USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 889 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 86 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 89 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 5 THR OG1 : rot 49:sc= 0.275 USER MOD Set 2.2: A 6 GLN : amide:sc= -0.389 K(o=-0.11,f=-2.4!) USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0181 (180deg=-0.281) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.0251 (180deg=-0.358) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -166:sc= -0.0207 (180deg=-0.27) USER MOD Single : A 29 LYS NZ :NH3+ -147:sc= 0.676 (180deg=-0.622) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.061 USER MOD Single : A 58 ASN : amide:sc= -0.011 K(o=-0.011,f=-2.5) USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= 1.22 (180deg=1.11) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 102 LYS NZ :NH3+ -178:sc= 0.854 (180deg=0.721) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0115 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -179:sc= 1.1 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.130 1.841 3.166 1.00 0.00 N ATOM 2 CA MET A 1 5.948 1.360 1.783 1.00 0.00 C ATOM 3 C MET A 1 6.150 2.502 0.791 1.00 0.00 C ATOM 4 O MET A 1 6.066 3.673 1.166 1.00 0.00 O ATOM 5 CB MET A 1 4.559 0.739 1.588 1.00 0.00 C ATOM 6 CG MET A 1 4.386 -0.505 2.456 1.00 0.00 C ATOM 7 SD MET A 1 2.764 -1.303 2.313 1.00 0.00 S ATOM 8 CE MET A 1 2.840 -1.868 0.595 1.00 0.00 C ATOM 0 H1 MET A 1 6.813 1.231 3.659 1.00 0.00 H new ATOM 0 H2 MET A 1 6.487 2.818 3.150 1.00 0.00 H new ATOM 0 H3 MET A 1 5.218 1.814 3.666 1.00 0.00 H new ATOM 0 HA MET A 1 6.696 0.589 1.599 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.791 1.471 1.839 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.418 0.477 0.539 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.157 -1.228 2.190 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.551 -0.231 3.498 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.041 -2.587 0.413 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.720 -1.016 -0.074 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.804 -2.342 0.410 1.00 0.00 H new ATOM 20 N SER A 2 6.415 2.162 -0.471 1.00 0.00 N ATOM 21 CA SER A 2 6.640 3.137 -1.533 1.00 0.00 C ATOM 22 C SER A 2 5.999 2.659 -2.834 1.00 0.00 C ATOM 23 O SER A 2 5.791 1.460 -3.022 1.00 0.00 O ATOM 24 CB SER A 2 8.139 3.359 -1.733 1.00 0.00 C ATOM 25 OG SER A 2 8.727 3.835 -0.539 1.00 0.00 O ATOM 0 H SER A 2 6.480 1.194 -0.785 1.00 0.00 H new ATOM 0 HA SER A 2 6.180 4.082 -1.245 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.615 2.426 -2.034 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.303 4.075 -2.538 1.00 0.00 H new ATOM 0 HG SER A 2 9.687 3.972 -0.679 1.00 0.00 H new ATOM 31 N ALA A 3 5.695 3.600 -3.731 1.00 0.00 N ATOM 32 CA ALA A 3 5.059 3.288 -5.005 1.00 0.00 C ATOM 33 C ALA A 3 5.592 4.152 -6.146 1.00 0.00 C ATOM 34 O ALA A 3 5.453 3.783 -7.310 1.00 0.00 O ATOM 35 CB ALA A 3 3.559 3.521 -4.858 1.00 0.00 C ATOM 0 H ALA A 3 5.883 4.593 -3.592 1.00 0.00 H new ATOM 0 HA ALA A 3 5.280 2.250 -5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.061 3.294 -5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.165 2.874 -4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.377 4.563 -4.594 1.00 0.00 H new ATOM 41 N LEU A 4 6.196 5.295 -5.808 1.00 0.00 N ATOM 42 CA LEU A 4 6.730 6.245 -6.774 1.00 0.00 C ATOM 43 C LEU A 4 5.732 6.629 -7.871 1.00 0.00 C ATOM 44 O LEU A 4 6.145 7.025 -8.960 1.00 0.00 O ATOM 45 CB LEU A 4 8.057 5.733 -7.343 1.00 0.00 C ATOM 46 CG LEU A 4 9.114 5.520 -6.259 1.00 0.00 C ATOM 47 CD1 LEU A 4 10.379 4.924 -6.865 1.00 0.00 C ATOM 48 CD2 LEU A 4 9.519 6.856 -5.648 1.00 0.00 C ATOM 0 H LEU A 4 6.327 5.586 -4.839 1.00 0.00 H new ATOM 0 HA LEU A 4 6.922 7.175 -6.238 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.885 4.794 -7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.433 6.445 -8.078 1.00 0.00 H new ATOM 0 HG LEU A 4 8.684 4.856 -5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.123 4.778 -6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 4 10.144 3.965 -7.327 1.00 0.00 H new ATOM 0 HD13 LEU A 4 10.775 5.603 -7.620 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.272 6.690 -4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.930 7.501 -6.424 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.645 7.333 -5.204 1.00 0.00 H new ATOM 60 N THR A 5 4.427 6.525 -7.607 1.00 0.00 N ATOM 61 CA THR A 5 3.413 6.900 -8.584 1.00 0.00 C ATOM 62 C THR A 5 3.036 8.371 -8.450 1.00 0.00 C ATOM 63 O THR A 5 2.320 8.884 -9.304 1.00 0.00 O ATOM 64 CB THR A 5 2.168 6.019 -8.454 1.00 0.00 C ATOM 65 OG1 THR A 5 2.049 5.496 -7.150 1.00 0.00 O ATOM 66 CG2 THR A 5 2.241 4.871 -9.460 1.00 0.00 C ATOM 0 H THR A 5 4.052 6.183 -6.722 1.00 0.00 H new ATOM 0 HA THR A 5 3.841 6.745 -9.574 1.00 0.00 H new ATOM 0 HB THR A 5 1.292 6.635 -8.659 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.162 6.218 -6.497 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.353 4.246 -9.364 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.293 5.276 -10.471 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.130 4.271 -9.264 1.00 0.00 H new ATOM 74 N GLN A 6 3.509 9.050 -7.400 1.00 0.00 N ATOM 75 CA GLN A 6 3.208 10.453 -7.183 1.00 0.00 C ATOM 76 C GLN A 6 4.468 11.303 -7.182 1.00 0.00 C ATOM 77 O GLN A 6 5.345 11.107 -6.341 1.00 0.00 O ATOM 78 CB GLN A 6 2.468 10.617 -5.859 1.00 0.00 C ATOM 79 CG GLN A 6 1.090 9.959 -5.928 1.00 0.00 C ATOM 80 CD GLN A 6 1.108 8.462 -5.641 1.00 0.00 C ATOM 81 OE1 GLN A 6 2.111 7.900 -5.212 1.00 0.00 O ATOM 82 NE2 GLN A 6 -0.020 7.802 -5.885 1.00 0.00 N ATOM 0 H GLN A 6 4.108 8.637 -6.685 1.00 0.00 H new ATOM 0 HA GLN A 6 2.578 10.796 -8.004 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.050 10.170 -5.053 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.360 11.676 -5.625 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.428 10.448 -5.214 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.668 10.124 -6.919 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.836 8.300 -6.241 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.070 6.797 -5.716 1.00 0.00 H new ATOM 91 N ILE A 7 4.542 12.246 -8.125 1.00 0.00 N ATOM 92 CA ILE A 7 5.706 13.103 -8.305 1.00 0.00 C ATOM 93 C ILE A 7 5.312 14.561 -8.104 1.00 0.00 C ATOM 94 O ILE A 7 4.320 15.019 -8.678 1.00 0.00 O ATOM 95 CB ILE A 7 6.311 12.902 -9.703 1.00 0.00 C ATOM 96 CG1 ILE A 7 6.320 11.435 -10.146 1.00 0.00 C ATOM 97 CG2 ILE A 7 7.735 13.475 -9.725 1.00 0.00 C ATOM 98 CD1 ILE A 7 7.091 10.528 -9.188 1.00 0.00 C ATOM 0 H ILE A 7 3.789 12.434 -8.787 1.00 0.00 H new ATOM 0 HA ILE A 7 6.458 12.834 -7.564 1.00 0.00 H new ATOM 0 HB ILE A 7 5.678 13.433 -10.414 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.293 11.079 -10.227 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.762 11.364 -11.140 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.168 13.335 -10.715 1.00 0.00 H new ATOM 0 HG22 ILE A 7 7.703 14.539 -9.491 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.346 12.959 -8.985 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.062 9.502 -9.555 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.127 10.862 -9.126 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.635 10.572 -8.199 1.00 0.00 H new ATOM 110 N LEU A 8 6.080 15.290 -7.293 1.00 0.00 N ATOM 111 CA LEU A 8 5.861 16.709 -7.048 1.00 0.00 C ATOM 112 C LEU A 8 6.802 17.511 -7.953 1.00 0.00 C ATOM 113 O LEU A 8 8.000 17.234 -7.989 1.00 0.00 O ATOM 114 CB LEU A 8 6.107 16.995 -5.561 1.00 0.00 C ATOM 115 CG LEU A 8 5.316 18.181 -5.003 1.00 0.00 C ATOM 116 CD1 LEU A 8 5.777 18.445 -3.571 1.00 0.00 C ATOM 117 CD2 LEU A 8 5.496 19.463 -5.805 1.00 0.00 C ATOM 0 H LEU A 8 6.877 14.905 -6.786 1.00 0.00 H new ATOM 0 HA LEU A 8 4.837 17.002 -7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.855 16.104 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.170 17.181 -5.411 1.00 0.00 H new ATOM 0 HG LEU A 8 4.261 17.911 -5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.222 19.288 -3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.596 17.560 -2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.842 18.676 -3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.907 20.261 -5.353 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.549 19.746 -5.808 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.161 19.301 -6.830 1.00 0.00 H new ATOM 129 N ILE A 9 6.276 18.499 -8.678 1.00 0.00 N ATOM 130 CA ILE A 9 7.074 19.337 -9.563 1.00 0.00 C ATOM 131 C ILE A 9 7.409 20.650 -8.862 1.00 0.00 C ATOM 132 O ILE A 9 6.542 21.262 -8.243 1.00 0.00 O ATOM 133 CB ILE A 9 6.311 19.570 -10.875 1.00 0.00 C ATOM 134 CG1 ILE A 9 6.021 18.225 -11.562 1.00 0.00 C ATOM 135 CG2 ILE A 9 7.128 20.468 -11.811 1.00 0.00 C ATOM 136 CD1 ILE A 9 5.104 18.390 -12.774 1.00 0.00 C ATOM 0 H ILE A 9 5.284 18.738 -8.666 1.00 0.00 H new ATOM 0 HA ILE A 9 8.013 18.839 -9.805 1.00 0.00 H new ATOM 0 HB ILE A 9 5.367 20.064 -10.647 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.959 17.768 -11.876 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.559 17.544 -10.847 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.576 20.625 -12.738 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.308 21.428 -11.328 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.082 19.989 -12.034 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.925 17.416 -13.230 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.155 18.822 -12.456 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.577 19.049 -13.501 1.00 0.00 H new ATOM 148 N VAL A 10 8.668 21.082 -8.962 1.00 0.00 N ATOM 149 CA VAL A 10 9.107 22.345 -8.384 1.00 0.00 C ATOM 150 C VAL A 10 9.904 23.108 -9.433 1.00 0.00 C ATOM 151 O VAL A 10 10.865 22.574 -9.984 1.00 0.00 O ATOM 152 CB VAL A 10 9.971 22.099 -7.141 1.00 0.00 C ATOM 153 CG1 VAL A 10 10.291 23.427 -6.456 1.00 0.00 C ATOM 154 CG2 VAL A 10 9.272 21.175 -6.144 1.00 0.00 C ATOM 0 H VAL A 10 9.405 20.567 -9.444 1.00 0.00 H new ATOM 0 HA VAL A 10 8.238 22.927 -8.079 1.00 0.00 H new ATOM 0 HB VAL A 10 10.892 21.617 -7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.905 23.243 -5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.833 24.072 -7.148 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.363 23.915 -6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.914 21.024 -5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.333 21.627 -5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.070 20.214 -6.618 1.00 0.00 H new ATOM 164 N GLU A 11 9.512 24.353 -9.714 1.00 0.00 N ATOM 165 CA GLU A 11 10.153 25.141 -10.756 1.00 0.00 C ATOM 166 C GLU A 11 10.127 26.636 -10.454 1.00 0.00 C ATOM 167 O GLU A 11 9.356 27.105 -9.615 1.00 0.00 O ATOM 168 CB GLU A 11 9.514 24.829 -12.116 1.00 0.00 C ATOM 169 CG GLU A 11 7.982 24.867 -12.122 1.00 0.00 C ATOM 170 CD GLU A 11 7.410 26.264 -11.865 1.00 0.00 C ATOM 171 OE1 GLU A 11 6.464 26.360 -11.052 1.00 0.00 O ATOM 172 OE2 GLU A 11 7.920 27.225 -12.484 1.00 0.00 O ATOM 0 H GLU A 11 8.752 24.833 -9.231 1.00 0.00 H new ATOM 0 HA GLU A 11 11.205 24.858 -10.790 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.885 25.544 -12.850 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.842 23.841 -12.439 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.620 24.505 -13.084 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.605 24.182 -11.362 1.00 0.00 H new ATOM 179 N ASP A 12 10.985 27.378 -11.157 1.00 0.00 N ATOM 180 CA ASP A 12 11.060 28.831 -11.088 1.00 0.00 C ATOM 181 C ASP A 12 10.874 29.431 -12.489 1.00 0.00 C ATOM 182 O ASP A 12 11.114 30.618 -12.709 1.00 0.00 O ATOM 183 CB ASP A 12 12.389 29.240 -10.447 1.00 0.00 C ATOM 184 CG ASP A 12 12.450 30.737 -10.152 1.00 0.00 C ATOM 185 OD1 ASP A 12 13.442 31.370 -10.578 1.00 0.00 O ATOM 186 OD2 ASP A 12 11.506 31.238 -9.500 1.00 0.00 O ATOM 0 H ASP A 12 11.661 26.972 -11.804 1.00 0.00 H new ATOM 0 HA ASP A 12 10.257 29.223 -10.463 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.531 28.683 -9.521 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.210 28.968 -11.111 1.00 0.00 H new ATOM 191 N GLU A 13 10.444 28.597 -13.438 1.00 0.00 N ATOM 192 CA GLU A 13 10.196 28.970 -14.820 1.00 0.00 C ATOM 193 C GLU A 13 8.999 28.158 -15.320 1.00 0.00 C ATOM 194 O GLU A 13 9.104 26.936 -15.429 1.00 0.00 O ATOM 195 CB GLU A 13 11.453 28.660 -15.637 1.00 0.00 C ATOM 196 CG GLU A 13 11.298 29.056 -17.109 1.00 0.00 C ATOM 197 CD GLU A 13 11.171 30.572 -17.273 1.00 0.00 C ATOM 198 OE1 GLU A 13 10.114 31.009 -17.779 1.00 0.00 O ATOM 199 OE2 GLU A 13 12.129 31.281 -16.895 1.00 0.00 O ATOM 0 H GLU A 13 10.254 27.612 -13.253 1.00 0.00 H new ATOM 0 HA GLU A 13 9.971 30.032 -14.918 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.303 29.190 -15.208 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.674 27.595 -15.570 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.158 28.699 -17.675 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.417 