USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 816 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 44 GLN : amide:sc= -0.517 K(o=-0.79,f=-1.7) USER MOD Set 1.2: B 44 GLN : amide:sc= -0.271 K(o=-0.79,f=-1.7!) USER MOD Single : A 1 PHE N :NH3+ 156:sc= 0.953 (180deg=0.317) USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0267) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -50:sc= 0.928 USER MOD Single : A 16 HIS : no HD1:sc= -2.21 K(o=-2.2,f=-3.1) USER MOD Single : A 17 SER OG : rot 5:sc= 0.724! USER MOD Single : A 18 ASN : amide:sc= -0.052 K(o=-0.052,f=-1.9!) USER MOD Single : A 22 MET CE :methyl 152:sc= -0.186 (180deg=-1.42!) USER MOD Single : A 24 SER OG : rot 80:sc= 0.0449 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.0301 F(o=-0.91,f=-0.03) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 156:sc= -0.146 (180deg=-0.866) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -1.03 K(o=-1,f=-2.3!) USER MOD Single : A 53 GLN :FLIP amide:sc= -2.58 F(o=-3.3!,f=-2.6) USER MOD Single : B 1 PHE N :NH3+ 157:sc= 0.944 (180deg=0.377) USER MOD Single : B 7 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0278) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot -15:sc= 0.905 USER MOD Single : B 16 HIS : no HD1:sc= -2.34 K(o=-2.3,f=-3.1) USER MOD Single : B 17 SER OG : rot 6:sc= 0.728! USER MOD Single : B 18 ASN : amide:sc= -0.0731 K(o=-0.073,f=-2!) USER MOD Single : B 22 MET CE :methyl 154:sc= -0.274 (180deg=-1.52!) USER MOD Single : B 24 SER OG : rot 79:sc= 0.0314 USER MOD Single : B 27 ASN :FLIP amide:sc= -0.0289 F(o=-0.96,f=-0.029) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ 156:sc= -0.127 (180deg=-0.893) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-2.4!) USER MOD Single : B 53 GLN :FLIP amide:sc= -2.52 F(o=-3.4!,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.401 -4.713 23.893 1.00 0.00 N ATOM 2 CA PHE A 1 95.092 -4.006 25.167 1.00 0.00 C ATOM 3 C PHE A 1 95.230 -2.498 24.947 1.00 0.00 C ATOM 4 O PHE A 1 96.320 -1.974 24.826 1.00 0.00 O ATOM 5 CB PHE A 1 96.061 -4.473 26.254 1.00 0.00 C ATOM 6 CG PHE A 1 96.249 -5.975 26.154 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.195 -6.838 26.484 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.475 -6.504 25.728 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.368 -8.226 26.388 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.647 -7.892 25.634 1.00 0.00 C ATOM 11 CZ PHE A 1 96.594 -8.752 25.964 1.00 0.00 C ATOM 0 H1 PHE A 1 95.708 -5.685 24.101 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.550 -4.739 23.295 1.00 0.00 H new ATOM 0 H3 PHE A 1 96.161 -4.210 23.392 1.00 0.00 H new ATOM 0 HA PHE A 1 94.073 -4.231 25.482 1.00 0.00 H new ATOM 0 HB2 PHE A 1 97.020 -3.968 26.142 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.674 -4.209 27.238 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.249 -6.434 26.812 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.288 -5.841 25.472 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.555 -8.890 26.641 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.593 -8.298 25.307 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.727 -9.821 25.892 1.00 0.00 H new ATOM 23 N LEU A 2 94.123 -1.800 24.869 1.00 0.00 N ATOM 24 CA LEU A 2 94.166 -0.323 24.626 1.00 0.00 C ATOM 25 C LEU A 2 93.977 0.455 25.924 1.00 0.00 C ATOM 26 O LEU A 2 93.135 0.142 26.730 1.00 0.00 O ATOM 27 CB LEU A 2 93.042 0.062 23.660 1.00 0.00 C ATOM 28 CG LEU A 2 93.191 -0.695 22.336 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.999 -0.354 21.436 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.501 -0.285 21.637 1.00 0.00 C ATOM 0 H LEU A 2 93.186 -2.192 24.964 1.00 0.00 H new ATOM 0 HA LEU A 2 95.141 -0.076 24.205 1.00 0.00 H new ATOM 0 HB2 LEU A 2 92.075 -0.165 24.109 1.00 0.00 H new ATOM 0 HB3 LEU A 2 93.064 1.136 23.476 1.00 0.00 H new ATOM 0 HG LEU A 2 93.218 -1.767 22.529 1.00 0.00 H new ATOM 0 HD11 LEU A 2 92.093 -0.887 20.490 1.00 0.00 H new ATOM 0 HD12 LEU A 2 91.074 -0.652 21.929 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.981 0.719 21.248 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.597 -0.829 20.697 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.487 0.786 21.437 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.347 -0.522 22.282 1.00 0.00 H new ATOM 42 N ASP A 3 94.734 1.501 26.104 1.00 0.00 N ATOM 43 CA ASP A 3 94.575 2.325 27.331 1.00 0.00 C ATOM 44 C ASP A 3 93.145 2.862 27.346 1.00 0.00 C ATOM 45 O ASP A 3 92.513 2.955 28.380 1.00 0.00 O ATOM 46 CB ASP A 3 95.562 3.494 27.314 1.00 0.00 C ATOM 47 CG ASP A 3 96.986 2.964 27.501 1.00 0.00 C ATOM 48 OD1 ASP A 3 97.124 1.848 27.976 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.912 3.678 27.153 1.00 0.00 O ATOM 0 H ASP A 3 95.454 1.819 25.455 1.00 0.00 H new ATOM 0 HA ASP A 3 94.772 1.723 28.218 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.485 4.035 26.371 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.319 4.201 28.107 1.00 0.00 H new ATOM 54 N GLY A 4 92.623 3.200 26.193 1.00 0.00 N ATOM 55 CA GLY A 4 91.223 3.714 26.119 1.00 0.00 C ATOM 56 C GLY A 4 90.307 2.778 26.911 1.00 0.00 C ATOM 57 O GLY A 4 89.172 3.100 27.206 1.00 0.00 O ATOM 0 H GLY A 4 93.109 3.141 25.298 1.00 0.00 H new ATOM 0 HA2 GLY A 4 91.171 4.724 26.525 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.897 3.770 25.080 1.00 0.00 H new ATOM 61 N ILE A 5 90.810 1.630 27.277 1.00 0.00 N ATOM 62 CA ILE A 5 90.002 0.670 28.076 1.00 0.00 C ATOM 63 C ILE A 5 89.611 1.358 29.386 1.00 0.00 C ATOM 64 O ILE A 5 88.530 1.167 29.903 1.00 0.00 O ATOM 65 CB ILE A 5 90.848 -0.590 28.340 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.855 -1.462 27.083 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.280 -1.394 29.512 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.946 -2.533 27.200 1.00 0.00 C ATOM 0 H ILE A 5 91.754 1.315 27.054 1.00 0.00 H new ATOM 0 HA ILE A 5 89.098 0.371 27.546 1.00 0.00 H new ATOM 0 HB ILE A 5 91.863 -0.283 28.592 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.881 -1.934 26.952 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.031 -0.845 26.202 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.895 -2.279 29.678 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.281 -0.777 30.411 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.259 -1.700 29.283 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.947 -3.151 26.302 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.918 -2.052 27.310 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.750 -3.158 28.071 1.00 0.00 H new ATOM 80 N ASP A 6 90.484 2.167 29.917 1.00 0.00 N ATOM 81 CA ASP A 6 90.169 2.890 31.181 1.00 0.00 C ATOM 82 C ASP A 6 88.933 3.770 30.965 1.00 0.00 C ATOM 83 O ASP A 6 88.110 3.927 31.845 1.00 0.00 O ATOM 84 CB ASP A 6 91.361 3.760 31.582 1.00 0.00 C ATOM 85 CG ASP A 6 91.064 4.455 32.912 1.00 0.00 C ATOM 86 OD1 ASP A 6 89.902 4.529 33.272 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.004 4.897 33.550 1.00 0.00 O ATOM 0 H ASP A 6 91.407 2.360 29.528 1.00 0.00 H new ATOM 0 HA ASP A 6 89.968 2.171 31.975 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.258 3.147 31.673 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.559 4.502 30.809 1.00 0.00 H new ATOM 92 N LYS A 7 88.804 4.355 29.803 1.00 0.00 N ATOM 93 CA LYS A 7 87.626 5.235 29.535 1.00 0.00 C ATOM 94 C LYS A 7 86.345 4.404 29.609 1.00 0.00 C ATOM 95 O LYS A 7 85.319 4.868 30.066 1.00 0.00 O ATOM 96 CB LYS A 7 87.734 5.847 28.134 1.00 0.00 C ATOM 97 CG LYS A 7 88.981 6.728 28.044 1.00 0.00 C ATOM 98 CD LYS A 7 89.075 7.334 26.642 1.00 0.00 C ATOM 99 CE LYS A 7 90.322 8.218 26.543 1.00 0.00 C ATOM 100 NZ LYS A 7 90.063 9.517 27.227 1.00 0.00 N ATOM 0 H LYS A 7 89.462 4.262 29.029 1.00 0.00 H new ATOM 0 HA LYS A 7 87.604 6.030 30.280 1.00 0.00 H new ATOM 0 HB2 LYS A 7 87.782 5.056 27.385 1.00 0.00 H new ATOM 0 HB3 LYS A 7 86.844 6.438 27.917 1.00 0.00 H new ATOM 0 HG2 LYS A 7 88.935 7.520 28.792 1.00 0.00 H new ATOM 0 HG3 LYS A 7 89.872 6.138 28.258 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.119 6.541 25.895 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.183 7.923 26.429 1.00 0.00 H new ATOM 0 HE2 LYS A 7 91.174 7.716 27.001 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.578 8.389 25.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 90.861 10.162 27.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 89.191 9.940 26.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 89.956 9.356 28.249 1.00 0.00 H new ATOM 114 N ALA A 8 86.392 3.182 29.155 1.00 0.00 N ATOM 115 CA ALA A 8 85.177 2.323 29.188 1.00 0.00 C ATOM 116 C ALA A 8 84.696 2.161 30.634 1.00 0.00 C ATOM 117 O ALA A 8 83.514 2.076 30.894 1.00 0.00 O ATOM 118 CB ALA A 8 85.510 0.951 28.600 1.00 0.00 C ATOM 0 H ALA A 8 87.223 2.741 28.761 1.00 0.00 H new ATOM 0 HA ALA A 8 84.387 2.790 28.599 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.622 0.320 28.623 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.845 1.068 27.569 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.301 0.485 29.188 1.00 0.00 H new ATOM 124 N GLN A 9 85.598 2.115 31.576 1.00 0.00 N ATOM 125 CA GLN A 9 85.175 1.953 32.998 1.00 0.00 C ATOM 126 C GLN A 9 84.276 3.125 33.403 1.00 0.00 C ATOM 127 O GLN A 9 83.280 2.950 34.080 1.00 0.00 O ATOM 128 CB GLN A 9 86.417 1.926 33.894 1.00 0.00 C ATOM 129 CG GLN A 9 87.179 0.622 33.659 1.00 0.00 C ATOM 130 CD GLN A 9 88.527 0.679 34.376 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.677 1.376 35.361 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.522 -0.034 33.924 1.00 0.00 N ATOM 0 H GLN A 9 86.605 2.182 31.425 1.00 0.00 H new ATOM 0 HA GLN A 9 84.622 1.020 33.111 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.057 2.780 33.674 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.126 2.007 34.941 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.596 -0.223 34.026 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.330 0.465 32.591 1.00 0.00 H new ATOM 0 HE21 GLN A 9 89.396 -0.619 33.098 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.425 -0.007 34.397 1.00 0.00 H new ATOM 141 N GLU A 10 84.614 4.314 32.992 1.00 0.00 N ATOM 142 CA GLU A 10 83.778 5.498 33.343 1.00 0.00 C ATOM 143 C GLU A 10 82.374 5.342 32.751 1.00 0.00 C ATOM 144 O GLU A 10 81.387 5.695 33.365 1.00 0.00 O ATOM 145 CB GLU A 10 84.429 6.767 32.790 1.00 0.00 C ATOM 146 CG GLU A 10 85.710 7.066 33.573 1.00 0.00 C ATOM 147 CD GLU A 10 86.383 8.311 32.997 1.00 0.00 C ATOM 148 OE1 GLU A 10 87.093 8.175 32.014 1.00 0.00 O ATOM 149 OE2 GLU A 10 86.177 9.381 33.546 1.00 0.00 O ATOM 0 H GLU A 10 85.437 4.519 32.425 1.00 0.00 H new ATOM 0 HA GLU A 10 83.701 5.571 34.428 1.00 0.00 H new ATOM 0 HB2 GLU A 10 84.658 6.640 31.732 1.00 0.00 H new ATOM 0 HB3 GLU A 10 83.738 7.607 32.868 1.00 0.00 H new ATOM 0 HG2 GLU A 10 85.477 7.221 34.626 1.00 0.00 H new ATOM 0 HG3 GLU A 10 86.389 6.215 33.518 1.00 0.00 H new ATOM 156 N GLU A 11 82.279 4.840 31.547 1.00 0.00 N ATOM 157 CA GLU A 11 80.942 4.685 30.894 1.00 0.00 C ATOM 158 C GLU A 11 80.376 3.283 31.147 1.00 0.00 C ATOM 159 O GLU A 11 79.346 2.924 30.613 1.00 0.00 O ATOM 160 CB GLU A 11 81.092 4.895 29.385 1.00 0.00 C ATOM 161 CG GLU A 11 81.596 6.314 29.108 1.00 0.00 C ATOM 162 CD GLU A 11 80.505 7.325 29.471 1.00 0.00 C ATOM 163 OE1 GLU A 11 79.399 7.176 28.977 1.00 0.00 O ATOM 164 OE2 GLU A 11 80.794 8.232 30.234 1.00 0.00 O ATOM 0 H GLU A 11 83.072 4.529 30.985 1.00 0.00 H new ATOM 0 HA GLU A 11 80.260 5.423 31.315 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.789 4.165 28.974 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.134 4.736 28.889 1.00 0.00 H new ATOM 0 HG2 GLU A 11 82.497 6.511 29.689 1.00 0.00 H new ATOM 0 HG3 GLU A 11 81.866 6.416 28.057 1.00 0.00 H new ATOM 171 N CYS A 12 81.028 2.485 31.951 1.00 0.00 N ATOM 172 CA CYS A 12 80.497 1.115 32.213 1.00 0.00 C ATOM 173 C CYS A 12 79.015 1.213 32.578 1.00 0.00 C ATOM 174 O CYS A 12 78.200 0.425 32.140 1.00 0.00 O ATOM 175 CB CYS A 12 81.266 0.477 33.374 1.00 0.00 C ATOM 176 SG CYS A 12 80.794 -1.265 33.528 1.00 0.00 S ATOM 0 H CYS A 12 81.896 2.719 32.433 1.00 0.00 H new ATOM 0 HA CYS A 12 80.618 0.501 31.321 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.339 0.560 33.202 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.050 1.007 34.302 1.00 0.00 H new ATOM 181 N GLU A 13 78.668 2.182 33.376 1.00 0.00 N ATOM 182 CA GLU A 13 77.245 2.353 33.779 1.00 0.00 C ATOM 183 C GLU A 13 76.384 2.617 32.538 1.00 0.00 C ATOM 184 O GLU A 13 75.274 2.134 32.428 1.00 0.00 O ATOM 185 CB GLU A 13 77.131 3.538 34.743 1.00 0.00 C ATOM 186 CG GLU A 13 77.785 3.182 36.081 1.00 0.00 C ATOM 187 CD GLU A 13 76.986 2.075 36.774 1.00 0.00 C ATOM 188 OE1 GLU A 13 75.804 2.278 37.003 1.00 0.00 O ATOM 189 OE2 GLU A 13 77.568 1.042 37.058 1.00 0.00 O ATOM 0 H GLU A 13 79.313 2.868 33.769 1.00 0.00 H new ATOM 0 HA GLU A 13 76.896 1.445 34.271 1.00 0.00 H new ATOM 0 HB2 GLU A 13 77.614 4.416 34.314 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.083 3.794 34.897 1.00 0.00 H new ATOM 0 HG2 GLU A 13 78.812 2.854 35.918 1.00 0.00 H new ATOM 0 HG3 GLU A 13 77.830 4.064 36.720 1.00 0.00 H new ATOM 196 N LYS A 14 76.879 3.393 31.612 1.00 0.00 N ATOM 197 CA LYS A 14 76.078 3.703 30.391 1.00 0.00 C ATOM 198 C LYS A 14 75.756 2.412 29.632 1.00 0.00 C ATOM 199 O LYS A 14 74.664 2.242 29.124 1.00 0.00 O ATOM 200 CB LYS A 14 76.865 4.655 29.479 1.00 0.00 C ATOM 201 CG LYS A 14 75.980 5.081 28.303 1.00 0.00 C ATOM 202 CD LYS A 14 76.755 6.033 27.390 1.00 0.00 C ATOM 203 CE LYS A 14 75.866 6.456 26.217 1.00 0.00 C ATOM 204 NZ LYS A 14 76.635 7.344 25.301 1.00 0.00 N ATOM 0 H LYS A 14 77.802 3.826 31.647 1.00 0.00 H new ATOM 0 HA LYS A 14 75.146 4.181 30.693 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.188 5.531 30.041 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.765 4.163 29.111 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.659 4.204 27.741 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.079 5.570 28.673 1.00 0.00 H new ATOM 0 HD2 LYS A 14 77.076 6.911 27.951 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.656 5.545 27.019 1.00 0.00 H new ATOM 0 HE2 LYS A 14 75.516 5.576 25.677 1.00 0.00 H new ATOM 0 HE3 LYS A 14 74.982 6.976 26.