USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=25 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: B 12 HIS : no HD1:sc= -3.65! C(o=-2.9!,f=-4.2!) USER MOD Set 1.2: B 16 HIS : no HD1:sc= -0.0578 K(o=-2.9,f=-4.1) USER MOD Set 1.3: B 22 MET CE :methyl -159:sc= -0.379 (180deg=-2.28) USER MOD Set 1.4: B 40 CYS SG : rot -142:sc= 1.11 USER MOD Set 1.5: B 43 CYS SG : rot -170:sc= 0.1 USER MOD Set 2.1: A 12 HIS : no HD1:sc= -3.28! C(o=-2.3!,f=-3.9!) USER MOD Set 2.2: A 16 HIS : no HD1:sc= -0.021 K(o=-2.3,f=-3.7) USER MOD Set 2.3: A 22 MET CE :methyl -159:sc= -0.202 (180deg=-1.94) USER MOD Set 2.4: A 40 CYS SG : rot -145:sc= 1.1 USER MOD Set 2.5: A 43 CYS SG : rot -170:sc= 0.142 USER MOD Single : A 1 PHE N :NH3+ 152:sc= 0.5 (180deg=0.134) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= -0.0434 (180deg=-0.538) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.205 USER MOD Single : A 17 SER OG : rot 180:sc= -0.548 USER MOD Single : A 18 ASN :FLIP amide:sc=-0.00268 F(o=-0.84,f=-0.0027) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.0708 F(o=-1.4,f=-0.071) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -168:sc= -0.0126 (180deg=-0.235) USER MOD Single : A 44 GLN : amide:sc= -1.54 K(o=-1.5,f=-3.7!) USER MOD Single : B 1 PHE N :NH3+ 158:sc= 0.635 (180deg=0.221) USER MOD Single : B 7 LYS NZ :NH3+ 159:sc= -0.0467 (180deg=-0.512) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 30:sc= -0.207 USER MOD Single : B 17 SER OG : rot 173:sc= -0.659 USER MOD Single : B 18 ASN :FLIP amide:sc= -0.0162 F(o=-0.83,f=-0.016) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN :FLIP amide:sc= -0.101 F(o=-1.3,f=-0.1) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ -167:sc=-0.00351 (180deg=-0.255) USER MOD Single : B 44 GLN :FLIP amide:sc= -1.71 F(o=-3.4!,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.896 -3.569 24.116 1.00 0.00 N ATOM 2 CA PHE A 1 94.302 -4.126 25.364 1.00 0.00 C ATOM 3 C PHE A 1 93.952 -2.985 26.327 1.00 0.00 C ATOM 4 O PHE A 1 92.799 -2.726 26.606 1.00 0.00 O ATOM 5 CB PHE A 1 95.314 -5.058 26.050 1.00 0.00 C ATOM 6 CG PHE A 1 95.436 -6.358 25.287 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.334 -6.458 24.217 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.662 -7.472 25.657 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.459 -7.667 23.517 1.00 0.00 C ATOM 10 CE2 PHE A 1 94.788 -8.677 24.954 1.00 0.00 C ATOM 11 CZ PHE A 1 95.686 -8.774 23.885 1.00 0.00 C ATOM 0 H1 PHE A 1 95.540 -4.269 23.695 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.138 -3.346 23.440 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.426 -2.703 24.340 1.00 0.00 H new ATOM 0 HA PHE A 1 93.401 -4.682 25.107 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.287 -4.570 26.107 1.00 0.00 H new ATOM 0 HB3 PHE A 1 94.998 -5.258 27.074 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.930 -5.604 23.931 1.00 0.00 H new ATOM 0 HD2 PHE A 1 93.970 -7.399 26.483 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.153 -7.744 22.693 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.192 -9.532 25.237 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.782 -9.704 23.344 1.00 0.00 H new ATOM 23 N LEU A 2 94.946 -2.322 26.855 1.00 0.00 N ATOM 24 CA LEU A 2 94.687 -1.221 27.828 1.00 0.00 C ATOM 25 C LEU A 2 94.133 0.034 27.126 1.00 0.00 C ATOM 26 O LEU A 2 93.248 0.691 27.637 1.00 0.00 O ATOM 27 CB LEU A 2 96.000 -0.874 28.541 1.00 0.00 C ATOM 28 CG LEU A 2 96.705 -2.159 29.014 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.899 -1.788 29.897 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.738 -3.028 29.825 1.00 0.00 C ATOM 0 H LEU A 2 95.931 -2.496 26.653 1.00 0.00 H new ATOM 0 HA LEU A 2 93.939 -1.559 28.545 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.653 -0.320 27.867 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.799 -0.226 29.394 1.00 0.00 H new ATOM 0 HG LEU A 2 97.043 -2.716 28.140 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.399 -2.696 30.233 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.599 -1.178 29.325 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.550 -1.225 30.763 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.250 -3.933 30.153 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.391 -2.471 30.696 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.884 -3.299 29.204 1.00 0.00 H new ATOM 42 N ASP A 3 94.648 0.391 25.981 1.00 0.00 N ATOM 43 CA ASP A 3 94.140 1.622 25.291 1.00 0.00 C ATOM 44 C ASP A 3 92.681 1.439 24.866 1.00 0.00 C ATOM 45 O ASP A 3 91.865 2.332 25.000 1.00 0.00 O ATOM 46 CB ASP A 3 94.988 1.894 24.046 1.00 0.00 C ATOM 47 CG ASP A 3 96.396 2.322 24.464 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.574 2.651 25.625 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.273 2.310 23.617 1.00 0.00 O ATOM 0 H ASP A 3 95.392 -0.108 25.493 1.00 0.00 H new ATOM 0 HA ASP A 3 94.207 2.460 25.985 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.039 0.999 23.426 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.525 2.674 23.442 1.00 0.00 H new ATOM 54 N GLY A 4 92.347 0.295 24.344 1.00 0.00 N ATOM 55 CA GLY A 4 90.943 0.061 23.900 1.00 0.00 C ATOM 56 C GLY A 4 90.019 -0.010 25.113 1.00 0.00 C ATOM 57 O GLY A 4 88.985 0.623 25.158 1.00 0.00 O ATOM 0 H GLY A 4 92.984 -0.490 24.204 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.624 0.864 23.236 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.882 -0.867 23.331 1.00 0.00 H new ATOM 61 N ILE A 5 90.386 -0.779 26.093 1.00 0.00 N ATOM 62 CA ILE A 5 89.536 -0.901 27.305 1.00 0.00 C ATOM 63 C ILE A 5 89.361 0.461 27.966 1.00 0.00 C ATOM 64 O ILE A 5 88.304 0.780 28.466 1.00 0.00 O ATOM 65 CB ILE A 5 90.181 -1.884 28.282 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.088 -3.293 27.683 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.448 -1.843 29.630 1.00 0.00 C ATOM 68 CD1 ILE A 5 90.994 -4.272 28.444 1.00 0.00 C ATOM 0 H ILE A 5 91.243 -1.332 26.108 1.00 0.00 H new ATOM 0 HA ILE A 5 88.553 -1.273 27.018 1.00 0.00 H new ATOM 0 HB ILE A 5 91.224 -1.614 28.447 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.056 -3.641 27.721 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.377 -3.266 26.632 1.00 0.00 H new ATOM 0 HG21 ILE A 5 89.915 -2.547 30.319 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.505 -0.837 30.045 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.403 -2.117 29.484 1.00 0.00 H new ATOM 0 HD11 ILE A 5 90.911 -5.264 28.001 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.028 -3.933 28.383 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.687 -4.315 29.489 1.00 0.00 H new ATOM 80 N ASP A 6 90.378 1.265 27.991 1.00 0.00 N ATOM 81 CA ASP A 6 90.232 2.589 28.646 1.00 0.00 C ATOM 82 C ASP A 6 89.056 3.332 28.016 1.00 0.00 C ATOM 83 O ASP A 6 88.224 3.886 28.706 1.00 0.00 O ATOM 84 CB ASP A 6 91.515 3.389 28.445 1.00 0.00 C ATOM 85 CG ASP A 6 92.657 2.709 29.198 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.372 1.866 30.031 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.798 3.041 28.928 1.00 0.00 O ATOM 0 H ASP A 6 91.296 1.068 27.592 1.00 0.00 H new ATOM 0 HA ASP A 6 90.049 2.460 29.713 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.753 3.456 27.383 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.382 4.409 28.807 1.00 0.00 H new ATOM 92 N LYS A 7 88.956 3.329 26.714 1.00 0.00 N ATOM 93 CA LYS A 7 87.802 4.021 26.075 1.00 0.00 C ATOM 94 C LYS A 7 86.522 3.241 26.373 1.00 0.00 C ATOM 95 O LYS A 7 85.497 3.806 26.697 1.00 0.00 O ATOM 96 CB LYS A 7 88.001 4.089 24.556 1.00 0.00 C ATOM 97 CG LYS A 7 89.264 4.882 24.223 1.00 0.00 C ATOM 98 CD LYS A 7 89.420 4.968 22.703 1.00 0.00 C ATOM 99 CE LYS A 7 90.704 5.725 22.364 1.00 0.00 C ATOM 100 NZ LYS A 7 91.878 4.943 22.843 1.00 0.00 N ATOM 0 H LYS A 7 89.613 2.884 26.074 1.00 0.00 H new ATOM 0 HA LYS A 7 87.729 5.033 26.474 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.077 3.082 24.147 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.135 4.558 24.089 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.203 5.883 24.651 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.137 4.400 24.663 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.451 3.967 22.273 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.560 5.476 22.267 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.773 5.884 21.288 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.693 6.710 22.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 92.732 5.256 22.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 92.003 5.095 23.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 91.719 3.932 22.661 1.00 0.00 H new ATOM 114 N ALA A 8 86.582 1.942 26.269 1.00 0.00 N ATOM 115 CA ALA A 8 85.378 1.111 26.548 1.00 0.00 C ATOM 116 C ALA A 8 85.019 1.199 28.028 1.00 0.00 C ATOM 117 O ALA A 8 83.862 1.224 28.399 1.00 0.00 O ATOM 118 CB ALA A 8 85.661 -0.345 26.170 1.00 0.00 C ATOM 0 H ALA A 8 87.416 1.419 26.002 1.00 0.00 H new ATOM 0 HA ALA A 8 84.541 1.482 25.956 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.779 -0.952 26.375 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.904 -0.405 25.109 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.501 -0.716 26.757 1.00 0.00 H new ATOM 124 N GLN A 9 86.003 1.236 28.880 1.00 0.00 N ATOM 125 CA GLN A 9 85.719 1.313 30.333 1.00 0.00 C ATOM 126 C GLN A 9 84.849 2.534 30.611 1.00 0.00 C ATOM 127 O GLN A 9 83.921 2.481 31.395 1.00 0.00 O ATOM 128 CB GLN A 9 87.038 1.439 31.097 1.00 0.00 C ATOM 129 CG GLN A 9 86.782 1.269 32.594 1.00 0.00 C ATOM 130 CD GLN A 9 88.105 1.363 33.353 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.033 2.012 32.903 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.237 0.737 34.487 1.00 0.00 N ATOM 0 H GLN A 9 86.992 1.216 28.630 1.00 0.00 H new ATOM 0 HA GLN A 9 85.196 0.413 30.656 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.744 0.684 30.751 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.491 2.412 30.903 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.094 2.038 32.945 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.309 0.306 32.785 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.460 0.194 34.863 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.118 0.790 34.999 1.00 0.00 H new ATOM 141 N GLU A 10 85.125 3.632 29.966 1.00 0.00 N ATOM 142 CA GLU A 10 84.293 4.846 30.194 1.00 0.00 C ATOM 143 C GLU A 10 82.854 4.541 29.791 1.00 0.00 C ATOM 144 O GLU A 10 81.915 4.886 30.479 1.00 0.00 O ATOM 145 CB GLU A 10 84.823 5.994 29.335 1.00 0.00 C ATOM 146 CG GLU A 10 84.189 7.306 29.792 1.00 0.00 C ATOM 147 CD GLU A 10 84.541 8.412 28.797 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.217 8.113 27.826 