USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 662 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= -1.2 X(o=-4.9,f=-5.1!) USER MOD Set 1.2: B 44 GLN : amide:sc= -3.7! X(o=-4.9!,f=-5.1) USER MOD Set 2.1: B 12 HIS : no HD1:sc= -3.59! C(o=-2.9!,f=-5.3!) USER MOD Set 2.2: B 16 HIS : no HD1:sc= 0.0128 K(o=-2.9,f=-4.8) USER MOD Set 2.3: B 22 MET CE :methyl -162:sc= -0.196 (180deg=-1.35) USER MOD Set 2.4: B 40 CYS SG : rot -144:sc= 0.977 USER MOD Set 2.5: B 43 CYS SG : rot -179:sc= -0.11 USER MOD Set 3.1: A 12 HIS : no HD1:sc= -3.48! C(o=-2.8!,f=-5.3!) USER MOD Set 3.2: A 16 HIS : no HD1:sc= 0.0139 K(o=-2.8,f=-4.7) USER MOD Set 3.3: A 22 MET CE :methyl -162:sc= -0.184 (180deg=-1.19) USER MOD Set 3.4: A 40 CYS SG : rot -147:sc= 0.994 USER MOD Set 3.5: A 43 CYS SG : rot 180:sc= -0.181 USER MOD Single : A 1 PHE N :NH3+ 160:sc= 0.625 (180deg=0.336) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.122 USER MOD Single : A 17 SER OG : rot 180:sc= -0.82 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 24 SER OG : rot 80:sc= 0.344 USER MOD Single : A 27 ASN : amide:sc= -0.144 K(o=-0.14,f=-2.3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 75:sc= 0.137 USER MOD Single : A 42 LYS NZ :NH3+ -158:sc= -0.129 (180deg=-0.716) USER MOD Single : B 1 PHE N :NH3+ 161:sc= 0.62 (180deg=0.249) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 30:sc= -0.154 USER MOD Single : B 17 SER OG : rot 180:sc= -0.703 USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : B 24 SER OG : rot 80:sc= 0.325 USER MOD Single : B 27 ASN : amide:sc= -0.157 K(o=-0.16,f=-2.3!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 72:sc= 0.136 USER MOD Single : B 42 LYS NZ :NH3+ -161:sc= -0.035 (180deg=-0.439) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.930 -3.946 24.003 1.00 0.00 N ATOM 2 CA PHE A 1 94.958 -4.522 24.979 1.00 0.00 C ATOM 3 C PHE A 1 94.359 -3.398 25.829 1.00 0.00 C ATOM 4 O PHE A 1 93.167 -3.176 25.839 1.00 0.00 O ATOM 5 CB PHE A 1 95.682 -5.510 25.907 1.00 0.00 C ATOM 6 CG PHE A 1 96.003 -6.791 25.172 1.00 0.00 C ATOM 7 CD1 PHE A 1 97.102 -6.839 24.309 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.215 -7.935 25.365 1.00 0.00 C ATOM 9 CE1 PHE A 1 97.415 -8.027 23.637 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.528 -9.120 24.691 1.00 0.00 C ATOM 11 CZ PHE A 1 96.628 -9.166 23.827 1.00 0.00 C ATOM 0 H1 PHE A 1 96.573 -4.693 23.671 1.00 0.00 H new ATOM 0 H2 PHE A 1 95.414 -3.548 23.193 1.00 0.00 H new ATOM 0 H3 PHE A 1 96.482 -3.195 24.465 1.00 0.00 H new ATOM 0 HA PHE A 1 94.168 -5.037 24.433 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.601 -5.059 26.282 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.058 -5.728 26.773 1.00 0.00 H new ATOM 0 HD1 PHE A 1 97.710 -5.959 24.161 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.367 -7.901 26.033 1.00 0.00 H new ATOM 0 HE1 PHE A 1 98.265 -8.063 22.972 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.920 -10.001 24.838 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.869 -10.082 23.307 1.00 0.00 H new ATOM 23 N LEU A 2 95.186 -2.713 26.566 1.00 0.00 N ATOM 24 CA LEU A 2 94.694 -1.626 27.460 1.00 0.00 C ATOM 25 C LEU A 2 94.277 -0.376 26.665 1.00 0.00 C ATOM 26 O LEU A 2 93.519 0.439 27.149 1.00 0.00 O ATOM 27 CB LEU A 2 95.812 -1.252 28.441 1.00 0.00 C ATOM 28 CG LEU A 2 96.374 -2.518 29.108 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.363 -2.117 30.206 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.235 -3.341 29.727 1.00 0.00 C ATOM 0 H LEU A 2 96.195 -2.861 26.588 1.00 0.00 H new ATOM 0 HA LEU A 2 93.815 -1.991 27.992 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.608 -0.725 27.914 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.428 -0.571 29.201 1.00 0.00 H new ATOM 0 HG LEU A 2 96.881 -3.121 28.355 1.00 0.00 H new ATOM 0 HD11 LEU A 2 97.763 -3.013 30.680 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.180 -1.543 29.768 1.00 0.00 H new ATOM 0 HD13 LEU A 2 96.851 -1.509 30.952 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.646 -4.235 30.196 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.719 -2.742 30.477 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.531 -3.631 28.947 1.00 0.00 H new ATOM 42 N ASP A 3 94.773 -0.193 25.471 1.00 0.00 N ATOM 43 CA ASP A 3 94.399 1.036 24.703 1.00 0.00 C ATOM 44 C ASP A 3 92.894 1.066 24.396 1.00 0.00 C ATOM 45 O ASP A 3 92.189 1.984 24.781 1.00 0.00 O ATOM 46 CB ASP A 3 95.183 1.075 23.391 1.00 0.00 C ATOM 47 CG ASP A 3 96.669 1.289 23.691 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.989 1.550 24.838 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.461 1.194 22.767 1.00 0.00 O ATOM 0 H ASP A 3 95.413 -0.830 24.997 1.00 0.00 H new ATOM 0 HA ASP A 3 94.642 1.906 25.314 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.042 0.143 22.843 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.810 1.878 22.756 1.00 0.00 H new ATOM 54 N GLY A 4 92.392 0.086 23.704 1.00 0.00 N ATOM 55 CA GLY A 4 90.937 0.084 23.372 1.00 0.00 C ATOM 56 C GLY A 4 90.108 -0.050 24.649 1.00 0.00 C ATOM 57 O GLY A 4 89.086 0.593 24.808 1.00 0.00 O ATOM 0 H GLY A 4 92.921 -0.713 23.353 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.673 1.005 22.853 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.712 -0.740 22.695 1.00 0.00 H new ATOM 61 N ILE A 5 90.528 -0.889 25.553 1.00 0.00 N ATOM 62 CA ILE A 5 89.752 -1.073 26.811 1.00 0.00 C ATOM 63 C ILE A 5 89.642 0.245 27.568 1.00 0.00 C ATOM 64 O ILE A 5 88.604 0.567 28.113 1.00 0.00 O ATOM 65 CB ILE A 5 90.465 -2.095 27.688 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.483 -3.433 26.961 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.727 -2.244 29.018 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.413 -4.403 27.690 1.00 0.00 C ATOM 0 H ILE A 5 91.373 -1.455 25.476 1.00 0.00 H new ATOM 0 HA ILE A 5 88.749 -1.421 26.562 1.00 0.00 H new ATOM 0 HB ILE A 5 91.484 -1.763 27.886 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.475 -3.846 26.914 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.819 -3.295 25.933 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.242 -2.976 29.640 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.705 -1.283 29.532 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.707 -2.579 28.832 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.423 -5.359 27.167 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.422 -3.991 27.714 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.058 -4.551 28.710 1.00 0.00 H new ATOM 80 N ASP A 6 90.690 1.018 27.613 1.00 0.00 N ATOM 81 CA ASP A 6 90.604 2.309 28.349 1.00 0.00 C ATOM 82 C ASP A 6 89.453 3.124 27.768 1.00 0.00 C ATOM 83 O ASP A 6 88.647 3.675 28.492 1.00 0.00 O ATOM 84 CB ASP A 6 91.922 3.078 28.201 1.00 0.00 C ATOM 85 CG ASP A 6 91.878 4.344 29.062 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.788 4.840 29.299 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.937 4.801 29.461 1.00 0.00 O ATOM 0 H ASP A 6 91.591 0.816 27.179 1.00 0.00 H new ATOM 0 HA ASP A 6 90.426 2.125 29.409 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.758 2.448 28.505 1.00 0.00 H new ATOM 0 HB3 ASP A 6 92.085 3.342 27.156 1.00 0.00 H new ATOM 92 N LYS A 7 89.345 3.186 26.468 1.00 0.00 N ATOM 93 CA LYS A 7 88.212 3.946 25.869 1.00 0.00 C ATOM 94 C LYS A 7 86.910 3.185 26.130 1.00 0.00 C ATOM 95 O LYS A 7 85.901 3.759 26.492 1.00 0.00 O ATOM 96 CB LYS A 7 88.434 4.099 24.358 1.00 0.00 C ATOM 97 CG LYS A 7 87.358 5.017 23.774 1.00 0.00 C ATOM 98 CD LYS A 7 87.577 5.172 22.267 1.00 0.00 C ATOM 99 CE LYS A 7 86.464 6.040 21.671 1.00 0.00 C ATOM 100 NZ LYS A 7 86.611 6.083 20.187 1.00 0.00 N ATOM 0 H LYS A 7 89.983 2.749 25.803 1.00 0.00 H new ATOM 0 HA LYS A 7 88.153 4.937 26.319 1.00 0.00 H new ATOM 0 HB2 LYS A 7 89.424 4.513 24.165 1.00 0.00 H new ATOM 0 HB3 LYS A 7 88.397 3.123 23.874 1.00 0.00 H new ATOM 0 HG2 LYS A 7 86.368 4.603 23.967 1.00 0.00 H new ATOM 0 HG3 LYS A 7 87.395 5.992 24.259 1.00 0.00 H new ATOM 0 HD2 LYS A 7 88.549 5.627 22.076 1.00 0.00 H new ATOM 0 HD3 LYS A 7 87.584 4.193 21.788 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.488 5.635 21.939 1.00 0.00 H new ATOM 0 HE3 LYS A 7 86.514 7.048 22.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 85.856 6.672 19.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 87.537 6.488 19.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.543 5.119 19.803 1.00 0.00 H new ATOM 114 N ALA A 8 86.924 1.893 25.961 1.00 0.00 N ATOM 115 CA ALA A 8 85.691 1.102 26.209 1.00 0.00 C ATOM 116 C ALA A 8 85.332 1.166 27.692 1.00 0.00 C ATOM 117 O ALA A 8 84.173 1.169 28.056 1.00 0.00 O ATOM 118 CB ALA A 8 85.912 -0.355 25.780 1.00 0.00 C ATOM 0 H ALA A 8 87.736 1.352 25.662 1.00 0.00 H new ATOM 0 HA ALA A 8 84.870 1.519 25.626 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.005 -0.930 25.964 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.154 -0.389 24.718 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.735 -0.782 26.353 1.00 0.00 H new ATOM 124 N GLN A 9 86.312 1.201 28.554 1.00 0.00 N ATOM 125 CA GLN A 9 86.006 1.246 30.010 1.00 0.00 C ATOM 126 C GLN A 9 85.158 2.479 30.312 1.00 0.00 C ATOM 127 O GLN A 9 84.220 2.422 31.084 1.00 0.00 O ATOM 128 CB GLN A 9 87.308 1.321 30.809 1.00 0.00 C ATOM 129 CG GLN A 9 87.007 1.072 32.290 1.00 0.00 C ATOM 130 CD GLN A 9 88.281 1.269 33.113 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.272 1.763 32.612 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.297 0.906 34.367 1.00 0.00 N ATOM 0 H GLN A 9 87.303 1.200 28.314 1.00 0.00 H new ATOM 0 HA GLN A 9 85.460 0.346 30.291 1.00 0.00 H new ATOM 0 HB2 GLN A 9 88.018 0.580 30.441 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.772 2.299 30.680 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.231 1.756 32.634 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.625 0.061 32.429 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.466 0.491 34.789 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.141 1.037 34.925 1.00 0.00 H new ATOM 141 N GLU A 10 85.458 3.589 29.693 1.00 0.00 N ATOM 142 CA GLU A 10 84.641 4.807 29.949 1.00 0.00 C ATOM 143 C GLU A 10 83.198 4.525 29.545 1.00 0.00 C ATOM 144 O GLU A 10 82.266 4.917 30.221 1.00 0.00 O ATOM 145 CB GLU A 10 85.176 5.983 29.127 1.00 0.00 C ATOM 146 CG GLU A 10 84.425 7.257 29.528 1.00 0.00 C ATOM 147 CD GLU A 10 84.944 8.440 28.707 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.971 8.285 28.064 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.304 9.477 28.733 1.00 0.00 O ATOM 0 H GLU A 10 86.224 3.704 29.029 1.00 0.00 H new ATOM 0 HA GLU A 