USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=24 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= -6.74! C(o=-9.3!,f=-10!) USER MOD Set 1.2: B 44 GLN : amide:sc= -2.54! C(o=-9.3!,f=-10!) USER MOD Single : A 1 PHE N :NH3+ 149:sc= 0.968 (180deg=0.285) USER MOD Single : A 7 LYS NZ :NH3+ -120:sc= 0.614 (180deg=-0.0006) USER MOD Single : A 9 GLN : amide:sc=-0.00881 K(o=-0.0088,f=-1.4!) USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.201) USER MOD Single : A 15 TYR OH : rot -55:sc= 1.13 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -1.64 F(o=-2.4,f=-1.6) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0415 K(o=-0.042,f=-1.7!) USER MOD Single : A 22 MET CE :methyl 156:sc= -0.144 (180deg=-1.65) USER MOD Single : A 24 SER OG : rot 75:sc= 0.0069 USER MOD Single : A 27 ASN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 121:sc= 0.0669 USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= -0.0601 (180deg=-0.586) USER MOD Single : A 46 LYS NZ :NH3+ 162:sc= -0.0724 (180deg=-0.641) USER MOD Single : A 50 MET CE :methyl -154:sc= -0.227 (180deg=-1.2) USER MOD Single : A 51 HIS : no HD1:sc= -0.236 K(o=-0.24,f=-1) USER MOD Single : A 53 GLN : amide:sc= -0.872 K(o=-0.87,f=-1.4!) USER MOD Single : B 1 PHE N :NH3+ 137:sc= 0.989 (180deg=0.281) USER MOD Single : B 7 LYS NZ :NH3+ -120:sc= 0.616 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 14 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.197) USER MOD Single : B 15 TYR OH : rot -46:sc= 1.04 USER MOD Single : B 16 HIS :FLIP no HD1:sc= -1.61 F(o=-2.4,f=-1.6) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.0231 K(o=-0.023,f=-1.8!) USER MOD Single : B 22 MET CE :methyl 157:sc= -0.164 (180deg=-1.6) USER MOD Single : B 24 SER OG : rot 75:sc= 0.00621 USER MOD Single : B 27 ASN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 118:sc= 0.0673 USER MOD Single : B 42 LYS NZ :NH3+ -160:sc= -0.117 (180deg=-0.612) USER MOD Single : B 46 LYS NZ :NH3+ 158:sc= -0.122 (180deg=-0.673) USER MOD Single : B 50 MET CE :methyl -139:sc= -0.204 (180deg=-1.17) USER MOD Single : B 51 HIS : no HD1:sc= -0.244 K(o=-0.24,f=-1) USER MOD Single : B 53 GLN : amide:sc= -0.86 X(o=-0.86,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.401 -4.497 24.303 1.00 0.00 N ATOM 2 CA PHE A 1 95.135 -3.734 25.352 1.00 0.00 C ATOM 3 C PHE A 1 95.154 -2.258 24.975 1.00 0.00 C ATOM 4 O PHE A 1 96.195 -1.665 24.773 1.00 0.00 O ATOM 5 CB PHE A 1 96.563 -4.247 25.434 1.00 0.00 C ATOM 6 CG PHE A 1 96.549 -5.756 25.468 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.113 -6.423 26.616 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.970 -6.490 24.348 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.098 -7.823 26.649 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.954 -7.889 24.383 1.00 0.00 C ATOM 11 CZ PHE A 1 96.520 -8.555 25.533 1.00 0.00 C ATOM 0 H1 PHE A 1 94.795 -5.457 24.233 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.394 -4.554 24.556 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.502 -4.014 23.388 1.00 0.00 H new ATOM 0 HA PHE A 1 94.641 -3.862 26.315 1.00 0.00 H new ATOM 0 HB2 PHE A 1 97.138 -3.896 24.577 1.00 0.00 H new ATOM 0 HB3 PHE A 1 97.052 -3.856 26.327 1.00 0.00 H new ATOM 0 HD1 PHE A 1 95.788 -5.859 27.478 1.00 0.00 H new ATOM 0 HD2 PHE A 1 97.306 -5.975 23.460 1.00 0.00 H new ATOM 0 HE1 PHE A 1 95.761 -8.338 27.536 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.277 -8.454 23.521 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.510 -9.635 25.560 1.00 0.00 H new ATOM 23 N LEU A 2 94.004 -1.670 24.862 1.00 0.00 N ATOM 24 CA LEU A 2 93.917 -0.230 24.476 1.00 0.00 C ATOM 25 C LEU A 2 93.734 0.648 25.707 1.00 0.00 C ATOM 26 O LEU A 2 93.018 0.315 26.623 1.00 0.00 O ATOM 27 CB LEU A 2 92.725 -0.027 23.535 1.00 0.00 C ATOM 28 CG LEU A 2 92.895 -0.879 22.269 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.681 -0.669 21.357 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.177 -0.474 21.517 1.00 0.00 C ATOM 0 H LEU A 2 93.106 -2.126 25.021 1.00 0.00 H new ATOM 0 HA LEU A 2 94.844 0.052 23.977 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.801 -0.300 24.044 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.641 1.026 23.265 1.00 0.00 H new ATOM 0 HG LEU A 2 92.972 -1.928 22.553 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.795 -1.271 20.456 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.775 -0.970 21.883 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.609 0.384 21.084 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.283 -1.087 20.622 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.115 0.576 21.232 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.041 -0.624 22.164 1.00 0.00 H new ATOM 42 N ASP A 3 94.366 1.787 25.718 1.00 0.00 N ATOM 43 CA ASP A 3 94.210 2.707 26.871 1.00 0.00 C ATOM 44 C ASP A 3 92.734 3.072 26.983 1.00 0.00 C ATOM 45 O ASP A 3 92.178 3.145 28.061 1.00 0.00 O ATOM 46 CB ASP A 3 95.049 3.968 26.648 1.00 0.00 C ATOM 47 CG ASP A 3 96.532 3.624 26.794 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.826 2.608 27.401 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.349 4.383 26.298 1.00 0.00 O ATOM 0 H ASP A 3 94.984 2.119 24.977 1.00 0.00 H new ATOM 0 HA ASP A 3 94.550 2.228 27.789 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.855 4.376 25.656 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.770 4.736 27.369 1.00 0.00 H new ATOM 54 N GLY A 4 92.087 3.284 25.867 1.00 0.00 N ATOM 55 CA GLY A 4 90.635 3.623 25.894 1.00 0.00 C ATOM 56 C GLY A 4 89.910 2.656 26.832 1.00 0.00 C ATOM 57 O GLY A 4 88.795 2.895 27.248 1.00 0.00 O ATOM 0 H GLY A 4 92.503 3.237 24.937 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.495 4.650 26.232 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.215 3.558 24.890 1.00 0.00 H new ATOM 61 N ILE A 5 90.547 1.570 27.183 1.00 0.00 N ATOM 62 CA ILE A 5 89.903 0.602 28.112 1.00 0.00 C ATOM 63 C ILE A 5 89.610 1.313 29.435 1.00 0.00 C ATOM 64 O ILE A 5 88.565 1.135 30.029 1.00 0.00 O ATOM 65 CB ILE A 5 90.842 -0.593 28.339 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.867 -1.468 27.081 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.351 -1.425 29.531 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.986 -2.509 27.204 1.00 0.00 C ATOM 0 H ILE A 5 91.482 1.314 26.867 1.00 0.00 H new ATOM 0 HA ILE A 5 88.970 0.233 27.687 1.00 0.00 H new ATOM 0 HB ILE A 5 91.846 -0.225 28.549 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.906 -1.965 26.952 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.027 -0.849 26.198 1.00 0.00 H new ATOM 0 HG21 ILE A 5 91.022 -2.270 29.686 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.337 -0.804 30.427 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.345 -1.792 29.328 1.00 0.00 H new ATOM 0 HD11 ILE A 5 92.004 -3.131 26.309 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.945 -2.002 27.312 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.806 -3.135 28.078 1.00 0.00 H new ATOM 80 N ASP A 6 90.517 2.131 29.891 1.00 0.00 N ATOM 81 CA ASP A 6 90.278 2.871 31.161 1.00 0.00 C ATOM 82 C ASP A 6 89.028 3.732 30.984 1.00 0.00 C ATOM 83 O ASP A 6 88.202 3.849 31.867 1.00 0.00 O ATOM 84 CB ASP A 6 91.484 3.763 31.466 1.00 0.00 C ATOM 85 CG ASP A 6 91.274 4.472 32.804 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.214 4.301 33.385 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.177 5.176 33.226 1.00 0.00 O ATOM 0 H ASP A 6 91.412 2.319 29.440 1.00 0.00 H new ATOM 0 HA ASP A 6 90.138 2.174 31.987 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.393 3.163 31.500 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.616 4.497 30.671 1.00 0.00 H new ATOM 92 N LYS A 7 88.886 4.325 29.830 1.00 0.00 N ATOM 93 CA LYS A 7 87.693 5.175 29.556 1.00 0.00 C ATOM 94 C LYS A 7 86.447 4.290 29.567 1.00 0.00 C ATOM 95 O LYS A 7 85.387 4.694 30.003 1.00 0.00 O ATOM 96 CB LYS A 7 87.851 5.838 28.181 1.00 0.00 C ATOM 97 CG LYS A 7 86.637 6.722 27.884 1.00 0.00 C ATOM 98 CD LYS A 7 86.826 7.403 26.526 1.00 0.00 C ATOM 99 CE LYS A 7 85.625 8.307 26.227 1.00 0.00 C ATOM 100 NZ LYS A 7 84.489 7.477 25.737 1.00 0.00 N ATOM 0 H LYS A 7 89.551 4.256 29.059 1.00 0.00 H new ATOM 0 HA LYS A 7 87.598 5.950 30.317 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.761 6.437 28.159 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.953 5.075 27.410 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.728 6.121 27.879 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.519 7.472 28.666 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.744 7.991 26.528 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.931 6.652 25.743 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.332 8.850 27.126 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.894 9.052 25.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 84.222 7.785 24.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 84.775 6.477 25.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 83.676 7.589 26.376 1.00 0.00 H new ATOM 114 N ALA A 8 86.571 3.083 29.090 1.00 0.00 N ATOM 115 CA ALA A 8 85.404 2.159 29.067 1.00 0.00 C ATOM 116 C ALA A 8 84.885 1.959 30.492 1.00 0.00 C ATOM 117 O ALA A 8 83.696 1.864 30.720 1.00 0.00 O ATOM 118 CB ALA A 8 85.835 0.811 28.488 1.00 0.00 C ATOM 0 H ALA A 8 87.436 2.695 28.713 1.00 0.00 H new ATOM 0 HA ALA A 8 84.614 2.585 28.449 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.982 0.133 28.470 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.207 0.953 27.473 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.624 0.385 29.107 1.00 0.00 H new ATOM 124 N GLN A 9 85.762 1.897 31.455 1.00 0.00 N ATOM 125 CA GLN A 9 85.302 1.710 32.859 1.00 0.00 C ATOM 126 C GLN A 9 84.389 2.873 33.252 1.00 0.00 C ATOM 127 O GLN A 9 83.388 2.692 33.916 1.00 0.00 O ATOM 128 CB GLN A 9 86.516 1.664 33.795 1.00 0.00 C ATOM 129 CG GLN A 9 87.292 0.364 33.568 1.00 0.00 C ATOM 130 CD GLN A 9 88.570 0.374 34.410 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.074 1.423 34.760 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.119 -0.760 34.754 1.00 0.00 N ATOM 0 H GLN A 9 86.772 1.967 31.332 1.00 0.00 H new ATOM 0 HA GLN A 9 84.751 0.773 32.942 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.163 2.522 33.611 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.190 1.728 34.833 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.674 -0.492 33.838 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.541 0.257 32.512 1.00 0.00 H new ATOM 0 HE21 GLN A 9 88.697 -1.641 34.461 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.970 -0.765 35.316 1.00 0.00 H new ATOM 141 N GLU A 10 84.725 4.067 32.847 1.00 0.00 N ATOM 142 CA GLU A 10 83.876 5.243 33.194 1.00 0.00 C ATOM 143 C GLU A 10 82.464 5.064 32.624 1.00 0.00 C ATOM 144 O GLU A 10 81.485 5.414 33.254 1.00 0.00 O ATOM 145 CB GLU A 10 84.507 6.516 32.617 1.00 0.00 C ATOM 146 CG GLU A 10 83.649 7.732 32.982 1.00 0.00 C ATOM 147 CD GLU A 10 84.308 9.005 32.446 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.426 8.911 31.965 1.00 0.00 O ATOM 149 OE2 GLU A 10 83.687 10.051 32.529 1.00 0.00 O ATOM 0 H GLU A 10 85.552 4.280 32.290 1.00 0.00 H new ATOM 0 HA GLU A 10 83.810 5.326 34.279 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.517 6.642 33.008 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.592 6.432 31.534 1.00 0.00 H new ATOM 0 HG2 GLU A 10 82.649 7.623 32.562 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.535 7.797 34.064 1.00 0.00 H new ATOM 156 N GLU A 11 82.347 4.548 31.428 1.00 0.00 N ATOM 157 CA GLU A 11 80.993 4.377 30.808 1.00 0.00 C ATOM 158 C GLU A 11 80.429 2.985 31.102 1.00 0.00 C ATOM 159 O GLU A 11 79.350 2.645 30.659 1.00 0.00 O ATOM 160 CB GLU A 11 81.096 4.567 29.293 1.00 0.00 C ATOM 161 CG GLU A 11 81.380 6.038 28.981 1.00 0.00 C ATOM 162 CD GLU A 11 81.606 6.205 27.478 1.00 0.00 C ATOM 163 OE1 GLU A 11 81.538 5.211 26.774 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.846 7.324 27.056 1.00 0.00 O ATOM 0 H GLU A 11 83.129 4.237 30.851 1.00 0.00 H new ATOM 0 HA GLU A 11 80.324 5.124 31.235 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.891 3.939 28.890 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.169 4.255 28.813 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.544 6.658 29.305 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.258 6.375 29.531 1.00 0.00 H new ATOM 171 N CYS A 12 81.132 2.174 31.846 1.00 0.00 N ATOM 172 CA CYS A 12 80.604 0.812 32.156 1.00 0.00 C ATOM 173 C CYS A 12 79.152 0.938 32.631 1.00 0.00 C ATOM 174 O CYS A 12 78.294 0.161 32.262 1.00 0.00 O ATOM 175 CB CYS A 12 81.448 0.174 33.262 1.00 0.00 C ATOM 176 SG CYS A 12 80.907 -1.534 33.524 1.00 0.00 S ATOM 0 H CYS A 12 82.043 2.392 32.250 1.00 0.00 H new ATOM 0 HA CYS A 12 80.650 0.187 31.264 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.503 0.195 32.987 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.348 0.744 34.185 1.00 0.00 H new ATOM 181 N GLU A 13 78.876 1.927 33.437 1.00 0.00 N ATOM 182 CA GLU A 13 77.487 2.131 33.934 1.00 0.00 C ATOM 183 C GLU A 13 76.554 2.382 32.744 1.00 0.00 C ATOM 184 O GLU A 13 75.436 1.908 32.706 1.00 0.00 O ATOM 185 CB GLU A 13 77.463 3.343 34.867 1.00 0.00 C ATOM 186 CG GLU A 13 78.197 3.002 36.166 1.00 0.00 C ATOM 187 CD GLU A 13 78.178 4.214 37.098 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.783 5.277 36.647 1.00 0.00 O ATOM 189 OE2 GLU A 13 78.559 4.060 38.246 1.00 0.00 O ATOM 0 H GLU A 13 79.558 2.606 33.774 1.00 0.00 H new ATOM 0 HA GLU A 13 77.154 1.245 34.475 1.00 0.00 H new ATOM 0 HB2 GLU A 13 77.936 4.197 34.383 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.434 3.629 35.083 1.00 0.00 H new ATOM 0 HG2 GLU A 13 77.722 2.150 36.651 1.00 0.00 H new ATOM 0 HG3 GLU A 13 79.225 2.713 35.950 1.00 0.00 H new ATOM 196 N LYS A 14 77.006 3.135 31.776 1.00 0.00 N ATOM 197 CA LYS A 14 76.152 3.433 30.588 1.00 0.00 C ATOM 198 C LYS A 14 75.797 2.128 29.870 1.00 0.00 C ATOM 199 O LYS A 14 74.688 1.947 29.408 1.00 0.00 O ATOM 200 CB LYS A 14 76.922 4.359 29.635 1.00 0.00 C ATOM 201 CG LYS A 14 76.078 4.695 28.391 1.00 0.00 C ATOM 202 CD LYS A 14 74.802 5.448 28.799 1.00 0.00 C ATOM 203 CE LYS A 14 74.242 6.213 27.595 1.00 0.00 C ATOM 204 NZ LYS A 14 73.962 5.261 26.483 1.00 0.00 N ATOM 0 H LYS A 14 77.934 3.558 31.757 1.00 0.00 H new ATOM 0 HA LYS A 14 75.233 3.923 30.909 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.192 5.278 30.155 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.852 3.880 29.329 1.00 0.00 H new ATOM 0 HG2 LYS A 14 76.662 5.303 27.700 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.814 3.778 27.864 1.00 0.00 H new ATOM 0 HD2 LYS A 14 74.058 4.745 29.173 1.00 0.00 H new ATOM 0 HD3 LYS A 14 75.022 6.141 29.611 1.00 0.00 H new ATOM 0 HE2 LYS A 14 73.329 6.737 27.877 1.00 0.00 H new ATOM 0 HE3 LYS A 14 74.955 6.970 27.