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 76.029 7.630 24.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 76.948 8.190 25.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 77.465 6.833 24.938 1.00 0.00 H new ATOM 218 N TYR A 15 76.687 1.498 29.548 1.00 0.00 N ATOM 219 CA TYR A 15 76.417 0.224 28.812 1.00 0.00 C ATOM 220 C TYR A 15 75.793 -0.797 29.764 1.00 0.00 C ATOM 221 O TYR A 15 75.264 -1.807 29.344 1.00 0.00 O ATOM 222 CB TYR A 15 77.728 -0.327 28.250 1.00 0.00 C ATOM 223 CG TYR A 15 78.243 0.620 27.195 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.626 0.663 25.940 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.326 1.466 27.472 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.089 1.546 24.961 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.789 2.353 26.491 1.00 0.00 C ATOM 228 CZ TYR A 15 79.170 2.392 25.235 1.00 0.00 C ATOM 229 OH TYR A 15 79.624 3.264 24.268 1.00 0.00 O ATOM 0 H TYR A 15 77.619 1.576 29.955 1.00 0.00 H new ATOM 0 HA TYR A 15 75.726 0.418 27.992 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.463 -0.439 29.047 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.569 -1.317 27.823 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.790 0.013 25.728 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.803 1.434 28.440 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.612 1.576 23.992 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.623 3.006 26.703 1.00 0.00 H new ATOM 0 HH TYR A 15 79.759 2.779 23.427 1.00 0.00 H new ATOM 239 N HIS A 16 75.838 -0.533 31.041 1.00 0.00 N ATOM 240 CA HIS A 16 75.232 -1.471 32.029 1.00 0.00 C ATOM 241 C HIS A 16 75.881 -2.854 31.914 1.00 0.00 C ATOM 242 O HIS A 16 77.081 -2.980 31.765 1.00 0.00 O ATOM 243 CB HIS A 16 73.724 -1.584 31.776 1.00 0.00 C ATOM 244 CG HIS A 16 73.142 -0.203 31.638 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.042 0.440 30.411 1.00 0.00 N ATOM 246 CD2 HIS A 16 72.631 0.673 32.563 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.492 1.649 30.631 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.225 1.838 31.924 1.00 0.00 N ATOM 0 H HIS A 16 76.271 0.297 31.445 1.00 0.00 H new ATOM 0 HA HIS A 16 75.403 -1.084 33.034 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.537 -2.163 30.871 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.244 -2.114 32.598 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.556 0.486 33.624 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.292 2.375 29.857 1.00 0.00 H new ATOM 0 HE2 HIS A 16 71.810 2.665 32.354 1.00 0.00 H new ATOM 257 N SER A 17 75.096 -3.895 31.998 1.00 0.00 N ATOM 258 CA SER A 17 75.658 -5.276 31.913 1.00 0.00 C ATOM 259 C SER A 17 75.825 -5.694 30.448 1.00 0.00 C ATOM 260 O SER A 17 76.307 -6.770 30.158 1.00 0.00 O ATOM 261 CB SER A 17 74.713 -6.249 32.617 1.00 0.00 C ATOM 262 OG SER A 17 75.015 -7.577 32.206 1.00 0.00 O ATOM 0 H SER A 17 74.085 -3.849 32.122 1.00 0.00 H new ATOM 0 HA SER A 17 76.635 -5.293 32.396 1.00 0.00 H new ATOM 0 HB2 SER A 17 74.818 -6.158 33.698 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.678 -6.008 32.376 1.00 0.00 H new ATOM 0 HG SER A 17 75.810 -7.569 31.633 1.00 0.00 H new ATOM 268 N ASN A 18 75.433 -4.860 29.521 1.00 0.00 N ATOM 269 CA ASN A 18 75.578 -5.232 28.080 1.00 0.00 C ATOM 270 C ASN A 18 77.022 -4.992 27.632 1.00 0.00 C ATOM 271 O ASN A 18 77.342 -3.975 27.051 1.00 0.00 O ATOM 272 CB ASN A 18 74.638 -4.373 27.228 1.00 0.00 C ATOM 273 CG ASN A 18 73.196 -4.848 27.415 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.959 -5.964 27.836 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.215 -4.042 27.114 1.00 0.00 N ATOM 0 H ASN A 18 75.021 -3.943 29.696 1.00 0.00 H new ATOM 0 HA ASN A 18 75.324 -6.285 27.955 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.726 -3.325 27.515 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.920 -4.440 26.177 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.249 -4.348 27.232 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.414 -3.106 26.761 1.00 0.00 H new ATOM 282 N TRP A 19 77.893 -5.926 27.901 1.00 0.00 N ATOM 283 CA TRP A 19 79.315 -5.758 27.495 1.00 0.00 C ATOM 284 C TRP A 19 79.454 -5.853 25.970 1.00 0.00 C ATOM 285 O TRP A 19 80.343 -5.262 25.386 1.00 0.00 O ATOM 286 CB TRP A 19 80.169 -6.835 28.167 1.00 0.00 C ATOM 287 CG TRP A 19 79.649 -8.197 27.829 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.725 -8.873 28.550 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.003 -9.057 26.708 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.505 -10.101 27.954 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.263 -10.259 26.813 1.00 0.00 C ATOM 292 CE3 TRP A 19 80.888 -8.916 25.623 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.395 -11.285 25.876 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.023 -9.947 24.678 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.277 -11.129 24.805 1.00 0.00 C ATOM 0 H TRP A 19 77.680 -6.798 28.385 1.00 0.00 H new ATOM 0 HA TRP A 19 79.659 -4.773 27.811 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.205 -6.743 27.841 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.161 -6.693 29.248 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.239 -8.512 29.445 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.860 -10.805 28.314 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.467 -8.010 25.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.819 -12.193 25.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.705 -9.829 23.849 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.385 -11.917 24.075 1.00 0.00 H new ATOM 306 N ARG A 20 78.596 -6.590 25.316 1.00 0.00 N ATOM 307 CA ARG A 20 78.700 -6.711 23.831 1.00 0.00 C ATOM 308 C ARG A 20 78.561 -5.337 23.173 1.00 0.00 C ATOM 309 O ARG A 20 79.262 -5.019 22.236 1.00 0.00 O ATOM 310 CB ARG A 20 77.606 -7.647 23.313 1.00 0.00 C ATOM 311 CG ARG A 20 77.959 -9.088 23.691 1.00 0.00 C ATOM 312 CD ARG A 20 76.870 -10.043 23.194 1.00 0.00 C ATOM 313 NE ARG A 20 77.404 -11.448 23.183 1.00 0.00 N ATOM 314 CZ ARG A 20 78.401 -11.801 22.417 1.00 0.00 C ATOM 315 NH1 ARG A 20 78.906 -10.961 21.554 1.00 0.00 N ATOM 316 NH2 ARG A 20 78.879 -13.014 22.496 1.00 0.00 N ATOM 0 H ARG A 20 77.830 -7.112 25.743 1.00 0.00 H new ATOM 0 HA ARG A 20 79.678 -7.121 23.579 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.642 -7.372 23.741 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.513 -7.554 22.231 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.920 -9.362 23.256 1.00 0.00 H new ATOM 0 HG3 ARG A 20 78.063 -9.174 24.773 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.994 -9.980 23.839 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.549 -9.756 22.192 1.00 0.00 H new ATOM 0 HE ARG A 20 76.975 -12.146 23.791 1.00 0.00 H new ATOM 0 HH11 ARG A 20 78.522 -10.020 21.474 1.00 0.00 H new ATOM 0 HH12 ARG A 20 79.685 -11.246 20.960 1.00 0.00 H new ATOM 0 HH21 ARG A 20 78.474 -13.680 23.154 1.00 0.00 H new ATOM 0 HH22 ARG A 20 79.658 -13.295 21.900 1.00 0.00 H new ATOM 330 N ALA A 21 77.673 -4.512 23.655 1.00 0.00 N ATOM 331 CA ALA A 21 77.521 -3.163 23.042 1.00 0.00 C ATOM 332 C ALA A 21 78.810 -2.374 23.273 1.00 0.00 C ATOM 333 O ALA A 21 79.326 -1.730 22.381 1.00 0.00 O ATOM 334 CB ALA A 21 76.348 -2.431 23.695 1.00 0.00 C ATOM 0 H ALA A 21 77.052 -4.711 24.439 1.00 0.00 H new ATOM 0 HA ALA A 21 77.329 -3.259 21.973 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.239 -1.444 23.245 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.432 -3.003 23.543 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.535 -2.324 24.763 1.00 0.00 H new ATOM 340 N MET A 22 79.336 -2.432 24.464 1.00 0.00 N ATOM 341 CA MET A 22 80.602 -1.706 24.765 1.00 0.00 C ATOM 342 C MET A 22 81.730 -2.254 23.885 1.00 0.00 C ATOM 343 O MET A 22 82.503 -1.511 23.312 1.00 0.00 O ATOM 344 CB MET A 22 80.949 -1.912 26.240 1.00 0.00 C ATOM 345 CG MET A 22 82.246 -1.177 26.577 1.00 0.00 C ATOM 346 SD MET A 22 82.559 -1.288 28.358 1.00 0.00 S ATOM 347 CE MET A 22 82.684 -3.090 28.465 1.00 0.00 C ATOM 0 H MET A 22 78.942 -2.954 25.247 1.00 0.00 H new ATOM 0 HA MET A 22 80.479 -0.642 24.561 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.138 -1.543 26.868 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.058 -2.976 26.452 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.078 -1.613 26.023 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.174 -0.132 26.274 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.334 -3.361 29.297 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.693 -3.515 28.625 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.101 -3.482 27.537 1.00 0.00 H new ATOM 357 N ALA A 23 81.829 -3.549 23.767 1.00 0.00 N ATOM 358 CA ALA A 23 82.906 -4.140 22.923 1.00 0.00 C ATOM 359 C ALA A 23 82.797 -3.587 21.500 1.00 0.00 C ATOM 360 O ALA A 23 83.787 -3.294 20.860 1.00 0.00 O ATOM 361 CB ALA A 23 82.739 -5.660 22.888 1.00 0.00 C ATOM 0 H ALA A 23 81.211 -4.224 24.218 1.00 0.00 H new ATOM 0 HA ALA A 23 83.880 -3.885 23.340 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.524 -6.098 22.272 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.808 -6.057 23.901 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.765 -5.909 22.466 1.00 0.00 H new ATOM 367 N SER A 24 81.599 -3.451 21.000 1.00 0.00 N ATOM 368 CA SER A 24 81.420 -2.928 19.616 1.00 0.00 C ATOM 369 C SER A 24 81.906 -1.479 19.528 1.00 0.00 C ATOM 370 O SER A 24 82.515 -1.081 18.554 1.00 0.00 O ATOM 371 CB SER A 24 79.939 -2.991 19.237 1.00 0.00 C ATOM 372 OG SER A 24 79.553 -4.352 19.083 1.00 0.00 O ATOM 0 H SER A 24 80.735 -3.680 21.491 1.00 0.00 H new ATOM 0 HA SER A 24 82.005 -3.539 18.929 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.334 -2.514 20.008 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.765 -2.444 18.310 1.00 0.00 H new ATOM 0 HG SER A 24 79.396 -4.749 19.965 1.00 0.00 H new ATOM 378 N ASP A 25 81.643 -0.684 20.529 1.00 0.00 N ATOM 379 CA ASP A 25 82.090 0.740 20.484 1.00 0.00 C ATOM 380 C ASP A 25 83.611 0.814 20.605 1.00 0.00 C ATOM 381 O ASP A 25 84.258 1.593 19.935 1.00 0.00 O ATOM 382 CB ASP A 25 81.455 1.517 21.637 1.00 0.00 C ATOM 383 CG ASP A 25 79.955 1.674 21.383 1.00 0.00 C ATOM 384 OD1 ASP A 25 79.554 1.564 20.236 1.00 0.00 O ATOM 385 OD2 ASP A 25 79.233 1.909 22.336 1.00 0.00 O ATOM 0 H ASP A 25 81.140 -0.956 21.374 1.00 0.00 H new ATOM 0 HA ASP A 25 81.781 1.176 19.534 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.622 0.993 22.578 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.923 2.497 21.730 1.00 0.00 H new ATOM 390 N PHE A 26 84.194 0.004 21.445 1.00 0.00 N ATOM 391 CA PHE A 26 85.681 0.028 21.594 1.00 0.00 C ATOM 392 C PHE A 26 86.297 -0.983 20.619 1.00 0.00 C ATOM 393 O PHE A 26 87.500 -1.094 20.503 1.00 0.00 O ATOM 394 CB PHE A 26 86.070 -0.331 23.033 1.00 0.00 C ATOM 395 CG PHE A 26 85.736 0.820 23.961 1.00 0.00 C ATOM 396 CD1 PHE A 26 86.690 1.819 24.206 1.00 0.00 C ATOM 397 CD2 PHE A 26 84.480 0.888 24.580 1.00 0.00 C ATOM 398 CE1 PHE A 26 86.388 2.883 25.063 1.00 0.00 C ATOM 399 CE2 PHE A 26 84.180 1.954 25.439 1.00 0.00 C ATOM 400 CZ PHE A 26 85.133 2.951 25.679 1.00 0.00 C ATOM 0 H PHE A 26 83.709 -0.673 22.034 1.00 0.00 H new ATOM 0 HA PHE A 26 86.054 1.028 21.371 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.540 -1.230 23.349 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.136 -0.555 23.086 1.00 0.00 H new ATOM 0 HD1 PHE