23 0.712 -2.417 -8.796 1.00 0.00 H new ATOM 0 HA ASP A 23 2.582 -0.384 -9.553 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.153 -0.206 -7.765 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.111 1.163 -8.292 1.00 0.00 H new ATOM 357 N ILE A 24 3.700 0.375 -7.413 1.00 0.00 N ATOM 358 CA ILE A 24 4.577 0.635 -6.280 1.00 0.00 C ATOM 359 C ILE A 24 3.941 1.783 -5.484 1.00 0.00 C ATOM 360 O ILE A 24 3.665 2.861 -5.998 1.00 0.00 O ATOM 361 CB ILE A 24 5.995 0.985 -6.773 1.00 0.00 C ATOM 362 CG1 ILE A 24 6.565 -0.101 -7.711 1.00 0.00 C ATOM 363 CG2 ILE A 24 6.961 1.258 -5.608 1.00 0.00 C ATOM 364 CD1 ILE A 24 6.625 -1.505 -7.096 1.00 0.00 C ATOM 0 H ILE A 24 3.796 1.036 -8.184 1.00 0.00 H new ATOM 0 HA ILE A 24 4.684 -0.242 -5.642 1.00 0.00 H new ATOM 0 HB ILE A 24 5.900 1.906 -7.348 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.956 -0.139 -8.614 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.570 0.191 -8.016 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.948 1.500 -6.003 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.591 2.096 -5.017 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.030 0.372 -4.977 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.038 -2.204 -7.824 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.259 -1.487 -6.210 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.621 -1.823 -6.817 1.00 0.00 H new ATOM 376 N LEU A 25 3.726 1.448 -4.198 1.00 0.00 N ATOM 377 CA LEU A 25 3.118 2.342 -3.243 1.00 0.00 C ATOM 378 C LEU A 25 4.162 2.876 -2.288 1.00 0.00 C ATOM 379 O LEU A 25 5.263 2.357 -2.131 1.00 0.00 O ATOM 380 CB LEU A 25 2.208 1.510 -2.347 1.00 0.00 C ATOM 381 CG LEU A 25 0.992 0.896 -3.007 1.00 0.00 C ATOM 382 CD1 LEU A 25 0.383 1.732 -4.100 1.00 0.00 C ATOM 383 CD2 LEU A 25 1.174 -0.563 -3.438 1.00 0.00 C ATOM 0 H LEU A 25 3.977 0.540 -3.808 1.00 0.00 H new ATOM 0 HA LEU A 25 2.613 3.139 -3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.801 0.707 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.869 2.140 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 25 0.261 0.883 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.482 1.214 -4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.069 2.692 -3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.120 1.896 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.255 -0.923 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.992 -0.631 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.404 -1.174 -2.565 1.00 0.00 H new ATOM 395 N LYS A 26 3.645 3.918 -1.619 1.00 0.00 N ATOM 396 CA LYS A 26 4.466 4.582 -0.604 1.00 0.00 C ATOM 397 C LYS A 26 3.616 4.850 0.629 1.00 0.00 C ATOM 398 O LYS A 26 2.760 5.715 0.602 1.00 0.00 O ATOM 399 CB LYS A 26 5.142 5.829 -1.183 1.00 0.00 C ATOM 400 CG LYS A 26 6.106 6.519 -0.207 1.00 0.00 C ATOM 401 CD LYS A 26 6.064 8.043 -0.309 1.00 0.00 C ATOM 402 CE LYS A 26 4.877 8.610 0.472 1.00 0.00 C ATOM 403 NZ LYS A 26 4.775 10.058 0.354 1.00 0.00 N ATOM 0 H LYS A 26 2.710 4.302 -1.754 1.00 0.00 H new ATOM 0 HA LYS A 26 5.284 3.934 -0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.689 5.550 -2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.374 6.541 -1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.859 6.221 0.812 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.121 6.174 -0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.993 8.463 0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.991 8.340 -1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.956 8.153 0.110 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.975 8.340 1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.898 10.492 1.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.514 10.407 -0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.840 10.310 -0.024 1.00 0.00 H new ATOM 417 N VAL A 27 3.934 4.160 1.753 1.00 0.00 N ATOM 418 CA VAL A 27 3.078 4.327 2.892 1.00 0.00 C ATOM 419 C VAL A 27 3.539 5.517 3.748 1.00 0.00 C ATOM 420 O VAL A 27 4.682 5.659 4.159 1.00 0.00 O ATOM 421 CB VAL A 27 3.077 2.980 3.610 1.00 0.00 C ATOM 422 CG1 VAL A 27 2.148 1.973 2.922 1.00 0.00 C ATOM 423 CG2 VAL A 27 4.460 2.375 3.846 1.00 0.00 C ATOM 0 H VAL A 27 4.728 3.530 1.869 1.00 0.00 H new ATOM 0 HA VAL A 27 2.053 4.584 2.625 1.00 0.00 H new ATOM 0 HB VAL A 27 2.687 3.201 4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.174 1.026 3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.129 2.361 2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.479 1.815 1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.356 1.420 4.361 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.957 2.218 2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.055 3.054 4.457 1.00 0.00 H new ATOM 433 N LEU A 28 2.510 6.370 3.931 1.00 0.00 N ATOM 434 CA LEU A 28 2.619 7.629 4.647 1.00 0.00 C ATOM 435 C LEU A 28 2.285 7.454 6.136 1.00 0.00 C ATOM 436 O LEU A 28 3.105 7.733 7.001 1.00 0.00 O ATOM 437 CB LEU A 28 1.647 8.596 3.942 1.00 0.00 C ATOM 438 CG LEU A 28 1.655 10.033 4.484 1.00 0.00 C ATOM 439 CD1 LEU A 28 2.999 10.728 4.234 1.00 0.00 C ATOM 440 CD2 LEU A 28 0.507 10.840 3.860 1.00 0.00 C ATOM 0 H LEU A 28 1.572 6.188 3.575 1.00 0.00 H new ATOM 0 HA LEU A 28 3.637 8.019 4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.891 8.623 2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.636 8.197 4.027 1.00 0.00 H new ATOM 0 HG LEU A 28 1.510 9.983 5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.964 11.742 4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.794 10.171 4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.195 10.765 3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.522 11.857 4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.627 