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 73.400 5.739 25.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 74.860 4.933 26.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 73.431 4.445 26.850 1.00 0.00 H new ATOM 218 N TYR A 15 76.731 1.219 29.763 1.00 0.00 N ATOM 219 CA TYR A 15 76.442 -0.069 29.065 1.00 0.00 C ATOM 220 C TYR A 15 75.839 -1.064 30.059 1.00 0.00 C ATOM 221 O TYR A 15 75.220 -2.036 29.676 1.00 0.00 O ATOM 222 CB TYR A 15 77.742 -0.640 28.495 1.00 0.00 C ATOM 223 CG TYR A 15 78.274 0.290 27.430 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.774 0.217 26.126 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.265 1.228 27.749 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.262 1.078 25.138 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.754 2.091 26.760 1.00 0.00 C ATOM 228 CZ TYR A 15 79.254 2.016 25.454 1.00 0.00 C ATOM 229 OH TYR A 15 79.736 2.866 24.479 1.00 0.00 O ATOM 0 H TYR A 15 77.679 1.312 30.128 1.00 0.00 H new ATOM 0 HA TYR A 15 75.735 0.106 28.254 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.479 -0.760 29.289 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.564 -1.629 28.074 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.010 -0.506 25.882 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.651 1.285 28.756 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.874 1.020 24.132 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.517 2.815 27.005 1.00 0.00 H new ATOM 0 HH TYR A 15 80.055 2.341 23.716 1.00 0.00 H new ATOM 239 N HIS A 16 76.005 -0.819 31.330 1.00 0.00 N ATOM 240 CA HIS A 16 75.432 -1.737 32.357 1.00 0.00 C ATOM 241 C HIS A 16 75.967 -3.158 32.154 1.00 0.00 C ATOM 242 O HIS A 16 77.159 -3.380 32.069 1.00 0.00 O ATOM 243 CB HIS A 16 73.902 -1.739 32.250 1.00 0.00 C ATOM 244 CG HIS A 16 73.395 -0.322 32.239 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.037 0.516 31.210 1.00 0.00 N flip ATOM 246 CD2 HIS A 16 73.197 0.403 33.406 1.00 0.00 C flip ATOM 247 CE1 HIS A 16 72.623 1.737 31.730 1.00 0.00 C flip ATOM 248 NE2 HIS A 16 72.738 1.619 33.054 1.00 0.00 N flip ATOM 0 H HIS A 16 76.515 -0.019 31.704 1.00 0.00 H new ATOM 0 HA HIS A 16 75.726 -1.388 33.347 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.592 -2.254 31.341 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.469 -2.284 33.089 1.00 0.00 H new ATOM 0 HD2 HIS A 16 73.378 0.055 34.412 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.280 2.600 31.178 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.507 2.358 33.717 1.00 0.00 H new ATOM 257 N SER A 17 75.089 -4.126 32.093 1.00 0.00 N ATOM 258 CA SER A 17 75.528 -5.542 31.913 1.00 0.00 C ATOM 259 C SER A 17 75.721 -5.858 30.431 1.00 0.00 C ATOM 260 O SER A 17 76.213 -6.910 30.072 1.00 0.00 O ATOM 261 CB SER A 17 74.460 -6.467 32.481 1.00 0.00 C ATOM 262 OG SER A 17 73.339 -6.485 31.607 1.00 0.00 O ATOM 0 H SER A 17 74.080 -3.995 32.161 1.00 0.00 H new ATOM 0 HA SER A 17 76.475 -5.688 32.432 1.00 0.00 H new ATOM 0 HB2 SER A 17 74.860 -7.474 32.598 1.00 0.00 H new ATOM 0 HB3 SER A 17 74.158 -6.127 33.471 1.00 0.00 H new ATOM 0 HG SER A 17 72.651 -7.081 31.970 1.00 0.00 H new ATOM 268 N ASN A 18 75.322 -4.974 29.567 1.00 0.00 N ATOM 269 CA ASN A 18 75.470 -5.247 28.108 1.00 0.00 C ATOM 270 C ASN A 18 76.921 -5.011 27.685 1.00 0.00 C ATOM 271 O ASN A 18 77.240 -4.026 27.049 1.00 0.00 O ATOM 272 CB ASN A 18 74.565 -4.301 27.314 1.00 0.00 C ATOM 273 CG ASN A 18 73.099 -4.674 27.539 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.793 -5.776 27.944 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.175 -3.790 27.282 1.00 0.00 N ATOM 0 H ASN A 18 74.900 -4.076 29.802 1.00 0.00 H new ATOM 0 HA ASN A 18 75.190 -6.282 27.910 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.739 -3.271 27.625 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.805 -4.359 26.252 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.192 -4.024 27.421 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.435 -2.864 26.942 1.00 0.00 H new ATOM 282 N TRP A 19 77.803 -5.912 28.026 1.00 0.00 N ATOM 283 CA TRP A 19 79.231 -5.743 27.634 1.00 0.00 C ATOM 284 C TRP A 19 79.373 -5.930 26.123 1.00 0.00 C ATOM 285 O TRP A 19 80.295 -5.430 25.509 1.00 0.00 O ATOM 286 CB TRP A 19 80.092 -6.779 28.362 1.00 0.00 C ATOM 287 CG TRP A 19 79.614 -8.158 28.035 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.674 -8.834 28.733 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.037 -9.043 26.954 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.489 -10.074 28.150 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.305 -10.250 27.052 1.00 0.00 C ATOM 292 CE3 TRP A 19 80.971 -8.917 25.908 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.493 -11.295 26.146 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.162 -9.969 24.995 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.424 -11.155 25.115 1.00 0.00 C ATOM 0 H TRP A 19 77.596 -6.757 28.559 1.00 0.00 H new ATOM 0 HA TRP A 19 79.563 -4.742 27.908 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.136 -6.668 28.069 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.043 -6.613 29.438 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.153 -8.465 29.604 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.829 -10.774 28.490 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.544 -8.007 25.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.922 -12.206 26.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.881 -9.863 24.197 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.576 -11.960 24.411 1.00 0.00 H new ATOM 306 N ARG A 20 78.472 -6.657 25.517 1.00 0.00 N ATOM 307 CA ARG A 20 78.566 -6.882 24.048 1.00 0.00 C ATOM 308 C ARG A 20 78.496 -5.541 23.316 1.00 0.00 C ATOM 309 O ARG A 20 79.200 -5.309 22.352 1.00 0.00 O ATOM 310 CB ARG A 20 77.405 -7.765 23.593 1.00 0.00 C ATOM 311 CG ARG A 20 77.603 -9.184 24.129 1.00 0.00 C ATOM 312 CD ARG A 20 76.443 -10.070 23.673 1.00 0.00 C ATOM 313 NE ARG A 20 76.533 -11.397 24.342 1.00 0.00 N ATOM 314 CZ ARG A 20 75.495 -12.186 24.361 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.377 -11.803 23.806 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.570 -13.355 24.938 1.00 0.00 N ATOM 0 H ARG A 20 77.678 -7.103 25.976 1.00 0.00 H new ATOM 0 HA ARG A 20 79.512 -7.372 23.819 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.461 -7.357 23.954 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.351 -7.780 22.504 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.548 -9.591 23.769 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.656 -9.168 25.218 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.492 -9.594 23.914 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.472 -10.195 22.591 1.00 0.00 H new ATOM 0 HE ARG A 20 77.405 -11.688 24.784 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.317 -10.888 23.359 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.564 -12.419 23.820 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.442 -13.653 25.375 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.757 -13.970 24.951 1.00 0.00 H new ATOM 330 N ALA A 21 77.651 -4.656 23.766 1.00 0.00 N ATOM 331 CA ALA A 21 77.533 -3.330 23.096 1.00 0.00 C ATOM 332 C ALA A 21 78.840 -2.554 23.274 1.00 0.00 C ATOM 333 O ALA A 21 79.339 -1.940 22.353 1.00 0.00 O ATOM 334 CB ALA A 21 76.381 -2.544 23.728 1.00 0.00 C ATOM 0 H ALA A 21 77.037 -4.793 24.569 1.00 0.00 H new ATOM 0 HA ALA A 21 77.337 -3.472 22.033 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.292 -1.573 23.240 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.451 -3.099 23.604 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.579 -2.399 24.790 1.00 0.00 H new ATOM 340 N MET A 22 79.400 -2.582 24.452 1.00 0.00 N ATOM 341 CA MET A 22 80.677 -1.850 24.688 1.00 0.00 C ATOM 342 C MET A 22 81.769 -2.427 23.785 1.00 0.00 C ATOM 343 O MET A 22 82.562 -1.706 23.216 1.00 0.00 O ATOM 344 CB MET A 22 81.080 -2.004 26.157 1.00 0.00 C ATOM 345 CG MET A 22 82.346 -1.192 26.430 1.00 0.00 C ATOM 346 SD MET A 22 82.653 -1.145 28.214 1.00 0.00 S ATOM 347 CE MET A 22 82.936 -2.916 28.450 1.00 0.00 C ATOM 0 H MET A 22 79.029 -3.080 25.261 1.00 0.00 H new ATOM 0 HA MET A 22 80.546 -0.793 24.458 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.271 -1.664 26.804 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.253 -3.055 26.389 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.196 -1.638 25.915 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.233 -0.180 26.042 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.542 -3.072 29.342 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.979 -3.425 28.568 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.457 -3.320 27.582 1.00 0.00 H new ATOM 357 N ALA A 23 81.811 -3.721 23.636 1.00 0.00 N ATOM 358 CA ALA A 23 82.852 -4.331 22.761 1.00 0.00 C ATOM 359 C ALA A 23 82.712 -3.771 21.342 1.00 0.00 C ATOM 360 O ALA A 23 83.687 -3.493 20.672 1.00 0.00 O ATOM 361 CB ALA A 23 82.662 -5.848 22.734 1.00 0.00 C ATOM 0 H ALA A 23 81.173 -4.381 24.080 1.00 0.00 H new ATOM 0 HA ALA A 23 83.843 -4.095 23.148 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.421 -6.298 22.095 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.757 -6.245 23.745 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.672 -6.084 22.343 1.00 0.00 H new ATOM 367 N SER A 24 81.502 -3.607 20.881 1.00 0.00 N ATOM 368 CA SER A 24 81.282 -3.068 19.507 1.00 0.00 C ATOM 369 C SER A 24 81.804 -1.630 19.415 1.00 0.00 C ATOM 370 O SER A 24 82.375 -1.232 18.419 1.00 0.00 O ATOM 371 CB SER A 24 79.786 -3.084 19.188 1.00 0.00 C ATOM 372 OG SER A 24 79.330 -4.430 19.140 1.00 0.00 O ATOM 0 H SER A 24 80.651 -3.824 21.400 1.00 0.00 H new ATOM 0 HA SER A 24 81.820 -3.690 18.791 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.235 -2.528 19.946 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.601 -2.591 18.234 1.00 0.00 H new ATOM 0 HG SER A 24 79.260 -4.784 20.051 1.00 0.00 H new ATOM 378 N ASP A 25 81.593 -0.843 20.435 1.00 0.00 N ATOM 379 CA ASP A 25 82.055 0.575 20.395 1.00 0.00 C ATOM 380 C ASP A 25 83.581 0.643 20.448 1.00 0.00 C ATOM 381 O ASP A 25 84.195 1.435 19.761 1.00 0.00 O ATOM 382 CB ASP A 25 81.479 1.328 21.594 1.00 0.00 C ATOM 383 CG ASP A 25 79.975 1.521 21.405 1.00 0.00 C ATOM 384 OD1 ASP A 25 79.531 1.480 20.269 1.00 0.00 O ATOM 385 OD2 ASP A 25 79.294 1.716 22.397 1.00 0.00 O ATOM 0 H ASP A 25 81.120 -1.121 21.295 1.00 0.00 H new ATOM 0 HA ASP A 25 81.712 1.029 19.465 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.672 0.772 22.512 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.970 2.296 21.698 1.00 0.00 H new ATOM 390 N PHE A 26 84.202 -0.180 21.245 1.00 0.00 N ATOM 391 CA PHE A 26 85.695 -0.160 21.324 1.00 0.00 C ATOM 392 C PHE A 26 86.257 -1.203 20.355 1.00 0.00 C ATOM 393 O PHE A 26 87.454 -1.348 20.203 1.00 0.00 O ATOM 394 CB PHE A 26 86.147 -0.479 22.752 1.00 0.00 C ATOM 395 CG PHE A 26 85.813 0.681 23.668 1.00 0.00 C ATOM 396 