10 84.693 5.063 31.007 1.00 0.00 H new ATOM 0 HB2 GLU A 10 86.245 6.107 29.299 1.00 0.00 H new ATOM 0 HB3 GLU A 10 85.045 5.788 28.063 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.355 7.128 29.362 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.562 7.452 30.592 1.00 0.00 H new ATOM 156 N GLU A 11 83.004 3.839 28.452 1.00 0.00 N ATOM 157 CA GLU A 11 81.619 3.523 28.015 1.00 0.00 C ATOM 158 C GLU A 11 80.938 2.706 29.109 1.00 0.00 C ATOM 159 O GLU A 11 79.777 2.906 29.420 1.00 0.00 O ATOM 160 CB GLU A 11 81.670 2.722 26.710 1.00 0.00 C ATOM 161 CG GLU A 11 80.290 2.729 26.049 1.00 0.00 C ATOM 162 CD GLU A 11 80.039 4.097 25.409 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.878 4.967 25.572 1.00 0.00 O ATOM 164 OE2 GLU A 11 79.013 4.249 24.769 1.00 0.00 O ATOM 0 H GLU A 11 83.744 3.485 27.846 1.00 0.00 H new ATOM 0 HA GLU A 11 81.056 4.440 27.842 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.410 3.153 26.035 1.00 0.00 H new ATOM 0 HB3 GLU A 11 81.982 1.697 26.912 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.233 1.946 25.293 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.519 2.515 26.789 1.00 0.00 H new ATOM 171 N HIS A 12 81.648 1.790 29.709 1.00 0.00 N ATOM 172 CA HIS A 12 81.029 0.980 30.791 1.00 0.00 C ATOM 173 C HIS A 12 80.574 1.896 31.926 1.00 0.00 C ATOM 174 O HIS A 12 79.492 1.760 32.451 1.00 0.00 O ATOM 175 CB HIS A 12 82.036 -0.026 31.342 1.00 0.00 C ATOM 176 CG HIS A 12 81.323 -0.860 32.354 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.928 -2.180 32.105 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.828 -0.543 33.591 1.00 0.00 C ATOM 179 CE1 HIS A 12 80.215 -2.597 33.174 1.00 0.00 C ATOM 180 NE2 HIS A 12 80.141 -1.632 34.075 1.00 0.00 N ATOM 0 H HIS A 12 82.621 1.570 29.498 1.00 0.00 H new ATOM 0 HA HIS A 12 80.173 0.446 30.378 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.433 -0.650 30.541 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.883 0.488 31.796 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.955 0.401 34.100 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.770 -3.576 33.278 1.00 0.00 H new ATOM 0 HE2 HIS A 12 79.659 -1.686 34.972 1.00 0.00 H new ATOM 188 N GLU A 13 81.406 2.814 32.322 1.00 0.00 N ATOM 189 CA GLU A 13 81.036 3.732 33.438 1.00 0.00 C ATOM 190 C GLU A 13 79.792 4.547 33.067 1.00 0.00 C ATOM 191 O GLU A 13 78.910 4.765 33.874 1.00 0.00 O ATOM 192 CB GLU A 13 82.207 4.688 33.706 1.00 0.00 C ATOM 193 CG GLU A 13 81.907 5.554 34.935 1.00 0.00 C ATOM 194 CD GLU A 13 83.043 6.559 35.144 1.00 0.00 C ATOM 195 OE1 GLU A 13 84.151 6.122 35.405 1.00 0.00 O ATOM 196 OE2 GLU A 13 82.785 7.748 35.035 1.00 0.00 O ATOM 0 H GLU A 13 82.331 2.971 31.921 1.00 0.00 H new ATOM 0 HA GLU A 13 80.818 3.143 34.329 1.00 0.00 H new ATOM 0 HB2 GLU A 13 83.122 4.119 33.867 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.375 5.323 32.836 1.00 0.00 H new ATOM 0 HG2 GLU A 13 80.962 6.081 34.800 1.00 0.00 H new ATOM 0 HG3 GLU A 13 81.797 4.925 35.818 1.00 0.00 H new ATOM 203 N LYS A 14 79.737 5.024 31.857 1.00 0.00 N ATOM 204 CA LYS A 14 78.583 5.857 31.422 1.00 0.00 C ATOM 205 C LYS A 14 77.251 5.095 31.474 1.00 0.00 C ATOM 206 O LYS A 14 76.208 5.702 31.633 1.00 0.00 O ATOM 207 CB LYS A 14 78.827 6.341 29.994 1.00 0.00 C ATOM 208 CG LYS A 14 80.025 7.296 29.974 1.00 0.00 C ATOM 209 CD LYS A 14 80.368 7.676 28.530 1.00 0.00 C ATOM 210 CE LYS A 14 79.356 8.692 27.987 1.00 0.00 C ATOM 211 NZ LYS A 14 79.873 9.262 26.710 1.00 0.00 N ATOM 0 H LYS A 14 80.449 4.871 31.143 1.00 0.00 H new ATOM 0 HA LYS A 14 78.506 6.696 32.113 1.00 0.00 H new ATOM 0 HB2 LYS A 14 79.015 5.491 29.338 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.939 6.847 29.614 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.796 8.193 30.550 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.885 6.824 30.449 1.00 0.00 H new ATOM 0 HD2 LYS A 14 81.373 8.096 28.487 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.369 6.784 27.903 1.00 0.00 H new ATOM 0 HE2 LYS A 14 78.392 8.211 27.821 1.00 0.00 H new ATOM 0 HE3 LYS A 14 79.194 9.487 28.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 79.191 9.952 26.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 80.783 9.734 26.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 80.006 8.498 26.018 1.00 0.00 H new ATOM 225 N TYR A 15 77.247 3.794 31.282 1.00 0.00 N ATOM 226 CA TYR A 15 75.935 3.051 31.265 1.00 0.00 C ATOM 227 C TYR A 15 76.020 1.690 31.980 1.00 0.00 C ATOM 228 O TYR A 15 75.025 1.002 32.110 1.00 0.00 O ATOM 229 CB TYR A 15 75.553 2.801 29.803 1.00 0.00 C ATOM 230 CG TYR A 15 75.758 4.060 28.996 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.734 5.011 28.913 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.969 4.274 28.314 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.915 6.174 28.155 1.00 0.00 C ATOM 234 CE2 TYR A 15 77.146 5.436 27.556 1.00 0.00 C ATOM 235 CZ TYR A 15 76.122 6.386 27.476 1.00 0.00 C ATOM 236 OH TYR A 15 76.301 7.530 26.727 1.00 0.00 O ATOM 0 H TYR A 15 78.078 3.220 31.138 1.00 0.00 H new ATOM 0 HA TYR A 15 75.196 3.657 31.789 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.159 1.993 29.393 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.512 2.483 29.739 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.803 4.847 29.435 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.761 3.542 28.375 1.00 0.00 H new ATOM 0 HE1 TYR A 15 74.125 6.907 28.094 1.00 0.00 H new ATOM 0 HE2 TYR A 15 78.075 5.600 27.031 1.00 0.00 H new ATOM 0 HH TYR A 15 75.777 8.261 27.116 1.00 0.00 H new ATOM 246 N HIS A 16 77.181 1.263 32.382 1.00 0.00 N ATOM 247 CA HIS A 16 77.299 -0.081 33.022 1.00 0.00 C ATOM 248 C HIS A 16 76.690 -1.105 32.059 1.00 0.00 C ATOM 249 O HIS A 16 75.994 -2.015 32.460 1.00 0.00 O ATOM 250 CB HIS A 16 76.545 -0.139 34.363 1.00 0.00 C ATOM 251 CG HIS A 16 77.283 0.607 35.450 1.00 0.00 C ATOM 252 ND1 HIS A 16 78.354 0.072 36.152 1.00 0.00 N ATOM 253 CD2 HIS A 16 77.074 1.840 36.031 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.750 0.929 37.097 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.999 2.035 37.069 1.00 0.00 N ATOM 0 H HIS A 16 78.055 1.783 32.297 1.00 0.00 H new ATOM 0 HA HIS A 16 78.349 -0.292 33.224 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.550 0.288 34.240 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.411 -1.179 34.661 1.00 0.00 H new ATOM 0 HD2 HIS A 16 76.315 2.548 35.733 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.562 0.753 37.787 1.00 0.00 H new ATOM 0 HE2 HIS A 16 78.081 2.851 37.676 1.00 0.00 H new ATOM 263 N SER A 17 76.933 -0.942 30.784 1.00 0.00 N ATOM 264 CA SER A 17 76.350 -1.876 29.784 1.00 0.00 C ATOM 265 C SER A 17 76.921 -3.287 29.965 1.00 0.00 C ATOM 266 O SER A 17 77.986 -3.475 30.521 1.00 0.00 O ATOM 267 CB SER A 17 76.673 -1.375 28.377 1.00 0.00 C ATOM 268 OG SER A 17 78.067 -1.491 28.148 1.00 0.00 O ATOM 0 H SER A 17 77.513 -0.199 30.394 1.00 0.00 H new ATOM 0 HA SER A 17 75.270 -1.915 29.928 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.122 -1.954 27.637 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.360 -0.337 28.267 1.00 0.00 H new ATOM 0 HG SER A 17 78.278 -1.172 27.246 1.00 0.00 H new ATOM 274 N ASN A 18 76.212 -4.278 29.490 1.00 0.00 N ATOM 275 CA ASN A 18 76.697 -5.681 29.620 1.00 0.00 C ATOM 276 C ASN A 18 77.875 -5.902 28.675 1.00 0.00 C ATOM 277 O ASN A 18 78.068 -5.167 27.730 1.00 0.00 O ATOM 278 CB ASN A 18 75.562 -6.641 29.263 1.00 0.00 C ATOM 279 CG ASN A 18 74.437 -6.480 30.288 1.00 0.00 C ATOM 280 OD1 ASN A 18 74.687 -6.405 31.475 1.00 0.00 O ATOM 281 ND2 ASN A 18 73.199 -6.418 29.880 1.00 0.00 N ATOM 0 H ASN A 18 75.315 -4.174 29.016 1.00 0.00 H new ATOM 0 HA ASN A 18 77.020 -5.865 30.645 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.191 -6.430 28.260 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.925 -7.669 29.259 1.00 0.00 H new ATOM 0 HD21 ASN A 18 72.444 -6.307 30.557 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.986 -6.481 28.884 1.00 0.00 H new ATOM 288 N TRP A 19 78.669 -6.907 28.925 1.00 0.00 N ATOM 289 CA TRP A 19 79.835 -7.158 28.037 1.00 0.00 C ATOM 290 C TRP A 19 79.360 -7.386 26.601 1.00 0.00 C ATOM 291 O TRP A 19 80.056 -7.073 25.653 1.00 0.00 O ATOM 292 CB TRP A 19 80.625 -8.373 28.535 1.00 0.00 C ATOM 293 CG TRP A 19 79.840 -9.629 28.329 1.00 0.00 C ATOM 294 CD1 TRP A 19 79.067 -10.225 29.262 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.750 -10.458 27.136 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.510 -11.371 28.718 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.902 -11.555 27.406 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.320 -10.361 25.857 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.629 -12.523 26.441 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.047 -11.332 24.884 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.204 -12.411 25.175 1.00 0.00 C ATOM 0 H TRP A 19 78.561 -7.560 29.701 1.00 0.00 H new ATOM 0 HA TRP A 19 80.488 -6.286 28.056 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.574 -8.439 28.004 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.859 -8.253 29.593 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.909 -9.867 30.268 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.887 -12.001 29.224 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.973 -9.533 25.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 77.978 -13.353 26.