10.866 2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.445 10.370 4.108 1.00 0.00 H new ATOM 452 N ASN A 29 1.039 6.980 6.364 1.00 0.00 N ATOM 453 CA ASN A 29 0.532 6.763 7.721 1.00 0.00 C ATOM 454 C ASN A 29 -0.099 5.363 7.820 1.00 0.00 C ATOM 455 O ASN A 29 -0.953 4.992 7.021 1.00 0.00 O ATOM 456 CB ASN A 29 -0.529 7.827 8.045 1.00 0.00 C ATOM 457 CG ASN A 29 0.060 9.245 7.983 1.00 0.00 C ATOM 458 OD1 ASN A 29 1.154 9.510 8.463 1.00 0.00 O ATOM 459 ND2 ASN A 29 -0.729 10.139 7.369 1.00 0.00 N ATOM 0 H ASN A 29 0.376 6.744 5.625 1.00 0.00 H new ATOM 0 HA ASN A 29 1.355 6.839 8.432 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.356 7.744 7.340 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.938 7.644 9.039 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.427 11.109 7.280 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.631 9.849 6.991 1.00 0.00 H new ATOM 466 N GLU A 30 0.369 4.634 8.856 1.00 0.00 N ATOM 467 CA GLU A 30 -0.102 3.278 9.129 1.00 0.00 C ATOM 468 C GLU A 30 -0.263 3.097 10.651 1.00 0.00 C ATOM 469 O GLU A 30 0.419 2.315 11.304 1.00 0.00 O ATOM 470 CB GLU A 30 0.832 2.231 8.485 1.00 0.00 C ATOM 471 CG GLU A 30 2.322 2.304 8.888 1.00 0.00 C ATOM 472 CD GLU A 30 3.065 3.480 8.225 1.00 0.00 C ATOM 473 OE1 GLU A 30 3.129 3.519 6.999 1.00 0.00 O ATOM 474 OE2 GLU A 30 3.569 4.341 8.946 1.00 0.00 O ATOM 0 H GLU A 30 1.073 4.971 9.512 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.080 3.121 8.673 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.458 1.238 8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.765 2.333 7.402 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.396 2.398 9.971 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.813 1.370 8.615 1.00 0.00 H new ATOM 481 N GLU A 31 -1.239 3.880 11.153 1.00 0.00 N ATOM 482 CA GLU A 31 -1.548 3.875 12.581 1.00 0.00 C ATOM 483 C GLU A 31 -2.997 4.333 12.828 1.00 0.00 C ATOM 484 O GLU A 31 -3.304 5.003 13.805 1.00 0.00 O ATOM 485 CB GLU A 31 -0.527 4.720 13.353 1.00 0.00 C ATOM 486 CG GLU A 31 -0.399 6.096 12.713 1.00 0.00 C ATOM 487 CD GLU A 31 0.442 7.068 13.551 1.00 0.00 C ATOM 488 OE1 GLU A 31 1.595 6.755 13.841 1.00 0.00 O ATOM 489 OE2 GLU A 31 -0.068 8.131 13.907 1.00 0.00 O ATOM 0 H GLU A 31 -1.814 4.511 10.594 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.471 2.855 12.957 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.838 4.821 14.393 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.442 4.220 13.357 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.051 5.992 11.726 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.394 6.517 12.567 1.00 0.00 H new ATOM 496 N CYS A 32 -3.850 3.926 11.866 1.00 0.00 N ATOM 497 CA CYS A 32 -5.273 4.253 11.909 1.00 0.00 C ATOM 498 C CYS A 32 -6.075 2.951 11.885 1.00 0.00 C ATOM 499 O CYS A 32 -6.820 2.649 12.806 1.00 0.00 O ATOM 500 CB CYS A 32 -5.645 5.188 10.750 1.00 0.00 C ATOM 501 SG CYS A 32 -7.360 5.765 10.826 1.00 0.00 S ATOM 0 H CYS A 32 -3.571 3.373 11.056 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.511 4.788 12.828 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.977 6.050 10.757 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.484 4.668 9.806 1.00 0.00 H new ATOM 0 HG CYS A 32 -7.599 6.550 9.818 1.00 0.00 H new ATOM 507 N ASP A 33 -5.853 2.197 10.784 1.00 0.00 N ATOM 508 CA ASP A 33 -6.516 0.909 10.588 1.00 0.00 C ATOM 509 C ASP A 33 -5.449 -0.182 10.428 1.00 0.00 C ATOM 510 O ASP A 33 -4.336 0.058 9.978 1.00 0.00 O ATOM 511 CB ASP A 33 -7.418 0.930 9.343 1.00 0.00 C ATOM 512 CG ASP A 33 -8.445 2.069 9.408 1.00 0.00 C ATOM 513 OD1 ASP A 33 -9.078 2.226 10.449 1.00 0.00 O ATOM 514 OD2 ASP A 33 -8.602 2.782 8.421 1.00 0.00 O ATOM 0 H ASP A 33 -5.222 2.465 10.028 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.142 0.704 11.456 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.804 1.044 8.450 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.937 -0.024 9.253 1.00 0.00 H new ATOM 519 N GLN A 34 -5.885 -1.390 10.831 1.00 0.00 N ATOM 520 CA GLN A 34 -5.076 -2.605 10.773 1.00 0.00 C ATOM 521 C GLN A 34 -5.756 -3.553 9.774 1.00 0.00 C ATOM 522 O GLN A 34 -5.994 -4.726 10.029 1.00 0.00 O ATOM 523 CB GLN A 34 -5.055 -3.231 12.173 1.00 0.00 C ATOM 524 CG GLN A 34 -4.531 -2.273 13.257 1.00 0.00 C ATOM 525 CD GLN A 34 -4.586 -2.928 14.646 1.00 0.00 C ATOM 526 OE1 GLN A 34 -3.712 -3.690 15.034 1.00 0.00 O ATOM 527 NE2 GLN A 34 -5.661 -2.577 15.369 1.00 0.00 N ATOM 0 H GLN A 34 -6.820 -1.543 11.209 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.052 -2.403 10.458 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.063 -3.551 12.436 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.432 -4.125 12.155 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.505 -1.985 13.027 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.126 -1.360 13.258 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.351 -1.935 14.979 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.788 -2.953 16.309 1.00 0.00 H new ATOM 536 N ASN A 35 -6.051 -2.917 8.628 1.00 0.00 N ATOM 537 CA ASN A 35 -6.755 -3.494 7.506 1.00 0.00 C ATOM 538 C ASN A 35 -6.537 -2.619 6.261 1.00 0.00 C ATOM 539 O ASN A 35 -6.623 -3.118 5.149 1.00 0.00 O ATOM 540 CB ASN A 35 -8.256 -3.570 7.825 1.00 0.00 C ATOM 541 CG ASN A 35 -8.598 -4.771 8.698 1.00 0.00 C ATOM 542 OD1 ASN A 35 -8.935 -4.677 9.870 1.00 0.00 O ATOM 543 ND2 ASN A 35 -8.479 -5.901 8.002 1.00 0.00 N ATOM 0 H ASN A 35 -5.787 -1.945 8.467 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.375 -4.498 7.316 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.565 -2.655 8.331 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.821 -3.626 6.895 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.677 -6.797 8.447 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.190 -5.870 7.024 1.00 0.00 H new ATOM 550 N TRP A 36 -6.262 -1.307 6.486 1.00 0.00 N ATOM 551 CA TRP A 36 -6.030 -0.397 5.367 1.00 0.00 C ATOM 552 C TRP A 36 -4.845 0.530 5.702 1.00 0.00 C ATOM 553 O TRP A 36 -4.715 1.019 6.816 1.00 0.00 O ATOM 554 CB TRP A 36 -7.279 0.472 5.113 1.00 0.00 C ATOM 555 CG TRP A 36 -8.491 -0.384 4.806 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.243 -1.109 5.735 1.00 0.00 C ATOM 557 CD2 TRP A 36 -9.070 -0.663 3.515 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.206 -1.805 5.094 1.00 0.00 N ATOM 559 CE2 TRP A 36 -10.136 -1.560 3.732 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.785 -0.244 2.244 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.874 -2.014 2.678 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.540 -0.698 1.165 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.590 -1.586 1.382 1.00 0.00 C ATOM 0 H TRP A 36 -6.200 -0.879 7.410 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.813 -0.987 4.476 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.479 1.090 5.989 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.090 1.150 4.281 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.079 -1.112 6.802 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.884 -2.419 5.545 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.969 0.443 2.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.683 -2.709 2.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.312 -0.362 0.164 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.181 -1.941 0.551 1.00 0.00 H new ATOM 574 N TYR A 37 -4.001 0.715 4.668 1.00 0.00 N ATOM 575 CA TYR A 37 -2.818 1.571 4.723 1.00 0.00 C ATOM 576 C TYR A 37 -3.112 2.833 3.906 1.00 0.00 C ATOM 577 O TYR A 37 -3.750 2.753 2.868 1.00 0.00 O ATOM 578 CB TYR A 37 -1.637 0.888 4.010 1.00 0.00 C ATOM 579 CG TYR A 37 -1.108 -0.320 4.725 1.00 0.00 C ATOM 580 CD1 TYR A 37 -0.729 -0.229 6.056 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.957 -1.531 4.058 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.197 -1.319 6.724 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.429 -2.633 4.713 1.00 0.00 C ATOM 584 CZ TYR A 37 -0.055 -2.546 6.058 1.00 0.00 C ATOM 585 OH TYR A 37 0.462 -3.671 6.694 1.00 0.00 O ATOM 0 H TYR A 37 -4.131 0.264 3.762 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.582 1.779 5.767 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.951 0.596 3.008 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.830 1.611 3.893 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.851 0.707 6.580 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.253 -1.614 3.023 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.108 -1.225 7.756 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.306 -3.565 4.181 1.00 0.00 H new ATOM 0 HH TYR A 37 0.288 -4.465 6.147 1.00 0.00 H new ATOM 595 N LYS A 38 -2.596 3.981 4.393 1.00 0.00 N ATOM 596 CA LYS A 38 -2.790 5.217 3.640 1.00 0.00 C ATOM 597 C LYS A 38 -1.465 5.474 2.904 1.00 0.00 C ATOM 598 O LYS A 38 -0.542 6.075 3.441 1.00 0.00 O ATOM 599 CB LYS A 38 -3.180 6.381 4.551 1.00 0.00 C ATOM 600 CG LYS A 38 -3.805 7.505 3.711 1.00 0.00 C ATOM 601 CD LYS A 38 -3.717 8.880 4.359 1.00 0.00 C ATOM 602 CE LYS A 38 -4.730 9.128 5.481 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.478 8.320 6.666 1.00 0.00 N ATOM 0 H LYS A 38 -2.069 4.070 5.262 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.615 5.125 2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.887 6.042 5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.302 6.753 5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.309 7.539 2.741 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.853 7.268 3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.712 9.013 4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.856 9.639 3.589 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.708 10.183 5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.733 8.916 5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.804 8.832 7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.991 7.419 6.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.458 8.132 6.747 1.00 0.00 H new ATOM 617 N ALA A 39 -1.430 4.956 1.652 1.00 0.00 N ATOM 618 CA ALA A 39 -0.220 5.069 0.836 1.00 0.00 C ATOM 619 C ALA A 39 -0.369 6.144 -0.230 1.00 0.00 C ATOM 620 O ALA A 39 -1.373 6.842 -0.266 1.00 0.00 O ATOM 621 CB ALA A 39 0.099 3.700 0.227 1.00 0.00 C ATOM 0 H ALA A 39 -2.208 4.471 1.204 1.00 0.00 H new ATOM 0 HA ALA A 39 0.615 5.377 1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.999 3.774 -0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.260 2.975 1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.735 3.375 -0.395 1.00 0.00 H new ATOM 627 N GLU A 40 0.672 6.213 -1.100 1.00 0.00 N ATOM 628 CA GLU A 40 0.675 7.227 -2.149 1.00 0.00 C ATOM 629 C GLU A 40 0.869 6.583 -3.529 1.00 0.00 C ATOM 630 O GLU A 40 1.712 5.714 -3.735 1.00 0.00 O ATOM 631 CB GLU A 40 1.814 8.208 -1.839 1.00 0.00 C ATOM 632 CG GLU A 40 1.943 9.395 -2.807 1.00 0.00 C ATOM 633 CD GLU A 40 3.197 10.214 -2.451 1.00 0.00 C ATOM 634 OE1 GLU A 40 4.285 9.852 -2.895 1.00 0.00 O ATOM 635 OE2 GLU A 40 3.088 11.192 -1.714 1.00 0.00 O ATOM 0 H GLU A 40 1.485 5.597 -1.087 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.280 7.751 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.672 8.597 -0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.755 7.658 -1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.010 9.035 -3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.055 