CD1 PHE A 26 86.745 1.709 23.853 1.00 0.00 C ATOM 397 CD2 PHE A 26 84.578 0.730 24.332 1.00 0.00 C ATOM 398 CE1 PHE A 26 86.446 2.784 24.699 1.00 0.00 C ATOM 399 CE2 PHE A 26 84.282 1.806 25.180 1.00 0.00 C ATOM 400 CZ PHE A 26 85.216 2.832 25.363 1.00 0.00 C ATOM 0 H PHE A 26 83.744 -0.866 21.846 1.00 0.00 H new ATOM 0 HA PHE A 26 86.063 0.830 21.054 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.656 -1.386 23.105 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.220 -0.671 22.769 1.00 0.00 H new ATOM 0 HD1 PHE A 26 87.696 1.673 23.342 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.856 -0.061 24.190 1.00 0.00 H new ATOM 0 HE1 PHE A 26 87.166 3.577 24.839 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.332 1.843 25.693 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.987 3.661 26.017 1.00 0.00 H new ATOM 410 N ASN A 27 85.393 -1.918 19.684 1.00 0.00 N ATOM 411 CA ASN A 27 85.856 -2.944 18.705 1.00 0.00 C ATOM 412 C ASN A 27 86.867 -3.885 19.366 1.00 0.00 C ATOM 413 O ASN A 27 87.935 -4.128 18.841 1.00 0.00 O ATOM 414 CB ASN A 27 86.514 -2.244 17.514 1.00 0.00 C ATOM 415 CG ASN A 27 85.504 -1.300 16.859 1.00 0.00 C ATOM 416 OD1 ASN A 27 85.760 -0.119 16.722 1.00 0.00 O ATOM 417 ND2 ASN A 27 84.359 -1.770 16.446 1.00 0.00 N ATOM 0 H ASN A 27 84.380 -1.834 19.773 1.00 0.00 H new ATOM 0 HA ASN A 27 85.000 -3.527 18.365 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.390 -1.685 17.845 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.861 -2.982 16.791 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.680 -1.147 16.009 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.143 -2.760 16.560 1.00 0.00 H new ATOM 424 N LEU A 28 86.532 -4.415 20.516 1.00 0.00 N ATOM 425 CA LEU A 28 87.460 -5.348 21.237 1.00 0.00 C ATOM 426 C LEU A 28 86.788 -6.719 21.383 1.00 0.00 C ATOM 427 O LEU A 28 85.579 -6.811 21.423 1.00 0.00 O ATOM 428 CB LEU A 28 87.732 -4.784 22.634 1.00 0.00 C ATOM 429 CG LEU A 28 88.664 -3.564 22.540 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.565 -2.742 23.831 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.125 -4.021 22.336 1.00 0.00 C ATOM 0 H LEU A 28 85.647 -4.241 20.993 1.00 0.00 H new ATOM 0 HA LEU A 28 88.391 -5.450 20.679 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.793 -4.498 23.108 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.186 -5.551 23.262 1.00 0.00 H new ATOM 0 HG LEU A 28 88.360 -2.954 21.690 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.226 -1.878 23.764 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.538 -2.404 23.969 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.861 -3.360 24.679 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.774 -3.148 22.271 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.433 -4.640 23.178 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.200 -4.598 21.414 1.00 0.00 H new ATOM 443 N PRO A 29 87.555 -7.784 21.475 1.00 0.00 N ATOM 444 CA PRO A 29 86.988 -9.154 21.635 1.00 0.00 C ATOM 445 C PRO A 29 86.457 -9.377 23.064 1.00 0.00 C ATOM 446 O PRO A 29 86.908 -8.738 23.995 1.00 0.00 O ATOM 447 CB PRO A 29 88.183 -10.070 21.342 1.00 0.00 C ATOM 448 CG PRO A 29 89.375 -9.271 21.755 1.00 0.00 C ATOM 449 CD PRO A 29 89.032 -7.810 21.437 1.00 0.00 C ATOM 0 HA PRO A 29 86.138 -9.338 20.978 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.116 -11.002 21.903 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.230 -10.336 20.286 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.584 -9.401 22.817 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.266 -9.590 21.214 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.464 -7.128 22.169 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.413 -7.512 20.460 1.00 0.00 H new ATOM 457 N PRO A 30 85.512 -10.271 23.249 1.00 0.00 N ATOM 458 CA PRO A 30 84.940 -10.555 24.597 1.00 0.00 C ATOM 459 C PRO A 30 86.010 -10.633 25.698 1.00 0.00 C ATOM 460 O PRO A 30 85.716 -10.494 26.868 1.00 0.00 O ATOM 461 CB PRO A 30 84.264 -11.921 24.418 1.00 0.00 C ATOM 462 CG PRO A 30 83.874 -11.980 22.973 1.00 0.00 C ATOM 463 CD PRO A 30 84.882 -11.107 22.205 1.00 0.00 C ATOM 0 HA PRO A 30 84.265 -9.762 24.918 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.943 -12.733 24.676 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.392 -12.017 25.065 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.895 -13.007 22.608 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.858 -11.613 22.831 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.621 -11.717 21.684 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.385 -10.495 21.452 1.00 0.00 H new ATOM 471 N VAL A 31 87.241 -10.880 25.339 1.00 0.00 N ATOM 472 CA VAL A 31 88.307 -10.993 26.376 1.00 0.00 C ATOM 473 C VAL A 31 88.417 -9.692 27.174 1.00 0.00 C ATOM 474 O VAL A 31 88.309 -9.684 28.384 1.00 0.00 O ATOM 475 CB VAL A 31 89.650 -11.286 25.690 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.810 -11.129 26.687 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.635 -12.720 25.157 1.00 0.00 C ATOM 0 H VAL A 31 87.554 -11.008 24.377 1.00 0.00 H new ATOM 0 HA VAL A 31 88.052 -11.803 27.059 1.00 0.00 H new ATOM 0 HB VAL A 31 89.792 -10.580 24.872 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.753 -11.340 26.184 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.824 -10.109 27.071 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.676 -11.826 27.514 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.585 -12.936 24.668 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.486 -13.414 25.984 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.823 -12.833 24.438 1.00 0.00 H new ATOM 487 N VAL A 32 88.650 -8.598 26.510 1.00 0.00 N ATOM 488 CA VAL A 32 88.788 -7.309 27.239 1.00 0.00 C ATOM 489 C VAL A 32 87.431 -6.866 27.786 1.00 0.00 C ATOM 490 O VAL A 32 87.333 -6.363 28.886 1.00 0.00 O ATOM 491 CB VAL A 32 89.344 -6.246 26.294 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.407 -4.895 27.014 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.750 -6.657 25.848 1.00 0.00 C ATOM 0 H VAL A 32 88.751 -8.540 25.497 1.00 0.00 H new ATOM 0 HA VAL A 32 89.474 -7.442 28.075 1.00 0.00 H new ATOM 0 HB VAL A 32 88.694 -6.156 25.424 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.804 -4.140 26.336 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.406 -4.606 27.333 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.056 -4.977 27.886 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.153 -5.902 25.173 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.397 -6.746 26.721 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.702 -7.616 25.333 1.00 0.00 H new ATOM 503 N ALA A 33 86.380 -7.040 27.029 1.00 0.00 N ATOM 504 CA ALA A 33 85.040 -6.615 27.522 1.00 0.00 C ATOM 505 C ALA A 33 84.706 -7.371 28.808 1.00 0.00 C ATOM 506 O ALA A 33 84.363 -6.782 29.813 1.00 0.00 O ATOM 507 CB ALA A 33 83.986 -6.909 26.455 1.00 0.00 C ATOM 0 H ALA A 33 86.392 -7.455 26.097 1.00 0.00 H new ATOM 0 HA ALA A 33 85.049 -5.545 27.729 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.006 -6.598 26.816 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.228 -6.361 25.544 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.972 -7.978 26.242 1.00 0.00 H new ATOM 513 N LYS A 34 84.823 -8.669 28.797 1.00 0.00 N ATOM 514 CA LYS A 34 84.531 -9.445 30.036 1.00 0.00 C ATOM 515 C LYS A 34 85.473 -8.993 31.152 1.00 0.00 C ATOM 516 O LYS A 34 85.084 -8.872 32.297 1.00 0.00 O ATOM 517 CB LYS A 34 84.716 -10.944 29.785 1.00 0.00 C ATOM 518 CG LYS A 34 83.563 -11.467 28.924 1.00 0.00 C ATOM 519 CD LYS A 34 83.748 -12.966 28.673 1.00 0.00 C ATOM 520 CE LYS A 34 82.583 -13.492 27.832 1.00 0.00 C ATOM 521 NZ LYS A 34 82.914 -14.849 27.314 1.00 0.00 N ATOM 0 H LYS A 34 85.106 -9.224 27.990 1.00 0.00 H new ATOM 0 HA LYS A 34 83.497 -9.264 30.330 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.668 -11.124 29.285 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.747 -11.481 30.733 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.611 -11.287 29.424 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.532 -10.930 27.976 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.692 -13.145 28.158 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.796 -13.501 29.622 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.676 -13.533 28.435 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.384 -12.813 27.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 82.121 -15.205 26.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.769 -14.797 26.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 83.083 -15.494 28.112 1.00 0.00 H new ATOM 535 N GLU A 35 86.711 -8.750 30.828 1.00 0.00 N ATOM 536 CA GLU A 35 87.684 -8.315 31.870 1.00 0.00 C ATOM 537 C GLU A 35 87.219 -7.005 32.506 1.00 0.00 C ATOM 538 O GLU A 35 87.320 -6.820 33.703 1.00 0.00 O ATOM 539 CB GLU A 35 89.052 -8.101 31.221 1.00 0.00 C ATOM 540 CG GLU A 35 90.104 -7.820 32.300 1.00 0.00 C ATOM 541 CD GLU A 35 90.002 -6.366 32.776 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.396 -5.570 32.080 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.534 -6.074 33.836 1.00 0.00 O ATOM 0 H GLU A 35 87.093 -8.834 29.886 1.00 0.00 H new ATOM 0 HA GLU A 35 87.752 -9.083 32.641 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.334 -8.984 30.647 1.00 0.00 H new ATOM 0 HB3 GLU A 35 89.005 -7.267 30.521 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.961 -8.497 33.142 1.00 0.00 H new ATOM 0 HG3 GLU A 35 91.101 -8.011 31.904 1.00 0.00 H new ATOM 550 N ILE A 36 86.708 -6.093 31.726 1.00 0.00 N ATOM 551 CA ILE A 36 86.241 -4.805 32.310 1.00 0.00 C ATOM 552 C ILE A 36 85.128 -5.108 33.315 1.00 0.00 C ATOM 553 O ILE A 36 85.083 -4.556 34.396 1.00 0.00 O ATOM 554 CB ILE A 36 85.725 -3.893 31.195 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.904 -3.462 30.317 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.076 -2.653 31.809 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.383 -2.768 29.057 1.00 0.00 C ATOM 0 H ILE A 36 86.594 -6.183 30.716 1.00 0.00 H new ATOM 0 HA ILE A 36 87.061 -4.295 32.816 1.00 0.00 H new ATOM 0 HB ILE A 36 84.990 -4.428 30.594 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.556 -2.787 30.872 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.503 -4.331 30.044 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.709 -2.003 31.015 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.244 -2.955 32.445 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.812 -2.115 32.406 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.225 -2.463 28.435 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.750 -3.457 28.498 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.803 -1.889 29.339 1.00 0.00 H new ATOM 569 N VAL A 37 84.252 -6.014 32.977 1.00 0.00 N ATOM 570 CA VAL A 37 83.164 -6.396 33.920 1.00 0.00 C ATOM 571 C VAL A 37 83.807 -7.076 35.129 1.00 0.00 C ATOM 572 O VAL A 37 83.415 -6.870 36.261 1.00 0.00 O ATOM 573 CB VAL A 37 82.205 -7.367 33.221 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.231 -7.961 34.244 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.417 -6.612 32.146 1.00 0.00 C ATOM 0 H VAL A 37 84.243 -6.508 32.085 1.00 0.00 H new ATOM 0 HA VAL A 37 82.602 -5.518 34.239 1.00 0.00 H new ATOM 0 HB VAL A 37 82.777 -8.173 32.761 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.552 -8.650 33.742 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.791 -8.497 35.011 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.657 -7.159 34.708 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.734 -7.299 31.646 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.847 -5.807 32.610 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.109 -6.192 31.415 1.00 0.00 H new ATOM 585 N ALA A 38 84.797 -7.889 34.887 1.00 0.00 N ATOM 586 CA ALA A 38 85.487 -8.597 36.000 1.00 0.00 C ATOM 587 C ALA A 38 86.122 -7.580 36.959 1.00 0.00 C ATOM 588 O ALA A 38 86.452 -7.904 38.082 1.00 0.00 O ATOM 589 CB ALA A 38 86.578 -9.509 35.421 1.00 0.00 C ATOM 0 H ALA A 38 85.161 -8.095 33.957 1.00 0.00 H new ATOM 0 HA ALA A 38 84.760 -9.195 36.550 1.00 0.00 H new ATOM 0 HB1 ALA A 38 87.086 -10.029 36.233 1.00 0.00 H new ATOM 0 HB2 ALA A 38 86.124 -10.238 34.750 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.300 -8.907 34.868 1.00 0.00 H new ATOM 595 N SER A 39 86.312 -6.358 36.525 1.00 0.00 N ATOM 596 CA SER A 39 86.945 -5.338 37.419 1.00 0.00 C ATOM 597 C SER A 39 85.863 -4.522 38.126 1.00 0.00 C ATOM 598 O SER A 39 85.971 -4.222 39.298 1.00 0.00 O ATOM 599 CB SER A 39 87.814 -4.398 36.581 1.00 0.00 C ATOM 600 OG SER A 39 88.950 -5.106 36.107 1.00 0.00 O ATOM 0 H SER A 39 86.058 -6.024 35.595 1.00 0.00 H new ATOM 0 HA SER A 39 87.558 -5.847 38.163 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.240 -4.005 35.742 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.128 -3.543 37.180 1.00 0.00 H new ATOM 0 HG