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.490 -11.247 23.903 1.00 0.00 H new ATOM 0 HH2 TRP A 19 78.999 -13.156 24.420 1.00 0.00 H new ATOM 312 N ARG A 20 78.179 -7.909 26.424 1.00 0.00 N ATOM 313 CA ARG A 20 77.680 -8.136 25.038 1.00 0.00 C ATOM 314 C ARG A 20 77.550 -6.798 24.307 1.00 0.00 C ATOM 315 O ARG A 20 77.865 -6.688 23.140 1.00 0.00 O ATOM 316 CB ARG A 20 76.309 -8.815 25.099 1.00 0.00 C ATOM 317 CG ARG A 20 76.442 -10.172 25.792 1.00 0.00 C ATOM 318 CD ARG A 20 75.070 -10.850 25.852 1.00 0.00 C ATOM 319 NE ARG A 20 74.573 -11.084 24.469 1.00 0.00 N ATOM 320 CZ ARG A 20 73.555 -11.874 24.267 1.00 0.00 C ATOM 321 NH1 ARG A 20 72.961 -12.444 25.280 1.00 0.00 N ATOM 322 NH2 ARG A 20 73.126 -12.091 23.054 1.00 0.00 N ATOM 0 H ARG A 20 77.542 -8.187 27.171 1.00 0.00 H new ATOM 0 HA ARG A 20 78.384 -8.772 24.501 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.603 -8.185 25.641 1.00 0.00 H new ATOM 0 HB3 ARG A 20 75.911 -8.946 24.093 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.148 -10.802 25.250 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.839 -10.041 26.798 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.143 -11.796 26.389 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.367 -10.225 26.402 1.00 0.00 H new ATOM 0 HE ARG A 20 75.028 -10.627 23.679 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.293 -12.271 26.229 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.165 -13.062 25.123 1.00 0.00 H new ATOM 0 HH21 ARG A 20 73.587 -11.643 22.262 1.00 0.00 H new ATOM 0 HH22 ARG A 20 72.330 -12.709 22.898 1.00 0.00 H new ATOM 336 N ALA A 21 77.090 -5.780 24.980 1.00 0.00 N ATOM 337 CA ALA A 21 76.947 -4.457 24.312 1.00 0.00 C ATOM 338 C ALA A 21 78.337 -3.879 24.034 1.00 0.00 C ATOM 339 O ALA A 21 78.633 -3.450 22.936 1.00 0.00 O ATOM 340 CB ALA A 21 76.147 -3.515 25.224 1.00 0.00 C ATOM 0 H ALA A 21 76.808 -5.807 25.960 1.00 0.00 H new ATOM 0 HA ALA A 21 76.416 -4.569 23.367 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.039 -2.544 24.740 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.160 -3.939 25.410 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.673 -3.392 26.171 1.00 0.00 H new ATOM 346 N MET A 22 79.191 -3.865 25.017 1.00 0.00 N ATOM 347 CA MET A 22 80.558 -3.318 24.798 1.00 0.00 C ATOM 348 C MET A 22 81.272 -4.140 23.732 1.00 0.00 C ATOM 349 O MET A 22 81.968 -3.609 22.887 1.00 0.00 O ATOM 350 CB MET A 22 81.351 -3.383 26.097 1.00 0.00 C ATOM 351 CG MET A 22 80.701 -2.465 27.125 1.00 0.00 C ATOM 352 SD MET A 22 81.773 -2.321 28.573 1.00 0.00 S ATOM 353 CE MET A 22 81.529 -3.996 29.210 1.00 0.00 C ATOM 0 H MET A 22 79.003 -4.207 25.959 1.00 0.00 H new ATOM 0 HA MET A 22 80.481 -2.281 24.470 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.377 -4.407 26.471 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.384 -3.081 25.923 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.527 -1.481 26.690 1.00 0.00 H new ATOM 0 HG3 MET A 22 79.729 -2.861 27.418 1.00 0.00 H new ATOM 0 HE1 MET A 22 81.835 -4.036 30.255 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.476 -4.266 29.129 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.129 -4.697 28.630 1.00 0.00 H new ATOM 363 N ALA A 23 81.102 -5.433 23.754 1.00 0.00 N ATOM 364 CA ALA A 23 81.778 -6.275 22.730 1.00 0.00 C ATOM 365 C ALA A 23 81.351 -5.822 21.338 1.00 0.00 C ATOM 366 O ALA A 23 82.167 -5.604 20.465 1.00 0.00 O ATOM 367 CB ALA A 23 81.387 -7.742 22.925 1.00 0.00 C ATOM 0 H ALA A 23 80.530 -5.938 24.430 1.00 0.00 H new ATOM 0 HA ALA A 23 82.858 -6.171 22.836 1.00 0.00 H new ATOM 0 HB1 ALA A 23 81.885 -8.354 22.173 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.691 -8.070 23.919 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.307 -7.847 22.822 1.00 0.00 H new ATOM 373 N SER A 24 80.074 -5.677 21.123 1.00 0.00 N ATOM 374 CA SER A 24 79.588 -5.237 19.789 1.00 0.00 C ATOM 375 C SER A 24 79.947 -3.760 19.562 1.00 0.00 C ATOM 376 O SER A 24 80.226 -3.343 18.452 1.00 0.00 O ATOM 377 CB SER A 24 78.072 -5.421 19.723 1.00 0.00 C ATOM 378 OG SER A 24 77.749 -6.757 20.093 1.00 0.00 O ATOM 0 H SER A 24 79.345 -5.845 21.816 1.00 0.00 H new ATOM 0 HA SER A 24 80.062 -5.836 19.012 1.00 0.00 H new ATOM 0 HB2 SER A 24 77.578 -4.716 20.391 1.00 0.00 H new ATOM 0 HB3 SER A 24 77.711 -5.212 18.716 1.00 0.00 H new ATOM 0 HG SER A 24 77.762 -6.838 21.070 1.00 0.00 H new ATOM 384 N ASP A 25 79.924 -2.965 20.596 1.00 0.00 N ATOM 385 CA ASP A 25 80.241 -1.514 20.434 1.00 0.00 C ATOM 386 C ASP A 25 81.660 -1.324 19.892 1.00 0.00 C ATOM 387 O ASP A 25 81.888 -0.532 18.999 1.00 0.00 O ATOM 388 CB ASP A 25 80.130 -0.824 21.795 1.00 0.00 C ATOM 389 CG ASP A 25 80.207 0.692 21.602 1.00 0.00 C ATOM 390 OD1 ASP A 25 80.566 1.114 20.514 1.00 0.00 O ATOM 391 OD2 ASP A 25 79.899 1.406 22.541 1.00 0.00 O ATOM 0 H ASP A 25 79.699 -3.256 21.548 1.00 0.00 H new ATOM 0 HA ASP A 25 79.535 -1.079 19.726 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.190 -1.093 22.276 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.932 -1.160 22.452 1.00 0.00 H new ATOM 396 N PHE A 26 82.619 -2.042 20.423 1.00 0.00 N ATOM 397 CA PHE A 26 84.035 -1.908 19.937 1.00 0.00 C ATOM 398 C PHE A 26 84.407 -3.128 19.100 1.00 0.00 C ATOM 399 O PHE A 26 85.511 -3.240 18.604 1.00 0.00 O ATOM 400 CB PHE A 26 84.981 -1.804 21.136 1.00 0.00 C ATOM 401 CG PHE A 26 84.718 -0.505 21.855 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.399 0.661 21.468 1.00 0.00 C ATOM 403 CD2 PHE A 26 83.790 -0.458 22.899 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.149 1.869 22.127 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.538 0.752 23.557 1.00 0.00 C ATOM 406 CZ PHE A 26 84.219 1.916 23.171 1.00 0.00 C ATOM 0 H PHE A 26 82.485 -2.718 21.175 1.00 0.00 H new ATOM 0 HA PHE A 26 84.123 -1.009 19.326 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.828 -2.646 21.811 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.018 -1.847 20.803 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.116 0.625 20.661 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.267 -1.355 23.198 1.00 0.00 H new ATOM 0 HE1 PHE A 26 85.674 2.765 21.830 1.00 0.00 H new ATOM 0 HE2 PHE A 26 82.819 0.789 24.362 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.025 2.849 23.680 1.00 0.00 H new ATOM 416 N ASN A 27 83.493 -4.041 18.936 1.00 0.00 N ATOM 417 CA ASN A 27 83.784 -5.256 18.122 1.00 0.00 C ATOM 418 C ASN A 27 84.963 -6.026 18.733 1.00 0.00 C ATOM 419 O ASN A 27 85.895 -6.397 18.044 1.00 0.00 O ATOM 420 CB ASN A 27 84.124 -4.836 16.688 1.00 0.00 C ATOM 421 CG ASN A 27 83.984 -6.039 15.749 1.00 0.00 C ATOM 422 OD1 ASN A 27 83.319 -7.002 16.076 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.591 -6.025 14.595 1.00 0.00 N ATOM 0 H ASN A 27 82.554 -4.000 19.331 1.00 0.00 H new ATOM 0 HA ASN A 27 82.907 -5.904 18.113 1.00 0.00 H new ATOM 0 HB2 ASN A 27 83.460 -4.033 16.367 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.141 -4.445 16.645 1.00 0.00 H new ATOM 0 HD21 ASN A 27 84.508 -6.823 13.965 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.149 -5.216 14.322 1.00 0.00 H new ATOM 430 N LEU A 28 84.927 -6.280 20.019 1.00 0.00 N ATOM 431 CA LEU A 28 86.038 -7.032 20.689 1.00 0.00 C ATOM 432 C LEU A 28 85.496 -8.380 21.173 1.00 0.00 C ATOM 433 O LEU A 28 84.321 -8.503 21.469 1.00 0.00 O ATOM 434 CB LEU A 28 86.521 -6.225 21.906 1.00 0.00 C ATOM 435 CG LEU A 28 86.989 -4.834 21.462 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.192 -3.963 22.705 1.00 0.00 C ATOM 437 CD2 LEU A 28 88.316 -4.939 20.691 1.00 0.00 C ATOM 0 H LEU A 28 84.169 -5.996 20.640 1.00 0.00 H new ATOM 0 HA LEU A 28 86.862 -7.186 19.992 1.00 0.00 H new ATOM 0 HB2 LEU A 28 85.715 -6.131 22.633 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.337 -6.751 22.401 1.00 0.00 H new ATOM 0 HG LEU A 28 86.238 -4.391 20.808 1.00 0.00 H new ATOM 0 HD11 LEU A 28 87.525 -2.970 22.403 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.251 -3.880 23.249 1.00 0.00 H new ATOM 0 HD13 LEU A 28 87.945 -4.418 23.349 1.00 0.00 H new ATOM 0 HD21 LEU A 28 88.637 -3.944 20.382 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.076 -5.382 21.334 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.176 -5.565 19.810 1.00 0.00 H new ATOM 449 N PRO A 29 86.334 -9.390 21.274 1.00 0.00 N ATOM 450 CA PRO A 29 85.892 -10.732 21.753 1.00 0.00 C ATOM 451 C PRO A 29 85.340 -10.650 23.179 1.00 0.00 C ATOM 452 O PRO A 29 85.557 -9.678 23.879 1.00 0.00 O ATOM 453 CB PRO A 29 87.169 -11.596 21.695 1.00 0.00 C ATOM 454 CG PRO A 29 88.294 -10.615 21.694 1.00 0.00 C ATOM 455 CD PRO A 29 87.773 -9.388 20.953 1.00 0.00 C ATOM 0 HA PRO A 29 85.086 -11.147 21.148 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.231 -12.268 22.551 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.186 -12.218 20.800 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.592 -10.361 22.711 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.173 -11.028 21.198 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.261 -8.474 21.293 1.00 0.00 H new ATOM 0 HD3 PRO A 29 87.947 -9.461 19.879 1.00 0.00 H new ATOM 463 N PRO A 30 84.621 -11.650 23.602 1.00 0.00 N ATOM 464 CA PRO A 30 84.021 -11.682 24.961 1.00 0.00 C ATOM 465 C PRO A 30 85.060 -11.518 26.076 1.00 0.00 C ATOM 466 O PRO A 30 84.802 -10.895 27.080 1.00 0.00 O ATOM 467 CB PRO A 30 83.339 -13.067 25.033 1.00 0.00 C ATOM 468 CG PRO A 30 83.955 -13.872 23.929 1.00 0.00 C ATOM 469 CD PRO A 30 84.305 -12.865 22.840 1.00 0.00 C ATOM 0 HA PRO A 30 83.330 -10.853 25.113 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.506 -13.537 26.002 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.260 -12.981 24.902 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.843 -14.400 24.276 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.261 -14.626 23.558 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.153 -13.197 22.241 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.473 -12.706 22.155 1.00 0.00 H new ATOM 477 N VAL A 31 86.223 -12.077 25.914 1.00 0.00 N ATOM 478 CA VAL A 31 87.253 -11.964 26.985 1.00 0.00 C ATOM 479 C VAL A 31 87.547 -10.498 27.281 1.00 0.00 C ATOM 480 O VAL A 31 87.628 -10.102 28.428 1.00 0.00 O ATOM 481 CB VAL A 31 88.537 -12.691 26.535 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.689 -12.515 27.556 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.222 -14.182 26.380 1.00 0.00 C ATOM 0 H VAL A 31 86.507 -12.606 25.090 1.00 0.00 H new ATOM 0 HA VAL A 31 86.879 -12.428 27.898 1.00 0.00 H new ATOM 0 HB VAL A 31 88.865 -12.259 25.590 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.574 -13.043 27.200 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.918 -11.455 27.667 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.386 -12.923 28.520 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.120 -14.712 26.062 1.00 0.00 H new ATOM 0 HG22 VAL A 31 87.883 -14.583 27.335 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.439 -14.313 25.633 1.00 0.00 H new ATOM 493 N VAL A 32 87.724 -9.687 26.287 1.00 0.00 N ATOM 494 CA VAL A 32 88.022 -8.261 26.580 1.00 0.00 C ATOM 495 C VAL A 32 86.785 -7.610 27.191 1.00 0.00 C ATOM 496 O VAL A 32 86.849 -6.944 28.205 1.00 0.00 O ATOM 497 CB VAL A 32 88.420 -7.525 25.302 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.809 -6.088 25.657 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.613 -8.230 24.641 1.00 0.00 C ATOM 0 H VAL A 32 87.677 -9.939 25.300 1.00 0.00 H new ATOM 0 HA VAL A 32 88.854 -8.204 27.282 1.00 0.00 H new ATOM 0 HB VAL A 32 87.580 -7.523 24.607 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.095 -5.554 24.751 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.961 -5.586 26.122 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.649 -6.099 26.352 1.00 0.00 