USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 850 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 102 GLN : amide:sc= 0.199 K(o=1.1,f=-0.059) USER MOD Set 1.2: A 104 GLN : amide:sc= 0.881 K(o=1.1,f=-1.9) USER MOD Set 2.1: A 90 TYR OH : rot -77:sc= 0.00993 USER MOD Set 2.2: A 94 GLN : amide:sc= 1.67 K(o=1.7,f=-7.3!) USER MOD Set 3.1: A 16 LYS NZ :NH3+ 138:sc= 0.906 (180deg=-0.291) USER MOD Set 3.2: A 82 ASN : amide:sc= -0.765! K(o=0.14!,f=-6.4) USER MOD Set 4.1: A 56 SER OG : rot -63:sc= 0.425 USER MOD Set 4.2: A 62 MET CE :methyl -161:sc=-0.00259 (180deg=0) USER MOD Set 5.1: A 33 SER OG : rot 180:sc= -0.0891 USER MOD Set 5.2: A 36 SER OG : rot -75:sc= -1.08! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.268 (180deg=-0.283) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -90:sc= -1.52 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00367 USER MOD Single : A 9 CYS SG : rot 37:sc= 1.06 USER MOD Single : A 10 GLN : amide:sc= -0.142 K(o=-0.14,f=-0.98) USER MOD Single : A 22 ASN : amide:sc= -1.76 X(o=-1.8,f=-1.8) USER MOD Single : A 24 LYS NZ :NH3+ 161:sc= -0.0837 (180deg=-0.409) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -115:sc= 0.413 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 172:sc= -1.4 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -150:sc= 0 USER MOD Single : A 50 SER OG : rot 57:sc= 1.06 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.654 K(o=-0.65,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.698 X(o=-0.7,f=-0.43) USER MOD Single : A 75 GLN : amide:sc= -0.346 K(o=-0.35,f=-2.2) USER MOD Single : A 76 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.028) USER MOD Single : A 78 ASN : amide:sc= -0.0613 X(o=-0.061,f=-0.37) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.605 3.108 0.068 1.00 0.00 N ATOM 2 CA MET A 1 2.990 2.203 -0.934 1.00 0.00 C ATOM 3 C MET A 1 1.902 2.924 -1.725 1.00 0.00 C ATOM 4 O MET A 1 1.573 2.529 -2.844 1.00 0.00 O ATOM 5 CB MET A 1 2.402 0.962 -0.251 1.00 0.00 C ATOM 6 CG MET A 1 1.281 1.266 0.730 1.00 0.00 C ATOM 7 SD MET A 1 0.660 -0.216 1.545 1.00 0.00 S ATOM 8 CE MET A 1 -0.615 0.489 2.587 1.00 0.00 C ATOM 0 H1 MET A 1 4.365 2.605 0.570 1.00 0.00 H new ATOM 0 H2 MET A 1 4.000 3.941 -0.413 1.00 0.00 H new ATOM 0 H3 MET A 1 2.882 3.413 0.751 1.00 0.00 H new ATOM 0 HA MET A 1 3.772 1.889 -1.625 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.026 0.283 -1.016 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.200 0.438 0.276 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.641 1.967 1.483 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.463 1.757 0.202 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.097 -0.304 3.159 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.168 1.210 3.271 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.357 0.990 1.965 1.00 0.00 H new ATOM 18 N SER A 2 1.345 3.978 -1.143 1.00 0.00 N ATOM 19 CA SER A 2 0.337 4.774 -1.822 1.00 0.00 C ATOM 20 C SER A 2 0.999 5.958 -2.525 1.00 0.00 C ATOM 21 O SER A 2 2.217 6.125 -2.442 1.00 0.00 O ATOM 22 CB SER A 2 -0.714 5.241 -0.816 1.00 0.00 C ATOM 23 OG SER A 2 -1.241 4.133 -0.098 1.00 0.00 O ATOM 0 H SER A 2 1.575 4.300 -0.203 1.00 0.00 H new ATOM 0 HA SER A 2 -0.162 4.169 -2.579 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.270 5.954 -0.122 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.518 5.761 -1.336 1.00 0.00 H new ATOM 0 HG SER A 2 -1.911 4.448 0.544 1.00 0.00 H new ATOM 29 N ILE A 3 0.210 6.778 -3.205 1.00 0.00 N ATOM 30 CA ILE A 3 0.761 7.867 -4.002 1.00 0.00 C ATOM 31 C ILE A 3 1.376 8.941 -3.114 1.00 0.00 C ATOM 32 O ILE A 3 0.800 9.341 -2.102 1.00 0.00 O ATOM 33 CB ILE A 3 -0.305 8.490 -4.929 1.00 0.00 C ATOM 34 CG1 ILE A 3 -0.858 7.421 -5.876 1.00 0.00 C ATOM 35 CG2 ILE A 3 0.276 9.656 -5.722 1.00 0.00 C ATOM 36 CD1 ILE A 3 0.202 6.755 -6.724 1.00 0.00 C ATOM 0 H ILE A 3 -0.808 6.712 -3.222 1.00 0.00 H new ATOM 0 HA ILE A 3 1.546 7.440 -4.627 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.118 8.876 -4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.373 6.660 -5.290 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.601 7.877 -6.530 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.495 10.077 -6.367 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.632 10.423 -5.034 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.107 9.303 -6.333 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.263 6.010 -7.369 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.702 7.505 -7.337 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.933 6.269 -6.078 1.00 0.00 H new ATOM 48 N THR A 4 2.560 9.384 -3.497 1.00 0.00 N ATOM 49 CA THR A 4 3.313 10.343 -2.719 1.00 0.00 C ATOM 50 C THR A 4 3.036 11.773 -3.174 1.00 0.00 C ATOM 51 O THR A 4 2.187 12.016 -4.036 1.00 0.00 O ATOM 52 CB THR A 4 4.818 10.049 -2.839 1.00 0.00 C ATOM 53 OG1 THR A 4 5.189 9.999 -4.223 1.00 0.00 O ATOM 54 CG2 THR A 4 5.166 8.727 -2.170 1.00 0.00 C ATOM 0 H THR A 4 3.024 9.088 -4.356 1.00 0.00 H new ATOM 0 HA THR A 4 2.999 10.249 -1.680 1.00 0.00 H new ATOM 0 HB THR A 4 5.367 10.846 -2.338 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.097 9.081 -4.553 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.235 8.540 -2.268 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.901 8.773 -1.114 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.612 7.920 -2.649 1.00 0.00 H new ATOM 62 N SER A 5 3.753 12.710 -2.579 1.00 0.00 N ATOM 63 CA SER A 5 3.646 14.114 -2.929 1.00 0.00 C ATOM 64 C SER A 5 4.565 14.437 -4.111 1.00 0.00 C ATOM 65 O SER A 5 5.118 13.526 -4.739 1.00 0.00 O ATOM 66 CB SER A 5 4.007 14.968 -1.711 1.00 0.00 C ATOM 67 OG SER A 5 3.223 14.597 -0.588 1.00 0.00 O ATOM 0 H SER A 5 4.427 12.518 -1.838 1.00 0.00 H new ATOM 0 HA SER A 5 2.622 14.338 -3.228 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.065 14.848 -1.478 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.848 16.022 -1.940 1.00 0.00 H new ATOM 0 HG SER A 5 3.469 15.153 0.181 1.00 0.00 H new ATOM 73 N THR A 6 4.714 15.729 -4.408 1.00 0.00 N ATOM 74 CA THR A 6 5.565 16.215 -5.500 1.00 0.00 C ATOM 75 C THR A 6 6.981 15.617 -5.442 1.00 0.00 C ATOM 76 O THR A 6 7.688 15.572 -6.453 1.00 0.00 O ATOM 77 CB THR A 6 5.649 17.756 -5.474 1.00 0.00 C ATOM 78 OG1 THR A 6 4.331 18.306 -5.363 1.00 0.00 O ATOM 79 CG2 THR A 6 6.314 18.299 -6.732 1.00 0.00 C ATOM 0 H THR A 6 4.245 16.475 -3.895 1.00 0.00 H new ATOM 0 HA THR A 6 5.104 15.890 -6.433 1.00 0.00 H new ATOM 0 HB THR A 6 6.253 18.046 -4.614 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.385 19.284 -5.345 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.357 19.387 -6.680 1.00 0.00 H new ATOM 0 HG22 THR A 6 7.325 17.900 -6.810 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.737 18.000 -7.607 1.00 0.00 H new ATOM 87 N ASP A 7 7.381 15.153 -4.256 1.00 0.00 N ATOM 88 CA ASP A 7 8.673 14.486 -4.062 1.00 0.00 C ATOM 89 C ASP A 7 8.895 13.359 -5.070 1.00 0.00 C ATOM 90 O ASP A 7 10.033 12.976 -5.332 1.00 0.00 O ATOM 91 CB ASP A 7 8.774 13.899 -2.650 1.00 0.00 C ATOM 92 CG ASP A 7 9.100 14.932 -1.595 1.00 0.00 C ATOM 93 OD1 ASP A 7 10.300 15.183 -1.360 1.00 0.00 O ATOM 94 OD2 ASP A 7 8.159 15.477 -0.977 1.00 0.00 O ATOM 0 H ASP A 7 6.822 15.228 -3.406 1.00 0.00 H new ATOM 0 HA ASP A 7 9.439 15.247 -4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.830 13.416 -2.396 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.541 13.125 -2.640 1.00 0.00 H new ATOM 99 N ILE A 8 7.812 12.829 -5.636 1.00 0.00 N ATOM 100 CA ILE A 8 7.915 11.783 -6.648 1.00 0.00 C ATOM 101 C ILE A 8 8.720 12.272 -7.858 1.00 0.00 C ATOM 102 O ILE A 8 9.511 11.525 -8.436 1.00 0.00 O ATOM 103 CB ILE A 8 6.518 11.278 -7.095 1.00 0.00 C ATOM 104 CG1 ILE A 8 6.656 10.107 -8.072 1.00 0.00 C ATOM 105 CG2 ILE A 8 5.696 12.400 -7.721 1.00 0.00 C ATOM 106 CD1 ILE A 8 5.339 9.438 -8.405 1.00 0.00 C ATOM 0 H ILE A 8 6.857 13.107 -5.411 1.00 0.00 H new ATOM 0 HA ILE A 8 8.442 10.944 -6.195 1.00 0.00 H new ATOM 0 HB ILE A 8 5.990 10.932 -6.207 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.115 10.465 -8.993 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.333 9.367 -7.646 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.723 12.013 -8.023 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.558 13.200 -6.993 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.219 12.790 -8.594 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.513 8.618 -9.102 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.888 9.049 -7.492 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.667 10.165 -8.861 1.00 0.00 H new ATOM 118 N CYS A 9 8.537 13.538 -8.211 1.00 0.00 N ATOM 119 CA CYS A 9 9.276 14.147 -9.306 1.00 0.00 C ATOM 120 C CYS A 9 10.712 14.432 -8.882 1.00 0.00 C ATOM 121 O CYS A 9 11.642 14.329 -9.682 1.00 0.00 O ATOM 122 CB CYS A 9 8.590 15.444 -9.747 1.00 0.00 C ATOM 123 SG CYS A 9 9.503 16.381 -10.996 1.00 0.00 S ATOM 0 H CYS A 9 7.878 14.166 -7.750 1.00 0.00 H new ATOM 0 HA CYS A 9 9.291 13.452 -10.146 1.00 0.00 H new ATOM 0 HB2 CYS A 9 7.602 15.203 -10.140 1.00 0.00 H new ATOM 0 HB3 CYS A 9 8.439 16.077 -8.873 1.00 0.00 H new ATOM 0 HG CYS A 9 10.068 15.558 -11.829 1.00 0.00 H new ATOM 129 N GLN A 10 10.882 14.769 -7.611 1.00 0.00 N ATOM 130 CA GLN A 10 12.186 15.150 -7.088 1.00 0.00 C ATOM 131 C GLN A 10 13.098 13.936 -6.960 1.00 0.00 C ATOM 132 O GLN A 10 14.273 13.989 -7.321 1.00 0.00 O ATOM 133 CB GLN A 10 12.036 15.842 -5.729 1.00 0.00 C ATOM 134 CG GLN A 10 11.098 17.040 -5.753 1.00 0.00 C ATOM 135 CD GLN A 10 11.478 18.066 -6.805 1.00 0.00 C ATOM 136 OE1 GLN A 10 12.651 18.221 -7.146 1.00 0.00 O ATOM 137 NE2 GLN A 10 10.489 18.777 -7.323 1.00 0.00 N ATOM 0 H GLN A 10 10.131 14.786 -6.921 1.00 0.00 H new ATOM 0 HA GLN A 10 12.640 15.848 -7.791 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.668 15.118 -5.001 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.018 16.168 -5.387 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.081 16.695 -5.940 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.099 17.515 -4.772 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.530 18.618 -7.014 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.686 19.484 -8.032 1.00 0.00 H new ATOM 146 N ALA A 11 12.551 12.836 -6.456 1.00 0.00 N ATOM 147 CA ALA A 11 13.324 11.612 -6.273 1.00 0.00 C ATOM 148 C ALA A 11 13.804 11.055 -7.611 1.00 0.00 C ATOM 149 O ALA A 11 14.880 10.466 -7.699 1.00 0.00 O ATOM 150 CB ALA A 11 12.501 10.575 -5.526 1.00 0.00 C ATOM 0 H ALA A 11 11.575 12.766 -6.167 1.00 0.00 H new ATOM 0 HA ALA A 11 14.205 11.854 -5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.090 9.667 -5.397 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.221 10.968 -4.549 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.601 10.345 -6.096 1.00 0.00 H new ATOM 156 N ALA A 12 13.011 11.265 -8.656 1.00 0.00 N ATOM 157 CA ALA A 12 13.359 10.799 -9.995 1.00 0.00 C ATOM 158 C ALA A 12 14.540 11.585 -10.570 1.00 0.00 C ATOM 159 O ALA A 12 15.149 11.177 -11.560 1.00 0.00 O ATOM 160 CB ALA A 12 12.155 10.903 -10.917 1.00 0.00 C ATOM 0 H ALA A 12 12.119 11.757 -8.602 1.00 0.00 H new ATOM 0 HA ALA A 12 13.659 9.754 -9.920 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.428 10.552 -11.912 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.343 10.290 -10.526 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.830 11.942 -10.975 1.00 0.00 H new ATOM 166 N ASP A 13 14.854 12.713 -9.947 1.00 0.00 N ATOM 167 CA ASP A 13 15.986 13.536 -10.366 1.00 0.00 C ATOM 168 C ASP A 13 17.263 13.092 -9.656 1.00 0.00 C ATOM 169 O ASP A 13 18.371 13.300 -10.151 1.00 0.00 O ATOM 170 CB ASP A 13 15.699 15.014 -10.071 1.00 0.00 C ATOM 171 CG ASP A 13 16.893 15.916 -10.326 1.00 0.00 C ATOM 172 OD1 ASP A 13 17.116 16.306 -11.494 1.00 0.00 O ATOM 173 OD2 ASP A 13 17.606 16.252 -9.355 1.00 0.00 O ATOM 0 H ASP A 13 14.340 13.082 -9.147 1.00 0.00 H new ATOM 0 HA ASP A 13 16.129 13.412 -11.439 1.00 0.00 H new ATOM 0 HB2 ASP A 13 14.863 15.345 -10.687 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.389 15.117 -9.031 1.00 0.00 H new ATOM 178 N ALA A 14 17.096 12.440 -8.509 1.00 0.00 N ATOM 179 CA ALA A 14 18.228 12.015 -7.689 1.00 0.00 C ATOM 180 C ALA A 14 18.754 10.652 -8.128 1.00 0.00 C ATOM 181 O ALA A 14 19.657 10.093 -7.505 1.00 0.00 O ATOM 182 CB ALA A 14 17.829 11.980 -6.222 1.00 0.00 C ATOM 0 H ALA A 14 16.184 12.193 -8.124 1.00 0.00 H new ATOM 0 HA ALA A 14 19.031 12.740 -7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.681 11.662 -5.621 1.00 0.00 H new ATOM 0 HB2 ALA A 14 17.514 12.975 -5.907 1.00 0.00 H new ATOM 0 HB3 ALA A 14 17.006 11.278 -6.085 1.00 0.00 H new ATOM 188 N