28.569 -17.527 1.00 0.00 H new ATOM 206 N PRO A 14 7.861 28.803 -15.626 1.00 0.00 N ATOM 207 CA PRO A 14 6.628 28.137 -16.031 1.00 0.00 C ATOM 208 C PRO A 14 6.775 27.195 -17.224 1.00 0.00 C ATOM 209 O PRO A 14 5.899 26.365 -17.461 1.00 0.00 O ATOM 210 CB PRO A 14 5.651 29.269 -16.359 1.00 0.00 C ATOM 211 CG PRO A 14 6.147 30.424 -15.498 1.00 0.00 C ATOM 212 CD PRO A 14 7.658 30.236 -15.548 1.00 0.00 C ATOM 0 HA PRO A 14 6.287 27.487 -15.225 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.670 29.521 -17.419 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.624 28.997 -16.114 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.843 31.391 -15.899 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.763 30.367 -14.479 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.089 30.742 -16.412 1.00 0.00 H new ATOM 0 HD3 PRO A 14 8.136 30.654 -14.662 1.00 0.00 H new ATOM 220 N LEU A 15 7.869 27.302 -17.985 1.00 0.00 N ATOM 221 CA LEU A 15 8.092 26.436 -19.135 1.00 0.00 C ATOM 222 C LEU A 15 8.469 25.026 -18.683 1.00 0.00 C ATOM 223 O LEU A 15 8.284 24.069 -19.433 1.00 0.00 O ATOM 224 CB LEU A 15 9.198 27.031 -20.011 1.00 0.00 C ATOM 225 CG LEU A 15 8.856 28.438 -20.517 1.00 0.00 C ATOM 226 CD1 LEU A 15 10.013 28.956 -21.368 1.00 0.00 C ATOM 227 CD2 LEU A 15 7.585 28.436 -21.365 1.00 0.00 C ATOM 0 H LEU A 15 8.611 27.982 -17.821 1.00 0.00 H new ATOM 0 HA LEU A 15 7.171 26.368 -19.714 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.127 27.069 -19.441 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.374 26.375 -20.864 1.00 0.00 H new ATOM 0 HG LEU A 15 8.691 29.079 -19.651 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.778 29.956 -21.732 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.920 28.993 -20.765 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.168 28.289 -22.216 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.374 29.449 -21.706 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.724 27.784 -22.228 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.749 28.073 -20.767 1.00 0.00 H new ATOM 239 N ILE A 16 8.993 24.887 -17.462 1.00 0.00 N ATOM 240 CA ILE A 16 9.375 23.589 -16.926 1.00 0.00 C ATOM 241 C ILE A 16 8.132 22.855 -16.422 1.00 0.00 C ATOM 242 O ILE A 16 8.100 21.626 -16.416 1.00 0.00 O ATOM 243 CB ILE A 16 10.410 23.787 -15.808 1.00 0.00 C ATOM 244 CG1 ILE A 16 11.644 24.546 -16.310 1.00 0.00 C ATOM 245 CG2 ILE A 16 10.835 22.434 -15.229 1.00 0.00 C ATOM 246 CD1 ILE A 16 12.384 23.824 -17.442 1.00 0.00 C ATOM 0 H ILE A 16 9.161 25.667 -16.826 1.00 0.00 H new ATOM 0 HA ILE A 16 9.829 22.977 -17.705 1.00 0.00 H new ATOM 0 HB ILE A 16 9.939 24.384 -15.027 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.338 25.533 -16.657 1.00 0.00 H new ATOM 0 HG13 ILE A 16 12.330 24.700 -15.477 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.568 22.591 -14.438 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.963 21.924 -14.819 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.276 21.823 -16.017 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.246 24.416 -17.749 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.720 22.848 -17.092 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.713 23.694 -18.291 1.00 0.00 H new ATOM 258 N ALA A 17 7.103 23.598 -16.002 1.00 0.00 N ATOM 259 CA ALA A 17 5.869 22.995 -15.526 1.00 0.00 C ATOM 260 C ALA A 17 5.077 22.408 -16.693 1.00 0.00 C ATOM 261 O ALA A 17 4.289 21.487 -16.501 1.00 0.00 O ATOM 262 CB ALA A 17 5.044 24.057 -14.796 1.00 0.00 C ATOM 0 H ALA A 17 7.107 24.618 -15.985 1.00 0.00 H new ATOM 0 HA ALA A 17 6.103 22.183 -14.838 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.116 23.613 -14.436 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.614 24.443 -13.951 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.813 24.873 -15.481 1.00 0.00 H new ATOM 268 N MET A 18 5.280 22.938 -17.904 1.00 0.00 N ATOM 269 CA MET A 18 4.576 22.452 -19.079 1.00 0.00 C ATOM 270 C MET A 18 5.256 21.206 -19.641 1.00 0.00 C ATOM 271 O MET A 18 4.583 20.308 -20.143 1.00 0.00 O ATOM 272 CB MET A 18 4.524 23.573 -20.121 1.00 0.00 C ATOM 273 CG MET A 18 3.705 23.147 -21.337 1.00 0.00 C ATOM 274 SD MET A 18 3.543 24.432 -22.603 1.00 0.00 S ATOM 275 CE MET A 18 2.549 23.527 -23.813 1.00 0.00 C ATOM 0 H MET A 18 5.928 23.704 -18.088 1.00 0.00 H new ATOM 0 HA MET A 18 3.560 22.168 -18.807 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.086 24.467 -19.678 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.536 23.834 -20.432 1.00 0.00 H new ATOM 0 HG2 MET A 18 4.168 22.267 -21.784 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.710 22.850 -21.006 1.00 0.00 H new ATOM 0 HE1 MET A 18 2.348 24.168 -24.672 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.093 22.641 -24.141 1.00 0.00 H new ATOM 0 HE3 MET A 18 1.606 23.226 -23.357 1.00 0.00 H new ATOM 285 N MET A 19 6.591 21.144 -19.562 1.00 0.00 N ATOM 286 CA MET A 19 7.325 20.002 -20.085 1.00 0.00 C ATOM 287 C MET A 19 7.191 18.796 -19.160 1.00 0.00 C ATOM 288 O MET A 19 7.151 17.664 -19.640 1.00 0.00 O ATOM 289 CB MET A 19 8.796 20.380 -20.273 1.00 0.00 C ATOM 290 CG MET A 19 8.962 21.428 -21.376 1.00 0.00 C ATOM 291 SD MET A 19 8.419 20.899 -23.023 1.00 0.00 S ATOM 292 CE MET A 19 9.630 19.588 -23.336 1.00 0.00 C ATOM 0 H MET A 19 7.174 21.868 -19.143 1.00 0.00 H new ATOM 0 HA MET A 19 6.902 19.725 -21.051 1.00 0.00 H new ATOM 0 HB2 MET A 19 9.197 20.767 -19.336 1.00 0.00 H new ATOM 0 HB3 MET A 19 9.374 19.490 -20.523 1.00 0.00 H new ATOM 0 HG2 MET A 19 8.403 22.321 -21.095 1.00 0.00 H new ATOM 0 HG3 MET A 19 10.013 21.713 -21.430 1.00 0.00 H new ATOM 0 HE1 MET A 19 9.610 19.319 -24.392 1.00 0.00 H new ATOM 0 HE2 MET A 19 10.626 19.942 -23.071 1.00 0.00 H new ATOM 0 HE3 MET A 19 9.383 18.714 -22.734 1.00 0.00 H new ATOM 302 N LEU A 20 7.119 19.012 -17.844 1.00 0.00 N ATOM 303 CA LEU A 20 7.011 17.903 -16.909 1.00 0.00 C ATOM 304 C LEU A 20 5.584 17.378 -16.843 1.00 0.00 C ATOM 305 O LEU A 20 5.379 16.205 -16.556 1.00 0.00 O ATOM 306 CB LEU A 20 7.506 18.344 -15.526 1.00 0.00 C ATOM 307 CG LEU A 20 9.001 18.078 -15.314 1.00 0.00 C ATOM 308 CD1 LEU A 20 9.233 16.578 -15.156 1.00 0.00 C ATOM 309 CD2 LEU A 20 9.855 18.634 -16.450 1.00 0.00 C ATOM 0 H LEU A 20 7.134 19.936 -17.411 1.00 0.00 H new ATOM 0 HA LEU A 20 7.639 17.084 -17.260 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.310 19.409 -15.398 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.937 17.820 -14.758 1.00 0.00 H new ATOM 0 HG LEU A 20 9.308 18.597 -14.406 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.296 16.388 -15.005 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.673 16.212 -14.295 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.896 16.061 -16.054 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.906 18.420 -16.254 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.559 18.167 -17.390 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.711 19.712 -16.519 1.00 0.00 H new ATOM 321 N GLU A 21 4.583 18.225 -17.102 1.00 0.00 N ATOM 322 CA GLU A 21 3.205 17.758 -17.136 1.00 0.00 C ATOM 323 C GLU A 21 2.936 17.009 -18.443 1.00 0.00 C ATOM 324 O GLU A 21 2.003 16.210 -18.512 1.00 0.00 O ATOM 325 CB GLU A 21 2.253 18.947 -16.981 1.00 0.00 C ATOM 326 CG GLU A 21 2.227 19.449 -15.534 1.00 0.00 C ATOM 327 CD GLU A 21 1.458 18.482 -14.633 1.00 0.00 C ATOM 328 OE1 GLU A 21 2.106 17.564 -14.081 1.00 0.00 O ATOM 329 OE2 GLU A 21 0.226 18.671 -14.504 1.00 0.00 O ATOM 0 H GLU A 21 4.703 19.221 -17.288 1.00 0.00 H new ATOM 0 HA GLU A 21 3.036 17.069 -16.309 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.564 19.755 -17.644 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.248 18.654 -17.286 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.247 19.562 -15.166 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.763 20.435 -15.495 1.00 0.00 H new ATOM 336 N ASP A 22 3.741 17.255 -19.481 1.00 0.00 N ATOM 337 CA ASP A 22 3.564 16.587 -20.759 1.00 0.00 C ATOM 338 C ASP A 22 4.083 15.149 -20.715 1.00 0.00 C ATOM 339 O ASP A 22 3.441 14.251 -21.257 1.00 0.00 O ATOM 340 CB ASP A 22 4.269 17.392 -21.848 1.00 0.00 C ATOM 341 CG ASP A 22 4.016 16.786 -23.225 1.00 0.00 C ATOM 342 OD1 ASP A 22 4.965 16.180 -23.772 1.00 0.00 O ATOM 343 OD2 ASP A 22 2.878 16.934 -23.723 1.00 0.00 O ATOM 0 H ASP A 22 4.520 17.913 -19.454 1.00 0.00 H new ATOM 0 HA ASP A 22 2.499 16.533 -20.984 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.916 18.423 -21.830 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.340 17.419 -21.650 1.00 0.00 H new ATOM 348 N PHE A 23 5.234 14.908 -20.077 1.00 0.00 N ATOM 349 CA PHE A 23 5.782 13.558 -20.019 1.00 0.00 C ATOM 350 C PHE A 23 5.143 12.718 -18.914 1.00 0.00 C ATOM 351 O PHE A 23 5.197 11.492 -18.989 1.00 0.00 O ATOM 352 CB PHE A 23 7.302 13.612 -19.882 1.00 0.00 C ATOM 353 CG PHE A 23 7.986 13.955 -21.188 1.00 0.00 C ATOM 354 CD1 PHE A 23 8.071 12.984 -22.197 1.00 0.00 C ATOM 355 CD2 PHE A 23 8.522 15.232 -21.401 1.00 0.00 C ATOM 356 CE1 PHE A 23 8.682 13.293 -23.419 1.00 0.00 C ATOM 357 CE2 PHE A 23 9.130 15.543 -22.626 1.00 0.00 C ATOM 358 CZ PHE A 23 9.211 14.572 -23.636 1.00 0.00 C ATOM 0 H PHE A 23 5.792 15.619 -19.603 1.00 0.00 H new ATOM 0 HA PHE A 23 5.538 13.059 -20.957 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.570 14.353 -19.129 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.667 12.649 -19.526 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.665 11.997 -22.031 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.467 15.977 -20.621 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.745 12.544 -24.195 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.536 16.530 -22.792 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.680 14.810 -24.579 1.00 0.00 H new ATOM 368 N LEU A 24 4.541 13.337 -17.893 1.00 0.00 N ATOM 369 CA LEU A 24 3.819 12.566 -16.888 1.00 0.00 C ATOM 370 C LEU A 24 2.450 12.150 -17.427 1.00 0.00 C ATOM 371 O LEU A 24 1.833 11.233 -16.889 1.00 0.00 O ATOM 372 CB LEU A 24 3.690 13.379 -15.596 1.00 0.00 C ATOM 373 CG LEU A 24 5.040 13.567 -14.893 1.00 0.00 C ATOM 374 CD1 LEU A 24 4.846 14.486 -13.692 1.00 0.00 C ATOM 375 CD2 LEU A 24 5.618 12.243 -14.391 1.00 0.00 C ATOM 0 H LEU A 24 4.540 14.346 -17.746 1.00 0.00 H new ATOM 0 HA LEU A 24 4.377 11.658 -16.659 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.262 14.355 -15.824 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.997 12.877 -14.920 1.00 0.00 H new ATOM 0 HG LEU A 24 5.734 13.992 -15.618 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.800 14.627 -13.184 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.469 15.451 -14.030 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.131 14.038 -13.003 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.574 12.426 -13.900 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.926 11.790 -13.681 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.766 11.568 -15.234 1.00 0.00 H new ATOM 387 N GLU A 25 1.969 12.811 -18.485 1.00 0.00 N ATOM 388 CA GLU A 25 0.713 12.435 -19.122 1.00 0.00 C ATOM 389 C GLU A 25 0.938 11.325 -20.154 1.00 0.00 C ATOM 390 O GLU A 25 0.041 10.516 -20.392 1.00 0.00 O ATOM 391 CB GLU A 25 0.095 13.677 -19.764 1.00 0.00 C ATOM 392 CG GLU A 25 -1.278 13.373 -20.363 1.00 0.00 C ATOM 393 CD GLU A 25 -1.921 14.642 -20.921 1.00 0.00 C ATOM 394 OE1 GLU A 25 -2.665 15.297 -20.155 1.00 0.00 O ATOM 395 OE2 GLU A 25 -1.670 14.948 -22.107 1.00 0.00 O ATOM 0 H GLU A 25 2.435 13.610 -18.915 1.00 0.00 H new ATOM 0 HA GLU A 25 0.025 12.041 -18.374 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.001 14.465 -19.017 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.758 14.053 -20.543 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.178 12.632 -21.156 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.924 12.938 -19.600 1.00 0.00 H new ATOM 402 N VAL A 26 2.126 11.279 -20.763 1.00 0.00 N ATOM 403 CA VAL A 26 2.460 10.272 -21.767 1.00 0.00 C ATOM 404 C VAL A 26 2.922 8.976 -21.102 1.00 0.00 C ATOM 405 O VAL A 26 2.893 7.917 -21.732 1.00 0.00 O ATOM 406 CB VAL A 26 3.521 10.851 -22.715 1.00 0.00 C ATOM 407 CG1 VAL A 26 4.095 9.798 -23.667 1.00 0.00 C ATOM 408 CG2 VAL A 26 2.895 11.952 -23.567 1.00 0.00 C ATOM 0 H VAL A 26 2.880 11.939 -20.573 1.00 0.00 H new ATOM 0 HA VAL A 26 1.576 10.019 -22.352 1.00 0.00 H new ATOM 0 HB VAL A 26 4.328 11.233 -22.089 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.840 10.260 -24.315 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.562 9.001 -23.089 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.292 9.382 -24.276 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.647 12.363 -24.240 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.073 11.537 -24.151 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.517 12.743 -22.919 1.00 0.00 H new ATOM 418 N LEU A 27 3.344 9.039 -19.835 1.00 0.00 N ATOM 419 CA LEU A 27 3.787 7.866 -19.091 1.00 0.00 C ATOM 420 C LEU A 27 2.683 7.331 -18.176 1.00 0.00 C ATOM 