10.025 -2.747 1.00 0.00 H new ATOM 642 N LEU A 41 -0.010 7.105 -4.414 1.00 0.00 N ATOM 643 CA LEU A 41 -0.119 6.781 -5.831 1.00 0.00 C ATOM 644 C LEU A 41 -0.894 7.809 -6.629 1.00 0.00 C ATOM 645 O LEU A 41 -1.908 8.349 -6.207 1.00 0.00 O ATOM 646 CB LEU A 41 -1.024 5.563 -6.056 1.00 0.00 C ATOM 647 CG LEU A 41 -0.348 4.217 -6.055 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.443 3.166 -5.919 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.373 4.048 -7.394 1.00 0.00 C ATOM 0 H LEU A 41 -0.697 7.803 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 41 0.922 6.673 -6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.792 5.560 -5.282 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.534 5.688 -7.011 1.00 0.00 H new ATOM 0 HG LEU A 41 0.372 4.120 -5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.995 2.172 -5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.985 3.324 -4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.133 3.249 -6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.872 3.079 -7.419 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.351 4.104 -8.207 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.113 4.840 -7.511 1.00 0.00 H new ATOM 661 N ASN A 42 -0.367 7.934 -7.863 1.00 0.00 N ATOM 662 CA ASN A 42 -1.033 8.704 -8.897 1.00 0.00 C ATOM 663 C ASN A 42 -1.365 10.159 -8.506 1.00 0.00 C ATOM 664 O ASN A 42 -2.414 10.693 -8.849 1.00 0.00 O ATOM 665 CB ASN A 42 -2.263 7.817 -9.221 1.00 0.00 C ATOM 666 CG ASN A 42 -2.513 7.629 -10.713 1.00 0.00 C ATOM 667 OD1 ASN A 42 -2.901 8.533 -11.441 1.00 0.00 O ATOM 668 ND2 ASN A 42 -2.252 6.368 -11.095 1.00 0.00 N ATOM 0 H ASN A 42 0.514 7.509 -8.153 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.402 8.887 -9.767 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.125 6.839 -8.760 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.149 8.261 -8.767 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.374 6.095 -12.070 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.931 5.684 -10.410 1.00 0.00 H new ATOM 675 N GLY A 43 -0.413 10.751 -7.756 1.00 0.00 N ATOM 676 CA GLY A 43 -0.559 12.127 -7.289 1.00 0.00 C ATOM 677 C GLY A 43 -1.599 12.304 -6.167 1.00 0.00 C ATOM 678 O GLY A 43 -2.007 13.418 -5.865 1.00 0.00 O ATOM 0 H GLY A 43 0.453 10.296 -7.468 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.408 12.483 -6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.840 12.758 -8.133 1.00 0.00 H new ATOM 682 N LYS A 44 -2.007 11.156 -5.576 1.00 0.00 N ATOM 683 CA LYS A 44 -2.983 11.127 -4.504 1.00 0.00 C ATOM 684 C LYS A 44 -2.469 10.195 -3.391 1.00 0.00 C ATOM 685 O LYS A 44 -1.415 9.581 -3.491 1.00 0.00 O ATOM 686 CB LYS A 44 -4.309 10.609 -5.094 1.00 0.00 C ATOM 687 CG LYS A 44 -4.915 11.589 -6.111 1.00 0.00 C ATOM 688 CD LYS A 44 -6.375 11.271 -6.457 1.00 0.00 C ATOM 689 CE LYS A 44 -6.548 9.948 -7.211 1.00 0.00 C ATOM 690 NZ LYS A 44 -7.949 9.681 -7.524 1.00 0.00 N ATOM 0 H LYS A 44 -1.659 10.235 -5.841 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.140 12.117 -4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.138 9.647 -5.577 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.022 10.439 -4.287 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.855 12.601 -5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.319 11.571 -7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.959 11.235 -5.537 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.782 12.081 -7.062 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.969 9.977 -8.134 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.148 9.132 -6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.025 8.778 -8.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.498 9.628 -6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.324 10.447 -8.119 1.00 0.00 H new ATOM 704 N ASP A 45 -3.309 10.143 -2.342 1.00 0.00 N ATOM 705 CA ASP A 45 -3.072 9.314 -1.165 1.00 0.00 C ATOM 706 C ASP A 45 -4.447 8.769 -0.726 1.00 0.00 C ATOM 707 O ASP A 45 -5.443 9.483 -0.715 1.00 0.00 O ATOM 708 CB ASP A 45 -2.335 10.091 -0.057 1.00 0.00 C ATOM 709 CG ASP A 45 -3.146 11.256 0.556 1.00 0.00 C ATOM 710 OD1 ASP A 45 -3.591 12.130 -0.186 1.00 0.00 O ATOM 711 OD2 ASP A 45 -3.320 11.277 1.775 1.00 0.00 O ATOM 0 H ASP A 45 -4.174 10.681 -2.295 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.406 8.482 -1.393 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.064 9.396 0.738 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.405 10.487 -0.465 1.00 0.00 H new ATOM 716 N GLY A 46 -4.446 7.462 -0.403 1.00 0.00 N ATOM 717 CA GLY A 46 -5.707 6.826 -0.045 1.00 0.00 C ATOM 718 C GLY A 46 -5.486 5.459 0.569 1.00 0.00 C ATOM 719 O GLY A 46 -4.376 4.939 0.627 1.00 0.00 O ATOM 0 H GLY A 46 -3.624 6.858 -0.385 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.248 7.459 0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.332 6.730 -0.933 1.00 0.00 H new ATOM 723 N PHE A 47 -6.638 4.907 0.986 1.00 0.00 N ATOM 724 CA PHE A 47 -6.637 3.602 1.621 1.00 0.00 C ATOM 725 C PHE A 47 -6.548 2.460 0.592 1.00 0.00 C ATOM 726 O PHE A 47 -7.163 2.476 -0.469 1.00 0.00 O ATOM 727 CB PHE A 47 -7.908 3.504 2.464 1.00 0.00 C ATOM 728 CG PHE A 47 -7.846 4.476 3.611 1.00 0.00 C ATOM 729 CD1 PHE A 47 -7.021 4.235 4.706 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.595 5.642 3.574 1.00 0.00 C ATOM 731 CE1 PHE A 47 -6.942 5.156 5.742 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.508 6.570 4.598 1.00 0.00 C ATOM 733 CZ PHE A 47 -7.684 6.328 5.689 1.00 0.00 C ATOM 0 H PHE A 47 -7.556 5.341 0.893 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.755 3.496 2.252 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.781 