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.127 9.536 29.020 1.00 0.00 O ATOM 0 H GLU A 10 85.885 3.742 29.295 1.00 0.00 H new ATOM 0 HA GLU A 10 84.334 5.130 31.246 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.908 6.054 29.418 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.593 5.813 28.285 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.107 7.195 29.862 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.547 7.569 30.787 1.00 0.00 H new ATOM 156 N GLU A 11 82.682 3.889 28.673 1.00 0.00 N ATOM 157 CA GLU A 11 81.310 3.551 28.215 1.00 0.00 C ATOM 158 C GLU A 11 80.649 2.665 29.270 1.00 0.00 C ATOM 159 O GLU A 11 79.486 2.814 29.578 1.00 0.00 O ATOM 160 CB GLU A 11 81.403 2.797 26.882 1.00 0.00 C ATOM 161 CG GLU A 11 80.038 2.786 26.192 1.00 0.00 C ATOM 162 CD GLU A 11 79.769 4.158 25.567 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.618 5.024 25.699 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.716 4.320 24.973 1.00 0.00 O ATOM 0 H GLU A 11 83.434 3.577 28.059 1.00 0.00 H new ATOM 0 HA GLU A 11 80.718 4.456 28.076 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.142 3.272 26.237 1.00 0.00 H new ATOM 0 HB3 GLU A 11 81.741 1.775 27.055 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.014 2.014 25.423 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.257 2.543 26.912 1.00 0.00 H new ATOM 171 N HIS A 12 81.387 1.753 29.840 1.00 0.00 N ATOM 172 CA HIS A 12 80.795 0.870 30.880 1.00 0.00 C ATOM 173 C HIS A 12 80.323 1.711 32.063 1.00 0.00 C ATOM 174 O HIS A 12 79.232 1.548 32.559 1.00 0.00 O ATOM 175 CB HIS A 12 81.831 -0.135 31.389 1.00 0.00 C ATOM 176 CG HIS A 12 81.146 -1.038 32.374 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.786 -2.356 32.065 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.636 -0.790 33.624 1.00 0.00 C ATOM 179 CE1 HIS A 12 80.078 -2.838 33.110 1.00 0.00 C ATOM 180 NE2 HIS A 12 79.974 -1.916 34.054 1.00 0.00 N ATOM 0 H HIS A 12 82.371 1.582 29.631 1.00 0.00 H new ATOM 0 HA HIS A 12 79.957 0.336 30.433 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.241 -0.713 30.561 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.666 0.383 31.861 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.737 0.133 34.176 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.658 -3.831 33.167 1.00 0.00 H new ATOM 0 HE2 HIS A 12 79.488 -2.022 34.944 1.00 0.00 H new ATOM 188 N GLU A 13 81.149 2.592 32.533 1.00 0.00 N ATOM 189 CA GLU A 13 80.760 3.431 33.697 1.00 0.00 C ATOM 190 C GLU A 13 79.520 4.263 33.363 1.00 0.00 C ATOM 191 O GLU A 13 78.640 4.444 34.180 1.00 0.00 O ATOM 192 CB GLU A 13 81.923 4.365 34.044 1.00 0.00 C ATOM 193 CG GLU A 13 81.649 5.066 35.381 1.00 0.00 C ATOM 194 CD GLU A 13 81.899 4.095 36.537 1.00 0.00 C ATOM 195 OE1 GLU A 13 82.346 2.991 36.276 1.00 0.00 O ATOM 196 OE2 GLU A 13 81.638 4.473 37.667 1.00 0.00 O ATOM 0 H GLU A 13 82.082 2.771 32.162 1.00 0.00 H new ATOM 0 HA GLU A 13 80.529 2.786 34.545 1.00 0.00 H new ATOM 0 HB2 GLU A 13 82.851 3.797 34.105 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.054 5.106 33.255 1.00 0.00 H new ATOM 0 HG2 GLU A 13 82.293 5.940 35.482 1.00 0.00 H new ATOM 0 HG3 GLU A 13 80.620 5.423 35.410 1.00 0.00 H new ATOM 203 N LYS A 14 79.464 4.798 32.179 1.00 0.00 N ATOM 204 CA LYS A 14 78.307 5.652 31.795 1.00 0.00 C ATOM 205 C LYS A 14 76.976 4.883 31.798 1.00 0.00 C ATOM 206 O LYS A 14 75.937 5.468 32.029 1.00 0.00 O ATOM 207 CB LYS A 14 78.546 6.239 30.405 1.00 0.00 C ATOM 208 CG LYS A 14 79.701 7.247 30.461 1.00 0.00 C ATOM 209 CD LYS A 14 80.050 7.718 29.041 1.00 0.00 C ATOM 210 CE LYS A 14 79.016 8.734 28.545 1.00 0.00 C ATOM 211 NZ LYS A 14 79.496 9.337 27.271 1.00 0.00 N ATOM 0 H LYS A 14 80.173 4.681 31.455 1.00 0.00 H new ATOM 0 HA LYS A 14 78.229 6.443 32.541 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.780 5.442 29.699 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.641 6.728 30.046 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.421 8.100 31.079 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.573 6.789 30.927 1.00 0.00 H new ATOM 0 HD2 LYS A 14 81.043 8.168 29.034 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.082 6.863 28.365 1.00 0.00 H new ATOM 0 HE2 LYS A 14 78.054 8.246 28.391 1.00 0.00 H new ATOM 0 HE3 LYS A 14 78.863 9.511 29.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 78.798 10.028 26.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 80.405 9.815 27.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 79.621 8.590 26.559 1.00 0.00 H new ATOM 225 N TYR A 15 76.970 3.599 31.503 1.00 0.00 N ATOM 226 CA TYR A 15 75.658 2.854 31.451 1.00 0.00 C ATOM 227 C TYR A 15 75.772 1.447 32.060 1.00 0.00 C ATOM 228 O TYR A 15 74.803 0.718 32.113 1.00 0.00 O ATOM 229 CB TYR A 15 75.241 2.710 29.984 1.00 0.00 C ATOM 230 CG TYR A 15 75.455 4.016 29.250 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.438 4.975 29.206 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.677 4.258 28.602 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.640 6.177 28.516 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.877 5.457 27.912 1.00 0.00 C ATOM 235 CZ TYR A 15 75.860 6.417 27.869 1.00 0.00 C ATOM 236 OH TYR A 15 76.058 7.599 27.188 1.00 0.00 O ATOM 0 H TYR A 15 77.799 3.041 31.299 1.00 0.00 H new ATOM 0 HA TYR A 15 74.924 3.418 32.027 1.00 0.00 H new ATOM 0 HB2 TYR A 15 75.821 1.918 29.509 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.193 2.418 29.923 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.498 4.789 29.704 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.462 3.518 28.637 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.856 6.919 28.482 1.00 0.00 H new ATOM 0 HE2 TYR A 15 77.816 5.642 27.412 1.00 0.00 H new ATOM 0 HH TYR A 15 75.532 8.311 27.609 1.00 0.00 H new ATOM 246 N HIS A 16 76.942 1.032 32.457 1.00 0.00 N ATOM 247 CA HIS A 16 77.100 -0.353 32.997 1.00 0.00 C ATOM 248 C HIS A 16 76.562 -1.318 31.941 1.00 0.00 C ATOM 249 O HIS A 16 75.838 -2.247 32.239 1.00 0.00 O ATOM 250 CB HIS A 16 76.322 -0.553 34.311 1.00 0.00 C ATOM 251 CG HIS A 16 76.994 0.163 35.461 1.00 0.00 C ATOM 252 ND1 HIS A 16 78.071 -0.357 36.169 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.718 1.360 36.087 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.405 0.479 37.156 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.608 1.552 37.152 1.00 0.00 N ATOM 0 H HIS A 16 77.796 1.589 32.432 1.00 0.00 H new ATOM 0 HA HIS A 16 78.153 -0.534 33.215 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.304 -0.182 34.194 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.249 -1.617 34.535 1.00 0.00 H new ATOM 0 HD2 HIS A 16 75.935 2.046 35.800 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.207 0.311 37.859 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.641 2.346 37.792 1.00 0.00 H new ATOM 263 N SER A 17 76.891 -1.078 30.700 1.00 0.00 N ATOM 264 CA SER A 17 76.383 -1.947 29.605 1.00 0.00 C ATOM 265 C SER A 17 76.926 -3.374 29.749 1.00 0.00 C ATOM 266 O SER A 17 77.946 -3.603 30.368 1.00 0.00 O ATOM 267 CB SER A 17 76.817 -1.361 28.261 1.00 0.00 C ATOM 268 OG SER A 17 78.233 -1.413 28.156 1.00 0.00 O ATOM 0 H SER A 17 77.494 -0.312 30.398 1.00 0.00 H new ATOM 0 HA SER A 17 75.295 -1.988 29.659 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.360 -1.920 27.444 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.473 -0.330 28.173 1.00 0.00 H new ATOM 0 HG SER A 17 78.511 -1.039 27.294 1.00 0.00 H new ATOM 274 N ASN A 18 76.246 -4.335 29.174 1.00 0.00 N ATOM 275 CA ASN A 18 76.713 -5.750 29.263 1.00 0.00 C ATOM 276 C ASN A 18 77.936 -5.938 28.359 1.00 0.00 C ATOM 277 O ASN A 18 78.172 -5.166 27.453 1.00 0.00 O ATOM 278 CB ASN A 18 75.591 -6.690 28.812 1.00 0.00 C ATOM 279 CG ASN A 18 74.437 -6.627 29.818 1.00 0.00 C ATOM 280 OD1 ASN A 18 74.703 -6.556 31.094 1.00 0.00 O flip ATOM 281 ND2 ASN A 18 73.283 -6.643 29.439 1.00 0.00 N flip ATOM 0 H ASN A 18 75.385 -4.198 28.645 1.00 0.00 H new ATOM 0 HA ASN A 18 76.983 -5.981 30.293 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.239 -6.405 27.821 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.966 -7.711 28.736 1.00 0.00 H new ATOM 0 HD21 ASN A 18 73.074 -6.698 28.442 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.523 -6.601 30.118 1.00 0.00 H new ATOM 288 N TRP A 19 78.714 -6.959 28.597 1.00 0.00 N ATOM 289 CA TRP A 19 79.920 -7.191 27.752 1.00 0.00 C ATOM 290 C TRP A 19 79.508 -7.320 26.281 1.00 0.00 C ATOM 291 O TRP A 19 80.266 -6.997 25.387 1.00 0.00 O ATOM 292 CB TRP A 19 80.651 -8.456 28.225 1.00 0.00 C ATOM 293 CG TRP A 19 79.885 -9.681 27.844 1.00 0.00 C ATOM 294 CD1 TRP A 19 79.058 -10.367 28.665 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.872 -10.380 26.567 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.541 -11.449 27.971 1.00 0.00 N ATOM 297 CE2 TRP A 19 79.014 -11.498 26.674 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.521 -10.156 25.340 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.801 -12.361 25.596 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.310 -11.020 24.255 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.456 -12.123 24.383 1.00 0.00 C ATOM 0 H TRP A 19 78.567 -7.642 29.340 1.00 0.00 H new ATOM 0 HA TRP A 19 80.598 -6.343 27.847 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.648 -8.492 27.785 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.781 -8.424 29.307 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.837 -10.114 29.691 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.891 -12.127 28.369 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.187 -9.313 25.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.136 -13.206 25.