421 O LEU A 27 2.954 6.523 -17.291 1.00 0.00 O ATOM 422 CB LEU A 27 5.067 8.188 -18.316 1.00 0.00 C ATOM 423 CG LEU A 27 6.244 8.501 -19.247 1.00 0.00 C ATOM 424 CD1 LEU A 27 7.451 8.905 -18.401 1.00 0.00 C ATOM 425 CD2 LEU A 27 6.628 7.284 -20.084 1.00 0.00 C ATOM 0 H LEU A 27 3.386 9.907 -19.301 1.00 0.00 H new ATOM 0 HA LEU A 27 4.013 7.070 -19.801 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.888 9.040 -17.660 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.326 7.343 -17.678 1.00 0.00 H new ATOM 0 HG LEU A 27 5.945 9.307 -19.917 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.294 9.130 -19.054 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.203 9.788 -17.812 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.718 8.086 -17.733 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.465 7.539 -20.734 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.916 6.465 -19.425 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.777 6.978 -20.692 1.00 0.00 H new ATOM 437 N ASP A 28 1.437 7.774 -18.385 1.00 0.00 N ATOM 438 CA ASP A 28 0.288 7.368 -17.580 1.00 0.00 C ATOM 439 C ASP A 28 0.565 7.537 -16.082 1.00 0.00 C ATOM 440 O ASP A 28 0.097 6.749 -15.259 1.00 0.00 O ATOM 441 CB ASP A 28 -0.150 5.947 -17.947 1.00 0.00 C ATOM 442 CG ASP A 28 -0.515 5.835 -19.423 1.00 0.00 C ATOM 443 OD1 ASP A 28 -1.533 6.448 -19.814 1.00 0.00 O ATOM 444 OD2 ASP A 28 0.224 5.140 -20.154 1.00 0.00 O ATOM 0 H ASP A 28 1.200 8.432 -19.128 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.548 8.030 -17.809 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.653 5.247 -17.716 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.007 5.661 -17.337 1.00 0.00 H new ATOM 449 N LYS A 29 1.330 8.575 -15.734 1.00 0.00 N ATOM 450 CA LYS A 29 1.750 8.851 -14.367 1.00 0.00 C ATOM 451 C LYS A 29 0.679 9.657 -13.634 1.00 0.00 C ATOM 452 O LYS A 29 -0.197 10.249 -14.267 1.00 0.00 O ATOM 453 CB LYS A 29 3.084 9.604 -14.425 1.00 0.00 C ATOM 454 CG LYS A 29 4.170 8.920 -13.597 1.00 0.00 C ATOM 455 CD LYS A 29 3.821 8.938 -12.108 1.00 0.00 C ATOM 456 CE LYS A 29 5.025 8.475 -11.292 1.00 0.00 C ATOM 457 NZ LYS A 29 5.413 7.092 -11.636 1.00 0.00 N ATOM 0 H LYS A 29 1.678 9.256 -16.409 1.00 0.00 H new ATOM 0 HA LYS A 29 1.883 7.923 -13.811 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.413 9.678 -15.462 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.941 10.622 -14.063 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.293 7.890 -13.932 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.124 9.423 -13.756 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.529 9.944 -11.805 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.968 8.287 -11.917 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.866 9.145 -11.470 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.790 8.534 -10.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.788 6.616 -10.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.581 6.574 -11.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.144 7.110 -12.376 1.00 0.00 H new ATOM 471 N THR A 30 0.746 9.684 -12.297 1.00 0.00 N ATOM 472 CA THR A 30 -0.207 10.411 -11.471 1.00 0.00 C ATOM 473 C THR A 30 0.490 11.562 -10.740 1.00 0.00 C ATOM 474 O THR A 30 0.952 11.386 -9.614 1.00 0.00 O ATOM 475 CB THR A 30 -0.868 9.442 -10.486 1.00 0.00 C ATOM 476 OG1 THR A 30 -1.454 8.377 -11.204 1.00 0.00 O ATOM 477 CG2 THR A 30 -1.966 10.143 -9.688 1.00 0.00 C ATOM 0 H THR A 30 1.467 9.199 -11.763 1.00 0.00 H new ATOM 0 HA THR A 30 -0.982 10.846 -12.103 1.00 0.00 H new ATOM 0 HB THR A 30 -0.104 9.075 -9.801 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.877 7.753 -10.577 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.421 9.435 -8.995 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.535 10.973 -9.128 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.726 10.522 -10.371 1.00 0.00 H new ATOM 485 N PRO A 31 0.578 12.749 -11.360 1.00 0.00 N ATOM 486 CA PRO A 31 1.147 13.928 -10.728 1.00 0.00 C ATOM 487 C PRO A 31 0.252 14.371 -9.574 1.00 0.00 C ATOM 488 O PRO A 31 -0.933 14.037 -9.541 1.00 0.00 O ATOM 489 CB PRO A 31 1.217 14.988 -11.826 1.00 0.00 C ATOM 490 CG PRO A 31 0.086 14.583 -12.772 1.00 0.00 C ATOM 491 CD PRO A 31 0.121 13.057 -12.702 1.00 0.00 C ATOM 0 HA PRO A 31 2.135 13.744 -10.307 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.069 15.992 -11.427 1.00 0.00 H new ATOM 0 HB3 PRO A 31 2.184 14.984 -12.329 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.875 14.981 -12.448 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.256 14.946 -13.786 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.865 12.631 -12.890 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.795 12.644 -13.452 1.00 0.00 H new ATOM 499 N VAL A 32 0.814 15.121 -8.623 1.00 0.00 N ATOM 500 CA VAL A 32 0.072 15.532 -7.435 1.00 0.00 C ATOM 501 C VAL A 32 0.039 17.046 -7.243 1.00 0.00 C ATOM 502 O VAL A 32 -0.793 17.543 -6.485 1.00 0.00 O ATOM 503 CB VAL A 32 0.651 14.845 -6.195 1.00 0.00 C ATOM 504 CG1 VAL A 32 0.553 13.326 -6.345 1.00 0.00 C ATOM 505 CG2 VAL A 32 2.115 15.233 -5.977 1.00 0.00 C ATOM 0 H VAL A 32 1.778 15.454 -8.655 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.962 15.219 -7.581 1.00 0.00 H new ATOM 0 HB VAL A 32 0.071 15.173 -5.332 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.967 12.845 -5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.492 13.038 -6.459 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.114 13.010 -7.224 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.497 14.729 -5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.703 14.935 -6.845 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.189 16.312 -5.842 1.00 0.00 H new ATOM 515 N GLY A 33 0.923 17.789 -7.913 1.00 0.00 N ATOM 516 CA GLY A 33 0.909 19.242 -7.834 1.00 0.00 C ATOM 517 C GLY A 33 2.198 19.868 -8.348 1.00 0.00 C ATOM 518 O GLY A 33 3.156 19.167 -8.675 1.00 0.00 O ATOM 0 H GLY A 33 1.653 17.405 -8.513 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.068 19.626 -8.411 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.750 19.545 -6.799 1.00 0.00 H new ATOM 522 N THR A 34 2.200 21.202 -8.414 1.00 0.00 N ATOM 523 CA THR A 34 3.355 21.992 -8.815 1.00 0.00 C ATOM 524 C THR A 34 3.471 23.191 -7.879 1.00 0.00 C ATOM 525 O THR A 34 2.457 23.794 -7.522 1.00 0.00 O ATOM 526 CB THR A 34 3.210 22.448 -10.272 1.00 0.00 C ATOM 527 OG1 THR A 34 3.025 21.324 -11.104 1.00 0.00 O ATOM 528 CG2 THR A 34 4.460 23.196 -10.733 1.00 0.00 C ATOM 0 H THR A 34 1.383 21.768 -8.185 1.00 0.00 H new ATOM 0 HA THR A 34 4.261 21.389 -8.747 1.00 0.00 H new ATOM 0 HB THR A 34 2.349 23.114 -10.336 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.931 21.618 -12.034 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.335 23.510 -11.769 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.612 24.073 -10.104 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.326 22.539 -10.655 1.00 0.00 H new ATOM 536 N VAL A 35 4.697 23.535 -7.484 1.00 0.00 N ATOM 537 CA VAL A 35 4.953 24.627 -6.554 1.00 0.00 C ATOM 538 C VAL A 35 6.162 25.443 -7.003 1.00 0.00 C ATOM 539 O VAL A 35 6.978 24.970 -7.797 1.00 0.00 O ATOM 540 CB VAL A 35 5.156 24.084 -5.131 1.00 0.00 C ATOM 541 CG1 VAL A 35 3.894 23.385 -4.627 1.00 0.00 C ATOM 542 CG2 VAL A 35 6.316 23.090 -5.084 1.00 0.00 C ATOM 0 H VAL A 35 5.541 23.060 -7.803 1.00 0.00 H new ATOM 0 HA VAL A 35 4.085 25.286 -6.547 1.00 0.00 H new ATOM 0 HB VAL A 35 5.381 24.937 -4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.064 23.010 -3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.066 24.093 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.651 22.553 -5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.438 22.721 -4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.105 22.253 -5.750 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.233 23.586 -5.403 1.00 0.00 H new ATOM 552 N ASP A 36 6.280 26.671 -6.492 1.00 0.00 N ATOM 553 CA ASP A 36 7.352 27.587 -6.866 1.00 0.00 C ATOM 554 C ASP A 36 8.028 28.216 -5.644 1.00 0.00 C ATOM 555 O ASP A 36 8.857 29.111 -5.789 1.00 0.00 O ATOM 556 CB ASP A 36 6.810 28.654 -7.819 1.00 0.00 C ATOM 557 CG ASP A 36 5.831 29.604 -7.127 1.00 0.00 C ATOM 558 OD1 ASP A 36 6.158 30.810 -7.035 1.00 0.00 O ATOM 559 OD2 ASP A 36 4.759 29.120 -6.695 1.00 0.00 O ATOM 0 H ASP A 36 5.631 27.056 -5.806 1.00 0.00 H new ATOM 0 HA ASP A 36 8.124 27.015 -7.380 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.641 29.227 -8.230 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.311 28.169 -8.658 1.00 0.00 H new ATOM 564 N THR A 37 7.678 27.752 -4.441 1.00 0.00 N ATOM 565 CA THR A 37 8.260 28.247 -3.200 1.00 0.00 C ATOM 566 C THR A 37 8.583 27.079 -2.277 1.00 0.00 C ATOM 567 O THR A 37 7.992 26.006 -2.396 1.00 0.00 O ATOM 568 CB THR A 37 7.303 29.218 -2.501 1.00 0.00 C ATOM 569 OG1 THR A 37 6.100 28.556 -2.173 1.00 0.00 O ATOM 570 CG2 THR A 37 6.982 30.418 -3.393 1.00 0.00 C ATOM 0 H THR A 37 6.981 27.020 -4.305 1.00 0.00 H new ATOM 0 HA THR A 37 9.179 28.782 -3.438 1.00 0.00 H new ATOM 0 HB THR A 37 7.794 29.575 -1.595 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.494 29.182 -1.725 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.301 31.089 -2.869 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.903 30.950 -3.632 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.513 30.072 -4.314 1.00 0.00 H new ATOM 578 N VAL A 38 9.524 27.286 -1.349 1.00 0.00 N ATOM 579 CA VAL A 38 9.904 26.254 -0.395 1.00 0.00 C ATOM 580 C VAL A 38 8.802 26.078 0.646 1.00 0.00 C ATOM 581 O VAL A 38 8.619 24.985 1.176 1.00 0.00 O ATOM 582 CB VAL A 38 11.239 26.627 0.261 1.00 0.00 C ATOM 583 CG1 VAL A 38 11.675 25.547 1.251 1.00 0.00 C ATOM 584 CG2 VAL A 38 12.327 26.769 -0.802 1.00 0.00 C ATOM 0 H VAL A 38 10.034 28.163 -1.243 1.00 0.00 H new ATOM 0 HA VAL A 38 10.032 25.303 -0.912 1.00 0.00 H new ATOM 0 HB VAL A 38 11.099 27.572 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.624 25.831 1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.919 25.439 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 38 11.793 24.599 0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.270 27.034 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 38 12.442 25.824 -1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.046 27.550 -1.508 1.00 0.00 H new ATOM 594 N ALA A 39 8.058 27.148 0.946 1.00 0.00 N ATOM 595 CA ALA A 39 6.980 27.073 1.915 1.00 0.00 C ATOM 596 C ALA A 39 5.801 26.291 1.339 1.00 0.00 C ATOM 597 O ALA A 39 5.076 25.636 2.081 1.00 0.00 O ATOM 598 CB ALA A 39 6.562 28.491 2.297 1.00 0.00 C ATOM 0 H ALA A 39 8.188 28.070 0.529 1.00 0.00 H new ATOM 0 HA ALA A 39 7.320 26.547 2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.752 28.448 3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.413 29.017 2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.223 29.022 1.408 1.00 0.00 H new ATOM 604 N GLY A 40 5.609 26.355 0.018 1.00 0.00 N ATOM 605 CA GLY A 40 4.554 25.613 -0.650 1.00 0.00 C ATOM 606 C GLY A 40 4.972 24.167 -0.893 1.00 0.00 C ATOM 607 O GLY A 40 4.115 23.294 -1.005 1.00 0.00 O ATOM 0 H GLY A 40 6.181 26.921 -0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.648 25.636 -0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.314 26.090 -1.600 1.00 0.00 H new ATOM 611 N ALA A 41 6.280 23.905 -0.970 1.00 0.00 N ATOM 612 CA ALA A 41 6.781 22.560 -1.200 1.00 0.00 C ATOM 613 C ALA A 41 6.678 21.714 0.068 1.00 0.00 C ATOM 614 O ALA A 41 6.416 20.516 -0.015 1.00 0.00 O ATOM 615 CB ALA A 41 8.230 22.643 -1.680 1.00 0.00 C ATOM 0 H ALA A 41 7.008 24.614 -0.875 1.00 0.00 H new ATOM 0 HA ALA A 41 6.173 22.077 -1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.613 21.638 -1.855 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.274 23.215 -2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.837 23.136 -0.921 1.00 0.00 H new ATOM 621 N LEU A 42 6.874 22.320 1.242 1.00 0.00 N ATOM 622 CA LEU A 42 6.760 21.594 2.498 1.00 0.00 C ATOM 623 C LEU A 42 5.299 21.516 2.937 1.00 0.00 C ATOM 624 O LEU A 42 4.937 20.609 3.682 1.00 0.00 O ATOM 625 CB LEU A 42 7.635 22.263 3.567 1.00 0.00 C ATOM 626 CG LEU A 42 9.096 21.780 3.563 1.00 0.00 C ATOM 627 CD1 LEU A 42 9.186 20.320 4.004 1.00 0.00 C ATOM 628 CD2 LEU A 42 9.756 21.905 2.190 1.00 0.00 C ATOM 0 H LEU A 42 7.111 23.307 1.343 1.00 0.00 H new ATOM 0 HA LEU A 42 7.116 20.573 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.618 23.342 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.202 22.073 4.549 1.00 0.00 H new ATOM 0 HG LEU A 42 9.625 22.426 4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.228 20.000 3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.786 20.219 5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.609 19.697 3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.785 21.550 2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.205 21.305 1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.749 22.949 1.877 1.00 0.00 H new ATOM 640 N ALA A 