SER A 39 88.963 -5.085 35.127 1.00 0.00 H new ATOM 606 N CYS A 40 84.815 -4.170 37.437 1.00 0.00 N ATOM 607 CA CYS A 40 83.737 -3.386 38.097 1.00 0.00 C ATOM 608 C CYS A 40 83.228 -4.176 39.305 1.00 0.00 C ATOM 609 O CYS A 40 82.939 -5.350 39.208 1.00 0.00 O ATOM 610 CB CYS A 40 82.597 -3.144 37.102 1.00 0.00 C ATOM 611 SG CYS A 40 81.689 -1.653 37.577 1.00 0.00 S ATOM 0 H CYS A 40 84.659 -4.389 36.453 1.00 0.00 H new ATOM 0 HA CYS A 40 84.120 -2.421 38.428 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.997 -3.034 36.094 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.925 -4.002 37.086 1.00 0.00 H new ATOM 616 N ASP A 41 83.133 -3.550 40.444 1.00 0.00 N ATOM 617 CA ASP A 41 82.663 -4.274 41.659 1.00 0.00 C ATOM 618 C ASP A 41 81.146 -4.468 41.614 1.00 0.00 C ATOM 619 O ASP A 41 80.622 -5.442 42.119 1.00 0.00 O ATOM 620 CB ASP A 41 83.035 -3.464 42.904 1.00 0.00 C ATOM 621 CG ASP A 41 84.551 -3.501 43.101 1.00 0.00 C ATOM 622 OD1 ASP A 41 85.170 -4.430 42.607 1.00 0.00 O ATOM 623 OD2 ASP A 41 85.068 -2.600 43.741 1.00 0.00 O ATOM 0 H ASP A 41 83.361 -2.566 40.587 1.00 0.00 H new ATOM 0 HA ASP A 41 83.141 -5.253 41.694 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.697 -2.434 42.795 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.533 -3.873 43.781 1.00 0.00 H new ATOM 628 N LYS A 42 80.431 -3.543 41.036 1.00 0.00 N ATOM 629 CA LYS A 42 78.946 -3.677 40.990 1.00 0.00 C ATOM 630 C LYS A 42 78.540 -4.807 40.035 1.00 0.00 C ATOM 631 O LYS A 42 77.627 -5.560 40.312 1.00 0.00 O ATOM 632 CB LYS A 42 78.343 -2.360 40.496 1.00 0.00 C ATOM 633 CG LYS A 42 78.544 -1.273 41.556 1.00 0.00 C ATOM 634 CD LYS A 42 77.939 0.042 41.060 1.00 0.00 C ATOM 635 CE LYS A 42 78.138 1.133 42.117 1.00 0.00 C ATOM 636 NZ LYS A 42 77.472 0.727 43.387 1.00 0.00 N ATOM 0 H LYS A 42 80.807 -2.704 40.595 1.00 0.00 H new ATOM 0 HA LYS A 42 78.578 -3.911 41.989 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.815 -2.061 39.560 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.280 -2.489 40.290 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.073 -1.572 42.492 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.607 -1.142 41.761 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.410 0.340 40.123 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.877 -0.090 40.855 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.202 1.297 42.289 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.723 2.077 41.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 77.308 1.568 43.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.562 0.272 43.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 78.081 0.058 43.900 1.00 0.00 H new ATOM 650 N CYS A 43 79.203 -4.936 38.915 1.00 0.00 N ATOM 651 CA CYS A 43 78.841 -6.021 37.950 1.00 0.00 C ATOM 652 C CYS A 43 79.558 -7.321 38.321 1.00 0.00 C ATOM 653 O CYS A 43 79.341 -8.350 37.714 1.00 0.00 O ATOM 654 CB CYS A 43 79.229 -5.605 36.531 1.00 0.00 C ATOM 655 SG CYS A 43 78.421 -4.038 36.118 1.00 0.00 S ATOM 0 H CYS A 43 79.978 -4.339 38.626 1.00 0.00 H new ATOM 0 HA CYS A 43 77.764 -6.186 37.996 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.311 -5.499 36.455 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.933 -6.377 35.821 1.00 0.00 H new ATOM 660 N GLN A 44 80.417 -7.287 39.304 1.00 0.00 N ATOM 661 CA GLN A 44 81.148 -8.530 39.691 1.00 0.00 C ATOM 662 C GLN A 44 80.172 -9.517 40.337 1.00 0.00 C ATOM 663 O GLN A 44 80.012 -10.632 39.882 1.00 0.00 O ATOM 664 CB GLN A 44 82.258 -8.173 40.690 1.00 0.00 C ATOM 665 CG GLN A 44 83.084 -9.417 41.039 1.00 0.00 C ATOM 666 CD GLN A 44 83.867 -9.877 39.806 1.00 0.00 C ATOM 667 OE1 GLN A 44 83.889 -11.050 39.489 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.519 -8.998 39.095 1.00 0.00 N ATOM 0 H GLN A 44 80.644 -6.458 39.853 1.00 0.00 H new ATOM 0 HA GLN A 44 81.588 -8.988 38.805 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.906 -7.406 40.265 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.820 -7.754 41.596 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.771 -9.193 41.855 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.428 -10.216 41.385 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.501 -8.013 39.360 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.046 -9.296 38.274 1.00 0.00 H new ATOM 677 N LEU A 45 79.526 -9.121 41.396 1.00 0.00 N ATOM 678 CA LEU A 45 78.563 -10.038 42.076 1.00 0.00 C ATOM 679 C LEU A 45 77.172 -9.876 41.464 1.00 0.00 C ATOM 680 O LEU A 45 76.742 -8.783 41.156 1.00 0.00 O ATOM 681 CB LEU A 45 78.491 -9.690 43.562 1.00 0.00 C ATOM 682 CG LEU A 45 79.874 -9.842 44.206 1.00 0.00 C ATOM 683 CD1 LEU A 45 79.794 -9.386 45.664 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.333 -11.311 44.145 1.00 0.00 C ATOM 0 H LEU A 45 79.622 -8.200 41.824 1.00 0.00 H new ATOM 0 HA LEU A 45 78.902 -11.066 41.949 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.133 -8.668 43.687 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.775 -10.342 44.062 1.00 0.00 H new ATOM 0 HG LEU A 45 80.595 -9.230 43.664 1.00 0.00 H new ATOM 0 HD11 LEU A 45 80.773 -9.490 46.132 1.00 0.00 H new ATOM 0 HD12 LEU A 45 79.483 -8.342 45.702 1.00 0.00 H new ATOM 0 HD13 LEU A 45 79.069 -10.001 46.198 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.316 -11.404 44.606 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.620 -11.937 44.681 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.388 -11.632 43.105 1.00 0.00 H new ATOM 696 N LYS A 46 76.458 -10.954 41.304 1.00 0.00 N ATOM 697 CA LYS A 46 75.087 -10.861 40.733 1.00 0.00 C ATOM 698 C LYS A 46 74.129 -10.419 41.838 1.00 0.00 C ATOM 699 O LYS A 46 74.421 -10.549 43.010 1.00 0.00 O ATOM 700 CB LYS A 46 74.657 -12.231 40.207 1.00 0.00 C ATOM 701 CG LYS A 46 75.536 -12.623 39.018 1.00 0.00 C ATOM 702 CD LYS A 46 75.103 -13.993 38.493 1.00 0.00 C ATOM 703 CE LYS A 46 75.982 -14.385 37.305 1.00 0.00 C ATOM 704 NZ LYS A 46 77.403 -14.461 37.744 1.00 0.00 N ATOM 0 H LYS A 46 76.765 -11.897 41.544 1.00 0.00 H new ATOM 0 HA LYS A 46 75.073 -10.142 39.914 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.741 -12.978 40.996 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.610 -12.204 39.905 1.00 0.00 H new ATOM 0 HG2 LYS A 46 75.452 -11.876 38.228 1.00 0.00 H new ATOM 0 HG3 LYS A 46 76.583 -12.652 39.320 1.00 0.00 H new ATOM 0 HD2 LYS A 46 75.186 -14.740 39.283 1.00 0.00 H new ATOM 0 HD3 LYS A 46 74.056 -13.964 38.191 1.00 0.00 H new ATOM 0 HE2 LYS A 46 75.662 -15.347 36.904 1.00 0.00 H new ATOM 0 HE3 LYS A 46 75.876 -13.654 36.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 77.952 -15.008 37.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 77.796 -13.501 37.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 77.455 -14.927 38.672 1.00 0.00 H new ATOM 718 N GLY A 47 72.988 -9.899 41.483 1.00 0.00 N ATOM 719 CA GLY A 47 72.021 -9.456 42.525 1.00 0.00 C ATOM 720 C GLY A 47 71.658 -10.636 43.433 1.00 0.00 C ATOM 721 O GLY A 47 70.869 -10.507 44.347 1.00 0.00 O ATOM 0 H GLY A 47 72.684 -9.762 40.519 1.00 0.00 H new ATOM 0 HA2 GLY A 47 72.454 -8.650 43.117 1.00 0.00 H new ATOM 0 HA3 GLY A 47 71.122 -9.058 42.054 1.00 0.00 H new ATOM 725 N GLU A 48 72.228 -11.790 43.190 1.00 0.00 N ATOM 726 CA GLU A 48 71.913 -12.976 44.040 1.00 0.00 C ATOM 727 C GLU A 48 72.881 -13.021 45.224 1.00 0.00 C ATOM 728 O GLU A 48 72.550 -12.612 46.319 1.00 0.00 O ATOM 729 CB GLU A 48 72.071 -14.248 43.201 1.00 0.00 C ATOM 730 CG GLU A 48 71.640 -15.466 44.021 1.00 0.00 C ATOM 731 CD GLU A 48 71.803 -16.730 43.175 1.00 0.00 C ATOM 732 OE1 GLU A 48 72.090 -16.597 41.997 1.00 0.00 O ATOM 733 OE2 GLU A 48 71.630 -17.809 43.717 1.00 0.00 O ATOM 0 H GLU A 48 72.897 -11.961 42.440 1.00 0.00 H new ATOM 0 HA GLU A 48 70.890 -12.906 44.411 1.00 0.00 H new ATOM 0 HB2 GLU A 48 71.468 -14.175 42.296 1.00 0.00 H new ATOM 0 HB3 GLU A 48 73.108 -14.360 42.884 1.00 0.00 H new ATOM 0 HG2 GLU A 48 72.242 -15.541 44.926 1.00 0.00 H new ATOM 0 HG3 GLU A 48 70.602 -15.357 44.337 1.00 0.00 H new ATOM 740 N ALA A 49 74.075 -13.502 45.015 1.00 0.00 N ATOM 741 CA ALA A 49 75.064 -13.562 46.132 1.00 0.00 C ATOM 742 C ALA A 49 74.469 -14.336 47.313 1.00 0.00 C ATOM 743 O ALA A 49 74.403 -13.841 48.421 1.00 0.00 O ATOM 744 CB ALA A 49 75.422 -12.145 46.581 1.00 0.00 C ATOM 0 H ALA A 49 74.410 -13.857 44.119 1.00 0.00 H new ATOM 0 HA ALA A 49 75.963 -14.070 45.784 1.00 0.00 H new ATOM 0 HB1 ALA A 49 76.144 -12.193 47.396 1.00 0.00 H new ATOM 0 HB2 ALA A 49 75.855 -11.597 45.744 1.00 0.00 H new ATOM 0 HB3 ALA A 49 74.522 -11.633 46.923 1.00 0.00 H new ATOM 750 N MET A 50 74.043 -15.550 47.086 1.00 0.00 N ATOM 751 CA MET A 50 73.454 -16.370 48.191 1.00 0.00 C ATOM 752 C MET A 50 73.692 -17.851 47.894 1.00 0.00 C ATOM 753 O MET A 50 73.085 -18.425 47.013 1.00 0.00 O ATOM 754 CB MET A 50 71.943 -16.119 48.299 1.00 0.00 C ATOM 755 CG MET A 50 71.675 -14.710 48.836 1.00 0.00 C ATOM 756 SD MET A 50 69.890 -14.471 49.038 1.00 0.00 S ATOM 757 CE MET A 50 69.430 -14.557 47.289 1.00 0.00 C ATOM 0 H MET A 50 74.077 -16.014 46.178 1.00 0.00 H new ATOM 0 HA MET A 50 73.928 -16.089 49.131 1.00 0.00 H new ATOM 0 HB2 MET A 50 71.477 -16.237 47.321 1.00 0.00 H new ATOM 0 HB3 MET A 50 71.491 -16.859 48.959 1.00 0.00 H new ATOM 0 HG2 MET A 50 72.182 -14.570 49.791 1.00 0.00 H new ATOM 0 HG3 MET A 50 72.077 -13.965 48.150 1.00 0.00 H new ATOM 0 HE1 MET A 50 68.507 -14.000 47.128 1.00 0.00 H new ATOM 0 HE2 MET A 50 70.226 -14.125 46.682 1.00 0.00 H new ATOM 0 HE3 MET A 50 69.280 -15.598 47.003 1.00 0.00 H new ATOM 767 N HIS A 51 74.583 -18.468 48.623 1.00 0.00 N ATOM 768 CA HIS A 51 74.881 -19.909 48.387 1.00 0.00 C ATOM 769 C HIS A 51 73.859 -20.780 49.121 1.00 0.00 C ATOM 770 O HIS A 51 73.306 -20.390 50.132 1.00 0.00 O ATOM 771 CB HIS A 51 76.283 -20.224 48.914 1.00 0.00 C ATOM 772 CG HIS A 51 76.685 -21.606 48.481 1.00 0.00 C ATOM 773 ND1 HIS A 51 76.417 -22.729 49.251 1.00 0.00 N ATOM 774 CD2 HIS A 51 77.340 -22.064 47.364 1.00 0.00 C ATOM 775 CE1 HIS A 51 76.906 -23.797 48.594 1.00 0.00 C ATOM 776 NE2 HIS A 51 77.477 -23.444 47.441 1.00 0.00 N ATOM 0 H HIS A 51 75.119 -18.034 49.374 1.00 0.00 H new ATOM 0 HA HIS A 51 74.829 -20.118 47.318 1.00 0.00 H new ATOM 0 HB2 HIS A 51 76.997 -19.492 48.537 1.00 0.00 H new ATOM 0 HB3 HIS A 51 76.298 -20.154 50.002 1.00 0.00 H new ATOM 0 HD2 HIS A 51 77.694 -21.447 46.552 1.00 0.00 H new ATOM 0 HE1 HIS A 51 76.844 -24.813 48.955 1.00 0.00 H new ATOM 0 HE2 HIS A 51 77.921 -24.059 46.759 1.00 0.00 H new ATOM 785 N GLY A 52 73.606 -21.962 48.620 1.00 0.00 N ATOM 786 CA GLY A 52 72.623 -22.873 49.280 1.00 0.00 C ATOM 787 C GLY A 52 71.262 -22.737 48.598 1.00 0.00 C ATOM 788 O GLY A 52 70.889 -21.676 48.139 1.00 0.00 O ATOM 0 H GLY A 52 74.041 -22.337 47.777 1.00 0.00 H new ATOM 0 HA2 GLY A 52 72.970 -23.904 49.220 1.00 0.00 H new ATOM 0 HA3 GLY A 52 72.537 -22.627 50.338 1.00 0.00 H new ATOM 792 N GLN A 53 70.512 -23.805 48.532 1.00 0.00 N ATOM 793 CA GLN A 53 69.172 -23.736 47.885 1.00 0.00 C ATOM 794 C GLN A 53 68.164 -23.187 48.896 1.00 0.00 C ATOM 795 O GLN A 53 67.972 -23.745 49.959 1.00 0.00 O ATOM 796 CB GLN A 53 68.753 -25.144 47.444 1.00 0.00 C ATOM 797 CG GLN A 53 67.375 -25.099 46.774 1.00 0.00 C ATOM 798 CD GLN A 53 66.978 -26.510 46.334 1.00 0.00 C ATOM 799 OE1 GLN A 53 67.784 -27.419 46.367 1.00 0.00 O ATOM 800 NE2 GLN A 53 65.761 -26.733 45.917 1.00 0.00 N ATOM 0 H GLN A 53 70.770 -24.721 48.898 1.00 0.00 H new ATOM 0 HA GLN A 53 69.207 -23.083 47.013 1.00 0.00 H new ATOM 0 HB2 GLN A 53 69.490 -25.551 46.751 1.00 0.00 H new ATOM 0 HB3 GLN A 53 68.725 -25.810 48.306 1.00 0.00 H new ATOM 0 HG2 GLN A 53 66.634 -24.700 47.467 1.00 0.00 H new ATOM 0 HG3 GLN A 53 67.398 -24.431 45.913 1.00 0.00 H new ATOM 0 HE21 GLN A 53 65.084 -25.971 45.889 1.00 0.00 H new ATOM 0 HE22 GLN A 53 65.487 -27.669 45.619 1.00 0.00 H new ATOM 809 N VAL A 54 67.517 -22.097 48.578 1.00 0.00 N ATOM 810 CA VAL A 54 66.520 -21.511 49.524 1.00 0.00 C ATOM 811 C VAL A 54 65.123 -22.016 49.160 1.00 0.00 C ATOM 812 O VAL A 54 64.150 -21.707 49.818 1.00 0.00 O ATOM 813 CB VAL A 54 66.556 -19.984 49.427 1.00 0.00 C ATOM 814 CG1 VAL A 54 67.871 -19.467 50.015 1.00 0.00 C ATOM 815 CG2 VAL A 54 66.455 -19.562 47.960 1.00 0.00 C ATOM 0 H VAL A 54 67.635 -21.586 47.703 1.00 0.00 H new ATOM 0 HA VAL A 54 66.763 -21.811 50.543 1.00 0.00 H new ATOM 0 HB VAL A 54 65.718 -19.566 49.984 1.00 0.00 H new ATOM 0 HG11 VAL A 54 67.898 -18.379 49.946 1.00 0.00 H new ATOM 0 HG12 VAL A 54 67.945 -19.767 51.060 1.00 0.00 H new ATOM 0 HG13 VAL A 54 68.709 -19.886 49.458 1.00 0.00 H new ATOM 0 HG21 VAL A 54 66.481 -18.474 47.892 1.00 0.00 H new ATOM 0 HG22 VAL A 54 67.293 -19.981 47.402 1.00 0.00 H new ATOM 0 HG23 VAL A 54 65.519 -19.930 47.539 1.00 0.00 H new ATOM 825 N ASP A 55 65.019 -22.798 48.119 1.00 0.00 N ATOM 826 CA ASP A 55 63.688 -23.334 47.710 1.00 0.00 C ATOM 827 C ASP A 55 63.452 -24.682 48.395 1.00 0.00 C ATOM 828 O ASP A 55 62.868 -24.686 