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.809 -10.834 23.315 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.303 -12.789 23.546 1.00 0.00 H new ATOM 312 N ARG A 20 78.322 -7.794 26.018 1.00 0.00 N ATOM 313 CA ARG A 20 77.886 -7.937 24.598 1.00 0.00 C ATOM 314 C ARG A 20 77.805 -6.561 23.940 1.00 0.00 C ATOM 315 O ARG A 20 78.170 -6.387 22.796 1.00 0.00 O ATOM 316 CB ARG A 20 76.512 -8.611 24.536 1.00 0.00 C ATOM 317 CG ARG A 20 76.633 -10.062 24.997 1.00 0.00 C ATOM 318 CD ARG A 20 75.289 -10.770 24.821 1.00 0.00 C ATOM 319 NE ARG A 20 75.365 -12.138 25.409 1.00 0.00 N ATOM 320 CZ ARG A 20 74.268 -12.802 25.632 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.120 -12.258 25.343 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.317 -14.003 26.144 1.00 0.00 N ATOM 0 H ARG A 20 77.640 -8.087 26.717 1.00 0.00 H new ATOM 0 HA ARG A 20 78.613 -8.552 24.067 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.804 -8.076 25.169 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.123 -8.573 23.519 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.403 -10.574 24.421 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.940 -10.098 26.042 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.498 -10.198 25.306 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.034 -10.831 23.763 1.00 0.00 H new ATOM 0 HE ARG A 20 76.270 -12.551 25.635 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.086 -11.319 24.945 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.255 -12.771 25.514 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.218 -14.424 26.371 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.454 -14.519 26.317 1.00 0.00 H new ATOM 336 N ALA A 21 77.322 -5.583 24.648 1.00 0.00 N ATOM 337 CA ALA A 21 77.215 -4.224 24.053 1.00 0.00 C ATOM 338 C ALA A 21 78.615 -3.656 23.840 1.00 0.00 C ATOM 339 O ALA A 21 78.945 -3.166 22.779 1.00 0.00 O ATOM 340 CB ALA A 21 76.426 -3.325 25.009 1.00 0.00 C ATOM 0 H ALA A 21 76.997 -5.664 25.611 1.00 0.00 H new ATOM 0 HA ALA A 21 76.701 -4.274 23.093 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.342 -2.326 24.582 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.430 -3.740 25.160 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.944 -3.268 25.966 1.00 0.00 H new ATOM 346 N MET A 22 79.441 -3.709 24.845 1.00 0.00 N ATOM 347 CA MET A 22 80.814 -3.166 24.691 1.00 0.00 C ATOM 348 C MET A 22 81.537 -3.917 23.575 1.00 0.00 C ATOM 349 O MET A 22 82.239 -3.331 22.776 1.00 0.00 O ATOM 350 CB MET A 22 81.580 -3.328 26.000 1.00 0.00 C ATOM 351 CG MET A 22 81.005 -2.380 27.051 1.00 0.00 C ATOM 352 SD MET A 22 82.059 -2.410 28.523 1.00 0.00 S ATOM 353 CE MET A 22 81.668 -4.097 29.049 1.00 0.00 C ATOM 0 H MET A 22 79.225 -4.103 25.761 1.00 0.00 H new ATOM 0 HA MET A 22 80.758 -2.107 24.437 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.511 -4.358 26.348 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.637 -3.115 25.843 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.947 -1.368 26.652 1.00 0.00 H new ATOM 0 HG3 MET A 22 79.989 -2.679 27.310 1.00 0.00 H new ATOM 0 HE1 MET A 22 81.899 -4.211 30.108 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.608 -4.293 28.886 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.261 -4.805 28.470 1.00 0.00 H new ATOM 363 N ALA A 23 81.371 -5.207 23.508 1.00 0.00 N ATOM 364 CA ALA A 23 82.057 -5.979 22.433 1.00 0.00 C ATOM 365 C ALA A 23 81.662 -5.417 21.065 1.00 0.00 C ATOM 366 O ALA A 23 82.495 -5.199 20.210 1.00 0.00 O ATOM 367 CB ALA A 23 81.651 -7.453 22.521 1.00 0.00 C ATOM 0 H ALA A 23 80.795 -5.758 24.145 1.00 0.00 H new ATOM 0 HA ALA A 23 83.136 -5.894 22.559 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.153 -8.016 21.735 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.939 -7.852 23.494 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.572 -7.541 22.398 1.00 0.00 H new ATOM 373 N SER A 24 80.396 -5.189 20.848 1.00 0.00 N ATOM 374 CA SER A 24 79.946 -4.647 19.530 1.00 0.00 C ATOM 375 C SER A 24 80.399 -3.194 19.363 1.00 0.00 C ATOM 376 O SER A 24 80.740 -2.762 18.281 1.00 0.00 O ATOM 377 CB SER A 24 78.423 -4.715 19.443 1.00 0.00 C ATOM 378 OG SER A 24 78.024 -4.556 18.088 1.00 0.00 O ATOM 0 H SER A 24 79.651 -5.354 21.525 1.00 0.00 H new ATOM 0 HA SER A 24 80.390 -5.248 18.736 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.067 -5.670 19.830 1.00 0.00 H new ATOM 0 HB3 SER A 24 77.977 -3.935 20.060 1.00 0.00 H new ATOM 0 HG SER A 24 77.047 -4.601 18.027 1.00 0.00 H new ATOM 384 N ASP A 25 80.378 -2.432 20.419 1.00 0.00 N ATOM 385 CA ASP A 25 80.782 -1.000 20.312 1.00 0.00 C ATOM 386 C ASP A 25 82.230 -0.888 19.831 1.00 0.00 C ATOM 387 O ASP A 25 82.562 -0.040 19.026 1.00 0.00 O ATOM 388 CB ASP A 25 80.657 -0.349 21.691 1.00 0.00 C ATOM 389 CG ASP A 25 79.184 -0.298 22.097 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.344 -0.467 21.226 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.921 -0.093 23.270 1.00 0.00 O ATOM 0 H ASP A 25 80.099 -2.736 21.352 1.00 0.00 H new ATOM 0 HA ASP A 25 80.134 -0.497 19.594 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.229 -0.916 22.426 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.075 0.658 21.669 1.00 0.00 H new ATOM 396 N PHE A 26 83.093 -1.746 20.314 1.00 0.00 N ATOM 397 CA PHE A 26 84.533 -1.712 19.899 1.00 0.00 C ATOM 398 C PHE A 26 84.857 -2.945 19.054 1.00 0.00 C ATOM 399 O PHE A 26 85.979 -3.133 18.625 1.00 0.00 O ATOM 400 CB PHE A 26 85.405 -1.698 21.152 1.00 0.00 C ATOM 401 CG PHE A 26 85.096 -0.448 21.939 1.00 0.00 C ATOM 402 CD1 PHE A 26 84.068 -0.461 22.888 1.00 0.00 C ATOM 403 CD2 PHE A 26 85.827 0.726 21.714 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.767 0.700 23.610 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.529 1.886 22.439 1.00 0.00 C ATOM 406 CZ PHE A 26 84.498 1.873 23.385 1.00 0.00 C ATOM 0 H PHE A 26 82.861 -2.477 20.986 1.00 0.00 H new ATOM 0 HA PHE A 26 84.727 -0.819 19.305 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.212 -2.584 21.757 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.460 -1.722 20.879 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.507 -1.367 23.064 1.00 0.00 H new ATOM 0 HD2 PHE A 26 86.620 0.736 20.981 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.971 0.691 24.340 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.094 2.790 22.268 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.266 2.769 23.942 1.00 0.00 H new ATOM 416 N ASN A 27 83.886 -3.783 18.818 1.00 0.00 N ATOM 417 CA ASN A 27 84.129 -5.003 18.000 1.00 0.00 C ATOM 418 C ASN A 27 85.288 -5.814 18.599 1.00 0.00 C ATOM 419 O ASN A 27 86.185 -6.242 17.897 1.00 0.00 O ATOM 420 CB ASN A 27 84.465 -4.588 16.562 1.00 0.00 C ATOM 421 CG ASN A 27 83.295 -3.790 15.971 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.070 -4.087 16.318 1.00 0.00 O flip ATOM 423 ND2 ASN A 27 83.496 -2.882 15.190 1.00 0.00 N flip ATOM 0 H ASN A 27 82.931 -3.674 19.158 1.00 0.00 H new ATOM 0 HA ASN A 27 83.233 -5.624 17.998 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.373 -3.985 16.549 1.00 0.00 H new ATOM 0 HB3 ASN A 27 84.660 -5.471 15.954 1.00 0.00 H new ATOM 0 HD21 ASN A 27 84.450 -2.647 14.916 1.00 0.00 H new ATOM 0 HD22 ASN A 27 82.711 -2.355 14.808 1.00 0.00 H new ATOM 430 N LEU A 28 85.274 -6.032 19.895 1.00 0.00 N ATOM 431 CA LEU A 28 86.366 -6.823 20.559 1.00 0.00 C ATOM 432 C LEU A 28 85.781 -8.139 21.073 1.00 0.00 C ATOM 433 O LEU A 28 84.612 -8.210 21.396 1.00 0.00 O ATOM 434 CB LEU A 28 86.917 -6.028 21.750 1.00 0.00 C ATOM 435 CG LEU A 28 87.730 -4.821 21.247 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.897 -3.797 22.374 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.124 -5.272 20.784 1.00 0.00 C ATOM 0 H LEU A 28 84.548 -5.694 20.527 1.00 0.00 H new ATOM 0 HA LEU A 28 87.165 -7.019 19.844 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.096 -5.687 22.381 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.547 -6.670 22.366 1.00 0.00 H new ATOM 0 HG LEU A 28 87.194 -4.372 20.411 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.473 -2.946 22.010 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.916 -3.456 22.704 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.421 -4.259 23.211 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.687 -4.408 20.431 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.653 -5.734 21.618 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.022 -5.994 19.974 1.00 0.00 H new ATOM 449 N PRO A 29 86.574 -9.181 21.162 1.00 0.00 N ATOM 450 CA PRO A 29 86.079 -10.492 21.660 1.00 0.00 C ATOM 451 C PRO A 29 85.514 -10.374 23.078 1.00 0.00 C ATOM 452 O PRO A 29 85.785 -9.422 23.783 1.00 0.00 O ATOM 453 CB PRO A 29 87.322 -11.406 21.640 1.00 0.00 C ATOM 454 CG PRO A 29 88.495 -10.479 21.565 1.00 0.00 C ATOM 455 CD PRO A 29 88.004 -9.246 20.810 1.00 0.00 C ATOM 0 HA PRO A 29 85.265 -10.880 21.048 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.368 -12.026 22.535 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.299 -12.081 20.785 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.847 -10.213 22.562 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.331 -10.948 21.046 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.536 -8.346 21.120 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.149 -9.348 19.735 1.00 0.00 H new ATOM 463 N PRO A 30 84.737 -11.336 23.493 1.00 0.00 N ATOM 464 CA PRO A 30 84.135 -11.344 24.853 1.00 0.00 C ATOM 465 C PRO A 30 85.209 -11.253 25.940 1.00 0.00 C ATOM 466 O PRO A 30 84.974 -10.747 27.012 1.00 0.00 O ATOM 467 CB PRO A 30 83.390 -12.695 24.928 1.00 0.00 C ATOM 468 CG PRO A 30 83.920 -13.515 23.789 1.00 0.00 C ATOM 469 CD PRO A 30 84.347 -12.519 22.716 1.00 0.00 C ATOM 0 HA PRO A 30 83.477 -10.490 25.017 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.570 -13.189 25.883 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.313 -12.553 24.840 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.762 -14.129 24.109 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.157 -14.194 23.409 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.176 -12.900 22.120 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.533 -12.297 22.026 1.00 0.00 H new ATOM 477 N VAL A 31 86.378 -11.754 25.676 1.00 0.00 N ATOM 478 CA VAL A 31 87.451 -11.712 26.707 1.00 0.00 C ATOM 479 C VAL A 31 87.704 -10.273 27.123 1.00 0.00 C ATOM 480 O VAL A 31 87.748 -9.956 28.295 1.00 0.00 O ATOM 481 CB VAL A 31 88.729 -12.313 26.106 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.910 -12.210 27.085 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.473 -13.785 25.784 1.00 0.00 C ATOM 0 H VAL A 31 86.640 -12.191 24.792 1.00 0.00 H new ATOM 0 HA VAL A 31 87.149 -12.283 27.585 1.00 0.00 H new ATOM 0 HB VAL A 31 88.985 -11.757 25.204 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.800 -12.645 26.629 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.098 -11.162 27.320 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.671 -12.750 28.001 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.373 -14.226 25.356 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.208 -14.317 26.698 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.655 -13.864 25.068 1.00 0.00 H new ATOM 493 N VAL A 32 87.875 -9.399 26.187 1.00 0.00 N ATOM 494 CA VAL A 32 88.132 -7.990 26.561 1.00 0.00 C ATOM 495 C VAL A 32 86.869 -7.408 27.184 1.00 0.00 C ATOM 496 O VAL A 32 86.907 -6.782 28.223 1.00 0.00 O ATOM 497 CB VAL A 32 88.523 -7.188 25.318 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.796 -5.729 25.711 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.780 -7.801 24.702 1.00 0.00 C ATOM 0 H VAL A 32 87.849 -9.593 25.186 1.00 0.00 H new ATOM 0 HA VAL A 32 88.950 -7.940 27.280 1.00 0.00 H new ATOM 0 HB VAL A 32 87.710 -7.215 24.592 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.074 -5.159 24.824 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.898 -5.297 26.153 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.610 -5.693 26.435 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.064 -7.234 23.815 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.593 -7.771 25.428 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.581 -8.836 24.423 1.00 0.00 H new ATOM 509 N ALA A 33 85.749 -7.609 26.554 1.00 0.00 N ATOM 510 CA ALA A 33 84.477 -7.069 27.107 1.00 0.00 C ATOM 511 C ALA A 33 84.138 -7.754 28.441 1.00 0.00 C ATOM 512 O ALA A 33 83.756 -7.107 29.396 1.00 0.00 O ATOM 513 CB ALA A 33 83.358 -7.311 26.097 1.00 0.00 C ATOM 0 H ALA A 33 85.658 -8.124 25.679 1.00 0.00 H new ATOM 0 HA ALA A 33 84.586 -6.000 27.290 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.421 -6.919 26.492 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.597 -6.806 25.161 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.256 -8.381 25.916 1.00 0.00 H new ATOM 519 N LYS A 34 84.269 -9.054 28.521 1.00 0.00 N ATOM 520 CA LYS A 34 83.949 -9.751 29.801 1.00 0.00 C ATOM 521 C LYS A 34 84.893 -9.268 30.898 1.00 0.00 C ATOM 522 O LYS A 34 84.523 -9.158 32.051 1.00 0.00 O ATOM 523 CB LYS A 34 84.112 -11.265 29.629 1.00 0.00 C ATOM 524 CG LYS A 34 83.048 -11.818 28.663 1.00 0.00 C ATOM 525 CD LYS A 34 81.741 -12.131 29.415 1.00 0.00 C ATOM 526 CE LYS A 34 81.808 -13.529 30.040 1.00 0.00 C ATOM 527 NZ LYS A 34 80.612 -13.743 30.903 1.00 0.00 N ATOM 0 H LYS A 34 84.581 -9.658 27.761 1.00 0.00 H new ATOM 0 HA LYS A 34 82.918 -9.527 30.076 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.108 -11.488 29.247 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.024 -11.758 30.597 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.854 -11.092 27.873 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.422 -12.721 28.181 1.00 0.00 H new ATOM 0 HD2 LYS A 34 81.573 -11.385 30.192 1.00 0.00 H new ATOM 0 HD3 LYS A 34 80.896 -12.072 28.729 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.846 -14.288 29.258 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.719 -13.633 30.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.656 -14.691 31.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.595 -13.026 31.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 79.750 -13.661 30.328 1.00 0.00 H new ATOM 541 N GLU A 35 86.121 -8.997 30.552 1.00 0.00 N ATOM 542 CA GLU A 35 87.096 -8.546 31.577 1.00 0.00 C ATOM 543 C GLU A 35 86.634 -7.227 32.202 1.00 0.00 C ATOM 544 O GLU A 35 86.752 -7.026 33.393 1.00 0.00 O ATOM 545 CB GLU A 35 88.472 -8.374 30.927 1.00 0.00 C ATOM 546 CG GLU A 35 89.527 -8.118 32.010 1.00 0.00 C ATOM 547 CD GLU A 35 89.442 -6.665 32.488 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.900 -5.848 31.763 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.922 -6.392 33.574 1.00 0.00 O ATOM 0 H GLU A 35 86.489 -9.069 29.603 1.00 0.00 H new ATOM 0 HA GLU A 35 87.163 -9.295 32.366 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.730 -9.267 30.358 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.451 -7.542 30.223 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.371 -8.796 32.849 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.522 -8.323 31.616 1.00 0.00 H new ATOM 556 N ILE A 36 86.104 -6.323 31.420 1.00 0.00 N ATOM 557 CA ILE A 36 85.635 -5.035 32.006 1.00 0.00 C ATOM 558 C ILE A 36 84.552 -5.335 33.045 1.00 0.00 C ATOM 559 O ILE A 36 84.498 -4.728 34.095 1.00 0.00 O ATOM 560 CB ILE A 36 85.070 -4.130 30.902 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.172 -3.859 29.870 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.593 -2.796 31.500 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.699 -2.822 28.847 1.00 0.00 C ATOM 0 H ILE A 36 85.977 -6.420 30.413 1.00 0.00 H new ATOM 0 HA ILE A 36 86.469 -4.519 32.481 1.00 0.00 H new ATOM 0 HB ILE A 36 84.223 -4.626 30.427 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.070 -3.500 30.373 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.439 -4.785 29.362 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.195 -2.163 30.707 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.814 -2.986 32.238 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.432 -2.292 31.980 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.491 -2.640 28.121 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.814 -3.196 28.332 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.455 -1.891 29.359 1.00 0.00 H new ATOM 575 N VAL A 37 83.685 -6.268 32.756 1.00 0.00 N ATOM 576 CA VAL A 37 82.602 -6.611 33.725 1.00 0.00 C ATOM 577 C VAL A 37 83.229 -7.152 35.011 1.00 0.00 C ATOM 578 O VAL A 37 82.787 -6.860 36.104 1.00 0.00 O ATOM 579 CB VAL A 37 81.669 -7.665 33.118 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.570 -8.020 34.123 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.024 -7.109 31.845 1.00 0.00 C ATOM 0 H VAL A 37 83.679 -6.808 31.891 1.00 0.00 H new ATOM 0 HA VAL A 37 82.021 -5.716 33.950 1.00 0.00 H new ATOM 0 HB VAL A 37 82.247 -8.557 32.877 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.908 -8.769 33.689 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.022 -8.418 35.031 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.996 -7.126 34.365 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.361 -7.860 31.415 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.450 -6.215 32.089 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.801 -6.856 31.124 1.00 0.00 H new ATOM 591 N ALA A 38 84.256 -7.939 34.884 1.00 0.00 N ATOM 592 CA ALA A 38 84.921 -8.505 36.092 1.00 0.00 C ATOM 593 C ALA A 38 85.451 -7.379 36.981 1.00 0.00 C ATOM 594 O ALA A 38 85.489 -7.496 38.190 1.00 0.00 O ATOM 595 CB ALA A 38 86.088 -9.386 35.654 1.00 0.00 C ATOM 0 H ALA A 38 84.667 -8.218 33.993 1.00 0.00 H new ATOM 0 HA ALA A 38 84.196 -9.093 36.655 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.579 -9.803 36.533 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.717 -10.196 35.027 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.803 -8.788 35.089 1.00 0.00 H new ATOM 601 N SER A 39 85.880 -6.297 36.391 1.00 0.00 N ATOM 602 CA SER A 39 86.434 -5.174 37.199 1.00 0.00 C ATOM 603 C SER A 39 85.297 -4.374 37.840 1.00 0.00 C ATOM 604 O SER A 39 85.464 -3.769 38.881 1.00 0.00 O ATOM 605 CB SER A 39 87.253 -4.259 36.288 1.00 0.00 C ATOM 606 OG SER A 39 88.315 -5.005 35.708 1.00 0.00 O ATOM 0 H SER A 39 85.871 -6.142 35.383 1.00 0.00 H new ATOM 0 HA SER A 39 87.069 -5.577 37.988 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.618 -3.841 35.507 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.651 -3.420 36.859 1.00 0.00 H new ATOM 0 HG SER A 39 88.842 -4.423 35.122 1.00 0.00 H new ATOM 612 N CYS A 40 84.145 -4.365 37.232 1.00 0.00 N ATOM 613 CA CYS A 40 83.005 -3.603 37.814 1.00 0.00 C ATOM 614 C CYS A 40 82.374 -4.423 38.943 1.00 0.00 C ATOM 615 O CYS A 40 81.668 -5.382 38.705 1.00 0.00 O ATOM 616 CB CYS A 40 81.962 -3.349 36.730 1.00 0.00 C ATOM 617 SG CYS A 40 80.536 -2.512 37.461 1.00 0.00 S ATOM 0 H CYS A 40 83.943 -4.851 36.358 1.00 0.00 H new ATOM 0 HA CYS A 40 83.362 -2.651 38.207 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.389 -2.738 35.934 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.653 -4.291 36.278 1.00 0.00 H new ATOM 0 HG CYS A 40 79.449 -2.912 36.871 1.00 0.00 H new ATOM 622 N ASP A 41 82.628 -4.056 40.167 1.00 0.00 N ATOM 623 CA ASP A 41 82.057 -4.814 41.317 1.00 0.00 C ATOM 624 C ASP A 41 80.523 -4.799 41.265 1.00 0.00 C ATOM 625 O ASP A 41 79.873 -5.728 41.703 1.00 0.00 O ATOM 626 CB ASP A 41 82.528 -4.173 42.623 1.00 0.00 C ATOM 627 CG ASP A 41 84.049 -4.285 42.721 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.617 -5.043 41.951 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.620 -3.612 43.558 1.00 0.00 O ATOM 0 H ASP A 41 83.210 -3.259 40.423 1.00 0.00 H new ATOM 0 HA ASP A 41 82.397 -5.848 41.263 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.226 -3.126 42.657 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.060 -4.668 43.474 1.00 0.00 H new ATOM 634 N LYS A 42 79.936 -3.753 40.749 1.00 0.00 N ATOM 635 CA LYS A 42 78.445 -3.695 40.700 1.00 0.00 C ATOM 636 C LYS A 42 77.897 -4.716 39.697 1.00 0.00 C ATOM 637 O LYS A 42 76.930 -5.401 39.966 1.00 0.00 O ATOM 638 CB LYS A 42 78.004 -2.287 40.279 1.00 0.00 C ATOM 639 CG LYS A 42 78.488 -1.266 41.313 1.00 0.00 C ATOM 640 CD LYS A 42 77.881 0.102 40.997 1.00 0.00 C ATOM 641 CE LYS A 42 78.512 1.164 41.900 1.00 0.00 C ATOM 642 NZ LYS A 42 78.158 0.883 43.321 1.00 0.00 N ATOM 0 H LYS A 42 80.419 -2.942 40.362 1.00 0.00 H new ATOM 0 HA LYS A 42 78.054 -3.930 41.690 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.411 -2.046 39.297 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.918 -2.246 40.193 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.199 -1.582 42.315 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.576 -1.206 41.299 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.050 0.353 39.950 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.802 0.076 41.148 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.595 1.164 41.777 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.159 2.155 41.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.409 1.703 43.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 77.136 0.703 43.