LEU A 15 18.186 10.121 -9.202 1.00 0.00 N ATOM 189 CA LEU A 15 18.611 8.835 -9.734 1.00 0.00 C ATOM 190 C LEU A 15 19.981 8.966 -10.389 1.00 0.00 C ATOM 191 O LEU A 15 20.197 9.849 -11.221 1.00 0.00 O ATOM 192 CB LEU A 15 17.594 8.316 -10.754 1.00 0.00 C ATOM 193 CG LEU A 15 16.144 8.260 -10.266 1.00 0.00 C ATOM 194 CD1 LEU A 15 15.241 7.702 -11.353 1.00 0.00 C ATOM 195 CD2 LEU A 15 16.030 7.426 -9.000 1.00 0.00 C ATOM 0 H LEU A 15 17.428 10.563 -9.723 1.00 0.00 H new ATOM 0 HA LEU A 15 18.676 8.124 -8.910 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.637 8.950 -11.640 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.894 7.315 -11.064 1.00 0.00 H new ATOM 0 HG LEU A 15 15.823 9.275 -10.033 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.213 7.668 -10.991 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.294 8.341 -12.234 1.00 0.00 H new ATOM 0 HD13 LEU A 15 15.566 6.695 -11.615 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.991 7.401 -8.673 1.00 0.00 H new ATOM 0 HD22 LEU A 15 16.371 6.411 -9.201 1.00 0.00 H new ATOM 0 HD23 LEU A 15 16.646 7.867 -8.217 1.00 0.00 H new ATOM 207 N LYS A 16 20.900 8.091 -10.021 1.00 0.00 N ATOM 208 CA LYS A 16 22.256 8.156 -10.542 1.00 0.00 C ATOM 209 C LYS A 16 22.722 6.789 -11.029 1.00 0.00 C ATOM 210 O LYS A 16 22.429 5.760 -10.416 1.00 0.00 O ATOM 211 CB LYS A 16 23.210 8.710 -9.481 1.00 0.00 C ATOM 212 CG LYS A 16 23.175 7.952 -8.168 1.00 0.00 C ATOM 213 CD LYS A 16 24.092 8.584 -7.138 1.00 0.00 C ATOM 214 CE LYS A 16 24.076 7.802 -5.838 1.00 0.00 C ATOM 215 NZ LYS A 16 24.586 6.417 -6.018 1.00 0.00 N ATOM 0 H LYS A 16 20.734 7.328 -9.365 1.00 0.00 H new ATOM 0 HA LYS A 16 22.260 8.833 -11.397 1.00 0.00 H new ATOM 0 HB2 LYS A 16 24.226 8.690 -9.874 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.962 9.755 -9.293 1.00 0.00 H new ATOM 0 HG2 LYS A 16 22.155 7.932 -7.785 1.00 0.00 H new ATOM 0 HG3 LYS A 16 23.473 6.917 -8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 16 25.109 8.625 -7.529 1.00 0.00 H new ATOM 0 HD3 LYS A 16 23.780 9.612 -6.951 1.00 0.00 H new ATOM 0 HE2 LYS A 16 24.684 8.319 -5.096 1.00 0.00 H new ATOM 0 HE3 LYS A 16 23.059 7.767 -5.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 25.205 6.168 -5.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 23.785 5.754 -6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 25.125 6.358 -6.905 1.00 0.00 H new ATOM 229 N GLY A 17 23.446 6.796 -12.135 1.00 0.00 N ATOM 230 CA GLY A 17 23.877 5.569 -12.769 1.00 0.00 C ATOM 231 C GLY A 17 23.709 5.659 -14.270 1.00 0.00 C ATOM 232 O GLY A 17 22.834 6.381 -14.748 1.00 0.00 O ATOM 0 H GLY A 17 23.748 7.645 -12.613 1.00 0.00 H new ATOM 0 HA2 GLY A 17 24.921 5.375 -12.525 1.00 0.00 H new ATOM 0 HA3 GLY A 17 23.298 4.730 -12.382 1.00 0.00 H new ATOM 236 N PHE A 18 24.528 4.946 -15.022 1.00 0.00 N ATOM 237 CA PHE A 18 24.487 5.046 -16.472 1.00 0.00 C ATOM 238 C PHE A 18 24.080 3.723 -17.099 1.00 0.00 C ATOM 239 O PHE A 18 24.769 2.715 -16.963 1.00 0.00 O ATOM 240 CB PHE A 18 25.842 5.506 -17.012 1.00 0.00 C ATOM 241 CG PHE A 18 26.228 6.881 -16.541 1.00 0.00 C ATOM 242 CD1 PHE A 18 25.739 8.007 -17.182 1.00 0.00 C ATOM 243 CD2 PHE A 18 27.071 7.047 -15.453 1.00 0.00 C ATOM 244 CE1 PHE A 18 26.084 9.273 -16.750 1.00 0.00 C ATOM 245 CE2 PHE A 18 27.419 8.310 -15.016 1.00 0.00 C ATOM 246 CZ PHE A 18 26.925 9.425 -15.664 1.00 0.00 C ATOM 0 H PHE A 18 25.225 4.296 -14.658 1.00 0.00 H new ATOM 0 HA PHE A 18 23.736 5.788 -16.741 1.00 0.00 H new ATOM 0 HB2 PHE A 18 26.609 4.795 -16.706 1.00 0.00 H new ATOM 0 HB3 PHE A 18 25.815 5.496 -18.102 1.00 0.00 H new ATOM 0 HD1 PHE A 18 25.080 7.894 -18.030 1.00 0.00 H new ATOM 0 HD2 PHE A 18 27.460 6.179 -14.941 1.00 0.00 H new ATOM 0 HE1 PHE A 18 25.697 10.143 -17.260 1.00 0.00 H new ATOM 0 HE2 PHE A 18 28.077 8.426 -14.168 1.00 0.00 H new ATOM 0 HZ PHE A 18 27.195 10.413 -15.323 1.00 0.00 H new ATOM 256 N VAL A 19 22.953 3.735 -17.787 1.00 0.00 N ATOM 257 CA VAL A 19 22.424 2.538 -18.405 1.00 0.00 C ATOM 258 C VAL A 19 22.571 2.629 -19.926 1.00 0.00 C ATOM 259 O VAL A 19 22.176 3.621 -20.547 1.00 0.00 O ATOM 260 CB VAL A 19 20.950 2.304 -17.979 1.00 0.00 C ATOM 261 CG1 VAL A 19 20.048 3.452 -18.410 1.00 0.00 C ATOM 262 CG2 VAL A 19 20.431 0.978 -18.503 1.00 0.00 C ATOM 0 H VAL A 19 22.384 4.569 -17.931 1.00 0.00 H new ATOM 0 HA VAL A 19 22.996 1.676 -18.063 1.00 0.00 H new ATOM 0 HB VAL A 19 20.932 2.267 -16.890 1.00 0.00 H new ATOM 0 HG11 VAL A 19 19.025 3.250 -18.093 1.00 0.00 H new ATOM 0 HG12 VAL A 19 20.394 4.378 -17.951 1.00 0.00 H new ATOM 0 HG13 VAL A 19 20.079 3.551 -19.495 1.00 0.00 H new ATOM 0 HG21 VAL A 19 19.396 0.842 -18.188 1.00 0.00 H new ATOM 0 HG22 VAL A 19 20.483 0.972 -19.592 1.00 0.00 H new ATOM 0 HG23 VAL A 19 21.040 0.166 -18.106 1.00 0.00 H new ATOM 272 N GLY A 20 23.174 1.608 -20.517 1.00 0.00 N ATOM 273 CA GLY A 20 23.488 1.651 -21.929 1.00 0.00 C ATOM 274 C GLY A 20 23.218 0.337 -22.629 1.00 0.00 C ATOM 275 O GLY A 20 22.958 -0.679 -21.985 1.00 0.00 O ATOM 0 H GLY A 20 23.452 0.749 -20.042 1.00 0.00 H new ATOM 0 HA2 GLY A 20 22.901 2.438 -22.403 1.00 0.00 H new ATOM 0 HA3 GLY A 20 24.538 1.916 -22.055 1.00 0.00 H new ATOM 279 N PHE A 21 23.281 0.355 -23.950 1.00 0.00 N ATOM 280 CA PHE A 21 22.998 -0.832 -24.740 1.00 0.00 C ATOM 281 C PHE A 21 24.279 -1.605 -25.027 1.00 0.00 C ATOM 282 O PHE A 21 25.164 -1.124 -25.737 1.00 0.00 O ATOM 283 CB PHE A 21 22.305 -0.447 -26.051 1.00 0.00 C ATOM 284 CG PHE A 21 21.782 -1.624 -26.827 1.00 0.00 C ATOM 285 CD1 PHE A 21 20.555 -2.183 -26.512 1.00 0.00 C ATOM 286 CD2 PHE A 21 22.514 -2.168 -27.870 1.00 0.00 C ATOM 287 CE1 PHE A 21 20.067 -3.264 -27.220 1.00 0.00 C ATOM 288 CE2 PHE A 21 22.031 -3.249 -28.582 1.00 0.00 C ATOM 289 CZ PHE A 21 20.807 -3.798 -28.257 1.00 0.00 C ATOM 0 H PHE A 21 23.526 1.179 -24.499 1.00 0.00 H new ATOM 0 HA PHE A 21 22.330 -1.474 -24.166 1.00 0.00 H new ATOM 0 HB2 PHE A 21 21.478 0.228 -25.830 1.00 0.00 H new ATOM 0 HB3 PHE A 21 23.008 0.105 -26.675 1.00 0.00 H new ATOM 0 HD1 PHE A 21 19.972 -1.769 -25.703 1.00 0.00 H new ATOM 0 HD2 PHE A 21 23.472 -1.743 -28.129 1.00 0.00 H new ATOM 0 HE1 PHE A 21 19.109 -3.691 -26.963 1.00 0.00 H new ATOM 0 HE2 PHE A 21 22.611 -3.664 -29.393 1.00 0.00 H new ATOM 0 HZ PHE A 21 20.429 -4.643 -28.812 1.00 0.00 H new ATOM 299 N ASN A 22 24.368 -2.798 -24.464 1.00 0.00 N ATOM 300 CA ASN A 22 25.496 -3.686 -24.707 1.00 0.00 C ATOM 301 C ASN A 22 25.155 -4.601 -25.873 1.00 0.00 C ATOM 302 O ASN A 22 24.424 -5.580 -25.710 1.00 0.00 O ATOM 303 CB ASN A 22 25.803 -4.506 -23.445 1.00 0.00 C ATOM 304 CG ASN A 22 26.995 -5.442 -23.590 1.00 0.00 C ATOM 305 OD1 ASN A 22 27.032 -6.510 -22.979 1.00 0.00 O ATOM 306 ND2 ASN A 22 27.982 -5.058 -24.380 1.00 0.00 N ATOM 0 H ASN A 22 23.666 -3.178 -23.829 1.00 0.00 H new ATOM 0 HA ASN A 22 26.383 -3.102 -24.953 1.00 0.00 H new ATOM 0 HB2 ASN A 22 25.989 -3.823 -22.616 1.00 0.00 H new ATOM 0 HB3 ASN A 22 24.923 -5.093 -23.182 1.00 0.00 H new ATOM 0 HD21 ASN A 22 28.803 -5.652 -24.496 1.00 0.00 H new ATOM 0 HD22 ASN A 22 27.923 -4.167 -24.874 1.00 0.00 H new ATOM 313 N ARG A 23 25.671 -4.281 -27.051 1.00 0.00 N ATOM 314 CA ARG A 23 25.257 -4.969 -28.265 1.00 0.00 C ATOM 315 C ARG A 23 25.884 -6.357 -28.341 1.00 0.00 C ATOM 316 O ARG A 23 25.451 -7.196 -29.128 1.00 0.00 O ATOM 317 CB ARG A 23 25.605 -4.143 -29.509 1.00 0.00 C ATOM 318 CG ARG A 23 27.076 -4.166 -29.884 1.00 0.00 C ATOM 319 CD ARG A 23 27.348 -3.329 -31.124 1.00 0.00 C ATOM 320 NE ARG A 23 27.583 -1.923 -30.802 1.00 0.00 N ATOM 321 CZ ARG A 23 27.083 -0.897 -31.490 1.00 0.00 C ATOM 322 NH1 ARG A 23 26.188 -1.097 -32.450 1.00 0.00 N ATOM 323 NH2 ARG A 23 27.468 0.339 -31.206 1.00 0.00 N ATOM 0 H ARG A 23 26.373 -3.554 -27.192 1.00 0.00 H new ATOM 0 HA ARG A 23 24.174 -5.088 -28.233 1.00 0.00 H new ATOM 0 HB2 ARG A 23 25.022 -4.514 -30.352 1.00 0.00 H new ATOM 0 HB3 ARG A 23 25.301 -3.110 -29.341 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.671 -3.789 -29.052 1.00 0.00 H new ATOM 0 HG3 ARG A 23 27.391 -5.194 -30.061 1.00 0.00 H new ATOM 0 HD2 ARG A 23 28.216 -3.730 -31.647 1.00 0.00 H new ATOM 0 HD3 ARG A 23 26.501 -3.407 -31.806 1.00 0.00 H new ATOM 0 HE ARG A 23 28.170 -1.712 -29.995 1.00 0.00 H new ATOM 0 HH11 ARG A 23 25.876 -2.044 -32.667 1.00 0.00 H new ATOM 0 HH12 ARG A 23 25.812 -0.304 -32.970 1.00 0.00 H new ATOM 0 HH21 ARG A 23 28.146 0.504 -30.462 1.00 0.00 H new ATOM 0 HH22 ARG A 23 27.086 1.125 -31.732 1.00 0.00 H new ATOM 337 N LYS A 24 26.900 -6.593 -27.514 1.00 0.00 N ATOM 338 CA LYS A 24 27.521 -7.909 -27.424 1.00 0.00 C ATOM 339 C LYS A 24 26.508 -8.946 -26.942 1.00 0.00 C ATOM 340 O LYS A 24 26.522 -10.094 -27.384 1.00 0.00 O ATOM 341 CB LYS A 24 28.711 -7.889 -26.464 1.00 0.00 C ATOM 342 CG LYS A 24 29.625 -9.094 -26.617 1.00 0.00 C ATOM 343 CD LYS A 24 30.302 -9.455 -25.307 1.00 0.00 C ATOM 344 CE LYS A 24 29.309 -10.058 -24.324 1.00 0.00 C ATOM 345 NZ LYS A 24 28.766 -11.356 -24.809 1.00 0.00 N ATOM 0 H LYS A 24 27.309 -5.890 -26.898 1.00 0.00 H new ATOM 0 HA LYS A 24 27.872 -8.177 -28.420 1.00 0.00 H new ATOM 0 HB2 LYS A 24 29.289 -6.980 -26.631 1.00 0.00 H new ATOM 0 HB3 LYS A 24 28.342 -7.849 -25.439 1.00 0.00 H new ATOM 0 HG2 LYS A 24 29.047 -9.946 -26.975 1.00 0.00 H new ATOM 0 HG3 LYS A 24 30.382 -8.883 -27.372 1.00 0.00 H new ATOM 0 HD2 LYS A 24 31.109 -10.164 -25.494 1.00 0.00 H new ATOM 0 HD3 LYS A 24 30.755 -8.565 -24.871 1.00 0.00 H new ATOM 0 HE2 LYS A 24 29.796 -10.206 -23.360 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.488 -9.359 -24.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 28.362 -11.884 -24.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 28.025 -11.179 -25.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 29.531 -11.913 -25.240 1.00 0.00 H new ATOM 359 N THR A 25 25.642 -8.541 -26.019 1.00 0.00 N ATOM 360 CA THR A 25 24.594 -9.424 -25.529 1.00 0.00 C ATOM 361 C THR A 25 23.263 -9.094 -26.199 1.00 0.00 C ATOM 362 O THR A 25 22.393 -9.956 -26.341 1.00 0.00 O ATOM 363 CB THR A 25 24.446 -9.351 -23.988 1.00 0.00 C ATOM 364 OG1 THR A 25 23.377 -10.197 -23.554 1.00 0.00 O ATOM 365 CG2 THR A 25 24.182 -7.929 -23.516 1.00 0.00 C ATOM 0 H THR A 25 25.646 -7.612 -25.598 1.00 0.00 H new ATOM 0 HA THR A 25 24.884 -10.443 -25.785 1.00 0.00 H new ATOM 0 HB THR A 25 25.387 -9.689 -23.554 1.00 0.00 H new ATOM 0 HG1 THR A 25 23.293 -10.144 -22.579 1.00 0.00 H new ATOM 0 HG21 THR A 25 24.084 -7.918 -22.430 1.00 0.00 H new ATOM 0 HG22 THR A 25 25.012 -7.287 -23.812 1.00 0.00 H new ATOM 0 HG23 THR A 25 23.260 -7.561 -23.967 1.00 0.00 H new ATOM 373 N GLY A 26 23.120 -7.846 -26.627 1.00 0.00 N ATOM 374 CA GLY A 26 21.906 -7.422 -27.290 1.00 0.00 C ATOM 375 C GLY A 26 20.871 -6.928 -26.306 1.00 0.00 C ATOM 376 O GLY A 26 19.675 -6.941 -26.591 1.00 0.00 O ATOM 0 H GLY A 26 23.828 -7.118 -26.525 1.00 0.00 H new ATOM 0 HA2 GLY A 26 22.138 -6.629 -28.001 1.00 0.00 H new ATOM 0 HA3 GLY A 26 21.495 -8.254 -27.862 1.00 0.00 H new ATOM 380 N ARG A 27 21.330 -6.484 -25.143 1.00 0.00 N ATOM 381 CA ARG A 27 20.430 -6.024 -24.099 1.00 0.00 C ATOM 382 C ARG A 27 20.821 -4.636 -23.614 1.00 0.00 C ATOM 383 O ARG A 27 21.946 -4.179 -23.832 1.00 0.00 O ATOM 384 CB ARG A 27 20.425 -6.985 -22.908 1.00 0.00 C ATOM 385 CG ARG A 27 20.046 -8.413 -23.257 1.00 0.00 C ATOM 386 CD ARG A 27 19.404 -9.108 -22.070 1.00 0.00 C ATOM 387 NE ARG A 27 18.103 -8.517 -21.752 1.00 0.00 N ATOM 388 CZ ARG A 27 17.469 -8.650 -20.585 1.00 0.00 C ATOM 389 NH1 ARG A 27 18.039 -9.298 -19.573 1.00 0.00 N ATOM 390 NH2 ARG A 27 16.267 -8.107 -20.432 1.00 0.00 N ATOM 0 H ARG A 27 22.320 -6.434 -24.901 1.00 0.00 H new ATOM 0 HA ARG A 27 19.431 -5.987 -24.532 1.00 0.00 H new ATOM 0 HB2 ARG A 27 21.415 -6.986 -22.453 1.00 0.00 H new ATOM 0 HB3 ARG A 27 19.729 -6.610 -22.157 1.00 0.00 H new ATOM 0 HG2 ARG A 27 19.356 -8.415 -24.101 1.00 0.00 H new ATOM 0 HG3 ARG A 27 20.934 -8.963 -23.569 1.00 0.00 H new ATOM 0 HD2 ARG A 27 19.281 -10.169 -22.289 1.00 0.00 H new ATOM 0 HD3 ARG A 27 20.061 -9.035 -21.203 1.00 0.00 H new ATOM 0 HE ARG A 27 17.647 -7.962 -22.476 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.970 -9.699 -19.684 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.545 -9.393 -18.686 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.837 -7.594 -21.202 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.773 -8.202 -19.544 1.00 0.00 H new ATOM 404 N TYR A 28 19.887 -3.982 -22.948 1.00 0.00 N ATOM 405 CA TYR A 28 20.120 -2.671 -22.375 1.00 0.00 C ATOM 406 C TYR A 28 20.383 -2.830 -20.879 1.00 0.00 C ATOM 407 O TYR A 28 19.486 -3.203 -20.122 1.00 0.00 O ATOM 408 CB TYR A 28 18.899 -1.782 -22.629 1.00 0.00 C ATOM 409 CG TYR A 28 19.199 -0.303 -22.621 1.00 0.00 C ATOM 410 CD1 TYR A 28 19.722 0.320 -23.745 1.00 0.00 C ATOM 411 CD2 TYR A 28 18.955 0.470 -21.499 1.00 0.00 C ATOM 412 CE1 TYR A 28 19.998 1.672 -23.748 1.00 0.00 C ATOM 413 CE2 TYR A 28 19.227 1.822 -21.495 1.00 0.00 C ATOM 414 CZ TYR A 28 19.748 2.419 -22.621 1.00 0.00 C ATOM 415 OH TYR A 28 20.028 3.766 -22.614 1.00 0.00 O ATOM 0 H TYR A 28 18.947 -4.345 -22.790 1.00 0.00 H new ATOM 0 HA TYR A 28 20.987 -2.199 -22.837 1.00 0.00 H new ATOM 0 HB2 TYR A 28 18.464 -2.048 -23.592 1.00 0.00 H new ATOM 0 HB3 TYR A 28 18.146 -1.993 -21.870 1.00 0.00 H new ATOM 0 HD1 TYR A 28 19.916 -0.263 -24.633 1.00 0.00 H new ATOM 0 HD2 TYR A 28 18.545 0.007 -20.613 1.00 0.00 H new ATOM 0 HE1 TYR A 28 20.408 2.141 -24.630 1.00 0.00 H new ATOM 0 HE2 TYR A 28 19.032 2.411 -20.611 1.00 0.00 H new ATOM 0 HH TYR A 28 20.743 3.948 -21.969 1.00 0.00 H new ATOM 425 N ILE A 29 21.612 -2.561 -20.459 1.00 0.00 N ATOM 426 CA ILE A 29 22.041 -2.869 -19.096 1.00 0.00 C ATOM 427 C ILE A 29 22.644 -1.651 -18.407 1.00 0.00 C ATOM 428 O ILE A 29 23.090 -0.710 -19.064 1.00 0.00 O ATOM 429 CB ILE A 29 23.044 -4.053 -19.069 1.00 0.00 C ATOM 430 CG1 ILE A 29 24.153 -3.887 -20.120 1.00 0.00 C ATOM 431 CG2 ILE A 29 22.314 -5.370 -19.279 1.00 0.00 C ATOM 432 CD1 ILE A 29 25.281 -2.968 -19.698 1.00 0.00 C ATOM 0 H ILE A 29 22.331 -2.130 -21.040 1.00 0.00 H new ATOM 0 HA ILE A 29 21.148 -3.164 -18.544 1.00 0.00 H new ATOM 0 HB ILE A 29 23.518 -4.058 -18.087 1.00 0.00 H new ATOM 0 HG12 ILE A 29 24.567 -4.868 -20.352 1.00 0.00 H new ATOM 0 HG13 ILE A 29 23.711 -3.502 -21.039 1.00 0.00 H new ATOM 0 HG21 ILE A 29 23.031 -6.191 -19.258 1.00 0.00 H new ATOM 0 HG22 ILE A 29 21.579 -5.509 -18.486 1.00 0.00 H new ATOM 0 HG23 ILE A 29 21.808 -5.356 -20.244 1.00 0.00 H new ATOM 0 HD11 ILE A 29 26.019 -2.908 -20.497 1.00 0.00 H new ATOM 0 HD12 ILE A 29 24.884 -1.974 -19.495 1.00 0.00 H new ATOM 0 HD13 ILE A 29 25.753 -3.361 -18.797 1.00 0.00 H new ATOM 444 N VAL A 30 22.666 -1.675 -17.082 1.00 0.00 N ATOM 445 CA VAL A 30 23.108 -0.524 -16.311 1.00 0.00 C ATOM 446 C VAL A 30 24.502 -0.740 -15.725 1.00 0.00 C ATOM 447 O VAL A 30 24.868 -1.849 -15.332 1.00 0.00 O ATOM 448 CB VAL A 30 22.111 -0.185 -15.173 1.00 0.00 C ATOM 449 CG1 VAL A 30 21.990 -1.339 -14.189 1.00 0.00 C ATOM 450 CG2 VAL A 30 22.520 1.096 -14.458 1.00 0.00 C ATOM 0 H VAL A 30 22.383 -2.478 -16.520 1.00 0.00 H new ATOM 0 HA VAL A 30 23.149 0.317 -17.003 1.00 0.00 H new ATOM 0 HB VAL A 30 21.131 -0.025 -15.623 1.00 0.00 H new ATOM 0 HG11 VAL A 30 21.284 -1.073 -13.402 1.00 0.00 H new ATOM 0 HG12 VAL A 30 21.634 -2.227 -14.711 1.00 0.00 H new ATOM 0 HG13 VAL A 30 22.965 -1.545 -13.748 1.00 0.00 H new ATOM 0 HG21 VAL A 30 21.806 1.313 -13.664 1.00 0.00 H new ATOM 0 HG22 VAL A 30 23.514 0.971 -14.028 1.00 0.00 H new ATOM 0 HG23 VAL A 30 22.534 1.921 -15.170 1.00 0.00 H new ATOM 460 N ARG A 31 25.277 0.328 -15.690 1.00 0.00 N ATOM 461 CA ARG A 31 26.580 0.325 -15.057 1.00 0.00 C ATOM 462 C ARG A 31 26.679 1.559 -14.165 1.00 0.00 C ATOM 463 O ARG A 31 25.902 2.501 -14.325 1.00 0.00 O ATOM 464 CB ARG A 31 27.678 0.336 -16.124 1.00 0.00 C ATOM 465 CG ARG A 31 29.049 -0.087 -15.621 1.00 0.00 C ATOM 466 CD ARG A 31 29.167 -1.599 -15.459 1.00 0.00 C ATOM 467 NE ARG A 31 28.291 -2.130 -14.412 1.00 0.00 N ATOM 468 CZ ARG A 31 28.738 -2.671 -13.277 1.00 0.00 C ATOM 469 NH1 ARG A 31 30.044 -2.743 -13.042 1.00 0.00 N ATOM 470 NH2 ARG A 31 27.876 -3.142 -12.381 1.00 0.00 N ATOM 0 H ARG A 31 25.018 1.225 -16.102 1.00 0.00 H new ATOM 0 HA ARG A 31 26.709 -0.574 -14.454 1.00 0.00 H new ATOM 0 HB2 ARG A 31 27.383 -0.326 -16.938 1.00 0.00 H new ATOM 0 HB3 ARG A 31 27.752 1.340 -16.541 1.00 0.00 H new ATOM 0 HG2 ARG A 31 29.812 0.262 -16.317 1.00 0.00 H new ATOM 0 HG3 ARG A 31 29.246 0.395 -14.663 1.00 0.00 H new ATOM 0 HD2 ARG A 31 28.926 -2.081 -16.407 1.00 0.00 H new ATOM 0 HD3 ARG A 31 30.200 -1.855 -15.225 1.00 0.00 H new ATOM 0 HE ARG A 31 27.283 -2.084 -14.559 1.00 0.00 H new ATOM 0 HH11 ARG A 31 30.706 -2.384 -13.730 1.00 0.00 H new ATOM 0 HH12 ARG A 31 30.384 -3.157 -12.174 1.00 0.00 H new ATOM 0 HH21 ARG A 31 26.873 -3.090 -12.561 1.00 0.00 H new ATOM 0 HH22 ARG A 31 28.217 -3.556 -11.513 1.00 0.00 H new ATOM 484 N PHE A 32 27.607 1.564 -13.222 1.00 0.00 N ATOM 485 CA PHE A 32 27.728 2.693 -12.309 1.00 0.00 C ATOM 486 C PHE A 32 28.466 3.841 -12.986 1.00 0.00 C ATOM 487 O PHE A 32 28.096 5.004 -12.840 1.00 0.00 O ATOM 488 CB PHE A 32 28.444 2.274 -11.023 1.00 0.00 C ATOM 489 CG PHE A 32 28.502 3.359 -9.988 1.00 0.00 C ATOM 490 CD1 PHE A 32 27.392 3.652 -9.211 1.00 0.00 C ATOM 491 CD2 PHE A 32 29.662 4.090 -9.796 1.00 0.00 C ATOM 492 CE1 PHE A 32 27.441 4.651 -8.260 1.00 0.00 C ATOM 493 CE2 PHE A 32 29.715 5.092 -8.848 1.00 0.00 C ATOM 494 CZ PHE A 32 28.604 5.373 -8.080 1.00 0.00 C ATOM 0 H PHE A 32 28.279 0.812 -13.068 1.00 0.00 H new ATOM 0 HA PHE A 32 26.727 3.033 -12.043 1.00 0.00 H new ATOM 0 HB2 PHE A 32 27.937 1.407 -10.600 1.00 0.00 H new ATOM 0 HB3 PHE A 32 29.459 1.962 -11.267 1.00 0.00 H new ATOM 0 HD1 PHE A 32 26.479 3.092 -9.351 1.00 0.00 H new ATOM 0 HD2 PHE A 32 30.535 3.874 -10.394 1.00 0.00 H new ATOM 0 HE1 PHE A 32 26.571 4.868 -7.658 1.00 0.00 H new ATOM 0 HE2 PHE A 32 30.626 5.656 -8.708 1.00 0.00 H new ATOM 0 HZ PHE A 32 28.644 6.157 -7.338 1.00 0.00 H new ATOM 504 N SER A 33 29.498 3.503 -13.738 1.00 0.00 N ATOM 505 CA SER A 33 30.270 4.496 -14.461 1.00 0.00 C ATOM 506 C SER A 33 30.013 4.386 -15.960 1.00 0.00 C ATOM 507 O SER A 33 29.910 3.287 -16.500 1.00 0.00 O ATOM 508 CB SER A 33 31.757 4.318 -14.156 1.00 0.00 C ATOM 509 OG SER A 33 32.142 2.960 -14.280 1.00 0.00 O ATOM 0 H SER A 33 29.821 2.544 -13.864 1.00 0.00 H new ATOM 0 HA SER A 33 29.960 5.489 -14.137 1.00 0.00 H new ATOM 0 HB2 SER A 33 32.347 4.931 -14.837 1.00 0.00 H new ATOM 0 HB3 SER A 33 31.969 4.669 -13.146 1.00 0.00 H new ATOM 0 HG SER A 33 33.098 2.872 -14.082 1.00 0.00 H new ATOM 515 N GLU A 34 29.885 5.526 -16.622 1.00 0.00 N ATOM 516 CA GLU A 34 29.664 5.556 -18.065 1.00 0.00 C ATOM 517 C GLU A 34 30.914 5.123 -18.828 1.00 0.00 C ATOM 518 O GLU A 34 30.834 4.423 -19.835 1.00 0.00 O ATOM 519 CB GLU A 34 29.253 6.960 -18.507 1.00 0.00 C ATOM 520 CG GLU A 34 30.166 8.048 -17.972 1.00 0.00 C ATOM 521 CD GLU A 34 29.893 9.398 -18.586 1.00 0.00 C ATOM 522 OE1 GLU A 34 28.734 9.844 -18.558 1.00 0.00 O ATOM 523 OE2 GLU A 34 30.848 10.026 -19.086 1.00 0.00 O ATOM 0 H GLU A 34 29.930 6.446 -16.184 1.00 0.00 H new ATOM 0 HA GLU A 34 28.863 4.853 -18.293 1.00 0.00 H new ATOM 0 HB2 GLU A 34 29.247 7.003 -19.596 1.00 0.00 H new ATOM 0 HB3 GLU A 34 28.233 7.154 -18.174 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.047 8.116 -16.891 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.203 7.771 -18.162 1.00 0.00 H new ATOM 530 N ASP A 35 32.070 5.529 -18.326 1.00 0.00 N ATOM 531 CA ASP A 35 33.331 5.314 -19.028 1.00 0.00 C ATOM 532 C ASP A 35 33.926 3.938 -18.735 1.00 0.00 C ATOM 533 O ASP A 35 35.108 3.699 -18.984 1.00 0.00 O ATOM 534 CB ASP A 35 34.336 6.418 -18.674 1.00 0.00 C ATOM 535 CG ASP A 35 34.504 6.612 -17.182 1.00 0.00 C ATOM 536 OD1 ASP A 35 33.753 7.429 -16.600 1.00 0.00 O ATOM 537 OD2 ASP A 35 35.384 5.961 -16.582 1.00 0.00 O ATOM 0 H ASP A 35 32.164 6.011 -17.432 1.00 0.00 H new ATOM 0 HA ASP A 35 33.118 5.354 -20.096 1.00 0.00 H new ATOM 0 HB2 ASP A 35 35.303 6.175 -19.114 1.00 0.00 H new ATOM 0 HB3 ASP A 35 34.009 7.356 -19.122 1.00 0.00 H new ATOM 542 N SER A 36 33.109 3.027 -18.227 1.00 0.00 N ATOM 543 CA SER A 36 33.549 1.654 -18.030 1.00 0.00 C ATOM 544 C SER A 36 33.079 0.788 -19.195 1.00 0.00 C ATOM 545 O SER A 36 33.504 -0.360 -19.349 1.00 0.00 O ATOM 546 CB SER A 36 33.024 1.104 -16.707 1.00 0.00 C ATOM 547 OG SER A 36 31.620 1.225 -16.636 1.00 0.00 O ATOM 0 H SER A 36 32.146 3.211 -17.946 1.00 0.00 H new ATOM 0 HA SER A 36 34.638 1.636 -17.994 1.00 0.00 H new ATOM 0 HB2 SER A 36 33.309 0.057 -16.605 1.00 0.00 H new ATOM 0 HB3 SER A 36 33.482 1.642 -15.877 1.00 0.00 H new ATOM 0 HG SER A 36 31.380 2.161 -16.470 1.00 0.00 H new ATOM 553 N PHE A 37 32.196 1.350 -20.013 1.00 0.00 N ATOM 554 CA PHE A 37 31.737 0.676 -21.215 1.00 0.00 C ATOM 555 C PHE A 37 32.851 0.652 -22.250 1.00 0.00 C ATOM 556 O PHE A 37 33.651 1.587 -22.337 1.00 0.00 O ATOM 557 CB PHE A 37 30.498 1.364 -21.794 1.00 0.00 C ATOM 558 CG PHE A 37 29.264 1.234 -20.942 1.00 0.00 C ATOM 559 CD1 PHE A 37 28.710 -0.010 -20.689 1.00 0.00 C ATOM 560 CD2 PHE A 37 28.649 2.356 -20.410 1.00 0.00 C ATOM 561 CE1 PHE A 37 27.568 -0.132 -19.921 1.00 0.00 C ATOM 562 CE2 PHE A 37 27.508 2.240 -19.640 1.00 0.00 C ATOM 563 CZ PHE A 37 26.967 0.994 -19.395 1.00 0.00 C ATOM 0 H PHE A 37 31.785 2.271 -19.863 1.00 0.00 H new ATOM 0 HA PHE A 37 31.465 -0.346 -20.952 1.00 0.00 H new ATOM 0 HB2 PHE A 37 30.717 2.422 -21.937 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.291 0.946 -22.779 1.00 0.00 H new ATOM 0 HD1 PHE A 37 29.176 -0.895 -21.097 1.00 0.00 H new ATOM 0 HD2 PHE A 37 29.067 3.334 -20.600 1.00 0.00 H new ATOM 0 HE1 PHE A 37 27.146 -1.108 -19.732 1.00 0.00 H new ATOM 0 HE2 PHE A 37 27.040 3.123 -19.230 1.00 0.00 H new ATOM 0 HZ PHE A 37 26.075 0.900 -18.793 1.00 0.00 H new ATOM 573 N GLY A 38 32.916 -0.421 -23.017 1.00 0.00 N ATOM 574 CA GLY A 38 33.947 -0.544 -24.019 1.00 0.00 C ATOM 575 C GLY A 38 33.474 -0.085 -25.377 1.00 0.00 C ATOM 576 O GLY A 38 32.406 0.515 -25.499 1.00 0.00 O ATOM 0 H GLY A 38 32.272 -1.210 -22.963 1.00 0.00 H new ATOM 0 HA2 GLY A 38 34.815 0.044 -23.720 1.00 0.00 H new ATOM 0 HA3 GLY A 38 34.271 -1.583 -24.080 1.00 0.00 H new ATOM 580 N MET A 39 34.259 -0.387 -26.401 1.00 0.00 N ATOM 581 CA MET A 39 33.930 -0.004 -27.771 1.00 0.00 C ATOM 582 C MET A 39 32.712 -0.770 -28.294 1.00 0.00 C ATOM 583 O MET A 39 32.249 -0.527 -29.409 1.00 0.00 O ATOM 584 CB MET A 39 35.134 -0.231 -28.693 1.00 0.00 C ATOM 585 CG MET A 39 35.585 -1.682 -28.773 1.00 0.00 C ATOM 586 SD MET A 39 37.049 -1.898 -29.806 1.00 0.00 S ATOM 587 CE MET A 39 37.272 -3.673 -29.699 1.00 0.00 C ATOM 0 H MET A 39 35.136 -0.900 -26.310 1.00 0.00 H new ATOM 0 HA MET A 39 33.680 1.057 -27.766 1.00 0.00 H new ATOM 0 HB2 MET A 39 34.882 0.117 -29.695 1.00 0.00 H new ATOM 0 HB3 MET A 39 35.967 0.379 -28.344 1.00 0.00 H new ATOM 0 HG2 MET A 39 35.796 -2.049 -27.769 1.00 0.00 H new ATOM 0 HG3 MET A 39 34.772 -2.290 -29.170 1.00 0.00 H new ATOM 0 HE1 MET A 39 38.141 -3.967 -30.287 1.00 0.00 H new ATOM 0 HE2 MET A 39 37.425 -3.958 -28.658 1.00 0.00 H new ATOM 0 HE3 MET A 39 36.385 -4.175 -30.086 1.00 0.00 H new ATOM 597 N ASP A 40 32.198 -1.693 -27.492 1.00 0.00 N ATOM 598 CA ASP A 40 30.996 -2.432 -27.855 1.00 0.00 C ATOM 599 C ASP A 40 29.768 -1.556 -27.663 1.00 0.00 C ATOM 600 O ASP A 40 28.900 -1.483 -28.529 1.00 0.00 O ATOM 601 CB ASP A 40 30.857 -3.703 -27.018 1.00 0.00 C ATOM 602 CG ASP A 40 29.630 -4.506 -27.403 1.00 0.00 C ATOM 603 OD1 ASP A 40 28.538 -4.241 -26.856 1.00 0.00 O ATOM 604 OD2 ASP A 40 29.753 -5.407 -28.255 1.00 0.00 O ATOM 0 H ASP A 40 32.594 -1.948 -26.587 1.00 0.00 H new ATOM 0 HA ASP A 40 31.080 -2.718 -28.904 1.00 0.00 H new ATOM 0 HB2 ASP A 40 31.747 -4.319 -27.144 1.00 0.00 H new ATOM 0 HB3 ASP A 40 30.800 -3.437 -25.962 1.00 0.00 H new ATOM 609 N VAL A 41 29.715 -0.878 -26.528 1.00 0.00 N ATOM 610 CA VAL A 41 28.602 0.001 -26.219 1.00 0.00 C ATOM 611 C VAL A 41 28.805 1.354 -26.888 1.00 0.00 C ATOM 612 O VAL A 41 29.876 1.953 -26.790 1.00 0.00 O ATOM 613 CB VAL A 41 28.440 0.191 -24.695 1.00 0.00 C ATOM 614 CG1 VAL A 41 27.261 1.102 -24.378 1.00 0.00 C ATOM 615 CG2 VAL A 41 28.280 -1.157 -24.007 1.00 0.00 C ATOM 0 H VAL A 41 30.433 -0.921 -25.804 1.00 0.00 H new ATOM 0 HA VAL A 41 27.693 -0.463 -26.602 1.00 0.00 H new ATOM 0 HB VAL A 41 29.342 0.670 -24.314 1.00 0.00 H new ATOM 0 HG11 VAL A 41 27.171 1.218 -23.298 1.00 0.00 H new ATOM 0 HG12 VAL A 41 27.422 2.078 -24.835 1.00 0.00 H new ATOM 0 HG13 VAL A 41 26.345 0.663 -24.773 1.00 0.00 H new ATOM 0 HG21 VAL A 41 28.167 -1.006 -22.933 1.00 0.00 H new ATOM 0 HG22 VAL A 41 27.397 -1.662 -24.398 1.00 0.00 H new ATOM 0 HG23 VAL A 41 29.162 -1.769 -24.197 1.00 0.00 H new ATOM 625 N ALA A 42 27.784 1.820 -27.587 1.00 0.00 N ATOM 626 CA ALA A 42 27.860 3.091 -28.286 1.00 0.00 C ATOM 627 C ALA A 42 27.655 4.250 -27.321 1.00 0.00 C ATOM 628 O ALA A 42 26.860 4.152 -26.388 1.00 0.00 O ATOM 629 CB ALA A 42 26.827 3.141 -29.398 1.00 0.00 C ATOM 0 H ALA A 42 26.891 1.336 -27.685 1.00 0.00 H new ATOM 0 HA ALA A 42 28.854 3.183 -28.725 1.00 0.00 H new ATOM 0 HB1 ALA A 42 26.894 4.099 -29.914 1.00 0.00 H new ATOM 0 HB2 ALA A 42 27.015 2.333 -30.106 1.00 0.00 H new ATOM 0 HB3 ALA A 42 25.830 3.027 -28.973 1.00 0.00 H new ATOM 635 N ASP A 43 28.374 5.343 -27.551 1.00 0.00 N