43 4.455 22.448 2.489 1.00 0.00 N ATOM 641 CA ALA A 43 3.030 22.402 2.792 1.00 0.00 C ATOM 642 C ALA A 43 2.331 21.332 1.949 1.00 0.00 C ATOM 643 O ALA A 43 1.287 20.818 2.336 1.00 0.00 O ATOM 644 CB ALA A 43 2.422 23.780 2.532 1.00 0.00 C ATOM 0 H ALA A 43 4.738 23.243 1.915 1.00 0.00 H new ATOM 0 HA ALA A 43 2.891 22.138 3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.356 23.755 2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.909 24.519 3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.567 24.050 1.486 1.00 0.00 H new ATOM 650 N ARG A 44 2.917 21.000 0.792 1.00 0.00 N ATOM 651 CA ARG A 44 2.386 19.996 -0.117 1.00 0.00 C ATOM 652 C ARG A 44 2.843 18.599 0.315 1.00 0.00 C ATOM 653 O ARG A 44 2.121 17.627 0.103 1.00 0.00 O ATOM 654 CB ARG A 44 2.863 20.356 -1.528 1.00 0.00 C ATOM 655 CG ARG A 44 2.412 19.405 -2.643 1.00 0.00 C ATOM 656 CD ARG A 44 0.892 19.337 -2.805 1.00 0.00 C ATOM 657 NE ARG A 44 0.288 18.402 -1.852 1.00 0.00 N ATOM 658 CZ ARG A 44 -1.006 18.067 -1.844 1.00 0.00 C ATOM 659 NH1 ARG A 44 -1.855 18.603 -2.713 1.00 0.00 N ATOM 660 NH2 ARG A 44 -1.451 17.184 -0.954 1.00 0.00 N ATOM 0 H ARG A 44 3.782 21.430 0.464 1.00 0.00 H new ATOM 0 HA ARG A 44 1.296 19.981 -0.101 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.510 21.359 -1.766 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.952 20.393 -1.525 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.857 19.725 -3.585 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.793 18.405 -2.434 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.466 20.330 -2.661 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.648 19.029 -3.822 1.00 0.00 H new ATOM 0 HE ARG A 44 0.894 17.979 -1.149 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.523 19.280 -3.399 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.840 18.337 -2.694 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.806 16.767 -0.283 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.437 16.924 -0.943 1.00 0.00 H new ATOM 674 N VAL A 45 4.030 18.500 0.917 1.00 0.00 N ATOM 675 CA VAL A 45 4.565 17.229 1.402 1.00 0.00 C ATOM 676 C VAL A 45 4.026 16.882 2.790 1.00 0.00 C ATOM 677 O VAL A 45 3.970 15.708 3.152 1.00 0.00 O ATOM 678 CB VAL A 45 6.096 17.297 1.387 1.00 0.00 C ATOM 679 CG1 VAL A 45 6.726 16.088 2.079 1.00 0.00 C ATOM 680 CG2 VAL A 45 6.580 17.307 -0.063 1.00 0.00 C ATOM 0 H VAL A 45 4.645 19.297 1.081 1.00 0.00 H new ATOM 0 HA VAL A 45 4.237 16.427 0.741 1.00 0.00 H new ATOM 0 HB VAL A 45 6.391 18.202 1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.812 16.175 2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.396 16.050 3.117 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.420 15.176 1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.669 17.355 -0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.248 16.398 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.169 18.175 -0.578 1.00 0.00 H new ATOM 690 N GLU A 46 3.620 17.880 3.581 1.00 0.00 N ATOM 691 CA GLU A 46 3.132 17.642 4.934 1.00 0.00 C ATOM 692 C GLU A 46 1.759 16.969 4.915 1.00 0.00 C ATOM 693 O GLU A 46 1.348 16.379 5.912 1.00 0.00 O ATOM 694 CB GLU A 46 3.112 18.975 5.689 1.00 0.00 C ATOM 695 CG GLU A 46 2.662 18.830 7.146 1.00 0.00 C ATOM 696 CD GLU A 46 3.517 17.827 7.923 1.00 0.00 C ATOM 697 OE1 GLU A 46 4.722 17.707 7.605 1.00 0.00 O ATOM 698 OE2 GLU A 46 2.958 17.181 8.837 1.00 0.00 O ATOM 0 H GLU A 46 3.622 18.861 3.302 1.00 0.00 H new ATOM 0 HA GLU A 46 3.800 16.954 5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.109 19.415 5.664 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.445 19.667 5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.711 19.802 7.637 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.620 18.512 7.172 1.00 0.00 H new ATOM 705 N ASP A 47 1.045 17.049 3.788 1.00 0.00 N ATOM 706 CA ASP A 47 -0.252 16.407 3.640 1.00 0.00 C ATOM 707 C ASP A 47 -0.094 14.927 3.288 1.00 0.00 C ATOM 708 O ASP A 47 -1.056 14.161 3.344 1.00 0.00 O ATOM 709 CB ASP A 47 -1.059 17.154 2.579 1.00 0.00 C ATOM 710 CG ASP A 47 -2.493 16.637 2.498 1.00 0.00 C ATOM 711 OD1 ASP A 47 -3.226 16.804 3.501 1.00 0.00 O ATOM 712 OD2 ASP A 47 -2.853 16.081 1.436 1.00 0.00 O ATOM 0 H ASP A 47 1.353 17.559 2.960 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.789 16.450 4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.068 18.219 2.811 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.576 17.043 1.608 1.00 0.00 H new ATOM 717 N GLY A 48 1.126 14.516 2.919 1.00 0.00 N ATOM 718 CA GLY A 48 1.414 13.144 2.533 1.00 0.00 C ATOM 719 C GLY A 48 0.860 12.824 1.147 1.00 0.00 C ATOM 720 O GLY A 48 0.433 13.718 0.418 1.00 0.00 O ATOM 0 H GLY A 48 1.937 15.133 2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.492 12.981 2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.983 12.461 3.265 1.00 0.00 H new ATOM 724 N GLY A 49 0.867 11.538 0.786 1.00 0.00 N ATOM 725 CA GLY A 49 0.357 11.083 -0.499 1.00 0.00 C ATOM 726 C GLY A 49 1.353 11.302 -1.636 1.00 0.00 C ATOM 727 O GLY A 49 0.974 11.210 -2.803 1.00 0.00 O ATOM 0 H GLY A 49 1.226 10.789 1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.112 10.023 -0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.570 11.611 -0.726 1.00 0.00 H new ATOM 731 N ILE A 50 2.618 11.591 -1.310 1.00 0.00 N ATOM 732 CA ILE A 50 3.661 11.830 -2.300 1.00 0.00 C ATOM 733 C ILE A 50 4.815 10.851 -2.074 1.00 0.00 C ATOM 734 O ILE A 50 5.096 10.476 -0.938 1.00 0.00 O ATOM 735 CB ILE A 50 4.122 13.293 -2.242 1.00 0.00 C ATOM 736 CG1 ILE A 50 2.891 14.204 -2.309 1.00 0.00 C ATOM 737 CG2 ILE A 50 5.087 13.585 -3.396 1.00 0.00 C ATOM 738 CD1 ILE A 50 3.255 15.686 -2.409 1.00 0.00 C ATOM 0 H ILE A 50 2.943 11.665 -0.346 1.00 0.00 H new ATOM 0 HA ILE A 50 3.268 11.657 -3.302 1.00 0.00 H new ATOM 0 HB ILE A 50 4.652 13.481 -1.308 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.284 13.925 -3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.278 14.044 -1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.409 14.625 -3.347 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.956 12.932 -3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.583 13.406 -4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.344 16.282 -2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.837 15.977 -1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.844 15.856 -3.310 1.00 0.00 H new ATOM 750 N ASP A 51 5.480 10.440 -3.156 1.00 0.00 N ATOM 751 CA ASP A 51 6.524 9.426 -3.097 1.00 0.00 C ATOM 752 C ASP A 51 7.839 9.904 -3.714 1.00 0.00 C ATOM 753 O ASP A 51 8.880 9.299 -3.463 1.00 0.00 O ATOM 754 CB ASP A 51 6.028 8.173 -3.817 1.00 0.00 C ATOM 755 CG ASP A 51 5.070 7.351 -2.959 1.00 0.00 C ATOM 756 OD1 ASP A 51 4.010 7.889 -2.572 1.00 0.00 O ATOM 757 OD2 ASP A 51 5.419 6.176 -2.698 1.00 0.00 O ATOM 0 H ASP A 51 5.307 10.802 -4.094 1.00 0.00 H new ATOM 0 HA ASP A 51 6.732 9.210 -2.049 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.527 8.462 -4.741 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.882 7.556 -4.097 1.00 0.00 H new ATOM 762 N ALA A 52 7.810 10.975 -4.513 1.00 0.00 N ATOM 763 CA ALA A 52 9.005 11.530 -5.126 1.00 0.00 C ATOM 764 C ALA A 52 8.757 12.974 -5.562 1.00 0.00 C ATOM 765 O ALA A 52 7.614 13.428 -5.606 1.00 0.00 O ATOM 766 CB ALA A 52 9.390 10.675 -6.333 1.00 0.00 C ATOM 0 H ALA A 52 6.954 11.477 -4.749 1.00 0.00 H new ATOM 0 HA ALA A 52 9.819 11.526 -4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.286 11.085 -6.799 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.585 9.653 -6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.573 10.676 -7.055 1.00 0.00 H new ATOM 772 N ALA A 53 9.828 13.704 -5.888 1.00 0.00 N ATOM 773 CA ALA A 53 9.714 15.075 -6.363 1.00 0.00 C ATOM 774 C ALA A 53 10.870 15.431 -7.296 1.00 0.00 C ATOM 775 O ALA A 53 11.870 14.718 -7.354 1.00 0.00 O ATOM 776 CB ALA A 53 9.680 16.018 -5.160 1.00 0.00 C ATOM 0 H ALA A 53 10.787 13.360 -5.829 1.00 0.00 H new ATOM 0 HA ALA A 53 8.791 15.180 -6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.595 17.048 -5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.823 15.775 -4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.598 15.905 -4.583 1.00 0.00 H new ATOM 782 N ILE A 54 10.729 16.539 -8.027 1.00 0.00 N ATOM 783 CA ILE A 54 11.749 17.043 -8.932 1.00 0.00 C ATOM 784 C ILE A 54 12.019 18.504 -8.588 1.00 0.00 C ATOM 785 O ILE A 54 11.083 19.281 -8.416 1.00 0.00 O ATOM 786 CB ILE A 54 11.287 16.877 -10.387 1.00 0.00 C ATOM 787 CG1 ILE A 54 11.055 15.388 -10.687 1.00 0.00 C ATOM 788 CG2 ILE A 54 12.330 17.469 -11.338 1.00 0.00 C ATOM 789 CD1 ILE A 54 10.538 15.158 -12.107 1.00 0.00 C ATOM 0 H ILE A 54 9.888 17.116 -8.002 1.00 0.00 H new ATOM 0 HA ILE A 54 12.675 16.479 -8.820 1.00 0.00 H new ATOM 0 HB ILE A 54 10.349 17.412 -10.535 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.988 14.842 -10.549 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.340 14.982 -9.972 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.994 17.347 -12.368 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.459 18.529 -11.122 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.280 16.953 -11.203 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.389 14.091 -12.272 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.591 15.681 -12.238 1.00 0.00 H new ATOM 0 HD13 ILE A 54 11.265 15.538 -12.825 1.00 0.00 H new ATOM 801 N LEU A 55 13.300 18.875 -8.490 1.00 0.00 N ATOM 802 CA LEU A 55 13.704 20.204 -8.056 1.00 0.00 C ATOM 803 C LEU A 55 14.396 20.963 -9.184 1.00 0.00 C ATOM 804 O LEU A 55 15.310 20.441 -9.822 1.00 0.00 O ATOM 805 CB LEU A 55 14.650 20.090 -6.850 1.00 0.00 C ATOM 806 CG LEU A 55 13.966 19.899 -5.488 1.00 0.00 C ATOM 807 CD1 LEU A 55 13.212 21.158 -5.077 1.00 0.00 C ATOM 808 CD2 LEU A 55 12.986 18.727 -5.465 1.00 0.00 C ATOM 0 H LEU A 55 14.081 18.258 -8.711 1.00 0.00 H new ATOM 0 HA LEU A 55 12.810 20.758 -7.770 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.325 19.251 -7.018 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.264 20.990 -6.806 1.00 0.00 H new ATOM 0 HG LEU A 55 14.772 19.685 -4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.736 20.998 -4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.909 21.993 -5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.450 21.386 -5.823 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.538 18.647 -4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.203 18.893 -6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.517 17.804 -5.698 1.00 0.00 H new ATOM 820 N ASP A 56 13.961 22.203 -9.423 1.00 0.00 N ATOM 821 CA ASP A 56 14.615 23.107 -10.352 1.00 0.00 C ATOM 822 C ASP A 56 15.763 23.811 -9.628 1.00 0.00 C ATOM 823 O ASP A 56 15.615 24.214 -8.472 1.00 0.00 O ATOM 824 CB ASP A 56 13.573 24.095 -10.885 1.00 0.00 C ATOM 825 CG ASP A 56 14.107 25.070 -11.930 1.00 0.00 C ATOM 826 OD1 ASP A 56 13.306 25.930 -12.356 1.00 0.00 O ATOM 827 OD2 ASP A 56 15.296 24.961 -12.300 1.00 0.00 O ATOM 0 H ASP A 56 13.139 22.603 -8.971 1.00 0.00 H new ATOM 0 HA ASP A 56 15.037 22.571 -11.202 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.746 23.533 -11.319 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.168 24.664 -10.048 1.00 0.00 H new ATOM 832 N VAL A 57 16.908 23.963 -10.299 1.00 0.00 N ATOM 833 CA VAL A 57 18.084 24.581 -9.706 1.00 0.00 C ATOM 834 C VAL A 57 18.050 26.095 -9.905 1.00 0.00 C ATOM 835 O VAL A 57 18.829 26.823 -9.291 1.00 0.00 O ATOM 836 CB VAL A 57 19.343 23.932 -10.300 1.00 0.00 C ATOM 837 CG1 VAL A 57 20.614 24.472 -9.647 1.00 0.00 C ATOM 838 CG2 VAL A 57 19.298 22.422 -10.055 1.00 0.00 C ATOM 0 H VAL A 57 17.040 23.661 -11.264 1.00 0.00 H new ATOM 0 HA VAL A 57 18.097 24.413 -8.629 1.00 0.00 H new ATOM 0 HB VAL A 57 19.362 24.162 -11.365 1.00 0.00 H new ATOM 0 HG11 VAL A 57 21.485 23.990 -10.092 1.00 0.00 H new ATOM 0 HG12 VAL A 57 20.675 25.549 -9.805 1.00 0.00 H new ATOM 0 HG13 VAL A 57 20.591 24.263 -8.578 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.190 21.958 -10.476 1.00 0.00 H new ATOM 0 HG22 VAL A 57 19.259 22.228 -8.983 1.00 0.00 H new ATOM 0 HG23 VAL A 57 18.412 22.002 -10.532 1.00 0.00 H new ATOM 848 N ASN A 58 17.152 26.586 -10.762 1.00 0.00 N ATOM 849 CA ASN A 58 16.999 28.015 -10.987 1.00 0.00 C ATOM 850 C ASN A 58 16.373 28.653 -9.746 1.00 0.00 C ATOM 851 O ASN A 58 15.404 28.130 -9.197 1.00 0.00 O ATOM 852 CB ASN A 58 16.149 28.243 -12.238 1.00 0.00 C ATOM 853 CG ASN A 58 16.069 29.712 -12.633 1.00 0.00 C ATOM 854 OD1 ASN A 58 16.809 30.548 -12.122 1.00 0.00 O ATOM 855 ND2 ASN A 58 15.166 30.036 -13.554 1.00 0.00 N ATOM 0 H ASN A 58 16.518 26.006 -11.312 1.00 0.00 H new ATOM 0 HA ASN A 58 17.969 28.484 -11.154 1.00 0.00 H new ATOM 0 HB2 ASN A 58 16.567 27.670 -13.066 1.00 0.00 H new ATOM 0 HB3 ASN A 58 15.143 27.862 -12.063 1.00 0.00 H new ATOM 0 HD21 ASN A 58 15.072 31.005 -13.857 1.00 0.00 H new ATOM 0 HD22 ASN A 58 14.568 29.315 -13.957 1.00 0.00 H new ATOM 862 N LEU A 59 16.923 29.786 -9.301 1.00 0.00 N ATOM 863 CA LEU A 