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= -4.01! C(o=-3.2!,f=-5.4!) USER MOD Set 1.2: B 16 HIS : no HD1:sc= 0.006 K(o=-3.2,f=-5.3) USER MOD Set 1.3: B 22 MET CE :methyl -160:sc= -0.186 (180deg=-1.92) USER MOD Set 1.4: B 40 CYS SG : rot -141:sc= 1.01 USER MOD Set 1.5: B 43 CYS SG : rot 180:sc= 0.0278 USER MOD Set 2.1: A 12 HIS : no HD1:sc= -3.93! C(o=-3.2!,f=-5.4!) USER MOD Set 2.2: A 16 HIS : no HD1:sc= 0.00652 K(o=-3.2,f=-5.3) USER MOD Set 2.3: A 22 MET CE :methyl -161:sc= -0.219 (180deg=-1.85) USER MOD Set 2.4: A 40 CYS SG : rot -141:sc= 0.927 USER MOD Set 2.5: A 43 CYS SG : rot 180:sc=-0.00553 USER MOD Single : A 1 PHE N :NH3+ 153:sc= 0.463 (180deg=0.132) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -3.03! C(o=-3.8!,f=-3!) USER MOD Single : A 14 LYS NZ :NH3+ 150:sc= -0.128 (180deg=-0.9) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -172:sc= -0.522 USER MOD Single : A 18 ASN : amide:sc= -0.143 K(o=-0.14,f=-1.7!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -148:sc= -0.18 (180deg=-1.05) USER MOD Single : A 39 SER OG : rot 100:sc= -0.239 USER MOD Single : A 42 LYS NZ :NH3+ 160:sc= -0.0858 (180deg=-0.633) USER MOD Single : A 44 GLN : amide:sc= -3.31! C(o=-3.3!,f=-6.1!) USER MOD Single : B 1 PHE N :NH3+ 153:sc= 0.494 (180deg=0.161) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN :FLIP amide:sc= -2.86! C(o=-3.7!,f=-2.9!) USER MOD Single : B 14 LYS NZ :NH3+ 151:sc= -0.195 (180deg=-1.03) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -171:sc= -0.48 USER MOD Single : B 18 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.7!) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : B 34 LYS NZ :NH3+ -150:sc= -0.173 (180deg=-1) USER MOD Single : B 39 SER OG : rot 96:sc= -0.325 USER MOD Single : B 42 LYS NZ :NH3+ 159:sc= -0.0598 (180deg=-0.542) USER MOD Single : B 44 GLN :FLIP amide:sc= -3.27! C(o=-5.9!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.271 -3.507 24.081 1.00 0.00 N ATOM 2 CA PHE A 1 94.542 -4.087 25.247 1.00 0.00 C ATOM 3 C PHE A 1 94.075 -2.957 26.170 1.00 0.00 C ATOM 4 O PHE A 1 92.900 -2.672 26.280 1.00 0.00 O ATOM 5 CB PHE A 1 95.474 -5.020 26.035 1.00 0.00 C ATOM 6 CG PHE A 1 95.681 -6.323 25.291 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.669 -6.414 24.300 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.905 -7.452 25.609 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.882 -7.627 23.630 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.118 -8.659 24.932 1.00 0.00 C ATOM 11 CZ PHE A 1 96.105 -8.747 23.945 1.00 0.00 C ATOM 0 H1 PHE A 1 95.955 -4.202 23.719 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.591 -3.267 23.331 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.776 -2.648 24.379 1.00 0.00 H new ATOM 0 HA PHE A 1 93.683 -4.651 24.884 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.435 -4.531 26.196 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.049 -5.221 27.019 1.00 0.00 H new ATOM 0 HD1 PHE A 1 97.266 -5.549 24.053 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.146 -7.388 26.374 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.646 -7.697 22.870 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.518 -9.524 25.173 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.267 -9.680 23.426 1.00 0.00 H new ATOM 23 N LEU A 2 94.994 -2.331 26.847 