ATOM 636 CA ASP A 43 28.242 6.548 -26.732 1.00 0.00 C ATOM 637 C ASP A 43 26.813 7.070 -26.778 1.00 0.00 C ATOM 638 O ASP A 43 26.266 7.530 -25.776 1.00 0.00 O ATOM 639 CB ASP A 43 29.207 7.630 -27.223 1.00 0.00 C ATOM 640 CG ASP A 43 29.035 8.944 -26.483 1.00 0.00 C ATOM 641 OD1 ASP A 43 29.583 9.082 -25.369 1.00 0.00 O ATOM 642 OD2 ASP A 43 28.362 9.851 -27.017 1.00 0.00 O ATOM 0 H ASP A 43 29.059 5.422 -28.302 1.00 0.00 H new ATOM 0 HA ASP A 43 28.489 6.292 -25.702 1.00 0.00 H new ATOM 0 HB2 ASP A 43 30.232 7.280 -27.101 1.00 0.00 H new ATOM 0 HB3 ASP A 43 29.051 7.794 -28.289 1.00 0.00 H new ATOM 647 N ASP A 44 26.206 6.961 -27.950 1.00 0.00 N ATOM 648 CA ASP A 44 24.831 7.399 -28.159 1.00 0.00 C ATOM 649 C ASP A 44 23.855 6.507 -27.394 1.00 0.00 C ATOM 650 O ASP A 44 22.738 6.913 -27.079 1.00 0.00 O ATOM 651 CB ASP A 44 24.510 7.378 -29.658 1.00 0.00 C ATOM 652 CG ASP A 44 23.064 7.716 -29.963 1.00 0.00 C ATOM 653 OD1 ASP A 44 22.685 8.898 -29.840 1.00 0.00 O ATOM 654 OD2 ASP A 44 22.305 6.801 -30.346 1.00 0.00 O ATOM 0 H ASP A 44 26.649 6.568 -28.781 1.00 0.00 H new ATOM 0 HA ASP A 44 24.724 8.416 -27.781 1.00 0.00 H new ATOM 0 HB2 ASP A 44 25.159 8.087 -30.172 1.00 0.00 H new ATOM 0 HB3 ASP A 44 24.738 6.390 -30.058 1.00 0.00 H new ATOM 659 N SER A 45 24.298 5.303 -27.069 1.00 0.00 N ATOM 660 CA SER A 45 23.459 4.336 -26.381 1.00 0.00 C ATOM 661 C SER A 45 23.630 4.434 -24.864 1.00 0.00 C ATOM 662 O SER A 45 23.033 3.662 -24.117 1.00 0.00 O ATOM 663 CB SER A 45 23.805 2.926 -26.855 1.00 0.00 C ATOM 664 OG SER A 45 23.794 2.849 -28.270 1.00 0.00 O ATOM 0 H SER A 45 25.241 4.971 -27.273 1.00 0.00 H new ATOM 0 HA SER A 45 22.418 4.556 -26.617 1.00 0.00 H new ATOM 0 HB2 SER A 45 24.788 2.643 -26.479 1.00 0.00 H new ATOM 0 HB3 SER A 45 23.090 2.214 -26.443 1.00 0.00 H new ATOM 0 HG SER A 45 24.142 1.978 -28.553 1.00 0.00 H new ATOM 670 N ILE A 46 24.453 5.376 -24.413 1.00 0.00 N ATOM 671 CA ILE A 46 24.672 5.575 -22.986 1.00 0.00 C ATOM 672 C ILE A 46 23.772 6.691 -22.465 1.00 0.00 C ATOM 673 O ILE A 46 23.790 7.808 -22.983 1.00 0.00 O ATOM 674 CB ILE A 46 26.148 5.915 -22.672 1.00 0.00 C ATOM 675 CG1 ILE A 46 27.067 4.788 -23.155 1.00 0.00 C ATOM 676 CG2 ILE A 46 26.333 6.153 -21.176 1.00 0.00 C ATOM 677 CD1 ILE A 46 28.541 5.060 -22.933 1.00 0.00 C ATOM 0 H ILE A 46 24.978 6.012 -25.014 1.00 0.00 H new ATOM 0 HA ILE A 46 24.426 4.638 -22.486 1.00 0.00 H new ATOM 0 HB ILE A 46 26.415 6.830 -23.201 1.00 0.00 H new ATOM 0 HG12 ILE A 46 26.796 3.866 -22.641 1.00 0.00 H new ATOM 0 HG13 ILE A 46 26.894 4.622 -24.218 1.00 0.00 H new ATOM 0 HG21 ILE A 46 27.377 6.391 -20.972 1.00 0.00 H new ATOM 0 HG22 ILE A 46 25.703 6.984 -20.859 1.00 0.00 H new ATOM 0 HG23 ILE A 46 26.052 5.254 -20.627 1.00 0.00 H new ATOM 0 HD11 ILE A 46 29.126 4.217 -23.301 1.00 0.00 H new ATOM 0 HD12 ILE A 46 28.829 5.963 -23.470 1.00 0.00 H new ATOM 0 HD13 ILE A 46 28.730 5.196 -21.868 1.00 0.00 H new ATOM 689 N THR A 47 22.969 6.379 -21.458 1.00 0.00 N ATOM 690 CA THR A 47 22.060 7.354 -20.875 1.00 0.00 C ATOM 691 C THR A 47 21.962 7.158 -19.361 1.00 0.00 C ATOM 692 O THR A 47 21.790 6.036 -18.889 1.00 0.00 O ATOM 693 CB THR A 47 20.652 7.229 -21.502 1.00 0.00 C ATOM 694 OG1 THR A 47 20.739 7.357 -22.929 1.00 0.00 O ATOM 695 CG2 THR A 47 19.703 8.288 -20.956 1.00 0.00 C ATOM 0 H THR A 47 22.929 5.455 -21.027 1.00 0.00 H new ATOM 0 HA THR A 47 22.456 8.348 -21.083 1.00 0.00 H new ATOM 0 HB THR A 47 20.257 6.247 -21.241 1.00 0.00 H new ATOM 0 HG1 THR A 47 19.844 7.275 -23.320 1.00 0.00 H new ATOM 0 HG21 THR A 47 18.723 8.171 -21.418 1.00 0.00 H new ATOM 0 HG22 THR A 47 19.611 8.172 -19.876 1.00 0.00 H new ATOM 0 HG23 THR A 47 20.095 9.279 -21.183 1.00 0.00 H new ATOM 703 N PRO A 48 22.105 8.239 -18.574 1.00 0.00 N ATOM 704 CA PRO A 48 21.904 8.185 -17.124 1.00 0.00 C ATOM 705 C PRO A 48 20.490 7.721 -16.780 1.00 0.00 C ATOM 706 O PRO A 48 19.527 8.116 -17.436 1.00 0.00 O ATOM 707 CB PRO A 48 22.127 9.632 -16.662 1.00 0.00 C ATOM 708 CG PRO A 48 22.027 10.463 -17.898 1.00 0.00 C ATOM 709 CD PRO A 48 22.480 9.585 -19.029 1.00 0.00 C ATOM 0 HA PRO A 48 22.577 7.478 -16.639 1.00 0.00 H new ATOM 0 HB2 PRO A 48 21.379 9.929 -15.927 1.00 0.00 H new ATOM 0 HB3 PRO A 48 23.102 9.747 -16.189 1.00 0.00 H new ATOM 0 HG2 PRO A 48 21.004 10.805 -18.056 1.00 0.00 H new ATOM 0 HG3 PRO A 48 22.652 11.353 -17.821 1.00 0.00 H new ATOM 0 HD2 PRO A 48 21.987 9.846 -19.965 1.00 0.00 H new ATOM 0 HD3 PRO A 48 23.553 9.669 -19.200 1.00 0.00 H new ATOM 717 N THR A 49 20.370 6.893 -15.749 1.00 0.00 N ATOM 718 CA THR A 49 19.095 6.277 -15.396 1.00 0.00 C ATOM 719 C THR A 49 18.036 7.323 -15.036 1.00 0.00 C ATOM 720 O THR A 49 16.840 7.077 -15.183 1.00 0.00 O ATOM 721 CB THR A 49 19.255 5.264 -14.238 1.00 0.00 C ATOM 722 OG1 THR A 49 18.010 4.609 -13.976 1.00 0.00 O ATOM 723 CG2 THR A 49 19.747 5.942 -12.969 1.00 0.00 C ATOM 0 H THR A 49 21.145 6.631 -15.139 1.00 0.00 H new ATOM 0 HA THR A 49 18.754 5.740 -16.281 1.00 0.00 H new ATOM 0 HB THR A 49 19.998 4.529 -14.546 1.00 0.00 H new ATOM 0 HG1 THR A 49 17.962 4.365 -13.028 1.00 0.00 H new ATOM 0 HG21 THR A 49 19.848 5.201 -12.176 1.00 0.00 H new ATOM 0 HG22 THR A 49 20.715 6.407 -13.157 1.00 0.00 H new ATOM 0 HG23 THR A 49 19.031 6.705 -12.663 1.00 0.00 H new ATOM 731 N SER A 50 18.473 8.492 -14.583 1.00 0.00 N ATOM 732 CA SER A 50 17.551 9.574 -14.282 1.00 0.00 C ATOM 733 C SER A 50 16.952 10.118 -15.575 1.00 0.00 C ATOM 734 O SER A 50 15.745 10.307 -15.680 1.00 0.00 O ATOM 735 CB SER A 50 18.268 10.685 -13.512 1.00 0.00 C ATOM 736 OG SER A 50 17.374 11.717 -13.128 1.00 0.00 O ATOM 0 H SER A 50 19.455 8.712 -14.418 1.00 0.00 H new ATOM 0 HA SER A 50 16.745 9.190 -13.656 1.00 0.00 H new ATOM 0 HB2 SER A 50 18.742 10.265 -12.625 1.00 0.00 H new ATOM 0 HB3 SER A 50 19.062 11.103 -14.131 1.00 0.00 H new ATOM 0 HG SER A 50 16.645 11.337 -12.595 1.00 0.00 H new ATOM 742 N GLU A 51 17.797 10.319 -16.577 1.00 0.00 N ATOM 743 CA GLU A 51 17.344 10.838 -17.858 1.00 0.00 C ATOM 744 C GLU A 51 16.699 9.723 -18.680 1.00 0.00 C ATOM 745 O GLU A 51 16.138 9.961 -19.743 1.00 0.00 O ATOM 746 CB GLU A 51 18.514 11.459 -18.627 1.00 0.00 C ATOM 747 CG GLU A 51 18.088 12.214 -19.874 1.00 0.00 C ATOM 748 CD GLU A 51 19.261 12.753 -20.659 1.00 0.00 C ATOM 749 OE1 GLU A 51 19.812 12.015 -21.498 1.00 0.00 O ATOM 750 OE2 GLU A 51 19.634 13.924 -20.451 1.00 0.00 O ATOM 0 H GLU A 51 18.798 10.131 -16.527 1.00 0.00 H new ATOM 0 HA GLU A 51 16.600 11.614 -17.677 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.052 12.139 -17.967 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.212 10.671 -18.910 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.502 11.552 -20.512 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.437 13.040 -19.589 1.00 0.00 H new ATOM 757 N PHE A 52 16.784 8.500 -18.180 1.00 0.00 N ATOM 758 CA PHE A 52 16.169 7.371 -18.851 1.00 0.00 C ATOM 759 C PHE A 52 14.683 7.309 -18.524 1.00 0.00 C ATOM 760 O PHE A 52 13.884 6.830 -19.325 1.00 0.00 O ATOM 761 CB PHE A 52 16.854 6.060 -18.457 1.00 0.00 C ATOM 762 CG PHE A 52 16.379 4.878 -19.253 1.00 0.00 C ATOM 763 CD1 PHE A 52 16.809 4.694 -20.558 1.00 0.00 C ATOM 764 CD2 PHE A 52 15.500 3.957 -18.704 1.00 0.00 C ATOM 765 CE1 PHE A 52 16.372 3.615 -21.300 1.00 0.00 C ATOM 766 CE2 PHE A 52 15.060 2.875 -19.443 1.00 0.00 C ATOM 767 CZ PHE A 52 15.497 2.704 -20.742 1.00 0.00 C ATOM 0 H PHE A 52 17.271 8.267 -17.315 1.00 0.00 H new ATOM 0 HA PHE A 52 16.289 7.507 -19.926 1.00 0.00 H new ATOM 0 HB2 PHE A 52 17.931 6.168 -18.587 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.678 5.870 -17.398 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.494 5.403 -20.999 1.00 0.00 H new ATOM 0 HD2 PHE A 52 15.156 4.086 -17.689 1.00 0.00 H new ATOM 0 HE1 PHE A 52 16.714 3.483 -22.316 1.00 0.00 H new ATOM 0 HE2 PHE A 52 14.375 2.164 -19.005 1.00 0.00 H new ATOM 0 HZ PHE A 52 15.155 1.859 -21.321 1.00 0.00 H new ATOM 777 N VAL A 53 14.313 7.798 -17.345 1.00 0.00 N ATOM 778 CA VAL A 53 12.913 7.804 -16.944 1.00 0.00 C ATOM 779 C VAL A 53 12.236 9.095 -17.385 1.00 0.00 C ATOM 780 O VAL A 53 11.018 9.136 -17.579 1.00 0.00 O ATOM 781 CB VAL A 53 12.733 7.601 -15.423 1.00 0.00 C ATOM 782 CG1 VAL A 53 13.376 6.298 -14.986 1.00 0.00 C ATOM 783 CG2 VAL A 53 13.302 8.768 -14.630 1.00 0.00 C ATOM 0 H VAL A 53 14.956 8.191 -16.658 1.00 0.00 H new ATOM 0 HA VAL A 53 12.438 6.959 -17.442 1.00 0.00 H new ATOM 0 HB VAL A 53 11.663 7.555 -15.218 1.00 0.00 H new ATOM 0 HG11 VAL A 53 13.241 6.168 -13.912 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.908 5.467 -15.514 1.00 0.00 H new ATOM 0 HG13 VAL A 53 14.441 6.322 -15.218 1.00 0.00 H new ATOM 0 HG21 VAL A 53 13.157 8.589 -13.565 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.367 8.865 -14.840 1.00 0.00 H new ATOM 0 HG23 VAL A 53 12.790 9.687 -14.917 1.00 0.00 H new ATOM 793 N TRP A 54 13.029 10.150 -17.546 1.00 0.00 N ATOM 794 CA TRP A 54 12.519 11.400 -18.079 1.00 0.00 C ATOM 795 C TRP A 54 12.700 11.429 -19.584 1.00 0.00 C ATOM 796 O TRP A 54 13.820 11.458 -20.088 1.00 0.00 O ATOM 797 CB TRP A 54 13.234 12.603 -17.459 1.00 0.00 C ATOM 798 CG TRP A 54 12.961 12.778 -15.999 1.00 0.00 C ATOM 799 CD1 TRP A 54 13.776 12.421 -14.967 1.00 0.00 C ATOM 800 CD2 TRP A 54 11.790 13.354 -15.410 1.00 0.00 C ATOM 801 NE1 TRP A 54 13.188 12.741 -13.770 1.00 0.00 N ATOM 802 CE2 TRP A 54 11.965 13.314 -14.014 1.00 0.00 C ATOM 803 CE3 TRP A 54 10.612 13.899 -15.927 1.00 0.00 C ATOM 804 CZ2 TRP A 54 11.005 13.798 -13.131 1.00 0.00 C ATOM 805 CZ3 TRP A 54 9.660 14.378 -15.049 1.00 0.00 C ATOM 806 CH2 TRP A 54 9.861 14.325 -13.665 1.00 0.00 C ATOM 0 H TRP A 54 14.022 10.161 -17.315 1.00 0.00 H new ATOM 0 HA TRP A 54 11.460 11.463 -17.830 1.00 0.00 H new ATOM 0 HB2 TRP A 54 14.308 12.492 -17.608 1.00 0.00 H new ATOM 0 HB3 TRP A 54 12.930 13.507 -17.987 1.00 0.00 H new ATOM 0 HD1 TRP A 54 14.744 11.954 -15.076 1.00 0.00 H new ATOM 0 HE1 TRP A 54 13.594 12.579 -12.848 1.00 0.00 H new ATOM 0 HE3 TRP A 54 10.449 13.945 -16.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 11.157 13.759 -12.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 8.745 14.801 -15.437 1.00 0.00 H new ATOM 0 HH2 TRP A 54 9.097 14.708 -13.005 1.00 0.00 H new ATOM 817 N SER A 55 11.601 11.438 -20.301 1.00 0.00 N ATOM 818 CA SER A 55 11.656 11.497 -21.739 1.00 0.00 C ATOM 819 C SER A 55 11.632 12.951 -22.175 1.00 0.00 C ATOM 820 O SER A 55 10.623 13.643 -22.013 1.00 0.00 O ATOM 821 CB SER A 55 10.490 10.723 -22.357 1.00 0.00 C ATOM 822 OG SER A 55 10.695 10.527 -23.746 1.00 0.00 O ATOM 0 H SER A 55 10.659 11.405 -19.911 1.00 0.00 H new ATOM 0 HA SER A 55 12.579 11.032 -22.086 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.385 9.758 -21.861 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.560 11.268 -22.196 1.00 0.00 H new ATOM 0 HG SER A 55 9.939 10.029 -24.121 1.00 0.00 H new ATOM 828 N SER A 56 12.756 13.428 -22.679 1.00 0.00 N ATOM 829 CA SER A 56 12.851 14.797 -23.130 1.00 0.00 C ATOM 830 C SER A 56 12.164 14.942 -24.482 1.00 0.00 C ATOM 831 O SER A 56 12.606 14.374 -25.480 1.00 0.00 O ATOM 832 CB SER A 56 14.319 15.207 -23.227 1.00 0.00 C ATOM 833 OG SER A 56 15.029 14.830 -22.055 1.00 0.00 O ATOM 0 H SER A 56 13.613 12.885 -22.785 1.00 0.00 H new ATOM 0 HA SER A 56 12.353 15.451 -22.414 1.00 0.00 H new ATOM 0 HB2 SER A 56 14.775 14.739 -24.100 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.391 16.285 -23.370 1.00 0.00 H new ATOM 0 HG SER A 56 14.661 15.306 -21.282 1.00 0.00 H new ATOM 839 N VAL A 57 11.075 15.691 -24.504 1.00 0.00 N ATOM 840 CA VAL A 57 10.335 15.913 -25.734 1.00 0.00 C ATOM 841 C VAL A 57 10.675 17.283 -26.295 1.00 0.00 C ATOM 842 O VAL A 57 10.379 17.596 -27.447 1.00 0.00 O ATOM 843 CB VAL A 57 8.809 15.794 -25.516 1.00 0.00 C ATOM 844 CG1 VAL A 57 8.445 14.391 -25.056 1.00 0.00 C ATOM 845 CG2 VAL A 57 8.319 16.829 -24.513 1.00 0.00 C ATOM 0 H VAL A 57 10.684 16.155 -23.684 1.00 0.00 H new ATOM 0 HA VAL A 57 10.627 15.140 -26.445 1.00 0.00 H new ATOM 0 HB VAL A 57 8.315 15.986 -26.468 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.367 14.325 -24.907 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.752 13.669 -25.813 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.955 14.172 -24.118 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.243 16.724 -24.378 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.821 16.676 -23.558 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.542 17.829 -24.884 1.00 0.00 H new ATOM 855 N ARG A 58 11.316 18.084 -25.459 1.00 0.00 N ATOM 856 CA ARG A 58 11.758 19.412 -25.825 1.00 0.00 C ATOM 857 C ARG A 58 12.962 19.766 -24.960 1.00 0.00 C ATOM 858 O ARG A 58 13.242 19.067 -23.984 1.00 0.00 O ATOM 859 CB ARG A 58 10.624 20.420 -25.607 1.00 0.00 C ATOM 860 CG ARG A 58 10.865 21.776 -26.245 1.00 0.00 C ATOM 861 CD ARG A 58 10.853 21.690 -27.762 1.00 0.00 C ATOM 862 NE ARG A 58 11.074 22.993 -28.381 1.00 0.00 N ATOM 863 CZ ARG A 58 10.192 23.601 -29.171 1.00 0.00 C ATOM 864 NH1 ARG A 58 9.041 23.012 -29.471 1.00 0.00 N ATOM 865 NH2 ARG A 58 10.465 24.797 -29.670 1.00 0.00 N ATOM 0 H ARG A 58 11.544 17.824 -24.499 1.00 0.00 H new ATOM 0 HA ARG A 58 12.037 19.443 -26.878 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.700 20.002 -26.007 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.475 20.556 -24.536 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.098 22.476 -25.914 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.824 22.171 -25.910 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.625 20.995 -28.093 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.897 21.287 -28.096 1.00 0.00 H new ATOM 0 HE ARG A 58 11.958 23.467 -28.197 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.828 22.088 -29.096 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.370 23.484 -30.077 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.351 25.252 -29.449 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.789 25.263 -30.275 1.00 0.00 H new ATOM 879 N ASP A 59 13.670 20.832 -25.314 1.00 0.00 N ATOM 880 CA ASP A 59 14.838 21.271 -24.552 1.00 0.00 C ATOM 881 C ASP A 59 14.485 21.525 -23.093 1.00 0.00 C ATOM 882 O ASP A 59 15.207 21.108 -22.186 1.00 0.00 O ATOM 883 CB ASP A 59 15.427 22.549 -25.154 1.00 0.00 C ATOM 884 CG ASP A 59 16.094 22.319 -26.491 1.00 0.00 C ATOM 885 OD1 ASP A 59 15.377 22.209 -27.509 1.00 0.00 O ATOM 886 OD2 ASP A 59 17.341 22.253 -26.535 1.00 0.00 O ATOM 0 H ASP A 59 13.457 21.411 -26.126 1.00 0.00 H new ATOM 0 HA ASP A 59 15.576 20.470 -24.602 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.634 23.287 -25.272 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.154 22.970 -24.459 1.00 0.00 H new ATOM 891 N ASP A 60 13.376 22.215 -22.872 1.00 0.00 N ATOM 892 CA ASP A 60 12.971 22.595 -21.528 1.00 0.00 C ATOM 893 C ASP A 60 11.813 21.741 -21.023 1.00 0.00 C ATOM 894 O ASP A 60 11.446 21.828 -19.857 1.00 0.00 O ATOM 895 CB ASP A 60 12.576 24.075 -21.497 1.00 0.00 C ATOM 896 CG ASP A 60 11.362 24.379 -22.357 1.00 0.00 C ATOM 897 OD1 ASP A 60 11.360 24.003 -23.550 1.00 0.00 O ATOM 898 OD2 ASP A 60 10.415 25.018 -21.852 1.00 0.00 O ATOM 0 H ASP A 60 12.740 22.523 -23.608 1.00 0.00 H new ATOM 0 HA ASP A 60 13.822 22.428 -20.868 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.369 24.370 -20.468 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.417 24.678 -21.838 1.00 0.00 H new ATOM 903 N VAL A 61 11.250 20.909 -21.891 1.00 0.00 N ATOM 904 CA VAL A 61 10.087 20.106 -21.527 1.00 0.00 C ATOM 905 C VAL A 61 10.403 18.613 -21.569 1.00 0.00 C ATOM 906 O VAL A 61 10.740 18.060 -22.619 1.00 0.00 O ATOM 907 CB VAL A 61 8.885 20.388 -22.455 1.00 0.00 C ATOM 908 CG1 VAL A 61 7.655 19.619 -21.995 1.00 0.00 C ATOM 909 CG2 VAL A 61 8.590 21.878 -22.516 1.00 0.00 C ATOM 0 H VAL A 61 11.577 20.772 -22.847 1.00 0.00 H new ATOM 0 HA VAL A 61 9.825 20.391 -20.508 1.00 0.00 H new ATOM 0 HB VAL A 61 9.145 20.048 -23.458 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.821 19.833 -22.663 1.00 0.00 H new ATOM 0 HG12 VAL A 61 7.867 18.550 -22.011 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.394 19.922 -20.981 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.740 22.054 -23.175 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.356 22.244 -21.516 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.463 22.406 -22.900 1.00 0.00 H new ATOM 919 N MET A 62 10.301 17.968 -20.419 1.00 0.00 N ATOM 920 CA MET A 62 10.474 16.525 -20.323 1.00 0.00 C ATOM 921 C MET A 62 9.257 15.917 -19.638 1.00 0.00 C ATOM 922 O MET A 62 8.489 16.634 -19.003 1.00 0.00 O ATOM 923 CB MET A 62 11.740 16.183 -19.530 1.00 0.00 C ATOM 924 CG MET A 62 13.000 16.847 -20.064 1.00 0.00 C ATOM 925 SD MET A 62 14.480 16.351 -19.164 1.00 0.00 S ATOM 926 CE MET A 62 15.721 17.363 -19.969 1.00 0.00 C ATOM 0 H MET A 62 10.097 18.425 -19.530 1.00 0.00 H new ATOM 0 HA MET A 62 10.576 16.114 -21.328 1.00 0.00 H new ATOM 0 HB2 MET A 62 11.597 16.480 -18.491 1.00 0.00 H new ATOM 0 HB3 MET A 62 11.880 15.102 -19.537 1.00 0.00 H new ATOM 0 HG2 MET A 62 13.119 16.596 -21.118 1.00 0.00 H new ATOM 0 HG3 MET A 62 12.889 17.930 -20.004 1.00 0.00 H new ATOM 0 HE1 MET A 62 16.710 16.947 -19.777 1.00 0.00 H new ATOM 0 HE2 MET A 62 15.536 17.380 -21.043 1.00 0.00 H new ATOM 0 HE3 MET A 62 15.672 18.379 -19.577 1.00 0.00 H new ATOM 936 N ARG A 63 9.070 14.613 -19.772 1.00 0.00 N ATOM 937 CA ARG A 63 7.962 13.940 -19.103 1.00 0.00 C ATOM 938 C ARG A 63 8.415 12.617 -18.502 1.00 0.00 C ATOM 939 O ARG A 63 9.359 12.000 -18.987 1.00 0.00 O ATOM 940 CB ARG A 63 6.798 13.697 -20.065 1.00 0.00 C ATOM 941 CG ARG A 63 7.138 12.798 -21.240 1.00 0.00 C ATOM 942 CD ARG A 63 5.882 12.194 -21.842 1.00 0.00 C ATOM 943 NE ARG A 63 5.206 11.307 -20.894 1.00 0.00 N ATOM 944 CZ ARG A 63 3.997 11.536 -20.383 1.00 0.00 C ATOM 945 NH1 ARG A 63 3.319 12.622 -20.727 1.00 0.00 N ATOM 946 NH2 ARG A 63 3.467 10.682 -19.516 1.00 0.00 N ATOM 0 H ARG A 63 9.664 14.002 -20.332 1.00 0.00 H new ATOM 0 HA ARG A 63 7.620 14.595 -18.302 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.970 13.254 -19.511 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.450 14.657 -20.446 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.671 13.371 -21.999 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.808 12.003 -20.913 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.203 12.991 -22.144 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.140 11.637 -22.742 1.00 0.00 H new ATOM 0 HE ARG A 63 5.692 10.458 -20.606 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.722 13.288 -21.386 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.394 12.792 -20.333 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.985 9.848 -19.240 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.541 10.860 -19.126 1.00 0.00 H new ATOM 960 N LEU A 64 7.736 12.190 -17.450 1.00 0.00 N ATOM 961 CA LEU A 64 8.063 10.941 -16.781 1.00 0.00 C ATOM 962 C LEU A 64 7.318 9.791 -17.454 1.00 0.00 C ATOM 963 O LEU A 64 6.104 9.860 -17.656 1.00 0.00 O ATOM 964 CB LEU A 64 7.687 11.036 -15.291 1.00 0.00 C ATOM 965 CG LEU A 64 8.450 10.109 -14.328 1.00 0.00 C ATOM 966 CD1 LEU A 64 8.085 8.649 -14.545 1.00 0.00 C ATOM 967 CD2 LEU A 64 9.951 10.304 -14.476 1.00 0.00 C ATOM 0 H LEU A 64 6.950 12.693 -17.039 1.00 0.00 H new ATOM 0 HA LEU A 64 9.134 10.754 -16.856 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.840 12.065 -14.966 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.622 10.826 -15.194 1.00 0.00 H new ATOM 0 HG LEU A 64 8.156 10.378 -13.314 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.644 8.026 -13.847 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.017 8.512 -14.378 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.332 8.360 -15.567 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.474 9.640 -13.787 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.249 10.073 -15.499 1.00 0.00 H new ATOM 0 HD23 LEU A 64 10.208 11.339 -14.248 1.00 0.00 H new ATOM 979 N GLY A 65 8.051 8.753 -17.826 1.00 0.00 N ATOM 980 CA GLY A 65 7.434 7.585 -18.419 1.00 0.00 C ATOM 981 C GLY A 65 7.566 6.368 -17.529 1.00 0.00 C ATOM 982 O GLY A 65 8.652 6.069 -17.043 1.00 0.00 O ATOM 0 H GLY A 65 9.065 8.698 -17.728 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.379 7.786 -18.606 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.896 7.381 -19.385 1.00 0.00 H new ATOM 986 N ARG A 66 6.465 5.684 -17.266 1.00 0.00 N ATOM 987 CA ARG A 66 6.524 4.489 -16.433 1.00 0.00 C ATOM 988 C ARG A 66 7.191 3.326 -17.158 1.00 0.00 C ATOM 989 O ARG A 66 7.846 2.492 -16.537 1.00 0.00 O ATOM 990 CB ARG A 66 5.138 4.072 -15.917 1.00 0.00 C ATOM 991 CG ARG A 66 4.121 3.769 -17.009 1.00 0.00 C ATOM 992 CD ARG A 66 2.852 3.154 -16.430 1.00 0.00 C ATOM 993 NE ARG A 66 2.239 4.010 -15.412 1.00 0.00 N ATOM 994 CZ ARG A 66 1.974 3.615 -14.165 1.00 0.00 C ATOM 995 NH1 ARG A 66 2.171 2.353 -13.799 1.00 0.00 N ATOM 996 NH2 ARG A 66 1.471 4.481 -13.298 1.00 0.00 N ATOM 0 H ARG A 66 5.535 5.927 -17.608 1.00 0.00 H new ATOM 0 HA ARG A 66 7.137 4.750 -15.570 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.249 3.189 -15.287 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.746 4.868 -15.284 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.872 4.687 -17.542 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.559 3.086 -17.737 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.136 2.977 -17.233 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.087 2.183 -15.993 1.00 0.00 H new ATOM 0 HE ARG A 66 2.000 4.967 -15.672 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.528 1.676 -14.473 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.965 2.061 -12.844 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.289 5.443 -13.585 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.266 4.186 -12.343 1.00 0.00 H new ATOM 1010 N GLU A 67 7.034 3.288 -18.476 1.00 0.00 N ATOM 1011 CA GLU A 67 7.569 2.200 -19.289 1.00 0.00 C ATOM 1012 C GLU A 67 9.090 2.164 -19.213 1.00 0.00 C ATOM 1013 O GLU A 67 9.718 1.134 -19.448 1.00 0.00 O ATOM 1014 CB GLU A 67 7.093 2.342 -20.728 1.00 0.00 C ATOM 1015 CG GLU A 67 5.580 2.318 -20.839 1.00 0.00 C ATOM 1016 CD GLU A 67 5.090 2.429 -22.262 1.00 0.00 C ATOM 1017 OE1 GLU A 67 5.191 1.431 -23.004 1.00 0.00 O ATOM 1018 OE2 GLU A 67 4.582 3.505 -22.636 1.00 0.00 O ATOM 0 H GLU A 67 6.537 4.003 -19.008 1.00 0.00 H new ATOM 0 HA GLU A 67 7.198 1.253 -18.896 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.471 3.277 -21.143 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.512 1.534 -21.328 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.204 1.393 -20.403 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.165 3.138 -20.253 1.00 0.00 H new ATOM 1025 N GLN A 68 9.662 3.304 -18.871 1.00 0.00 N ATOM 1026 CA GLN A 68 11.100 3.433 -18.692 1.00 0.00 C ATOM 1027 C GLN A 68 11.541 2.548 -17.528 1.00 0.00 C ATOM 1028 O GLN A 68 12.550 1.849 -17.599 1.00 0.00 O ATOM 1029 CB GLN A 68 11.468 4.889 -18.392 1.00 0.00 C ATOM 1030 CG GLN A 68 10.608 5.916 -19.124 1.00 0.00 C ATOM 1031 CD GLN A 68 10.807 5.928 -20.630 1.00 0.00 C ATOM 1032 OE1 GLN A 68 9.868 6.193 -21.383 1.00 0.00 O ATOM 1033 NE2 GLN A 68 12.023 5.673 -21.080 1.00 0.00 N ATOM 0 H GLN A 68 9.144 4.168 -18.709 1.00 0.00 H new ATOM 0 HA GLN A 68 11.604 3.123 -19.608 1.00 0.00 H new ATOM 0 HB2 GLN A 68 11.383 5.060 -17.319 1.00 0.00 H new ATOM 0 HB3 GLN A 68 12.512 5.050 -18.659 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.559 5.716 -18.908 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.831 6.908 -18.731 1.00 0.00 H new ATOM 0 HE21 GLN A 68 12.775 5.458 -20.425 1.00 0.00 H new ATOM 0 HE22 GLN A 68 12.210 5.692 -22.083 1.00 0.00 H new ATOM 1042 N LEU A 69 10.745 2.574 -16.464 1.00 0.00 N ATOM 1043 CA LEU A 69 11.006 1.773 -15.277 1.00 0.00 C ATOM 1044 C LEU A 69 10.700 0.303 -15.542 1.00 0.00 C ATOM 1045 O LEU A 69 11.304 -0.582 -14.939 1.00 0.00 O ATOM 1046 CB LEU A 69 10.171 2.280 -14.100 1.00 0.00 C ATOM 1047 CG LEU A 69 10.527 3.684 -13.603 1.00 0.00 C ATOM 1048 CD1 LEU A 69 9.505 4.168 -12.586 1.00 0.00 C ATOM 1049 CD2 LEU A 69 11.920 3.694 -12.993 1.00 0.00 C ATOM 0 H LEU A 69 9.905 3.149 -16.402 1.00 0.00 H new ATOM 0 HA LEU A 69 12.063 1.867 -15.026 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.120 2.271 -14.390 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.279 1.581 -13.271 1.00 0.00 H new ATOM 0 HG LEU A 69 10.514 4.362 -14.456 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.776 5.167 -12.245 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.518 4.197 -13.048 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.488 3.487 -11.735 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.158 4.699 -12.645 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.954 3.001 -12.152 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.648 3.389 -13.744 1.00 0.00 H new ATOM 1061 N GLN A 70 9.763 0.050 -16.454 1.00 0.00 N ATOM 1062 CA GLN A 70 9.415 -1.317 -16.833 1.00 0.00 C ATOM 1063 C GLN A 70 10.622 -2.018 -17.455 1.00 0.00 C ATOM 1064 O GLN A 70 10.745 -3.238 -17.398 1.00 0.00 O ATOM 1065 CB GLN A 70 8.247 -1.336 -17.825 1.00 0.00 C ATOM 1066 CG GLN A 70 7.023 -0.552 -17.371 1.00 0.00 C ATOM 1067 CD GLN A 70 6.384 -1.082 -16.100 1.00 0.00 C ATOM 1068 OE1 GLN A 70 5.802 -0.321 -15.331 1.00 0.00 O ATOM 1069 NE2 