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 78.682 0.047 43.651 1.00 0.00 H new ATOM 656 N CYS A 43 78.498 -4.828 38.545 1.00 0.00 N ATOM 657 CA CYS A 43 77.998 -5.808 37.534 1.00 0.00 C ATOM 658 C CYS A 43 78.581 -7.201 37.810 1.00 0.00 C ATOM 659 O CYS A 43 77.961 -8.209 37.533 1.00 0.00 O ATOM 660 CB CYS A 43 78.410 -5.350 36.133 1.00 0.00 C ATOM 661 SG CYS A 43 77.514 -3.832 35.694 1.00 0.00 S ATOM 0 H CYS A 43 79.313 -4.285 38.258 1.00 0.00 H new ATOM 0 HA CYS A 43 76.911 -5.861 37.599 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.485 -5.171 36.100 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.195 -6.133 35.406 1.00 0.00 H new ATOM 0 HG CYS A 43 77.705 -3.564 34.436 1.00 0.00 H new ATOM 666 N GLN A 44 79.782 -7.267 38.324 1.00 0.00 N ATOM 667 CA GLN A 44 80.414 -8.597 38.585 1.00 0.00 C ATOM 668 C GLN A 44 79.700 -9.332 39.724 1.00 0.00 C ATOM 669 O GLN A 44 79.312 -10.476 39.586 1.00 0.00 O ATOM 670 CB GLN A 44 81.874 -8.374 38.984 1.00 0.00 C ATOM 671 CG GLN A 44 82.606 -9.717 39.062 1.00 0.00 C ATOM 672 CD GLN A 44 84.006 -9.494 39.635 1.00 0.00 C ATOM 673 OE1 GLN A 44 85.052 -9.797 38.915 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.150 -9.033 40.750 1.00 0.00 N ATOM 0 H GLN A 44 80.352 -6.459 38.574 1.00 0.00 H new ATOM 0 HA GLN A 44 80.342 -9.202 37.681 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.363 -7.725 38.257 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.923 -7.867 39.948 1.00 0.00 H new ATOM 0 HG2 GLN A 44 82.049 -10.412 39.690 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.673 -10.166 38.071 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.333 -8.796 41.313 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.088 -8.883 41.123 1.00 0.00 H new ATOM 844 N PHE B 1 93.697 -14.198 21.626 1.00 0.00 N ATOM 845 CA PHE B 1 92.786 -14.062 22.797 1.00 0.00 C ATOM 846 C PHE B 1 92.259 -15.441 23.212 1.00 0.00 C ATOM 847 O PHE B 1 92.541 -15.928 24.289 1.00 0.00 O ATOM 848 CB PHE B 1 91.597 -13.174 22.418 1.00 0.00 C ATOM 849 CG PHE B 1 92.041 -11.735 22.307 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.593 -11.259 21.112 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.886 -10.872 23.399 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.989 -9.919 21.008 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.286 -9.534 23.295 1.00 0.00 C ATOM 854 CZ PHE B 1 92.836 -9.059 22.101 1.00 0.00 C ATOM 0 H1 PHE B 1 93.754 -13.289 21.123 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.645 -14.473 21.954 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.328 -14.927 20.982 1.00 0.00 H new ATOM 0 HA PHE B 1 93.338 -13.616 23.625 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.172 -13.506 21.471 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.812 -13.264 23.169 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.714 -11.925 20.270 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.458 -11.238 24.321 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.412 -9.550 20.085 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.169 -8.869 24.138 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.143 -8.027 22.022 1.00 0.00 H new ATOM 866 N LEU B 2 91.466 -16.050 22.377 1.00 0.00 N ATOM 867 CA LEU B 2 90.878 -17.374 22.724 1.00 0.00 C ATOM 868 C LEU B 2 91.924 -18.496 22.633 1.00 0.00 C ATOM 869 O LEU B 2 91.944 -19.394 23.451 1.00 0.00 O ATOM 870 CB LEU B 2 89.727 -17.667 21.754 1.00 0.00 C ATOM 871 CG LEU B 2 88.809 -16.439 21.634 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.561 -16.811 20.832 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.385 -15.960 23.024 1.00 0.00 C ATOM 0 H LEU B 2 91.198 -15.686 21.463 1.00 0.00 H new ATOM 0 HA LEU B 2 90.517 -17.338 23.752 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.125 -17.930 20.774 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.155 -18.525 22.106 1.00 0.00 H new ATOM 0 HG LEU B 2 89.352 -15.641 21.128 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.910 -15.941 20.747 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.854 -17.144 19.836 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.028 -17.614 21.340 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.735 -15.090 22.927 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.848 -16.759 23.536 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.269 -15.690 23.601 1.00 0.00 H new ATOM 885 N ASP B 3 92.778 -18.477 21.644 1.00 0.00 N ATOM 886 CA ASP B 3 93.788 -19.573 21.521 1.00 0.00 C ATOM 887 C ASP B 3 94.774 -19.533 22.691 1.00 0.00 C ATOM 888 O ASP B 3 95.136 -20.555 23.248 1.00 0.00 O ATOM 889 CB ASP B 3 94.561 -19.411 20.210 1.00 0.00 C ATOM 890 CG ASP B 3 93.634 -19.718 19.036 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.554 -20.237 19.282 1.00 0.00 O ATOM 892 OD2 ASP B 3 94.013 -19.427 17.914 1.00 0.00 O ATOM 0 H ASP B 3 92.822 -17.758 20.922 1.00 0.00 H new ATOM 0 HA ASP B 3 93.264 -20.529 21.532 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.949 -18.396 20.126 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.420 -20.082 20.195 1.00 0.00 H new ATOM 897 N GLY B 4 95.213 -18.369 23.068 1.00 0.00 N ATOM 898 CA GLY B 4 96.180 -18.273 24.196 1.00 0.00 C ATOM 899 C GLY B 4 95.480 -18.631 25.505 1.00 0.00 C ATOM 900 O GLY B 4 95.978 -19.405 26.296 1.00 0.00 O ATOM 0 H GLY B 4 94.946 -17.480 22.646 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.020 -18.946 24.026 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.587 -17.263 24.254 1.00 0.00 H new ATOM 904 N ILE B 5 94.332 -18.066 25.740 1.00 0.00 N ATOM 905 CA ILE B 5 93.598 -18.362 26.998 1.00 0.00 C ATOM 906 C ILE B 5 93.284 -19.848 27.088 1.00 0.00 C ATOM 907 O ILE B 5 93.346 -20.435 28.144 1.00 0.00 O ATOM 908 CB ILE B 5 92.307 -17.548 27.037 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.672 -16.070 27.204 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.438 -18.002 28.218 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.456 -15.171 26.946 1.00 0.00 C ATOM 0 H ILE B 5 93.868 -17.409 25.112 1.00 0.00 H new ATOM 0 HA ILE B 5 94.222 -18.089 27.849 1.00 0.00 H new ATOM 0 HB ILE B 5 91.747 -17.695 26.114 1.00 0.00 H new ATOM 0 HG12 ILE B 5 93.050 -15.897 28.212 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.474 -15.810 26.514 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.519 -17.417 28.239 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.193 -19.058 28.105 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.984 -17.854 29.150 1.00 0.00 H new ATOM 0 HD11 ILE B 5 91.742 -14.127 27.071 1.00 0.00 H new ATOM 0 HD12 ILE B 5 91.096 -15.329 25.929 1.00 0.00 H new ATOM 0 HD13 ILE B 5 90.665 -15.417 27.654 1.00 0.00 H new ATOM 923 N ASP B 6 92.936 -20.468 26.004 1.00 0.00 N ATOM 924 CA ASP B 6 92.613 -21.913 26.077 1.00 0.00 C ATOM 925 C ASP B 6 93.797 -22.661 26.694 1.00 0.00 C ATOM 926 O ASP B 6 93.632 -23.463 27.590 1.00 0.00 O ATOM 927 CB ASP B 6 92.345 -22.440 24.668 1.00 0.00 C ATOM 928 CG ASP B 6 91.075 -21.788 24.119 1.00 0.00 C ATOM 929 OD1 ASP B 6 90.330 -21.227 24.907 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.867 -21.863 22.919 1.00 0.00 O ATOM 0 H ASP B 6 92.861 -20.044 25.079 1.00 0.00 H new ATOM 0 HA ASP B 6 91.727 -22.066 26.694 1.00 0.00 H new ATOM 0 HB2 ASP B 6 93.191 -22.220 24.018 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.232 -23.524 24.688 1.00 0.00 H new ATOM 935 N LYS B 7 94.994 -22.386 26.251 1.00 0.00 N ATOM 936 CA LYS B 7 96.168 -23.084 26.854 1.00 0.00 C ATOM 937 C LYS B 7 96.355 -22.591 28.287 1.00 0.00 C ATOM 938 O LYS B 7 96.611 -23.360 29.192 1.00 0.00 O ATOM 939 CB LYS B 7 97.439 -22.775 26.051 1.00 0.00 C ATOM 940 CG LYS B 7 97.277 -23.263 24.610 1.00 0.00 C ATOM 941 CD LYS B 7 98.572 -23.003 23.836 1.00 0.00 C ATOM 942 CE LYS B 7 98.391 -23.444 22.382 1.00 0.00 C ATOM 943 NZ LYS B 7 97.372 -22.578 21.723 1.00 0.00 N ATOM 0 H LYS B 7 95.209 -21.719 25.510 1.00 0.00 H new ATOM 0 HA LYS B 7 95.990 -24.159 26.842 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.634 -21.703 26.061 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.299 -23.260 26.514 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.041 -24.327 24.599 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.445 -22.747 24.131 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.827 -21.944 23.878 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.398 -23.548 24.293 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.340 -23.377 21.850 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.077 -24.487 22.344 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 97.494 -22.622 20.691 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 96.419 -22.911 21.973 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.491 -21.596 22.044 1.00 0.00 H new ATOM 957 N ALA B 8 96.220 -21.313 28.500 1.00 0.00 N ATOM 958 CA ALA B 8 96.380 -20.763 29.874 1.00 0.00 C ATOM 959 C ALA B 8 95.242 -21.251 30.764 1.00 0.00 C ATOM 960 O ALA B 8 95.423 -21.522 31.934 1.00 0.00 O ATOM 961 CB ALA B 8 96.368 -19.233 29.820 1.00 0.00 C ATOM 0 H ALA B 8 96.005 -20.623 27.780 1.00 0.00 H new ATOM 0 HA ALA B 8 97.329 -21.104 30.287 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.485 -18.832 30.827 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.189 -18.885 29.193 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.421 -18.891 29.401 1.00 0.00 H new ATOM 967 N GLN B 9 94.065 -21.355 30.217 1.00 0.00 N ATOM 968 CA GLN B 9 92.911 -21.808 31.027 1.00 0.00 C ATOM 969 C GLN B 9 93.223 -23.181 31.618 1.00 0.00 C ATOM 970 O GLN B 9 92.921 -23.457 32.764 1.00 0.00 O ATOM 971 CB GLN B 9 91.673 -21.893 30.133 1.00 0.00 C ATOM 972 CG GLN B 9 90.433 -22.113 30.996 1.00 0.00 C ATOM 973 CD GLN B 9 89.196 -22.186 30.102 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.278 -22.591 28.961 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.042 -21.804 30.577 1.00 0.00 N ATOM 0 H GLN B 9 93.855 -21.145 29.241 1.00 0.00 H new ATOM 0 HA GLN B 9 92.722 -21.103 31.836 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.567 -20.976 29.553 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.782 -22.710 29.420 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.535 -23.034 31.570 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.328 -21.300 31.714 1.00 0.00 H new ATOM 0 HE21 GLN B 9 87.973 -21.464 31.536 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.209 -21.846 29.989 1.00 0.00 H new ATOM 984 N GLU B 10 93.838 -24.041 30.854 1.00 0.00 N ATOM 985 CA GLU B 10 94.179 -25.385 31.389 1.00 0.00 C ATOM 986 C GLU B 10 95.121 -25.218 32.580 1.00 0.00 C ATOM 987 O GLU B 10 94.967 -25.852 33.602 1.00 0.00 O ATOM 988 CB GLU B 10 94.881 -26.193 30.299 1.00 0.00 C ATOM 989 CG GLU B 10 94.952 -27.659 30.718 1.00 0.00 C ATOM 990 CD GLU B 10 95.829 -28.424 29.727 1.00 0.00 C ATOM 991 OE1 GLU B 10 96.316 -27.803 28.797 1.00 0.00 O ATOM 992 OE2 GLU B 10 95.995 -29.618 29.910 1.00 0.00 O ATOM 0 H GLU B 10 94.117 -23.871 29.888 1.00 0.00 H new ATOM 0 HA GLU B 10 93.273 -25.904 31.703 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.341 -26.099 29.357 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.885 -25.803 30.132 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.362 -27.742 31.724 1.00 0.00 H new ATOM 0 HG3 GLU B 10 93.951 -28.091 30.745 1.00 0.00 H new ATOM 999 N GLU B 11 96.092 -24.355 32.452 1.00 0.00 N ATOM 1000 CA GLU B 11 97.043 -24.132 33.570 1.00 0.00 C ATOM 1001 C GLU B 11 96.259 -23.635 34.786 1.00 0.00 C ATOM 1002 O GLU B 11 96.507 -24.038 35.903 1.00 0.00 O ATOM 1003 CB GLU B 11 98.075 -23.076 33.148 1.00 0.00 C ATOM 1004 CG GLU B 11 99.294 -23.142 34.070 1.00 0.00 C ATOM 1005 CD GLU B 11 100.122 -24.383 33.729 1.00 0.00 C ATOM 1006 OE1 GLU B 11 99.762 -25.068 32.786 1.00 0.00 O ATOM 1007 OE2 GLU B 11 101.102 -24.625 34.415 1.00 0.00 O ATOM 0 H GLU B 11 96.265 -23.795 31.617 1.00 0.00 H new ATOM 0 HA GLU B 11 97.560 -25.058 33.820 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.380 -23.245 32.115 