H new ATOM 0 HG21 VAL A 32 89.891 -7.699 23.730 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.458 -8.237 25.329 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.338 -9.255 24.394 1.00 0.00 H new ATOM 509 N ALA A 33 85.650 -7.804 26.577 1.00 0.00 N ATOM 510 CA ALA A 33 84.400 -7.202 27.113 1.00 0.00 C ATOM 511 C ALA A 33 84.053 -7.818 28.470 1.00 0.00 C ATOM 512 O ALA A 33 83.764 -7.116 29.421 1.00 0.00 O ATOM 513 CB ALA A 33 83.258 -7.457 26.129 1.00 0.00 C ATOM 0 H ALA A 33 85.536 -8.355 25.726 1.00 0.00 H new ATOM 0 HA ALA A 33 84.547 -6.130 27.242 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.339 -7.018 26.517 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.499 -7.005 25.167 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.121 -8.531 26.001 1.00 0.00 H new ATOM 519 N LYS A 34 84.081 -9.123 28.576 1.00 0.00 N ATOM 520 CA LYS A 34 83.746 -9.757 29.882 1.00 0.00 C ATOM 521 C LYS A 34 84.732 -9.298 30.959 1.00 0.00 C ATOM 522 O LYS A 34 84.372 -9.151 32.111 1.00 0.00 O ATOM 523 CB LYS A 34 83.760 -11.282 29.753 1.00 0.00 C ATOM 524 CG LYS A 34 82.558 -11.725 28.903 1.00 0.00 C ATOM 525 CD LYS A 34 82.503 -13.254 28.848 1.00 0.00 C ATOM 526 CE LYS A 34 81.358 -13.697 27.935 1.00 0.00 C ATOM 527 NZ LYS A 34 81.447 -15.168 27.706 1.00 0.00 N ATOM 0 H LYS A 34 84.319 -9.768 27.823 1.00 0.00 H new ATOM 0 HA LYS A 34 82.743 -9.447 30.176 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.690 -11.612 29.290 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.714 -11.743 30.739 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.634 -11.333 29.329 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.642 -11.318 27.896 1.00 0.00 H new ATOM 0 HD2 LYS A 34 83.449 -13.648 28.478 1.00 0.00 H new ATOM 0 HD3 LYS A 34 82.359 -13.659 29.850 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.399 -13.446 28.388 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.410 -13.166 26.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.669 -15.470 27.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 82.357 -15.395 27.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 81.377 -15.666 28.616 1.00 0.00 H new ATOM 541 N GLU A 35 85.968 -9.074 30.611 1.00 0.00 N ATOM 542 CA GLU A 35 86.946 -8.632 31.642 1.00 0.00 C ATOM 543 C GLU A 35 86.519 -7.283 32.227 1.00 0.00 C ATOM 544 O GLU A 35 86.665 -7.040 33.413 1.00 0.00 O ATOM 545 CB GLU A 35 88.333 -8.508 31.018 1.00 0.00 C ATOM 546 CG GLU A 35 89.385 -8.298 32.116 1.00 0.00 C ATOM 547 CD GLU A 35 89.402 -6.834 32.568 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.892 -5.998 31.841 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.929 -6.571 33.635 1.00 0.00 O ATOM 0 H GLU A 35 86.340 -9.177 29.667 1.00 0.00 H new ATOM 0 HA GLU A 35 86.976 -9.372 32.442 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.566 -9.407 30.447 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.353 -7.672 30.319 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.167 -8.945 32.966 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.370 -8.582 31.744 1.00 0.00 H new ATOM 556 N ILE A 36 86.000 -6.395 31.418 1.00 0.00 N ATOM 557 CA ILE A 36 85.582 -5.070 31.960 1.00 0.00 C ATOM 558 C ILE A 36 84.523 -5.291 33.038 1.00 0.00 C ATOM 559 O ILE A 36 84.524 -4.635 34.060 1.00 0.00 O ATOM 560 CB ILE A 36 85.000 -4.198 30.844 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.107 -3.850 29.838 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.430 -2.908 31.452 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.515 -3.077 28.653 1.00 0.00 C ATOM 0 H ILE A 36 85.849 -6.528 30.418 1.00 0.00 H new ATOM 0 HA ILE A 36 86.449 -4.563 32.383 1.00 0.00 H new ATOM 0 HB ILE A 36 84.205 -4.740 30.332 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.877 -3.252 30.325 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.588 -4.762 29.484 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.015 -2.285 30.660 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.645 -3.158 32.166 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.225 -2.364 31.962 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.307 -2.834 27.945 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.761 -3.690 28.159 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.055 -2.156 29.012 1.00 0.00 H new ATOM 575 N VAL A 37 83.619 -6.208 32.827 1.00 0.00 N ATOM 576 CA VAL A 37 82.574 -6.458 33.862 1.00 0.00 C ATOM 577 C VAL A 37 83.257 -6.948 35.137 1.00 0.00 C ATOM 578 O VAL A 37 82.900 -6.568 36.231 1.00 0.00 O ATOM 579 CB VAL A 37 81.597 -7.527 33.364 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.603 -7.861 34.475 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.837 -6.998 32.146 1.00 0.00 C ATOM 0 H VAL A 37 83.558 -6.790 31.992 1.00 0.00 H new ATOM 0 HA VAL A 37 82.023 -5.538 34.061 1.00 0.00 H new ATOM 0 HB VAL A 37 82.151 -8.424 33.085 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.906 -8.622 34.123 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.142 -8.237 35.345 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.051 -6.963 34.751 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.142 -7.759 31.792 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.283 -6.102 32.424 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.544 -6.756 31.353 1.00 0.00 H new ATOM 591 N ALA A 38 84.252 -7.782 34.994 1.00 0.00 N ATOM 592 CA ALA A 38 84.978 -8.300 36.189 1.00 0.00 C ATOM 593 C ALA A 38 85.593 -7.128 36.953 1.00 0.00 C ATOM 594 O ALA A 38 85.736 -7.160 38.159 1.00 0.00 O ATOM 595 CB ALA A 38 86.097 -9.239 35.735 1.00 0.00 C ATOM 0 H ALA A 38 84.594 -8.128 34.098 1.00 0.00 H new ATOM 0 HA ALA A 38 84.282 -8.838 36.832 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.629 -9.619 36.607 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.669 -10.073 35.179 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.791 -8.695 35.095 1.00 0.00 H new ATOM 601 N SER A 39 85.958 -6.094 36.256 1.00 0.00 N ATOM 602 CA SER A 39 86.567 -4.919 36.928 1.00 0.00 C ATOM 603 C SER A 39 85.472 -4.106 37.615 1.00 0.00 C ATOM 604 O SER A 39 85.700 -3.466 38.622 1.00 0.00 O ATOM 605 CB SER A 39 87.273 -4.049 35.890 1.00 0.00 C ATOM 606 OG SER A 39 88.159 -4.857 35.127 1.00 0.00 O ATOM 0 H SER A 39 85.860 -6.012 35.244 1.00 0.00 H new ATOM 0 HA SER A 39 87.290 -5.257 37.670 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.541 -3.575 35.237 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.825 -3.249 36.383 1.00 0.00 H new ATOM 0 HG SER A 39 87.643 -5.406 34.500 1.00 0.00 H new ATOM 612 N CYS A 40 84.283 -4.126 37.080 1.00 0.00 N ATOM 613 CA CYS A 40 83.176 -3.354 37.705 1.00 0.00 C ATOM 614 C CYS A 40 82.589 -4.161 38.858 1.00 0.00 C ATOM 615 O CYS A 40 81.818 -5.076 38.663 1.00 0.00 O ATOM 616 CB CYS A 40 82.089 -3.077 36.673 1.00 0.00 C ATOM 617 SG CYS A 40 80.733 -2.164 37.457 1.00 0.00 S ATOM 0 H CYS A 40 84.031 -4.643 36.238 1.00 0.00 H new ATOM 0 HA CYS A 40 83.563 -2.406 38.078 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.498 -2.501 35.843 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.719 -4.014 36.258 1.00 0.00 H new ATOM 0 HG CYS A 40 79.605 -2.508 36.910 1.00 0.00 H new ATOM 622 N ASP A 41 82.942 -3.817 40.058 1.00 0.00 N ATOM 623 CA ASP A 41 82.410 -4.546 41.240 1.00 0.00 C ATOM 624 C ASP A 41 80.880 -4.437 41.275 1.00 0.00 C ATOM 625 O ASP A 41 80.201 -5.306 41.784 1.00 0.00 O ATOM 626 CB ASP A 41 83.011 -3.947 42.514 1.00 0.00 C ATOM 627 CG ASP A 41 84.498 -4.304 42.590 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.928 -5.127 41.796 1.00 0.00 O ATOM 629 OD2 ASP A 41 85.178 -3.754 43.440 1.00 0.00 O ATOM 0 H ASP A 41 83.583 -3.054 40.276 1.00 0.00 H new ATOM 0 HA ASP A 41 82.683 -5.599 41.173 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.885 -2.864 42.515 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.488 -4.329 43.391 1.00 0.00 H new ATOM 634 N LYS A 42 80.331 -3.365 40.763 1.00 0.00 N ATOM 635 CA LYS A 42 78.845 -3.208 40.791 1.00 0.00 C ATOM 636 C LYS A 42 78.165 -4.187 39.824 1.00 0.00 C ATOM 637 O LYS A 42 77.176 -4.805 40.159 1.00 0.00 O ATOM 638 CB LYS A 42 78.480 -1.769 40.393 1.00 0.00 C ATOM 639 CG LYS A 42 79.120 -0.790 41.378 1.00 0.00 C ATOM 640 CD LYS A 42 78.665 0.638 41.065 1.00 0.00 C ATOM 641 CE LYS A 42 79.307 1.599 42.062 1.00 0.00 C ATOM 642 NZ LYS A 42 78.860 1.244 43.443 1.00 0.00 N ATOM 0 H LYS A 42 80.843 -2.597 40.330 1.00 0.00 H new ATOM 0 HA LYS A 42 78.496 -3.423 41.801 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.826 -1.561 39.381 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.397 -1.644 40.391 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.842 -1.054 42.398 1.00 0.00 H new ATOM 0 HG3 LYS A 42 80.206 -0.856 41.316 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.948 0.908 40.048 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.579 0.707 41.123 1.00 0.00 H new ATOM 0 HE2 LYS A 42 80.393 1.542 41.992 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.026 2.626 41.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.969 2.070 44.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 77.861 0.956 43.