GLN A 70 6.458 -2.386 -15.879 1.00 0.00 N ATOM 0 H GLN A 70 9.233 0.772 -16.943 1.00 0.00 H new ATOM 0 HA GLN A 70 9.113 -1.846 -15.929 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.589 -0.932 -18.778 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.955 -2.371 -18.004 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.308 0.488 -17.215 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.281 -0.563 -18.170 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.950 -2.988 -16.539 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.023 -2.788 -15.048 1.00 0.00 H new ATOM 1078 N ILE A 71 11.499 -1.236 -18.070 1.00 0.00 N ATOM 1079 CA ILE A 71 12.742 -1.765 -18.615 1.00 0.00 C ATOM 1080 C ILE A 71 13.743 -2.048 -17.493 1.00 0.00 C ATOM 1081 O ILE A 71 14.455 -3.050 -17.513 1.00 0.00 O ATOM 1082 CB ILE A 71 13.369 -0.785 -19.634 1.00 0.00 C ATOM 1083 CG1 ILE A 71 12.372 -0.482 -20.758 1.00 0.00 C ATOM 1084 CG2 ILE A 71 14.661 -1.357 -20.206 1.00 0.00 C ATOM 1085 CD1 ILE A 71 12.878 0.522 -21.771 1.00 0.00 C ATOM 0 H ILE A 71 11.373 -0.233 -18.204 1.00 0.00 H new ATOM 0 HA ILE A 71 12.505 -2.696 -19.130 1.00 0.00 H new ATOM 0 HB ILE A 71 13.608 0.145 -19.118 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.126 -1.411 -21.273 1.00 0.00 H new ATOM 0 HG13 ILE A 71 11.448 -0.107 -20.319 1.00 0.00 H new ATOM 0 HG21 ILE A 71 15.086 -0.652 -20.921 1.00 0.00 H new ATOM 0 HG22 ILE A 71 15.372 -1.528 -19.398 1.00 0.00 H new ATOM 0 HG23 ILE A 71 14.450 -2.301 -20.709 1.00 0.00 H new ATOM 0 HD11 ILE A 71 12.117 0.684 -22.534 1.00 0.00 H new ATOM 0 HD12 ILE A 71 13.096 1.465 -21.270 1.00 0.00 H new ATOM 0 HD13 ILE A 71 13.786 0.141 -22.239 1.00 0.00 H new ATOM 1097 N LEU A 72 13.761 -1.169 -16.499 1.00 0.00 N ATOM 1098 CA LEU A 72 14.739 -1.239 -15.416 1.00 0.00 C ATOM 1099 C LEU A 72 14.457 -2.401 -14.462 1.00 0.00 C ATOM 1100 O LEU A 72 15.368 -2.908 -13.799 1.00 0.00 O ATOM 1101 CB LEU A 72 14.760 0.081 -14.643 1.00 0.00 C ATOM 1102 CG LEU A 72 15.158 1.310 -15.466 1.00 0.00 C ATOM 1103 CD1 LEU A 72 15.108 2.563 -14.608 1.00 0.00 C ATOM 1104 CD2 LEU A 72 16.545 1.129 -16.064 1.00 0.00 C ATOM 0 H LEU A 72 13.104 -0.393 -16.419 1.00 0.00 H new ATOM 0 HA LEU A 72 15.716 -1.415 -15.867 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.770 0.252 -14.219 1.00 0.00 H new ATOM 0 HB3 LEU A 72 15.452 -0.017 -13.807 1.00 0.00 H new ATOM 0 HG LEU A 72 14.445 1.421 -16.283 1.00 0.00 H new ATOM 0 HD11 LEU A 72 15.394 3.427 -15.208 1.00 0.00 H new ATOM 0 HD12 LEU A 72 14.096 2.704 -14.228 1.00 0.00 H new ATOM 0 HD13 LEU A 72 15.798 2.459 -13.771 1.00 0.00 H new ATOM 0 HD21 LEU A 72 16.809 2.013 -16.645 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.271 0.991 -15.263 1.00 0.00 H new ATOM 0 HD23 LEU A 72 16.550 0.253 -16.713 1.00 0.00 H new ATOM 1116 N LEU A 73 13.199 -2.827 -14.389 1.00 0.00 N ATOM 1117 CA LEU A 73 12.830 -3.940 -13.519 1.00 0.00 C ATOM 1118 C LEU A 73 13.492 -5.237 -13.975 1.00 0.00 C ATOM 1119 O LEU A 73 13.629 -6.170 -13.193 1.00 0.00 O ATOM 1120 CB LEU A 73 11.301 -4.091 -13.386 1.00 0.00 C ATOM 1121 CG LEU A 73 10.502 -4.340 -14.671 1.00 0.00 C ATOM 1122 CD1 LEU A 73 10.613 -5.788 -15.129 1.00 0.00 C ATOM 1123 CD2 LEU A 73 9.043 -3.968 -14.452 1.00 0.00 C ATOM 0 H LEU A 73 12.425 -2.423 -14.916 1.00 0.00 H new ATOM 0 HA LEU A 73 13.206 -3.711 -12.522 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.102 -4.915 -12.701 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.913 -3.186 -12.918 1.00 0.00 H new ATOM 0 HG LEU A 73 10.923 -3.713 -15.457 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.034 -5.926 -16.042 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.658 -6.029 -15.322 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.226 -6.446 -14.351 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.480 -4.147 -15.368 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.629 -4.576 -13.648 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.973 -2.914 -14.183 1.00 0.00 H new ATOM 1135 N GLU A 74 13.874 -5.301 -15.253 1.00 0.00 N ATOM 1136 CA GLU A 74 14.592 -6.457 -15.792 1.00 0.00 C ATOM 1137 C GLU A 74 15.834 -6.768 -14.959 1.00 0.00 C ATOM 1138 O GLU A 74 16.179 -7.933 -14.747 1.00 0.00 O ATOM 1139 CB GLU A 74 15.003 -6.200 -17.243 1.00 0.00 C ATOM 1140 CG GLU A 74 13.847 -6.247 -18.225 1.00 0.00 C ATOM 1141 CD GLU A 74 13.287 -7.643 -18.389 1.00 0.00 C ATOM 1142 OE1 GLU A 74 13.820 -8.406 -19.227 1.00 0.00 O ATOM 1143 OE2 GLU A 74 12.317 -7.985 -17.690 1.00 0.00 O ATOM 0 H GLU A 74 13.697 -4.563 -15.935 1.00 0.00 H new ATOM 0 HA GLU A 74 13.920 -7.314 -15.752 1.00 0.00 H new ATOM 0 HB2 GLU A 74 15.483 -5.223 -17.307 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.747 -6.940 -17.537 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.056 -5.579 -17.884 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.181 -5.876 -19.194 1.00 0.00 H new ATOM 1150 N GLN A 75 16.503 -5.722 -14.491 1.00 0.00 N ATOM 1151 CA GLN A 75 17.692 -5.883 -13.668 1.00 0.00 C ATOM 1152 C GLN A 75 17.313 -6.120 -12.206 1.00 0.00 C ATOM 1153 O GLN A 75 18.018 -6.827 -11.486 1.00 0.00 O ATOM 1154 CB GLN A 75 18.605 -4.656 -13.774 1.00 0.00 C ATOM 1155 CG GLN A 75 19.306 -4.497 -15.119 1.00 0.00 C ATOM 1156 CD GLN A 75 18.374 -4.079 -16.241 1.00 0.00 C ATOM 1157 OE1 GLN A 75 17.370 -3.410 -16.014 1.00 0.00 O ATOM 1158 NE2 GLN A 75 18.710 -4.463 -17.462 1.00 0.00 N ATOM 0 H GLN A 75 16.241 -4.752 -14.668 1.00 0.00 H new ATOM 0 HA GLN A 75 18.233 -6.754 -14.038 1.00 0.00 H new ATOM 0 HB2 GLN A 75 18.013 -3.762 -13.581 1.00 0.00 H new ATOM 0 HB3 GLN A 75 19.361 -4.714 -12.991 1.00 0.00 H new ATOM 0 HG2 GLN A 75 20.099 -3.756 -15.021 1.00 0.00 H new ATOM 0 HG3 GLN A 75 19.782 -5.441 -15.385 1.00 0.00 H new ATOM 0 HE21 GLN A 75 19.553 -5.018 -17.608 1.00 0.00 H new ATOM 0 HE22 GLN A 75 18.126 -4.204 -18.257 1.00 0.00 H new ATOM 1167 N ASN A 76 16.205 -5.504 -11.784 1.00 0.00 N ATOM 1168 CA ASN A 76 15.662 -5.644 -10.419 1.00 0.00 C ATOM 1169 C ASN A 76 16.525 -4.945 -9.373 1.00 0.00 C ATOM 1170 O ASN A 76 16.217 -4.987 -8.181 1.00 0.00 O ATOM 1171 CB ASN A 76 15.472 -7.116 -10.016 1.00 0.00 C ATOM 1172 CG ASN A 76 14.264 -7.759 -10.667 1.00 0.00 C ATOM 1173 OD1 ASN A 76 13.142 -7.650 -10.165 1.00 0.00 O ATOM 1174 ND2 ASN A 76 14.484 -8.456 -11.768 1.00 0.00 N ATOM 0 H ASN A 76 15.652 -4.889 -12.380 1.00 0.00 H new ATOM 0 HA ASN A 76 14.687 -5.158 -10.446 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.366 -7.679 -10.286 1.00 0.00 H new ATOM 0 HB3 ASN A 76 15.371 -7.180 -8.933 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.710 -8.929 -12.235 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.427 -8.521 -12.151 1.00 0.00 H new ATOM 1181 N ILE A 77 17.586 -4.286 -9.807 1.00 0.00 N ATOM 1182 CA ILE A 77 18.488 -3.624 -8.879 1.00 0.00 C ATOM 1183 C ILE A 77 18.073 -2.178 -8.627 1.00 0.00 C ATOM 1184 O ILE A 77 18.828 -1.239 -8.879 1.00 0.00 O ATOM 1185 CB ILE A 77 19.966 -3.704 -9.338 1.00 0.00 C ATOM 1186 CG1 ILE A 77 20.105 -3.609 -10.865 1.00 0.00 C ATOM 1187 CG2 ILE A 77 20.590 -4.995 -8.838 1.00 0.00 C ATOM 1188 CD1 ILE A 77 19.883 -2.225 -11.434 1.00 0.00 C ATOM 0 H ILE A 77 17.843 -4.195 -10.790 1.00 0.00 H new ATOM 0 HA ILE A 77 18.413 -4.165 -7.936 1.00 0.00 H new ATOM 0 HB ILE A 77 20.491 -2.850 -8.911 1.00 0.00 H new ATOM 0 HG12 ILE A 77 21.102 -3.948 -11.147 1.00 0.00 H new ATOM 0 HG13 ILE A 77 19.393 -4.295 -11.325 1.00 0.00 H new ATOM 0 HG21 ILE A 77 21.629 -5.047 -9.163 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.549 -5.021 -7.749 1.00 0.00 H new ATOM 0 HG23 ILE A 77 20.041 -5.845 -9.242 1.00 0.00 H new ATOM 0 HD11 ILE A 77 20.001 -2.254 -12.517 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.876 -1.887 -11.188 1.00 0.00 H new ATOM 0 HD13 ILE A 77 20.611 -1.535 -11.008 1.00 0.00 H new ATOM 1200 N ASN A 78 16.865 -2.013 -8.102 1.00 0.00 N ATOM 1201 CA ASN A 78 16.330 -0.690 -7.783 1.00 0.00 C ATOM 1202 C ASN A 78 17.228 -0.004 -6.765 1.00 0.00 C ATOM 1203 O ASN A 78 17.309 1.221 -6.705 1.00 0.00 O ATOM 1204 CB ASN A 78 14.912 -0.793 -7.212 1.00 0.00 C ATOM 1205 CG ASN A 78 13.972 -1.619 -8.069 1.00 0.00 C ATOM 1206 OD1 ASN A 78 14.118 -1.693 -9.288 1.00 0.00 O ATOM 1207 ND2 ASN A 78 13.001 -2.250 -7.427 1.00 0.00 N ATOM 0 H ASN A 78 16.232 -2.783 -7.886 1.00 0.00 H new ATOM 0 HA ASN A 78 16.296 -0.108 -8.704 1.00 0.00 H new ATOM 0 HB2 ASN A 78 14.961 -1.231 -6.215 1.00 0.00 H new ATOM 0 HB3 ASN A 78 14.501 0.210 -7.099 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.337 -2.825 -7.945 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.917 -2.161 -6.414 1.00 0.00 H new ATOM 1214 N GLU A 79 17.895 -0.820 -5.964 1.00 0.00 N ATOM 1215 CA GLU A 79 18.820 -0.347 -4.945 1.00 0.00 C ATOM 1216 C GLU A 79 20.044 0.294 -5.593 1.00 0.00 C ATOM 1217 O GLU A 79 20.578 1.285 -5.102 1.00 0.00 O ATOM 1218 CB GLU A 79 19.262 -1.514 -4.052 1.00 0.00 C ATOM 1219 CG GLU A 79 18.136 -2.184 -3.267 1.00 0.00 C ATOM 1220 CD GLU A 79 17.053 -2.781 -4.148 1.00 0.00 C ATOM 1221 OE1 GLU A 79 17.392 -3.501 -5.113 1.00 0.00 O ATOM 1222 OE2 GLU A 79 15.859 -2.519 -3.887 1.00 0.00 O ATOM 0 H GLU A 79 17.810 -1.836 -6.003 1.00 0.00 H new ATOM 0 HA GLU A 79 18.310 0.400 -4.336 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.748 -2.265 -4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 79 20.010 -1.151 -3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 79 18.558 -2.970 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 79 17.685 -1.451 -2.597 1.00 0.00 H new ATOM 1229 N ARG A 80 20.465 -0.282 -6.711 1.00 0.00 N ATOM 1230 CA ARG A 80 21.642 0.187 -7.430 1.00 0.00 C ATOM 1231 C ARG A 80 21.300 1.434 -8.231 1.00 0.00 C ATOM 1232 O ARG A 80 22.059 2.402 -8.264 1.00 0.00 O ATOM 1233 CB ARG A 80 22.135 -0.914 -8.366 1.00 0.00 C ATOM 1234 CG ARG A 80 23.538 -0.694 -8.908 1.00 0.00 C ATOM 1235 CD ARG A 80 24.009 -1.892 -9.720 1.00 0.00 C ATOM 1236 NE ARG A 80 23.983 -3.126 -8.933 1.00 0.00 N ATOM 1237 CZ ARG A 80 24.395 -4.312 -9.376 1.00 0.00 C ATOM 1238 NH1 ARG A 80 24.856 -4.443 -10.614 1.00 0.00 N ATOM 1239 NH2 ARG A 80 24.338 -5.370 -8.576 1.00 0.00 N ATOM 0 H ARG A 80 20.004 -1.083 -7.143 1.00 0.00 H new ATOM 0 HA ARG A 80 22.427 0.434 -6.715 1.00 0.00 H new ATOM 0 HB2 ARG A 80 22.109 -1.865 -7.834 1.00 0.00 H new ATOM 0 HB3 ARG A 80 21.444 -0.998 -9.204 1.00 0.00 H new ATOM 0 HG2 ARG A 80 23.554 0.200 -9.531 1.00 0.00 H new ATOM 0 HG3 ARG A 80 24.227 -0.518 -8.081 1.00 0.00 H new ATOM 0 HD2 ARG A 80 23.374 -2.008 -10.599 1.00 0.00 H new ATOM 0 HD3 ARG A 80 25.022 -1.712 -10.080 1.00 0.00 H new ATOM 0 HE ARG A 80 23.625 -3.074 -7.980 1.00 0.00 H new ATOM 0 HH11 ARG A 80 24.896 -3.632 -11.232 1.00 0.00 H new ATOM 0 HH12 ARG A 80 25.170 -5.354 -10.947 1.00 0.00 H new ATOM 0 HH21 ARG A 80 23.980 -5.272 -7.626 1.00 0.00 H new ATOM 0 HH22 ARG A 80 24.653 -6.280 -8.911 1.00 0.00 H new ATOM 1253 N LEU A 81 20.142 1.386 -8.873 1.00 0.00 N ATOM 1254 CA LEU A 81 19.626 2.514 -9.645 1.00 0.00 C ATOM 1255 C LEU A 81 19.238 3.673 -8.728 1.00 0.00 C ATOM 1256 O LEU A 81 19.134 4.819 -9.169 1.00 0.00 O ATOM 1257 CB LEU A 81 18.402 2.075 -10.449 1.00 0.00 C ATOM 1258 CG LEU A 81 18.663 1.016 -11.517 1.00 0.00 C ATOM 1259 CD1 LEU A 81 17.350 0.509 -12.090 1.00 0.00 C ATOM 1260 CD2 LEU A 81 19.538 1.582 -12.620 1.00 0.00 C ATOM 0 H LEU A 81 19.533 0.568 -8.876 1.00 0.00 H new ATOM 0 HA LEU A 81 20.412 2.851 -10.321 1.00 0.00 H new ATOM 0 HB2 LEU A 81 17.653 1.691 -9.757 1.00 0.00 H new ATOM 0 HB3 LEU A 81 17.971 2.953 -10.930 1.00 0.00 H new ATOM 0 HG LEU A 81 19.186 0.179 -11.055 1.00 0.00 H new ATOM 0 HD11 LEU A 81 17.552 -0.246 -12.850 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.751 0.069 -11.293 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.804 1.339 -12.539 1.00 0.00 H new ATOM 0 HD21 LEU A 81 19.715 0.815 -13.374 1.00 0.00 H new ATOM 0 HD22 LEU A 81 19.038 2.434 -13.080 1.00 0.00 H new ATOM 0 HD23 LEU A 81 20.491 1.904 -12.200 1.00 0.00 H new ATOM 1272 N ASN A 82 19.012 3.343 -7.453 1.00 0.00 N ATOM 1273 CA ASN A 82 18.603 4.315 -6.433 1.00 0.00 C ATOM 1274 C ASN A 82 17.183 4.807 -6.673 1.00 0.00 C ATOM 1275 O ASN A 82 16.802 5.883 -6.212 1.00 0.00 O ATOM 1276 CB ASN A 82 19.577 5.496 -6.360 1.00 0.00 C ATOM 1277 CG ASN A 82 20.850 5.153 -5.611 1.00 0.00 C ATOM 1278 OD1 ASN A 82 21.930 5.619 -5.959 1.00 0.00 O ATOM 1279 ND2 ASN A 82 20.730 4.361 -4.556 1.00 0.00 N ATOM 0 H ASN A 82 19.108 2.392 -7.098 1.00 0.00 H new ATOM 0 HA ASN A 82 18.625 3.800 -5.472 1.00 0.00 H new ATOM 0 HB2 ASN A 82 19.829 5.818 -7.370 1.00 0.00 H new ATOM 0 HB3 ASN A 82 19.087 6.337 -5.871 1.00 0.00 H new ATOM 0 HD21 ASN A 82 21.552 4.120 -4.003 1.00 0.00 H new ATOM 