49.467 1.00 0.00 O ATOM 829 CB ASP A 55 63.659 -23.525 46.192 1.00 0.00 C ATOM 830 CG ASP A 55 62.259 -23.971 45.766 1.00 0.00 C ATOM 831 OD1 ASP A 55 61.531 -24.461 46.614 1.00 0.00 O ATOM 832 OD2 ASP A 55 61.938 -23.812 44.601 1.00 0.00 O ATOM 833 OXT ASP A 55 63.859 -25.686 47.836 1.00 0.00 O ATOM 0 H ASP A 55 65.801 -23.090 47.532 1.00 0.00 H new ATOM 0 HA ASP A 55 62.907 -22.632 48.003 1.00 0.00 H new ATOM 0 HB2 ASP A 55 63.925 -22.594 45.691 1.00 0.00 H new ATOM 0 HB3 ASP A 55 64.397 -24.269 45.893 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 95.854 -12.148 23.490 1.00 0.00 N ATOM 840 CA PHE B 1 94.856 -13.010 22.797 1.00 0.00 C ATOM 841 C PHE B 1 95.557 -14.253 22.263 1.00 0.00 C ATOM 842 O PHE B 1 95.594 -14.503 21.074 1.00 0.00 O ATOM 843 CB PHE B 1 94.249 -12.239 21.636 1.00 0.00 C ATOM 844 CG PHE B 1 93.857 -10.857 22.105 1.00 0.00 C ATOM 845 CD1 PHE B 1 92.754 -10.694 22.950 1.00 0.00 C ATOM 846 CD2 PHE B 1 94.598 -9.738 21.698 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.390 -9.412 23.385 1.00 0.00 C ATOM 848 CE2 PHE B 1 94.234 -8.458 22.135 1.00 0.00 C ATOM 849 CZ PHE B 1 93.130 -8.297 22.977 1.00 0.00 C ATOM 0 H1 PHE B 1 95.696 -11.154 23.227 1.00 0.00 H new ATOM 0 H2 PHE B 1 95.750 -12.255 24.519 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.814 -12.433 23.208 1.00 0.00 H new ATOM 0 HA PHE B 1 94.070 -13.300 23.495 1.00 0.00 H new ATOM 0 HB2 PHE B 1 94.965 -12.168 20.817 1.00 0.00 H new ATOM 0 HB3 PHE B 1 93.376 -12.766 21.251 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.184 -11.555 23.267 1.00 0.00 H new ATOM 0 HD2 PHE B 1 95.450 -9.863 21.047 1.00 0.00 H new ATOM 0 HE1 PHE B 1 91.537 -9.285 24.036 1.00 0.00 H new ATOM 0 HE2 PHE B 1 94.805 -7.597 21.822 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.848 -7.310 23.313 1.00 0.00 H new ATOM 861 N LEU B 2 96.129 -15.022 23.138 1.00 0.00 N ATOM 862 CA LEU B 2 96.861 -16.252 22.712 1.00 0.00 C ATOM 863 C LEU B 2 95.983 -17.485 22.876 1.00 0.00 C ATOM 864 O LEU B 2 95.255 -17.623 23.832 1.00 0.00 O ATOM 865 CB LEU B 2 98.121 -16.417 23.569 1.00 0.00 C ATOM 866 CG LEU B 2 99.043 -15.199 23.403 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.283 -15.385 24.282 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.474 -15.051 21.931 1.00 0.00 C ATOM 0 H LEU B 2 96.124 -14.854 24.144 1.00 0.00 H new ATOM 0 HA LEU B 2 97.131 -16.148 21.661 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.844 -16.531 24.617 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.650 -17.324 23.278 1.00 0.00 H new ATOM 0 HG LEU B 2 98.505 -14.300 23.703 1.00 0.00 H new ATOM 0 HD11 LEU B 2 100.942 -14.524 24.169 1.00 0.00 H new ATOM 0 HD12 LEU B 2 99.979 -15.475 25.325 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.812 -16.289 23.979 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.127 -14.184 21.828 1.00 0.00 H new ATOM 0 HD22 LEU B 2 100.009 -15.947 21.617 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.592 -14.917 21.305 1.00 0.00 H new ATOM 880 N ASP B 3 96.070 -18.397 21.951 1.00 0.00 N ATOM 881 CA ASP B 3 95.265 -19.639 22.061 1.00 0.00 C ATOM 882 C ASP B 3 95.668 -20.344 23.353 1.00 0.00 C ATOM 883 O ASP B 3 94.841 -20.869 24.073 1.00 0.00 O ATOM 884 CB ASP B 3 95.540 -20.546 20.859 1.00 0.00 C ATOM 885 CG ASP B 3 94.900 -19.940 19.609 1.00 0.00 C ATOM 886 OD1 ASP B 3 94.011 -19.119 19.762 1.00 0.00 O ATOM 887 OD2 ASP B 3 95.309 -20.307 18.519 1.00 0.00 O ATOM 0 H ASP B 3 96.664 -18.335 21.124 1.00 0.00 H new ATOM 0 HA ASP B 3 94.201 -19.404 22.075 1.00 0.00 H new ATOM 0 HB2 ASP B 3 96.614 -20.659 20.713 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.137 -21.542 21.041 1.00 0.00 H new ATOM 892 N GLY B 4 96.937 -20.341 23.660 1.00 0.00 N ATOM 893 CA GLY B 4 97.405 -20.990 24.920 1.00 0.00 C ATOM 894 C GLY B 4 96.505 -20.550 26.078 1.00 0.00 C ATOM 895 O GLY B 4 96.491 -21.154 27.131 1.00 0.00 O ATOM 0 H GLY B 4 97.671 -19.917 23.093 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.379 -22.075 24.816 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.440 -20.714 25.123 1.00 0.00 H new ATOM 899 N ILE B 5 95.737 -19.511 25.882 1.00 0.00 N ATOM 900 CA ILE B 5 94.823 -19.049 26.962 1.00 0.00 C ATOM 901 C ILE B 5 93.850 -20.182 27.299 1.00 0.00 C ATOM 902 O ILE B 5 93.554 -20.439 28.448 1.00 0.00 O ATOM 903 CB ILE B 5 94.057 -17.803 26.487 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.006 -16.602 26.463 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.889 -17.514 27.439 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.323 -15.426 25.753 1.00 0.00 C ATOM 0 H ILE B 5 95.705 -18.964 25.021 1.00 0.00 H new ATOM 0 HA ILE B 5 95.392 -18.786 27.854 1.00 0.00 H new ATOM 0 HB ILE B 5 93.666 -17.981 25.485 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.278 -16.319 27.480 1.00 0.00 H new ATOM 0 HG13 ILE B 5 95.930 -16.865 25.948 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.351 -16.630 27.097 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.212 -18.368 27.454 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.273 -17.338 28.444 1.00 0.00 H new ATOM 0 HD11 ILE B 5 94.998 -14.570 25.735 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.074 -15.713 24.731 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.411 -15.158 26.287 1.00 0.00 H new ATOM 918 N ASP B 6 93.368 -20.874 26.304 1.00 0.00 N ATOM 919 CA ASP B 6 92.435 -22.004 26.567 1.00 0.00 C ATOM 920 C ASP B 6 93.162 -23.028 27.440 1.00 0.00 C ATOM 921 O ASP B 6 92.603 -23.598 28.357 1.00 0.00 O ATOM 922 CB ASP B 6 92.027 -22.651 25.241 1.00 0.00 C ATOM 923 CG ASP B 6 91.016 -23.769 25.503 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.739 -24.030 26.661 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.540 -24.347 24.540 1.00 0.00 O ATOM 0 H ASP B 6 93.580 -20.706 25.321 1.00 0.00 H new ATOM 0 HA ASP B 6 91.539 -21.646 27.074 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.593 -21.902 24.578 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.905 -23.053 24.736 1.00 0.00 H new ATOM 930 N LYS B 7 94.417 -23.251 27.160 1.00 0.00 N ATOM 931 CA LYS B 7 95.214 -24.220 27.962 1.00 0.00 C ATOM 932 C LYS B 7 95.343 -23.685 29.389 1.00 0.00 C ATOM 933 O LYS B 7 95.340 -24.432 30.348 1.00 0.00 O ATOM 934 CB LYS B 7 96.604 -24.372 27.334 1.00 0.00 C ATOM 935 CG LYS B 7 97.439 -25.369 28.143 1.00 0.00 C ATOM 936 CD LYS B 7 98.811 -25.534 27.483 1.00 0.00 C ATOM 937 CE LYS B 7 99.647 -26.546 28.270 1.00 0.00 C ATOM 938 NZ LYS B 7 100.222 -25.886 29.476 1.00 0.00 N ATOM 0 H LYS B 7 94.928 -22.798 26.402 1.00 0.00 H new ATOM 0 HA LYS B 7 94.722 -25.193 27.978 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.511 -24.715 26.304 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.106 -23.405 27.304 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.556 -25.016 29.168 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.929 -26.331 28.194 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.691 -25.870 26.453 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.325 -24.574 27.447 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.028 -27.393 28.566 1.00 0.00 H new ATOM 0 HE3 LYS B 7 100.446 -26.940 27.642 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 101.260 -25.934 29.436 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.922 -24.891 29.503 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 99.886 -26.373 30.331 1.00 0.00 H new ATOM 952 N ALA B 8 95.456 -22.395 29.531 1.00 0.00 N ATOM 953 CA ALA B 8 95.586 -21.797 30.888 1.00 0.00 C ATOM 954 C ALA B 8 94.361 -22.169 31.725 1.00 0.00 C ATOM 955 O ALA B 8 94.463 -22.421 32.910 1.00 0.00 O ATOM 956 CB ALA B 8 95.677 -20.275 30.765 1.00 0.00 C ATOM 0 H ALA B 8 95.464 -21.726 28.761 1.00 0.00 H new ATOM 0 HA ALA B 8 96.486 -22.177 31.371 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.772 -19.835 31.758 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.548 -20.010 30.165 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.776 -19.894 30.284 1.00 0.00 H new ATOM 962 N GLN B 9 93.203 -22.214 31.125 1.00 0.00 N ATOM 963 CA GLN B 9 91.986 -22.579 31.901 1.00 0.00 C ATOM 964 C GLN B 9 92.161 -23.982 32.488 1.00 0.00 C ATOM 965 O GLN B 9 91.787 -24.245 33.613 1.00 0.00 O ATOM 966 CB GLN B 9 90.761 -22.553 30.979 1.00 0.00 C ATOM 967 CG GLN B 9 90.439 -21.108 30.593 1.00 0.00 C ATOM 968 CD GLN B 9 89.298 -21.088 29.573 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.083 -22.051 28.865 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.549 -20.022 29.470 1.00 0.00 N ATOM 0 H GLN B 9 93.048 -22.015 30.137 1.00 0.00 H new ATOM 0 HA GLN B 9 91.841 -21.863 32.710 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.954 -23.145 30.084 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.906 -23.005 31.481 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.157 -20.539 31.479 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.323 -20.628 30.173 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.729 -19.213 30.064 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.784 -19.999 28.795 1.00 0.00 H new ATOM 979 N GLU B 10 92.731 -24.884 31.738 1.00 0.00 N ATOM 980 CA GLU B 10 92.933 -26.269 32.252 1.00 0.00 C ATOM 981 C GLU B 10 93.819 -26.245 33.504 1.00 0.00 C ATOM 982 O GLU B 10 93.595 -26.983 34.442 1.00 0.00 O ATOM 983 CB GLU B 10 93.598 -27.125 31.168 1.00 0.00 C ATOM 984 CG GLU B 10 93.795 -28.556 31.681 1.00 0.00 C ATOM 985 CD GLU B 10 94.412 -29.415 30.578 1.00 0.00 C ATOM 986 OE1 GLU B 10 94.522 -28.926 29.466 1.00 0.00 O ATOM 987 OE2 GLU B 10 94.762 -30.548 30.863 1.00 0.00 O ATOM 0 H GLU B 10 93.067 -24.722 30.789 1.00 0.00 H new ATOM 0 HA GLU B 10 91.965 -26.696 32.513 1.00 0.00 H new ATOM 0 HB2 GLU B 10 92.981 -27.133 30.269 1.00 0.00 H new ATOM 0 HB3 GLU B 10 94.560 -26.693 30.890 1.00 0.00 H new ATOM 0 HG2 GLU B 10 94.442 -28.553 32.558 1.00 0.00 H new ATOM 0 HG3 GLU B 10 92.839 -28.977 31.992 1.00 0.00 H new ATOM 994 N GLU B 11 94.837 -25.424 33.518 1.00 0.00 N ATOM 995 CA GLU B 11 95.754 -25.380 34.703 1.00 0.00 C ATOM 996 C GLU B 11 95.304 -24.312 35.702 1.00 0.00 C ATOM 997 O GLU B 11 95.938 -24.105 36.718 1.00 0.00 O ATOM 998 CB GLU B 11 97.178 -25.064 34.237 1.00 0.00 C ATOM 999 CG GLU B 11 97.742 -26.263 33.472 1.00 0.00 C ATOM 1000 CD GLU B 11 99.115 -25.903 32.900 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.549 -24.782 33.112 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.708 -26.754 32.257 1.00 0.00 O ATOM 0 H GLU B 11 95.075 -24.782 32.762 1.00 0.00 H new ATOM 0 HA GLU B 11 95.727 -26.353 35.194 1.00 0.00 H new ATOM 0 HB2 GLU B 11 97.176 -24.180 33.599 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.811 -24.836 35.095 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.827 -27.124 34.135 1.00 0.00 H new ATOM 0 HG3 GLU B 11 97.064 -26.546 32.667 1.00 0.00 H new ATOM 1009 N CYS B 12 94.218 -23.633 35.440 1.00 0.00 N ATOM 1010 CA CYS B 12 93.751 -22.590 36.402 1.00 0.00 C ATOM 1011 C CYS B 12 93.753 -23.182 37.816 1.00 0.00 C ATOM 1012 O CYS B 12 94.149 -22.543 38.770 1.00 0.00 O ATOM 1013 CB CYS B 12 92.332 -22.151 36.035 1.00 0.00 C ATOM 1014 SG CYS B 12 91.832 -20.776 37.100 1.00 0.00 S ATOM 0 H CYS B 12 93.638 -23.753 34.609 1.00 0.00 H new ATOM 0 HA CYS B 12 94.415 -21.727 36.360 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.293 -21.848 34.989 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.640 -22.985 36.151 1.00 0.00 H new ATOM 1019 N GLU B 13 93.323 -24.406 37.947 1.00 0.00 N ATOM 1020 CA GLU B 13 93.306 -25.063 39.285 1.00 0.00 C ATOM 1021 C GLU B 13 94.735 -25.138 39.835 1.00 0.00 C ATOM 1022 O GLU B 13 94.972 -24.938 41.010 1.00 0.00 O ATOM 1023 CB GLU B 13 92.738 -26.478 39.141 1.00 0.00 C ATOM 1024 CG GLU B 13 91.242 -26.398 38.828 1.00 0.00 C ATOM 1025 CD GLU B 13 90.674 -27.810 38.680 1.00 0.00 C ATOM 1026 OE1 GLU B 13 91.460 -28.742 38.638 1.00 0.00 O ATOM 1027 OE2 GLU B 13 89.462 -27.936 38.611 1.00 0.00 O ATOM 0 H GLU B 13 92.980 -24.984 37.180 1.00 0.00 H new ATOM 0 HA GLU B 13 92.685 -24.486 39.971 1.00 0.00 H new ATOM 0 HB2 GLU B 13 93.259 -27.011 38.346 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.898 -27.041 40.060 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.721 -25.867 39.625 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.082 -25.832 37.910 1.00 0.00 H new ATOM 1034 N LYS B 14 95.687 -25.432 38.990 1.00 0.00 N ATOM 1035 CA LYS B 14 97.102 -25.532 39.452 1.00 0.00 C ATOM 1036 C LYS B 14 97.553 -24.182 40.019 1.00 0.00 C ATOM 1037 O LYS B 14 98.252 -24.122 41.013 1.00 0.00 O ATOM 1038 CB LYS B 14 97.993 -25.920 38.264 1.00 0.00 C ATOM 1039 CG LYS B 14 99.466 -26.036 38.691 1.00 0.00 C ATOM 1040 CD LYS B 14 99.632 -27.145 39.742 1.00 0.00 C ATOM 1041 CE LYS B 14 101.094 -27.604 39.784 1.00 0.00 C ATOM 1042 NZ LYS B 14 101.972 -26.443 40.098 1.00 0.00 N ATOM 0 H LYS B 14 95.545 -25.608 37.995 1.00 0.00 H new ATOM 0 HA LYS B 14 97.182 -26.291 40.231 