A 26 87.659 1.767 23.732 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.744 0.119 24.395 1.00 0.00 H new ATOM 0 HE1 PHE A 26 87.123 3.652 25.249 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.213 2.006 25.916 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.900 3.773 26.340 1.00 0.00 H new ATOM 410 N ASN A 27 85.471 -1.706 19.905 1.00 0.00 N ATOM 411 CA ASN A 27 85.990 -2.699 18.916 1.00 0.00 C ATOM 412 C ASN A 27 86.994 -3.649 19.577 1.00 0.00 C ATOM 413 O ASN A 27 88.054 -3.904 19.040 1.00 0.00 O ATOM 414 CB ASN A 27 86.676 -1.958 17.765 1.00 0.00 C ATOM 415 CG ASN A 27 85.643 -1.126 16.999 1.00 0.00 C ATOM 416 OD1 ASN A 27 84.481 -1.650 16.719 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 85.899 0.010 16.651 1.00 0.00 N flip ATOM 0 H ASN A 27 84.454 -1.650 19.965 1.00 0.00 H new ATOM 0 HA ASN A 27 85.152 -3.285 18.538 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.463 -1.311 18.154 1.00 0.00 H new ATOM 0 HB3 ASN A 27 87.153 -2.672 17.093 1.00 0.00 H new ATOM 0 HD21 ASN A 27 86.808 0.418 16.871 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.205 0.555 16.139 1.00 0.00 H new ATOM 424 N LEU A 28 86.664 -4.184 20.729 1.00 0.00 N ATOM 425 CA LEU A 28 87.596 -5.131 21.430 1.00 0.00 C ATOM 426 C LEU A 28 86.919 -6.504 21.545 1.00 0.00 C ATOM 427 O LEU A 28 85.711 -6.591 21.609 1.00 0.00 O ATOM 428 CB LEU A 28 87.879 -4.606 22.839 1.00 0.00 C ATOM 429 CG LEU A 28 88.743 -3.334 22.769 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.634 -2.568 24.090 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.218 -3.701 22.518 1.00 0.00 C ATOM 0 H LEU A 28 85.786 -4.006 21.217 1.00 0.00 H new ATOM 0 HA LEU A 28 88.526 -5.215 20.868 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.941 -4.389 23.349 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.391 -5.370 23.424 1.00 0.00 H new ATOM 0 HG LEU A 28 88.385 -2.713 21.948 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.246 -1.667 24.040 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.594 -2.291 24.265 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.984 -3.199 24.907 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.816 -2.791 22.471 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.579 -4.331 23.330 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.303 -4.240 21.575 1.00 0.00 H new ATOM 443 N PRO A 29 87.679 -7.575 21.578 1.00 0.00 N ATOM 444 CA PRO A 29 87.103 -8.946 21.696 1.00 0.00 C ATOM 445 C PRO A 29 86.550 -9.211 23.111 1.00 0.00 C ATOM 446 O PRO A 29 86.993 -8.611 24.072 1.00 0.00 O ATOM 447 CB PRO A 29 88.291 -9.865 21.384 1.00 0.00 C ATOM 448 CG PRO A 29 89.493 -9.079 21.793 1.00 0.00 C ATOM 449 CD PRO A 29 89.153 -7.613 21.505 1.00 0.00 C ATOM 0 HA PRO A 29 86.257 -9.102 21.026 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.223 -10.802 21.937 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.326 -10.121 20.325 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.716 -9.228 22.849 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.374 -9.393 21.233 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.608 -6.945 22.237 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.514 -7.304 20.524 1.00 0.00 H new ATOM 457 N PRO A 30 85.590 -10.098 23.242 1.00 0.00 N ATOM 458 CA PRO A 30 84.978 -10.436 24.565 1.00 0.00 C ATOM 459 C PRO A 30 86.002 -10.551 25.708 1.00 0.00 C ATOM 460 O PRO A 30 85.660 -10.415 26.866 1.00 0.00 O ATOM 461 CB PRO A 30 84.319 -11.796 24.311 1.00 0.00 C ATOM 462 CG PRO A 30 83.970 -11.805 22.855 1.00 0.00 C ATOM 463 CD PRO A 30 84.973 -10.879 22.149 1.00 0.00 C ATOM 0 HA PRO A 30 84.293 -9.653 24.891 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.997 -12.613 24.557 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.430 -11.923 24.929 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.027 -12.816 22.451 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.949 -11.457 22.701 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.721 -11.450 21.598 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.475 -10.229 21.429 1.00 0.00 H new ATOM 471 N VAL A 31 87.240 -10.831 25.401 1.00 0.00 N ATOM 472 CA VAL A 31 88.256 -10.987 26.487 1.00 0.00 C ATOM 473 C VAL A 31 88.363 -9.695 27.296 1.00 0.00 C ATOM 474 O VAL A 31 88.261 -9.700 28.506 1.00 0.00 O ATOM 475 CB VAL A 31 89.622 -11.299 25.860 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.728 -11.243 26.926 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.590 -12.697 25.239 1.00 0.00 C ATOM 0 H VAL A 31 87.592 -10.958 24.452 1.00 0.00 H new ATOM 0 HA VAL A 31 87.951 -11.800 27.146 1.00 0.00 H new ATOM 0 HB VAL A 31 89.833 -10.555 25.092 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.690 -11.467 26.464 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.759 -10.246 27.366 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.520 -11.977 27.705 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.560 -12.919 24.793 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.368 -13.433 26.011 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.819 -12.736 24.469 1.00 0.00 H new ATOM 487 N VAL A 32 88.579 -8.592 26.643 1.00 0.00 N ATOM 488 CA VAL A 32 88.705 -7.310 27.386 1.00 0.00 C ATOM 489 C VAL A 32 87.337 -6.872 27.903 1.00 0.00 C ATOM 490 O VAL A 32 87.208 -6.398 29.011 1.00 0.00 O ATOM 491 CB VAL A 32 89.270 -6.243 26.452 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.333 -4.897 27.183 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.672 -6.660 26.001 1.00 0.00 C ATOM 0 H VAL A 32 88.674 -8.521 25.630 1.00 0.00 H new ATOM 0 HA VAL A 32 89.376 -7.446 28.235 1.00 0.00 H new ATOM 0 HB VAL A 32 88.625 -6.140 25.579 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.737 -4.138 26.513 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.331 -4.607 27.498 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.976 -4.988 28.058 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.080 -5.901 25.333 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.319 -6.763 26.872 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.617 -7.613 25.476 1.00 0.00 H new ATOM 503 N ALA A 33 86.314 -7.026 27.109 1.00 0.00 N ATOM 504 CA ALA A 33 84.960 -6.605 27.562 1.00 0.00 C ATOM 505 C ALA A 33 84.575 -7.386 28.822 1.00 0.00 C ATOM 506 O ALA A 33 84.207 -6.808 29.826 1.00 0.00 O ATOM 507 CB ALA A 33 83.951 -6.870 26.441 1.00 0.00 C ATOM 0 H ALA A 33 86.357 -7.423 26.171 1.00 0.00 H new ATOM 0 HA ALA A 33 84.961 -5.541 27.797 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.957 -6.564 26.766 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.234 -6.302 25.555 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.943 -7.934 26.203 1.00 0.00 H new ATOM 513 N LYS A 34 84.680 -8.684 28.797 1.00 0.00 N ATOM 514 CA LYS A 34 84.344 -9.471 30.018 1.00 0.00 C ATOM 515 C LYS A 34 85.261 -9.045 31.162 1.00 0.00 C ATOM 516 O LYS A 34 84.850 -8.942 32.303 1.00 0.00 O ATOM 517 CB LYS A 34 84.510 -10.971 29.760 1.00 0.00 C ATOM 518 CG LYS A 34 83.403 -11.458 28.822 1.00 0.00 C ATOM 519 CD LYS A 34 83.569 -12.958 28.563 1.00 0.00 C ATOM 520 CE LYS A 34 82.447 -13.439 27.641 1.00 0.00 C ATOM 521 NZ LYS A 34 82.700 -14.850 27.233 1.00 0.00 N ATOM 0 H LYS A 34 84.981 -9.232 27.991 1.00 0.00 H new ATOM 0 HA LYS A 34 83.304 -9.279 30.283 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.487 -11.168 29.319 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.469 -11.519 30.702 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.426 -11.261 29.264 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.443 -10.910 27.881 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.539 -13.155 28.107 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.542 -13.507 29.505 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.487 -13.365 28.152 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.389 -12.801 26.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 81.935 -15.173 26.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.608 -14.908 26.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.734 -15.455 28.078 1.00 0.00 H new ATOM 535 N GLU A 35 86.507 -8.818 30.867 1.00 0.00 N ATOM 536 CA GLU A 35 87.472 -8.417 31.929 1.00 0.00 C ATOM 537 C GLU A 35 87.033 -7.093 32.563 1.00 0.00 C ATOM 538 O GLU A 35 87.111 -6.920 33.763 1.00 0.00 O ATOM 539 CB GLU A 35 88.861 -8.244 31.310 1.00 0.00 C ATOM 540 CG GLU A 35 89.910 -8.076 32.418 1.00 0.00 C ATOM 541 CD GLU A 35 89.832 -6.662 33.003 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.307 -5.788 32.331 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.297 -6.477 34.116 1.00 0.00 O ATOM 0 H GLU A 35 86.903 -8.893 29.930 1.00 0.00 H new ATOM 0 HA GLU A 35 87.501 -9.190 32.697 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.105 -9.110 30.695 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.870 -7.374 30.654 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.743 -8.813 33.203 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.907 -8.258 32.017 1.00 0.00 H new ATOM 550 N ILE A 36 86.571 -6.153 31.781 1.00 0.00 N ATOM 551 CA ILE A 36 86.138 -4.860 32.380 1.00 0.00 C ATOM 552 C ILE A 36 84.992 -5.151 33.348 1.00 0.00 C ATOM 553 O ILE A 36 84.923 -4.606 34.432 1.00 0.00 O ATOM 554 CB ILE A 36 85.669 -3.903 31.277 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.860 -3.497 30.403 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.075 -2.649 31.914 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.353 -2.801 29.137 1.00 0.00 C ATOM 0 H ILE A 36 86.476 -6.224 30.768 1.00 0.00 H new ATOM 0 HA ILE A 36 86.967 -4.389 32.909 1.00 0.00 H new ATOM 0 HB ILE A 36 84.918 -4.403 30.665 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.520 -2.830 30.957 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.446 -4.377 30.137 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.741 -1.967 31.132 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.227 -2.926 32.541 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.832 -2.158 32.525 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.201 -2.513 28.516 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.710 -3.482 28.580 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.786 -1.912 29.413 1.00 0.00 H new ATOM 569 N VAL A 37 84.110 -6.037 32.972 1.00 0.00 N ATOM 570 CA VAL A 37 82.984 -6.402 33.876 1.00 0.00 C ATOM 571 C VAL A 37 83.556 -7.105 35.106 1.00 0.00 C ATOM 572 O VAL A 37 83.118 -6.897 36.222 1.00 0.00 O ATOM 573 CB VAL A 37 82.032 -7.357 33.140 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.014 -7.945 34.126 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.292 -6.590 32.043 1.00 0.00 C ATOM 0 H VAL A 37 84.121 -6.524 32.076 1.00 0.00 H new ATOM 0 HA VAL A 37 82.438 -5.508 34.176 1.00 0.00 H new ATOM 0 HB VAL A 37 82.610 -8.168 32.697 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.343 -8.621 33.596 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.540 -8.494 34.907 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.435 -7.138 34.576 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.616 -7.266 31.519 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.719 -5.778 32.490 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.013 -6.179 31.337 1.00 0.00 H new ATOM 585 N ALA A 38 84.534 -7.940 34.900 1.00 0.00 N ATOM 586 CA ALA A 38 85.151 -8.673 36.038 1.00 0.00 C ATOM 587 C ALA A 38 85.687 -7.677 37.065 1.00 0.00 C ATOM 588 O ALA A 38 85.904 -8.013 38.212 1.00 0.00 O ATOM 589 CB ALA A 38 86.299 -9.540 35.518 1.00 0.00 C ATOM 0 H ALA A 38 84.935 -8.148 33.985 1.00 0.00 H new ATOM 0 HA ALA A 38 84.400 -9.305 36.511 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.754 -10.079 36.349 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.915 -10.254 34.790 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.048 -8.906 35.044 1.00 0.00 H new ATOM 595 N SER A 39 85.903 -6.450 36.669 1.00 0.00 N ATOM 596 CA SER A 39 86.426 -5.440 37.635 1.00 0.00 C ATOM 597 C SER A 39 85.243 -4.717 38.277 1.00 0.00 C ATOM 598 O SER A 39 85.196 -4.531 39.475 1.00 0.00 O ATOM 599 CB SER A 39 87.304 -4.431 36.893 1.00 0.00 C ATOM 600 OG SER A 39 88.552 -5.038 36.577 1.00 0.00 O ATOM 0 H SER A 39 85.741 -6.105 35.723 1.00 0.00 H new ATOM 0 HA SER A 39 87.021 -5.933 38.404 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.807 -4.099 35.982 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.462 -3.546 37.510 1.00 0.00 H new ATOM 0 HG SER A 39 89.117 -4.395 36.100 1.00 0.00 H new ATOM 606 N CYS A 40 84.274 -4.334 37.493 1.00 0.00 N ATOM 607 CA CYS A 40 83.084 -3.653 38.071 1.00 0.00 C ATOM 608 C CYS A 40 82.433 -4.600 39.080 1.00 0.00 C ATOM 609 O CYS A 40 82.090 -5.716 38.754 1.00 0.00 O ATOM 610 CB CYS A 40 82.089 -3.336 36.955 1.00 0.00 C ATOM 611 SG CYS A 40 80.742 -2.325 37.620 1.00 0.00 S ATOM 0 H CYS A 40 84.255 -4.463 