1.00 0.00 N ATOM 24 CA LEU A 2 94.636 -1.236 27.793 1.00 0.00 C ATOM 25 C LEU A 2 94.210 0.029 27.036 1.00 0.00 C ATOM 26 O LEU A 2 93.530 0.876 27.579 1.00 0.00 O ATOM 27 CB LEU A 2 95.865 -0.911 28.646 1.00 0.00 C ATOM 28 CG LEU A 2 96.485 -2.210 29.171 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.617 -1.874 30.144 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.418 -3.040 29.895 1.00 0.00 C ATOM 0 H LEU A 2 95.992 -2.533 26.785 1.00 0.00 H new ATOM 0 HA LEU A 2 93.803 -1.565 28.414 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.596 -0.361 28.054 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.582 -0.268 29.480 1.00 0.00 H new ATOM 0 HG LEU A 2 96.880 -2.786 28.334 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.060 -2.796 30.519 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.379 -1.289 29.628 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.220 -1.297 30.979 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.865 -3.962 30.266 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.018 -2.468 30.732 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.612 -3.280 29.202 1.00 0.00 H new ATOM 42 N ASP A 3 94.622 0.188 25.807 1.00 0.00 N ATOM 43 CA ASP A 3 94.250 1.430 25.058 1.00 0.00 C ATOM 44 C ASP A 3 92.748 1.473 24.760 1.00 0.00 C ATOM 45 O ASP A 3 92.039 2.344 25.226 1.00 0.00 O ATOM 46 CB ASP A 3 95.015 1.468 23.735 1.00 0.00 C ATOM 47 CG ASP A 3 94.844 2.844 23.091 1.00 0.00 C ATOM 48 OD1 ASP A 3 94.160 3.668 23.674 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.403 3.050 22.028 1.00 0.00 O ATOM 0 H ASP A 3 95.195 -0.480 25.291 1.00 0.00 H new ATOM 0 HA ASP A 3 94.506 2.289 25.677 1.00 0.00 H new ATOM 0 HB2 ASP A 3 96.072 1.263 23.907 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.645 0.692 23.065 1.00 0.00 H new ATOM 54 N GLY A 4 92.259 0.557 23.973 1.00 0.00 N ATOM 55 CA GLY A 4 90.806 0.566 23.631 1.00 0.00 C ATOM 56 C GLY A 4 89.974 0.373 24.897 1.00 0.00 C ATOM 57 O GLY A 4 88.950 1.000 25.080 1.00 0.00 O ATOM 0 H GLY A 4 92.800 -0.198 23.551 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.542 1.509 23.152 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.587 -0.227 22.916 1.00 0.00 H new ATOM 61 N ILE A 5 90.396 -0.497 25.770 1.00 0.00 N ATOM 62 CA ILE A 5 89.623 -0.732 27.021 1.00 0.00 C ATOM 63 C ILE A 5 89.508 0.563 27.826 1.00 0.00 C ATOM 64 O ILE A 5 88.471 0.856 28.391 1.00 0.00 O ATOM 65 CB ILE A 5 90.324 -1.800 27.853 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.259 -3.134 27.099 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.627 -1.937 29.207 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.149 -4.182 27.782 1.00 0.00 C ATOM 0 H ILE A 5 91.243 -1.056 25.672 1.00 0.00 H new ATOM 0 HA ILE A 5 88.619 -1.070 26.763 1.00 0.00 H new ATOM 0 HB ILE A 5 91.364 -1.519 28.018 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.229 -3.489 27.065 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.581 -2.991 26.067 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.130 -2.701 29.800 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.667 -0.984 29.735 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.587 -2.224 29.053 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.091 -5.122 27.234 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.181 -3.832 27.793 