3.715 1.846 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.024 2.489 2.844 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.439 3.326 4.750 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.253 5.828 2.738 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.303 4.960 6.590 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.082 7.483 4.548 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.621 7.048 6.492 1.00 0.00 H new ATOM 743 N ILE A 48 -5.717 1.480 1.005 1.00 0.00 N ATOM 744 CA ILE A 48 -5.456 0.271 0.232 1.00 0.00 C ATOM 745 C ILE A 48 -5.497 -0.893 1.245 1.00 0.00 C ATOM 746 O ILE A 48 -4.937 -0.772 2.324 1.00 0.00 O ATOM 747 CB ILE A 48 -4.107 0.370 -0.515 1.00 0.00 C ATOM 748 CG1 ILE A 48 -2.889 0.466 0.428 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.124 1.538 -1.517 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.544 0.535 -0.300 1.00 0.00 C ATOM 0 H ILE A 48 -5.211 1.516 1.890 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.199 0.116 -0.550 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.990 -0.565 -1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.997 1.351 1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.887 -0.398 1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.165 1.590 -2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.919 1.381 -2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.300 2.472 -0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.738 0.601 0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.412 -0.361 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.523 1.415 -0.943 1.00 0.00 H new ATOM 762 N PRO A 49 -6.181 -2.020 0.898 1.00 0.00 N ATOM 763 CA PRO A 49 -6.295 -3.152 1.816 1.00 0.00 C ATOM 764 C PRO A 49 -4.964 -3.868 2.045 1.00 0.00 C ATOM 765 O PRO A 49 -4.248 -4.133 1.090 1.00 0.00 O ATOM 766 CB PRO A 49 -7.287 -4.111 1.157 1.00 0.00 C ATOM 767 CG PRO A 49 -7.590 -3.567 -0.241 1.00 0.00 C ATOM 768 CD PRO A 49 -6.822 -2.255 -0.393 1.00 0.00 C ATOM 0 HA PRO A 49 -6.619 -2.805 2.797 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.867 -5.115 1.095 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.201 -4.183 1.747 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.286 -4.281 -1.006 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.660 -3.403 -0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.082 -2.325 -1.190 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.493 -1.436 -0.652 1.00 0.00 H new ATOM 776 N LYS A 50 -4.686 -4.223 3.324 1.00 0.00 N ATOM 777 CA LYS A 50 -3.403 -4.888 3.543 1.00 0.00 C ATOM 778 C LYS A 50 -3.333 -6.333 2.997 1.00 0.00 C ATOM 779 O LYS A 50 -2.235 -6.851 2.848 1.00 0.00 O ATOM 780 CB LYS A 50 -3.011 -4.860 5.012 1.00 0.00 C ATOM 781 CG LYS A 50 -4.082 -5.463 5.896 1.00 0.00 C ATOM 782 CD LYS A 50 -3.735 -5.500 7.392 1.00 0.00 C ATOM 783 CE LYS A 50 -2.653 -6.526 7.757 1.00 0.00 C ATOM 784 NZ LYS A 50 -1.286 -6.050 7.584 1.00 0.00 N ATOM 0 H LYS A 50 -5.277 -4.074 4.142 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.683 -4.310 2.963 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.078 -5.406 5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.825 -3.831 5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.004 -4.896 5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.282 -6.480 5.558 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.401 -4.510 7.702 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.639 -5.723 7.959 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.791 -6.827 8.796 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.794 -7.417 7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.787 -6.666 6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.301 -5.077 7.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.794 -6.068 8.500 1.00 0.00 H new ATOM 798 N ASN A 51 -4.496 -6.966 2.690 1.00 0.00 N ATOM 799 CA ASN A 51 -4.418 -8.328 2.127 1.00 0.00 C ATOM 800 C ASN A 51 -4.143 -8.290 0.608 1.00 0.00 C ATOM 801 O ASN A 51 -3.727 -9.284 0.023 1.00 0.00 O ATOM 802 CB ASN A 51 -5.565 -9.265 2.541 1.00 0.00 C ATOM 803 CG ASN A 51 -6.932 -8.598 2.600 1.00 0.00 C ATOM 804 OD1 ASN A 51 -7.370 -8.169 3.655 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.578 -8.543 1.432 1.00 0.00 N ATOM 0 H ASN A 51 -5.434 -6.584 2.813 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.552 -8.800 2.592 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.610 -10.097 1.838 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.338 -9.687 3.520 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.505 -8.120 1.381 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.145 -8.924 0.591 1.00 0.00 H new ATOM 812 N TYR A 52 -4.313 -7.080 0.021 1.00 0.00 N ATOM 813 CA TYR A 52 -4.026 -6.938 -1.406 1.00 0.00 C ATOM 814 C TYR A 52 -2.582 -6.461 -1.666 1.00 0.00 C ATOM 815 O TYR A 52 -2.212 -6.335 -2.824 1.00 0.00 O ATOM 816 CB TYR A 52 -4.975 -5.882 -2.002 1.00 0.00 C ATOM 817 CG TYR A 52 -6.247 -6.496 -2.507 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.197 -7.014 -1.643 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.474 -6.568 -3.873 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.346 -7.617 -2.135 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.610 -7.169 -4.384 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.569 -7.710 -3.518 1.00 0.00 C ATOM 823 OH TYR A 52 -9.707 -8.360 -3.999 1.00 0.00 O ATOM 0 H TYR A 52 -4.631 -6.234 0.494 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.161 -7.918 -1.864 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.209 -5.134 -1.244 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.473 -5.362 -2.818 