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.439 0.459 43.804 1.00 0.00 H new ATOM 656 N CYS A 43 78.677 -4.341 38.629 1.00 0.00 N ATOM 657 CA CYS A 43 78.035 -5.286 37.664 1.00 0.00 C ATOM 658 C CYS A 43 78.506 -6.707 37.946 1.00 0.00 C ATOM 659 O CYS A 43 77.853 -7.670 37.597 1.00 0.00 O ATOM 660 CB CYS A 43 78.417 -4.907 36.235 1.00 0.00 C ATOM 661 SG CYS A 43 77.604 -3.358 35.780 1.00 0.00 S ATOM 0 H CYS A 43 79.505 -3.858 38.281 1.00 0.00 H new ATOM 0 HA CYS A 43 76.953 -5.228 37.779 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.499 -4.799 36.153 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.123 -5.700 35.547 1.00 0.00 H new ATOM 0 HG CYS A 43 77.933 -3.036 34.564 1.00 0.00 H new ATOM 666 N GLN A 44 79.638 -6.850 38.571 1.00 0.00 N ATOM 667 CA GLN A 44 80.148 -8.213 38.867 1.00 0.00 C ATOM 668 C GLN A 44 79.381 -8.778 40.061 1.00 0.00 C ATOM 669 O GLN A 44 78.508 -9.611 39.911 1.00 0.00 O ATOM 670 CB GLN A 44 81.637 -8.130 39.197 1.00 0.00 C ATOM 671 CG GLN A 44 82.249 -9.531 39.168 1.00 0.00 C ATOM 672 CD GLN A 44 83.713 -9.444 39.602 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.275 -8.272 39.719 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.354 -10.451 39.829 1.00 0.00 N ATOM 0 H GLN A 44 80.231 -6.083 38.889 1.00 0.00 H new ATOM 0 HA GLN A 44 80.008 -8.864 38.004 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.144 -7.486 38.478 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.777 -7.681 40.181 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.698 -10.196 39.833 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.178 -9.952 38.165 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.914 -11.367 39.737 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.332 -10.380 40.111 1.00 0.00 H new ATOM 844 N PHE B 1 93.328 -13.860 20.676 1.00 0.00 N ATOM 845 CA PHE B 1 92.791 -13.693 22.059 1.00 0.00 C ATOM 846 C PHE B 1 92.484 -15.068 22.666 1.00 0.00 C ATOM 847 O PHE B 1 93.025 -15.445 23.683 1.00 0.00 O ATOM 848 CB PHE B 1 91.489 -12.878 22.014 1.00 0.00 C ATOM 849 CG PHE B 1 91.782 -11.422 21.732 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.077 -11.013 20.427 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.740 -10.477 22.766 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.330 -9.665 20.154 1.00 0.00 C ATOM 853 CE2 PHE B 1 91.997 -9.128 22.491 1.00 0.00 C ATOM 854 CZ PHE B 1 92.291 -8.723 21.187 1.00 0.00 C ATOM 0 H1 PHE B 1 93.234 -12.964 20.156 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.332 -14.129 20.723 1.00 0.00 H new ATOM 0 H3 PHE B 1 92.793 -14.604 20.183 1.00 0.00 H new ATOM 0 HA PHE B 1 93.535 -13.176 22.665 1.00 0.00 H new ATOM 0 HB2 PHE B 1 90.830 -13.278 21.243 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.962 -12.971 22.964 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.109 -11.740 19.629 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.510 -10.789 23.774 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.556 -9.351 19.145 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.968 -8.400 23.288 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.488 -7.682 20.976 1.00 0.00 H new ATOM 866 N LEU B 2 91.588 -15.797 22.059 1.00 0.00 N ATOM 867 CA LEU B 2 91.196 -17.130 22.603 1.00 0.00 C ATOM 868 C LEU B 2 92.288 -18.187 22.375 1.00 0.00 C ATOM 869 O LEU B 2 92.300 -19.212 23.032 1.00 0.00 O ATOM 870 CB LEU B 2 89.897 -17.579 21.913 1.00 0.00 C ATOM 871 CG LEU B 2 88.848 -16.456 21.970 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.517 -16.975 21.422 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.656 -15.989 23.419 1.00 0.00 C ATOM 0 H LEU B 2 91.106 -15.525 21.202 1.00 0.00 H new ATOM 0 HA LEU B 2 91.052 -17.033 23.679 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.101 -17.843 20.875 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.509 -18.474 22.400 1.00 0.00 H new ATOM 0 HG LEU B 2 89.192 -15.616 21.367 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.772 -16.180 21.462 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.649 -17.297 20.389 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.180 -17.819 22.024 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.911 -15.194 23.449 1.00 0.00 H new ATOM 0 HD22 LEU B 2 88.318 -16.826 24.029 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.603 -15.615 23.809 1.00 0.00 H new ATOM 885 N ASP B 3 93.181 -17.991 21.440 1.00 0.00 N ATOM 886 CA ASP B 3 94.221 -19.042 21.195 1.00 0.00 C ATOM 887 C ASP B 3 95.144 -19.198 22.413 1.00 0.00 C ATOM 888 O ASP B 3 95.251 -20.266 22.988 1.00 0.00 O ATOM 889 CB ASP B 3 95.059 -18.669 19.968 1.00 0.00 C ATOM 890 CG ASP B 3 94.187 -18.746 18.712 1.00 0.00 C ATOM 891 OD1 ASP B 3 93.072 -19.229 18.819 1.00 0.00 O ATOM 892 OD2 ASP B 3 94.652 -18.327 17.665 1.00 0.00 O ATOM 0 H ASP B 3 93.238 -17.165 20.844 1.00 0.00 H new ATOM 0 HA ASP B 3 93.711 -19.989 21.020 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.463 -17.663 20.082 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.909 -19.345 19.876 1.00 0.00 H new ATOM 897 N GLY B 4 95.812 -18.154 22.811 1.00 0.00 N ATOM 898 CA GLY B 4 96.730 -18.266 23.985 1.00 0.00 C ATOM 899 C GLY B 4 95.931 -18.556 25.255 1.00 0.00 C ATOM 900 O GLY B 4 96.337 -19.343 26.088 1.00 0.00 O ATOM 0 H GLY B 4 95.765 -17.231 22.380 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.456 -19.061 23.814 1.00 0.00 H new ATOM 0 HA3 GLY B 4 97.294 -17.341 24.105 1.00 0.00 H new ATOM 904 N ILE B 5 94.802 -17.926 25.416 1.00 0.00 N ATOM 905 CA ILE B 5 93.992 -18.159 26.644 1.00 0.00 C ATOM 906 C ILE B 5 93.588 -19.631 26.748 1.00 0.00 C ATOM 907 O ILE B 5 93.615 -20.212 27.816 1.00 0.00 O ATOM 908 CB ILE B 5 92.739 -17.293 26.582 1.00 0.00 C ATOM 909 CG1 ILE B 5 93.158 -15.826 26.579 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.855 -17.571 27.801 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.948 -14.946 26.257 1.00 0.00 C ATOM 0 H ILE B 5 94.405 -17.261 24.752 1.00 0.00 H new ATOM 0 HA ILE B 5 94.587 -17.898 27.519 1.00 0.00 H new ATOM 0 HB ILE B 5 92.176 -17.523 25.677 1.00 0.00 H new ATOM 0 HG12 ILE B 5 93.570 -15.553 27.551 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.945 -15.664 25.842 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.961 -16.949 27.751 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.566 -18.622 27.809 1.00 0.00 H new ATOM 0 HG23 ILE B 5 92.408 -17.340 28.712 1.00 0.00 H new ATOM 0 HD11 ILE B 5 92.250 -13.899 26.255 1.00 0.00 H new ATOM 0 HD12 ILE B 5 91.556 -15.212 25.275 1.00 0.00 H new ATOM 0 HD13 ILE B 5 91.175 -15.100 27.010 1.00 0.00 H new ATOM 923 N ASP B 6 93.219 -20.246 25.658 1.00 0.00 N ATOM 924 CA ASP B 6 92.822 -21.676 25.732 1.00 0.00 C ATOM 925 C ASP B 6 93.972 -22.471 26.345 1.00 0.00 C ATOM 926 O ASP B 6 93.774 -23.286 27.224 1.00 0.00 O ATOM 927 CB ASP B 6 92.513 -22.191 24.322 1.00 0.00 C ATOM 928 CG ASP B 6 91.949 -23.614 24.401 1.00 0.00 C ATOM 929 OD1 ASP B 6 92.257 -24.302 25.362 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.222 -23.993 23.493 1.00 0.00 O ATOM 0 H ASP B 6 93.176 -19.824 24.730 1.00 0.00 H new ATOM 0 HA ASP B 6 91.931 -21.791 26.350 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.795 -21.532 23.833 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.418 -22.182 23.715 1.00 0.00 H new ATOM 935 N LYS B 7 95.180 -22.228 25.912 1.00 0.00 N ATOM 936 CA LYS B 7 96.334 -22.966 26.506 1.00 0.00 C ATOM 937 C LYS B 7 96.546 -22.480 27.942 1.00 0.00 C ATOM 938 O LYS B 7 96.771 -23.260 28.849 1.00 0.00 O ATOM 939 CB LYS B 7 97.600 -22.706 25.679 1.00 0.00 C ATOM 940 CG LYS B 7 98.747 -23.574 26.210 1.00 0.00 C ATOM 941 CD LYS B 7 100.016 -23.317 25.391 1.00 0.00 C ATOM 942 CE LYS B 7 101.165 -24.163 25.947 1.00 0.00 C ATOM 943 NZ LYS B 7 102.424 -23.841 25.210 1.00 0.00 N ATOM 0 H LYS B 7 95.417 -21.558 25.181 1.00 0.00 H new ATOM 0 HA LYS B 7 96.126 -24.036 26.505 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.414 -22.933 24.629 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.872 -21.652 25.734 1.00 0.00 H new ATOM 0 HG2 LYS B 7 98.930 -23.348 27.261 1.00 0.00 H new ATOM 0 HG3 LYS B 7 98.474 -24.628 26.153 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.842 -23.565 24.344 1.00 0.00 H new ATOM 0 HD3 LYS B 7 100.278 -22.260 25.429 1.00 0.00 H new ATOM 0 HE2 LYS B 7 101.294 -23.966 27.011 1.00 0.00 H new ATOM 0 HE3 LYS B 7 100.932 -25.223 25.845 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 103.204 -24.416 25.588 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 102.298 -24.050 24.199 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 102.648 -22.832 25.329 1.00 0.00 H new ATOM 957 N ALA B 8 96.467 -21.197 28.154 1.00 0.00 N ATOM 958 CA ALA B 8 96.657 -20.664 29.530 1.00 0.00 C ATOM 959 C ALA B 8 95.512 -21.133 30.429 1.00 0.00 C ATOM 960 O ALA B 8 95.704 -21.398 31.599 1.00 0.00 O ATOM 961 CB ALA B 8 96.703 -19.134 29.494 1.00 0.00 C ATOM 0 H ALA B 8 96.280 -20.497 27.437 1.00 0.00 H new ATOM 0 HA ALA B 8 97.599 -21.036 29.932 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.842 -18.750 30.505 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.532 -18.810 28.865 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.767 -18.751 29.086 1.00 0.00 H new ATOM 967 N GLN B 9 94.323 -21.231 29.896 1.00 0.00 N ATOM 968 CA GLN B 9 93.176 -21.670 30.735 1.00 0.00 C ATOM 969 C GLN B 9 93.490 -23.040 31.332 1.00 0.00 C ATOM 970 O GLN B 9 93.207 -23.301 32.486 1.00 0.00 O ATOM 971 CB GLN B 9 91.912 -21.771 29.873 1.00 0.00 C ATOM 972 CG GLN B 9 90.694 -21.967 30.777 1.00 0.00 C ATOM 973 CD GLN B 9 89.444 -22.163 29.917 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.539 -22.365 28.723 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.263 -22.111 30.473 1.00 0.00 N ATOM 0 H GLN B 9 94.100 -21.027 28.922 1.00 0.00 H new ATOM 0 HA GLN B 9 93.011 -20.946 31.533 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.793 -20.867 29.275 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.999 -22.605 29.176 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.843 -22.832 31.423 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.568 -21.102 31.428 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.178 -21.942 31.475 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.426 -22.240 29.905 1.00 0.00 H new ATOM 984 N GLU B 10 94.085 -23.917 30.566 1.00 0.00 N ATOM 985 CA GLU B 10 94.419 -25.255 31.124 1.00 0.00 C ATOM 986 C GLU B 10 95.361 -25.070 32.306 1.00 0.00 C ATOM 987 O GLU B 10 95.242 -25.734 33.318 1.00 0.00 O ATOM 988 CB GLU B 10 95.102 -26.113 30.057 1.00 0.00 C ATOM 989 CG GLU B 10 95.277 -27.534 30.596 1.00 0.00 C ATOM 990 CD GLU B 10 95.959 -28.409 29.540 1.00 0.00 C ATOM 991 OE1 GLU B 10 96.075 -27.960 28.412 1.00 0.00 O ATOM 992 OE2 GLU B 10 96.353 -29.512 29.880 1.00 0.00 O ATOM 0 H GLU B 10 94.350 -23.766 29.593 1.00 0.00 H new ATOM 0 HA GLU B 10 93.506 -25.755 31.446 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.504 -26.127 29.146 1.00 0.00 H new ATOM 0 HB3 GLU B 10 96.071 -25.688 29.796 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.874 -27.516 31.508 1.00 0.00 H new ATOM 0 HG3 GLU B 10 94.307 -27.955 30.859 1.00 0.00 H new ATOM 999 N GLU B 11 96.298 -24.169 32.194 1.00 0.00 N ATOM 1000 CA GLU B 11 97.236 -23.946 33.326 1.00 0.00 C ATOM 1001 C GLU B 11 96.428 -23.524 34.551 1.00 0.00 C ATOM 1002 O GLU B 11 96.689 -23.950 35.658 1.00 0.00 O ATOM 1003 CB GLU B 11 98.237 -22.841 32.952 1.00 0.00 C ATOM 1004 CG GLU B 11 99.424 -22.880 33.915 1.00 0.00 C ATOM 1005 CD GLU B 11 100.332 -24.060 33.557 1.00 0.00 C ATOM 1006 OE1 GLU B 11 99.970 -24.810 32.664 1.00 0.00 O ATOM 1007 OE2 GLU B 11 101.373 -24.193 34.178 1.00 0.00 O ATOM 0 H GLU B 11 96.453 -23.583 31.374 1.00 0.00 H new ATOM 0 HA GLU B 11 97.787 -24.861 33.545 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.582 -22.980 31.927 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.752 -21.866 32.996 1.00 0.00 H new ATOM 0 HG2 GLU B 11 99.983 -21.946 33.858 1.00 0.00 H new ATOM 0 HG3 GLU B 11 99.070 -22.977 34.941 1.00 0.00 H new ATOM 1014 N HIS B 