36.481 1.00 0.00 H new ATOM 0 HA CYS A 40 83.380 -2.725 38.561 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.591 -2.806 36.145 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.692 -4.259 36.534 1.00 0.00 H new ATOM 616 N ASP A 41 82.265 -4.179 40.300 1.00 0.00 N ATOM 617 CA ASP A 41 81.644 -5.085 41.307 1.00 0.00 C ATOM 618 C ASP A 41 80.130 -5.153 41.087 1.00 0.00 C ATOM 619 O ASP A 41 79.475 -6.080 41.519 1.00 0.00 O ATOM 620 CB ASP A 41 81.937 -4.564 42.717 1.00 0.00 C ATOM 621 CG ASP A 41 83.422 -4.756 43.028 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.027 -5.617 42.414 1.00 0.00 O ATOM 623 OD2 ASP A 41 83.927 -4.038 43.877 1.00 0.00 O ATOM 0 H ASP A 41 82.528 -3.255 40.643 1.00 0.00 H new ATOM 0 HA ASP A 41 82.065 -6.084 41.195 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.672 -3.509 42.790 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.329 -5.097 43.448 1.00 0.00 H new ATOM 628 N LYS A 42 79.562 -4.179 40.424 1.00 0.00 N ATOM 629 CA LYS A 42 78.089 -4.208 40.192 1.00 0.00 C ATOM 630 C LYS A 42 77.745 -5.169 39.044 1.00 0.00 C ATOM 631 O LYS A 42 76.841 -5.972 39.151 1.00 0.00 O ATOM 632 CB LYS A 42 77.602 -2.798 39.843 1.00 0.00 C ATOM 633 CG LYS A 42 77.717 -1.903 41.078 1.00 0.00 C ATOM 634 CD LYS A 42 77.452 -0.445 40.689 1.00 0.00 C ATOM 635 CE LYS A 42 76.022 -0.294 40.162 1.00 0.00 C ATOM 636 NZ LYS A 42 75.611 1.137 40.262 1.00 0.00 N ATOM 0 H LYS A 42 80.050 -3.372 40.037 1.00 0.00 H new ATOM 0 HA LYS A 42 77.595 -4.556 41.099 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.195 -2.388 39.026 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.568 -2.833 39.500 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.003 -2.222 41.837 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.711 -1.997 41.516 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.600 0.203 41.553 1.00 0.00 H new ATOM 0 HD3 LYS A 42 78.164 -0.128 39.927 1.00 0.00 H new ATOM 0 HE2 LYS A 42 75.966 -0.629 39.126 1.00 0.00 H new ATOM 0 HE3 LYS A 42 75.341 -0.921 40.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 74.640 1.245 39.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 75.650 1.441 41.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.256 1.724 39.695 1.00 0.00 H new ATOM 650 N CYS A 43 78.450 -5.087 37.943 1.00 0.00 N ATOM 651 CA CYS A 43 78.143 -5.991 36.793 1.00 0.00 C ATOM 652 C CYS A 43 78.739 -7.382 37.039 1.00 0.00 C ATOM 653 O CYS A 43 78.316 -8.357 36.450 1.00 0.00 O ATOM 654 CB CYS A 43 78.720 -5.404 35.501 1.00 0.00 C ATOM 655 SG CYS A 43 77.831 -3.884 35.077 1.00 0.00 S ATOM 0 H CYS A 43 79.221 -4.437 37.791 1.00 0.00 H new ATOM 0 HA CYS A 43 77.061 -6.081 36.697 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.782 -5.193 35.627 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.633 -6.127 34.690 1.00 0.00 H new ATOM 660 N GLN A 44 79.716 -7.490 37.901 1.00 0.00 N ATOM 661 CA GLN A 44 80.321 -8.826 38.166 1.00 0.00 C ATOM 662 C GLN A 44 79.389 -9.621 39.079 1.00 0.00 C ATOM 663 O GLN A 44 78.778 -10.587 38.668 1.00 0.00 O ATOM 664 CB GLN A 44 81.688 -8.658 38.839 1.00 0.00 C ATOM 665 CG GLN A 44 82.380 -10.021 38.926 1.00 0.00 C ATOM 666 CD GLN A 44 83.785 -9.867 39.526 1.00 0.00 C ATOM 667 OE1 GLN A 44 84.693 -10.584 39.156 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.002 -8.967 40.448 1.00 0.00 N ATOM 0 H GLN A 44 80.118 -6.716 38.429 1.00 0.00 H new ATOM 0 HA GLN A 44 80.457 -9.358 37.225 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.303 -7.961 38.270 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.566 -8.235 39.836 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.787 -10.699 39.540 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.448 -10.466 37.933 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.241 -8.364 40.761 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.932 -8.868 40.855 1.00 0.00 H new ATOM 677 N LEU A 45 79.264 -9.217 40.310 1.00 0.00 N ATOM 678 CA LEU A 45 78.358 -9.943 41.245 1.00 0.00 C ATOM 679 C LEU A 45 76.918 -9.487 40.980 1.00 0.00 C ATOM 680 O LEU A 45 76.685 -8.384 40.528 1.00 0.00 O ATOM 681 CB LEU A 45 78.740 -9.613 42.694 1.00 0.00 C ATOM 682 CG LEU A 45 80.188 -10.038 42.967 1.00 0.00 C ATOM 683 CD1 LEU A 45 80.562 -9.648 44.401 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.341 -11.561 42.790 1.00 0.00 C ATOM 0 H LEU A 45 79.750 -8.415 40.711 1.00 0.00 H new ATOM 0 HA LEU A 45 78.447 -11.018 41.090 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.627 -8.544 42.874 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.067 -10.125 43.381 1.00 0.00 H new ATOM 0 HG LEU A 45 80.849 -9.536 42.260 1.00 0.00 H new ATOM 0 HD11 LEU A 45 81.591 -9.947 44.603 1.00 0.00 H new ATOM 0 HD12 LEU A 45 80.468 -8.569 44.521 1.00 0.00 H new ATOM 0 HD13 LEU A 45 79.894 -10.151 45.101 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.374 -11.848 42.987 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.682 -12.077 43.488 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.076 -11.837 41.769 1.00 0.00 H new ATOM 696 N LYS A 46 75.950 -10.323 41.248 1.00 0.00 N ATOM 697 CA LYS A 46 74.535 -9.917 40.995 1.00 0.00 C ATOM 698 C LYS A 46 74.070 -8.973 42.102 1.00 0.00 C ATOM 699 O LYS A 46 72.989 -8.421 42.049 1.00 0.00 O ATOM 700 CB LYS A 46 73.633 -11.156 40.964 1.00 0.00 C ATOM 701 CG LYS A 46 73.647 -11.853 42.327 1.00 0.00 C ATOM 702 CD LYS A 46 72.940 -13.207 42.209 1.00 0.00 C ATOM 703 CE LYS A 46 72.828 -13.859 43.588 1.00 0.00 C ATOM 704 NZ LYS A 46 72.088 -12.954 44.512 1.00 0.00 N ATOM 0 H LYS A 46 76.075 -11.261 41.628 1.00 0.00 H new ATOM 0 HA LYS A 46 74.475 -9.408 40.033 1.00 0.00 H new ATOM 0 HB2 LYS A 46 72.614 -10.867 40.705 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.975 -11.845 40.191 1.00 0.00 H new ATOM 0 HG2 LYS A 46 74.673 -11.994 42.666 1.00 0.00 H new ATOM 0 HG3 LYS A 46 73.148 -11.232 43.071 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.947 -13.072 41.779 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.494 -13.858 41.533 1.00 0.00 H new ATOM 0 HE2 LYS A 46 72.311 -14.815 43.508 1.00 0.00 H new ATOM 0 HE3 LYS A 46 73.822 -14.066 43.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 71.661 -13.513 45.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 72.746 -12.258 44.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 71.340 -12.458 43.987 1.00 0.00 H new ATOM 718 N GLY A 47 74.881 -8.782 43.105 1.00 0.00 N ATOM 719 CA GLY A 47 74.493 -7.874 44.222 1.00 0.00 C ATOM 720 C GLY A 47 75.226 -8.304 45.490 1.00 0.00 C ATOM 721 O GLY A 47 76.382 -8.674 45.455 1.00 0.00 O ATOM 0 H GLY A 47 75.799 -9.217 43.200 1.00 0.00 H new ATOM 0 HA2 GLY A 47 74.744 -6.843 43.973 1.00 0.00 H new ATOM 0 HA3 GLY A 47 73.415 -7.910 44.380 1.00 0.00 H new ATOM 725 N GLU A 48 74.565 -8.263 46.613 1.00 0.00 N ATOM 726 CA GLU A 48 75.227 -8.675 47.880 1.00 0.00 C ATOM 727 C GLU A 48 75.176 -10.199 48.000 1.00 0.00 C ATOM 728 O GLU A 48 74.218 -10.829 47.594 1.00 0.00 O ATOM 729 CB GLU A 48 74.493 -8.044 49.066 1.00 0.00 C ATOM 730 CG GLU A 48 73.027 -8.491 49.067 1.00 0.00 C ATOM 731 CD GLU A 48 72.285 -7.806 50.216 1.00 0.00 C ATOM 732 OE1 GLU A 48 72.848 -7.729 51.295 1.00 0.00 O ATOM 733 OE2 GLU A 48 71.166 -7.371 49.997 1.00 0.00 O ATOM 0 H GLU A 48 73.595 -7.962 46.707 1.00 0.00 H new ATOM 0 HA GLU A 48 76.265 -8.342 47.878 1.00 0.00 H new ATOM 0 HB2 GLU A 48 74.973 -8.337 50.000 1.00 0.00 H new ATOM 0 HB3 GLU A 48 74.551 -6.957 49.005 1.00 0.00 H new ATOM 0 HG2 GLU A 48 72.558 -8.239 48.116 1.00 0.00 H new ATOM 0 HG3 GLU A 48 72.966 -9.574 49.175 1.00 0.00 H new ATOM 740 N ALA A 49 76.191 -10.795 48.558 1.00 0.00 N ATOM 741 CA ALA A 49 76.188 -12.276 48.705 1.00 0.00 C ATOM 742 C ALA A 49 75.194 -12.668 49.798 1.00 0.00 C ATOM 743 O ALA A 49 74.054 -12.987 49.529 1.00 0.00 O ATOM 744 CB ALA A 49 77.591 -12.754 49.085 1.00 0.00 C ATOM 0 H ALA A 49 77.020 -10.323 48.918 1.00 0.00 H new ATOM 0 HA ALA A 49 75.895 -12.740 47.763 1.00 0.00 H new ATOM 0 HB1 ALA A 49 77.589 -13.839 49.193 1.00 0.00 H new ATOM 0 HB2 ALA A 49 78.297 -12.468 48.305 1.00 0.00 H new ATOM 0 HB3 ALA A 49 77.888 -12.296 50.028 1.00 0.00 H new ATOM 750 N MET A 50 75.615 -12.641 51.032 1.00 0.00 N ATOM 751 CA MET A 50 74.688 -13.005 52.141 1.00 0.00 C ATOM 752 C MET A 50 73.764 -11.822 52.444 1.00 0.00 C ATOM 753 O MET A 50 74.116 -10.678 52.236 1.00 0.00 O ATOM 754 CB MET A 50 75.492 -13.351 53.393 1.00 0.00 C ATOM 755 CG MET A 50 76.439 -12.197 53.731 1.00 0.00 C ATOM 756 SD MET A 50 77.384 -12.608 55.216 1.00 0.00 S ATOM 757 CE MET A 50 78.446 -11.144 55.211 1.00 0.00 C ATOM 0 H MET A 50 76.559 -12.383 51.321 1.00 0.00 H new ATOM 0 HA MET A 50 74.093 -13.868 51.842 1.00 0.00 H new ATOM 0 HB2 MET A 50 74.819 -13.539 54.229 1.00 0.00 H new ATOM 0 HB3 MET A 50 76.061 -14.266 53.230 1.00 0.00 H new ATOM 0 HG2 MET A 50 77.115 -12.011 52.897 1.00 0.00 H new ATOM 0 HG3 MET A 50 75.870 -11.281 53.891 1.00 0.00 H new ATOM 0 HE1 MET A 50 79.127 -11.186 56.061 1.00 0.00 H new ATOM 0 HE2 MET A 50 79.021 -11.115 54.286 1.00 0.00 H new ATOM 0 HE3 MET A 50 77.830 -10.248 55.284 1.00 0.00 H new ATOM 767 N HIS A 51 72.583 -12.089 52.936 1.00 0.00 N ATOM 768 CA HIS A 51 71.632 -10.982 53.251 1.00 0.00 C ATOM 769 C HIS A 51 71.934 -10.428 54.641 1.00 0.00 C ATOM 770 O HIS A 51 72.290 -11.157 55.546 1.00 0.00 O ATOM 771 CB HIS A 51 70.203 -11.524 53.220 1.00 0.00 C ATOM 772 CG HIS A 51 69.901 -12.031 51.840 1.00 0.00 C ATOM 773 ND1 HIS A 51 70.634 -13.055 51.258 1.00 0.00 N ATOM 774 CD2 HIS A 51 68.957 -11.668 50.911 1.00 0.00 C ATOM 775 CE1 HIS A 51 70.126 -13.271 50.031 1.00 0.00 C ATOM 776 NE2 HIS A 51 69.104 -12.454 49.773 1.00 0.00 N ATOM 0 H HIS A 51 72.235 -13.027 53.134 1.00 0.00 H new ATOM 0 HA HIS A 51 71.741 -10.186 52.514 1.00 0.00 H new ATOM 0 HB2 HIS A 51 70.089 -12.326 53.949 1.00 0.00 H new ATOM 0 HB3 HIS A 51 69.497 -10.740 53.496 1.00 0.00 H new ATOM 0 HD2 HIS A 51 68.216 -10.893 51.043 1.00 0.00 H new ATOM 0 HE1 HIS A 51 70.499 -14.013 49.341 1.00 0.00 H new ATOM 0 HE2 HIS A 51 68.547 -12.414 48.920 1.00 0.00 H new ATOM 785 N GLY A 52 71.796 -9.142 54.817 1.00 0.00 N ATOM 786 CA GLY A 52 72.074 -8.533 56.149 1.00 0.00 C ATOM 787 C GLY A 52 70.795 -8.532 56.984 1.00 0.00 C ATOM 788 O GLY A 52 70.837 -8.603 58.194 1.00 0.00 O ATOM 0 H GLY A 52 71.502 -8.485 54.094 1.00 0.00 H new ATOM 0 HA2 GLY A 52 72.855 -9.094 56.662 1.00 0.00 H new ATOM 0 HA3 GLY A 52 72.442 -7.514 56.026 1.00 0.00 H new ATOM 792 N GLN A 53 69.654 -8.454 56.350 1.00 0.00 N ATOM 793 CA GLN A 53 68.368 -8.447 57.112 1.00 0.00 C ATOM 794 C GLN A 53 67.279 -9.111 56.266 1.00 0.00 C ATOM 795 O GLN A 53 67.054 -8.748 55.128 1.00 0.00 O ATOM 796 CB GLN A 53 67.939 -7.003 57.413 1.00 0.00 C ATOM 797 CG GLN A 53 68.948 -6.312 58.342 1.00 0.00 C ATOM 798 CD GLN A 53 69.050 -7.071 59.668 1.00 0.00 C ATOM 799 OE1 GLN A 53 70.229 -7.355 60.154 1.00 0.00 O flip ATOM 800 NE2 GLN A 53 68.049 -7.404 60.270 1.00 0.00 N flip ATOM 0 H GLN A 53 69.556 -8.395 55.336 1.00 0.00 H new ATOM 0 HA GLN A 53 68.509 -8.988 58.048 1.00 0.00 H new ATOM 0 HB2 GLN A 53 67.854 -6.443 56.482 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.952 -7.002 57.876 1.00 0.00 H new ATOM 0 HG2 GLN A 53 69.926 -6.270 57.862 1.00 0.00 H new ATOM 0 HG3 GLN A 53 68.639 -5.283 58.526 1.00 0.00 H new ATOM 0 HE21 GLN A 53 67.128 -7.182 59.891 1.00 0.00 H new ATOM 0 HE22 GLN A 53 68.129 -7.905 61.155 1.00 0.00 H new ATOM 809 N VAL A 54 66.602 -10.082 56.819 1.00 0.00 N ATOM 810 CA VAL A 54 65.521 -10.779 56.061 1.00 0.00 C ATOM 811 C VAL A 54 64.196 -10.055 56.307 1.00 0.00 C ATOM 812 O VAL A 54 63.688 -9.364 55.449 1.00 0.00 O ATOM 813 CB VAL A 54 65.422 -12.228 56.544 1.00 0.00 C ATOM 814 CG1 VAL A 54 64.183 -12.897 55.942 1.00 0.00 C ATOM 815 CG2 VAL A 54 66.671 -12.993 56.106 1.00 0.00 C ATOM 0 H VAL A 54 66.752 -10.424 57.768 1.00 0.00 H new ATOM 0 HA VAL A 54 65.745 -10.772 54.994 1.00 0.00 H new ATOM 0 HB VAL A 54 65.343 -12.238 57.631 1.00 0.00 H new ATOM 0 HG11 VAL A 54 64.120 -13.928 56.291 1.00 0.00 H new ATOM 0 HG12 VAL A 54 63.290 -12.354 56.251 1.00 0.00 H new ATOM 0 HG13 VAL A 54 64.256 -12.886 54.854 1.00 0.00 H new ATOM 0 HG21 VAL A 54 66.604 -14.026 56.448 1.00 0.00 H new ATOM 0 HG22 VAL A 54 66.746 -12.975 55.019 1.00 0.00 H new ATOM 0 HG23 VAL A 54 67.555 -12.524 56.538 1.00 0.00 H new ATOM 825 N ASP A 55 63.635 -10.206 57.474 1.00 0.00 N ATOM 826 CA ASP A 55 62.344 -9.520 57.782 1.00 0.00 C ATOM 827 C ASP A 55 62.628 -8.133 58.367 1.00 0.00 C ATOM 828 O ASP A 55 62.862 -7.220 57.592 1.00 0.00 O ATOM 829 CB ASP A 55 61.557 -10.347 58.798 1.00 0.00 C ATOM 830 CG ASP A 55 61.036 -11.620 58.127 1.00 0.00 C ATOM 831 OD1 ASP A 55 60.962 -11.634 56.909 1.00 0.00 O ATOM 832 OD2 ASP A 55 60.720 -12.556 58.841 1.00 0.00 O ATOM 833 OXT ASP A 55 62.605 -8.008 59.581 1.00 0.00 O ATOM 0 H ASP A 55 64.014 -10.775 58.231 1.00 0.00 H new