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.042 -6.948 -0.576 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.748 -6.146 -4.552 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.076 -8.019 -1.447 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.758 -7.221 -5.453 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.981 -9.054 -3.363 1.00 0.00 H new ATOM 833 N ILE A 53 -1.798 -6.197 -0.586 1.00 0.00 N ATOM 834 CA ILE A 53 -0.406 -5.740 -0.772 1.00 0.00 C ATOM 835 C ILE A 53 0.599 -6.481 0.149 1.00 0.00 C ATOM 836 O ILE A 53 0.255 -7.038 1.182 1.00 0.00 O ATOM 837 CB ILE A 53 -0.299 -4.189 -0.640 1.00 0.00 C ATOM 838 CG1 ILE A 53 0.754 -3.706 0.387 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.644 -3.509 -0.346 1.00 0.00 C ATOM 840 CD1 ILE A 53 0.932 -2.215 0.405 1.00 0.00 C ATOM 0 H ILE A 53 -2.097 -6.290 0.385 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.119 -6.002 -1.790 1.00 0.00 H new ATOM 0 HB ILE A 53 0.040 -3.882 -1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.460 -4.041 1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.712 -4.176 0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.497 -2.432 -0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.343 -3.721 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.047 -3.890 0.592 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.684 -1.947 1.147 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.256 -1.875 -0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.015 -1.739 0.660 1.00 0.00 H new ATOM 852 N GLU A 54 1.866 -6.398 -0.331 1.00 0.00 N ATOM 853 CA GLU A 54 3.073 -6.891 0.323 1.00 0.00 C ATOM 854 C GLU A 54 3.807 -5.628 0.837 1.00 0.00 C ATOM 855 O GLU A 54 4.180 -4.759 0.059 1.00 0.00 O ATOM 856 CB GLU A 54 3.951 -7.632 -0.698 1.00 0.00 C ATOM 857 CG GLU A 54 5.304 -8.076 -0.117 1.00 0.00 C ATOM 858 CD GLU A 54 6.083 -8.897 -1.154 1.00 0.00 C ATOM 859 OE1 GLU A 54 6.674 -8.294 -2.050 1.00 0.00 O ATOM 860 OE2 GLU A 54 6.084 -10.125 -1.058 1.00 0.00 O ATOM 0 H GLU A 54 2.067 -5.961 -1.230 1.00 0.00 H new ATOM 0 HA GLU A 54 2.848 -7.586 1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.414 -8.507 -1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.126 -6.984 -1.557 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.886 -7.202 0.177 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.144 -8.670 0.783 1.00 0.00 H new ATOM 867 N MET A 55 3.991 -5.569 2.167 1.00 0.00 N ATOM 868 CA MET A 55 4.643 -4.417 2.794 1.00 0.00 C ATOM 869 C MET A 55 6.163 -4.600 2.840 1.00 0.00 C ATOM 870 O MET A 55 6.732 -5.475 2.202 1.00 0.00 O ATOM 871 CB MET A 55 4.243 -4.403 4.283 1.00 0.00 C ATOM 872 CG MET A 55 2.741 -4.527 4.553 1.00 0.00 C ATOM 873 SD MET A 55 2.076 -6.194 4.366 1.00 0.00 S ATOM 874 CE MET A 55 2.610 -6.891 5.939 1.00 0.00 C ATOM 0 H MET A 55 3.700 -6.298 2.818 1.00 0.00 H new ATOM 0 HA MET A 55 4.358 -3.528 2.231 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.756 -5.221 4.789 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.602 -3.476 4.731 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.538 -4.181 5.567 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.208 -3.860 3.876 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.003 -7.895 5.778 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.389 -6.262 6.370 1.00 0.00 H new ATOM 0 HE3 MET A 55 1.762 -6.939 6.622 1.00 0.00 H new ATOM 884 N LYS A 56 6.728 -3.643 3.623 1.00 0.00 N ATOM 885 CA LYS A 56 8.082 -3.451 4.112 1.00 0.00 C ATOM 886 C LYS A 56 9.190 -3.757 3.102 1.00 0.00 C ATOM 887 O LYS A 56 9.703 -2.842 2.465 1.00 0.00 O ATOM 888 CB LYS A 56 8.232 -3.873 5.593 1.00 0.00 C ATOM 889 CG LYS A 56 7.100 -3.373 6.503 1.00 0.00 C ATOM 890 CD LYS A 56 7.397 -3.608 7.988 1.00 0.00 C ATOM 891 CE LYS A 56 6.282 -3.074 8.892 1.00 0.00 C ATOM 892 NZ LYS A 56 6.521 -3.385 10.297 1.00 0.00 N ATOM 0 H LYS A 56 6.137 -2.886 3.965 1.00 0.00 H new ATOM 0 HA LYS A 56 8.279 -2.381 4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.274 -4.961 5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.182 -3.497 5.973 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.943 -2.308 6.331 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.172 -3.880 6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.527 -4.675 8.166 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.338 -3.124 8.250 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.201 -1.994 8.768 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.328 -3.502 8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.743 -3.006 10.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.573 -4.416 10.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.418 -2.955 10.600 1.00 0.00 H new ATOM 906 N PRO A 57 9.533 -5.090 3.007 1.00 0.00 N ATOM 907 CA PRO A 57 10.560 -5.628 2.116 1.00 0.00 C ATOM 908 C PRO A 57 11.062 -4.758 0.946 1.00 0.00 C ATOM 909 O PRO A 57 10.324 -4.342 0.062 1.00 0.00 O ATOM 910 CB PRO A 57 9.939 -6.956 1.662 1.00 0.00 C ATOM 911 CG PRO A 57 9.076 -7.422 2.843 1.00 0.00 C ATOM 912 CD PRO A 57 8.893 -6.195 3.750 1.00 0.00 C ATOM 0 HA PRO A 57 11.504 -5.709 2.654 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.337 -6.822 0.763 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.709 -7.690 1.424 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.113 -7.798 2.497 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.561 -8.236 3.382 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.838 -5.991 3.935 1.00 0.00 H new ATOM 0 HD3 PRO A 57 9.363 -6.345 4.722 1.00 0.00 H new TER 920 PRO A 57 HETATM 921 C ACE B 0 -6.289 -15.263 -8.060 1.00 0.00 C HETATM 922 O ACE B 0 -5.852 -15.056 -6.937 1.00 0.00 O HETATM 923 CH3 ACE