12 95.439 -22.697 34.363 1.00 0.00 N ATOM 1015 CA HIS B 12 94.618 -22.269 35.525 1.00 0.00 C ATOM 1016 C HIS B 12 93.958 -23.487 36.172 1.00 0.00 C ATOM 1017 O HIS B 12 93.940 -23.630 37.372 1.00 0.00 O ATOM 1018 CB HIS B 12 93.523 -21.306 35.074 1.00 0.00 C ATOM 1019 CG HIS B 12 92.797 -20.853 36.301 1.00 0.00 C ATOM 1020 ND1 HIS B 12 92.990 -19.585 36.866 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.964 -21.526 37.154 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.290 -19.548 38.020 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.670 -20.698 38.212 1.00 0.00 N ATOM 0 H HIS B 12 95.166 -22.302 33.463 1.00 0.00 H new ATOM 0 HA HIS B 12 95.271 -21.772 36.242 1.00 0.00 H new ATOM 0 HB2 HIS B 12 93.953 -20.455 34.546 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.839 -21.798 34.382 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.600 -22.534 37.019 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.244 -18.701 38.689 1.00 0.00 H new ATOM 0 HE2 HIS B 12 91.076 -20.932 39.007 1.00 0.00 H new ATOM 1031 N GLU B 13 93.403 -24.356 35.377 1.00 0.00 N ATOM 1032 CA GLU B 13 92.728 -25.562 35.939 1.00 0.00 C ATOM 1033 C GLU B 13 93.730 -26.415 36.726 1.00 0.00 C ATOM 1034 O GLU B 13 93.426 -26.942 37.776 1.00 0.00 O ATOM 1035 CB GLU B 13 92.150 -26.391 34.783 1.00 0.00 C ATOM 1036 CG GLU B 13 91.354 -27.576 35.338 1.00 0.00 C ATOM 1037 CD GLU B 13 90.836 -28.429 34.178 1.00 0.00 C ATOM 1038 OE1 GLU B 13 90.055 -27.917 33.394 1.00 0.00 O ATOM 1039 OE2 GLU B 13 91.231 -29.581 34.095 1.00 0.00 O ATOM 0 H GLU B 13 93.386 -24.285 34.360 1.00 0.00 H new ATOM 0 HA GLU B 13 91.931 -25.247 36.612 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.506 -25.767 34.163 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.956 -26.751 34.143 1.00 0.00 H new ATOM 0 HG2 GLU B 13 91.985 -28.177 35.993 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.520 -27.217 35.941 1.00 0.00 H new ATOM 1046 N LYS B 14 94.904 -26.578 36.198 1.00 0.00 N ATOM 1047 CA LYS B 14 95.930 -27.425 36.869 1.00 0.00 C ATOM 1048 C LYS B 14 96.345 -26.883 38.240 1.00 0.00 C ATOM 1049 O LYS B 14 96.749 -27.641 39.101 1.00 0.00 O ATOM 1050 CB LYS B 14 97.164 -27.513 35.972 1.00 0.00 C ATOM 1051 CG LYS B 14 96.805 -28.261 34.687 1.00 0.00 C ATOM 1052 CD LYS B 14 97.989 -28.223 33.714 1.00 0.00 C ATOM 1053 CE LYS B 14 99.082 -29.199 34.167 1.00 0.00 C ATOM 1054 NZ LYS B 14 100.078 -29.361 33.071 1.00 0.00 N ATOM 0 H LYS B 14 95.204 -26.157 35.319 1.00 0.00 H new ATOM 0 HA LYS B 14 95.487 -28.408 37.031 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.527 -26.513 35.735 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.970 -28.029 36.493 1.00 0.00 H new ATOM 0 HG2 LYS B 14 96.545 -29.294 34.918 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.928 -27.808 34.225 1.00 0.00 H new ATOM 0 HD2 LYS B 14 97.652 -28.484 32.711 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.393 -27.212 33.662 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.571 -28.825 35.066 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.643 -30.164 34.421 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 100.822 -30.022 33.373 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 99.605 -29.736 32.224 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.504 -28.438 32.850 1.00 0.00 H new ATOM 1068 N TYR B 15 96.307 -25.586 38.454 1.00 0.00 N ATOM 1069 CA TYR B 15 96.777 -25.040 39.777 1.00 0.00 C ATOM 1070 C TYR B 15 95.884 -23.901 40.287 1.00 0.00 C ATOM 1071 O TYR B 15 96.100 -23.389 41.366 1.00 0.00 O ATOM 1072 CB TYR B 15 98.193 -24.491 39.587 1.00 0.00 C ATOM 1073 CG TYR B 15 99.022 -25.484 38.802 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.683 -26.527 39.470 1.00 0.00 C ATOM 1075 CD2 TYR B 15 99.138 -25.363 37.406 1.00 0.00 C ATOM 1076 CE1 TYR B 15 100.456 -27.444 38.746 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.912 -26.282 36.686 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.570 -27.320 37.356 1.00 0.00 C ATOM 1079 OH TYR B 15 101.336 -28.225 36.645 1.00 0.00 O ATOM 0 H TYR B 15 95.978 -24.891 37.785 1.00 0.00 H new ATOM 0 HA TYR B 15 96.743 -25.847 40.509 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.156 -23.537 39.061 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.654 -24.303 40.557 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.596 -26.622 40.542 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.631 -24.562 36.889 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.964 -28.247 39.260 1.00 0.00 H new ATOM 0 HE2 TYR B 15 100.001 -26.190 35.614 1.00 0.00 H new ATOM 0 HH TYR B 15 101.327 -29.092 37.102 1.00 0.00 H new ATOM 1089 N HIS B 16 94.937 -23.455 39.518 1.00 0.00 N ATOM 1090 CA HIS B 16 94.093 -22.308 39.967 1.00 0.00 C ATOM 1091 C HIS B 16 95.039 -21.173 40.359 1.00 0.00 C ATOM 1092 O HIS B 16 94.841 -20.490 41.346 1.00 0.00 O ATOM 1093 CB HIS B 16 93.229 -22.685 41.185 1.00 0.00 C ATOM 1094 CG HIS B 16 92.065 -23.566 40.796 1.00 0.00 C ATOM 1095 ND1 HIS B 16 90.887 -23.080 40.250 1.00 0.00 N ATOM 1096 CD2 HIS B 16 91.841 -24.920 40.941 1.00 0.00 C ATOM 1097 CE1 HIS B 16 90.015 -24.079 40.091 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.547 -25.234 40.499 1.00 0.00 N ATOM 0 H HIS B 16 94.707 -23.831 38.598 1.00 0.00 H new ATOM 0 HA HIS B 16 93.420 -22.016 39.161 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.845 -23.201 41.922 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.855 -21.778 41.660 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.553 -25.630 41.335 1.00 0.00 H new ATOM 0 HE1 HIS B 16 89.019 -23.968 39.689 1.00 0.00 H new ATOM 0 HE2 HIS B 16 90.105 -26.153 40.491 1.00 0.00 H new ATOM 1106 N SER B 17 96.086 -20.986 39.600 1.00 0.00 N ATOM 1107 CA SER B 17 97.068 -19.919 39.934 1.00 0.00 C ATOM 1108 C SER B 17 96.426 -18.537 39.815 1.00 0.00 C ATOM 1109 O SER B 17 95.438 -18.354 39.137 1.00 0.00 O ATOM 1110 CB SER B 17 98.262 -20.004 38.985 1.00 0.00 C ATOM 1111 OG SER B 17 97.839 -19.682 37.669 1.00 0.00 O ATOM 0 H SER B 17 96.302 -21.528 38.763 1.00 0.00 H new ATOM 0 HA SER B 17 97.400 -20.065 40.962 1.00 0.00 H new ATOM 0 HB2 SER B 17 99.046 -19.318 39.306 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.688 -21.007 39.007 1.00 0.00 H new ATOM 0 HG SER B 17 98.603 -19.734 37.058 1.00 0.00 H new ATOM 1117 N ASN B 18 96.992 -17.557 40.471 1.00 0.00 N ATOM 1118 CA ASN B 18 96.428 -16.180 40.401 1.00 0.00 C ATOM 1119 C ASN B 18 96.719 -15.582 39.029 1.00 0.00 C ATOM 1120 O ASN B 18 97.597 -16.033 38.321 1.00 0.00 O ATOM 1121 CB ASN B 18 97.071 -15.309 41.480 1.00 0.00 C ATOM 1122 CG ASN B 18 96.704 -15.861 42.856 1.00 0.00 C ATOM 1123 OD1 ASN B 18 95.560 -16.189 43.108 1.00 0.00 O ATOM 1124 ND2 ASN B 18 97.631 -15.982 43.765 1.00 0.00 N ATOM 0 H ASN B 18 97.824 -17.654 41.054 1.00 0.00 H new ATOM 0 HA ASN B 18 95.351 -16.221 40.561 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.154 -15.297 41.357 1.00 0.00 H new ATOM 0 HB3 ASN B 18 96.728 -14.279 41.385 1.00 0.00 H new ATOM 0 HD21 ASN B 18 97.397 -16.351 44.686 1.00 0.00 H new ATOM 0 HD22 ASN B 18 98.591 -15.707 43.555 1.00 0.00 H new ATOM 1131 N TRP B 19 95.990 -14.572 38.645 1.00 0.00 N ATOM 1132 CA TRP B 19 96.232 -13.958 37.315 1.00 0.00 C ATOM 1133 C TRP B 19 97.675 -13.457 37.226 1.00 0.00 C ATOM 1134 O TRP B 19 98.263 -13.432 36.164 1.00 0.00 O ATOM 1135 CB TRP B 19 95.252 -12.803 37.087 1.00 0.00 C ATOM 1136 CG TRP B 19 95.566 -11.654 37.992 1.00 0.00 C ATOM 1137 CD1 TRP B 19 94.979 -11.424 39.189 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.519 -10.574 37.787 1.00 0.00 C ATOM 1139 NE1 TRP B 19 95.516 -10.269 39.733 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.469 -9.709 38.906 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.416 -10.265 36.750 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.278 -8.577 38.991 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.235 -9.127 36.832 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.166 -8.283 37.951 1.00 0.00 C ATOM 0 H TRP B 19 95.241 -14.148 39.193 1.00 0.00 H new ATOM 0 HA TRP B 19 96.074 -14.709 36.541 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.302 -12.478 36.048 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.232 -13.144 37.266 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.218 -12.039 39.645 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.241 -9.880 40.635 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.476 -10.907 35.884 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.220 -7.931 39.854 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.921 -8.900 36.030 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.797 -7.408 38.009 1.00 0.00 H new ATOM 1155 N ARG B 20 98.257 -13.063 38.327 1.00 0.00 N ATOM 1156 CA ARG B 20 99.664 -12.571 38.273 1.00 0.00 C ATOM 1157 C ARG B 20 100.586 -13.694 37.801 1.00 0.00 C ATOM 1158 O ARG B 20 101.490 -13.478 37.021 1.00 0.00 O ATOM 1159 CB ARG B 20 100.101 -12.114 39.667 1.00 0.00 C ATOM 1160 CG ARG B 20 99.204 -10.968 40.130 1.00 0.00 C ATOM 1161 CD ARG B 20 99.640 -10.511 41.521 1.00 0.00 C ATOM 1162 NE ARG B 20 101.046 -10.012 41.464 1.00 0.00 N ATOM 1163 CZ ARG B 20 101.534 -9.332 42.464 1.00 0.00 C ATOM 1164 NH1 ARG B 20 100.793 -9.098 43.511 1.00 0.00 N ATOM 1165 NH2 ARG B 20 102.760 -8.888 42.417 1.00 0.00 N ATOM 0 H ARG B 20 97.825 -13.060 39.251 1.00 0.00 H new ATOM 0 HA ARG B 20 99.723 -11.735 37.577 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.040 -12.945 40.370 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.142 -11.790 39.646 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.265 -10.137 39.427 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.164 -11.292 40.151 1.00 0.00 H new ATOM 0 HD2 ARG B 20 98.978 -9.723 41.881 1.00 0.00 H new ATOM 0 HD3 ARG B 20 99.565 -11.338 42.227 1.00 0.00 H new ATOM 0 HE ARG B 20 101.623 -10.202 40.645 1.00 0.00 H new ATOM 0 HH11 ARG B 20 99.835 -9.446 43.546 1.00 0.00 H new ATOM 0 HH12 ARG B 20 101.171 -8.566 44.295 1.00 0.00 H new ATOM 0 HH21 ARG B 20 103.338 -9.073 41.597 1.00 0.00 H new ATOM 0 HH22 ARG B 20 103.140 -8.356 43.200 1.00 0.00 H new ATOM 1179 N ALA B 21 100.357 -14.893 38.254 1.00 0.00 N ATOM 1180 CA ALA B 21 101.221 -16.026 37.821 1.00 0.00 C ATOM 1181 C ALA B 21 100.959 -16.325 36.345 1.00 0.00 C ATOM 1182 O ALA B 21 101.874 -16.432 35.553 1.00 0.00 O ATOM 1183 CB ALA B 21 100.901 -17.257 38.688 1.00 0.00 C ATOM 0 H ALA B 21 99.610 -15.138 38.904 1.00 0.00 H new ATOM 0 HA ALA B 21 102.273 -15.769 37.943 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.529 -18.093 38.379 