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.808 -4.337 28.806 1.00 0.00 H new ATOM 80 N ASP A 6 90.550 1.343 27.895 1.00 0.00 N ATOM 81 CA ASP A 6 90.452 2.605 28.675 1.00 0.00 C ATOM 82 C ASP A 6 89.275 3.414 28.142 1.00 0.00 C ATOM 83 O ASP A 6 88.433 3.874 28.887 1.00 0.00 O ATOM 84 CB ASP A 6 91.745 3.414 28.531 1.00 0.00 C ATOM 85 CG ASP A 6 91.732 4.575 29.525 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.704 4.784 30.147 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.751 5.235 29.651 1.00 0.00 O ATOM 0 H ASP A 6 91.451 1.165 27.452 1.00 0.00 H new ATOM 0 HA ASP A 6 90.302 2.376 29.730 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.609 2.775 28.713 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.838 3.793 27.513 1.00 0.00 H new ATOM 92 N LYS A 7 89.193 3.573 26.852 1.00 0.00 N ATOM 93 CA LYS A 7 88.051 4.333 26.279 1.00 0.00 C ATOM 94 C LYS A 7 86.761 3.537 26.489 1.00 0.00 C ATOM 95 O LYS A 7 85.738 4.073 26.869 1.00 0.00 O ATOM 96 CB LYS A 7 88.281 4.554 24.780 1.00 0.00 C ATOM 97 CG LYS A 7 87.227 5.519 24.239 1.00 0.00 C ATOM 98 CD LYS A 7 87.371 5.650 22.718 1.00 0.00 C ATOM 99 CE LYS A 7 88.749 6.229 22.360 1.00 0.00 C ATOM 100 NZ LYS A 7 88.665 6.932 21.047 1.00 0.00 N ATOM 0 H LYS A 7 89.863 3.212 26.173 1.00 0.00 H new ATOM 0 HA LYS A 7 87.969 5.300 26.775 1.00 0.00 H new ATOM 0 HB2 LYS A 7 89.279 4.957 24.610 1.00 0.00 H new ATOM 0 HB3 LYS A 7 88.226 3.604 24.249 1.00 0.00 H new ATOM 0 HG2 LYS A 7 86.229 5.159 24.489 1.00 0.00 H new ATOM 0 HG3 LYS A 7 87.340 6.496 24.709 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.246 4.674 22.249 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.585 6.295 22.326 1.00 0.00 H new ATOM 0 HE2 LYS A 7 89.077 6.921 23.135 1.00 0.00 H new ATOM 0 HE3 LYS A 7 89.490 5.431 22.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 89.597 7.324 20.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 88.369 6.259 20.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 87.970 7.703 21.110 1.00 0.00 H new ATOM 114 N ALA A 8 86.806 2.253 26.256 1.00 0.00 N ATOM 115 CA ALA A 8 85.588 1.420 26.449 1.00 0.00 C ATOM 116 C ALA A 8 85.189 1.451 27.927 1.00 0.00 C ATOM 117 O ALA A 8 84.023 1.437 28.264 1.00 0.00 O ATOM 118 CB ALA A 8 85.871 -0.022 26.005 1.00 0.00 C ATOM 0 H ALA A 8 87.633 1.747 25.941 1.00 0.00 H new ATOM 0 HA ALA A 8 84.770 1.816 25.847 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.977 -0.629 26.148 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.151 -0.030 24.951 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.687 -0.432 26.600 1.00 0.00 H new ATOM 124 N GLN A 9 86.151 1.483 28.812 1.00 0.00 N ATOM 125 CA GLN A 9 85.816 1.506 30.264 1.00 0.00 C ATOM 126 C GLN A 9 84.913 2.708 30.554 1.00 0.00 C ATOM 127 O GLN A 9 83.959 2.608 31.300 1.00 0.00 O ATOM 128 CB GLN A 9 87.105 1.614 31.096 1.00 0.00 C ATOM 129 CG GLN A 9 86.827 1.205 32.549 1.00 0.00 C ATOM 130 CD GLN A 9 85.897 2.225 33.209 1.00 0.00 C ATOM 131 OE1 GLN A 9 86.136 3.497 33.058 1.00 0.00 O flip ATOM 132 NE2 GLN A 9 84.945 1.860 33.869 1.00 0.00 N flip ATOM 0 H GLN A 9 87.147 1.494 28.593 1.00 0.00 H new ATOM 0 HA GLN A 9 85.297 0.585 30.531 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.877 0.973 30.670 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.484 2.635 31.063 