59 16.454 30.475 -8.109 1.00 0.00 C ATOM 864 C LEU A 59 16.806 31.961 -8.188 1.00 0.00 C ATOM 865 O LEU A 59 17.785 32.338 -8.830 1.00 0.00 O ATOM 866 CB LEU A 59 17.099 29.818 -6.883 1.00 0.00 C ATOM 867 CG LEU A 59 16.573 30.369 -5.553 1.00 0.00 C ATOM 868 CD1 LEU A 59 15.068 30.141 -5.409 1.00 0.00 C ATOM 869 CD2 LEU A 59 17.291 29.656 -4.407 1.00 0.00 C ATOM 0 H LEU A 59 17.707 30.247 -9.762 1.00 0.00 H new ATOM 0 HA LEU A 59 15.370 30.398 -8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 59 16.920 28.743 -6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 59 18.178 29.963 -6.927 1.00 0.00 H new ATOM 0 HG LEU A 59 16.762 31.442 -5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 59 14.729 30.544 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.544 30.644 -6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.857 29.072 -5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 59 16.926 30.039 -3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 59 17.097 28.585 -4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 59 18.364 29.835 -4.483 1.00 0.00 H new ATOM 881 N ARG A 60 16.004 32.799 -7.526 1.00 0.00 N ATOM 882 CA ARG A 60 16.227 34.238 -7.474 1.00 0.00 C ATOM 883 C ARG A 60 17.375 34.586 -6.526 1.00 0.00 C ATOM 884 O ARG A 60 17.652 33.850 -5.580 1.00 0.00 O ATOM 885 CB ARG A 60 14.933 34.963 -7.087 1.00 0.00 C ATOM 886 CG ARG A 60 14.458 34.570 -5.682 1.00 0.00 C ATOM 887 CD ARG A 60 13.149 35.281 -5.343 1.00 0.00 C ATOM 888 NE ARG A 60 13.310 36.741 -5.340 1.00 0.00 N ATOM 889 CZ ARG A 60 13.774 37.448 -4.308 1.00 0.00 C ATOM 890 NH1 ARG A 60 14.131 36.849 -3.173 1.00 0.00 N ATOM 891 NH2 ARG A 60 13.883 38.771 -4.406 1.00 0.00 N ATOM 0 H ARG A 60 15.179 32.493 -7.010 1.00 0.00 H new ATOM 0 HA ARG A 60 16.519 34.579 -8.467 1.00 0.00 H new ATOM 0 HB2 ARG A 60 15.094 36.040 -7.128 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.154 34.729 -7.813 1.00 0.00 H new ATOM 0 HG2 ARG A 60 14.317 33.490 -5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 60 15.221 34.829 -4.948 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.384 35.001 -6.067 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.798 34.951 -4.365 1.00 0.00 H new ATOM 0 HE ARG A 60 13.049 37.249 -6.185 1.00 0.00 H new ATOM 0 HH11 ARG A 60 14.051 35.836 -3.084 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.484 37.403 -2.393 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.612 39.243 -5.269 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.237 39.313 -3.618 1.00 0.00 H new ATOM 905 N GLY A 61 18.042 35.716 -6.783 1.00 0.00 N ATOM 906 CA GLY A 61 19.150 36.189 -5.964 1.00 0.00 C ATOM 907 C GLY A 61 20.476 35.555 -6.376 1.00 0.00 C ATOM 908 O GLY A 61 20.551 34.850 -7.384 1.00 0.00 O ATOM 0 H GLY A 61 17.823 36.327 -7.570 1.00 0.00 H new ATOM 0 HA2 GLY A 61 19.225 37.273 -6.047 1.00 0.00 H new ATOM 0 HA3 GLY A 61 18.950 35.962 -4.917 1.00 0.00 H new ATOM 912 N GLY A 62 21.526 35.811 -5.592 1.00 0.00 N ATOM 913 CA GLY A 62 22.874 35.327 -5.872 1.00 0.00 C ATOM 914 C GLY A 62 23.070 33.855 -5.504 1.00 0.00 C ATOM 915 O GLY A 62 24.166 33.321 -5.676 1.00 0.00 O ATOM 0 H GLY A 62 21.461 36.365 -4.738 1.00 0.00 H new ATOM 0 HA2 GLY A 62 23.090 35.463 -6.932 1.00 0.00 H new ATOM 0 HA3 GLY A 62 23.593 35.932 -5.320 1.00 0.00 H new ATOM 919 N GLU A 63 22.027 33.193 -4.999 1.00 0.00 N ATOM 920 CA GLU A 63 22.106 31.791 -4.611 1.00 0.00 C ATOM 921 C GLU A 63 22.273 30.894 -5.841 1.00 0.00 C ATOM 922 O GLU A 63 21.823 31.237 -6.935 1.00 0.00 O ATOM 923 CB GLU A 63 20.859 31.398 -3.815 1.00 0.00 C ATOM 924 CG GLU A 63 20.873 31.984 -2.401 1.00 0.00 C ATOM 925 CD GLU A 63 20.854 33.513 -2.393 1.00 0.00 C ATOM 926 OE1 GLU A 63 21.795 34.100 -1.812 1.00 0.00 O ATOM 927 OE2 GLU A 63 19.901 34.084 -2.968 1.00 0.00 O ATOM 0 H GLU A 63 21.110 33.615 -4.850 1.00 0.00 H new ATOM 0 HA GLU A 63 22.982 31.653 -3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 63 19.969 31.743 -4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 63 20.794 30.312 -3.757 1.00 0.00 H new ATOM 0 HG2 GLU A 63 20.010 31.612 -1.850 1.00 0.00 H new ATOM 0 HG3 GLU A 63 21.762 31.633 -1.876 1.00 0.00 H new ATOM 934 N LYS A 64 22.925 29.743 -5.651 1.00 0.00 N ATOM 935 CA LYS A 64 23.203 28.795 -6.726 1.00 0.00 C ATOM 936 C LYS A 64 23.121 27.356 -6.211 1.00 0.00 C ATOM 937 O LYS A 64 23.675 26.438 -6.815 1.00 0.00 O ATOM 938 CB LYS A 64 24.577 29.123 -7.329 1.00 0.00 C ATOM 939 CG LYS A 64 24.759 28.498 -8.716 1.00 0.00 C ATOM 940 CD LYS A 64 26.079 28.942 -9.353 1.00 0.00 C ATOM 941 CE LYS A 64 27.272 28.499 -8.506 1.00 0.00 C ATOM 942 NZ LYS A 64 28.547 28.848 -9.163 1.00 0.00 N ATOM 0 H LYS A 64 23.275 29.444 -4.741 1.00 0.00 H new ATOM 0 HA LYS A 64 22.452 28.884 -7.511 1.00 0.00 H new ATOM 0 HB2 LYS A 64 24.693 30.204 -7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 64 25.361 28.762 -6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 64 24.739 27.411 -8.634 1.00 0.00 H new ATOM 0 HG3 LYS A 64 23.927 28.784 -9.359 1.00 0.00 H new ATOM 0 HD2 LYS A 64 26.163 28.521 -10.355 1.00 0.00 H new ATOM 0 HD3 LYS A 64 26.088 30.027 -9.461 1.00 0.00 H new ATOM 0 HE2 LYS A 64 27.222 28.973 -7.526 1.00 0.00 H new ATOM 0 HE3 LYS A 64 27.226 27.422 -8.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 29.324 28.774 -8.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 28.721 28.194 -9.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 28.496 29.822 -9.525 1.00 0.00 H new ATOM 956 N SER A 65 22.426 27.152 -5.090 1.00 0.00 N ATOM 957 CA SER A 65 22.295 25.846 -4.463 1.00 0.00 C ATOM 958 C SER A 65 20.854 25.583 -4.039 1.00 0.00 C ATOM 959 O SER A 65 20.044 26.510 -3.947 1.00 0.00 O ATOM 960 CB SER A 65 23.245 25.761 -3.269 1.00 0.00 C ATOM 961 OG SER A 65 22.928 26.758 -2.321 1.00 0.00 O ATOM 0 H SER A 65 21.937 27.897 -4.593 1.00 0.00 H new ATOM 0 HA SER A 65 22.563 25.076 -5.186 1.00 0.00 H new ATOM 0 HB2 SER A 65 23.174 24.776 -2.808 1.00 0.00 H new ATOM 0 HB3 SER A 65 24.275 25.883 -3.605 1.00 0.00 H new ATOM 0 HG SER A 65 23.542 26.693 -1.560 1.00 0.00 H new ATOM 967 N THR A 66 20.538 24.311 -3.781 1.00 0.00 N ATOM 968 CA THR A 66 19.201 23.881 -3.381 1.00 0.00 C ATOM 969 C THR A 66 19.312 22.880 -2.230 1.00 0.00 C ATOM 970 O THR A 66 18.978 21.705 -2.388 1.00 0.00 O ATOM 971 CB THR A 66 18.462 23.284 -4.587 1.00 0.00 C ATOM 972 OG1 THR A 66 18.551 24.162 -5.690 1.00 0.00 O ATOM 973 CG2 THR A 66 16.979 23.077 -4.275 1.00 0.00 C ATOM 0 H THR A 66 21.210 23.547 -3.845 1.00 0.00 H new ATOM 0 HA THR A 66 18.623 24.736 -3.031 1.00 0.00 H new ATOM 0 HB THR A 66 18.928 22.325 -4.816 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.079 23.774 -6.456 1.00 0.00 H new ATOM 0 HG21 THR A 66 16.480 22.653 -5.146 1.00 0.00 H new ATOM 0 HG22 THR A 66 16.877 22.395 -3.431 1.00 0.00 H new ATOM 0 HG23 THR A 66 16.523 24.035 -4.025 1.00 0.00 H new ATOM 981 N PRO A 67 19.784 23.325 -1.056 1.00 0.00 N ATOM 982 CA PRO A 67 20.012 22.471 0.099 1.00 0.00 C ATOM 983 C PRO A 67 18.696 21.991 0.721 1.00 0.00 C ATOM 984 O PRO A 67 18.709 21.093 1.561 1.00 0.00 O ATOM 985 CB PRO A 67 20.800 23.339 1.079 1.00 0.00 C ATOM 986 CG PRO A 67 20.313 24.749 0.759 1.00 0.00 C ATOM 987 CD PRO A 67 20.148 24.697 -0.759 1.00 0.00 C ATOM 0 HA PRO A 67 20.551 21.563 -0.174 1.00 0.00 H new ATOM 0 HB2 PRO A 67 20.595 23.067 2.114 1.00 0.00 H new ATOM 0 HB3 PRO A 67 21.875 23.240 0.931 1.00 0.00 H new ATOM 0 HG2 PRO A 67 19.374 24.980 1.263 1.00 0.00 H new ATOM 0 HG3 PRO A 67 21.034 25.508 1.064 1.00 0.00 H new ATOM 0 HD2 PRO A 67 19.377 25.390 -1.095 1.00 0.00 H new ATOM 0 HD3 PRO A 67 21.072 24.978 -1.265 1.00 0.00 H new ATOM 995 N VAL A 68 17.565 22.579 0.315 1.00 0.00 N ATOM 996 CA VAL A 68 16.255 22.191 0.829 1.00 0.00 C ATOM 997 C VAL A 68 15.833 20.833 0.275 1.00 0.00 C ATOM 998 O VAL A 68 14.893 20.222 0.782 1.00 0.00 O ATOM 999 CB VAL A 68 15.213 23.263 0.496 1.00 0.00 C ATOM 1000 CG1 VAL A 68 15.587 24.581 1.174 1.00 0.00 C ATOM 1001 CG2 VAL A 68 15.098 23.488 -1.014 1.00 0.00 C ATOM 0 H VAL A 68 17.536 23.331 -0.374 1.00 0.00 H new ATOM 0 HA VAL A 68 16.324 22.103 1.913 1.00 0.00 H new ATOM 0 HB VAL A 68 14.249 22.912 0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 68 14.841 25.339 0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.622 24.437 2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.565 24.908 0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.349 24.255 -1.212 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.061 23.811 -1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 68 14.801 22.558 -1.499 1.00 0.00 H new ATOM 1011 N ALA A 69 16.524 20.346 -0.760 1.00 0.00 N ATOM 1012 CA ALA A 69 16.228 19.044 -1.329 1.00 0.00 C ATOM 1013 C ALA A 69 16.638 17.935 -0.362 1.00 0.00 C ATOM 1014 O ALA A 69 16.097 16.834 -0.414 1.00 0.00 O ATOM 1015 CB ALA A 69 16.971 18.905 -2.657 1.00 0.00 C ATOM 0 H ALA A 69 17.291 20.840 -1.216 1.00 0.00 H new ATOM 0 HA ALA A 69 15.156 18.954 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.756 17.930 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.644 19.689 -3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 69 18.043 18.997 -2.485 1.00 0.00 H new ATOM 1021 N GLU A 70 17.593 18.221 0.528 1.00 0.00 N ATOM 1022 CA GLU A 70 18.035 17.243 1.510 1.00 0.00 C ATOM 1023 C GLU A 70 17.090 17.227 2.711 1.00 0.00 C ATOM 1024 O GLU A 70 17.095 16.272 3.484 1.00 0.00 O ATOM 1025 CB GLU A 70 19.483 17.510 1.916 1.00 0.00 C ATOM 1026 CG GLU A 70 20.392 17.368 0.696 1.00 0.00 C ATOM 1027 CD GLU A 70 21.858 17.299 1.107 1.00 0.00 C ATOM 1028 OE1 GLU A 70 22.417 18.354 1.479 1.00 0.00 O ATOM 1029 OE2 GLU A 70 22.418 16.179 1.045 1.00 0.00 O ATOM 0 H GLU A 70 18.070 19.121 0.584 1.00 0.00 H new ATOM 0 HA GLU A 70 18.004 16.249 1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 70 19.575 18.512 2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 70 19.788 16.809 2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 70 20.124 16.468 0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 70 20.239 18.213 0.025 1.00 0.00 H new ATOM 1036 N ALA A 71 16.274 18.273 2.878 1.00 0.00 N ATOM 1037 CA ALA A 71 15.243 18.269 3.902 1.00 0.00 C ATOM 1038 C ALA A 71 14.101 17.357 3.451 1.00 0.00 C ATOM 1039 O ALA A 71 13.432 16.740 4.279 1.00 0.00 O ATOM 1040 CB ALA A 71 14.751 19.694 4.140 1.00 0.00 C ATOM 0 H ALA A 71 16.313 19.124 2.318 1.00 0.00 H new ATOM 0 HA ALA A 71 15.644 17.890 4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 71 13.978 19.688 4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 71 15.584 20.316 4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 71 14.340 20.096 3.214 1.00 0.00 H new ATOM 1046 N LEU A 72 13.879 17.264 2.135 1.00 0.00 N ATOM 1047 CA LEU A 72 12.911 16.326 1.587 1.00 0.00 C ATOM 1048 C LEU A 72 13.473 14.906 1.657 1.00 0.00 C ATOM 1049 O LEU A 72 12.711 13.944 1.736 1.00 0.00 O ATOM 1050 CB LEU A 72 12.580 16.709 0.142 1.00 0.00 C ATOM 1051 CG LEU A 72 11.953 18.101 0.029 1.00 0.00 C ATOM 1052 CD1 LEU A 72 11.677 18.411 -1.441 1.00 0.00 C ATOM 1053 CD2 LEU A 72 10.636 18.182 0.800 1.00 0.00 C ATOM 0 H LEU A 72 14.360 17.830 1.435 1.00 0.00 H new ATOM 0 HA LEU A 72 11.993 16.364 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.491 16.675 -0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.896 15.972 -0.277 1.00 0.00 H new ATOM 0 HG LEU A 72 12.652 18.822 0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.230 19.402 -1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.612 18.385 -2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.991 17.668 -1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.217 19.183 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.933 17.452 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.817 17.969 1.853 1.00 0.00 H new ATOM 1065 N ALA A 73 14.802 14.766 1.636 1.00 0.00 N ATOM 1066 CA ALA A 73 15.450 13.472 1.782 1.00 0.00 C ATOM 1067 C ALA A 73 15.401 13.019 3.242 1.00 0.00 C ATOM 1068 O ALA A 73 15.461 11.821 3.519 1.00 0.00 O ATOM 1069 CB ALA A 73 16.887 13.569 1.275 1.00 0.00 C ATOM 0 H ALA A 73 15.450 15.545 1.518 1.00 0.00 H new ATOM 0 HA ALA A 73 14.923 12.725 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 73 17.377 12.601 1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 73 16.883 13.859 0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.428 14.316 1.856 1.00 0.00 H new ATOM 1075 N ALA A 74 15.291 13.970 4.176 1.00 0.00 N ATOM 1076 CA ALA A 74 15.095 13.666 5.585 1.00 0.00 C ATOM 1077 C ALA A 74 13.627 13.316 5.845 1.00 0.00 C ATOM 1078 O ALA A 74 13.301 12.741 6.882 1.00 0.00 O ATOM 1079 CB ALA A 74 15.536 14.865 6.424 1.00 0.00 C ATOM 0 H ALA A 74 15.336 14.968 3.970 1.00 0.00 H new ATOM 0 HA ALA A 74 15.699 12.803 5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.391 14.642 7.481 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.590 15.071 6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.942 15.737 6.152 1.00 0.00 H new ATOM 1085 N ARG A 75 12.751 13.664 4.896 1.00 0.00 N ATOM 1086 CA ARG A 75 