0 HD22 ASN A 82 19.815 3.992 -4.297 1.00 0.00 H new ATOM 1286 N ILE A 83 16.395 3.996 -7.376 1.00 0.00 N ATOM 1287 CA ILE A 83 14.985 4.293 -7.590 1.00 0.00 C ATOM 1288 C ILE A 83 14.270 4.402 -6.241 1.00 0.00 C ATOM 1289 O ILE A 83 14.357 3.502 -5.403 1.00 0.00 O ATOM 1290 CB ILE A 83 14.311 3.233 -8.510 1.00 0.00 C ATOM 1291 CG1 ILE A 83 14.266 3.729 -9.960 1.00 0.00 C ATOM 1292 CG2 ILE A 83 12.907 2.881 -8.043 1.00 0.00 C ATOM 1293 CD1 ILE A 83 15.624 3.993 -10.570 1.00 0.00 C ATOM 0 H ILE A 83 16.712 3.127 -7.807 1.00 0.00 H new ATOM 0 HA ILE A 83 14.905 5.250 -8.105 1.00 0.00 H new ATOM 0 HB ILE A 83 14.918 2.330 -8.454 1.00 0.00 H new ATOM 0 HG12 ILE A 83 13.745 2.990 -10.568 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.678 4.646 -10.000 1.00 0.00 H new ATOM 0 HG21 ILE A 83 12.476 2.138 -8.714 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.951 2.475 -7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.287 3.777 -8.047 1.00 0.00 H new ATOM 0 HD11 ILE A 83 15.501 4.340 -11.596 1.00 0.00 H new ATOM 0 HD12 ILE A 83 16.142 4.756 -9.989 1.00 0.00 H new ATOM 0 HD13 ILE A 83 16.210 3.074 -10.566 1.00 0.00 H new ATOM 1305 N GLY A 84 13.590 5.522 -6.039 1.00 0.00 N ATOM 1306 CA GLY A 84 13.022 5.833 -4.744 1.00 0.00 C ATOM 1307 C GLY A 84 11.680 5.179 -4.490 1.00 0.00 C ATOM 1308 O GLY A 84 11.120 4.518 -5.360 1.00 0.00 O ATOM 0 H GLY A 84 13.421 6.227 -6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.720 5.521 -3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.911 6.914 -4.657 1.00 0.00 H new ATOM 1312 N GLU A 85 11.158 5.395 -3.292 1.00 0.00 N ATOM 1313 CA GLU A 85 9.862 4.861 -2.894 1.00 0.00 C ATOM 1314 C GLU A 85 8.729 5.427 -3.756 1.00 0.00 C ATOM 1315 O GLU A 85 7.892 4.668 -4.239 1.00 0.00 O ATOM 1316 CB GLU A 85 9.590 5.151 -1.421 1.00 0.00 C ATOM 1317 CG GLU A 85 10.587 4.507 -0.477 1.00 0.00 C ATOM 1318 CD GLU A 85 10.177 4.649 0.969 1.00 0.00 C ATOM 1319 OE1 GLU A 85 9.397 3.799 1.452 1.00 0.00 O ATOM 1320 OE2 GLU A 85 10.628 5.613 1.623 1.00 0.00 O ATOM 0 H GLU A 85 11.620 5.945 -2.568 1.00 0.00 H new ATOM 0 HA GLU A 85 9.895 3.782 -3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.600 6.230 -1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 85 8.588 4.802 -1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.687 3.450 -0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.567 4.961 -0.621 1.00 0.00 H new ATOM 1327 N PRO A 86 8.671 6.766 -3.965 1.00 0.00 N ATOM 1328 CA PRO A 86 7.696 7.372 -4.882 1.00 0.00 C ATOM 1329 C PRO A 86 7.811 6.796 -6.292 1.00 0.00 C ATOM 1330 O PRO A 86 6.868 6.835 -7.076 1.00 0.00 O ATOM 1331 CB PRO A 86 8.061 8.862 -4.882 1.00 0.00 C ATOM 1332 CG PRO A 86 9.418 8.942 -4.274 1.00 0.00 C ATOM 1333 CD PRO A 86 9.503 7.795 -3.317 1.00 0.00 C ATOM 0 HA PRO A 86 6.670 7.181 -4.568 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.061 9.266 -5.895 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.339 9.442 -4.307 1.00 0.00 H new ATOM 0 HG2 PRO A 86 10.193 8.873 -5.037 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.561 9.892 -3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 86 10.530 7.457 -3.181 1.00 0.00 H new ATOM 0 HD3 PRO A 86 9.122 8.062 -2.331 1.00 0.00 H new ATOM 1341 N LEU A 87 8.974 6.243 -6.592 1.00 0.00 N ATOM 1342 CA LEU A 87 9.231 5.634 -7.884 1.00 0.00 C ATOM 1343 C LEU A 87 8.609 4.237 -7.939 1.00 0.00 C ATOM 1344 O LEU A 87 8.122 3.802 -8.981 1.00 0.00 O ATOM 1345 CB LEU A 87 10.743 5.571 -8.140 1.00 0.00 C ATOM 1346 CG LEU A 87 11.413 6.876 -8.600 1.00 0.00 C ATOM 1347 CD1 LEU A 87 10.928 7.266 -9.985 1.00 0.00 C ATOM 1348 CD2 LEU A 87 11.162 8.010 -7.617 1.00 0.00 C ATOM 0 H LEU A 87 9.764 6.204 -5.948 1.00 0.00 H new ATOM 0 HA LEU A 87 8.775 6.241 -8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.231 5.241 -7.223 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.930 4.806 -8.894 1.00 0.00 H new ATOM 0 HG LEU A 87 12.488 6.697 -8.639 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.413 8.192 -10.293 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.174 6.474 -10.693 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.848 7.412 -9.965 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.650 8.916 -7.975 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.090 8.186 -7.530 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.566 7.741 -6.641 1.00 0.00 H new ATOM 1360 N LEU A 88 8.616 3.545 -6.801 1.00 0.00 N ATOM 1361 CA LEU A 88 7.965 2.240 -6.690 1.00 0.00 C ATOM 1362 C LEU A 88 6.449 2.392 -6.741 1.00 0.00 C ATOM 1363 O LEU A 88 5.761 1.630 -7.423 1.00 0.00 O ATOM 1364 CB LEU A 88 8.358 1.529 -5.386 1.00 0.00 C ATOM 1365 CG LEU A 88 9.597 0.628 -5.455 1.00 0.00 C ATOM 1366 CD1 LEU A 88 10.850 1.439 -5.721 1.00 0.00 C ATOM 1367 CD2 LEU A 88 9.743 -0.167 -4.167 1.00 0.00 C ATOM 0 H LEU A 88 9.065 3.866 -5.943 1.00 0.00 H new ATOM 0 HA LEU A 88 8.300 1.636 -7.534 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.527 2.286 -4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.513 0.925 -5.057 1.00 0.00 H new ATOM 0 HG LEU A 88 9.464 -0.066 -6.285 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.712 0.773 -5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.749 1.964 -6.671 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.991 2.164 -4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.626 -0.802 -4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.848 0.519 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.859 -0.788 -4.021 1.00 0.00 H new ATOM 1379 N VAL A 89 5.934 3.388 -6.029 1.00 0.00 N ATOM 1380 CA VAL A 89 4.496 3.609 -5.962 1.00 0.00 C ATOM 1381 C VAL A 89 3.959 4.062 -7.315 1.00 0.00 C ATOM 1382 O VAL A 89 2.820 3.761 -7.667 1.00 0.00 O ATOM 1383 CB VAL A 89 4.094 4.614 -4.856 1.00 0.00 C ATOM 1384 CG1 VAL A 89 4.709 4.209 -3.528 1.00 0.00 C ATOM 1385 CG2 VAL A 89 4.480 6.041 -5.214 1.00 0.00 C ATOM 0 H VAL A 89 6.490 4.053 -5.492 1.00 0.00 H new ATOM 0 HA VAL A 89 4.044 2.653 -5.699 1.00 0.00 H new ATOM 0 HB VAL A 89 3.008 4.588 -4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.418 4.925 -2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.356 3.216 -3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.795 4.196 -3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.179 6.712 -4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.559 6.102 -5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.979 6.333 -6.137 1.00 0.00 H new ATOM 1395 N TYR A 90 4.786 4.787 -8.066 1.00 0.00 N ATOM 1396 CA TYR A 90 4.423 5.221 -9.409 1.00 0.00 C ATOM 1397 C TYR A 90 4.129 4.014 -10.299 1.00 0.00 C ATOM 1398 O TYR A 90 3.224 4.049 -11.132 1.00 0.00 O ATOM 1399 CB TYR A 90 5.547 6.063 -10.019 1.00 0.00 C ATOM 1400 CG TYR A 90 5.191 6.661 -11.361 1.00 0.00 C ATOM 1401 CD1 TYR A 90 4.364 7.772 -11.446 1.00 0.00 C ATOM 1402 CD2 TYR A 90 5.678 6.113 -12.540 1.00 0.00 C ATOM 1403 CE1 TYR A 90 4.030 8.320 -12.667 1.00 0.00 C ATOM 1404 CE2 TYR A 90 5.348 6.658 -13.765 1.00 0.00 C ATOM 1405 CZ TYR A 90 4.525 7.760 -13.824 1.00 0.00 C ATOM 1406 OH TYR A 90 4.191 8.301 -15.045 1.00 0.00 O ATOM 0 H TYR A 90 5.713 5.086 -7.764 1.00 0.00 H new ATOM 0 HA TYR A 90 3.523 5.833 -9.342 1.00 0.00 H new ATOM 0 HB2 TYR A 90 5.804 6.866 -9.329 1.00 0.00 H new ATOM 0 HB3 TYR A 90 6.436 5.442 -10.131 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.975 8.215 -10.541 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.324 5.248 -12.498 1.00 0.00 H new ATOM 0 HE1 TYR A 90 3.384 9.184 -12.716 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.734 6.221 -14.674 1.00 0.00 H new ATOM 0 HH TYR A 90 3.281 8.029 -15.285 1.00 0.00 H new ATOM 1416 N LEU A 91 4.893 2.942 -10.108 1.00 0.00 N ATOM 1417 CA LEU A 91 4.676 1.706 -10.849 1.00 0.00 C ATOM 1418 C LEU A 91 3.353 1.071 -10.445 1.00 0.00 C ATOM 1419 O LEU A 91 2.672 0.451 -11.265 1.00 0.00 O ATOM 1420 CB LEU A 91 5.825 0.725 -10.612 1.00 0.00 C ATOM 1421 CG LEU A 91 7.175 1.168 -11.173 1.00 0.00 C ATOM 1422 CD1 LEU A 91 8.252 0.145 -10.846 1.00 0.00 C ATOM 1423 CD2 LEU A 91 7.077 1.378 -12.676 1.00 0.00 C ATOM 0 H LEU A 91 5.668 2.906 -9.446 1.00 0.00 H new ATOM 0 HA LEU A 91 4.641 1.947 -11.911 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.929 0.563 -9.539 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.561 -0.235 -11.055 1.00 0.00 H new ATOM 0 HG LEU A 91 7.451 2.114 -10.707 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.206 0.478 -11.254 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.337 0.039 -9.764 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.986 -0.817 -11.285 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.046 1.694 -13.063 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.781 0.445 -13.155 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.334 2.146 -12.888 1.00 0.00 H new ATOM 1435 N ARG A 92 2.997 1.231 -9.177 1.00 0.00 N ATOM 1436 CA ARG A 92 1.717 0.757 -8.667 1.00 0.00 C ATOM 1437 C ARG A 92 0.578 1.504 -9.352 1.00 0.00 C ATOM 1438 O ARG A 92 -0.274 0.900 -10.005 1.00 0.00 O ATOM 1439 CB ARG A 92 1.642 0.968 -7.151 1.00 0.00 C ATOM 1440 CG ARG A 92 2.684 0.188 -6.367 1.00 0.00 C ATOM 1441 CD ARG A 92 2.270 -1.261 -6.173 1.00 0.00 C ATOM 1442 NE ARG A 92 1.105 -1.375 -5.295 1.00 0.00 N ATOM 1443 CZ ARG A 92 0.596 -2.529 -4.873 1.00 0.00 C ATOM 1444 NH1 ARG A 92 1.110 -3.684 -5.276 1.00 0.00 N ATOM 1445 NH2 ARG A 92 -0.444 -2.527 -4.050 1.00 0.00 N ATOM 0 H ARG A 92 3.582 1.689 -8.478 1.00 0.00 H new ATOM 0 HA ARG A 92 1.625 -0.308 -8.879 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.760 2.030 -6.936 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.650 0.681 -6.803 1.00 0.00 H new ATOM 0 HG2 ARG A 92 3.639 0.227 -6.891 1.00 0.00 H new ATOM 0 HG3 ARG A 92 2.835 0.657 -5.395 1.00 0.00 H new ATOM 0 HD2 ARG A 92 2.042 -1.708 -7.141 1.00 0.00 H new ATOM 0 HD3 ARG A 92 3.102 -1.824 -5.750 1.00 0.00 H new ATOM 0 HE ARG A 92 0.654 -0.514 -4.987 1.00 0.00 H new ATOM 0 HH11 ARG A 92 1.904 -3.693 -5.916 1.00 0.00 H new ATOM 0 HH12 ARG A 92 0.711 -4.563 -4.946 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.850 -1.643 -3.743 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -0.838 -3.410 -3.724 1.00 0.00 H new ATOM 1459 N ARG A 93 0.588 2.824 -9.214 1.00 0.00 N ATOM 1460 CA ARG A 93 -0.425 3.675 -9.817 1.00 0.00 C ATOM 1461 C ARG A 93 0.098 5.104 -9.869 1.00 0.00 C ATOM 1462 O ARG A 93 1.176 5.382 -9.350 1.00 0.00 O ATOM 1463 CB ARG A 93 -1.719 3.615 -8.998 1.00 0.00 C ATOM 1464 CG ARG A 93 -2.979 3.648 -9.845 1.00 0.00 C ATOM 1465 CD ARG A 93 -3.060 2.431 -10.752 1.00 0.00 C ATOM 1466 NE ARG A 93 -4.283 2.410 -11.550 1.00 0.00 N ATOM 1467 CZ ARG A 93 -4.506 1.543 -12.536 1.00 0.00 C ATOM 1468 NH1 ARG A 93 -3.577 0.654 -12.868 1.00 0.00 N ATOM 1469 NH2 ARG A 93 -5.655 1.567 -13.194 1.00 0.00 N ATOM 0 H ARG A 93 1.296 3.331 -8.683 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.641 3.328 -10.827 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.718 2.704 -8.399 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.737 4.454 -8.302 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.855 3.682 -9.198 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.992 4.556 -10.448 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.196 2.419 -11.416 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.009 1.526 -10.146 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.007 3.098 -11.340 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.689 0.633 -12.367 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.752 -0.008 -13.624 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -6.371 2.250 -12.946 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.824 0.902 -13.949 1.00 0.00 H new ATOM 1483 N GLN A 94 -0.637 6.007 -10.498 1.00 0.00 N ATOM 1484 CA GLN A 94 -0.250 7.409 -10.498 1.00 0.00 C ATOM 1485 C GLN A 94 -1.471 8.310 -10.359 1.00 0.00 C ATOM 1486 O GLN A 94 -2.491 8.112 -11.022 1.00 0.00 O ATOM 1487 CB GLN A 94 0.553 7.762 -11.756 1.00 0.00 C ATOM 1488 CG GLN A 94 -0.197 7.559 -13.062 1.00 0.00 C ATOM 1489 CD GLN A 94 0.681 7.795 -14.274 1.00 0.00 C ATOM 1490 OE1 GLN A 94 1.312 6.869 -14.791 1.00 0.00 O ATOM 1491 NE2 GLN A 94 0.745 9.036 -14.724 1.00 0.00 N ATOM 0 H GLN A 94 -1.495 5.799 -11.009 1.00 0.00 H new ATOM 0 HA GLN A 94 0.394 7.578 -9.635 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.867 8.804 -11.690 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.459 7.157 -11.775 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.594 6.544 -13.096 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.050 8.236 -13.097 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.207 9.772 -14.267 