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.373 0.215 32.576 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.763 1.142 33.103 1.00 0.00 H new ATOM 0 HE21 GLN A 9 84.758 0.864 33.987 1.00 0.00 H new ATOM 0 HE22 GLN A 9 84.332 2.549 34.305 1.00 0.00 H new ATOM 141 N GLU A 10 85.190 3.840 29.961 1.00 0.00 N ATOM 142 CA GLU A 10 84.324 5.028 30.203 1.00 0.00 C ATOM 143 C GLU A 10 82.901 4.703 29.751 1.00 0.00 C ATOM 144 O GLU A 10 81.937 5.032 30.414 1.00 0.00 O ATOM 145 CB GLU A 10 84.859 6.223 29.409 1.00 0.00 C ATOM 146 CG GLU A 10 84.121 7.496 29.837 1.00 0.00 C ATOM 147 CD GLU A 10 84.530 7.875 31.262 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.611 7.485 31.672 1.00 0.00 O ATOM 149 OE2 GLU A 10 83.752 8.546 31.921 1.00 0.00 O ATOM 0 H GLU A 10 85.973 3.991 29.325 1.00 0.00 H new ATOM 0 HA GLU A 10 84.325 5.277 31.264 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.930 6.336 29.580 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.723 6.053 28.341 1.00 0.00 H new ATOM 0 HG2 GLU A 10 84.355 8.311 29.152 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.044 7.337 29.788 1.00 0.00 H new ATOM 156 N GLU A 11 82.766 4.048 28.628 1.00 0.00 N ATOM 157 CA GLU A 11 81.407 3.683 28.136 1.00 0.00 C ATOM 158 C GLU A 11 80.730 2.799 29.176 1.00 0.00 C ATOM 159 O GLU A 11 79.560 2.943 29.464 1.00 0.00 O ATOM 160 CB GLU A 11 81.541 2.919 26.812 1.00 0.00 C ATOM 161 CG GLU A 11 80.155 2.602 26.241 1.00 0.00 C ATOM 162 CD GLU A 11 79.533 1.410 26.981 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.269 0.687 27.633 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.329 1.240 26.880 1.00 0.00 O ATOM 0 H GLU A 11 83.538 3.751 28.031 1.00 0.00 H new ATOM 0 HA GLU A 11 80.810 4.580 27.975 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.110 3.513 26.097 1.00 0.00 H new ATOM 0 HB3 GLU A 11 82.097 1.995 26.972 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.508 3.474 26.334 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.235 2.377 25.178 1.00 0.00 H new ATOM 171 N HIS A 12 81.463 1.883 29.744 1.00 0.00 N ATOM 172 CA HIS A 12 80.865 0.992 30.771 1.00 0.00 C ATOM 173 C HIS A 12 80.367 1.832 31.942 1.00 0.00 C ATOM 174 O HIS A 12 79.282 1.638 32.439 1.00 0.00 O ATOM 175 CB HIS A 12 81.908 -0.001 31.287 1.00 0.00 C ATOM 176 CG HIS A 12 81.227 -0.893 32.278 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.920 -2.233 32.000 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.679 -0.626 33.506 1.00 0.00 C ATOM 179 CE1 HIS A 12 80.202 -2.707 33.043 1.00 0.00 C ATOM 180 NE2 HIS A 12 80.045 -1.760 33.955 1.00 0.00 N ATOM 0 H HIS A 12 82.448 1.714 29.541 1.00 0.00 H new ATOM 0 HA HIS A 12 80.038 0.444 30.319 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.321 -0.586 30.465 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.741 0.525 31.753 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.736 0.316 34.032 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.813 -3.712 33.121 1.00 0.00 H new ATOM 0 HE2 HIS A 12 79.541 -1.855 34.837 1.00 0.00 H new ATOM 188 N GLU A 13 81.161 2.752 32.399 1.00 0.00 N ATOM 189 CA GLU A 13 80.736 3.591 33.554 1.00 0.00 C ATOM 190 C GLU A 13 79.465 4.378 33.202 1.00 0.00 C ATOM 191 O GLU A 13 78.561 4.513 34.002 1.00 0.00 O ATOM 192 CB GLU A 13 81.863 4.573 33.891 1.00 0.00 C ATOM 193 CG GLU A 13 