ATOM 0 HA ASP A 55 61.762 -9.417 56.866 1.00 0.00 H new ATOM 0 HB2 ASP A 55 62.194 -10.604 59.645 1.00 0.00 H new ATOM 0 HB3 ASP A 55 60.724 -9.763 59.191 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 95.899 -11.616 22.522 1.00 0.00 N ATOM 840 CA PHE B 1 94.975 -12.733 22.866 1.00 0.00 C ATOM 841 C PHE B 1 95.510 -14.029 22.249 1.00 0.00 C ATOM 842 O PHE B 1 95.444 -14.236 21.054 1.00 0.00 O ATOM 843 CB PHE B 1 93.578 -12.423 22.323 1.00 0.00 C ATOM 844 CG PHE B 1 93.252 -10.962 22.571 1.00 0.00 C ATOM 845 CD1 PHE B 1 93.028 -10.502 23.877 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.175 -10.066 21.495 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.727 -9.150 24.104 1.00 0.00 C ATOM 848 CE2 PHE B 1 92.873 -8.716 21.723 1.00 0.00 C ATOM 849 CZ PHE B 1 92.649 -8.259 23.027 1.00 0.00 C ATOM 0 H1 PHE B 1 95.388 -10.712 22.579 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.696 -11.606 23.191 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.260 -11.749 21.556 1.00 0.00 H new ATOM 0 HA PHE B 1 94.913 -12.849 23.948 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.534 -12.640 21.256 1.00 0.00 H new ATOM 0 HB3 PHE B 1 92.838 -13.059 22.808 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.087 -11.189 24.709 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.349 -10.417 20.488 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.555 -8.797 25.110 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.813 -8.028 20.892 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.416 -7.219 23.202 1.00 0.00 H new ATOM 861 N LEU B 2 96.067 -14.895 23.062 1.00 0.00 N ATOM 862 CA LEU B 2 96.642 -16.175 22.535 1.00 0.00 C ATOM 863 C LEU B 2 95.682 -17.338 22.750 1.00 0.00 C ATOM 864 O LEU B 2 95.096 -17.486 23.795 1.00 0.00 O ATOM 865 CB LEU B 2 97.947 -16.484 23.269 1.00 0.00 C ATOM 866 CG LEU B 2 98.949 -15.341 23.077 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.204 -15.637 23.905 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.330 -15.210 21.588 1.00 0.00 C ATOM 0 H LEU B 2 96.149 -14.770 24.071 1.00 0.00 H new ATOM 0 HA LEU B 2 96.818 -16.052 21.466 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.749 -16.629 24.331 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.371 -17.415 22.894 1.00 0.00 H new ATOM 0 HG LEU B 2 98.498 -14.405 23.405 1.00 0.00 H new ATOM 0 HD11 LEU B 2 100.924 -14.829 23.775 1.00 0.00 H new ATOM 0 HD12 LEU B 2 99.934 -15.718 24.958 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.647 -16.575 23.571 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.042 -14.394 21.465 1.00 0.00 H new ATOM 0 HD22 LEU B 2 99.781 -16.141 21.245 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.436 -15.002 21.001 1.00 0.00 H new ATOM 880 N ASP B 3 95.551 -18.191 21.773 1.00 0.00 N ATOM 881 CA ASP B 3 94.659 -19.371 21.932 1.00 0.00 C ATOM 882 C ASP B 3 95.182 -20.192 23.109 1.00 0.00 C ATOM 883 O ASP B 3 94.426 -20.744 23.883 1.00 0.00 O ATOM 884 CB ASP B 3 94.681 -20.224 20.661 1.00 0.00 C ATOM 885 CG ASP B 3 93.974 -19.476 19.530 1.00 0.00 C ATOM 886 OD1 ASP B 3 93.219 -18.565 19.828 1.00 0.00 O ATOM 887 OD2 ASP B 3 94.207 -19.822 18.384 1.00 0.00 O ATOM 0 H ASP B 3 96.023 -18.121 20.872 1.00 0.00 H new ATOM 0 HA ASP B 3 93.634 -19.048 22.111 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.710 -20.445 20.377 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.188 -21.179 20.843 1.00 0.00 H new ATOM 892 N GLY B 4 96.482 -20.260 23.259 1.00 0.00 N ATOM 893 CA GLY B 4 97.071 -21.025 24.397 1.00 0.00 C ATOM 894 C GLY B 4 96.366 -20.611 25.692 1.00 0.00 C ATOM 895 O GLY B 4 96.493 -21.248 26.720 1.00 0.00 O ATOM 0 H GLY B 4 97.161 -19.817 22.640 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.955 -22.096 24.231 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.140 -20.827 24.470 1.00 0.00 H new ATOM 899 N ILE B 5 95.604 -19.554 25.638 1.00 0.00 N ATOM 900 CA ILE B 5 94.859 -19.096 26.838 1.00 0.00 C ATOM 901 C ILE B 5 93.921 -20.227 27.274 1.00 0.00 C ATOM 902 O ILE B 5 93.701 -20.451 28.446 1.00 0.00 O ATOM 903 CB ILE B 5 94.070 -17.825 26.473 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.022 -16.624 26.465 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.944 -17.575 27.483 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.343 -15.427 25.790 1.00 0.00 C ATOM 0 H ILE B 5 95.466 -18.984 24.804 1.00 0.00 H new ATOM 0 HA ILE B 5 95.533 -18.857 27.661 1.00 0.00 H new ATOM 0 HB ILE B 5 93.628 -17.959 25.486 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.304 -16.366 27.486 1.00 0.00 H new ATOM 0 HG13 ILE B 5 95.940 -16.879 25.935 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.400 -16.672 27.205 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.261 -18.424 27.484 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.369 -17.450 28.479 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.024 -14.576 25.787 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.083 -15.687 24.764 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.438 -15.165 26.338 1.00 0.00 H new ATOM 918 N ASP B 6 93.383 -20.946 26.330 1.00 0.00 N ATOM 919 CA ASP B 6 92.473 -22.075 26.672 1.00 0.00 C ATOM 920 C ASP B 6 93.237 -23.097 27.519 1.00 0.00 C ATOM 921 O ASP B 6 92.692 -23.697 28.425 1.00 0.00 O ATOM 922 CB ASP B 6 91.975 -22.738 25.383 1.00 0.00 C ATOM 923 CG ASP B 6 90.993 -23.860 25.729 1.00 0.00 C ATOM 924 OD1 ASP B 6 91.003 -24.302 26.864 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.244 -24.255 24.849 1.00 0.00 O ATOM 0 H ASP B 6 93.535 -20.800 25.332 1.00 0.00 H new ATOM 0 HA ASP B 6 91.618 -21.702 27.236 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.489 -21.999 24.746 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.817 -23.139 24.820 1.00 0.00 H new ATOM 930 N LYS B 7 94.494 -23.308 27.227 1.00 0.00 N ATOM 931 CA LYS B 7 95.290 -24.296 28.012 1.00 0.00 C ATOM 932 C LYS B 7 95.378 -23.835 29.468 1.00 0.00 C ATOM 933 O LYS B 7 95.349 -24.631 30.384 1.00 0.00 O ATOM 934 CB LYS B 7 96.711 -24.404 27.442 1.00 0.00 C ATOM 935 CG LYS B 7 96.659 -24.912 26.000 1.00 0.00 C ATOM 936 CD LYS B 7 98.080 -25.016 25.442 1.00 0.00 C ATOM 937 CE LYS B 7 98.031 -25.525 24.000 1.00 0.00 C ATOM 938 NZ LYS B 7 97.787 -26.992 23.997 1.00 0.00 N ATOM 0 H LYS B 7 95.003 -22.838 26.478 1.00 0.00 H new ATOM 0 HA LYS B 7 94.800 -25.268 27.953 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.200 -23.431 27.476 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.307 -25.082 28.054 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.171 -25.886 25.964 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.065 -24.235 25.386 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.567 -24.042 25.478 1.00 0.00 H new ATOM 0 HD3 LYS B 7 98.674 -25.692 26.057 1.00 0.00 H new ATOM 0 HE2 LYS B 7 97.241 -25.014 23.450 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.969 -25.301 23.493 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 97.855 -27.353 23.024 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 98.498 -27.463 24.592 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 96.837 -27.187 24.373 1.00 0.00 H new ATOM 952 N ALA B 8 95.494 -22.554 29.687 1.00 0.00 N ATOM 953 CA ALA B 8 95.596 -22.042 31.081 1.00 0.00 C ATOM 954 C ALA B 8 94.351 -22.446 31.873 1.00 0.00 C ATOM 955 O ALA B 8 94.423 -22.713 33.056 1.00 0.00 O ATOM 956 CB ALA B 8 95.715 -20.517 31.057 1.00 0.00 C ATOM 0 H ALA B 8 95.522 -21.840 28.959 1.00 0.00 H new ATOM 0 HA ALA B 8 96.479 -22.469 31.558 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.790 -20.142 32.078 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.606 -20.230 30.499 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.834 -20.091 30.577 1.00 0.00 H new ATOM 962 N GLN B 9 93.210 -22.494 31.241 1.00 0.00 N ATOM 963 CA GLN B 9 91.973 -22.883 31.978 1.00 0.00 C ATOM 964 C GLN B 9 92.133 -24.291 32.558 1.00 0.00 C ATOM 965 O GLN B 9 91.744 -24.558 33.678 1.00 0.00 O ATOM 966 CB GLN B 9 90.785 -22.857 31.015 1.00 0.00 C ATOM 967 CG GLN B 9 90.466 -21.409 30.642 1.00 0.00 C ATOM 968 CD GLN B 9 89.432 -21.388 29.515 1.00 0.00 C ATOM 969 OE1 GLN B 9 88.655 -22.309 29.370 1.00 0.00 O ATOM 970 NE2 GLN B 9 89.394 -20.366 28.705 1.00 0.00 N ATOM 0 H GLN B 9 93.080 -22.282 30.252 1.00 0.00 H new ATOM 0 HA GLN B 9 91.801 -22.180 32.793 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.016 -23.433 30.119 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.916 -23.325 31.479 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.083 -20.874 31.511 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.374 -20.895 30.326 1.00 0.00 H new ATOM 0 HE21 GLN B 9 90.048 -19.593 28.828 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.710 -20.340 27.948 1.00 0.00 H new ATOM 979 N GLU B 10 92.710 -25.190 31.808 1.00 0.00 N ATOM 980 CA GLU B 10 92.910 -26.580 32.312 1.00 0.00 C ATOM 981 C GLU B 10 93.817 -26.565 33.546 1.00 0.00 C ATOM 982 O GLU B 10 93.613 -27.302 34.489 1.00 0.00 O ATOM 983 CB GLU B 10 93.549 -27.434 31.217 1.00 0.00 C ATOM 984 CG GLU B 10 92.533 -27.667 30.098 1.00 0.00 C ATOM 985 CD GLU B 10 93.177 -28.490 28.981 1.00 0.00 C ATOM 986 OE1 GLU B 10 93.851 -27.902 28.152 1.00 0.00 O ATOM 987 OE2 GLU B 10 92.984 -29.695 28.972 1.00 0.00 O ATOM 0 H GLU B 10 93.054 -25.021 30.863 1.00 0.00 H new ATOM 0 HA GLU B 10 91.943 -27.002 32.586 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.434 -26.936 30.822 1.00 0.00 H new ATOM 0 HB3 GLU B 10 93.878 -28.388 31.629 1.00 0.00 H new ATOM 0 HG2 GLU B 10 91.659 -28.188 30.489 1.00 0.00 H new ATOM 0 HG3 GLU B 10 92.185 -26.712 29.705 1.00 0.00 H new ATOM 994 N GLU B 11 94.838 -25.749 33.534 1.00 0.00 N ATOM 995 CA GLU B 11 95.783 -25.700 34.691 1.00 0.00 C ATOM 996 C GLU B 11 95.368 -24.608 35.681 1.00 0.00 C ATOM 997 O GLU B 11 96.066 -24.335 36.636 1.00 0.00 O ATOM 998 CB GLU B 11 97.192 -25.389 34.178 1.00 0.00 C ATOM 999 CG GLU B 11 97.654 -26.501 33.233 1.00 0.00 C ATOM 1000 CD GLU B 11 97.873 -27.789 34.028 1.00 0.00 C ATOM 1001 OE1 GLU B 11 98.606 -27.744 35.002 1.00 0.00 O ATOM 1002 OE2 GLU B 11 97.306 -28.800 33.648 1.00 0.00 O ATOM 0 H GLU B 11 95.060 -25.111 32.770 1.00 0.00 H new ATOM 0 HA GLU B 11 95.765 -26.666 35.197 1.00 0.00 H new ATOM 0 HB2 GLU B 11 97.197 -24.431 33.658 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.883 -25.300 35.016 1.00 0.00 H new ATOM 0 HG2 GLU B 11 96.909 -26.664 32.455 1.00 0.00 H new ATOM 0 HG3 GLU B 11 98.578 -26.208 32.734 1.00 0.00 H new ATOM 1009 N CYS B 12 94.242 -23.977 35.474 1.00 0.00 N ATOM 1010 CA CYS B 12 93.814 -22.908 36.427 1.00 0.00 C ATOM 1011 C CYS B 12 93.921 -23.445 37.856 1.00 0.00 C ATOM 1012 O CYS B 12 94.364 -22.766 38.760 1.00 0.00 O ATOM 1013 CB CYS B 12 92.364 -22.509 36.143 1.00 0.00 C ATOM 1014 SG CYS B 12 91.938 -21.054 37.133 1.00 0.00 S ATOM 0 H CYS B 12 93.606 -24.152 34.696 1.00 0.00 H new ATOM 0 HA CYS B 12 94.455 -22.035 36.307 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.236 -22.292 35.083 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.694 -23.335 36.382 1.00 0.00 H new ATOM 1019 N GLU B 13 93.517 -24.667 38.058 1.00 0.00 N ATOM 1020 CA GLU B 13 93.588 -25.269 39.419 1.00 0.00 C ATOM 1021 C GLU B 13 95.047 -25.320 39.888 1.00 0.00 C ATOM 1022 O GLU B 13 95.346 -25.091 41.043 1.00 0.00 O ATOM 1023 CB GLU B 13 93.014 -26.688 39.379 1.00 0.00 C ATOM 1024 CG GLU B 13 91.499 -26.626 39.152 1.00 0.00 C ATOM 1025 CD GLU B 13 90.814 -25.998 40.367 1.00 0.00 C ATOM 1026 OE1 GLU B 13 90.983 -26.524 41.456 1.00 0.00 O ATOM 1027 OE2 GLU B 13 90.138 -24.998 40.190 1.00 0.00 O ATOM 0 H GLU B 13 93.138 -25.279 37.335 1.00 0.00 H new ATOM 0 HA GLU B 13 93.009 -24.660 40.113 1.00 0.00 H new ATOM 0 HB2 GLU B 13 93.488 -27.260 38.581 1.00 0.00 H new ATOM 0 HB3 GLU B 13 93.231 -27.205 40.314 1.00 0.00 H new ATOM 0 HG2 GLU B 13 91.280 -26.042 38.258 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.107 -27.629 38.981 1.00 0.00 H new ATOM 1034 N LYS B 14 95.958 -25.634 39.006 1.00 0.00 N ATOM 1035 CA LYS B 14 97.389 -25.718 39.412 1.00 0.00 C ATOM 1036 C LYS B 14 97.866 -24.361 39.939 1.00 0.00 C ATOM 1037 O LYS B 14 98.605 -24.290 40.902 1.00 0.00 O ATOM 1038 CB LYS B 14 98.242 -26.139 38.213 1.00 0.00 C ATOM 1039 CG LYS B 14 99.685 -26.363 38.668 1.00 0.00 C ATOM 1040 CD LYS B 14 100.543 -26.785 37.473 1.00 0.00 C ATOM 1041 CE LYS B 14 101.982 -27.011 37.938 1.00 0.00 C ATOM 1042 NZ LYS B 14 102.831 -27.372 36.770 1.00 0.00 N ATOM 0 H LYS B 14 95.772 -25.836 38.023 1.00 0.00 H new ATOM 0 HA LYS B 14 97.491 -26.460 40.204 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.843 -27.052 37.772 1.00 0.00 H new ATOM 0 HB3 LYS B 14 98.208 -25.370 37.441 1.00 0.00 H new ATOM 0 HG2 LYS B 14 100.083 -25.449 39.109 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.718 -27.131 39.441 1.00 0.00 H new ATOM 0 HD2 LYS B 14 100.145 -27.697 37.029 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.515 -26.016 36.701 1.00 0.00 H new ATOM 0 HE2 LYS B 14 102.367 -26.110 38.416 1.00 0.00 H new ATOM 0 HE3 LYS B 14 102.014 -27.806 38.683 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 103.810 -27.526 37.086 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 102.468 -28.243 36.