B 0 -5.365 -15.661 -9.207 1.00 0.00 C HETATM 0 H1 ACE B 0 -5.665 -16.635 -9.595 1.00 0.00 H new HETATM 0 H2 ACE B 0 -5.431 -14.918 -10.002 1.00 0.00 H new HETATM 0 H3 ACE B 0 -4.338 -15.715 -8.845 1.00 0.00 H new ATOM 927 N VAL B 1 -7.582 -15.161 -8.453 1.00 0.00 N ATOM 928 CA VAL B 1 -8.749 -14.806 -7.634 1.00 0.00 C ATOM 929 C VAL B 1 -8.356 -14.102 -6.309 1.00 0.00 C ATOM 930 O VAL B 1 -8.251 -14.733 -5.263 1.00 0.00 O ATOM 931 CB VAL B 1 -9.614 -16.064 -7.433 1.00 0.00 C ATOM 932 CG1 VAL B 1 -10.818 -15.826 -6.505 1.00 0.00 C ATOM 933 CG2 VAL B 1 -10.123 -16.599 -8.782 1.00 0.00 C ATOM 0 H VAL B 1 -7.847 -15.339 -9.422 1.00 0.00 H new ATOM 0 HA VAL B 1 -9.347 -14.062 -8.160 1.00 0.00 H new ATOM 0 HB VAL B 1 -8.964 -16.798 -6.957 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -11.388 -16.750 -6.404 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -10.464 -15.509 -5.524 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -11.456 -15.051 -6.929 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -10.732 -17.488 -8.615 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -10.725 -15.834 -9.273 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -9.274 -16.855 -9.416 1.00 0.00 H new ATOM 943 N PRO B 2 -8.125 -12.759 -6.406 1.00 0.00 N ATOM 944 CA PRO B 2 -7.729 -11.951 -5.255 1.00 0.00 C ATOM 945 C PRO B 2 -8.612 -12.110 -3.980 1.00 0.00 C ATOM 946 O PRO B 2 -9.799 -12.404 -4.065 1.00 0.00 O ATOM 947 CB PRO B 2 -7.818 -10.519 -5.785 1.00 0.00 C ATOM 948 CG PRO B 2 -7.647 -10.602 -7.293 1.00 0.00 C ATOM 949 CD PRO B 2 -8.186 -11.982 -7.653 1.00 0.00 C ATOM 0 HA PRO B 2 -6.744 -12.260 -4.907 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.777 -10.070 -5.528 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -7.044 -9.893 -5.341 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.201 -9.813 -7.801 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -6.602 -10.494 -7.582 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.207 -11.920 -8.028 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -7.587 -12.447 -8.436 1.00 0.00 H new ATOM 957 N PRO B 3 -7.962 -11.899 -2.796 1.00 0.00 N ATOM 958 CA PRO B 3 -8.599 -11.982 -1.477 1.00 0.00 C ATOM 959 C PRO B 3 -9.881 -11.145 -1.257 1.00 0.00 C ATOM 960 O PRO B 3 -10.150 -10.192 -1.973 1.00 0.00 O ATOM 961 CB PRO B 3 -7.531 -11.353 -0.555 1.00 0.00 C ATOM 962 CG PRO B 3 -6.189 -11.605 -1.227 1.00 0.00 C ATOM 963 CD PRO B 3 -6.520 -11.659 -2.712 1.00 0.00 C ATOM 0 HA PRO B 3 -8.904 -13.015 -1.312 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -7.708 -10.285 -0.427 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.560 -11.803 0.438 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.477 -10.810 -1.006 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -5.741 -12.538 -0.885 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.250 -10.725 -3.206 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -5.963 -12.454 -3.207 1.00 0.00 H new ATOM 971 N PRO B 4 -10.658 -11.534 -0.204 1.00 0.00 N ATOM 972 CA PRO B 4 -11.848 -10.786 0.206 1.00 0.00 C ATOM 973 C PRO B 4 -11.343 -9.586 1.014 1.00 0.00 C ATOM 974 O PRO B 4 -10.622 -9.703 1.997 1.00 0.00 O ATOM 975 CB PRO B 4 -12.615 -11.764 1.098 1.00 0.00 C ATOM 976 CG PRO B 4 -11.537 -12.694 1.668 1.00 0.00 C ATOM 977 CD PRO B 4 -10.452 -12.747 0.588 1.00 0.00 C ATOM 0 HA PRO B 4 -12.477 -10.426 -0.608 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.148 -11.242 1.892 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.358 -12.321 0.528 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.141 -12.310 2.608 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -11.939 -13.686 1.873 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.455 -12.768 1.029 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.548 -13.642 -0.026 1.00 0.00 H new ATOM 985 N VAL B 5 -11.755 -8.429 0.488 1.00 0.00 N ATOM 986 CA VAL B 5 -11.345 -7.159 1.048 1.00 0.00 C ATOM 987 C VAL B 5 -11.960 -6.922 2.447 1.00 0.00 C ATOM 988 O VAL B 5 -13.124 -7.236 2.668 1.00 0.00 O ATOM 989 CB VAL B 5 -11.693 -6.040 0.089 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.806 -4.814 0.318 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.561 -6.388 -1.378 1.00 0.00 C ATOM 0 H VAL B 5 -12.370 -8.356 -0.322 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.264 -7.176 1.185 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.743 -5.843 0.307 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -11.081 -4.029 -0.386 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -10.942 -4.452 1.337 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.762 -5.087 0.167 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.832 -5.523 -1.983 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.531 -6.673 -1.593 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.225 -7.219 -1.616 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.148 -6.361 3.387 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.630 -6.065 4.734 1.00 0.00 C ATOM 1003 C PRO B 6 -12.793 -5.052 4.779 1.00 0.00 C ATOM 1004 O PRO B 6 -12.999 -4.278 3.855 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.426 -5.406 5.427 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.193 -5.768 4.608 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.725 -6.061 3.205 1.00 0.00 C ATOM 0 HA PRO B 6 -12.003 -6.981 5.193 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.553 -4.325 5.477 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.327 -5.763 6.452 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.473 -4.950 4.595 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.682 -6.635 5.026 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.585 -5.206 2.544 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.200 -6.903 2.753 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.557 -5.083 5.899 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.641 -4.127 6.097 1.00 0.00 C ATOM 1017 C PRO B 7 -14.053 -2.809 6.647 1.00 0.00 C ATOM 1018 O PRO B 7 -13.554 -2.761 7.766 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.503 -4.796 7.175 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.531 -5.684 7.965 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.476 -6.105 6.943 1.00 0.00 C ATOM 0 HA PRO B 7 -15.194 -3.892 5.188 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -15.974 -4.055 7.820 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -16.304 -5.386 6.730 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -14.083 -5.139 8.796 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -15.040 -6.550 8.389 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.482 -6.140 7.389 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -13.682 -7.098 6.544 1.00 0.00 H new ATOM 1029 N ARG B 8 -14.123 -1.755 5.805 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.607 -0.446 6.223 1.00 0.00 C ATOM 1031 C ARG B 8 -14.695 0.292 7.018 1.00 0.00 C ATOM 1032 O ARG B 8 -15.870 -0.056 6.979 1.00 0.00 O ATOM 1033 CB ARG B 8 -13.024 0.372 5.056 1.00 0.00 C ATOM 1034 CG ARG B 8 -13.827 0.401 3.752 1.00 0.00 C ATOM 1035 CD ARG B 8 -15.100 1.239 3.850 1.00 0.00 C ATOM 1036 NE ARG B 8 -15.552 1.564 2.506 1.00 0.00 N ATOM 1037 CZ ARG B 8 -16.777 2.045 2.227 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -17.696 2.158 3.177 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -17.059 2.410 0.984 1.00 0.00 N ATOM 0 H ARG B 8 -14.518 -1.786 4.865 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.752 -0.596 6.882 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -12.894 1.400 5.396 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -12.031 -0.018 4.833 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -13.199 0.798 2.954 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -14.091 -0.619 3.472 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -15.874 0.689 4.386 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -14.909 2.151 4.415 1.00 0.00 H new ATOM 0 HE ARG B 8 -14.904 1.419 1.732 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -17.478 1.879 4.133 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -18.621 2.524 2.951 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -16.351 2.324 0.254 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -17.984 2.776 0.757 1.00 0.00 H new ATOM 1053 N ARG B 9 -14.215 1.316 7.755 1.00 0.00 N ATOM 1054 CA ARG B 9 -15.044 2.133 8.613 1.00 0.00 C ATOM 1055 C ARG B 9 -15.306 1.382 9.928 1.00 0.00 C ATOM 1056 O ARG B 9 -16.386 0.868 10.195 1.00 0.00 O ATOM 1057 CB ARG B 9 -16.294 2.622 7.880 1.00 0.00 C ATOM 1058 CG ARG B 9 -16.685 3.982 8.421 1.00 0.00 C ATOM 1059 CD ARG B 9 -17.933 4.546 7.737 1.00 0.00 C ATOM 1060 NE ARG B 9 -18.415 5.728 8.441 1.00 0.00 N ATOM 1061 CZ ARG B 9 -19.120 5.642 9.590 1.00 0.00 C ATOM 1062 NH1 ARG B 9 -19.391 4.464 10.139 1.00 0.00 N ATOM 1063 NH2 ARG B 9 -19.545 6.751 10.181 1.00 0.00 N ATOM 0 H ARG B 9 -13.232 1.586 7.759 1.00 0.00 H new ATOM 0 HA ARG B 9 -14.525 3.052 8.885 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -16.102 2.684 6.809 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -17.111 1.914 8.016 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -16.865 3.905 9.493 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -15.855 4.676 8.286 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -17.703 4.801 6.702 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -18.715 3.787 7.712 1.00 0.00 H new ATOM 0 HE ARG B 9 -18.213 6.650 8.053 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -19.066 3.606 9.693 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -19.925 4.417 11.007 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -19.339 7.660 9.768 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -20.078 6.694 11.049 1.00 0.00 H new ATOM 1077 N ARG B 10 -14.202 1.389 10.714 1.00 0.00 N ATOM 1078 CA ARG B 10 -14.036 0.774 12.034 1.00 0.00 C ATOM 1079 C ARG B 10 -15.321 0.793 12.877 1.00 0.00 C ATOM 1080 O ARG B 10 -15.814 -0.213 13.371 1.00 0.00 O ATOM 1081 CB ARG B 10 -12.873 1.464 12.780 1.00 0.00 C ATOM 1082 CG ARG B 10 -11.516 1.389 12.057 1.00 0.00 C ATOM 1083 CD ARG B 10 -10.839 0.008 12.103 1.00 0.00 C ATOM 1084 NE ARG B 10 -10.598 -0.418 13.481 1.00 0.00 N ATOM 1085 CZ ARG B 10 -9.623 0.105 14.254 1.00 0.00 C ATOM 1086 NH1 ARG B 10 -8.798 1.031 13.782 1.00 0.00 N ATOM 1087 NH2 ARG B 10 -9.492 -0.310 15.508 1.00 0.00 N ATOM 0 H ARG B 10 -13.349 1.860 10.412 1.00 0.00 H new ATOM 0 HA ARG B 10 -13.801 -0.279 11.877 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -13.129 2.512 12.936 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -12.771 1.010 13.766 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -11.659 1.674 11.015 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -10.843 2.124 12.499 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -11.468 -0.725 11.598 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -9.894 0.045 11.561 1.00 0.00 H new ATOM 0 HE ARG B 10 -11.195 -1.145 13.877 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -8.895 1.358 12.821 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -8.067 1.415 14.380 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -10.125 -1.018 15.880 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -8.758 0.079 16.100 1.00 0.00 H new HETATM 1101 N NH2 B 11 -15.789 2.028 12.992 1.00 0.00 N TER 1104 NH2 B 11