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.095 -17.025 39.735 1.00 0.00 H new ATOM 0 HB3 ALA B 21 99.852 -17.526 38.565 1.00 0.00 H new ATOM 1189 N MET B 22 99.720 -16.457 35.969 1.00 0.00 N ATOM 1190 CA MET B 22 99.412 -16.740 34.541 1.00 0.00 C ATOM 1191 C MET B 22 99.909 -15.590 33.671 1.00 0.00 C ATOM 1192 O MET B 22 100.434 -15.795 32.595 1.00 0.00 O ATOM 1193 CB MET B 22 97.906 -16.886 34.361 1.00 0.00 C ATOM 1194 CG MET B 22 97.420 -18.114 35.130 1.00 0.00 C ATOM 1195 SD MET B 22 95.695 -18.452 34.706 1.00 0.00 S ATOM 1196 CE MET B 22 94.964 -17.034 35.560 1.00 0.00 C ATOM 0 H MET B 22 98.910 -16.382 36.585 1.00 0.00 H new ATOM 0 HA MET B 22 99.908 -17.664 34.246 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.397 -15.992 34.722 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.663 -16.986 33.303 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.040 -18.977 34.887 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.515 -17.945 36.203 1.00 0.00 H new ATOM 0 HE1 MET B 22 93.898 -17.207 35.705 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.446 -16.905 36.529 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.108 -16.135 34.961 1.00 0.00 H new ATOM 1206 N ALA B 23 99.750 -14.379 34.126 1.00 0.00 N ATOM 1207 CA ALA B 23 100.219 -13.228 33.308 1.00 0.00 C ATOM 1208 C ALA B 23 101.714 -13.385 33.033 1.00 0.00 C ATOM 1209 O ALA B 23 102.165 -13.273 31.912 1.00 0.00 O ATOM 1210 CB ALA B 23 99.973 -11.916 34.062 1.00 0.00 C ATOM 0 H ALA B 23 99.320 -14.138 35.019 1.00 0.00 H new ATOM 0 HA ALA B 23 99.670 -13.206 32.367 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.319 -11.078 33.457 1.00 0.00 H new ATOM 0 HB2 ALA B 23 98.907 -11.805 34.260 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.518 -11.931 35.006 1.00 0.00 H new ATOM 1216 N SER B 24 102.486 -13.646 34.049 1.00 0.00 N ATOM 1217 CA SER B 24 103.952 -13.812 33.847 1.00 0.00 C ATOM 1218 C SER B 24 104.237 -15.124 33.106 1.00 0.00 C ATOM 1219 O SER B 24 105.164 -15.218 32.327 1.00 0.00 O ATOM 1220 CB SER B 24 104.654 -13.825 35.206 1.00 0.00 C ATOM 1221 OG SER B 24 104.247 -12.685 35.952 1.00 0.00 O ATOM 0 H SER B 24 102.166 -13.752 35.012 1.00 0.00 H new ATOM 0 HA SER B 24 104.327 -12.981 33.250 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.406 -14.737 35.748 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.736 -13.819 35.070 1.00 0.00 H new ATOM 0 HG SER B 24 103.368 -12.852 36.351 1.00 0.00 H new ATOM 1227 N ASP B 25 103.457 -16.142 33.355 1.00 0.00 N ATOM 1228 CA ASP B 25 103.699 -17.452 32.681 1.00 0.00 C ATOM 1229 C ASP B 25 103.595 -17.300 31.159 1.00 0.00 C ATOM 1230 O ASP B 25 104.431 -17.791 30.426 1.00 0.00 O ATOM 1231 CB ASP B 25 102.663 -18.470 33.154 1.00 0.00 C ATOM 1232 CG ASP B 25 103.066 -19.866 32.668 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.940 -19.945 31.821 1.00 0.00 O ATOM 1234 OD2 ASP B 25 102.495 -20.829 33.152 1.00 0.00 O ATOM 0 H ASP B 25 102.663 -16.124 33.995 1.00 0.00 H new ATOM 0 HA ASP B 25 104.702 -17.794 32.937 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.594 -18.457 34.242 1.00 0.00 H new ATOM 0 HB3 ASP B 25 101.677 -18.209 32.769 1.00 0.00 H new ATOM 1239 N PHE B 26 102.580 -16.628 30.678 1.00 0.00 N ATOM 1240 CA PHE B 26 102.419 -16.441 29.196 1.00 0.00 C ATOM 1241 C PHE B 26 102.795 -15.012 28.804 1.00 0.00 C ATOM 1242 O PHE B 26 102.730 -14.637 27.653 1.00 0.00 O ATOM 1243 CB PHE B 26 100.965 -16.718 28.807 1.00 0.00 C ATOM 1244 CG PHE B 26 100.669 -18.179 29.038 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.913 -19.110 28.020 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.157 -18.604 30.269 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.644 -20.466 28.234 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.892 -19.963 30.485 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.135 -20.893 29.466 1.00 0.00 C ATOM 0 H PHE B 26 101.851 -16.198 31.247 1.00 0.00 H new ATOM 0 HA PHE B 26 103.077 -17.134 28.672 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.291 -16.098 29.399 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.799 -16.460 27.761 1.00 0.00 H new ATOM 0 HD1 PHE B 26 101.309 -18.781 27.070 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.966 -17.885 31.052 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.829 -21.184 27.448 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.501 -20.293 31.436 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.929 -21.940 29.631 1.00 0.00 H new ATOM 1259 N ASN B 27 103.192 -14.214 29.756 1.00 0.00 N ATOM 1260 CA ASN B 27 103.585 -12.809 29.444 1.00 0.00 C ATOM 1261 C ASN B 27 102.402 -12.066 28.807 1.00 0.00 C ATOM 1262 O ASN B 27 102.541 -11.430 27.781 1.00 0.00 O ATOM 1263 CB ASN B 27 104.778 -12.817 28.480 1.00 0.00 C ATOM 1264 CG ASN B 27 105.467 -11.450 28.504 1.00 0.00 C ATOM 1265 OD1 ASN B 27 105.298 -10.686 29.436 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.247 -11.108 27.516 1.00 0.00 N ATOM 0 H ASN B 27 103.262 -14.474 30.740 1.00 0.00 H new ATOM 0 HA ASN B 27 103.868 -12.298 30.364 1.00 0.00 H new ATOM 0 HB2 ASN B 27 105.484 -13.596 28.766 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.440 -13.048 27.470 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.714 -10.201 27.525 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.390 -11.747 26.734 1.00 0.00 H new ATOM 1273 N LEU B 28 101.244 -12.136 29.417 1.00 0.00 N ATOM 1274 CA LEU B 28 100.035 -11.434 28.867 1.00 0.00 C ATOM 1275 C LEU B 28 99.623 -10.329 29.847 1.00 0.00 C ATOM 1276 O LEU B 28 99.856 -10.441 31.035 1.00 0.00 O ATOM 1277 CB LEU B 28 98.888 -12.447 28.741 1.00 0.00 C ATOM 1278 CG LEU B 28 99.311 -13.605 27.830 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.276 -14.727 27.937 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.394 -13.132 26.370 1.00 0.00 C ATOM 0 H LEU B 28 101.080 -12.654 30.281 1.00 0.00 H new ATOM 0 HA LEU B 28 100.258 -11.004 27.891 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.618 -12.828 29.726 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.003 -11.958 28.335 1.00 0.00 H new ATOM 0 HG LEU B 28 100.291 -13.965 28.142 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.569 -15.555 27.292 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.220 -15.073 28.969 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.300 -14.353 27.626 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.695 -13.965 25.734 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.418 -12.766 26.050 1.00 0.00 H new ATOM 0 HD23 LEU B 28 100.127 -12.329 26.289 1.00 0.00 H new ATOM 1292 N PRO B 29 99.001 -9.268 29.373 1.00 0.00 N ATOM 1293 CA PRO B 29 98.554 -8.158 30.261 1.00 0.00 C ATOM 1294 C PRO B 29 97.548 -8.661 31.297 1.00 0.00 C ATOM 1295 O PRO B 29 96.990 -9.732 31.156 1.00 0.00 O ATOM 1296 CB PRO B 29 97.906 -7.141 29.300 1.00 0.00 C ATOM 1297 CG PRO B 29 97.573 -7.928 28.076 1.00 0.00 C ATOM 1298 CD PRO B 29 98.654 -8.999 27.965 1.00 0.00 C ATOM 0 HA PRO B 29 99.374 -7.722 30.832 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.013 -6.696 29.739 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.589 -6.323 29.070 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.583 -8.378 28.157 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.562 -7.290 27.192 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.286 -9.893 27.462 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.515 -8.646 27.398 1.00 0.00 H new ATOM 1306 N PRO B 30 97.327 -7.905 32.331 1.00 0.00 N ATOM 1307 CA PRO B 30 96.382 -8.291 33.418 1.00 0.00 C ATOM 1308 C PRO B 30 94.969 -8.582 32.892 1.00 0.00 C ATOM 1309 O PRO B 30 94.292 -9.462 33.377 1.00 0.00 O ATOM 1310 CB PRO B 30 96.380 -7.064 34.357 1.00 0.00 C ATOM 1311 CG PRO B 30 96.954 -5.945 33.546 1.00 0.00 C ATOM 1312 CD PRO B 30 97.945 -6.597 32.592 1.00 0.00 C ATOM 0 HA PRO B 30 96.689 -9.212 33.913 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.371 -6.828 34.694 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.978 -7.250 35.249 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.173 -5.417 32.999 1.00 0.00 H new ATOM 0 HG3 PRO B 30 97.448 -5.212 34.184 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.068 -6.017 31.677 1.00 0.00 H new ATOM 0 HD3 PRO B 30 98.933 -6.698 33.041 1.00 0.00 H new ATOM 1320 N VAL B 31 94.514 -7.848 31.920 1.00 0.00 N ATOM 1321 CA VAL B 31 93.136 -8.082 31.403 1.00 0.00 C ATOM 1322 C VAL B 31 92.987 -9.522 30.921 1.00 0.00 C ATOM 1323 O VAL B 31 92.002 -10.176 31.205 1.00 0.00 O ATOM 1324 CB VAL B 31 92.847 -7.105 30.247 1.00 0.00 C ATOM 1325 CG1 VAL B 31 91.460 -7.368 29.601 1.00 0.00 C ATOM 1326 CG2 VAL B 31 92.882 -5.676 30.800 1.00 0.00 C ATOM 0 H VAL B 31 95.032 -7.099 31.461 1.00 0.00 H new ATOM 0 HA VAL B 31 92.421 -7.911 32.208 1.00 0.00 H new ATOM 0 HB VAL B 31 93.604 -7.248 29.476 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.296 -6.658 28.791 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.429 -8.383 29.206 1.00 0.00 H new ATOM 0 HG13 VAL B 31 90.680 -7.248 30.353 1.00 0.00 H new ATOM 0 HG21 VAL B 31 92.679 -4.969 29.995 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.125 -5.568 31.577 1.00 0.00 H new ATOM 0 HG23 VAL B 31 93.866 -5.473 31.222 1.00 0.00 H new ATOM 1336 N VAL B 32 93.927 -10.028 30.185 1.00 0.00 N ATOM 1337 CA VAL B 32 93.769 -11.425 29.704 1.00 0.00 C ATOM 1338 C VAL B 32 93.875 -12.378 30.893 1.00 0.00 C ATOM 1339 O VAL B 32 93.065 -13.267 31.069 1.00 0.00 O ATOM 1340 CB VAL B 32 94.850 -11.758 28.673 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.605 -13.167 28.130 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.796 -10.750 27.515 1.00 0.00 C ATOM 0 H VAL B 32 94.781 -9.550 29.899 1.00 0.00 H new ATOM 0 HA VAL B 32 92.793 -11.534 29.230 1.00 0.00 H new ATOM 0 HB VAL B 32 95.831 -11.707 29.146 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.371 -13.412 27.395 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.646 -13.885 28.949 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.623 -13.210 27.659 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.568 -10.993 26.785 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.817 -10.797 27.037 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.964 -9.744 27.900 1.00 0.00 H new ATOM 1352 N ALA B 33 94.870 -12.193 31.715 1.00 0.00 N ATOM 1353 CA ALA B 33 95.034 -13.079 32.899 1.00 0.00 C ATOM 1354 C ALA B 33 93.884 -12.858 33.889 1.00 0.00 C ATOM 1355 O ALA B 33 93.279 -13.800 34.366 1.00 0.00 O ATOM 1356 CB ALA B 33 96.363 -12.767 33.587 1.00 0.00 C ATOM 0 H ALA B 33 95.578 -11.465 31.617 1.00 0.00 H new ATOM 0 HA ALA B 33 95.024 -14.118 32.569 