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 102.810 -26.600 36.073 1.00 0.00 H new ATOM 1056 N TYR B 15 97.461 -23.283 39.319 1.00 0.00 N ATOM 1057 CA TYR B 15 97.904 -21.937 39.795 1.00 0.00 C ATOM 1058 C TYR B 15 96.945 -21.430 40.875 1.00 0.00 C ATOM 1059 O TYR B 15 97.236 -20.482 41.575 1.00 0.00 O ATOM 1060 CB TYR B 15 97.921 -20.959 38.618 1.00 0.00 C ATOM 1061 CG TYR B 15 98.988 -21.393 37.642 1.00 0.00 C ATOM 1062 CD1 TYR B 15 100.337 -21.182 37.948 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.633 -22.016 36.440 1.00 0.00 C ATOM 1064 CE1 TYR B 15 101.330 -21.591 37.053 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.627 -22.427 35.545 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.976 -22.214 35.851 1.00 0.00 C ATOM 1067 OH TYR B 15 101.954 -22.618 34.968 1.00 0.00 O ATOM 0 H TYR B 15 96.845 -23.275 38.506 1.00 0.00 H new ATOM 0 HA TYR B 15 98.907 -22.014 40.215 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.947 -20.940 38.129 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.121 -19.947 38.971 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.611 -20.703 38.876 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.592 -22.179 36.203 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.371 -21.426 37.289 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.353 -22.909 34.618 1.00 0.00 H new ATOM 0 HH TYR B 15 102.805 -22.193 35.205 1.00 0.00 H new ATOM 1077 N HIS B 16 95.812 -22.064 41.021 1.00 0.00 N ATOM 1078 CA HIS B 16 94.838 -21.635 42.068 1.00 0.00 C ATOM 1079 C HIS B 16 94.429 -20.178 41.844 1.00 0.00 C ATOM 1080 O HIS B 16 94.198 -19.750 40.732 1.00 0.00 O ATOM 1081 CB HIS B 16 95.475 -21.789 43.453 1.00 0.00 C ATOM 1082 CG HIS B 16 96.103 -23.151 43.559 1.00 0.00 C ATOM 1083 ND1 HIS B 16 97.427 -23.387 43.210 1.00 0.00 N ATOM 1084 CD2 HIS B 16 95.602 -24.363 43.967 1.00 0.00 C ATOM 1085 CE1 HIS B 16 97.673 -24.693 43.411 1.00 0.00 C ATOM 1086 NE2 HIS B 16 96.595 -25.331 43.872 1.00 0.00 N ATOM 0 H HIS B 16 95.518 -22.863 40.459 1.00 0.00 H new ATOM 0 HA HIS B 16 93.949 -22.262 42.006 1.00 0.00 H new ATOM 0 HB2 HIS B 16 96.227 -21.015 43.609 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.721 -21.662 44.230 1.00 0.00 H new ATOM 0 HD2 HIS B 16 94.592 -24.537 44.309 1.00 0.00 H new ATOM 0 HE1 HIS B 16 98.625 -25.167 43.223 1.00 0.00 H new ATOM 0 HE2 HIS B 16 96.516 -26.321 44.105 1.00 0.00 H new ATOM 1095 N SER B 17 94.320 -19.418 42.902 1.00 0.00 N ATOM 1096 CA SER B 17 93.905 -17.990 42.766 1.00 0.00 C ATOM 1097 C SER B 17 95.114 -17.111 42.433 1.00 0.00 C ATOM 1098 O SER B 17 94.984 -15.917 42.243 1.00 0.00 O ATOM 1099 CB SER B 17 93.281 -17.518 44.079 1.00 0.00 C ATOM 1100 OG SER B 17 93.250 -16.097 44.099 1.00 0.00 O ATOM 0 H SER B 17 94.501 -19.726 43.858 1.00 0.00 H new ATOM 0 HA SER B 17 93.178 -17.909 41.958 1.00 0.00 H new ATOM 0 HB2 SER B 17 92.272 -17.917 44.180 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.858 -17.893 44.925 1.00 0.00 H new ATOM 0 HG SER B 17 93.546 -15.751 43.231 1.00 0.00 H new ATOM 1106 N ASN B 18 96.288 -17.679 42.359 1.00 0.00 N ATOM 1107 CA ASN B 18 97.489 -16.853 42.037 1.00 0.00 C ATOM 1108 C ASN B 18 97.553 -16.614 40.529 1.00 0.00 C ATOM 1109 O ASN B 18 98.243 -17.308 39.808 1.00 0.00 O ATOM 1110 CB ASN B 18 98.753 -17.588 42.485 1.00 0.00 C ATOM 1111 CG ASN B 18 98.872 -17.529 44.008 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.278 -16.684 44.644 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.624 -18.400 44.625 1.00 0.00 N ATOM 0 H ASN B 18 96.467 -18.672 42.506 1.00 0.00 H new ATOM 0 HA ASN B 18 97.419 -15.898 42.557 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.718 -18.626 42.153 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.631 -17.135 42.024 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.711 -18.369 45.641 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.124 -19.111 44.091 1.00 0.00 H new ATOM 1120 N TRP B 19 96.835 -15.638 40.045 1.00 0.00 N ATOM 1121 CA TRP B 19 96.849 -15.354 38.585 1.00 0.00 C ATOM 1122 C TRP B 19 98.201 -14.764 38.166 1.00 0.00 C ATOM 1123 O TRP B 19 98.633 -14.926 37.043 1.00 0.00 O ATOM 1124 CB TRP B 19 95.722 -14.377 38.242 1.00 0.00 C ATOM 1125 CG TRP B 19 95.849 -13.132 39.058 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.270 -12.935 40.265 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.578 -11.909 38.748 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.592 -11.667 40.713 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.396 -10.997 39.814 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.369 -11.506 37.657 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 96.977 -9.730 39.800 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 97.955 -10.228 37.639 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.758 -9.342 38.710 1.00 0.00 C ATOM 0 H TRP B 19 96.238 -15.025 40.600 1.00 0.00 H new ATOM 0 HA TRP B 19 96.697 -16.287 38.042 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.756 -14.130 37.181 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.756 -14.846 38.429 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.657 -13.651 40.792 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.274 -11.275 41.599 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.527 -12.181 36.829 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 96.824 -9.053 40.627 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.560 -9.926 36.797 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.210 -8.361 38.691 1.00 0.00 H new ATOM 1144 N ARG B 20 98.870 -14.074 39.050 1.00 0.00 N ATOM 1145 CA ARG B 20 100.187 -13.476 38.683 1.00 0.00 C ATOM 1146 C ARG B 20 101.171 -14.570 38.273 1.00 0.00 C ATOM 1147 O ARG B 20 101.920 -14.414 37.329 1.00 0.00 O ATOM 1148 CB ARG B 20 100.749 -12.688 39.868 1.00 0.00 C ATOM 1149 CG ARG B 20 99.947 -11.396 40.038 1.00 0.00 C ATOM 1150 CD ARG B 20 100.482 -10.602 41.234 1.00 0.00 C ATOM 1151 NE ARG B 20 99.998 -9.183 41.152 1.00 0.00 N ATOM 1152 CZ ARG B 20 100.339 -8.397 40.168 1.00 0.00 C ATOM 1153 NH1 ARG B 20 101.203 -8.794 39.274 1.00 0.00 N ATOM 1154 NH2 ARG B 20 99.838 -7.192 40.094 1.00 0.00 N ATOM 0 H ARG B 20 98.564 -13.899 40.007 1.00 0.00 H new ATOM 0 HA ARG B 20 100.042 -12.801 37.840 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.694 -13.287 40.777 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.801 -12.458 39.701 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.015 -10.794 39.132 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.893 -11.629 40.188 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.147 -11.058 42.166 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.572 -10.626 41.241 1.00 0.00 H new ATOM 0 HE ARG B 20 99.386 -8.824 41.885 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.616 -9.724 39.342 1.00 0.00 H new ATOM 0 HH12 ARG B 20 101.465 -8.174 38.507 1.00 0.00 H new ATOM 0 HH21 ARG B 20 99.182 -6.868 40.805 1.00 0.00 H new ATOM 0 HH22 ARG B 20 100.103 -6.576 39.326 1.00 0.00 H new ATOM 1168 N ALA B 21 101.176 -15.677 38.957 1.00 0.00 N ATOM 1169 CA ALA B 21 102.118 -16.766 38.574 1.00 0.00 C ATOM 1170 C ALA B 21 101.735 -17.277 37.184 1.00 0.00 C ATOM 1171 O ALA B 21 102.575 -17.475 36.328 1.00 0.00 O ATOM 1172 CB ALA B 21 102.026 -17.908 39.589 1.00 0.00 C ATOM 0 H ALA B 21 100.576 -15.876 39.757 1.00 0.00 H new ATOM 0 HA ALA B 21 103.140 -16.387 38.562 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.716 -18.703 39.306 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.287 -17.536 40.580 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.009 -18.299 39.605 1.00 0.00 H new ATOM 1178 N MET B 22 100.467 -17.478 36.957 1.00 0.00 N ATOM 1179 CA MET B 22 100.006 -17.961 35.624 1.00 0.00 C ATOM 1180 C MET B 22 100.371 -16.934 34.550 1.00 0.00 C ATOM 1181 O MET B 22 100.866 -17.273 33.494 1.00 0.00 O ATOM 1182 CB MET B 22 98.488 -18.153 35.665 1.00 0.00 C ATOM 1183 CG MET B 22 97.987 -18.648 34.306 1.00 0.00 C ATOM 1184 SD MET B 22 96.220 -19.030 34.419 1.00 0.00 S ATOM 1185 CE MET B 22 95.645 -17.371 34.855 1.00 0.00 C ATOM 0 H MET B 22 99.725 -17.328 37.641 1.00 0.00 H new ATOM 0 HA MET B 22 100.490 -18.908 35.385 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.225 -18.870 36.442 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.001 -17.212 35.921 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.158 -17.888 33.544 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.543 -19.535 34.002 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.610 -17.249 34.534 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.709 -17.236 35.935 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.269 -16.628 34.359 1.00 0.00 H new ATOM 1195 N ALA B 23 100.137 -15.678 34.813 1.00 0.00 N ATOM 1196 CA ALA B 23 100.471 -14.629 33.807 1.00 0.00 C ATOM 1197 C ALA B 23 101.956 -14.719 33.454 1.00 0.00 C ATOM 1198 O ALA B 23 102.343 -14.566 32.313 1.00 0.00 O ATOM 1199 CB ALA B 23 100.179 -13.252 34.405 1.00 0.00 C ATOM 0 H ALA B 23 99.729 -15.332 35.681 1.00 0.00 H new ATOM 0 HA ALA B 23 99.872 -14.778 32.908 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.421 -12.480 33.675 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.123 -13.186 34.667 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.785 -13.108 35.300 1.00 0.00 H new ATOM 1205 N SER B 24 102.790 -14.958 34.429 1.00 0.00 N ATOM 1206 CA SER B 24 104.254 -15.051 34.158 1.00 0.00 C ATOM 1207 C SER B 24 104.552 -16.254 33.255 1.00 0.00 C ATOM 1208 O SER B 24 105.383 -16.187 32.372 1.00 0.00 O ATOM 1209 CB SER B 24 105.005 -15.202 35.481 1.00 0.00 C ATOM 1210 OG SER B 24 104.934 -13.979 36.205 1.00 0.00 O ATOM 0 H SER B 24 102.521 -15.093 35.403 1.00 0.00 H new ATOM 0 HA SER B 24 104.581 -14.143 33.651 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.571 -16.011 36.068 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.046 -15.467 35.293 1.00 0.00 H new ATOM 0 HG SER B 24 104.059 -13.907 36.641 1.00 0.00 H new ATOM 1216 N ASP B 25 103.891 -17.358 33.472 1.00 0.00 N ATOM 1217 CA ASP B 25 104.154 -18.562 32.629 1.00 0.00 C ATOM 1218 C ASP B 25 103.631 -18.330 31.213 1.00 0.00 C ATOM 1219 O ASP B 25 104.262 -18.698 30.242 1.00 0.00 O ATOM 1220 CB ASP B 25 103.452 -19.777 33.233 1.00 0.00 C ATOM 1221 CG ASP B 25 104.152 -20.181 34.532 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.304 -19.814 34.697 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.529 -20.855 35.334 1.00 0.00 O ATOM 0 H ASP B 25 103.181 -17.480 34.195 1.00 0.00 H new ATOM 0 HA ASP B 25 105.229 -18.741 32.593 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.405 -19.545 33.429 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.467 -20.607 32.527 1.00 0.00 H new ATOM 1228 N PHE B 26 102.490 -17.714 31.081 1.00 0.00 N ATOM 1229 CA PHE B 26 101.937 -17.450 29.717 1.00 0.00 C ATOM 1230 C PHE B 26 102.419 -16.074 29.243 1.00 0.00 C ATOM 1231 O PHE B 26 102.161 -15.662 28.130 1.00 0.00 O ATOM 1232 CB PHE B 26 100.406 -17.479 29.758 1.00 0.00 C ATOM 1233 CG PHE B 26 99.919 -18.904 29.923 1.00 0.00 C ATOM 1234 CD1 PHE B 26 99.666 -19.693 28.791 1.00 0.00 C ATOM 1235 CD2 PHE B 26 99.716 -19.439 31.203 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.214 -21.008 28.940 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.263 -20.756 31.348 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.013 -21.540 30.216 1.00 0.00 C ATOM 0 H PHE B 26 101.915 -17.381 31.855 1.00 0.00 H new ATOM 0 HA PHE B 26 102.283 -18.220 29.027 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.044 -16.865 30.583 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.001 -17.052 28.841 1.00 0.00 H new ATOM 0 HD1 PHE B 26 99.820 -19.284 27.803 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.909 -18.835 32.077 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.020 -21.613 28.067 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.106 -21.167 32.334 1.00 0.00 H new ATOM 0 HZ PHE B 26 98.665 -22.556 30.329 1.00 0.00 H new ATOM 1248 N ASN B 27 103.137 -15.372 30.079 1.00 0.00 N ATOM 1249 CA ASN B 27 103.665 -14.031 29.685 1.00 0.00 C ATOM 1250 C ASN B 27 102.536 -13.136 29.162 1.00 0.00 C ATOM 1251 O ASN B 27 102.671 -12.501 28.134 1.00 0.00 O ATOM 1252 CB ASN B 27 104.717 -14.203 28.587 1.00 0.00 C ATOM 1253 CG ASN B 27 105.922 -14.963 29.144 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.387 -14.654 30.323 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 106.447 -15.847 28.498 1.00 0.00 N flip ATOM 