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.656 -26.869 37.848 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.898 -25.174 37.475 1.00 0.00 H new ATOM 0 HG2 LYS B 14 100.087 -26.253 37.822 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.809 -25.085 39.099 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.328 -26.778 40.722 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.983 -27.987 39.501 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.220 -28.382 40.536 1.00 0.00 H new ATOM 0 HE3 LYS B 14 101.377 -28.039 38.825 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.919 -26.785 40.359 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 102.044 -25.827 39.263 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.567 -25.906 40.891 1.00 0.00 H new ATOM 1056 N TYR B 15 97.169 -23.100 39.396 1.00 0.00 N ATOM 1057 CA TYR B 15 97.587 -21.759 39.903 1.00 0.00 C ATOM 1058 C TYR B 15 96.595 -21.283 40.968 1.00 0.00 C ATOM 1059 O TYR B 15 96.890 -20.406 41.755 1.00 0.00 O ATOM 1060 CB TYR B 15 97.609 -20.762 38.743 1.00 0.00 C ATOM 1061 CG TYR B 15 98.672 -21.172 37.750 1.00 0.00 C ATOM 1062 CD1 TYR B 15 100.007 -20.815 37.970 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.323 -21.913 36.614 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.993 -21.196 37.054 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.311 -22.295 35.697 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.646 -21.937 35.918 1.00 0.00 C ATOM 1067 OH TYR B 15 101.621 -22.313 35.015 1.00 0.00 O ATOM 0 H TYR B 15 96.585 -23.086 38.560 1.00 0.00 H new ATOM 0 HA TYR B 15 98.582 -21.829 40.341 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.634 -20.731 38.257 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.811 -19.758 39.116 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.276 -20.245 38.847 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.293 -22.190 36.445 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.023 -20.918 37.223 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.043 -22.865 34.820 1.00 0.00 H new ATOM 0 HH TYR B 15 102.202 -21.548 34.823 1.00 0.00 H new ATOM 1077 N HIS B 16 95.427 -21.865 41.003 1.00 0.00 N ATOM 1078 CA HIS B 16 94.414 -21.465 42.023 1.00 0.00 C ATOM 1079 C HIS B 16 94.106 -19.968 41.904 1.00 0.00 C ATOM 1080 O HIS B 16 93.794 -19.469 40.842 1.00 0.00 O ATOM 1081 CB HIS B 16 94.944 -21.774 43.428 1.00 0.00 C ATOM 1082 CG HIS B 16 95.441 -23.193 43.479 1.00 0.00 C ATOM 1083 ND1 HIS B 16 96.698 -23.730 43.349 1.00 0.00 N flip ATOM 1084 CD2 HIS B 16 94.589 -24.268 43.690 1.00 0.00 C flip ATOM 1085 CE1 HIS B 16 96.627 -25.111 43.479 1.00 0.00 C flip ATOM 1086 NE2 HIS B 16 95.338 -25.387 43.682 1.00 0.00 N flip ATOM 0 H HIS B 16 95.129 -22.604 40.366 1.00 0.00 H new ATOM 0 HA HIS B 16 93.497 -22.029 41.850 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.750 -21.086 43.683 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.155 -21.628 44.166 1.00 0.00 H new ATOM 0 HD2 HIS B 16 93.520 -24.216 43.834 1.00 0.00 H new ATOM 0 HE1 HIS B 16 97.445 -25.814 43.427 1.00 0.00 H new ATOM 0 HE2 HIS B 16 94.966 -26.328 43.815 1.00 0.00 H new ATOM 1095 N SER B 17 94.178 -19.252 42.998 1.00 0.00 N ATOM 1096 CA SER B 17 93.878 -17.791 42.971 1.00 0.00 C ATOM 1097 C SER B 17 95.124 -16.996 42.577 1.00 0.00 C ATOM 1098 O SER B 17 95.064 -15.803 42.356 1.00 0.00 O ATOM 1099 CB SER B 17 93.429 -17.351 44.359 1.00 0.00 C ATOM 1100 OG SER B 17 94.551 -17.319 45.229 1.00 0.00 O ATOM 0 H SER B 17 94.434 -19.621 43.914 1.00 0.00 H new ATOM 0 HA SER B 17 93.092 -17.605 42.239 1.00 0.00 H new ATOM 0 HB2 SER B 17 92.966 -16.366 44.308 1.00 0.00 H new ATOM 0 HB3 SER B 17 92.675 -18.038 44.744 1.00 0.00 H new ATOM 0 HG SER B 17 94.265 -17.035 46.122 1.00 0.00 H new ATOM 1106 N ASN B 18 96.252 -17.637 42.506 1.00 0.00 N ATOM 1107 CA ASN B 18 97.499 -16.901 42.147 1.00 0.00 C ATOM 1108 C ASN B 18 97.539 -16.660 40.636 1.00 0.00 C ATOM 1109 O ASN B 18 98.278 -17.300 39.914 1.00 0.00 O ATOM 1110 CB ASN B 18 98.720 -17.732 42.547 1.00 0.00 C ATOM 1111 CG ASN B 18 98.834 -17.789 44.071 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.277 -16.963 44.767 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.550 -18.731 44.618 1.00 0.00 N ATOM 0 H ASN B 18 96.369 -18.635 42.680 1.00 0.00 H new ATOM 0 HA ASN B 18 97.512 -15.947 42.674 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.633 -18.740 42.142 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.624 -17.295 42.122 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.644 -18.776 45.633 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.016 -19.423 44.031 1.00 0.00 H new ATOM 1120 N TRP B 19 96.755 -15.735 40.153 1.00 0.00 N ATOM 1121 CA TRP B 19 96.755 -15.446 38.691 1.00 0.00 C ATOM 1122 C TRP B 19 98.072 -14.773 38.300 1.00 0.00 C ATOM 1123 O TRP B 19 98.501 -14.837 37.166 1.00 0.00 O ATOM 1124 CB TRP B 19 95.584 -14.521 38.349 1.00 0.00 C ATOM 1125 CG TRP B 19 95.690 -13.253 39.136 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.146 -13.055 40.358 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.361 -12.005 38.780 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.439 -11.771 40.778 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.185 -11.085 39.841 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.098 -11.587 37.656 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 96.718 -9.796 39.788 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 97.636 -10.291 37.600 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.447 -9.397 38.664 1.00 0.00 C ATOM 0 H TRP B 19 96.115 -15.167 40.708 1.00 0.00 H new ATOM 0 HA TRP B 19 96.650 -16.380 38.139 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.585 -14.298 37.282 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.640 -15.019 38.570 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.575 -13.782 40.916 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.140 -11.379 41.671 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.251 -12.267 36.831 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 96.568 -9.112 40.610 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.199 -9.981 36.732 1.00 0.00 H new ATOM 0 HH2 TRP B 19 97.864 -8.402 38.615 1.00 0.00 H new ATOM 1144 N ARG B 20 98.714 -14.118 39.230 1.00 0.00 N ATOM 1145 CA ARG B 20 99.996 -13.433 38.906 1.00 0.00 C ATOM 1146 C ARG B 20 101.020 -14.461 38.423 1.00 0.00 C ATOM 1147 O ARG B 20 101.773 -14.218 37.503 1.00 0.00 O ATOM 1148 CB ARG B 20 100.531 -12.739 40.158 1.00 0.00 C ATOM 1149 CG ARG B 20 99.634 -11.548 40.504 1.00 0.00 C ATOM 1150 CD ARG B 20 100.173 -10.850 41.754 1.00 0.00 C ATOM 1151 NE ARG B 20 99.206 -9.810 42.203 1.00 0.00 N ATOM 1152 CZ ARG B 20 99.292 -9.322 43.409 1.00 0.00 C ATOM 1153 NH1 ARG B 20 100.217 -9.755 44.221 1.00 0.00 N ATOM 1154 NH2 ARG B 20 98.454 -8.404 43.804 1.00 0.00 N ATOM 0 H ARG B 20 98.406 -14.028 40.198 1.00 0.00 H new ATOM 0 HA ARG B 20 99.823 -12.696 38.122 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.560 -13.441 40.992 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.554 -12.401 39.991 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.602 -10.848 39.669 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.612 -11.886 40.675 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.334 -11.579 42.549 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.139 -10.394 41.540 1.00 0.00 H new ATOM 0 HE ARG B 20 98.478 -9.480 41.569 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.871 -10.474 43.912 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.286 -9.374 45.165 1.00 0.00 H new ATOM 0 HH21 ARG B 20 97.730 -8.067 43.169 1.00 0.00 H new ATOM 0 HH22 ARG B 20 98.522 -8.023 44.748 1.00 0.00 H new ATOM 1168 N ALA B 21 101.053 -15.610 39.040 1.00 0.00 N ATOM 1169 CA ALA B 21 102.029 -16.654 38.620 1.00 0.00 C ATOM 1170 C ALA B 21 101.683 -17.132 37.208 1.00 0.00 C ATOM 1171 O ALA B 21 102.546 -17.302 36.370 1.00 0.00 O ATOM 1172 CB ALA B 21 101.960 -17.835 39.592 1.00 0.00 C ATOM 0 H ALA B 21 100.446 -15.871 39.817 1.00 0.00 H new ATOM 0 HA ALA B 21 103.036 -16.238 38.626 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.674 -18.600 39.286 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.203 -17.493 40.598 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.954 -18.254 39.585 1.00 0.00 H new ATOM 1178 N MET B 22 100.424 -17.344 36.937 1.00 0.00 N ATOM 1179 CA MET B 22 100.020 -17.805 35.579 1.00 0.00 C ATOM 1180 C MET B 22 100.409 -16.745 34.546 1.00 0.00 C ATOM 1181 O MET B 22 100.886 -17.055 33.474 1.00 0.00 O ATOM 1182 CB MET B 22 98.506 -18.028 35.555 1.00 0.00 C ATOM 1183 CG MET B 22 98.087 -18.577 34.190 1.00 0.00 C ATOM 1184 SD MET B 22 96.355 -19.101 34.259 1.00 0.00 S ATOM 1185 CE MET B 22 95.628 -17.473 34.569 1.00 0.00 C ATOM 0 H MET B 22 99.658 -17.218 37.598 1.00 0.00 H new ATOM 0 HA MET B 22 100.526 -18.740 35.338 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.219 -18.726 36.342 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.987 -17.090 35.755 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.217 -17.814 33.423 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.722 -19.418 33.913 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.585 -17.474 34.251 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.682 -17.247 35.634 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.178 -16.716 34.009 1.00 0.00 H new ATOM 1195 N ALA B 23 100.222 -15.494 34.858 1.00 0.00 N ATOM 1196 CA ALA B 23 100.592 -14.426 33.889 1.00 0.00 C ATOM 1197 C ALA B 23 102.085 -14.536 33.559 1.00 0.00 C ATOM 1198 O ALA B 23 102.497 -14.367 32.428 1.00 0.00 O ATOM 1199 CB ALA B 23 100.306 -13.058 34.512 1.00 0.00 C ATOM 0 H ALA B 23 99.830 -15.165 35.740 1.00 0.00 H new ATOM 0 HA ALA B 23 100.008 -14.540 32.976 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.576 -12.273 33.806 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.245 -12.982 34.752 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.893 -12.943 35.423 1.00 0.00 H new ATOM 1205 N SER B 24 102.894 -14.818 34.543 1.00 0.00 N ATOM 1206 CA SER B 24 104.362 -14.941 34.304 1.00 0.00 C ATOM 1207 C SER B 24 104.648 -16.123 33.373 1.00 0.00 C ATOM 1208 O SER B 24 105.509 -16.056 32.516 1.00 0.00 O ATOM 1209 CB SER B 24 105.080 -15.163 35.637 1.00 0.00 C ATOM 1210 OG SER B 24 104.927 -14.008 36.452 1.00 0.00 O ATOM 0 H SER B 24 102.601 -14.970 35.508 1.00 0.00 H new ATOM 0 HA SER B 24 104.722 -14.024 33.839 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.669 -16.036 36.143 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.138 -15.363 35.465 1.00 0.00 H new ATOM 0 HG SER B 24 104.016 -13.980 36.812 1.00 0.00 H new ATOM 1216 N ASP B 25 103.951 -17.213 33.548 1.00 0.00 N ATOM 1217 CA ASP B 25 104.203 -18.406 32.686 1.00 0.00 C ATOM 1218 C ASP B 25 103.736 -18.141 31.256 1.00 0.00 C ATOM 1219 O ASP B 25 104.395 -18.515 30.305 1.00 0.00 O ATOM 1220 CB ASP B 25 103.433 -19.602 33.247 1.00 0.00 C ATOM 1221 CG ASP B 25 104.081 -20.065 34.551 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.250 -19.777 34.746 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.398 -20.707 35.332 1.00 0.00 O ATOM 0 H ASP B 25 103.219 -17.330 34.249 1.00 0.00 H new ATOM 0 HA ASP B 25 105.273 -18.614 32.677 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.393 -19.327 33.424 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.429 -20.416 32.523 1.00 0.00 H new ATOM 1228 N PHE B 26 102.620 -17.489 31.087 1.00 0.00 N ATOM 1229 CA PHE B 26 102.130 -17.193 29.705 1.00 0.00 C ATOM 1230 C PHE B 26 102.619 -15.803 29.291 1.00 0.00 C ATOM 1231 O PHE B 26 102.390 -15.355 28.185 1.00 0.00 O ATOM 1232 CB PHE B 26 100.599 -17.239 29.671 1.00 0.00 C ATOM 1233 CG PHE B 26 100.124 -18.668 29.828 1.00 0.00 C ATOM 1234 CD1 PHE B 26 99.936 -19.467 28.691 1.00 0.00 C ATOM 1235 CD2 PHE B 26 99.868 -19.197 31.102 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.496 -20.789 28.828 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.428 -20.519 31.235 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.241 -21.315 30.098 1.00 0.00 C ATOM 0 H PHE B 26 102.025 -17.148 31.842 1.00 0.00 H new ATOM 0 HA PHE B 26 102.517 -17.940 29.012 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.190 -16.621 30.470 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.235 -16.827 28.730 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.131 -19.062 27.709 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.010 -18.584 31.980 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.353 -21.403 27.951 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.232 -20.926 32.216 1.00 0.00 H new ATOM 0 HZ PHE B 26 98.900 -22.334 30.202 1.00 0.00 H new ATOM 1248 N ASN B 27 103.312 -15.129 30.170 1.00 0.00 N ATOM 1249 CA ASN B 27 103.843 -13.775 29.837 1.00 0.00 C ATOM 1250 C ASN B 27 102.715 -12.883 29.311 1.00 0.00 C ATOM 1251 O ASN B 27 102.841 -12.257 28.278 1.00 0.00 O ATOM 1252 CB ASN B 27 104.930 -13.907 28.770 1.00 0.00 C ATOM 1253 CG ASN B 27 106.052 -14.804 29.295 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.392 -15.795 28.679 1.00 0.00 O ATOM 1255 ND2 ASN B 27 106.647 -14.500 30.416 1.00 0.00 N ATOM 0 H ASN B 27 103.534 -15.460 31.109 1.00 0.00 H new ATOM 0 HA ASN B 27 104.262 -13.323 30.736 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.509 -14.329 27.857 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.325 -12.924 28.514 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.396 -15.094 30.773 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.363 -13.669 30.935 1.00 0.00 H new ATOM 1262 N LEU B 28 101.613 -12.824 30.018 1.00 0.00 N ATOM 1263 CA LEU B 28 100.456 -11.976 29.579 1.00 0.00 C ATOM 1264 C LEU B 28 100.179 -10.905 30.643 1.00 0.00 C ATOM 1265 O LEU B 28 100.463 -11.105 31.806 1.00 0.00 O ATOM 1266 CB LEU B 28 99.219 -12.869 29.447 1.00 0.00 C ATOM 1267 CG LEU B 28 99.337 -13.757 28.197 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.364 -14.939 28.312 1.00 0.00 C ATOM 1269 CD2 LEU B 28 99.002 -12.944 26.928 1.00 0.00 C ATOM 0 H LEU B 28 101.462 -13.332 30.890 1.00 0.00 H new ATOM 0 HA LEU B 28 100.686 -11.499 28.626 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.114 -13.491 30.336 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.322 -12.253 29.381 1.00 0.00 H new ATOM 0 HG LEU B 28 100.360 -14.126 28.124 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.449 -15.568 27.425 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.608 -15.526 29.198 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.344 -14.564 28.395 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.090 -13.586 26.051 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.983 -12.563 26.998 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.696 -12.109 26.837 1.00 0.00 H new ATOM 1281 N PRO B 29 99.619 -9.778 30.263 1.00 0.00 N ATOM 1282 CA PRO B 29 99.301 -8.687 31.231 1.00 0.00 C ATOM 1283 C PRO B 29 98.071 -9.043 32.088 1.00 0.00 C ATOM 1284 O PRO B 29 97.234 -9.819 31.671 1.00 0.00 O ATOM 1285 CB PRO B 29 99.013 -7.481 30.329 1.00 0.00 C ATOM 1286 CG PRO B 29 98.488 -8.079 29.065 1.00 0.00 C ATOM 1287 CD PRO B 29 99.231 -9.408 28.885 1.00 0.00 C ATOM 0 HA PRO B 29 100.108 -8.504 31.941 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.284 -6.810 30.784 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.915 -6.896 30.147 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.412 -8.239 29.127 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.663 -7.416 28.218 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.593 -10.166 28.431 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.102 -9.296 28.239 1.00 0.00 H new ATOM 1295 N PRO B 30 97.952 -8.489 33.273 1.00 0.00 N ATOM 1296 CA PRO B 30 96.793 -8.773 34.170 1.00 0.00 C ATOM 1297 C PRO B 30 95.450 -8.802 33.424 1.00 0.00 C ATOM 1298 O PRO B 30 94.481 -9.362 33.898 1.00 0.00 O ATOM 1299 CB PRO B 30 96.821 -7.609 35.170 1.00 0.00 C ATOM 1300 CG PRO B 30 98.258 -7.196 35.251 1.00 0.00 C ATOM 1301 CD PRO B 30 98.896 -7.536 33.893 1.00 0.00 C ATOM 0 HA PRO B 30 96.877 -9.757 34.630 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.193 -6.785 34.833 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.445 -7.918 36.145 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.342 -6.130 35.462 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.766 -7.722 36.059 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.022 -6.645 33.279 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.884 -7.979 34.018 1.00 0.00 H new ATOM 1309 N VAL B 31 95.375 -8.183 32.277 1.00 0.00 N ATOM 1310 CA VAL B 31 94.083 -8.160 31.531 1.00 0.00 C ATOM 1311 C VAL B 31 93.626 -9.584 31.207 1.00 0.00 C ATOM 1312 O VAL B 31 92.535 -9.990 31.557 1.00 0.00 O ATOM 1313 CB VAL B 31 94.270 -7.374 30.224 1.00 0.00 C ATOM 1314 CG1 VAL B 31 93.054 -7.566 29.301 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.423 -5.888 30.553 1.00 0.00 C ATOM 0 H VAL B 31 96.148 -7.694 31.825 1.00 0.00 H new ATOM 0 HA VAL B 31 93.324 -7.682 32.150 1.00 0.00 H new ATOM 0 HB VAL B 31 95.160 -7.741 29.713 1.00 0.00 H new ATOM 0 HG11 VAL B 31 93.204 -7.002 28.380 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.940 -8.624 29.064 1.00 0.00 H new ATOM 0 HG13 VAL B 31 92.156 -7.208 29.804 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.556 -5.323 29.630 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.530 -5.536 31.069 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.292 -5.745 31.195 1.00 0.00 H new ATOM 1325 N VAL B 32 94.440 -10.338 30.527 1.00 0.00 N ATOM 1326 CA VAL B 32 94.035 -11.724 30.168 1.00 0.00 C ATOM 1327 C VAL B 32 94.020 -12.609 31.415 1.00 0.00 C ATOM 1328 O VAL B 32 93.149 -13.436 31.585 1.00 0.00 O ATOM 1329 CB VAL B 32 95.010 -12.290 29.137 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.651 -13.747 28.828 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.924 -11.459 27.856 1.00 0.00 C ATOM 0 H VAL B 32 95.366 -10.056 30.205 1.00 0.00 H new ATOM 0 HA VAL B 32 93.032 -11.704 29.743 1.00 0.00 H new ATOM 0 HB VAL B 32 96.024 -12.249 29.535 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.349 -14.146 28.092 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.710 -14.338 29.742 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.638 -13.795 28.430 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.618 -11.858 27.116 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.909 -11.502 27.462 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.184 -10.424 28.076 1.00 0.00 H new ATOM 1341 N ALA B 33 94.978 -12.450 32.289 1.00 0.00 N ATOM 1342 CA ALA B 33 95.003 -13.298 33.513 1.00 0.00 C ATOM 1343 C ALA B 33 93.721 -13.071 34.315 1.00 0.00 C ATOM 1344 O ALA B 33 93.028 -14.004 34.670 1.00 0.00 O ATOM 1345 CB ALA B 33 96.221 -12.932 34.363 1.00 0.00 C ATOM 0 H ALA B 33 95.738 -11.775 32.208 1.00 0.00 H new ATOM 0 HA ALA B 33 95.068 -14.349 33.230 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.239 -13.553 35.259 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.131 -13.100 33.787 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.162 -11.882 34.650 1.00 0.00 H new ATOM 1351 N LYS B 34 93.384 -11.842 34.587 1.00 0.00 N ATOM 1352 CA LYS B 34 92.129 -11.574 35.344 1.00 0.00 C ATOM 1353 C LYS B 34 90.936 -12.125 34.565 1.00 0.00 C ATOM 1354 O LYS B 34 90.013 -12.676 35.130 1.00 0.00 O ATOM 1355 CB LYS B 34 91.948 -10.069 35.567 1.00 0.00 C ATOM 1356 CG LYS B 34 92.946 -9.580 36.619 1.00 0.00 C ATOM 1357 CD LYS B 34 92.764 -8.076 36.840 1.00 0.00 C ATOM 1358 CE LYS B 34 93.748 -7.594 37.908 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.808 -6.105 37.894 1.00 0.00 N ATOM 0 H LYS B 34 93.919 -11.016 34.320 1.00 0.00 H new ATOM 0 HA LYS B 34 92.192 -12.066 36.315 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.100 -9.532 34.631 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.929 -9.860 35.893 1.00 0.00 H new ATOM 0 HG2 LYS B 34 92.794 -10.116 37.556 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.965 -9.789 36.293 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.931 -7.538 35.907 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.741 -7.865 37.151 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.436 -7.947 38.891 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.738 -8.010 37.720 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.477 -5.778 38.620 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.125 -5.779 36.959 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.864 -5.718 38.094 1.00 0.00 H new ATOM 1373 N GLU B 35 90.945 -11.971 33.271 1.00 0.00 N ATOM 1374 CA GLU B 35 89.808 -12.474 32.451 1.00 0.00 C ATOM 1375 C GLU B 35 89.666 -13.988 32.626 1.00 0.00 C ATOM 1376 O GLU B 35 88.571 -14.507 32.721 1.00 0.00 O ATOM 1377 CB GLU B 35 90.072 -12.159 30.977 1.00 0.00 C ATOM 1378 CG GLU B 35 88.840 -12.519 30.136 1.00 0.00 C ATOM 1379 CD GLU B 35 88.781 -14.032 29.902 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.793 -14.687 30.091 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.719 -14.511 29.540 1.00 0.00 O ATOM 0 H GLU B 35 91.692 -11.518 32.745 1.00 0.00 H new ATOM 0 HA GLU B 35 88.888 -11.988 32.776 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.307 -11.101 30.859 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.939 -12.719 30.626 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.935 -12.187 30.644 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.879 -11.997 29.180 1.00 0.00 H new ATOM 1388 N ILE B 36 90.756 -14.703 32.675 1.00 0.00 N ATOM 1389 CA ILE B 36 90.656 -16.179 32.849 1.00 0.00 C ATOM 1390 C ILE B 36 89.966 -16.461 34.184 1.00 0.00 C ATOM 1391 O ILE B 36 89.108 -17.315 34.285 1.00 0.00 O ATOM 1392 CB ILE B 36 92.057 -16.793 32.828 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.642 -16.653 31.419 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.971 -18.276 33.192 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.126 -17.022 31.436 1.00 0.00 C ATOM 0 H ILE B 36 91.704 -14.333 32.603 1.00 0.00 H new ATOM 0 HA ILE B 36 90.076 -16.621 32.039 1.00 0.00 H new ATOM 0 HB ILE B 36 92.693 -16.279 33.548 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.105 -17.300 30.726 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.516 -15.631 31.063 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.970 -18.713 33.177 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.544 -18.382 34.189 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.338 -18.792 32.470 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.538 -16.921 30.432 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.659 -16.356 32.115 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.241 -18.052 31.773 1.00 0.00 H new ATOM 1407 N VAL B 37 90.307 -15.717 35.200 1.00 0.00 N ATOM 1408 CA VAL B 37 89.646 -15.902 36.521 1.00 0.00 C ATOM 1409 C VAL B 37 88.177 -15.502 36.375 1.00 0.00 C ATOM 1410 O VAL B 37 87.288 -16.133 36.912 1.00 0.00 O ATOM 1411 CB VAL B 37 90.332 -15.004 37.558 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.516 -14.992 38.854 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.738 -15.545 37.846 1.00 0.00 C ATOM 0 H VAL B 37 91.018 -14.986 35.171 1.00 0.00 H new ATOM 0 HA VAL B 37 89.720 -16.939 36.848 1.00 0.00 H new ATOM 0 HB VAL B 37 90.401 -13.989 37.167 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.007 -14.353 39.587 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.516 -14.609 38.651 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.443 -16.006 39.247 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.229 -14.909 38.583 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.664 -16.561 38.235 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.321 -15.550 36.925 1.00 0.00 H new ATOM 1423 N ALA B 38 87.926 -14.452 35.643 1.00 0.00 N ATOM 1424 CA ALA B 38 86.525 -13.987 35.439 1.00 0.00 C ATOM 1425 C ALA B 38 85.701 -15.079 34.744 1.00 0.00 C ATOM 1426 O ALA B 38 84.487 -15.053 34.763 1.00 0.00 O ATOM 1427 CB ALA B 38 86.534 -12.719 34.575 1.00 0.00 C ATOM 0 H ALA B 38 88.637 -13.892 35.174 1.00 0.00 H new ATOM 0 HA ALA B 38 86.074 -13.770 36.407 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.511 -12.375 34.423 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.108 -11.940 35.078 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.990 -12.940 33.610 1.00 0.00 H new ATOM 1433 N SER B 39 86.347 -16.030 34.115 1.00 0.00 N ATOM 1434 CA SER B 39 85.585 -17.107 33.407 1.00 0.00 C ATOM 1435 C SER B 39 85.434 -18.324 34.319 1.00 0.00 C ATOM 1436 O SER B 39 84.389 -18.943 34.369 1.00 0.00 O ATOM 1437 CB SER B 39 86.344 -17.522 32.145 1.00 0.00 C ATOM 1438 OG SER B 39 86.290 -16.466 31.196 1.00 0.00 O ATOM 0 H SER B 39 87.363 -16.108 34.061 1.00 0.00 H new ATOM 0 HA SER B 39 84.598 -16.728 33.141 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.381 -17.754 32.390 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.906 -18.427 31.724 1.00 0.00 H new ATOM 0 HG SER B 39 87.197 -16.144 31.013 1.00 0.00 H new ATOM 1444 N CYS B 40 86.454 -18.669 35.050 1.00 0.00 N ATOM 1445 CA CYS B 40 86.339 -19.842 35.959 1.00 0.00 C ATOM 1446 C CYS B 40 85.169 -19.602 36.918 1.00 0.00 C ATOM 1447 O CYS B 40 85.056 -18.553 37.516 1.00 0.00 O ATOM 1448 CB CYS B 40 87.643 -20.018 36.742 1.00 0.00 C ATOM 1449 SG CYS B 40 87.817 -21.747 37.243 1.00 0.00 S ATOM 0 H CYS B 40 87.357 -18.194 35.059 1.00 0.00 H new ATOM 0 HA CYS B 40 86.158 -20.750 35.383 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.492 -19.719 36.127 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.642 -19.372 37.620 1.00 0.00 H new ATOM 1454 N ASP B 41 84.292 -20.555 37.055 1.00 0.00 N ATOM 1455 CA ASP B 41 83.121 -20.369 37.960 1.00 0.00 C ATOM 1456 C ASP B 41 83.546 -20.518 39.423 1.00 0.00 C ATOM 1457 O ASP