11.347 13.277 4.907 1.00 0.00 C ATOM 1087 C ARG A 75 11.158 11.963 4.137 1.00 0.00 C ATOM 1088 O ARG A 75 10.037 11.585 3.809 1.00 0.00 O ATOM 1089 CB ARG A 75 10.502 14.435 4.355 1.00 0.00 C ATOM 1090 CG ARG A 75 8.996 14.286 4.599 1.00 0.00 C ATOM 1091 CD ARG A 75 8.684 14.090 6.086 1.00 0.00 C ATOM 1092 NE ARG A 75 7.238 14.046 6.323 1.00 0.00 N ATOM 1093 CZ ARG A 75 6.493 15.092 6.699 1.00 0.00 C ATOM 1094 NH1 ARG A 75 7.030 16.296 6.873 1.00 0.00 N ATOM 1095 NH2 ARG A 75 5.189 14.943 6.907 1.00 0.00 N ATOM 0 H ARG A 75 13.008 14.232 4.088 1.00 0.00 H new ATOM 0 HA ARG A 75 11.006 13.086 5.925 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.842 15.366 4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.678 14.520 3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.478 15.171 4.231 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.617 13.436 4.032 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.141 13.165 6.437 1.00 0.00 H new ATOM 0 HD3 ARG A 75 9.125 14.903 6.663 1.00 0.00 H new ATOM 0 HE ARG A 75 6.765 13.152 6.192 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.029 16.436 6.719 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.443 17.079 7.160 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.753 14.029 6.780 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.624 15.742 7.194 1.00 0.00 H new ATOM 1109 N ASP A 76 12.265 11.267 3.851 1.00 0.00 N ATOM 1110 CA ASP A 76 12.281 9.992 3.138 1.00 0.00 C ATOM 1111 C ASP A 76 11.703 10.073 1.720 1.00 0.00 C ATOM 1112 O ASP A 76 11.141 9.095 1.228 1.00 0.00 O ATOM 1113 CB ASP A 76 11.633 8.893 3.985 1.00 0.00 C ATOM 1114 CG ASP A 76 12.308 8.772 5.349 1.00 0.00 C ATOM 1115 OD1 ASP A 76 13.468 8.301 5.379 1.00 0.00 O ATOM 1116 OD2 ASP A 76 11.661 9.150 6.351 1.00 0.00 O ATOM 0 H ASP A 76 13.196 11.587 4.118 1.00 0.00 H new ATOM 0 HA ASP A 76 13.327 9.724 2.988 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.574 9.112 4.119 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.698 7.940 3.459 1.00 0.00 H new ATOM 1121 N ILE A 77 11.834 11.229 1.059 1.00 0.00 N ATOM 1122 CA ILE A 77 11.400 11.398 -0.323 1.00 0.00 C ATOM 1123 C ILE A 77 12.617 11.671 -1.214 1.00 0.00 C ATOM 1124 O ILE A 77 13.371 12.604 -0.939 1.00 0.00 O ATOM 1125 CB ILE A 77 10.355 12.517 -0.417 1.00 0.00 C ATOM 1126 CG1 ILE A 77 9.121 12.140 0.413 1.00 0.00 C ATOM 1127 CG2 ILE A 77 9.956 12.740 -1.877 1.00 0.00 C ATOM 1128 CD1 ILE A 77 8.040 13.222 0.363 1.00 0.00 C ATOM 0 H ILE A 77 12.243 12.068 1.470 1.00 0.00 H new ATOM 0 HA ILE A 77 10.925 10.482 -0.676 1.00 0.00 H new ATOM 0 HB ILE A 77 10.782 13.440 -0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.710 11.200 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.418 11.973 1.448 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.214 13.536 -1.934 1.00 0.00 H new ATOM 0 HG22 ILE A 77 10.836 13.022 -2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.534 11.821 -2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.186 12.911 0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.441 14.156 0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.722 13.371 -0.669 1.00 0.00 H new ATOM 1140 N PRO A 78 12.823 10.875 -2.274 1.00 0.00 N ATOM 1141 CA PRO A 78 13.922 11.034 -3.210 1.00 0.00 C ATOM 1142 C PRO A 78 13.674 12.209 -4.153 1.00 0.00 C ATOM 1143 O PRO A 78 12.539 12.659 -4.312 1.00 0.00 O ATOM 1144 CB PRO A 78 13.978 9.715 -3.980 1.00 0.00 C ATOM 1145 CG PRO A 78 12.512 9.294 -4.015 1.00 0.00 C ATOM 1146 CD PRO A 78 12.004 9.740 -2.645 1.00 0.00 C ATOM 0 HA PRO A 78 14.862 11.250 -2.702 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.387 9.846 -4.982 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.601 8.976 -3.476 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.970 9.780 -4.826 1.00 0.00 H new ATOM 0 HG3 PRO A 78 12.402 8.219 -4.158 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.950 10.015 -2.689 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.094 8.937 -1.914 1.00 0.00 H new ATOM 1154 N PHE A 79 14.741 12.706 -4.785 1.00 0.00 N ATOM 1155 CA PHE A 79 14.650 13.848 -5.683 1.00 0.00 C ATOM 1156 C PHE A 79 15.737 13.813 -6.755 1.00 0.00 C ATOM 1157 O PHE A 79 16.654 12.996 -6.706 1.00 0.00 O ATOM 1158 CB PHE A 79 14.772 15.134 -4.867 1.00 0.00 C ATOM 1159 CG PHE A 79 16.127 15.325 -4.222 1.00 0.00 C ATOM 1160 CD1 PHE A 79 17.119 16.075 -4.870 1.00 0.00 C ATOM 1161 CD2 PHE A 79 16.389 14.747 -2.971 1.00 0.00 C ATOM 1162 CE1 PHE A 79 18.367 16.261 -4.259 1.00 0.00 C ATOM 1163 CE2 PHE A 79 17.640 14.932 -2.366 1.00 0.00 C ATOM 1164 CZ PHE A 79 18.622 15.699 -3.003 1.00 0.00 C ATOM 0 H PHE A 79 15.683 12.328 -4.686 1.00 0.00 H new ATOM 0 HA PHE A 79 13.686 13.809 -6.190 1.00 0.00 H new ATOM 0 HB2 PHE A 79 14.566 15.985 -5.516 1.00 0.00 H new ATOM 0 HB3 PHE A 79 14.008 15.133 -4.090 1.00 0.00 H new ATOM 0 HD1 PHE A 79 16.922 16.509 -5.839 1.00 0.00 H new ATOM 0 HD2 PHE A 79 15.629 14.161 -2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 79 19.132 16.838 -4.758 1.00 0.00 H new ATOM 0 HE2 PHE A 79 17.846 14.482 -1.406 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.577 15.857 -2.525 1.00 0.00 H new ATOM 1174 N VAL A 80 15.620 14.720 -7.728 1.00 0.00 N ATOM 1175 CA VAL A 80 16.599 14.909 -8.788 1.00 0.00 C ATOM 1176 C VAL A 80 16.641 16.388 -9.169 1.00 0.00 C ATOM 1177 O VAL A 80 15.611 17.066 -9.148 1.00 0.00 O ATOM 1178 CB VAL A 80 16.256 14.011 -9.986 1.00 0.00 C ATOM 1179 CG1 VAL A 80 14.866 14.327 -10.542 1.00 0.00 C ATOM 1180 CG2 VAL A 80 17.277 14.169 -11.111 1.00 0.00 C ATOM 0 H VAL A 80 14.824 15.354 -7.798 1.00 0.00 H new ATOM 0 HA VAL A 80 17.592 14.619 -8.444 1.00 0.00 H new ATOM 0 HB VAL A 80 16.275 12.985 -9.619 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.656 13.673 -11.389 1.00 0.00 H new ATOM 0 HG12 VAL A 80 14.118 14.167 -9.765 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.833 15.366 -10.869 1.00 0.00 H new ATOM 0 HG21 VAL A 80 17.005 13.520 -11.943 1.00 0.00 H new ATOM 0 HG22 VAL A 80 17.289 15.205 -11.448 1.00 0.00 H new ATOM 0 HG23 VAL A 80 18.267 13.895 -10.745 1.00 0.00 H new ATOM 1190 N PHE A 81 17.828 16.897 -9.515 1.00 0.00 N ATOM 1191 CA PHE A 81 17.994 18.285 -9.915 1.00 0.00 C ATOM 1192 C PHE A 81 17.695 18.461 -11.404 1.00 0.00 C ATOM 1193 O PHE A 81 17.828 17.521 -12.183 1.00 0.00 O ATOM 1194 CB PHE A 81 19.419 18.752 -9.618 1.00 0.00 C ATOM 1195 CG PHE A 81 19.789 18.882 -8.154 1.00 0.00 C ATOM 1196 CD1 PHE A 81 21.032 18.407 -7.705 1.00 0.00 C ATOM 1197 CD2 PHE A 81 18.912 19.494 -7.247 1.00 0.00 C ATOM 1198 CE1 PHE A 81 21.409 18.568 -6.365 1.00 0.00 C ATOM 1199 CE2 PHE A 81 19.281 19.637 -5.900 1.00 0.00 C ATOM 1200 CZ PHE A 81 20.533 19.183 -5.461 1.00 0.00 C ATOM 0 H PHE A 81 18.693 16.356 -9.524 1.00 0.00 H new ATOM 0 HA PHE A 81 17.289 18.890 -9.344 1.00 0.00 H new ATOM 0 HB2 PHE A 81 20.113 18.054 -10.086 1.00 0.00 H new ATOM 0 HB3 PHE A 81 19.569 19.720 -10.097 1.00 0.00 H new ATOM 0 HD1 PHE A 81 21.701 17.915 -8.396 1.00 0.00 H new ATOM 0 HD2 PHE A 81 17.952 19.856 -7.585 1.00 0.00 H new ATOM 0 HE1 PHE A 81 22.374 18.218 -6.029 1.00 0.00 H new ATOM 0 HE2 PHE A 81 18.599 20.098 -5.200 1.00 0.00 H new ATOM 0 HZ PHE A 81 20.822 19.307 -4.428 1.00 0.00 H new ATOM 1210 N ALA A 82 17.295 19.672 -11.799 1.00 0.00 N ATOM 1211 CA ALA A 82 17.098 20.032 -13.192 1.00 0.00 C ATOM 1212 C ALA A 82 17.805 21.359 -13.464 1.00 0.00 C ATOM 1213 O ALA A 82 17.486 22.374 -12.847 1.00 0.00 O ATOM 1214 CB ALA A 82 15.600 20.117 -13.492 1.00 0.00 C ATOM 0 H ALA A 82 17.099 20.433 -11.149 1.00 0.00 H new ATOM 0 HA ALA A 82 17.525 19.274 -13.848 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.453 20.387 -14.538 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.135 19.151 -13.298 1.00 0.00 H new ATOM 0 HB3 ALA A 82 15.144 20.874 -12.854 1.00 0.00 H new ATOM 1220 N THR A 83 18.768 21.352 -14.390 1.00 0.00 N ATOM 1221 CA THR A 83 19.608 22.514 -14.645 1.00 0.00 C ATOM 1222 C THR A 83 20.134 22.518 -16.078 1.00 0.00 C ATOM 1223 O THR A 83 19.947 21.555 -16.820 1.00 0.00 O ATOM 1224 CB THR A 83 20.765 22.512 -13.639 1.00 0.00 C ATOM 1225 OG1 THR A 83 21.498 23.712 -13.740 1.00 0.00 O ATOM 1226 CG2 THR A 83 21.706 21.330 -13.873 1.00 0.00 C ATOM 0 H THR A 83 18.982 20.546 -14.977 1.00 0.00 H new ATOM 0 HA THR A 83 19.014 23.420 -14.523 1.00 0.00 H new ATOM 0 HB THR A 83 20.334 22.422 -12.642 1.00 0.00 H new ATOM 0 HG1 THR A 83 22.233 23.702 -13.092 1.00 0.00 H new ATOM 0 HG21 THR A 83 22.515 21.359 -13.143 1.00 0.00 H new ATOM 0 HG22 THR A 83 21.152 20.397 -13.765 1.00 0.00 H new ATOM 0 HG23 THR A 83 22.123 21.390 -14.878 1.00 0.00 H new ATOM 1234 N GLY A 84 20.799 23.609 -16.467 1.00 0.00 N ATOM 1235 CA GLY A 84 21.419 23.751 -17.770 1.00 0.00 C ATOM 1236 C GLY A 84 22.378 24.936 -17.760 1.00 0.00 C ATOM 1237 O GLY A 84 22.042 26.002 -17.245 1.00 0.00 O ATOM 0 H GLY A 84 20.919 24.427 -15.870 1.00 0.00 H new ATOM 0 HA2 GLY A 84 21.957 22.839 -18.028 1.00 0.00 H new ATOM 0 HA3 GLY A 84 20.654 23.897 -18.533 1.00 0.00 H new ATOM 1241 N GLY A 85 23.573 24.751 -18.326 1.00 0.00 N ATOM 1242 CA GLY A 85 24.603 25.777 -18.354 1.00 0.00 C ATOM 1243 C GLY A 85 25.995 25.156 -18.373 1.00 0.00 C ATOM 1244 O GLY A 85 26.168 24.010 -18.793 1.00 0.00 O ATOM 0 H GLY A 85 23.849 23.879 -18.778 1.00 0.00 H new ATOM 0 HA2 GLY A 85 24.470 26.406 -19.234 1.00 0.00 H new ATOM 0 HA3 GLY A 85 24.501 26.423 -17.482 1.00 0.00 H new ATOM 1248 N SER A 86 26.993 25.913 -17.915 1.00 0.00 N ATOM 1249 CA SER A 86 28.369 25.440 -17.822 1.00 0.00 C ATOM 1250 C SER A 86 28.555 24.567 -16.583 1.00 0.00 C ATOM 1251 O SER A 86 27.640 24.415 -15.773 1.00 0.00 O ATOM 1252 CB SER A 86 29.319 26.634 -17.802 1.00 0.00 C ATOM 1253 OG SER A 86 29.090 27.409 -16.643 1.00 0.00 O ATOM 0 H SER A 86 26.866 26.874 -17.598 1.00 0.00 H new ATOM 0 HA SER A 86 28.597 24.827 -18.694 1.00 0.00 H new ATOM 0 HB2 SER A 86 30.353 26.288 -17.821 1.00 0.00 H new ATOM 0 HB3 SER A 86 29.170 27.244 -18.693 1.00 0.00 H new ATOM 0 HG SER A 86 29.703 28.173 -16.634 1.00 0.00 H new ATOM 1259 N ASP A 87 29.749 23.988 -16.427 1.00 0.00 N ATOM 1260 CA ASP A 87 30.064 23.125 -15.297 1.00 0.00 C ATOM 1261 C ASP A 87 30.164 23.910 -13.985 1.00 0.00 C ATOM 1262 O ASP A 87 30.301 23.310 -12.919 1.00 0.00 O ATOM 1263 CB ASP A 87 31.376 22.388 -15.581 1.00 0.00 C ATOM 1264 CG ASP A 87 31.268 21.515 -16.830 1.00 0.00 C ATOM 1265 OD1 ASP A 87 31.712 21.978 -17.903 1.00 0.00 O ATOM 1266 OD2 ASP A 87 30.740 20.388 -16.698 1.00 0.00 O ATOM 0 H ASP A 87 30.521 24.108 -17.083 1.00 0.00 H new ATOM 0 HA ASP A 87 29.252 22.408 -15.176 1.00 0.00 H new ATOM 0 HB2 ASP A 87 32.181 23.112 -15.710 1.00 0.00 H new ATOM 0 HB3 ASP A 87 31.639 21.768 -14.724 1.00 0.00 H new ATOM 1271 N ASP A 88 30.094 25.244 -14.052 1.00 0.00 N ATOM 1272 CA ASP A 88 30.153 26.103 -12.875 1.00 0.00 C ATOM 1273 C ASP A 88 28.752 26.412 -12.346 1.00 0.00 C ATOM 1274 O ASP A 88 28.611 27.005 -11.278 1.00 0.00 O ATOM 1275 CB ASP A 88 30.914 27.379 -13.236 1.00 0.00 C ATOM 1276 CG ASP A 88 31.121 28.271 -12.016 1.00 0.00 C ATOM 1277 OD1 ASP A 88 31.899 27.865 -11.123 1.00 0.00 O ATOM 1278 OD2 ASP A 88 30.499 29.358 -11.979 1.00 0.00 O ATOM 0 H ASP A 88 29.995 25.755 -14.929 1.00 0.00 H new ATOM 0 HA ASP A 88 30.681 25.588 -12.073 1.00 0.00 H new ATOM 0 HB2 ASP A 88 31.881 27.118 -13.665 1.00 0.00 H new ATOM 0 HB3 ASP A 88 30.364 27.928 -14.000 1.00 0.00 H new ATOM 1283 N SER A 89 27.706 26.016 -13.081 1.00 0.00 N ATOM 1284 CA SER A 89 26.329 26.234 -12.663 1.00 0.00 C ATOM 1285 C SER A 89 25.890 25.207 -11.615 1.00 0.00 C ATOM 1286 O SER A 89 24.747 25.237 -11.163 1.00 0.00 O ATOM 1287 CB SER A 89 25.406 26.202 -13.881 1.00 0.00 C ATOM 1288 OG SER A 89 25.765 27.227 -14.787 1.00 0.00 O ATOM 0 H SER A 89 27.797 25.538 -13.977 1.00 0.00 H new ATOM 0 HA SER A 89 26.264 27.217 -12.196 1.00 0.00 H new ATOM 0 HB2 SER A 89 25.472 25.231 -14.372 1.00 0.00 H new ATOM 0 HB3 SER A 89 24.370 26.330 -13.566 1.00 0.00 H new ATOM 0 HG SER A 89 25.170 27.199 -15.565 1.00 0.00 H new ATOM 1294 N VAL A 90 26.794 24.299 -11.230 1.00 0.00 N ATOM 1295 CA VAL A 90 26.516 23.264 -10.246 1.00 0.00 C ATOM 1296 C VAL A 90 27.714 23.064 -9.321 1.00 0.00 C ATOM 1297 O VAL A 90 28.858 23.319 -9.700 1.00 0.00 O ATOM 1298 CB VAL A 90 26.136 21.944 -10.929 1.00 0.00 C ATOM 1299 CG1 VAL A 90 24.757 22.042 -11.579 1.00 0.00 C ATOM 1300 CG2 VAL A 90 27.163 21.530 -11.986 1.00 0.00 C ATOM 0 H VAL A 90 27.744 24.267 -11.599 1.00 0.00 H new ATOM 0 HA VAL A 90 25.667 23.590 -9.645 1.00 0.00 H new ATOM 0 HB VAL A 90 26.117 21.183 -10.149 1.00 0.00 H new ATOM 0 HG11 VAL A 90 24.511 21.093 -12.056 1.00 0.00 H new ATOM 0 HG12 VAL A 90 24.011 22.269 -10.817 1.00 0.00 H new ATOM 0 HG13 VAL A 90 24.763 22.834 -12.328 1.00 0.00 H new ATOM 0 HG21 VAL A 90 26.855 20.590 -12.444 1.00 0.00 H new ATOM 0 HG22 VAL A 90 27.229 22.303 -12.752 1.00 0.00 H new ATOM 0 HG23 VAL A 90 28.138 21.402 -11.515 1.00 0.00 H new ATOM 1310 N ASP A 91 27.436 22.601 -8.102 1.00 0.00 N ATOM 1311 CA ASP A 91 28.429 22.400 -7.058 1.00 0.00 