81.570 5.265 35.225 1.00 0.00 C ATOM 194 CD GLU A 13 81.677 4.242 36.355 1.00 0.00 C ATOM 195 OE1 GLU A 13 82.624 3.474 36.342 1.00 0.00 O ATOM 196 OE2 GLU A 13 80.807 4.239 37.211 1.00 0.00 O ATOM 0 H GLU A 13 82.087 2.962 32.025 1.00 0.00 H new ATOM 0 HA GLU A 13 80.525 2.948 34.409 1.00 0.00 H new ATOM 0 HB2 GLU A 13 82.814 4.043 33.947 1.00 0.00 H new ATOM 0 HB3 GLU A 13 81.959 5.316 33.099 1.00 0.00 H new ATOM 0 HG2 GLU A 13 82.275 6.080 35.388 1.00 0.00 H new ATOM 0 HG3 GLU A 13 80.573 5.704 35.209 1.00 0.00 H new ATOM 203 N LYS A 14 79.414 4.919 32.019 1.00 0.00 N ATOM 204 CA LYS A 14 78.235 5.732 31.600 1.00 0.00 C ATOM 205 C LYS A 14 76.938 4.917 31.556 1.00 0.00 C ATOM 206 O LYS A 14 75.867 5.466 31.728 1.00 0.00 O ATOM 207 CB LYS A 14 78.497 6.306 30.211 1.00 0.00 C ATOM 208 CG LYS A 14 79.625 7.338 30.289 1.00 0.00 C ATOM 209 CD LYS A 14 79.998 7.816 28.875 1.00 0.00 C ATOM 210 CE LYS A 14 79.029 8.905 28.402 1.00 0.00 C ATOM 211 NZ LYS A 14 79.151 10.098 29.285 1.00 0.00 N ATOM 0 H LYS A 14 80.146 4.833 31.314 1.00 0.00 H new ATOM 0 HA LYS A 14 78.105 6.521 32.341 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.768 5.507 29.521 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.591 6.770 29.821 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.312 8.186 30.898 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.497 6.900 30.776 1.00 0.00 H new ATOM 0 HD2 LYS A 14 81.017 8.202 28.873 1.00 0.00 H new ATOM 0 HD3 LYS A 14 79.974 6.975 28.183 1.00 0.00 H new ATOM 0 HE2 LYS A 14 79.249 9.179 27.370 1.00 0.00 H new ATOM 0 HE3 LYS A 14 78.006 8.529 28.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 78.933 10.957 28.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 78.484 10.012 30.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 80.121 10.159 29.654 1.00 0.00 H new ATOM 225 N TYR A 15 76.998 3.636 31.270 1.00 0.00 N ATOM 226 CA TYR A 15 75.725 2.840 31.158 1.00 0.00 C ATOM 227 C TYR A 15 75.842 1.457 31.821 1.00 0.00 C ATOM 228 O TYR A 15 74.878 0.720 31.886 1.00 0.00 O ATOM 229 CB TYR A 15 75.426 2.656 29.666 1.00 0.00 C ATOM 230 CG TYR A 15 75.485 4.000 28.977 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.370 4.845 28.997 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.658 4.405 28.313 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.421 6.091 28.360 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.707 5.652 27.673 1.00 0.00 C ATOM 235 CZ TYR A 15 75.588 6.493 27.697 1.00 0.00 C ATOM 236 OH TYR A 15 75.631 7.718 27.064 1.00 0.00 O ATOM 0 H TYR A 15 77.858 3.111 31.111 1.00 0.00 H new ATOM 0 HA TYR A 15 74.928 3.378 31.671 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.149 1.973 29.220 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.441 2.209 29.533 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.468 4.536 29.505 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.521 3.755 28.296 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.560 6.743 28.380 1.00 0.00 H new ATOM 0 HE2 TYR A 15 77.606 5.963 27.162 1.00 0.00 H new ATOM 0 HH TYR A 15 76.512 7.844 26.654 1.00 0.00 H new ATOM 246 N HIS A 16 77.000 1.071 32.276 1.00 0.00 N ATOM 247 CA HIS A 16 77.146 -0.286 32.883 1.00 0.00 C ATOM 248 C HIS A 16 76.613 -1.294 31.875 1.00 0.00 C ATOM 249 O HIS A 16 75.902 -2.218 32.212 1.00 0.00 O ATOM 250 