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.332 9.257 -15.528 1.00 0.00 H new ATOM 1500 N ASP A 95 -1.368 9.286 -9.471 1.00 0.00 N ATOM 1501 CA ASP A 95 -2.452 10.235 -9.250 1.00 0.00 C ATOM 1502 C ASP A 95 -2.417 11.336 -10.299 1.00 0.00 C ATOM 1503 O ASP A 95 -3.448 11.726 -10.844 1.00 0.00 O ATOM 1504 CB ASP A 95 -2.357 10.836 -7.850 1.00 0.00 C ATOM 1505 CG ASP A 95 -3.410 11.894 -7.602 1.00 0.00 C ATOM 1506 OD1 ASP A 95 -4.603 11.539 -7.487 1.00 0.00 O ATOM 1507 OD2 ASP A 95 -3.049 13.081 -7.504 1.00 0.00 O ATOM 0 H ASP A 95 -0.545 9.443 -8.890 1.00 0.00 H new ATOM 0 HA ASP A 95 -3.399 9.702 -9.337 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.462 10.043 -7.110 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.368 11.273 -7.712 1.00 0.00 H new ATOM 1512 N LEU A 96 -1.220 11.820 -10.587 1.00 0.00 N ATOM 1513 CA LEU A 96 -1.037 12.837 -11.609 1.00 0.00 C ATOM 1514 C LEU A 96 -0.946 12.176 -12.977 1.00 0.00 C ATOM 1515 O LEU A 96 -0.062 11.352 -13.215 1.00 0.00 O ATOM 1516 CB LEU A 96 0.228 13.671 -11.349 1.00 0.00 C ATOM 1517 CG LEU A 96 0.214 14.562 -10.097 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -1.058 15.393 -10.038 1.00 0.00 C ATOM 1519 CD2 LEU A 96 0.383 13.738 -8.827 1.00 0.00 C ATOM 0 H LEU A 96 -0.359 11.524 -10.127 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.895 13.508 -11.579 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.076 12.991 -11.275 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.403 14.305 -12.218 1.00 0.00 H new ATOM 0 HG LEU A 96 1.063 15.242 -10.165 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.045 16.015 -9.143 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.119 16.029 -10.921 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.924 14.731 -10.007 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.369 14.399 -7.960 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.432 13.019 -8.749 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.334 13.206 -8.862 1.00 0.00 H new ATOM 1531 N PRO A 97 -1.875 12.506 -13.884 1.00 0.00 N ATOM 1532 CA PRO A 97 -1.884 11.958 -15.243 1.00 0.00 C ATOM 1533 C PRO A 97 -0.647 12.382 -16.028 1.00 0.00 C ATOM 1534 O PRO A 97 0.080 11.546 -16.567 1.00 0.00 O ATOM 1535 CB PRO A 97 -3.151 12.555 -15.870 1.00 0.00 C ATOM 1536 CG PRO A 97 -3.974 13.025 -14.720 1.00 0.00 C ATOM 1537 CD PRO A 97 -2.997 13.428 -13.657 1.00 0.00 C ATOM 0 HA PRO A 97 -1.875 10.868 -15.247 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -2.907 13.378 -16.542 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -3.687 11.811 -16.459 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -4.606 13.865 -15.009 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -4.636 12.235 -14.364 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.693 14.470 -13.760 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.417 13.316 -12.657 1.00 0.00 H new ATOM 1545 N GLU A 98 -0.404 13.683 -16.068 1.00 0.00 N ATOM 1546 CA GLU A 98 0.752 14.221 -16.760 1.00 0.00 C ATOM 1547 C GLU A 98 1.801 14.695 -15.770 1.00 0.00 C ATOM 1548 O GLU A 98 1.666 15.766 -15.172 1.00 0.00 O ATOM 1549 CB GLU A 98 0.344 15.376 -17.675 1.00 0.00 C ATOM 1550 CG GLU A 98 -0.318 14.925 -18.963 1.00 0.00 C ATOM 1551 CD GLU A 98 0.650 14.222 -19.892 1.00 0.00 C ATOM 1552 OE1 GLU A 98 0.909 13.018 -19.692 1.00 0.00 O ATOM 1553 OE2 GLU A 98 1.160 14.870 -20.830 1.00 0.00 O ATOM 0 H GLU A 98 -0.996 14.387 -15.627 1.00 0.00 H new ATOM 0 HA GLU A 98 1.179 13.423 -17.368 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.339 16.032 -17.136 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.228 15.966 -17.918 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.145 14.254 -18.728 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.744 15.790 -19.472 1.00 0.00 H new ATOM 1560 N ILE A 99 2.823 13.881 -15.569 1.00 0.00 N ATOM 1561 CA ILE A 99 3.963 14.287 -14.769 1.00 0.00 C ATOM 1562 C ILE A 99 5.088 14.722 -15.693 1.00 0.00 C ATOM 1563 O ILE A 99 5.734 13.895 -16.344 1.00 0.00 O ATOM 1564 CB ILE A 99 4.457 13.162 -13.831 1.00 0.00 C ATOM 1565 CG1 ILE A 99 3.336 12.742 -12.875 1.00 0.00 C ATOM 1566 CG2 ILE A 99 5.685 13.618 -13.049 1.00 0.00 C ATOM 1567 CD1 ILE A 99 3.748 11.686 -11.871 1.00 0.00 C ATOM 0 H ILE A 99 2.886 12.936 -15.949 1.00 0.00 H new ATOM 0 HA ILE A 99 3.648 15.115 -14.134 1.00 0.00 H new ATOM 0 HB ILE A 99 4.739 12.301 -14.437 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.982 13.622 -12.337 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.496 12.366 -13.459 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.019 12.813 -12.394 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.484 13.875 -13.744 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.431 14.492 -12.449 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.900 11.442 -11.231 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.074 10.790 -12.399 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.567 12.065 -11.260 1.00 0.00 H new ATOM 1579 N THR A 100 5.292 16.022 -15.773 1.00 0.00 N ATOM 1580 CA THR A 100 6.282 16.584 -16.664 1.00 0.00 C ATOM 1581 C THR A 100 7.252 17.471 -15.900 1.00 0.00 C ATOM 1582 O THR A 100 6.968 17.900 -14.781 1.00 0.00 O ATOM 1583 CB THR A 100 5.607 17.400 -17.786 1.00 0.00 C ATOM 1584 OG1 THR A 100 4.637 18.296 -17.225 1.00 0.00 O ATOM 1585 CG2 THR A 100 4.928 16.484 -18.793 1.00 0.00 C ATOM 0 H THR A 100 4.779 16.713 -15.225 1.00 0.00 H new ATOM 0 HA THR A 100 6.835 15.758 -17.111 1.00 0.00 H new ATOM 0 HB THR A 100 6.380 17.971 -18.301 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.214 18.812 -17.943 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.460 17.084 -19.573 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.669 15.822 -19.240 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.167 15.889 -18.288 1.00 0.00 H new ATOM 1593 N ALA A 101 8.397 17.727 -16.502 1.00 0.00 N ATOM 1594 CA ALA A 101 9.380 18.617 -15.925 1.00 0.00 C ATOM 1595 C ALA A 101 9.760 19.681 -16.936 1.00 0.00 C ATOM 1596 O ALA A 101 10.247 19.369 -18.023 1.00 0.00 O ATOM 1597 CB ALA A 101 10.609 17.841 -15.476 1.00 0.00 C ATOM 0 H ALA A 101 8.669 17.326 -17.399 1.00 0.00 H new ATOM 0 HA ALA A 101 8.949 19.099 -15.048 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.336 18.529 -15.045 1.00 0.00 H new ATOM 0 HB2 ALA A 101 10.320 17.103 -14.728 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.053 17.334 -16.333 1.00 0.00 H new ATOM 1603 N GLN A 102 9.521 20.929 -16.583 1.00 0.00 N ATOM 1604 CA GLN A 102 9.844 22.044 -17.452 1.00 0.00 C ATOM 1605 C GLN A 102 10.294 23.230 -16.618 1.00 0.00 C ATOM 1606 O GLN A 102 9.680 23.551 -15.598 1.00 0.00 O ATOM 1607 CB GLN A 102 8.643 22.416 -18.333 1.00 0.00 C ATOM 1608 CG GLN A 102 7.382 22.762 -17.555 1.00 0.00 C ATOM 1609 CD GLN A 102 6.186 23.009 -18.457 1.00 0.00 C ATOM 1610 OE1 GLN A 102 6.065 22.417 -19.531 1.00 0.00 O ATOM 1611 NE2 GLN A 102 5.296 23.893 -18.032 1.00 0.00 N ATOM 0 H GLN A 102 9.101 21.198 -15.693 1.00 0.00 H new ATOM 0 HA GLN A 102 10.659 21.751 -18.113 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.915 23.266 -18.959 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.426 21.584 -19.003 1.00 0.00 H new ATOM 0 HG2 GLN A 102 7.151 21.950 -16.866 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.565 23.650 -16.950 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.431 24.363 -17.137 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.475 24.104 -18.600 1.00 0.00 H new ATOM 1620 N ARG A 103 11.380 23.863 -17.030 1.00 0.00 N ATOM 1621 CA ARG A 103 11.922 24.979 -16.274 1.00 0.00 C ATOM 1622 C ARG A 103 11.195 26.273 -16.626 1.00 0.00 C ATOM 1623 O ARG A 103 11.606 27.033 -17.506 1.00 0.00 O ATOM 1624 CB ARG A 103 13.438 25.108 -16.474 1.00 0.00 C ATOM 1625 CG ARG A 103 13.879 25.244 -17.922 1.00 0.00 C ATOM 1626 CD ARG A 103 15.389 25.369 -18.023 1.00 0.00 C ATOM 1627 NE ARG A 103 15.905 26.494 -17.240 1.00 0.00 N ATOM 1628 CZ ARG A 103 17.193 26.663 -16.936 1.00 0.00 C ATOM 1629 NH1 ARG A 103 18.092 25.761 -17.309 1.00 0.00 N ATOM 1630 NH2 ARG A 103 17.575 27.727 -16.241 1.00 0.00 N ATOM 0 H ARG A 103 11.899 23.626 -17.875 1.00 0.00 H new ATOM 0 HA ARG A 103 11.756 24.782 -15.215 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.791 25.976 -15.918 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.923 24.233 -16.041 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.544 24.377 -18.491 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.408 26.120 -18.368 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.852 24.445 -17.677 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.672 25.496 -19.068 1.00 0.00 H new ATOM 0 HE ARG A 103 15.239 27.191 -16.907 1.00 0.00 H new ATOM 0 HH11 ARG A 103 17.799 24.935 -17.830 1.00 0.00 H new ATOM 0 HH12 ARG A 103 19.076 25.894 -17.074 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.884 28.414 -15.940 1.00 0.00 H new ATOM 0 HH22 ARG A 103 18.559 27.857 -16.008 1.00 0.00 H new ATOM 1644 N GLN A 104 10.079 26.485 -15.953 1.00 0.00 N ATOM 1645 CA GLN A 104 9.297 27.695 -16.121 1.00 0.00 C ATOM 1646 C GLN A 104 9.747 28.737 -15.106 1.00 0.00 C ATOM 1647 O GLN A 104 10.719 28.521 -14.382 1.00 0.00 O ATOM 1648 CB GLN A 104 7.807 27.384 -15.964 1.00 0.00 C ATOM 1649 CG GLN A 104 7.444 26.797 -14.610 1.00 0.00 C ATOM 1650 CD GLN A 104 6.018 26.290 -14.559 1.00 0.00 C ATOM 1651 OE1 GLN A 104 5.471 25.828 -15.562 1.00 0.00 O ATOM 1652 NE2 GLN A 104 5.405 26.379 -13.392 1.00 0.00 N ATOM 0 H GLN A 104 9.691 25.826 -15.278 1.00 0.00 H new ATOM 0 HA GLN A 104 9.454 28.095 -17.123 1.00 0.00 H new ATOM 0 HB2 GLN A 104 7.236 28.299 -16.118 1.00 0.00 H new ATOM 0 HB3 GLN A 104 7.507 26.686 -16.745 1.00 0.00 H new ATOM 0 HG2 GLN A 104 8.125 25.978 -14.379 1.00 0.00 H new ATOM 0 HG3 GLN A 104 7.584 27.556 -13.840 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.895 26.768 -12.587 1.00 0.00 H new ATOM 0 HE22 GLN A 104 4.441 26.058 -13.296 1.00 0.00 H new ATOM 1661 N LEU A 105 9.047 29.856 -15.045 1.00 0.00 N ATOM 1662 CA LEU A 105 9.442 30.935 -14.157 1.00 0.00 C ATOM 1663 C LEU A 105 8.957 30.654 -12.737 1.00 0.00 C ATOM 1664 O LEU A 105 9.690 30.863 -11.769 1.00 0.00 O ATOM 1665 CB LEU A 105 8.899 32.273 -14.681 1.00 0.00 C ATOM 1666 CG LEU A 105 9.507 33.538 -14.060 1.00 0.00 C ATOM 1667 CD1 LEU A 105 9.342 34.715 -15.005 1.00 0.00 C ATOM 1668 CD2 LEU A 105 8.856 33.858 -12.722 1.00 0.00 C ATOM 0 H LEU A 105 8.208 30.041 -15.595 1.00 0.00 H new ATOM 0 HA LEU A 105 10.530 31.000 -14.131 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.058 32.309 -15.759 1.00 0.00 H new ATOM 0 HB3 LEU A 105 7.822 32.294 -14.517 1.00 0.00 H new ATOM 0 HG LEU A 105 10.568 33.355 -13.892 1.00 0.00 H new ATOM 0 HD11 LEU A 105 9.777 35.607 -14.554 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.849 34.500 -15.946 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.282 34.884 -15.194 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.306 34.759 -12.305 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.788 34.019 -12.866 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.007 33.025 -12.035 1.00 0.00 H new ATOM 1680 N ARG A 106 7.731 30.165 -12.618 1.00 0.00 N ATOM 1681 CA ARG A 106 7.148 29.902 -11.309 1.00 0.00 C ATOM 1682 C ARG A 106 7.363 28.442 -10.886 1.00 0.00 C ATOM 1683 O ARG A 106 6.540 27.572 -11.247 1.00 0.00 O ATOM 1684 CB ARG A 106 5.658 30.281 -11.294 1.00 0.00 C ATOM 1685 CG ARG A 106 4.801 29.561 -12.326 1.00 0.00 C ATOM 1686 CD ARG A 106 3.355 30.012 -12.247 1.00 0.00 C ATOM 1687 NE ARG A 106 2.444 29.098 -12.936 1.00 0.00 N ATOM 1688 CZ ARG A 106 1.158 29.361 -13.155 1.00 0.00 C ATOM 1689 NH1 ARG A 106 0.661 30.555 -12.854 1.00 0.00 N ATOM 1690 NH2 ARG A 106 0.375 28.436 -13.697 1.00 0.00 N ATOM 1691 OXT ARG A 106 8.363 28.171 -10.190 1.00 0.00 O ATOM 0 H ARG A 106 7.123 29.943 -13.407 1.00 0.00 H new ATOM 0 HA ARG A 106 7.660 30.527 -10.577 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.256 30.075 -10.302 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.570 31.355 -11.456 1.00 0.00 H new ATOM 0 HG2 ARG A 106 5.191 29.754 -13.325 1.00 0.00 H new ATOM 0 HG3 ARG A 106 4.859 28.485 -12.164 1.00 0.00 H new ATOM 0 HD2 ARG A 106 3.060 30.094 -11.201 1.00 0.00 H new ATOM 0 HD3 ARG A 106 3.264 31.007 -12.682 1.00 0.00 H new ATOM 0 HE ARG A 106 2.816 28.208 -13.268 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.265 31.273 -12.454 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -0.325 30.754 -13.023 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.759 27.524 -13.945 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.611 28.637 -13.865 1.00 0.00 H new TER 1705 ARG A 106