C ATOM 1312 C ASP A 91 28.646 20.904 -6.805 1.00 0.00 C ATOM 1313 O ASP A 91 27.990 20.062 -7.419 1.00 0.00 O ATOM 1314 CB ASP A 91 27.950 23.137 -5.804 1.00 0.00 C ATOM 1315 CG ASP A 91 29.001 23.143 -4.700 1.00 0.00 C ATOM 1316 OD1 ASP A 91 28.757 22.471 -3.672 1.00 0.00 O ATOM 1317 OD2 ASP A 91 30.035 23.816 -4.890 1.00 0.00 O ATOM 0 H ASP A 91 26.491 22.351 -7.811 1.00 0.00 H new ATOM 0 HA ASP A 91 29.396 22.804 -7.359 1.00 0.00 H new ATOM 0 HB2 ASP A 91 27.694 24.164 -6.064 1.00 0.00 H new ATOM 0 HB3 ASP A 91 27.040 22.666 -5.434 1.00 0.00 H new ATOM 1322 N SER A 92 29.566 20.557 -5.902 1.00 0.00 N ATOM 1323 CA SER A 92 29.882 19.167 -5.609 1.00 0.00 C ATOM 1324 C SER A 92 28.671 18.408 -5.058 1.00 0.00 C ATOM 1325 O SER A 92 28.663 17.179 -5.088 1.00 0.00 O ATOM 1326 CB SER A 92 31.037 19.110 -4.608 1.00 0.00 C ATOM 1327 OG SER A 92 32.159 19.782 -5.141 1.00 0.00 O ATOM 0 H SER A 92 30.107 21.230 -5.359 1.00 0.00 H new ATOM 0 HA SER A 92 30.172 18.683 -6.541 1.00 0.00 H new ATOM 0 HB2 SER A 92 30.738 19.570 -3.666 1.00 0.00 H new ATOM 0 HB3 SER A 92 31.291 18.073 -4.390 1.00 0.00 H new ATOM 0 HG SER A 92 32.898 19.746 -4.498 1.00 0.00 H new ATOM 1333 N ARG A 93 27.644 19.105 -4.561 1.00 0.00 N ATOM 1334 CA ARG A 93 26.452 18.430 -4.061 1.00 0.00 C ATOM 1335 C ARG A 93 25.571 17.946 -5.207 1.00 0.00 C ATOM 1336 O ARG A 93 24.756 17.051 -5.019 1.00 0.00 O ATOM 1337 CB ARG A 93 25.666 19.344 -3.115 1.00 0.00 C ATOM 1338 CG ARG A 93 26.507 19.821 -1.926 1.00 0.00 C ATOM 1339 CD ARG A 93 27.325 18.708 -1.255 1.00 0.00 C ATOM 1340 NE ARG A 93 26.559 17.469 -1.041 1.00 0.00 N ATOM 1341 CZ ARG A 93 25.477 17.345 -0.271 1.00 0.00 C ATOM 1342 NH1 ARG A 93 24.981 18.380 0.398 1.00 0.00 N ATOM 1343 NH2 ARG A 93 24.881 16.162 -0.170 1.00 0.00 N ATOM 0 H ARG A 93 27.617 20.123 -4.496 1.00 0.00 H new ATOM 0 HA ARG A 93 26.775 17.554 -3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 93 25.303 20.209 -3.669 1.00 0.00 H new ATOM 0 HB3 ARG A 93 24.790 18.812 -2.746 1.00 0.00 H new ATOM 0 HG2 ARG A 93 27.186 20.603 -2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 93 25.847 20.271 -1.184 1.00 0.00 H new ATOM 0 HD2 ARG A 93 28.197 18.486 -1.871 1.00 0.00 H new ATOM 0 HD3 ARG A 93 27.696 19.068 -0.295 1.00 0.00 H new ATOM 0 HE ARG A 93 26.884 16.632 -1.524 1.00 0.00 H new ATOM 0 HH11 ARG A 93 25.429 19.294 0.329 1.00 0.00 H new ATOM 0 HH12 ARG A 93 24.152 18.261 0.981 1.00 0.00 H new ATOM 0 HH21 ARG A 93 25.251 15.359 -0.679 1.00 0.00 H new ATOM 0 HH22 ARG A 93 24.053 16.056 0.416 1.00 0.00 H new ATOM 1357 N PHE A 94 25.732 18.529 -6.396 1.00 0.00 N ATOM 1358 CA PHE A 94 25.042 18.072 -7.593 1.00 0.00 C ATOM 1359 C PHE A 94 25.839 16.926 -8.200 1.00 0.00 C ATOM 1360 O PHE A 94 25.317 16.143 -8.990 1.00 0.00 O ATOM 1361 CB PHE A 94 24.928 19.223 -8.589 1.00 0.00 C ATOM 1362 CG PHE A 94 24.207 20.439 -8.056 1.00 0.00 C ATOM 1363 CD1 PHE A 94 22.916 20.742 -8.501 1.00 0.00 C ATOM 1364 CD2 PHE A 94 24.836 21.264 -7.113 1.00 0.00 C ATOM 1365 CE1 PHE A 94 22.249 21.863 -7.991 1.00 0.00 C ATOM 1366 CE2 PHE A 94 24.172 22.391 -6.609 1.00 0.00 C ATOM 1367 CZ PHE A 94 22.876 22.688 -7.047 1.00 0.00 C ATOM 0 H PHE A 94 26.344 19.330 -6.551 1.00 0.00 H new ATOM 0 HA PHE A 94 24.038 17.729 -7.344 1.00 0.00 H new ATOM 0 HB2 PHE A 94 25.930 19.517 -8.902 1.00 0.00 H new ATOM 0 HB3 PHE A 94 24.408 18.868 -9.479 1.00 0.00 H new ATOM 0 HD1 PHE A 94 22.435 20.113 -9.236 1.00 0.00 H new ATOM 0 HD2 PHE A 94 25.835 21.031 -6.774 1.00 0.00 H new ATOM 0 HE1 PHE A 94 21.248 22.093 -8.326 1.00 0.00 H new ATOM 0 HE2 PHE A 94 24.659 23.028 -5.885 1.00 0.00 H new ATOM 0 HZ PHE A 94 22.359 23.553 -6.658 1.00 0.00 H new ATOM 1377 N ARG A 95 27.117 16.829 -7.824 1.00 0.00 N ATOM 1378 CA ARG A 95 27.975 15.712 -8.184 1.00 0.00 C ATOM 1379 C ARG A 95 27.850 14.593 -7.149 1.00 0.00 C ATOM 1380 O ARG A 95 28.430 13.523 -7.319 1.00 0.00 O ATOM 1381 CB ARG A 95 29.409 16.225 -8.332 1.00 0.00 C ATOM 1382 CG ARG A 95 29.454 17.335 -9.390 1.00 0.00 C ATOM 1383 CD ARG A 95 30.884 17.844 -9.570 1.00 0.00 C ATOM 1384 NE ARG A 95 31.004 18.706 -10.754 1.00 0.00 N ATOM 1385 CZ ARG A 95 30.672 20.000 -10.808 1.00 0.00 C ATOM 1386 NH1 ARG A 95 30.175 20.628 -9.746 1.00 0.00 N ATOM 1387 NH2 ARG A 95 30.844 20.677 -11.938 1.00 0.00 N ATOM 0 H ARG A 95 27.584 17.535 -7.255 1.00 0.00 H new ATOM 0 HA ARG A 95 27.669 15.283 -9.138 1.00 0.00 H new ATOM 0 HB2 ARG A 95 29.770 16.605 -7.376 1.00 0.00 H new ATOM 0 HB3 ARG A 95 30.070 15.408 -8.620 1.00 0.00 H new ATOM 0 HG2 ARG A 95 29.074 16.957 -10.339 1.00 0.00 H new ATOM 0 HG3 ARG A 95 28.804 18.157 -9.091 1.00 0.00 H new ATOM 0 HD2 ARG A 95 31.188 18.399 -8.682 1.00 0.00 H new ATOM 0 HD3 ARG A 95 31.564 16.997 -9.665 1.00 0.00 H new ATOM 0 HE ARG A 95 31.371 18.282 -11.606 1.00 0.00 H new ATOM 0 HH11 ARG A 95 30.041 20.122 -8.871 1.00 0.00 H new ATOM 0 HH12 ARG A 95 29.928 21.616 -9.807 1.00 0.00 H new ATOM 0 HH21 ARG A 95 31.228 20.209 -12.759 1.00 0.00 H new ATOM 0 HH22 ARG A 95 30.592 21.664 -11.984 1.00 0.00 H new ATOM 1401 N ASP A 96 27.091 14.848 -6.077 1.00 0.00 N ATOM 1402 CA ASP A 96 26.801 13.889 -5.019 1.00 0.00 C ATOM 1403 C ASP A 96 25.328 13.457 -5.037 1.00 0.00 C ATOM 1404 O ASP A 96 24.956 12.505 -4.352 1.00 0.00 O ATOM 1405 CB ASP A 96 27.174 14.536 -3.683 1.00 0.00 C ATOM 1406 CG ASP A 96 26.911 13.625 -2.486 1.00 0.00 C ATOM 1407 OD1 ASP A 96 26.146 14.057 -1.593 1.00 0.00 O ATOM 1408 OD2 ASP A 96 27.473 12.508 -2.470 1.00 0.00 O ATOM 0 H ASP A 96 26.652 15.755 -5.923 1.00 0.00 H new ATOM 0 HA ASP A 96 27.387 12.983 -5.172 1.00 0.00 H new ATOM 0 HB2 ASP A 96 28.229 14.809 -3.700 1.00 0.00 H new ATOM 0 HB3 ASP A 96 26.607 15.459 -3.562 1.00 0.00 H new ATOM 1413 N ARG A 97 24.488 14.150 -5.816 1.00 0.00 N ATOM 1414 CA ARG A 97 23.068 13.843 -5.958 1.00 0.00 C ATOM 1415 C ARG A 97 22.713 13.665 -7.437 1.00 0.00 C ATOM 1416 O ARG A 97 23.479 14.084 -8.304 1.00 0.00 O ATOM 1417 CB ARG A 97 22.238 14.974 -5.341 1.00 0.00 C ATOM 1418 CG ARG A 97 22.459 15.132 -3.834 1.00 0.00 C ATOM 1419 CD ARG A 97 21.984 13.895 -3.068 1.00 0.00 C ATOM 1420 NE ARG A 97 22.030 14.125 -1.619 1.00 0.00 N ATOM 1421 CZ ARG A 97 21.726 13.200 -0.705 1.00 0.00 C ATOM 1422 NH1 ARG A 97 21.363 11.973 -1.071 1.00 0.00 N ATOM 1423 NH2 ARG A 97 21.788 13.506 0.586 1.00 0.00 N ATOM 0 H ARG A 97 24.785 14.952 -6.372 1.00 0.00 H new ATOM 0 HA ARG A 97 22.845 12.912 -5.437 1.00 0.00 H new ATOM 0 HB2 ARG A 97 22.487 15.911 -5.838 1.00 0.00 H new ATOM 0 HB3 ARG A 97 21.181 14.784 -5.529 1.00 0.00 H new ATOM 0 HG2 ARG A 97 23.517 15.301 -3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 97 21.923 16.011 -3.476 1.00 0.00 H new ATOM 0 HD2 ARG A 97 20.966 13.645 -3.368 1.00 0.00 H new ATOM 0 HD3 ARG A 97 22.611 13.041 -3.325 1.00 0.00 H new ATOM 0 HE ARG A 97 22.312 15.048 -1.290 1.00 0.00 H new ATOM 0 HH11 ARG A 97 21.314 11.729 -2.060 1.00 0.00 H new ATOM 0 HH12 ARG A 97 21.134 11.276 -0.362 1.00 0.00 H new ATOM 0 HH21 ARG A 97 22.067 14.444 0.875 1.00 0.00 H new ATOM 0 HH22 ARG A 97 21.557 12.803 1.288 1.00 0.00 H new ATOM 1437 N PRO A 98 21.562 13.052 -7.751 1.00 0.00 N ATOM 1438 CA PRO A 98 21.083 12.887 -9.115 1.00 0.00 C ATOM 1439 C PRO A 98 20.882 14.223 -9.831 1.00 0.00 C ATOM 1440 O PRO A 98 20.526 15.220 -9.202 1.00 0.00 O ATOM 1441 CB PRO A 98 19.763 12.121 -8.991 1.00 0.00 C ATOM 1442 CG PRO A 98 19.875 11.418 -7.641 1.00 0.00 C ATOM 1443 CD PRO A 98 20.642 12.441 -6.808 1.00 0.00 C ATOM 0 HA PRO A 98 21.814 12.351 -9.720 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.906 12.794 -9.022 1.00 0.00 H new ATOM 0 HB3 PRO A 98 19.637 11.407 -9.805 1.00 0.00 H new ATOM 0 HG2 PRO A 98 18.897 11.197 -7.215 1.00 0.00 H new ATOM 0 HG3 PRO A 98 20.410 10.472 -7.718 1.00 0.00 H new ATOM 0 HD2 PRO A 98 19.972 13.180 -6.370 1.00 0.00 H new ATOM 0 HD3 PRO A 98 21.174 11.965 -5.984 1.00 0.00 H new ATOM 1451 N VAL A 99 21.107 14.243 -11.147 1.00 0.00 N ATOM 1452 CA VAL A 99 20.981 15.442 -11.970 1.00 0.00 C ATOM 1453 C VAL A 99 20.340 15.103 -13.312 1.00 0.00 C ATOM 1454 O VAL A 99 20.475 13.984 -13.811 1.00 0.00 O ATOM 1455 CB VAL A 99 22.360 16.086 -12.184 1.00 0.00 C ATOM 1456 CG1 VAL A 99 22.287 17.293 -13.122 1.00 0.00 C ATOM 1457 CG2 VAL A 99 22.936 16.588 -10.864 1.00 0.00 C ATOM 0 H VAL A 99 21.385 13.416 -11.675 1.00 0.00 H new ATOM 0 HA VAL A 99 20.339 16.154 -11.451 1.00 0.00 H new ATOM 0 HB VAL A 99 22.990 15.310 -12.619 1.00 0.00 H new ATOM 0 HG11 VAL A 99 23.283 17.718 -13.246 1.00 0.00 H new ATOM 0 HG12 VAL A 99 21.904 16.977 -14.092 1.00 0.00 H new ATOM 0 HG13 VAL A 99 21.622 18.045 -12.697 1.00 0.00 H new ATOM 0 HG21 VAL A 99 23.912 17.040 -11.041 1.00 0.00 H new ATOM 0 HG22 VAL A 99 22.265 17.331 -10.434 1.00 0.00 H new ATOM 0 HG23 VAL A 99 23.043 15.752 -10.172 1.00 0.00 H new ATOM 1467 N LEU A 100 19.642 16.080 -13.892 1.00 0.00 N ATOM 1468 CA LEU A 100 19.017 15.967 -15.199 1.00 0.00 C ATOM 1469 C LEU A 100 19.071 17.332 -15.887 1.00 0.00 C ATOM 1470 O LEU A 100 19.150 18.361 -15.216 1.00 0.00 O ATOM 1471 CB LEU A 100 17.574 15.480 -15.003 1.00 0.00 C ATOM 1472 CG LEU A 100 16.838 15.177 -16.311 1.00 0.00 C ATOM 1473 CD1 LEU A 100 17.534 14.066 -17.100 1.00 0.00 C ATOM 1474 CD2 LEU A 100 15.418 14.724 -15.980 1.00 0.00 C ATOM 0 H LEU A 100 19.496 16.989 -13.452 1.00 0.00 H new ATOM 0 HA LEU A 100 19.538 15.250 -15.833 1.00 0.00 H new ATOM 0 HB2 LEU A 100 17.585 14.581 -14.387 1.00 0.00 H new ATOM 0 HB3 LEU A 100 17.017 16.237 -14.451 1.00 0.00 H new ATOM 0 HG LEU A 100 16.832 16.081 -16.920 1.00 0.00 H new ATOM 0 HD11 LEU A 100 16.985 13.876 -18.023 1.00 0.00 H new ATOM 0 HD12 LEU A 100 18.552 14.373 -17.340 1.00 0.00 H new ATOM 0 HD13 LEU A 100 17.561 13.156 -16.500 1.00 0.00 H new ATOM 0 HD21 LEU A 100 14.882 14.505 -16.903 1.00 0.00 H new ATOM 0 HD22 LEU A 100 15.457 13.828 -15.361 1.00 0.00 H new ATOM 0 HD23 LEU A 100 14.900 15.516 -15.439 1.00 0.00 H new ATOM 1486 N GLN A 101 19.031 17.351 -17.222 1.00 0.00 N ATOM 1487 CA GLN A 101 19.067 18.596 -17.979 1.00 0.00 C ATOM 1488 C GLN A 101 17.663 19.185 -18.127 1.00 0.00 C ATOM 1489 O GLN A 101 16.676 18.474 -17.940 1.00 0.00 O ATOM 1490 CB GLN A 101 19.737 18.354 -19.335 1.00 0.00 C ATOM 1491 CG GLN A 101 18.893 17.416 -20.205 1.00 0.00 C ATOM 1492 CD GLN A 101 19.501 17.206 -21.586 1.00 0.00 C ATOM 1493 OE1 GLN A 101 20.643 17.578 -21.847 1.00 0.00 O ATOM 1494 NE2 GLN A 101 18.736 16.603 -22.490 1.00 0.00 N ATOM 0 H GLN A 101 18.973 16.512 -17.799 1.00 0.00 H new ATOM 0 HA GLN A 101 19.660 19.332 -17.436 1.00 0.00 H new ATOM 0 HB2 GLN A 101 19.878 19.304 -19.850 1.00 0.00 H new ATOM 0 HB3 GLN A 101 20.727 17.923 -19.184 1.00 0.00 H new ATOM 0 HG2 GLN A 101 18.792 16.453 -19.705 1.00 0.00 H new ATOM 0 HG3 GLN A 101 17.889 17.827 -20.311 1.00 0.00 H new ATOM 0 HE21 GLN A 101 17.792 16.306 -22.243 1.00 0.00 H new ATOM 0 HE22 GLN A 101 19.093 16.437 -23.431 1.00 0.00 H new ATOM 1503 N LYS A 102 17.560 20.474 -18.461 1.00 0.00 N ATOM 1504 CA LYS A 102 16.261 21.126 -18.615 1.00 0.00 C ATOM 1505 C LYS A 102 15.511 20.675 -19.872 1.00 0.00 C ATOM 1506 O LYS A 102 14.303 20.467 -19.785 1.00 0.00 O ATOM 1507 CB LYS A 102 16.432 22.649 -18.597 1.00 0.00 C ATOM 1508 CG LYS A 102 16.637 23.141 -17.163 1.00 0.00 C ATOM 1509 CD LYS A 102 16.770 24.665 -17.148 1.00 0.00 C ATOM 1510 CE LYS A 102 16.863 25.188 -15.715 1.00 0.00 C ATOM 1511 NZ LYS A 102 15.630 24.896 -14.963 1.00 0.00 N ATOM 0 H LYS A 102 18.360 21.084 -18.629 1.00 0.00 H new ATOM 0 HA LYS A 102 15.646 20.821 -17.768 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.285 22.934 -19.212 1.00 0.00 H new ATOM 0 HB3 LYS A 102 15.553 23.126 -19.031 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.796 22.835 -16.541 1.00 0.00 H new ATOM 0 HG3 LYS A 102 17.531 22.685 -16.737 1.00 0.00 H new ATOM 0 HD2 LYS A 102 17.657 24.963 -17.707 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.912 25.114 -17.649 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.716 24.732 -15.213 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.039 26.264 -15.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 15.706 25.291 -14.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 14.817 25.324 -15.