0 H ASN B 27 103.382 -15.671 31.023 1.00 0.00 H new ATOM 0 HA ASN B 27 104.109 -13.561 30.562 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.291 -14.745 27.743 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.030 -13.228 28.214 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.084 -16.089 27.576 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.251 -16.347 28.877 1.00 0.00 H new ATOM 1262 N LEU B 28 101.430 -13.070 29.865 1.00 0.00 N ATOM 1263 CA LEU B 28 100.286 -12.204 29.417 1.00 0.00 C ATOM 1264 C LEU B 28 100.038 -11.122 30.478 1.00 0.00 C ATOM 1265 O LEU B 28 100.301 -11.333 31.644 1.00 0.00 O ATOM 1266 CB LEU B 28 99.026 -13.062 29.287 1.00 0.00 C ATOM 1267 CG LEU B 28 99.157 -14.025 28.092 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.147 -15.168 28.244 1.00 0.00 C ATOM 1269 CD2 LEU B 28 98.882 -13.284 26.771 1.00 0.00 C ATOM 0 H LEU B 28 101.267 -13.580 30.733 1.00 0.00 H new ATOM 0 HA LEU B 28 100.524 -11.745 28.457 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.868 -13.629 30.204 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.154 -12.422 29.153 1.00 0.00 H new ATOM 0 HG LEU B 28 100.172 -14.422 28.073 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.239 -15.850 27.399 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.346 -15.708 29.169 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.137 -14.760 28.272 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.979 -13.979 25.937 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.872 -12.875 26.787 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.600 -12.473 26.652 1.00 0.00 H new ATOM 1281 N PRO B 29 99.531 -9.973 30.092 1.00 0.00 N ATOM 1282 CA PRO B 29 99.250 -8.872 31.057 1.00 0.00 C ATOM 1283 C PRO B 29 98.029 -9.192 31.944 1.00 0.00 C ATOM 1284 O PRO B 29 97.162 -9.947 31.552 1.00 0.00 O ATOM 1285 CB PRO B 29 98.978 -7.661 30.155 1.00 0.00 C ATOM 1286 CG PRO B 29 98.451 -8.247 28.886 1.00 0.00 C ATOM 1287 CD PRO B 29 99.173 -9.587 28.712 1.00 0.00 C ATOM 0 HA PRO B 29 100.072 -8.707 31.753 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.255 -6.983 30.609 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.887 -7.086 29.979 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.372 -8.389 28.940 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.644 -7.586 28.041 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.529 -10.331 28.242 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.057 -9.487 28.082 1.00 0.00 H new ATOM 1295 N PRO B 30 97.961 -8.627 33.129 1.00 0.00 N ATOM 1296 CA PRO B 30 96.825 -8.863 34.071 1.00 0.00 C ATOM 1297 C PRO B 30 95.447 -8.882 33.385 1.00 0.00 C ATOM 1298 O PRO B 30 94.501 -9.443 33.901 1.00 0.00 O ATOM 1299 CB PRO B 30 96.915 -7.675 35.037 1.00 0.00 C ATOM 1300 CG PRO B 30 98.362 -7.291 35.064 1.00 0.00 C ATOM 1301 CD PRO B 30 98.958 -7.700 33.708 1.00 0.00 C ATOM 0 HA PRO B 30 96.906 -9.841 34.545 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.295 -6.845 34.698 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.563 -7.950 36.031 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.474 -6.219 35.227 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.880 -7.794 35.881 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.114 -6.833 33.066 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.927 -8.185 33.830 1.00 0.00 H new ATOM 1309 N VAL B 31 95.314 -8.252 32.249 1.00 0.00 N ATOM 1310 CA VAL B 31 93.980 -8.220 31.573 1.00 0.00 C ATOM 1311 C VAL B 31 93.517 -9.643 31.258 1.00 0.00 C ATOM 1312 O VAL B 31 92.422 -10.039 31.604 1.00 0.00 O ATOM 1313 CB VAL B 31 94.097 -7.430 30.261 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.808 -7.569 29.439 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.343 -5.954 30.575 1.00 0.00 C ATOM 0 H VAL B 31 96.063 -7.761 31.761 1.00 0.00 H new ATOM 0 HA VAL B 31 93.256 -7.744 32.235 1.00 0.00 H new ATOM 0 HB VAL B 31 94.931 -7.828 29.682 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.905 -7.004 28.512 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.636 -8.620 29.207 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.967 -7.182 30.014 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.426 -5.393 29.644 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.511 -5.563 31.161 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.267 -5.852 31.144 1.00 0.00 H new ATOM 1325 N VAL B 32 94.332 -10.410 30.596 1.00 0.00 N ATOM 1326 CA VAL B 32 93.921 -11.796 30.257 1.00 0.00 C ATOM 1327 C VAL B 32 93.937 -12.665 31.512 1.00 0.00 C ATOM 1328 O VAL B 32 93.067 -13.483 31.720 1.00 0.00 O ATOM 1329 CB VAL B 32 94.886 -12.369 29.224 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.513 -13.825 28.917 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.806 -11.529 27.946 1.00 0.00 C ATOM 0 H VAL B 32 95.262 -10.139 30.276 1.00 0.00 H new ATOM 0 HA VAL B 32 92.911 -11.783 29.847 1.00 0.00 H new ATOM 0 HB VAL B 32 95.903 -12.342 29.616 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.205 -14.230 28.179 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.571 -14.416 29.831 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.498 -13.865 28.523 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.493 -11.932 27.202 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.789 -11.558 27.554 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.079 -10.498 28.171 1.00 0.00 H new ATOM 1341 N ALA B 33 94.921 -12.501 32.351 1.00 0.00 N ATOM 1342 CA ALA B 33 94.983 -13.333 33.583 1.00 0.00 C ATOM 1343 C ALA B 33 93.732 -13.090 34.430 1.00 0.00 C ATOM 1344 O ALA B 33 93.045 -14.017 34.811 1.00 0.00 O ATOM 1345 CB ALA B 33 96.244 -12.969 34.369 1.00 0.00 C ATOM 0 H ALA B 33 95.681 -11.830 32.238 1.00 0.00 H new ATOM 0 HA ALA B 33 95.022 -14.390 33.318 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.296 -13.575 35.274 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.124 -13.159 33.754 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.212 -11.914 34.640 1.00 0.00 H new ATOM 1351 N LYS B 34 93.410 -11.859 34.711 1.00 0.00 N ATOM 1352 CA LYS B 34 92.180 -11.588 35.510 1.00 0.00 C ATOM 1353 C LYS B 34 90.965 -12.134 34.763 1.00 0.00 C ATOM 1354 O LYS B 34 90.052 -12.681 35.352 1.00 0.00 O ATOM 1355 CB LYS B 34 92.008 -10.084 35.743 1.00 0.00 C ATOM 1356 CG LYS B 34 93.073 -9.591 36.724 1.00 0.00 C ATOM 1357 CD LYS B 34 92.901 -8.088 36.960 1.00 0.00 C ATOM 1358 CE LYS B 34 93.956 -7.605 37.960 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.915 -6.119 38.051 1.00 0.00 N ATOM 0 H LYS B 34 93.939 -11.035 34.426 1.00 0.00 H new ATOM 0 HA LYS B 34 92.272 -12.079 36.479 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.093 -9.547 34.798 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.013 -9.878 36.137 1.00 0.00 H new ATOM 0 HG2 LYS B 34 92.989 -10.129 37.668 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.068 -9.795 36.329 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.002 -7.547 36.019 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.901 -7.881 37.341 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.771 -8.045 38.940 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.947 -7.933 37.646 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.632 -5.793 38.730 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.112 -5.708 37.116 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.973 -5.817 38.370 1.00 0.00 H new ATOM 1373 N GLU B 35 90.942 -11.972 33.470 1.00 0.00 N ATOM 1374 CA GLU B 35 89.782 -12.461 32.673 1.00 0.00 C ATOM 1375 C GLU B 35 89.640 -13.980 32.822 1.00 0.00 C ATOM 1376 O GLU B 35 88.546 -14.493 32.946 1.00 0.00 O ATOM 1377 CB GLU B 35 90.002 -12.117 31.196 1.00 0.00 C ATOM 1378 CG GLU B 35 88.716 -12.384 30.401 1.00 0.00 C ATOM 1379 CD GLU B 35 88.544 -13.890 30.176 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.528 -14.603 30.272 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.427 -14.303 29.908 1.00 0.00 O ATOM 0 H GLU B 35 91.679 -11.520 32.929 1.00 0.00 H new ATOM 0 HA GLU B 35 88.873 -11.981 33.036 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.291 -11.071 31.096 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.820 -12.714 30.792 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.856 -11.988 30.941 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.757 -11.867 29.442 1.00 0.00 H new ATOM 1388 N ILE B 36 90.727 -14.705 32.816 1.00 0.00 N ATOM 1389 CA ILE B 36 90.612 -16.183 32.964 1.00 0.00 C ATOM 1390 C ILE B 36 89.967 -16.473 34.318 1.00 0.00 C ATOM 1391 O ILE B 36 89.114 -17.329 34.443 1.00 0.00 O ATOM 1392 CB ILE B 36 92.001 -16.830 32.891 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.572 -16.671 31.478 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.881 -18.320 33.208 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.059 -17.031 31.486 1.00 0.00 C ATOM 0 H ILE B 36 91.676 -14.344 32.717 1.00 0.00 H new ATOM 0 HA ILE B 36 90.003 -16.597 32.160 1.00 0.00 H new ATOM 0 HB ILE B 36 92.661 -16.345 33.611 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.035 -17.315 30.782 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.437 -15.646 31.133 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.866 -18.783 33.157 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.472 -18.447 34.210 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.219 -18.794 32.483 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.466 -16.918 30.481 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.590 -16.368 32.169 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.182 -18.063 31.813 1.00 0.00 H new ATOM 1407 N VAL B 37 90.346 -15.734 35.324 1.00 0.00 N ATOM 1408 CA VAL B 37 89.735 -15.927 36.668 1.00 0.00 C ATOM 1409 C VAL B 37 88.261 -15.534 36.593 1.00 0.00 C ATOM 1410 O VAL B 37 87.401 -16.169 37.170 1.00 0.00 O ATOM 1411 CB VAL B 37 90.451 -15.029 37.685 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.679 -15.018 39.010 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.867 -15.560 37.924 1.00 0.00 C ATOM 0 H VAL B 37 91.055 -15.003 35.272 1.00 0.00 H new ATOM 0 HA VAL B 37 89.829 -16.968 36.977 1.00 0.00 H new ATOM 0 HB VAL B 37 90.501 -14.013 37.293 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.194 -14.378 39.726 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.672 -14.636 38.841 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.621 -16.032 39.406 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.377 -14.923 38.646 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.813 -16.577 38.311 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.420 -15.558 36.985 1.00 0.00 H new ATOM 1423 N ALA B 38 87.972 -14.479 35.886 1.00 0.00 N ATOM 1424 CA ALA B 38 86.563 -14.017 35.763 1.00 0.00 C ATOM 1425 C ALA B 38 85.700 -15.139 35.179 1.00 0.00 C ATOM 1426 O ALA B 38 84.492 -15.137 35.314 1.00 0.00 O ATOM 1427 CB ALA B 38 86.510 -12.796 34.843 1.00 0.00 C ATOM 0 H ALA B 38 88.656 -13.913 35.384 1.00 0.00 H new ATOM 0 HA ALA B 38 86.181 -13.749 36.748 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.479 -12.455 34.750 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.120 -11.997 35.263 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.893 -13.065 33.859 1.00 0.00 H new ATOM 1433 N SER B 39 86.306 -16.102 34.534 1.00 0.00 N ATOM 1434 CA SER B 39 85.509 -17.221 33.948 1.00 0.00 C ATOM 1435 C SER B 39 85.426 -18.352 34.970 1.00 0.00 C ATOM 1436 O SER B 39 84.374 -18.916 35.201 1.00 0.00 O ATOM 1437 CB SER B 39 86.197 -17.726 32.679 1.00 0.00 C ATOM 1438 OG SER B 39 85.989 -16.791 31.629 1.00 0.00 O ATOM 0 H SER B 39 87.314 -16.162 34.388 1.00 0.00 H new ATOM 0 HA SER B 39 84.507 -16.874 33.698 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.264 -17.858 32.858 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.798 -18.701 32.398 1.00 0.00 H new ATOM 0 HG SER B 39 86.430 -17.111 30.814 1.00 0.00 H new ATOM 1444 N CYS B 40 86.518 -18.673 35.605 1.00 0.00 N ATOM 1445 CA CYS B 40 86.484 -19.746 36.634 1.00 0.00 C ATOM 1446 C CYS B 40 85.504 -19.332 37.728 1.00 0.00 C ATOM 1447 O CYS B 40 85.633 -18.277 38.312 1.00 0.00 O ATOM 1448 CB CYS B 40 87.875 -19.918 37.241 1.00 0.00 C ATOM 1449 SG CYS B 40 87.883 -21.360 38.334 1.00 0.00 S ATOM 0 H CYS B 40 87.429 -18.240 35.456 1.00 0.00 H new ATOM 0 HA CYS B 40 86.172 -20.688 36.182 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.615 -20.043 36.451 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.153 -19.024 37.799 1.00 0.00 H new ATOM 1454 N ASP B 41 84.521 -20.134 38.010 1.00 0.00 N ATOM 1455 CA ASP B 41 83.545 -19.748 39.065 1.00 0.00 C ATOM 1456 C ASP B 41 84.160 -19.956 40.452 1.00 0.00 C ATOM 1457 O ASP B 41 83.714 -19.384 41.426 1.00 0.00 O ATOM 1458 CB ASP B 41 82.282 -20.602 38.928 1.00 0.00 C ATOM 1459 CG ASP B 41 81.529 -20.192 37.661 