B 41 82.991 -19.891 40.304 1.00 0.00 O ATOM 1458 CB ASP B 41 82.058 -21.418 37.633 1.00 0.00 C ATOM 1459 CG ASP B 41 81.434 -21.104 36.271 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.493 -19.954 35.866 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.911 -22.019 35.656 1.00 0.00 O ATOM 0 H ASP B 41 84.334 -21.457 36.580 1.00 0.00 H new ATOM 0 HA ASP B 41 82.716 -19.368 37.811 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.505 -22.412 37.620 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.288 -21.424 38.405 1.00 0.00 H new ATOM 1466 N LYS B 42 84.508 -21.353 39.695 1.00 0.00 N ATOM 1467 CA LYS B 42 84.938 -21.551 41.109 1.00 0.00 C ATOM 1468 C LYS B 42 85.665 -20.301 41.627 1.00 0.00 C ATOM 1469 O LYS B 42 85.481 -19.896 42.758 1.00 0.00 O ATOM 1470 CB LYS B 42 85.886 -22.750 41.178 1.00 0.00 C ATOM 1471 CG LYS B 42 85.107 -24.036 40.888 1.00 0.00 C ATOM 1472 CD LYS B 42 86.057 -25.236 40.958 1.00 0.00 C ATOM 1473 CE LYS B 42 85.284 -26.525 40.669 1.00 0.00 C ATOM 1474 NZ LYS B 42 84.195 -26.693 41.673 1.00 0.00 N ATOM 0 H LYS B 42 85.015 -21.906 39.003 1.00 0.00 H new ATOM 0 HA LYS B 42 84.058 -21.729 41.728 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.693 -22.631 40.455 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.347 -22.806 42.164 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.300 -24.155 41.610 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.647 -23.980 39.902 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.864 -25.115 40.236 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.517 -25.290 41.945 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.863 -26.491 39.664 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.959 -27.381 40.703 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 83.898 -27.689 41.699 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.542 -26.410 42.612 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 83.385 -26.097 41.409 1.00 0.00 H new ATOM 1488 N CYS B 43 86.487 -19.687 40.817 1.00 0.00 N ATOM 1489 CA CYS B 43 87.222 -18.468 41.278 1.00 0.00 C ATOM 1490 C CYS B 43 86.360 -17.221 41.070 1.00 0.00 C ATOM 1491 O CYS B 43 86.736 -16.129 41.449 1.00 0.00 O ATOM 1492 CB CYS B 43 88.531 -18.323 40.500 1.00 0.00 C ATOM 1493 SG CYS B 43 89.519 -19.828 40.696 1.00 0.00 S ATOM 0 H CYS B 43 86.682 -19.975 39.858 1.00 0.00 H new ATOM 0 HA CYS B 43 87.444 -18.574 42.340 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.322 -18.147 39.445 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.088 -17.459 40.863 1.00 0.00 H new ATOM 1498 N GLN B 44 85.213 -17.363 40.465 1.00 0.00 N ATOM 1499 CA GLN B 44 84.347 -16.171 40.231 1.00 0.00 C ATOM 1500 C GLN B 44 83.787 -15.677 41.565 1.00 0.00 C ATOM 1501 O GLN B 44 83.986 -14.542 41.951 1.00 0.00 O ATOM 1502 CB GLN B 44 83.190 -16.559 39.301 1.00 0.00 C ATOM 1503 CG GLN B 44 82.327 -15.333 38.982 1.00 0.00 C ATOM 1504 CD GLN B 44 83.151 -14.314 38.195 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.967 -14.678 37.372 1.00 0.00 O ATOM 1506 NE2 GLN B 44 82.960 -13.040 38.407 1.00 0.00 N ATOM 0 H GLN B 44 84.838 -18.248 40.124 1.00 0.00 H new ATOM 0 HA GLN B 44 84.935 -15.377 39.770 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.584 -16.985 38.378 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.579 -17.329 39.772 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.453 -15.632 38.404 1.00 0.00 H new ATOM 0 HG3 GLN B 44 81.961 -14.884 39.905 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.275 -12.735 39.098 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.496 -12.350 37.881 1.00 0.00 H new ATOM 1515 N LEU B 45 83.082 -16.516 42.270 1.00 0.00 N ATOM 1516 CA LEU B 45 82.500 -16.097 43.579 1.00 0.00 C ATOM 1517 C LEU B 45 83.501 -16.371 44.702 1.00 0.00 C ATOM 1518 O LEU B 45 84.171 -17.385 44.718 1.00 0.00 O ATOM 1519 CB LEU B 45 81.225 -16.895 43.850 1.00 0.00 C ATOM 1520 CG LEU B 45 80.200 -16.641 42.740 1.00 0.00 C ATOM 1521 CD1 LEU B 45 78.979 -17.533 42.982 1.00 0.00 C ATOM 1522 CD2 LEU B 45 79.770 -15.162 42.738 1.00 0.00 C ATOM 0 H LEU B 45 82.882 -17.478 41.997 1.00 0.00 H new ATOM 0 HA LEU B 45 82.272 -15.032 43.541 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.457 -17.959 43.905 1.00 0.00 H new ATOM 0 HB3 LEU B 45 80.806 -16.610 44.815 1.00 0.00 H new ATOM 0 HG LEU B 45 80.647 -16.873 41.773 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.242 -17.361 42.198 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.285 -18.579 42.970 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.540 -17.294 43.951 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.042 -14.996 41.944 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.322 -14.912 43.700 1.00 0.00 H new ATOM 0 HD23 LEU B 45 80.642 -14.530 42.569 1.00 0.00 H new ATOM 1534 N LYS B 46 83.592 -15.485 45.653 1.00 0.00 N ATOM 1535 CA LYS B 46 84.530 -15.703 46.786 1.00 0.00 C ATOM 1536 C LYS B 46 83.882 -16.669 47.777 1.00 0.00 C ATOM 1537 O LYS B 46 82.679 -16.847 47.786 1.00 0.00 O ATOM 1538 CB LYS B 46 84.810 -14.372 47.484 1.00 0.00 C ATOM 1539 CG LYS B 46 85.570 -13.445 46.534 1.00 0.00 C ATOM 1540 CD LYS B 46 85.849 -12.115 47.237 1.00 0.00 C ATOM 1541 CE LYS B 46 86.607 -11.186 46.290 1.00 0.00 C ATOM 1542 NZ LYS B 46 85.779 -10.933 45.077 1.00 0.00 N ATOM 0 H LYS B 46 83.056 -14.618 45.694 1.00 0.00 H new ATOM 0 HA LYS B 46 85.468 -16.117 46.417 1.00 0.00 H new ATOM 0 HB2 LYS B 46 83.873 -13.906 47.791 1.00 0.00 H new ATOM 0 HB3 LYS B 46 85.394 -14.540 48.389 1.00 0.00 H new ATOM 0 HG2 LYS B 46 86.507 -13.910 46.226 1.00 0.00 H new ATOM 0 HG3 LYS B 46 84.986 -13.275 45.629 1.00 0.00 H new ATOM 0 HD2 LYS B 46 84.912 -11.651 47.546 1.00 0.00 H new ATOM 0 HD3 LYS B 46 86.433 -12.285 48.141 1.00 0.00 H new ATOM 0 HE2 LYS B 46 86.835 -10.245 46.791 1.00 0.00 H new ATOM 0 HE3 LYS B 46 87.559 -11.635 46.007 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 86.090 -10.051 44.622 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 85.889 -11.724 44.411 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 84.779 -10.847 45.351 1.00 0.00 H new ATOM 1556 N GLY B 47 84.660 -17.295 48.614 1.00 0.00 N ATOM 1557 CA GLY B 47 84.075 -18.247 49.601 1.00 0.00 C ATOM 1558 C GLY B 47 83.050 -17.519 50.476 1.00 0.00 C ATOM 1559 O GLY B 47 82.456 -18.100 51.362 1.00 0.00 O ATOM 0 H GLY B 47 85.674 -17.190 48.658 1.00 0.00 H new ATOM 0 HA2 GLY B 47 83.598 -19.078 49.081 1.00 0.00 H new ATOM 0 HA3 GLY B 47 84.863 -18.671 50.223 1.00 0.00 H new ATOM 1563 N GLU B 48 82.834 -16.250 50.238 1.00 0.00 N ATOM 1564 CA GLU B 48 81.849 -15.489 51.059 1.00 0.00 C ATOM 1565 C GLU B 48 80.465 -15.597 50.415 1.00 0.00 C ATOM 1566 O GLU B 48 79.642 -16.388 50.827 1.00 0.00 O ATOM 1567 CB GLU B 48 82.275 -14.020 51.116 1.00 0.00 C ATOM 1568 CG GLU B 48 81.344 -13.246 52.050 1.00 0.00 C ATOM 1569 CD GLU B 48 81.779 -11.780 52.099 1.00 0.00 C ATOM 1570 OE1 GLU B 48 82.821 -11.473 51.544 1.00 0.00 O ATOM 1571 OE2 GLU B 48 81.066 -10.989 52.696 1.00 0.00 O ATOM 0 H GLU B 48 83.299 -15.709 49.509 1.00 0.00 H new ATOM 0 HA GLU B 48 81.812 -15.898 52.069 1.00 0.00 H new ATOM 0 HB2 GLU B 48 83.304 -13.944 51.468 1.00 0.00 H new ATOM 0 HB3 GLU B 48 82.247 -13.585 50.117 1.00 0.00 H new ATOM 0 HG2 GLU B 48 80.315 -13.320 51.699 1.00 0.00 H new ATOM 0 HG3 GLU B 48 81.372 -13.679 53.050 1.00 0.00 H new ATOM 1578 N ALA B 49 80.204 -14.818 49.402 1.00 0.00 N ATOM 1579 CA ALA B 49 78.875 -14.885 48.728 1.00 0.00 C ATOM 1580 C ALA B 49 77.758 -14.668 49.756 1.00 0.00 C ATOM 1581 O ALA B 49 76.864 -15.479 49.894 1.00 0.00 O ATOM 1582 CB ALA B 49 78.700 -16.253 48.066 1.00 0.00 C ATOM 0 H ALA B 49 80.854 -14.137 49.011 1.00 0.00 H new ATOM 0 HA ALA B 49 78.822 -14.105 47.968 1.00 0.00 H new ATOM 0 HB1 ALA B 49 77.728 -16.298 47.575 1.00 0.00 H new ATOM 0 HB2 ALA B 49 79.487 -16.403 47.327 1.00 0.00 H new ATOM 0 HB3 ALA B 49 78.760 -17.034 48.824 1.00 0.00 H new ATOM 1588 N MET B 50 77.801 -13.576 50.473 1.00 0.00 N ATOM 1589 CA MET B 50 76.744 -13.290 51.493 1.00 0.00 C ATOM 1590 C MET B 50 76.590 -11.776 51.646 1.00 0.00 C ATOM 1591 O MET B 50 77.434 -11.108 52.209 1.00 0.00 O ATOM 1592 CB MET B 50 77.131 -13.897 52.848 1.00 0.00 C ATOM 1593 CG MET B 50 77.049 -15.424 52.788 1.00 0.00 C ATOM 1594 SD MET B 50 77.425 -16.114 54.421 1.00 0.00 S ATOM 1595 CE MET B 50 79.156 -15.593 54.515 1.00 0.00 C ATOM 0 H MET B 50 78.527 -12.864 50.397 1.00 0.00 H new ATOM 0 HA MET B 50 75.804 -13.732 51.163 1.00 0.00 H new ATOM 0 HB2 MET B 50 78.142 -13.590 53.116 1.00 0.00 H new ATOM 0 HB3 MET B 50 76.467 -13.521 53.626 1.00 0.00 H new ATOM 0 HG2 MET B 50 76.053 -15.733 52.471 1.00 0.00 H new ATOM 0 HG3 MET B 50 77.752 -15.808 52.049 1.00 0.00 H new ATOM 0 HE1 MET B 50 79.755 -16.396 54.945 1.00 0.00 H new ATOM 0 HE2 MET B 50 79.522 -15.364 53.514 1.00 0.00 H new ATOM 0 HE3 MET B 50 79.235 -14.705 55.142 1.00 0.00 H new ATOM 1605 N HIS B 51 75.516 -11.230 51.142 1.00 0.00 N ATOM 1606 CA HIS B 51 75.296 -9.759 51.245 1.00 0.00 C ATOM 1607 C HIS B 51 74.698 -9.413 52.611 1.00 0.00 C ATOM 1608 O HIS B 51 74.014 -10.210 53.222 1.00 0.00 O ATOM 1609 CB HIS B 51 74.333 -9.315 50.142 1.00 0.00 C ATOM 1610 CG HIS B 51 74.287 -7.813 50.086 1.00 0.00 C ATOM 1611 ND1 HIS B 51 73.378 -7.074 50.830 1.00 0.00 N ATOM 1612 CD2 HIS B 51 75.029 -6.897 49.380 1.00 0.00 C ATOM 1613 CE1 HIS B 51 73.594 -5.773 50.558 1.00 0.00 C ATOM 1614 NE2 HIS B 51 74.588 -5.614 49.682 1.00 0.00 N ATOM 0 H HIS B 51 74.778 -11.743 50.661 1.00 0.00 H new ATOM 0 HA HIS B 51 76.250 -9.244 51.133 1.00 0.00 H new ATOM 0 HB2 HIS B 51 74.656 -9.715 49.181 1.00 0.00 H new ATOM 0 HB3 HIS B 51 73.336 -9.712 50.334 1.00 0.00 H new ATOM 0 HD2 HIS B 51 75.830 -7.137 48.697 1.00 0.00 H new ATOM 0 HE1 HIS B 51 73.033 -4.960 50.994 1.00 0.00 H new ATOM 0 HE2 HIS B 51 74.949 -4.735 49.312 1.00 0.00 H new ATOM 1623 N GLY B 52 74.948 -8.222 53.094 1.00 0.00 N ATOM 1624 CA GLY B 52 74.395 -7.807 54.419 1.00 0.00 C ATOM 1625 C GLY B 52 75.446 -8.028 55.508 1.00 0.00 C ATOM 1626 O GLY B 52 76.234 -8.951 55.445 1.00 0.00 O ATOM 0 H GLY B 52 75.515 -7.516 52.625 1.00 0.00 H new ATOM 0 HA2 GLY B 52 74.103 -6.757 54.389 1.00 0.00 H new ATOM 0 HA3 GLY B 52 73.497 -8.381 54.645 1.00 0.00 H new ATOM 1630 N GLN B 53 75.460 -7.190 56.508 1.00 0.00 N ATOM 1631 CA GLN B 53 76.457 -7.354 57.604 1.00 0.00 C ATOM 1632 C GLN B 53 75.936 -8.401 58.591 1.00 0.00 C ATOM 1633 O GLN B 53 74.872 -8.256 59.160 1.00 0.00 O ATOM 1634 CB GLN B 53 76.644 -6.012 58.321 1.00 0.00 C ATOM 1635 CG GLN B 53 77.666 -6.157 59.454 1.00 0.00 C ATOM 1636 CD GLN B 53 77.844 -4.807 60.152 1.00 0.00 C ATOM 1637 OE1 GLN B 53 77.364 -3.796 59.677 1.00 0.00 O ATOM 1638 NE2 GLN B 53 78.523 -4.745 61.265 1.00 0.00 N ATOM 0 H GLN B 53 74.825 -6.399 56.614 1.00 0.00 H new ATOM 0 HA GLN B 53 77.414 -7.679 57.197 1.00 0.00 H new ATOM 0 HB2 GLN B 53 76.981 -5.256 57.612 1.00 0.00 H new ATOM 0 HB3 GLN B 53 75.690 -5.670 58.723 1.00 0.00 H new ATOM 0 HG2 GLN B 53 77.329 -6.907 60.169 1.00 0.00 H new ATOM 0 HG3 GLN B 53 78.620 -6.502 59.056 1.00 0.00 H new ATOM 0 HE21 GLN B 53 78.926 -5.593 61.664 1.00 0.00 H new ATOM 0 HE22 GLN B 53 78.650 -3.849 61.735 1.00 0.00 H new ATOM 1647 N VAL B 54 76.677 -9.456 58.802 1.00 0.00 N ATOM 1648 CA VAL B 54 76.224 -10.514 59.754 1.00 0.00 C ATOM 1649 C VAL B 54 76.834 -10.248 61.131 1.00 0.00 C ATOM 1650 O VAL B 54 76.575 -10.957 62.083 1.00 0.00 O ATOM 1651 CB VAL B 54 76.675 -11.886 59.247 1.00 0.00 C ATOM 1652 CG1 VAL B 54 75.884 -12.250 57.989 1.00 0.00 C ATOM 1653 CG2 VAL B 54 78.168 -11.846 58.912 1.00 0.00 C ATOM 0 H VAL B 54 77.577 -9.632 58.356 1.00 0.00 H new ATOM 0 HA VAL B 54 75.137 -10.499 59.828 1.00 0.00 H new ATOM 0 HB VAL B 54 76.496 -12.632 60.021 1.00 0.00 H new ATOM 0 HG11 VAL B 54 76.205 -13.227 57.627 1.00 0.00 H new ATOM 0 HG12 VAL B 54 74.820 -12.282 58.225 1.00 0.00 H new ATOM 0 HG13 VAL B 54 76.063 -11.501 57.217 1.00 0.00 H new ATOM 0 HG21 VAL B 54 78.486 -12.824 58.551 1.00 0.00 H new ATOM 0 HG22 VAL B 54 78.348 -11.098 58.139 1.00 0.00 H new ATOM 0 HG23 VAL B 54 78.735 -11.587 59.806 1.00 0.00 H new ATOM 1663 N ASP B 55 77.642 -9.226 61.245 1.00 0.00 N ATOM 1664 CA ASP B 55 78.268 -8.905 62.563 1.00 0.00 C ATOM 1665 C ASP B 55 77.372 -7.927 63.324 1.00 0.00 C ATOM 1666 O ASP B 55 76.543 -8.388 64.092 1.00 0.00 O ATOM 1667 CB ASP B 55 79.639 -8.267 62.333 1.00 0.00 C ATOM 1668 CG ASP B 55 80.326 -8.036 63.680 1.00 0.00 C ATOM 1669 OD1 ASP B 55 79.630 -8.004 64.680 1.00 0.00 O ATOM 1670 OD2 ASP B 55 81.539 -7.900 63.688 1.00 0.00 O ATOM 1671 OXT ASP B 55 77.529 -6.733 63.128 1.00 0.00 O ATOM 0 H ASP B 55 77.896 -8.599 60.482 1.00 0.00 H new ATOM 0 HA ASP B 55 78.386 -9.820 63.144 1.00 0.00 H new ATOM 0 HB2 ASP B 55 80.253 -8.914 61.706 1.00 0.00 H new ATOM 0 HB3 ASP B 55 79.528 -7.321 61.803 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.776 -1.803 35.862 1.00 0.00 CD HETATM 1678 CD CD B 56 89.910 -21.507 38.717 1.00 0.00 CD