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 15.495 23.866 -14.903 1.00 0.00 H new ATOM 1525 N PRO A 103 16.166 20.510 -21.033 1.00 0.00 N ATOM 1526 CA PRO A 103 15.522 19.975 -22.222 1.00 0.00 C ATOM 1527 C PRO A 103 15.069 18.534 -21.994 1.00 0.00 C ATOM 1528 O PRO A 103 15.874 17.678 -21.630 1.00 0.00 O ATOM 1529 CB PRO A 103 16.568 20.053 -23.338 1.00 0.00 C ATOM 1530 CG PRO A 103 17.572 21.084 -22.823 1.00 0.00 C ATOM 1531 CD PRO A 103 17.542 20.853 -21.318 1.00 0.00 C ATOM 0 HA PRO A 103 14.627 20.541 -22.479 1.00 0.00 H new ATOM 0 HB2 PRO A 103 17.041 19.086 -23.512 1.00 0.00 H new ATOM 0 HB3 PRO A 103 16.123 20.365 -24.283 1.00 0.00 H new ATOM 0 HG2 PRO A 103 18.567 20.923 -23.238 1.00 0.00 H new ATOM 0 HG3 PRO A 103 17.278 22.101 -23.083 1.00 0.00 H new ATOM 0 HD2 PRO A 103 18.220 20.051 -21.026 1.00 0.00 H new ATOM 0 HD3 PRO A 103 17.850 21.745 -20.773 1.00 0.00 H new ATOM 1539 N PHE A 104 13.780 18.263 -22.208 1.00 0.00 N ATOM 1540 CA PHE A 104 13.231 16.922 -22.045 1.00 0.00 C ATOM 1541 C PHE A 104 12.921 16.308 -23.408 1.00 0.00 C ATOM 1542 O PHE A 104 12.482 16.997 -24.328 1.00 0.00 O ATOM 1543 CB PHE A 104 11.979 16.949 -21.159 1.00 0.00 C ATOM 1544 CG PHE A 104 12.221 16.848 -19.666 1.00 0.00 C ATOM 1545 CD1 PHE A 104 13.337 17.449 -19.070 1.00 0.00 C ATOM 1546 CD2 PHE A 104 11.313 16.131 -18.873 1.00 0.00 C ATOM 1547 CE1 PHE A 104 13.548 17.328 -17.688 1.00 0.00 C ATOM 1548 CE2 PHE A 104 11.530 16.002 -17.495 1.00 0.00 C ATOM 1549 CZ PHE A 104 12.648 16.599 -16.901 1.00 0.00 C ATOM 0 H PHE A 104 13.095 18.962 -22.496 1.00 0.00 H new ATOM 0 HA PHE A 104 13.977 16.301 -21.549 1.00 0.00 H new ATOM 0 HB2 PHE A 104 11.437 17.874 -21.358 1.00 0.00 H new ATOM 0 HB3 PHE A 104 11.328 16.127 -21.458 1.00 0.00 H new ATOM 0 HD1 PHE A 104 14.036 18.007 -19.675 1.00 0.00 H new ATOM 0 HD2 PHE A 104 10.444 15.677 -19.326 1.00 0.00 H new ATOM 0 HE1 PHE A 104 14.406 17.798 -17.231 1.00 0.00 H new ATOM 0 HE2 PHE A 104 10.833 15.441 -16.890 1.00 0.00 H new ATOM 0 HZ PHE A 104 12.816 16.498 -15.839 1.00 0.00 H new ATOM 1559 N THR A 105 13.156 15.001 -23.516 1.00 0.00 N ATOM 1560 CA THR A 105 12.876 14.212 -24.707 1.00 0.00 C ATOM 1561 C THR A 105 12.693 12.759 -24.277 1.00 0.00 C ATOM 1562 O THR A 105 13.078 12.393 -23.169 1.00 0.00 O ATOM 1563 CB THR A 105 14.010 14.367 -25.726 1.00 0.00 C ATOM 1564 OG1 THR A 105 13.689 13.633 -26.887 1.00 0.00 O ATOM 1565 CG2 THR A 105 15.348 13.864 -25.183 1.00 0.00 C ATOM 0 H THR A 105 13.557 14.451 -22.756 1.00 0.00 H new ATOM 0 HA THR A 105 11.965 14.558 -25.195 1.00 0.00 H new ATOM 0 HB THR A 105 14.113 15.429 -25.946 1.00 0.00 H new ATOM 0 HG1 THR A 105 14.410 13.729 -27.544 1.00 0.00 H new ATOM 0 HG21 THR A 105 16.120 13.995 -25.941 1.00 0.00 H new ATOM 0 HG22 THR A 105 15.615 14.431 -24.291 1.00 0.00 H new ATOM 0 HG23 THR A 105 15.264 12.807 -24.929 1.00 0.00 H new ATOM 1573 N MET A 106 12.109 11.924 -25.137 1.00 0.00 N ATOM 1574 CA MET A 106 11.772 10.555 -24.771 1.00 0.00 C ATOM 1575 C MET A 106 13.010 9.740 -24.386 1.00 0.00 C ATOM 1576 O MET A 106 12.889 8.757 -23.658 1.00 0.00 O ATOM 1577 CB MET A 106 11.020 9.887 -25.920 1.00 0.00 C ATOM 1578 CG MET A 106 9.687 10.599 -26.140 1.00 0.00 C ATOM 1579 SD MET A 106 8.667 9.882 -27.453 1.00 0.00 S ATOM 1580 CE MET A 106 7.237 10.983 -27.303 1.00 0.00 C ATOM 0 H MET A 106 11.860 12.176 -26.094 1.00 0.00 H new ATOM 0 HA MET A 106 11.131 10.590 -23.890 1.00 0.00 H new ATOM 0 HB2 MET A 106 11.618 9.924 -26.830 1.00 0.00 H new ATOM 0 HB3 MET A 106 10.849 8.835 -25.693 1.00 0.00 H new ATOM 0 HG2 MET A 106 9.122 10.584 -25.208 1.00 0.00 H new ATOM 0 HG3 MET A 106 9.882 11.645 -26.378 1.00 0.00 H new ATOM 0 HE1 MET A 106 6.483 10.702 -28.038 1.00 0.00 H new ATOM 0 HE2 MET A 106 6.816 10.898 -26.301 1.00 0.00 H new ATOM 0 HE3 MET A 106 7.550 12.012 -27.479 1.00 0.00 H new ATOM 1590 N ASP A 107 14.199 10.129 -24.858 1.00 0.00 N ATOM 1591 CA ASP A 107 15.425 9.435 -24.489 1.00 0.00 C ATOM 1592 C ASP A 107 15.955 9.939 -23.149 1.00 0.00 C ATOM 1593 O ASP A 107 16.446 9.152 -22.342 1.00 0.00 O ATOM 1594 CB ASP A 107 16.466 9.630 -25.591 1.00 0.00 C ATOM 1595 CG ASP A 107 17.778 8.938 -25.237 1.00 0.00 C ATOM 1596 OD1 ASP A 107 18.817 9.633 -25.256 1.00 0.00 O ATOM 1597 OD2 ASP A 107 17.734 7.722 -24.948 1.00 0.00 O ATOM 0 H ASP A 107 14.332 10.917 -25.492 1.00 0.00 H new ATOM 0 HA ASP A 107 15.213 8.372 -24.379 1.00 0.00 H new ATOM 0 HB2 ASP A 107 16.084 9.232 -26.531 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.643 10.695 -25.744 1.00 0.00 H new ATOM 1602 N GLY A 108 15.860 11.248 -22.894 1.00 0.00 N ATOM 1603 CA GLY A 108 16.365 11.826 -21.656 1.00 0.00 C ATOM 1604 C GLY A 108 15.448 11.499 -20.482 1.00 0.00 C ATOM 1605 O GLY A 108 15.896 11.444 -19.338 1.00 0.00 O ATOM 0 H GLY A 108 15.437 11.923 -23.532 1.00 0.00 H new ATOM 0 HA2 GLY A 108 17.367 11.446 -21.456 1.00 0.00 H new ATOM 0 HA3 GLY A 108 16.450 12.907 -21.764 1.00 0.00 H new ATOM 1609 N VAL A 109 14.162 11.276 -20.764 1.00 0.00 N ATOM 1610 CA VAL A 109 13.186 10.910 -19.749 1.00 0.00 C ATOM 1611 C VAL A 109 13.276 9.411 -19.456 1.00 0.00 C ATOM 1612 O VAL A 109 12.857 8.974 -18.388 1.00 0.00 O ATOM 1613 CB VAL A 109 11.792 11.340 -20.221 1.00 0.00 C ATOM 1614 CG1 VAL A 109 10.695 10.877 -19.259 1.00 0.00 C ATOM 1615 CG2 VAL A 109 11.727 12.869 -20.284 1.00 0.00 C ATOM 0 H VAL A 109 13.773 11.346 -21.705 1.00 0.00 H new ATOM 0 HA VAL A 109 13.393 11.426 -18.811 1.00 0.00 H new ATOM 0 HB VAL A 109 11.628 10.886 -21.199 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.724 11.203 -19.631 1.00 0.00 H new ATOM 0 HG12 VAL A 109 10.710 9.790 -19.186 1.00 0.00 H new ATOM 0 HG13 VAL A 109 10.869 11.309 -18.273 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.737 13.178 -20.619 1.00 0.00 H new ATOM 0 HG22 VAL A 109 11.920 13.282 -19.294 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.478 13.237 -20.983 1.00 0.00 H new ATOM 1625 N ALA A 110 13.823 8.615 -20.382 1.00 0.00 N ATOM 1626 CA ALA A 110 13.970 7.183 -20.168 1.00 0.00 C ATOM 1627 C ALA A 110 15.105 6.897 -19.182 1.00 0.00 C ATOM 1628 O ALA A 110 15.047 5.911 -18.449 1.00 0.00 O ATOM 1629 CB ALA A 110 14.224 6.493 -21.507 1.00 0.00 C ATOM 0 H ALA A 110 14.169 8.944 -21.283 1.00 0.00 H new ATOM 0 HA ALA A 110 13.050 6.789 -19.736 1.00 0.00 H new ATOM 0 HB1 ALA A 110 14.334 5.420 -21.348 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.383 6.676 -22.176 1.00 0.00 H new ATOM 0 HB3 ALA A 110 15.136 6.889 -21.953 1.00 0.00 H new ATOM 1635 N LYS A 111 16.135 7.751 -19.151 1.00 0.00 N ATOM 1636 CA LYS A 111 17.224 7.604 -18.193 1.00 0.00 C ATOM 1637 C LYS A 111 16.797 8.168 -16.840 1.00 0.00 C ATOM 1638 O LYS A 111 17.294 7.730 -15.806 1.00 0.00 O ATOM 1639 CB LYS A 111 18.491 8.292 -18.709 1.00 0.00 C ATOM 1640 CG LYS A 111 19.302 7.398 -19.653 1.00 0.00 C ATOM 1641 CD LYS A 111 18.550 7.058 -20.938 1.00 0.00 C ATOM 1642 CE LYS A 111 19.451 6.238 -21.862 1.00 0.00 C ATOM 1643 NZ LYS A 111 18.746 5.874 -23.104 1.00 0.00 N ATOM 0 H LYS A 111 16.232 8.548 -19.780 1.00 0.00 H new ATOM 0 HA LYS A 111 17.453 6.546 -18.069 1.00 0.00 H new ATOM 0 HB2 LYS A 111 18.216 9.209 -19.230 1.00 0.00 H new ATOM 0 HB3 LYS A 111 19.114 8.581 -17.863 1.00 0.00 H new ATOM 0 HG2 LYS A 111 20.237 7.898 -19.906 1.00 0.00 H new ATOM 0 HG3 LYS A 111 19.564 6.475 -19.136 1.00 0.00 H new ATOM 0 HD2 LYS A 111 17.646 6.496 -20.704 1.00 0.00 H new ATOM 0 HD3 LYS A 111 18.235 7.973 -21.440 1.00 0.00 H new ATOM 0 HE2 LYS A 111 20.347 6.810 -22.103 1.00 0.00 H new ATOM 0 HE3 LYS A 111 19.778 5.334 -21.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 19.374 5.304 -23.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 17.895 5.323 -22.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 18.470 6.738 -23.613 1.00 0.00 H new ATOM 1657 N ALA A 112 15.878 9.139 -16.838 1.00 0.00 N ATOM 1658 CA ALA A 112 15.341 9.682 -15.601 1.00 0.00 C ATOM 1659 C ALA A 112 14.333 8.708 -14.998 1.00 0.00 C ATOM 1660 O ALA A 112 14.128 8.693 -13.785 1.00 0.00 O ATOM 1661 CB ALA A 112 14.694 11.036 -15.897 1.00 0.00 C ATOM 0 H ALA A 112 15.495 9.561 -17.684 1.00 0.00 H new ATOM 0 HA ALA A 112 16.141 9.824 -14.874 1.00 0.00 H new ATOM 0 HB1 ALA A 112 14.287 11.454 -14.976 1.00 0.00 H new ATOM 0 HB2 ALA A 112 15.443 11.716 -16.304 1.00 0.00 H new ATOM 0 HB3 ALA A 112 13.891 10.905 -16.622 1.00 0.00 H new ATOM 1667 N LEU A 113 13.706 7.886 -15.849 1.00 0.00 N ATOM 1668 CA LEU A 113 12.768 6.862 -15.414 1.00 0.00 C ATOM 1669 C LEU A 113 13.526 5.716 -14.744 1.00 0.00 C ATOM 1670 O LEU A 113 13.011 5.091 -13.819 1.00 0.00 O ATOM 1671 CB LEU A 113 11.993 6.371 -16.642 1.00 0.00 C ATOM 1672 CG LEU A 113 10.914 5.340 -16.302 1.00 0.00 C ATOM 1673 CD1 LEU A 113 9.819 5.966 -15.442 1.00 0.00 C ATOM 1674 CD2 LEU A 113 10.274 4.831 -17.592 1.00 0.00 C ATOM 0 H LEU A 113 13.840 7.918 -16.860 1.00 0.00 H new ATOM 0 HA LEU A 113 12.067 7.266 -14.684 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.528 7.225 -17.135 1.00 0.00 H new ATOM 0 HB3 LEU A 113 12.693 5.934 -17.354 1.00 0.00 H new ATOM 0 HG LEU A 113 11.384 4.523 -15.754 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.063 5.215 -15.212 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.253 6.339 -14.514 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.358 6.791 -15.984 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.505 4.097 -17.352 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.823 5.666 -18.129 1.00 0.00 H new ATOM 0 HD23 LEU A 113 11.036 4.367 -18.218 1.00 0.00 H new ATOM 1686 N ALA A 114 14.749 5.440 -15.203 1.00 0.00 N ATOM 1687 CA ALA A 114 15.586 4.403 -14.627 1.00 0.00 C ATOM 1688 C ALA A 114 16.348 4.901 -13.395 1.00 0.00 C ATOM 1689 O ALA A 114 16.832 4.089 -12.609 1.00 0.00 O ATOM 1690 CB ALA A 114 16.544 3.895 -15.703 1.00 0.00 C ATOM 0 H ALA A 114 15.180 5.933 -15.985 1.00 0.00 H new ATOM 0 HA ALA A 114 14.952 3.585 -14.284 1.00 0.00 H new ATOM 0 HB1 ALA A 114 17.180 3.115 -15.285 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.972 3.489 -16.537 1.00 0.00 H new ATOM 0 HB3 ALA A 114 17.165 4.719 -16.056 1.00 0.00 H new ATOM 1696 N ALA A 115 16.464 6.224 -13.219 1.00 0.00 N ATOM 1697 CA ALA A 115 17.215 6.790 -12.109 1.00 0.00 C ATOM 1698 C ALA A 115 16.376 6.969 -10.837 1.00 0.00 C ATOM 1699 O ALA A 115 16.829 6.613 -9.751 1.00 0.00 O ATOM 1700 CB ALA A 115 17.818 8.122 -12.552 1.00 0.00 C ATOM 0 H ALA A 115 16.043 6.918 -13.837 1.00 0.00 H new ATOM 0 HA ALA A 115 18.002 6.084 -11.845 1.00 0.00 H new ATOM 0 HB1 ALA A 115 18.384 8.557 -11.728 1.00 0.00 H new ATOM 0 HB2 ALA A 115 18.482 7.957 -13.401 1.00 0.00 H new ATOM 0 HB3 ALA A 115 17.019 8.804 -12.843 1.00 0.00 H new ATOM 1706 N LEU A 116 15.161 7.520 -10.960 1.00 0.00 N ATOM 1707 CA LEU A 116 14.336 7.828 -9.796 1.00 0.00 C ATOM 1708 C LEU A 116 13.280 6.748 -9.546 1.00 0.00 C ATOM 1709 O LEU A 116 13.251 6.147 -8.474 1.00 0.00 O ATOM 1710 CB LEU A 116 13.742 9.230 -9.984 1.00 0.00 C ATOM 1711 CG LEU A 116 13.277 9.897 -8.685 1.00 0.00 C ATOM 1712 CD1 LEU A 116 12.714 11.279 -9.018 1.00 0.00 C ATOM 1713 CD2 LEU A 116 12.197 9.109 -7.951 1.00 0.00 C ATOM 0 H LEU A 116 14.733 7.759 -11.854 1.00 0.00 H new ATOM 0 HA LEU A 116 14.947 7.831 -8.893 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.488 9.867 -10.459 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.896 9.165 -10.668 1.00 0.00 H new ATOM 0 HG LEU A 116 14.146 9.951 -8.029 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.379 11.766 -8.102 1.00 0.00 H new ATOM 0 HD12 LEU A 116 13.489 11.884 -9.488 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.872 11.174 -9.702 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.915 9.639 -7.041 1.00 0.00 H new ATOM 0 HD22 LEU A 116 11.324 9.003 -8.594 1.00 0.00 H new ATOM 0 HD23 LEU A 116 12.579 8.122 -7.692 1.00 0.00 H new ATOM 1725 N LEU A 117 12.415 6.498 -10.535 1.00 0.00 N ATOM 1726 CA LEU A 117 11.305 5.561 -10.428 1.00 0.00 C ATOM 1727 C LEU A 117 11.768 4.109 -10.266 1.00 0.00 C ATOM 1728 O LEU A 117 10.931 3.224 -10.086 1.00 0.00 O ATOM 1729 CB LEU A 117 10.412 5.668 -11.673 1.00 0.00 C ATOM 1730 CG LEU A 117 9.621 6.974 -11.834 1.00 0.00 C ATOM 1731 CD1 LEU A 117 8.766 7.246 -10.603 1.00 0.00 C ATOM 1732 CD2 LEU A 117 10.503 8.197 -12.074 1.00 0.00 C ATOM 0 H LEU A 117 12.473 6.952 -11.446 1.00 0.00 H new ATOM 0 HA LEU A 117 10.748 5.831 -9.531 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.038 5.537 -12.555 1.00 0.00 H new ATOM 0 HB3 LEU A 117 9.704 4.839 -11.658 1.00 0.00 H new ATOM 0 HG LEU A 117 9.000 6.823 -12.717 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.215 8.176 -10.741 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.063 6.426 -10.460 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.408 7.331 -9.726 1.00 0.00 H new ATOM 0 HD21 LEU A 117 9.876 9.083 -12.178 1.00 0.00 H new ATOM 0 HD22 LEU A 117 11.180 8.329 -11.230 1.00 0.00 H new ATOM 0 HD23 LEU A 117 11.083 8.054 -12.985 1.00 0.00 H new ATOM 1744 N VAL A 118 13.079 3.848 -10.326 1.00 0.00 N ATOM 1745 CA VAL A 118 13.640 2.507 -10.184 1.00 0.00 C ATOM 1746 C VAL A 118 14.833 2.532 -9.235 1.00 0.00 C ATOM 1747 O VAL A 118 15.797 3.276 -9.522 1.00 0.00 O ATOM 1748 CB VAL A 118 14.035 1.953 -11.556 1.00 0.00 C ATOM 1749 CG1 VAL A 118 14.623 0.551 -11.404 1.00 0.00 C ATOM 1750 CG2 VAL A 118 12.817 1.860 -12.477 1.00 0.00 C ATOM 0 H VAL A 118 13.783 4.571 -10.476 1.00 0.00 H new ATOM 0 HA VAL A 118 12.884 1.847 -9.757 1.00 0.00 H new ATOM 0 HB VAL A 118 14.771 2.631 -11.988 1.00 0.00 H new ATOM 0 HG11 VAL A 118 14.901 0.165 -12.385 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.506 0.594 -10.767 1.00 0.00 H new ATOM 0 HG13 VAL A 118 13.881 -0.107 -10.952 1.00 0.00 H new ATOM 0 HG21 VAL A 118 13.123 1.464 -13.445 1.00 0.00 H new ATOM 0 HG22 VAL A 118 12.074 1.198 -12.032 1.00 0.00 H new ATOM 0 HG23 VAL A 118 12.385 2.852 -12.611 1.00 0.00 H new TER 1760 VAL A 118