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.717 -19.071 37.222 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.773 -21.006 37.154 1.00 0.00 O ATOM 0 H ASP B 41 84.350 -21.034 37.561 1.00 0.00 H new ATOM 0 HA ASP B 41 83.288 -18.695 38.947 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.547 -21.658 38.882 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.644 -20.471 39.802 1.00 0.00 H new ATOM 1466 N LYS B 42 85.173 -20.774 40.558 1.00 0.00 N ATOM 1467 CA LYS B 42 85.792 -21.009 41.893 1.00 0.00 C ATOM 1468 C LYS B 42 86.719 -19.843 42.261 1.00 0.00 C ATOM 1469 O LYS B 42 86.680 -19.337 43.366 1.00 0.00 O ATOM 1470 CB LYS B 42 86.596 -22.311 41.860 1.00 0.00 C ATOM 1471 CG LYS B 42 85.637 -23.498 41.744 1.00 0.00 C ATOM 1472 CD LYS B 42 86.429 -24.782 41.476 1.00 0.00 C ATOM 1473 CE LYS B 42 87.358 -25.079 42.656 1.00 0.00 C ATOM 1474 NZ LYS B 42 87.734 -26.522 42.640 1.00 0.00 N ATOM 0 H LYS B 42 85.596 -21.286 39.784 1.00 0.00 H new ATOM 0 HA LYS B 42 85.003 -21.083 42.642 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.287 -22.304 41.017 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.198 -22.403 42.764 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.059 -23.601 42.662 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.925 -23.324 40.937 1.00 0.00 H new ATOM 0 HD2 LYS B 42 85.744 -25.616 41.322 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.012 -24.675 40.561 1.00 0.00 H new ATOM 0 HE2 LYS B 42 88.252 -24.458 42.594 1.00 0.00 H new ATOM 0 HE3 LYS B 42 86.862 -24.832 43.595 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 88.365 -26.725 43.441 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 86.876 -27.105 42.718 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 88.223 -26.743 41.749 1.00 0.00 H new ATOM 1488 N CYS B 43 87.563 -19.420 41.354 1.00 0.00 N ATOM 1489 CA CYS B 43 88.498 -18.298 41.668 1.00 0.00 C ATOM 1490 C CYS B 43 87.765 -16.956 41.575 1.00 0.00 C ATOM 1491 O CYS B 43 88.195 -15.969 42.140 1.00 0.00 O ATOM 1492 CB CYS B 43 89.673 -18.309 40.688 1.00 0.00 C ATOM 1493 SG CYS B 43 90.689 -19.776 40.989 1.00 0.00 S ATOM 0 H CYS B 43 87.645 -19.802 40.412 1.00 0.00 H new ATOM 0 HA CYS B 43 88.873 -18.429 42.683 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.306 -18.311 39.662 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.272 -17.406 40.810 1.00 0.00 H new ATOM 1498 N GLN B 44 86.664 -16.903 40.873 1.00 0.00 N ATOM 1499 CA GLN B 44 85.923 -15.615 40.759 1.00 0.00 C ATOM 1500 C GLN B 44 85.147 -15.375 42.052 1.00 0.00 C ATOM 1501 O GLN B 44 85.472 -14.497 42.826 1.00 0.00 O ATOM 1502 CB GLN B 44 84.953 -15.672 39.576 1.00 0.00 C ATOM 1503 CG GLN B 44 84.345 -14.288 39.356 1.00 0.00 C ATOM 1504 CD GLN B 44 83.410 -14.322 38.147 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.072 -15.381 37.654 1.00 0.00 O ATOM 1506 NE2 GLN B 44 82.973 -13.200 37.645 1.00 0.00 N ATOM 0 H GLN B 44 86.249 -17.691 40.377 1.00 0.00 H new ATOM 0 HA GLN B 44 86.628 -14.801 40.594 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.476 -15.999 38.677 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.166 -16.401 39.770 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.795 -13.976 40.244 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.135 -13.554 39.196 1.00 0.00 H new ATOM 0 HE21 GLN B 44 83.256 -12.312 38.058 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.348 -13.211 36.839 1.00 0.00 H new ATOM 1515 N LEU B 45 84.132 -16.154 42.300 1.00 0.00 N ATOM 1516 CA LEU B 45 83.344 -15.977 43.553 1.00 0.00 C ATOM 1517 C LEU B 45 84.108 -16.641 44.708 1.00 0.00 C ATOM 1518 O LEU B 45 84.858 -17.576 44.508 1.00 0.00 O ATOM 1519 CB LEU B 45 81.972 -16.648 43.398 1.00 0.00 C ATOM 1520 CG LEU B 45 81.203 -16.017 42.227 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.862 -16.739 42.060 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.953 -14.521 42.499 1.00 0.00 C ATOM 0 H LEU B 45 83.813 -16.906 41.689 1.00 0.00 H new ATOM 0 HA LEU B 45 83.202 -14.916 43.756 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.099 -17.717 43.226 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.400 -16.540 44.319 1.00 0.00 H new ATOM 0 HG LEU B 45 81.793 -16.115 41.316 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.311 -16.296 41.230 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.040 -17.795 41.855 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.279 -16.641 42.976 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.407 -14.085 41.662 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.367 -14.410 43.411 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.908 -14.008 42.616 1.00 0.00 H new ATOM 1534 N LYS B 46 83.932 -16.167 45.912 1.00 0.00 N ATOM 1535 CA LYS B 46 84.661 -16.781 47.061 1.00 0.00 C ATOM 1536 C LYS B 46 83.993 -18.100 47.444 1.00 0.00 C ATOM 1537 O LYS B 46 84.482 -18.836 48.280 1.00 0.00 O ATOM 1538 CB LYS B 46 84.644 -15.826 48.261 1.00 0.00 C ATOM 1539 CG LYS B 46 83.204 -15.600 48.736 1.00 0.00 C ATOM 1540 CD LYS B 46 83.185 -14.468 49.771 1.00 0.00 C ATOM 1541 CE LYS B 46 81.778 -14.320 50.354 1.00 0.00 C ATOM 1542 NZ LYS B 46 81.351 -15.608 50.966 1.00 0.00 N ATOM 0 H LYS B 46 83.320 -15.387 46.150 1.00 0.00 H new ATOM 0 HA LYS B 46 85.695 -16.969 46.770 1.00 0.00 H new ATOM 0 HB2 LYS B 46 85.242 -16.240 49.073 1.00 0.00 H new ATOM 0 HB3 LYS B 46 85.097 -14.874 47.984 1.00 0.00 H new ATOM 0 HG2 LYS B 46 82.565 -15.346 47.890 1.00 0.00 H new ATOM 0 HG3 LYS B 46 82.805 -16.515 49.173 1.00 0.00 H new ATOM 0 HD2 LYS B 46 83.898 -14.680 50.568 1.00 0.00 H new ATOM 0 HD3 LYS B 46 83.496 -13.533 49.306 1.00 0.00 H new ATOM 0 HE2 LYS B 46 81.766 -13.528 51.103 1.00 0.00 H new ATOM 0 HE3 LYS B 46 81.078 -14.029 49.571 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 80.625 -15.425 51.688 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 80.959 -16.229 50.230 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 82.171 -16.071 51.408 1.00 0.00 H new ATOM 1556 N GLY B 47 82.880 -18.406 46.839 1.00 0.00 N ATOM 1557 CA GLY B 47 82.176 -19.678 47.164 1.00 0.00 C ATOM 1558 C GLY B 47 80.689 -19.511 46.869 1.00 0.00 C ATOM 1559 O GLY B 47 80.306 -18.898 45.894 1.00 0.00 O ATOM 0 H GLY B 47 82.426 -17.829 46.131 1.00 0.00 H new ATOM 0 HA2 GLY B 47 82.587 -20.497 46.574 1.00 0.00 H new ATOM 0 HA3 GLY B 47 82.325 -19.934 48.213 1.00 0.00 H new ATOM 1563 N GLU B 48 79.844 -20.046 47.706 1.00 0.00 N ATOM 1564 CA GLU B 48 78.380 -19.910 47.472 1.00 0.00 C ATOM 1565 C GLU B 48 77.912 -18.552 47.992 1.00 0.00 C ATOM 1566 O GLU B 48 78.405 -18.055 48.984 1.00 0.00 O ATOM 1567 CB GLU B 48 77.646 -21.028 48.215 1.00 0.00 C ATOM 1568 CG GLU B 48 77.947 -20.938 49.714 1.00 0.00 C ATOM 1569 CD GLU B 48 77.258 -22.093 50.441 1.00 0.00 C ATOM 1570 OE1 GLU B 48 76.117 -22.373 50.114 1.00 0.00 O ATOM 1571 OE2 GLU B 48 77.881 -22.678 51.312 1.00 0.00 O ATOM 0 H GLU B 48 80.104 -20.571 48.541 1.00 0.00 H new ATOM 0 HA GLU B 48 78.166 -19.983 46.406 1.00 0.00 H new ATOM 0 HB2 GLU B 48 76.572 -20.947 48.045 1.00 0.00 H new ATOM 0 HB3 GLU B 48 77.957 -21.999 47.830 1.00 0.00 H new ATOM 0 HG2 GLU B 48 79.023 -20.978 49.883 1.00 0.00 H new ATOM 0 HG3 GLU B 48 77.597 -19.984 50.110 1.00 0.00 H new ATOM 1578 N ALA B 49 76.961 -17.947 47.337 1.00 0.00 N ATOM 1579 CA ALA B 49 76.467 -16.625 47.807 1.00 0.00 C ATOM 1580 C ALA B 49 75.637 -16.825 49.077 1.00 0.00 C ATOM 1581 O ALA B 49 76.133 -16.704 50.179 1.00 0.00 O ATOM 1582 CB ALA B 49 75.600 -15.990 46.717 1.00 0.00 C ATOM 0 H ALA B 49 76.506 -18.310 46.499 1.00 0.00 H new ATOM 0 HA ALA B 49 77.310 -15.969 48.022 1.00 0.00 H new ATOM 0 HB1 ALA B 49 75.237 -15.021 47.059 1.00 0.00 H new ATOM 0 HB2 ALA B 49 76.193 -15.856 45.812 1.00 0.00 H new ATOM 0 HB3 ALA B 49 74.752 -16.640 46.502 1.00 0.00 H new ATOM 1588 N MET B 50 74.379 -17.136 48.932 1.00 0.00 N ATOM 1589 CA MET B 50 73.520 -17.350 50.132 1.00 0.00 C ATOM 1590 C MET B 50 73.790 -18.742 50.709 1.00 0.00 C ATOM 1591 O MET B 50 74.150 -19.659 49.996 1.00 0.00 O ATOM 1592 CB MET B 50 72.044 -17.247 49.745 1.00 0.00 C ATOM 1593 CG MET B 50 71.752 -18.199 48.587 1.00 0.00 C ATOM 1594 SD MET B 50 70.005 -18.075 48.130 1.00 0.00 S ATOM 1595 CE MET B 50 70.067 -19.187 46.705 1.00 0.00 C ATOM 0 H MET B 50 73.908 -17.251 48.035 1.00 0.00 H new ATOM 0 HA MET B 50 73.752 -16.587 50.875 1.00 0.00 H new ATOM 0 HB2 MET B 50 71.415 -17.494 50.600 1.00 0.00 H new ATOM 0 HB3 MET B 50 71.803 -16.224 49.458 1.00 0.00 H new ATOM 0 HG2 MET B 50 72.381 -17.952 47.732 1.00 0.00 H new ATOM 0 HG3 MET B 50 71.992 -19.223 48.874 1.00 0.00 H new ATOM 0 HE1 MET B 50 69.076 -19.261 46.258 1.00 0.00 H new ATOM 0 HE2 MET B 50 70.769 -18.796 45.969 1.00 0.00 H new ATOM 0 HE3 MET B 50 70.394 -20.175 47.029 1.00 0.00 H new ATOM 1605 N HIS B 51 73.614 -18.909 51.992 1.00 0.00 N ATOM 1606 CA HIS B 51 73.855 -20.244 52.616 1.00 0.00 C ATOM 1607 C HIS B 51 72.614 -21.124 52.450 1.00 0.00 C ATOM 1608 O HIS B 51 71.494 -20.655 52.517 1.00 0.00 O ATOM 1609 CB HIS B 51 74.154 -20.059 54.104 1.00 0.00 C ATOM 1610 CG HIS B 51 75.395 -19.227 54.252 1.00 0.00 C ATOM 1611 ND1 HIS B 51 75.480 -17.937 53.746 1.00 0.00 N ATOM 1612 CD2 HIS B 51 76.611 -19.484 54.836 1.00 0.00 C ATOM 1613 CE1 HIS B 51 76.709 -17.471 54.031 1.00 0.00 C ATOM 1614 NE2 HIS B 51 77.435 -18.373 54.692 1.00 0.00 N ATOM 0 H HIS B 51 73.313 -18.178 52.637 1.00 0.00 H new ATOM 0 HA HIS B 51 74.703 -20.724 52.128 1.00 0.00 H new ATOM 0 HB2 HIS B 51 73.313 -19.573 54.600 1.00 0.00 H new ATOM 0 HB3 HIS B 51 74.291 -21.028 54.584 1.00 0.00 H new ATOM 0 HD2 HIS B 51 76.885 -20.405 55.330 1.00 0.00 H new ATOM 0 HE1 HIS B 51 77.064 -16.488 53.758 1.00 0.00 H new ATOM 0 HE2 HIS B 51 78.394 -18.270 55.023 1.00 0.00 H new ATOM 1623 N GLY B 52 72.804 -22.400 52.240 1.00 0.00 N ATOM 1624 CA GLY B 52 71.637 -23.317 52.075 1.00 0.00 C ATOM 1625 C GLY B 52 71.224 -23.864 53.440 1.00 0.00 C ATOM 1626 O GLY B 52 70.072 -24.165 53.672 1.00 0.00 O ATOM 0 H GLY B 52 73.718 -22.848 52.175 1.00 0.00 H new ATOM 0 HA2 GLY B 52 70.804 -22.784 51.617 1.00 0.00 H new ATOM 0 HA3 GLY B 52 71.897 -24.137 51.406 1.00 0.00 H new ATOM 1630 N GLN B 53 72.154 -23.994 54.353 1.00 0.00 N ATOM 1631 CA GLN B 53 71.811 -24.523 55.709 1.00 0.00 C ATOM 1632 C GLN B 53 72.742 -23.889 56.745 1.00 0.00 C ATOM 1633 O GLN B 53 73.948 -23.921 56.614 1.00 0.00 O ATOM 1634 CB GLN B 53 72.003 -26.048 55.747 1.00 0.00 C ATOM 1635 CG GLN B 53 71.028 -26.750 54.791 1.00 0.00 C ATOM 1636 CD GLN B 53 69.585 -26.438 55.197 1.00 0.00 C ATOM 1637 OE1 GLN B 53 68.730 -26.060 54.286 1.00 0.00 O flip ATOM 1638 NE2 GLN B 53 69.232 -26.541 56.354 1.00 0.00 N flip ATOM 0 H GLN B 53 73.137 -23.756 54.218 1.00 0.00 H new ATOM 0 HA GLN B 53 70.771 -24.281 55.930 1.00 0.00 H new ATOM 0 HB2 GLN B 53 73.028 -26.296 55.473 1.00 0.00 H new ATOM 0 HB3 GLN B 53 71.848 -26.412 56.762 1.00 0.00 H new ATOM 0 HG2 GLN B 53 71.207 -26.419 53.768 1.00 0.00 H new ATOM 0 HG3 GLN B 53 71.196 -27.827 54.812 1.00 0.00 H new ATOM 0 HE21 GLN B 53 69.899 -26.836 57.066 1.00 0.00 H new ATOM 0 HE22 GLN B 53 68.268 -26.332 56.614 1.00 0.00 H new ATOM 1647 N VAL B 54 72.184 -23.315 57.777 1.00 0.00 N ATOM 1648 CA VAL B 54 73.021 -22.676 58.835 1.00 0.00 C ATOM 1649 C VAL B 54 73.347 -23.714 59.909 1.00 0.00 C ATOM 1650 O VAL B 54 74.459 -24.193 60.007 1.00 0.00 O ATOM 1651 CB VAL B 54 72.247 -21.507 59.456 1.00 0.00 C ATOM 1652 CG1 VAL B 54 72.996 -20.980 60.681 1.00 0.00 C ATOM 1653 CG2 VAL B 54 72.116 -20.383 58.425 1.00 0.00 C ATOM 0 H VAL B 54 71.178 -23.261 57.934 1.00 0.00 H new ATOM 0 HA VAL B 54 73.948 -22.301 58.401 1.00 0.00 H new ATOM 0 HB VAL B 54 71.258 -21.851 59.758 1.00 0.00 H new ATOM 0 HG11 VAL B 54 72.441 -20.150 61.117 1.00 0.00 H new ATOM 0 HG12 VAL B 54 73.095 -21.777 61.418 1.00 0.00 H new ATOM 0 HG13 VAL B 54 73.986 -20.637 60.382 1.00 0.00 H new ATOM 0 HG21 VAL B 54 71.566 -19.550 58.863 1.00 0.00 H new ATOM 0 HG22 VAL B 54 73.109 -20.046 58.126 1.00 0.00 H new ATOM 0 HG23 VAL B 54 71.580 -20.752 57.551 1.00 0.00 H new ATOM 1663 N ASP B 55 72.383 -24.071 60.714 1.00 0.00 N ATOM 1664 CA ASP B 55 72.630 -25.084 61.784 1.00 0.00 C ATOM 1665 C ASP B 55 72.344 -26.484 61.237 1.00 0.00 C ATOM 1666 O ASP B 55 73.219 -27.039 60.592 1.00 0.00 O ATOM 1667 CB ASP B 55 71.708 -24.808 62.974 1.00 0.00 C ATOM 1668 CG ASP B 55 72.168 -23.540 63.695 1.00 0.00 C ATOM 1669 OD1 ASP B 55 73.316 -23.167 63.517 1.00 0.00 O ATOM 1670 OD2 ASP B 55 71.367 -22.968 64.414 1.00 0.00 O ATOM 1671 OXT ASP B 55 71.256 -26.980 61.475 1.00 0.00 O ATOM 0 H ASP B 55 71.432 -23.704 60.678 1.00 0.00 H new ATOM 0 HA ASP B 55 73.669 -25.022 62.106 1.00 0.00 H new ATOM 0 HB2 ASP B 55 70.680 -24.691 62.631 1.00 0.00 H new ATOM 0 HB3 ASP B 55 71.721 -25.654 63.661 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.265 -1.779 35.581 1.00 0.00 CD HETATM 1678 CD CD B 56 90.327 -21.562 39.128 1.00 0.00 CD