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.629 -22.082 33.190 1.00 0.00 H new ATOM 0 HG2 GLU B 11 99.900 -22.244 33.954 1.00 0.00 H new ATOM 0 HG3 GLU B 11 98.975 -23.179 35.111 1.00 0.00 H new ATOM 1014 N HIS B 12 95.307 -22.764 34.575 1.00 0.00 N ATOM 1015 CA HIS B 12 94.508 -22.250 35.723 1.00 0.00 C ATOM 1016 C HIS B 12 93.774 -23.398 36.412 1.00 0.00 C ATOM 1017 O HIS B 12 93.756 -23.503 37.618 1.00 0.00 O ATOM 1018 CB HIS B 12 93.472 -21.225 35.252 1.00 0.00 C ATOM 1019 CG HIS B 12 92.772 -20.701 36.470 1.00 0.00 C ATOM 1020 ND1 HIS B 12 93.019 -19.427 37.001 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.915 -21.316 37.346 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.330 -19.332 38.160 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.663 -20.452 38.387 1.00 0.00 N ATOM 0 H HIS B 12 95.050 -22.389 33.662 1.00 0.00 H new ATOM 0 HA HIS B 12 95.198 -21.775 36.420 1.00 0.00 H new ATOM 0 HB2 HIS B 12 93.955 -20.413 34.708 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.759 -21.686 34.569 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.507 -22.310 37.237 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.325 -18.467 38.807 1.00 0.00 H new ATOM 0 HE2 HIS B 12 91.067 -20.642 39.192 1.00 0.00 H new ATOM 1031 N GLU B 13 93.150 -24.249 35.656 1.00 0.00 N ATOM 1032 CA GLU B 13 92.402 -25.382 36.265 1.00 0.00 C ATOM 1033 C GLU B 13 93.357 -26.291 37.044 1.00 0.00 C ATOM 1034 O GLU B 13 93.038 -26.787 38.106 1.00 0.00 O ATOM 1035 CB GLU B 13 91.743 -26.189 35.143 1.00 0.00 C ATOM 1036 CG GLU B 13 90.770 -27.211 35.739 1.00 0.00 C ATOM 1037 CD GLU B 13 89.509 -26.497 36.230 1.00 0.00 C ATOM 1038 OE1 GLU B 13 89.428 -25.293 36.056 1.00 0.00 O ATOM 1039 OE2 GLU B 13 88.646 -27.170 36.767 1.00 0.00 O ATOM 0 H GLU B 13 93.124 -24.211 34.637 1.00 0.00 H new ATOM 0 HA GLU B 13 91.649 -24.993 36.950 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.212 -25.520 34.466 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.505 -26.700 34.554 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.508 -27.958 34.990 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.245 -27.741 36.565 1.00 0.00 H new ATOM 1046 N LYS B 14 94.511 -26.541 36.494 1.00 0.00 N ATOM 1047 CA LYS B 14 95.489 -27.452 37.159 1.00 0.00 C ATOM 1048 C LYS B 14 95.960 -26.920 38.522 1.00 0.00 C ATOM 1049 O LYS B 14 96.295 -27.696 39.396 1.00 0.00 O ATOM 1050 CB LYS B 14 96.706 -27.649 36.249 1.00 0.00 C ATOM 1051 CG LYS B 14 96.300 -28.452 35.004 1.00 0.00 C ATOM 1052 CD LYS B 14 97.470 -28.509 34.008 1.00 0.00 C ATOM 1053 CE LYS B 14 98.521 -29.521 34.473 1.00 0.00 C ATOM 1054 NZ LYS B 14 99.538 -29.704 33.397 1.00 0.00 N ATOM 0 H LYS B 14 94.823 -26.151 35.605 1.00 0.00 H new ATOM 0 HA LYS B 14 94.979 -28.399 37.334 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.111 -26.681 35.953 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.495 -28.172 36.789 1.00 0.00 H new ATOM 0 HG2 LYS B 14 96.008 -29.462 35.292 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.432 -27.992 34.532 1.00 0.00 H new ATOM 0 HD2 LYS B 14 97.101 -28.786 33.020 1.00 0.00 H new ATOM 0 HD3 LYS B 14 97.923 -27.522 33.914 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.001 -29.171 35.387 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.047 -30.474 34.707 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 100.254 -30.391 33.709 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 99.073 -30.056 32.536 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 99.997 -28.793 33.195 1.00 0.00 H new ATOM 1068 N TYR B 15 96.042 -25.621 38.713 1.00 0.00 N ATOM 1069 CA TYR B 15 96.555 -25.093 40.027 1.00 0.00 C ATOM 1070 C TYR B 15 95.751 -23.880 40.510 1.00 0.00 C ATOM 1071 O TYR B 15 95.993 -23.368 41.584 1.00 0.00 O ATOM 1072 CB TYR B 15 98.009 -24.650 39.829 1.00 0.00 C ATOM 1073 CG TYR B 15 98.759 -25.697 39.040 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.379 -26.769 39.696 1.00 0.00 C ATOM 1075 CD2 TYR B 15 98.840 -25.589 37.644 1.00 0.00 C ATOM 1076 CE1 TYR B 15 100.076 -27.729 38.956 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.538 -26.548 36.907 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.155 -27.617 37.560 1.00 0.00 C ATOM 1079 OH TYR B 15 100.847 -28.559 36.830 1.00 0.00 O ATOM 0 H TYR B 15 95.781 -24.911 38.029 1.00 0.00 H new ATOM 0 HA TYR B 15 96.464 -25.884 40.771 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.040 -23.695 39.305 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.488 -24.498 40.796 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.319 -26.853 40.771 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.362 -24.763 37.138 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.554 -28.557 39.459 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.601 -26.463 35.832 1.00 0.00 H new ATOM 0 HH TYR B 15 100.807 -29.423 37.290 1.00 0.00 H new ATOM 1089 N HIS B 16 94.846 -23.379 39.716 1.00 0.00 N ATOM 1090 CA HIS B 16 94.085 -22.155 40.122 1.00 0.00 C ATOM 1091 C HIS B 16 95.112 -21.065 40.413 1.00 0.00 C ATOM 1092 O HIS B 16 95.035 -20.367 41.403 1.00 0.00 O ATOM 1093 CB HIS B 16 93.226 -22.389 41.379 1.00 0.00 C ATOM 1094 CG HIS B 16 92.018 -23.242 41.071 1.00 0.00 C ATOM 1095 ND1 HIS B 16 90.844 -22.744 40.522 1.00 0.00 N ATOM 1096 CD2 HIS B 16 91.757 -24.581 41.279 1.00 0.00 C ATOM 1097 CE1 HIS B 16 89.945 -23.725 40.415 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.451 -24.877 40.863 1.00 0.00 N ATOM 0 H HIS B 16 94.598 -23.761 38.803 1.00 0.00 H new ATOM 0 HA HIS B 16 93.403 -21.877 39.318 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.828 -22.873 42.148 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.902 -21.430 41.784 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.453 -25.293 41.698 1.00 0.00 H new ATOM 0 HE1 HIS B 16 88.947 -23.604 40.021 1.00 0.00 H new ATOM 0 HE2 HIS B 16 89.985 -25.783 40.896 1.00 0.00 H new ATOM 1106 N SER B 17 96.092 -20.938 39.562 1.00 0.00 N ATOM 1107 CA SER B 17 97.155 -19.923 39.789 1.00 0.00 C ATOM 1108 C SER B 17 96.576 -18.506 39.710 1.00 0.00 C ATOM 1109 O SER B 17 95.548 -18.272 39.104 1.00 0.00 O ATOM 1110 CB SER B 17 98.245 -20.099 38.732 1.00 0.00 C ATOM 1111 OG SER B 17 97.713 -19.806 37.450 1.00 0.00 O ATOM 0 H SER B 17 96.202 -21.497 38.716 1.00 0.00 H new ATOM 0 HA SER B 17 97.577 -20.064 40.784 1.00 0.00 H new ATOM 0 HB2 SER B 17 99.086 -19.440 38.948 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.627 -21.120 38.754 1.00 0.00 H new ATOM 0 HG SER B 17 98.435 -19.808 36.788 1.00 0.00 H new ATOM 1117 N ASN B 18 97.239 -17.558 40.323 1.00 0.00 N ATOM 1118 CA ASN B 18 96.747 -16.149 40.293 1.00 0.00 C ATOM 1119 C ASN B 18 97.002 -15.560 38.902 1.00 0.00 C ATOM 1120 O ASN B 18 97.826 -16.052 38.157 1.00 0.00 O ATOM 1121 CB ASN B 18 97.499 -15.326 41.346 1.00 0.00 C ATOM 1122 CG ASN B 18 97.120 -15.803 42.753 1.00 0.00 C ATOM 1123 OD1 ASN B 18 95.889 -16.156 43.003 1.00 0.00 O flip ATOM 1124 ND2 ASN B 18 97.954 -15.854 43.634 1.00 0.00 N flip ATOM 0 H ASN B 18 98.104 -17.701 40.845 1.00 0.00 H new ATOM 0 HA ASN B 18 95.679 -16.124 40.511 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.574 -15.425 41.197 1.00 0.00 H new ATOM 0 HB3 ASN B 18 97.257 -14.269 41.234 1.00 0.00 H new ATOM 0 HD21 ASN B 18 98.917 -15.579 43.441 1.00 0.00 H new ATOM 0 HD22 ASN B 18 97.692 -16.172 44.567 1.00 0.00 H new ATOM 1131 N TRP B 19 96.296 -14.524 38.536 1.00 0.00 N ATOM 1132 CA TRP B 19 96.502 -13.924 37.182 1.00 0.00 C ATOM 1133 C TRP B 19 97.968 -13.524 36.997 1.00 0.00 C ATOM 1134 O TRP B 19 98.477 -13.518 35.895 1.00 0.00 O ATOM 1135 CB TRP B 19 95.593 -12.701 37.005 1.00 0.00 C ATOM 1136 CG TRP B 19 96.077 -11.564 37.840 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.599 -11.239 39.060 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.113 -10.588 37.530 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.270 -10.116 39.517 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.217 -9.681 38.609 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.965 -10.405 36.426 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.130 -8.627 38.591 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.888 -9.348 36.406 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.969 -8.459 37.487 1.00 0.00 C ATOM 0 H TRP B 19 95.588 -14.068 39.112 1.00 0.00 H new ATOM 0 HA TRP B 19 96.245 -14.666 36.426 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.571 -12.406 35.956 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.571 -12.957 37.286 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.822 -11.767 39.592 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.087 -9.666 40.414 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.909 -11.083 35.587 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.188 -7.944 39.426 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.539 -9.219 35.554 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.679 -7.645 37.466 1.00 0.00 H new ATOM 1155 N ARG B 20 98.653 -13.182 38.055 1.00 0.00 N ATOM 1156 CA ARG B 20 100.081 -12.779 37.900 1.00 0.00 C ATOM 1157 C ARG B 20 100.908 -13.954 37.383 1.00 0.00 C ATOM 1158 O ARG B 20 101.780 -13.791 36.552 1.00 0.00 O ATOM 1159 CB ARG B 20 100.645 -12.335 39.253 1.00 0.00 C ATOM 1160 CG ARG B 20 99.972 -11.036 39.688 1.00 0.00 C ATOM 1161 CD ARG B 20 100.615 -10.536 40.977 1.00 0.00 C ATOM 1162 NE ARG B 20 99.848 -9.368 41.492 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.015 -8.987 42.726 1.00 0.00 C ATOM 1164 NH1 ARG B 20 100.858 -9.626 43.487 1.00 0.00 N ATOM 1165 NH2 ARG B 20 99.340 -7.973 43.196 1.00 0.00 N ATOM 0 H ARG B 20 98.292 -13.164 39.009 1.00 0.00 H new ATOM 0 HA ARG B 20 100.133 -11.956 37.188 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.478 -13.111 40.000 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.723 -12.191 39.179 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.069 -10.284 38.905 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.905 -11.200 39.841 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.630 -11.332 41.721 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.651 -10.252 40.793 1.00 0.00 H new ATOM 0 HE ARG B 20 99.198 -8.871 40.884 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.381 -10.418 43.115 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.994 -9.334 44.455 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.680 -7.478 42.596 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.472 -7.676 44.163 1.00 0.00 H new ATOM 1179 N ALA B 21 100.644 -15.132 37.862 1.00 0.00 N ATOM 1180 CA ALA B 21 101.418 -16.314 37.398 1.00 0.00 C ATOM 1181 C ALA B 21 101.066 -16.603 35.939 1.00 0.00 C ATOM 1182 O ALA B 21 101.931 -16.776 35.104 1.00 0.00 O ATOM 1183 CB ALA B 21 101.064 -17.517 38.281 1.00 0.00 C ATOM 0 H ALA B 21 99.924 -15.330 38.557 1.00 0.00 H new ATOM 0 HA ALA B 21 102.488 -16.119 37.471 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.626 -18.390 37.949 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.317 -17.295 39.318 1.00 0.00 H new ATOM 0 HB3 ALA B 21 99.996 -17.723 38.205 1.00 0.00 H new ATOM 1189 N MET B 22 99.804 -16.663 35.627 1.00 0.00 N ATOM 1190 CA MET B 22 99.413 -16.941 34.219 1.00 0.00 C ATOM 1191 C MET B 22 99.968 -15.846 33.310 1.00 0.00 C ATOM 1192 O MET B 22 100.431 -16.111 32.219 1.00 0.00 O ATOM 1193 CB MET B 22 97.891 -16.972 34.099 1.00 0.00 C ATOM 1194 CG MET B 22 97.338 -18.212 34.800 1.00 0.00 C ATOM 1195 SD MET B 22 95.564 -18.334 34.467 1.00 0.00 S ATOM 1196 CE MET B 22 95.044 -16.898 35.436 1.00 0.00 C ATOM 0 H MET B 22 99.031 -16.533 36.280 1.00 0.00 H new ATOM 0 HA MET B 22 99.818 -17.908 33.920 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.464 -16.072 34.543 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.601 -16.978 33.048 1.00 0.00 H new ATOM 0 HG2 MET B 22 97.850 -19.106 34.444 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.516 -18.149 35.873 1.00 0.00 H new ATOM 0 HE1 MET B 22 93.986 -16.989 35.682 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.627 -16.849 36.355 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.205 -15.990 34.855 1.00 0.00 H new ATOM 1206 N ALA B 23 99.924 -14.615 33.747 1.00 0.00 N ATOM 1207 CA ALA B 23 100.452 -13.507 32.893 1.00 0.00 C ATOM 1208 C ALA B 23 101.924 -13.773 32.565 1.00 0.00 C ATOM 1209 O ALA B 23 102.353 -13.633 31.438 1.00 0.00 O ATOM 1210 CB ALA B 23 100.323 -12.176 33.641 1.00 0.00 C ATOM 0 H ALA B 23 99.549 -14.329 34.651 1.00 0.00 H new ATOM 0 HA ALA B 23 99.878 -13.457 31.968 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.708 -11.369 33.017 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.274 -11.988 33.871 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.895 -12.223 34.568 1.00 0.00 H new ATOM 1216 N SER B 24 102.697 -14.147 33.545 1.00 0.00 N ATOM 1217 CA SER B 24 104.143 -14.422 33.302 1.00 0.00 C ATOM 1218 C SER B 24 104.316 -15.708 32.488 1.00 0.00 C ATOM 1219 O SER B 24 105.200 -15.817 31.662 1.00 0.00 O ATOM 1220 CB SER B 24 104.860 -14.567 34.642 1.00 0.00 C ATOM 1221 OG SER B 24 106.263 -14.457 34.437 1.00 0.00 O ATOM 0 H SER B 24 102.389 -14.275 34.509 1.00 0.00 H new ATOM 0 HA SER B 24 104.571 -13.592 32.739 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.520 -13.797 35.335 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.621 -15.530 35.093 1.00 0.00 H new ATOM 0 HG SER B 24 106.727 -14.548 35.295 1.00 0.00 H new ATOM 1227 N ASP B 25 103.498 -16.694 32.732 1.00 0.00 N ATOM 1228 CA ASP B 25 103.639 -17.981 31.990 1.00 0.00 C ATOM 1229 C ASP B 25 103.446 -17.748 30.490 1.00 0.00 C ATOM 1230 O ASP B 25 104.144 -18.315 29.673 1.00 0.00 O ATOM 1231 CB ASP B 25 102.580 -18.965 32.486 1.00 0.00 C ATOM 1232 CG ASP B 25 102.897 -19.373 33.925 1.00 0.00 C ATOM 1233 OD1 ASP B 25 104.025 -19.165 34.342 1.00 0.00 O ATOM 1234 OD2 ASP B 25 102.011 -19.884 34.584 1.00 0.00 O ATOM 0 H ASP B 25 102.738 -16.666 33.412 1.00 0.00 H new ATOM 0 HA ASP B 25 104.636 -18.386 32.163 1.00 0.00 H new ATOM 0 HB2 ASP B 25 101.592 -18.508 32.436 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.557 -19.845 31.844 1.00 0.00 H new ATOM 1239 N PHE B 26 102.504 -16.917 30.127 1.00 0.00 N ATOM 1240 CA PHE B 26 102.246 -16.630 28.680 1.00 0.00 C ATOM 1241 C PHE B 26 102.677 -15.198 28.358 1.00 0.00 C ATOM 1242 O PHE B 26 102.537 -14.733 27.245 1.00 0.00 O ATOM 1243 CB PHE B 26 100.751 -16.802 28.408 1.00 0.00 C ATOM 1244 CG PHE B 26 100.367 -18.238 28.679 1.00 0.00 C ATOM 1245 CD1 PHE B 26 99.972 -18.622 29.967 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.418 -19.187 27.650 1.00 0.00 C ATOM 1247 CE1 PHE B 26 99.630 -19.953 30.226 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.073 -20.520 27.910 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.681 -20.902 29.196 1.00 0.00 C ATOM 0 H PHE B 26 101.895 -16.419 30.776 1.00 0.00 H new ATOM 0 HA PHE B 26 102.815 -17.316 28.052 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.173 -16.131 29.043 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.523 -16.539 27.375 1.00 0.00 H new ATOM 0 HD1 PHE B 26 99.932 -17.890 30.760 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.723 -18.892 26.657 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.327 -20.249 31.219 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.110 -21.252 27.117 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.417 -21.930 29.396 1.00 0.00 H new ATOM 1259 N ASN B 27 103.204 -14.497 29.327 1.00 0.00 N ATOM 1260 CA ASN B 27 103.654 -13.097 29.083 1.00 0.00 C ATOM 1261 C ASN B 27 102.503 -12.276 28.485 1.00 0.00 C ATOM 1262 O ASN B 27 102.674 -11.581 27.504 1.00 0.00 O ATOM 1263 CB ASN B 27 104.841 -13.109 28.114 1.00 0.00 C ATOM 1264 CG ASN B 27 105.989 -13.930 28.709 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.185 -13.927 30.002 1.00 0.00 O flip ATOM 1266 ND2 ASN B 27 106.712 -14.589 27.991 1.00 0.00 N flip ATOM 0 H ASN B 27 103.342 -14.836 30.279 1.00 0.00 H new ATOM 0 HA ASN B 27 103.959 -12.644 30.026 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.537 -13.533 27.157 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.174 -12.089 27.920 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.562 -14.594 26.982 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.470 -15.138 28.396 1.00 0.00 H new ATOM 1273 N LEU B 28 101.331 -12.352 29.075 1.00 0.00 N ATOM 1274 CA LEU B 28 100.153 -11.577 28.555 1.00 0.00 C ATOM 1275 C LEU B 28 99.765 -10.520 29.589 1.00 0.00 C ATOM 1276 O LEU B 28 99.994 -10.702 30.766 1.00 0.00 O ATOM 1277 CB LEU B 28 98.972 -12.540 28.342 1.00 0.00 C ATOM 1278 CG LEU B 28 99.244 -13.453 27.130 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.316 -14.671 27.173 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.981 -12.697 25.820 1.00 0.00 C ATOM 0 H LEU B 28 101.138 -12.921 29.899 1.00 0.00 H new ATOM 0 HA LEU B 28 100.407 -11.096 27.610 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.820 -13.145 29.236 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.055 -11.973 28.181 1.00 0.00 H new ATOM 0 HG LEU B 28 100.286 -13.769 27.173 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.515 -15.311 26.313 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.494 -15.231 28.091 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.278 -14.339 27.146 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.178 -13.356 24.974 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.942 -12.370 25.791 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.637 -11.828 25.763 1.00 0.00 H new ATOM 1292 N PRO B 29 99.174 -9.426 29.171 1.00 0.00 N ATOM 1293 CA PRO B 29 98.760 -8.360 30.120 1.00 0.00 C ATOM 1294 C PRO B 29 97.764 -8.897 31.153 1.00 0.00 C ATOM 1295 O PRO B 29 97.157 -9.931 30.957 1.00 0.00 O ATOM 1296 CB PRO B 29 98.103 -7.286 29.227 1.00 0.00 C ATOM 1297 CG PRO B 29 97.773 -7.987 27.947 1.00 0.00 C ATOM 1298 CD PRO B 29 98.837 -9.069 27.779 1.00 0.00 C ATOM 0 HA PRO B 29 99.601 -7.968 30.692 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.207 -6.879 29.695 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.780 -6.450 29.054 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.775 -8.423 27.986 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.785 -7.293 27.107 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.456 -9.926 27.224 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.707 -8.699 27.236 1.00 0.00 H new ATOM 1306 N PRO B 30 97.591 -8.196 32.236 1.00 0.00 N ATOM 1307 CA PRO B 30 96.641 -8.604 33.310 1.00 0.00 C ATOM 1308 C PRO B 30 95.214 -8.777 32.768 1.00 0.00 C ATOM 1309 O PRO B 30 94.443 -9.560 33.271 1.00 0.00 O ATOM 1310 CB PRO B 30 96.703 -7.440 34.324 1.00 0.00 C ATOM 1311 CG PRO B 30 97.345 -6.301 33.588 1.00 0.00 C ATOM 1312 CD PRO B 30 98.275 -6.939 32.565 1.00 0.00 C ATOM 0 HA PRO B 30 96.906 -9.566 33.749 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.706 -7.170 34.673 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.284 -7.716 35.204 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.595 -5.679 33.100 1.00 0.00 H new ATOM 0 HG3 PRO B 30 97.898 -5.657 34.271 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.403 -6.307 31.686 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.268 -7.116 32.978 1.00 0.00 H new ATOM 1320 N VAL B 31 94.863 -8.042 31.755 1.00 0.00 N ATOM 1321 CA VAL B 31 93.488 -8.156 31.194 1.00 0.00 C ATOM 1322 C VAL B 31 93.218 -9.592 30.777 1.00 0.00 C ATOM 1323 O VAL B 31 92.189 -10.156 31.097 1.00 0.00 O ATOM 1324 CB VAL B 31 93.375 -7.233 29.971 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.008 -7.376 29.283 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.559 -5.784 30.426 1.00 0.00 C ATOM 0 H VAL B 31 95.468 -7.366 31.289 1.00 0.00 H new ATOM 0 HA VAL B 31 92.757 -7.865 31.949 1.00 0.00 H new ATOM 0 HB VAL B 31 94.147 -7.514 29.254 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.962 -6.709 28.422 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.873 -8.406 28.952 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.217 -7.115 29.987 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.481 -5.120 29.565 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.787 -5.530 31.152 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.541 -5.669 30.885 1.00 0.00 H new ATOM 1336 N VAL B 32 94.117 -10.195 30.067 1.00 0.00 N ATOM 1337 CA VAL B 32 93.867 -11.592 29.645 1.00 0.00 C ATOM 1338 C VAL B 32 93.942 -12.500 30.868 1.00 0.00 C ATOM 1339 O VAL B 32 93.084 -13.327 31.099 1.00 0.00 O ATOM 1340 CB VAL B 32 94.903 -12.026 28.607 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.619 -13.472 28.173 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.815 -11.098 27.392 1.00 0.00 C ATOM 0 H VAL B 32 95.002 -9.790 29.763 1.00 0.00 H new ATOM 0 HA VAL B 32 92.877 -11.663 29.194 1.00 0.00 H new ATOM 0 HB VAL B 32 95.902 -11.970 29.039 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.357 -13.781 27.433 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.676 -14.130 29.040 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.622 -13.532 27.737 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.551 -11.402 26.648 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.816 -11.158 26.960 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.015 -10.072 27.702 1.00 0.00 H new ATOM 1352 N ALA B 33 94.969 -12.353 31.651 1.00 0.00 N ATOM 1353 CA ALA B 33 95.110 -13.205 32.860 1.00 0.00 C ATOM 1354 C ALA B 33 93.982 -12.913 33.864 1.00 0.00 C ATOM 1355 O ALA B 33 93.403 -13.818 34.432 1.00 0.00 O ATOM 1356 CB ALA B 33 96.468 -12.933 33.504 1.00 0.00 C ATOM 0 H ALA B 33 95.720 -11.678 31.506 1.00 0.00 H new ATOM 0 HA ALA B 33 95.042 -14.253 32.570 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.580 -13.554 34.393 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.261 -13.168 32.794 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.533 -11.882 33.786 1.00 0.00 H new ATOM 1362 N LYS B 34 93.658 -11.664 34.091 1.00 0.00 N ATOM 1363 CA LYS B 34 92.564 -11.346 35.057 1.00 0.00 C ATOM 1364 C LYS B 34 91.244 -11.923 34.549 1.00 0.00 C ATOM 1365 O LYS B 34 90.408 -12.361 35.315 1.00 0.00 O ATOM 1366 CB LYS B 34 92.421 -9.827 35.203 1.00 0.00 C ATOM 1367 CG LYS B 34 93.661 -9.225 35.892 1.00 0.00 C ATOM 1368 CD LYS B 34 93.522 -9.295 37.425 1.00 0.00 C ATOM 1369 CE LYS B 34 92.704 -8.103 37.943 1.00 0.00 C ATOM 1370 NZ LYS B 34 92.421 -8.281 39.396 1.00 0.00 N ATOM 0 H LYS B 34 94.101 -10.857 33.652 1.00 0.00 H new ATOM 0 HA LYS B 34 92.810 -11.784 36.024 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.289 -9.373 34.221 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.528 -9.595 35.784 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.555 -9.764 35.578 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.788 -8.188 35.581 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.037 -10.229 37.710 1.00 0.00 H new ATOM 0 HD3 LYS B 34 94.509 -9.295 37.887 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.252 -7.175 37.781 1.00 0.00 H new ATOM 0 HE3 LYS B 34 91.769 -8.022 37.388 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 91.867 -7.472 39.743 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 91.881 -9.158 39.540 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.318 -8.337 39.920 1.00 0.00 H new ATOM 1384 N GLU B 35 91.041 -11.904 33.259 1.00 0.00 N ATOM 1385 CA GLU B 35 89.767 -12.431 32.695 1.00 0.00 C ATOM 1386 C GLU B 35 89.615 -13.915 33.036 1.00 0.00 C ATOM 1387 O GLU B 35 88.537 -14.377 33.361 1.00 0.00 O ATOM 1388 CB GLU B 35 89.765 -12.231 31.176 1.00 0.00 C ATOM 1389 CG GLU B 35 88.385 -12.575 30.601 1.00 0.00 C ATOM 1390 CD GLU B 35 88.212 -14.094 30.530 1.00 0.00 C ATOM 1391 OE1 GLU B 35 89.213 -14.789 30.549 1.00 0.00 O ATOM 1392 OE2 GLU B 35 87.077 -14.535 30.454 1.00 0.00 O ATOM 0 H GLU B 35 91.704 -11.546 32.571 1.00 0.00 H new ATOM 0 HA GLU B 35 88.926 -11.890 33.129 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.020 -11.199 30.937 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.526 -12.862 30.717 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.603 -12.140 31.224 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.278 -12.142 29.607 1.00 0.00 H new ATOM 1399 N ILE B 36 90.676 -14.674 32.974 1.00 0.00 N ATOM 1400 CA ILE B 36 90.553 -16.119 33.314 1.00 0.00 C ATOM 1401 C ILE B 36 90.071 -16.240 34.762 1.00 0.00 C ATOM 1402 O ILE B 36 89.250 -17.074 35.084 1.00 0.00 O ATOM 1403 CB ILE B 36 91.917 -16.805 33.154 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.394 -16.627 31.708 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.797 -18.305 33.466 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.657 -17.456 31.462 1.00 0.00 C ATOM 0 H ILE B 36 91.609 -14.361 32.707 1.00 0.00 H new ATOM 0 HA ILE B 36 89.839 -16.602 32.647 1.00 0.00 H new ATOM 0 HB ILE B 36 92.630 -16.356 33.846 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.608 -16.934 31.018 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.597 -15.574 31.511 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.771 -18.780 33.349 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.450 -18.437 34.491 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.085 -18.764 32.780 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.986 -17.321 30.432 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.445 -17.129 32.140 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.441 -18.510 31.639 1.00 0.00 H new ATOM 1418 N VAL B 37 90.570 -15.410 35.634 1.00 0.00 N ATOM 1419 CA VAL B 37 90.136 -15.478 37.060 1.00 0.00 C ATOM 1420 C VAL B 37 88.648 -15.159 37.148 1.00 0.00 C ATOM 1421 O VAL B 37 87.918 -15.749 37.918 1.00 0.00 O ATOM 1422 CB VAL B 37 90.923 -14.468 37.898 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.464 -14.551 39.357 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.418 -14.787 37.814 1.00 0.00 C ATOM 0 H VAL B 37 91.259 -14.688 35.423 1.00 0.00 H new ATOM 0 HA VAL B 37 90.323 -16.481 37.444 1.00 0.00 H new ATOM 0 HB VAL B 37 90.746 -13.462 37.516 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.023 -13.832 39.956 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.400 -14.323 39.417 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.642 -15.557 39.738 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.978 -14.067 38.411 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.598 -15.792 38.195 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.745 -14.729 36.776 1.00 0.00 H new ATOM 1434 N ALA B 38 88.197 -14.223 36.370 1.00 0.00 N ATOM 1435 CA ALA B 38 86.759 -13.852 36.403 1.00 0.00 C ATOM 1436 C ALA B 38 85.894 -15.053 36.016 1.00 0.00 C ATOM 1437 O ALA B 38 84.800 -15.230 36.515 1.00 0.00 O ATOM 1438 CB ALA B 38 86.519 -12.716 35.414 1.00 0.00 C ATOM 0 H ALA B 38 88.765 -13.695 35.708 1.00 0.00 H new ATOM 0 HA ALA B 38 86.491 -13.535 37.411 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.466 -12.436 35.430 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.128 -11.856 35.693 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.792 -13.043 34.411 1.00 0.00 H new ATOM 1444 N SER B 39 86.370 -15.871 35.121 1.00 0.00 N ATOM 1445 CA SER B 39 85.573 -17.051 34.682 1.00 0.00 C ATOM 1446 C SER B 39 85.617 -18.147 35.753 1.00 0.00 C ATOM 1447 O SER B 39 84.703 -18.943 35.873 1.00 0.00 O ATOM 1448 CB SER B 39 86.157 -17.582 33.371 1.00 0.00 C ATOM 1449 OG SER B 39 86.083 -16.563 32.383 1.00 0.00 O ATOM 0 H SER B 39 87.281 -15.773 34.672 1.00 0.00 H new ATOM 0 HA SER B 39 84.535 -16.754 34.532 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.192 -17.889 33.518 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.606 -18.464 33.044 1.00 0.00 H new ATOM 0 HG SER B 39 86.457 -16.896 31.541 1.00 0.00 H new ATOM 1455 N CYS B 40 86.662 -18.198 36.532 1.00 0.00 N ATOM 1456 CA CYS B 40 86.753 -19.245 37.591 1.00 0.00 C ATOM 1457 C CYS B 40 85.926 -18.817 38.808 1.00 0.00 C ATOM 1458 O CYS B 40 86.319 -17.952 39.567 1.00 0.00 O ATOM 1459 CB CYS B 40 88.212 -19.422 38.007 1.00 0.00 C ATOM 1460 SG CYS B 40 88.301 -20.613 39.365 1.00 0.00 S ATOM 0 H CYS B 40 87.457 -17.561 36.482 1.00 0.00 H new ATOM 0 HA CYS B 40 86.367 -20.187 37.202 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.804 -19.771 37.161 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.633 -18.466 38.318 1.00 0.00 H new ATOM 0 HG CYS B 40 89.209 -20.235 40.215 1.00 0.00 H new ATOM 1465 N ASP B 41 84.780 -19.410 38.988 1.00 0.00 N ATOM 1466 CA ASP B 41 83.911 -19.046 40.144 1.00 0.00 C ATOM 1467 C ASP B 41 84.634 -19.300 41.470 1.00 0.00 C ATOM 1468 O ASP B 41 84.407 -18.616 42.447 1.00 0.00 O ATOM 1469 CB ASP B 41 82.626 -19.875 40.091 1.00 0.00 C ATOM 1470 CG ASP B 41 81.851 -19.529 38.818 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.146 -18.496 38.230 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.978 -20.303 38.448 1.00 0.00 O ATOM 0 H ASP B 41 84.404 -20.137 38.380 1.00 0.00 H new ATOM 0 HA ASP B 41 83.671 -17.985 40.082 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.865 -20.938 40.107 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.013 -19.673 40.969 1.00 0.00 H new ATOM 1477 N LYS B 42 85.491 -20.284 41.528 1.00 0.00 N ATOM 1478 CA LYS B 42 86.196 -20.566 42.814 1.00 0.00 C ATOM 1479 C LYS B 42 87.176 -19.433 43.138 1.00 0.00 C ATOM 1480 O LYS B 42 87.274 -18.995 44.266 1.00 0.00 O ATOM 1481 CB LYS B 42 86.965 -21.888 42.699 1.00 0.00 C ATOM 1482 CG LYS B 42 85.984 -23.030 42.433 1.00 0.00 C ATOM 1483 CD LYS B 42 86.733 -24.365 42.458 1.00 0.00 C ATOM 1484 CE LYS B 42 85.797 -25.486 42.005 1.00 0.00 C ATOM 1485 NZ LYS B 42 84.692 -25.638 42.994 1.00 0.00 N ATOM 0 H LYS B 42 85.732 -20.899 40.751 1.00 0.00 H new ATOM 0 HA LYS B 42 85.458 -20.639 43.613 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.695 -21.827 41.892 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.520 -22.079 43.617 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.196 -23.029 43.186 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.501 -22.890 41.466 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.604 -24.318 41.804 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.101 -24.569 43.464 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.390 -25.259 41.020 1.00 0.00 H new ATOM 0 HE3 LYS B 42 86.349 -26.421 41.914 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.185 -26.528 42.814 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.087 -25.653 43.956 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.032 -24.839 42.903 1.00 0.00 H new ATOM 1499 N CYS B 43 87.902 -18.952 42.166 1.00 0.00 N ATOM 1500 CA CYS B 43 88.872 -17.848 42.433 1.00 0.00 C ATOM 1501 C CYS B 43 88.171 -16.484 42.355 1.00 0.00 C ATOM 1502 O CYS B 43 88.545 -15.546 43.032 1.00 0.00 O ATOM 1503 CB CYS B 43 90.002 -17.906 41.403 1.00 0.00 C ATOM 1504 SG CYS B 43 90.988 -19.401 41.668 1.00 0.00 S ATOM 0 H CYS B 43 87.867 -19.274 41.199 1.00 0.00 H new ATOM 0 HA CYS B 43 89.280 -17.972 43.436 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.589 -17.905 40.394 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.633 -17.022 41.490 1.00 0.00 H new ATOM 0 HG CYS B 43 92.062 -19.347 40.938 1.00 0.00 H new ATOM 1509 N GLN B 44 87.172 -16.358 41.522 1.00 0.00 N ATOM 1510 CA GLN B 44 86.466 -15.045 41.385 1.00 0.00 C ATOM 1511 C GLN B 44 85.661 -14.727 42.649 1.00 0.00 C ATOM 1512 O GLN B 44 85.789 -13.665 43.225 1.00 0.00 O ATOM 1513 CB GLN B 44 85.512 -15.129 40.192 1.00 0.00 C ATOM 1514 CG GLN B 44 84.909 -13.753 39.898 1.00 0.00 C ATOM 1515 CD GLN B 44 83.824 -13.898 38.826 1.00 0.00 C ATOM 1516 OE1 GLN B 44 83.950 -13.265 37.690 1.00 0.00 O flip ATOM 1517 NE2 GLN B 44 82.851 -14.598 39.023 1.00 0.00 N flip ATOM 0 H GLN B 44 86.813 -17.106 40.929 1.00 0.00 H new ATOM 0 HA GLN B 44 87.204 -14.256 41.236 1.00 0.00 H new ATOM 0 HB2 GLN B 44 86.046 -15.495 39.315 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.717 -15.845 40.402 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.484 -13.327 40.807 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.685 -13.068 39.557 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.750 -15.093 39.909 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.135 -14.690 38.302 1.00 0.00 H new