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.485 -13.415 34.455 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.183 -12.937 32.889 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.371 -11.726 33.908 1.00 0.00 H new ATOM 1362 N LYS B 34 93.563 -11.628 34.201 1.00 0.00 N ATOM 1363 CA LYS B 34 92.447 -11.386 35.158 1.00 0.00 C ATOM 1364 C LYS B 34 91.140 -11.959 34.606 1.00 0.00 C ATOM 1365 O LYS B 34 90.311 -12.449 35.349 1.00 0.00 O ATOM 1366 CB LYS B 34 92.298 -9.887 35.438 1.00 0.00 C ATOM 1367 CG LYS B 34 93.496 -9.409 36.268 1.00 0.00 C ATOM 1368 CD LYS B 34 93.324 -7.931 36.616 1.00 0.00 C ATOM 1369 CE LYS B 34 94.543 -7.435 37.394 1.00 0.00 C ATOM 1370 NZ LYS B 34 94.458 -5.953 37.557 1.00 0.00 N ATOM 0 H LYS B 34 94.020 -10.792 33.838 1.00 0.00 H new ATOM 0 HA LYS B 34 92.678 -11.891 36.096 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.245 -9.333 34.501 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.369 -9.695 35.974 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.578 -10.000 37.180 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.420 -9.556 35.709 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.200 -7.346 35.705 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.421 -7.791 37.210 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.586 -7.917 38.370 1.00 0.00 H new ATOM 0 HE3 LYS B 34 95.458 -7.702 36.866 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 95.287 -5.614 38.086 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.437 -5.501 36.620 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.591 -5.710 38.078 1.00 0.00 H new ATOM 1384 N GLU B 35 90.942 -11.910 33.318 1.00 0.00 N ATOM 1385 CA GLU B 35 89.680 -12.459 32.752 1.00 0.00 C ATOM 1386 C GLU B 35 89.571 -13.953 33.063 1.00 0.00 C ATOM 1387 O GLU B 35 88.499 -14.455 33.350 1.00 0.00 O ATOM 1388 CB GLU B 35 89.651 -12.239 31.243 1.00 0.00 C ATOM 1389 CG GLU B 35 88.258 -12.575 30.695 1.00 0.00 C ATOM 1390 CD GLU B 35 88.097 -14.094 30.551 1.00 0.00 C ATOM 1391 OE1 GLU B 35 89.104 -14.784 30.529 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.965 -14.542 30.463 1.00 0.00 O ATOM 0 H GLU B 35 91.594 -11.517 32.639 1.00 0.00 H new ATOM 0 HA GLU B 35 88.834 -11.942 33.205 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.902 -11.204 31.012 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.402 -12.865 30.761 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.492 -12.183 31.364 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.114 -12.093 29.728 1.00 0.00 H new ATOM 1399 N ILE B 36 90.658 -14.677 33.000 1.00 0.00 N ATOM 1400 CA ILE B 36 90.577 -16.138 33.296 1.00 0.00 C ATOM 1401 C ILE B 36 90.052 -16.334 34.713 1.00 0.00 C ATOM 1402 O ILE B 36 89.254 -17.213 34.974 1.00 0.00 O ATOM 1403 CB ILE B 36 91.960 -16.784 33.178 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.429 -16.723 31.718 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.874 -18.247 33.636 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.862 -17.253 31.603 1.00 0.00 C ATOM 0 H ILE B 36 91.585 -14.327 32.760 1.00 0.00 H new ATOM 0 HA ILE B 36 89.905 -16.608 32.578 1.00 0.00 H new ATOM 0 HB ILE B 36 92.672 -16.249 33.806 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.763 -17.314 31.089 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.383 -15.696 31.356 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.856 -18.712 33.554 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.540 -18.285 34.673 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.165 -18.784 33.007 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.185 -17.205 30.563 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.525 -16.644 32.217 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.896 -18.287 31.947 1.00 0.00 H new ATOM 1418 N VAL B 37 90.491 -15.524 35.633 1.00 0.00 N ATOM 1419 CA VAL B 37 89.998 -15.675 37.029 1.00 0.00 C ATOM 1420 C VAL B 37 88.491 -15.424 37.043 1.00 0.00 C ATOM 1421 O VAL B 37 87.740 -16.100 37.720 1.00 0.00 O ATOM 1422 CB VAL B 37 90.698 -14.662 37.936 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.099 -14.739 39.340 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.194 -14.979 38.005 1.00 0.00 C ATOM 0 H VAL B 37 91.163 -14.771 35.482 1.00 0.00 H new ATOM 0 HA VAL B 37 90.212 -16.680 37.393 1.00 0.00 H new ATOM 0 HB VAL B 37 90.559 -13.659 37.532 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.597 -14.018 39.988 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.034 -14.511 39.294 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.238 -15.743 39.740 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.690 -14.255 38.652 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.335 -15.982 38.407 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.624 -14.926 37.005 1.00 0.00 H new ATOM 1434 N ALA B 38 88.046 -14.460 36.288 1.00 0.00 N ATOM 1435 CA ALA B 38 86.588 -14.155 36.234 1.00 0.00 C ATOM 1436 C ALA B 38 85.836 -15.385 35.729 1.00 0.00 C ATOM 1437 O ALA B 38 84.696 -15.621 36.075 1.00 0.00 O ATOM 1438 CB ALA B 38 86.350 -12.993 35.270 1.00 0.00 C ATOM 0 H ALA B 38 88.633 -13.866 35.702 1.00 0.00 H new ATOM 0 HA ALA B 38 86.233 -13.887 37.229 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.284 -12.767 35.228 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.894 -12.115 35.618 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.702 -13.267 34.276 1.00 0.00 H new ATOM 1444 N SER B 39 86.468 -16.164 34.900 1.00 0.00 N ATOM 1445 CA SER B 39 85.798 -17.375 34.359 1.00 0.00 C ATOM 1446 C SER B 39 85.801 -18.466 35.423 1.00 0.00 C ATOM 1447 O SER B 39 84.917 -19.298 35.472 1.00 0.00 O ATOM 1448 CB SER B 39 86.554 -17.868 33.125 1.00 0.00 C ATOM 1449 OG SER B 39 86.706 -16.792 32.208 1.00 0.00 O ATOM 0 H SER B 39 87.422 -16.014 34.573 1.00 0.00 H new ATOM 0 HA SER B 39 84.772 -17.133 34.083 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.531 -18.256 33.413 1.00 0.00 H new ATOM 0 HB3 SER B 39 86.011 -18.688 32.655 1.00 0.00 H new ATOM 0 HG SER B 39 87.367 -16.157 32.555 1.00 0.00 H new ATOM 1455 N CYS B 40 86.787 -18.473 36.278 1.00 0.00 N ATOM 1456 CA CYS B 40 86.840 -19.518 37.338 1.00 0.00 C ATOM 1457 C CYS B 40 85.950 -19.102 38.506 1.00 0.00 C ATOM 1458 O CYS B 40 86.304 -18.265 39.313 1.00 0.00 O ATOM 1459 CB CYS B 40 88.276 -19.682 37.827 1.00 0.00 C ATOM 1460 SG CYS B 40 88.325 -20.926 39.145 1.00 0.00 S ATOM 0 H CYS B 40 87.556 -17.802 36.288 1.00 0.00 H new ATOM 0 HA CYS B 40 86.488 -20.465 36.929 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.920 -19.985 37.002 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.657 -18.730 38.196 1.00 0.00 H new ATOM 0 HG CYS B 40 89.216 -20.587 40.029 1.00 0.00 H new ATOM 1465 N ASP B 41 84.790 -19.681 38.593 1.00 0.00 N ATOM 1466 CA ASP B 41 83.859 -19.335 39.695 1.00 0.00 C ATOM 1467 C ASP B 41 84.507 -19.661 41.044 1.00 0.00 C ATOM 1468 O ASP B 41 84.205 -19.047 42.047 1.00 0.00 O ATOM 1469 CB ASP B 41 82.562 -20.133 39.524 1.00 0.00 C ATOM 1470 CG ASP B 41 81.797 -19.604 38.306 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.168 -18.553 37.807 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.851 -20.258 37.895 1.00 0.00 O ATOM 0 H ASP B 41 84.444 -20.386 37.942 1.00 0.00 H new ATOM 0 HA ASP B 41 83.634 -18.269 39.666 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.788 -21.191 39.394 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.947 -20.046 40.420 1.00 0.00 H new ATOM 1477 N LYS B 42 85.383 -20.630 41.082 1.00 0.00 N ATOM 1478 CA LYS B 42 86.022 -21.001 42.381 1.00 0.00 C ATOM 1479 C LYS B 42 87.020 -19.922 42.828 1.00 0.00 C ATOM 1480 O LYS B 42 87.061 -19.551 43.988 1.00 0.00 O ATOM 1481 CB LYS B 42 86.768 -22.329 42.218 1.00 0.00 C ATOM 1482 CG LYS B 42 85.777 -23.422 41.813 1.00 0.00 C ATOM 1483 CD LYS B 42 86.476 -24.783 41.808 1.00 0.00 C ATOM 1484 CE LYS B 42 85.486 -25.856 41.362 1.00 0.00 C ATOM 1485 NZ LYS B 42 84.402 -25.983 42.377 1.00 0.00 N ATOM 0 H LYS B 42 85.683 -21.178 40.276 1.00 0.00 H new ATOM 0 HA LYS B 42 85.241 -21.093 43.135 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.547 -22.231 41.462 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.262 -22.598 43.152 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.936 -23.438 42.507 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.371 -23.208 40.824 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.334 -24.762 41.136 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.856 -25.013 42.803 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.062 -25.595 40.392 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.998 -26.810 41.240 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 83.920 -26.897 42.258 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.812 -25.929 43.331 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 83.716 -25.211 42.251 1.00 0.00 H new ATOM 1499 N CYS B 43 87.816 -19.402 41.932 1.00 0.00 N ATOM 1500 CA CYS B 43 88.793 -18.345 42.335 1.00 0.00 C ATOM 1501 C CYS B 43 88.099 -16.986 42.356 1.00 0.00 C ATOM 1502 O CYS B 43 88.530 -16.066 43.026 1.00 0.00 O ATOM 1503 CB CYS B 43 89.954 -18.302 41.337 1.00 0.00 C ATOM 1504 SG CYS B 43 90.975 -19.786 41.530 1.00 0.00 S ATOM 0 H CYS B 43 87.834 -19.660 40.945 1.00 0.00 H new ATOM 0 HA CYS B 43 89.177 -18.577 43.329 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.570 -18.242 40.319 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.557 -17.409 41.503 1.00 0.00 H new ATOM 0 HG CYS B 43 91.971 -19.739 40.696 1.00 0.00 H new ATOM 1509 N GLN B 44 87.030 -16.850 41.623 1.00 0.00 N ATOM 1510 CA GLN B 44 86.310 -15.549 41.593 1.00 0.00 C ATOM 1511 C GLN B 44 85.490 -15.404 42.871 1.00 0.00 C ATOM 1512 O GLN B 44 85.850 -14.666 43.765 1.00 0.00 O ATOM 1513 CB GLN B 44 85.390 -15.515 40.375 1.00 0.00 C ATOM 1514 CG GLN B 44 84.887 -14.091 40.151 1.00 0.00 C ATOM 1515 CD GLN B 44 83.904 -14.083 38.980 1.00 0.00 C ATOM 1516 OE1 GLN B 44 83.249 -13.090 38.727 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.767 -15.159 38.255 1.00 0.00 N ATOM 0 H GLN B 44 86.624 -17.585 41.043 1.00 0.00 H new ATOM 0 HA GLN B 44 87.022 -14.727 41.528 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.926 -15.865 39.493 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.547 -16.190 40.525 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.400 -13.719 41.052 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.725 -13.425 39.943 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.317 -15.991 38.468 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.110 -15.168 37.475 1.00 0.00 H new