CB HIS A 16 76.354 -0.413 34.195 1.00 0.00 C ATOM 251 CG HIS A 16 77.038 0.331 35.318 1.00 0.00 C ATOM 252 ND1 HIS A 16 78.119 -0.175 36.032 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.764 1.540 35.924 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.455 0.680 37.002 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.657 1.750 36.983 1.00 0.00 N ATOM 0 H HIS A 16 77.851 1.633 32.255 1.00 0.00 H new ATOM 0 HA HIS A 16 78.195 -0.464 33.118 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.347 -0.020 34.055 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.252 -1.465 34.461 1.00 0.00 H new ATOM 0 HD2 HIS A 16 75.980 2.221 35.627 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.261 0.527 37.704 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.690 2.554 37.610 1.00 0.00 H new ATOM 263 N SER A 17 76.933 -1.097 30.628 1.00 0.00 N ATOM 264 CA SER A 17 76.430 -2.011 29.579 1.00 0.00 C ATOM 265 C SER A 17 77.004 -3.414 29.762 1.00 0.00 C ATOM 266 O SER A 17 78.040 -3.603 30.369 1.00 0.00 O ATOM 267 CB SER A 17 76.837 -1.473 28.213 1.00 0.00 C ATOM 268 OG SER A 17 78.252 -1.513 28.100 1.00 0.00 O ATOM 0 H SER A 17 77.525 -0.337 30.293 1.00 0.00 H new ATOM 0 HA SER A 17 75.344 -2.069 29.654 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.380 -2.069 27.423 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.479 -0.451 28.090 1.00 0.00 H new ATOM 0 HG SER A 17 78.528 -1.054 27.279 1.00 0.00 H new ATOM 274 N ASN A 18 76.331 -4.398 29.237 1.00 0.00 N ATOM 275 CA ASN A 18 76.820 -5.798 29.366 1.00 0.00 C ATOM 276 C ASN A 18 78.024 -6.010 28.449 1.00 0.00 C ATOM 277 O ASN A 18 78.203 -5.310 27.472 1.00 0.00 O ATOM 278 CB ASN A 18 75.703 -6.760 28.968 1.00 0.00 C ATOM 279 CG ASN A 18 74.576 -6.684 30.000 1.00 0.00 C ATOM 280 OD1 ASN A 18 74.785 -6.240 31.111 1.00 0.00 O ATOM 281 ND2 ASN A 18 73.384 -7.105 29.677 1.00 0.00 N ATOM 0 H ASN A 18 75.458 -4.292 28.721 1.00 0.00 H new ATOM 0 HA ASN A 18 77.117 -5.985 30.398 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.323 -6.505 27.979 1.00 0.00 H new ATOM 0 HB3 ASN A 18 76.089 -7.778 28.908 1.00 0.00 H new ATOM 0 HD21 ASN A 18 72.626 -7.062 30.358 1.00 0.00 H new ATOM 0 HD22 ASN A 18 73.210 -7.478 28.743 1.00 0.00 H new ATOM 288 N TRP A 19 78.851 -6.971 28.755 1.00 0.00 N ATOM 289 CA TRP A 19 80.043 -7.225 27.900 1.00 0.00 C ATOM 290 C TRP A 19 79.606 -7.434 26.449 1.00 0.00 C ATOM 291 O TRP A 19 80.337 -7.134 25.524 1.00 0.00 O ATOM 292 CB TRP A 19 80.801 -8.459 28.408 1.00 0.00 C ATOM 293 CG TRP A 19 80.018 -9.708 28.148 1.00 0.00 C ATOM 294 CD1 TRP A 19 79.227 -10.332 29.050 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.952 -10.499 26.926 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.685 -11.462 28.460 1.00 0.00 N ATOM 297 CE2 TRP A 19 79.100 -11.606 27.149 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.544 -10.361 25.657 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.848 -12.548 26.148 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.292 -11.305 24.648 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.446 -12.396 24.893 1.00 0.00 C ATOM 0 H TRP A 19 78.753 -7.590 29.559 1.00 0.00 H new ATOM 0 HA TRP A 19 80.707 -6.362 27.948 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.771 -8.524 27.916 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.992 -8.360 29.477 1.00 0.00 H new ATOM 0 HD1 TRP A 19 79.047 -10.004 30.063 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.056 -12.109 28.935 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.196 -9.524 25.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.196 -13.387 26.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.752 -11.190 23.678 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.256 -13.119 24.113 1.00 0.00 H new ATOM 312 N ARG A 20 78.427 -7.947 26.233 1.00 0.00 N ATOM 313 CA ARG A 20 77.965 -8.170 24.833 1.00 0.00 C ATOM 314 C ARG A 20 77.881 -6.834 24.098 1.00 0.00 C ATOM 315 O ARG A 20 78.248 -6.725 22.944 1.00 0.00 O ATOM 316 CB ARG A 20 76.579 -8.819 24.852 1.00 0.00 C ATOM 317 CG ARG A 20 76.659 -10.193 25.520 1.00 0.00 C ATOM 318 CD ARG A 20 75.269 -10.834 25.532 1.00 0.00 C ATOM 319 NE ARG A 20 74.324 -9.948 26.269 1.00 0.00 N ATOM 320 CZ ARG A 20 73.036 -10.126 26.155 1.00 0.00 C ATOM 321 NH1 ARG A 20 72.573 -11.086 25.401 1.00 0.00 N ATOM 322 NH2 ARG A 20 72.211 -9.348 26.801 1.00 0.00 N ATOM 0 H ARG A 20 77.766 -8.220 26.960 1.00 0.00 H new ATOM 0 HA ARG A 20 78.673 -8.823 24.322 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.877 -8.183 25.391 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.201 -8.921 23.835 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.361 -10.831 24.983 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.034 -10.093 26.538 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.919 -10.989 24.512 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.312 -11.814 26.007 1.00 0.00 H new ATOM 0 HE ARG A 20 74.684 -9.201 26.863 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.218 -11.698 24.901 1.00 0.00 H new ATOM 0 HH12 ARG A 20 71.566 -11.224 25.312 1.00 0.00 H new ATOM 0 HH21 ARG A 20 72.573 -8.601 27.394 1.00 0.00 H new ATOM 0 HH22 ARG A 20 71.204 -9.486 26.712 1.00 0.00 H new ATOM 336 N ALA A 21 77.398 -5.818 24.755 1.00 0.00 N ATOM 337 CA ALA A 21 77.288 -4.487 24.092 1.00 0.00 C ATOM 338 C ALA A 21 78.689 -3.905 23.884 1.00 0.00 C ATOM 339 O ALA A 21 79.029 -3.451 22.810 1.00 0.00 O ATOM 340 CB ALA A 21 76.442 -3.549 24.974 1.00 0.00 C ATOM 0 H ALA A 21 77.074 -5.850 25.722 1.00 0.00 H new ATOM 0 HA ALA A 21 76.804 -4.593 23.121 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.359 -2.574 24.493 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.447 -3.974 25.107 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.921 -3.434 25.947 1.00 0.00 H new ATOM 346 N MET A 22 79.502 -3.917 24.902 1.00 0.00 N ATOM 347 CA MET A 22 80.877 -3.366 24.753 1.00 0.00 C ATOM 348 C MET A 22 81.627 -4.159 23.689 1.00 0.00 C ATOM 349 O MET A 22 82.357 -3.609 22.890 1.00 0.00 O ATOM 350 CB MET A 22 81.617 -3.472 26.084 1.00 0.00 C ATOM 351 CG MET A 22 80.978 -2.526 27.100 1.00 0.00 C ATOM 352 SD MET A 22 82.026 -2.431 28.573 1.00 0.00 S ATOM 353 CE MET A 22 81.756 -4.118 29.171 1.00 0.00 C ATOM 0 H MET A 22 79.276 -4.283 25.827 1.00 0.00 H new ATOM 0 HA MET A 22 80.819 -2.319 24.454 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.580 -4.497 26.452 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.669 -3.220 25.948 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.854 -1.535 26.663 1.00 0.00 H new ATOM 0 HG3 MET A 22 79.984 -2.882 27.370 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.027 -4.178 30.225 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.706 -4.383 29.051 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.373 -4.810 28.598 1.00 0.00 H new ATOM 363 N ALA A 23 81.450 -5.450 23.667 1.00 0.00 N ATOM 364 CA ALA A 23 82.153 -6.265 22.641 1.00 0.00 C ATOM 365 C ALA A 23 81.761 -5.766 21.251 1.00 0.00 C ATOM 366 O ALA A 23 82.601 -5.515 20.410 1.00 0.00 O ATOM 367 CB ALA A 23 81.757 -7.735 22.794 1.00 0.00 C ATOM 0 H ALA A 23 80.854 -5.972 24.310 1.00 0.00 H new ATOM 0 HA ALA A 23 83.231 -6.171 22.772 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.273 -8.331 22.041 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.036 -8.085 23.788 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.680 -7.837 22.662 1.00 0.00 H new ATOM 373 N SER A 24 80.490 -5.614 21.006 1.00 0.00 N ATOM 374 CA SER A 24 80.038 -5.123 19.675 1.00 0.00 C ATOM 375 C SER A 24 80.420 -3.648 19.501 1.00 0.00 C ATOM 376 O SER A 24 80.734 -3.201 18.417 1.00 0.00 O ATOM 377 CB SER A 24 78.520 -5.283 19.569 1.00 0.00 C ATOM 378 OG SER A 24 78.076 -4.784 18.311 1.00 0.00 O ATOM 0 H SER A 24 79.743 -5.809 21.672 1.00 0.00 H new ATOM 0 HA SER A 24 80.523 -5.705 18.891 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.246 -6.333 19.673 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.029 -4.744 20.380 1.00 0.00 H new ATOM 0 HG SER A 24 77.104 -4.888 18.242 1.00 0.00 H new ATOM 384 N ASP A 25 80.374 -2.887 20.560 1.00 0.00 N ATOM 385 CA ASP A 25 80.715 -1.438 20.457 1.00 0.00 C ATOM 386 C ASP A 25 82.151 -1.258 19.958 1.00 0.00 C ATOM 387 O ASP A 25 82.427 -0.390 19.153 1.00 0.00 O ATOM 388 CB ASP A 25 80.570 -0.790 21.832 1.00 0.00 C ATOM 389 CG ASP A 25 80.691 0.729 21.691 1.00 0.00 C ATOM 390 OD1 ASP A 25 81.113 1.175 20.635 1.00 0.00 O ATOM 391 OD2 ASP A 25 80.358 1.423 22.639 1.00 0.00 O ATOM 0 H ASP A 25 80.115 -3.206 21.494 1.00 0.00 H new ATOM 0 HA ASP A 25 80.037 -0.965 19.747 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.606 -1.050 22.270 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.339 -1.166 22.507 1.00 0.00 H new ATOM 396 N PHE A 26 83.068 -2.068 20.433 1.00 0.00 N ATOM 397 CA PHE A 26 84.499 -1.957 19.995 1.00 0.00 C ATOM 398 C PHE A 26 84.901 -3.184 19.167 1.00 0.00 C ATOM 399 O PHE A 26 86.032 -3.312 18.742 1.00 0.00 O ATOM 400 CB PHE A 26 85.389 -1.845 21.235 1.00 0.00 C ATOM 401 CG PHE A 26 85.088 -0.544 21.940 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.736 0.632 21.543 1.00 0.00 C ATOM 403 CD2 PHE A 26 84.159 -0.510 22.988 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.456 1.841 22.193 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.878 0.700 23.637 1.00 0.00 C ATOM 406 CZ PHE A 26 84.528 1.874 23.240 1.00 0.00 C ATOM 0 H PHE A 26 82.886 -2.808 21.111 1.00 0.00 H new ATOM 0 HA PHE A 26 84.621 -1.071 19.373 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.210 -2.686 21.904 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.440 -1.884 20.949 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.452 0.607 20.735 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.659 -1.417 23.296 1.00 0.00 H new ATOM 0 HE1 PHE A 26 85.956 2.748 21.886 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.160 0.726 24.443 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.313 2.806 23.742 1.00 0.00 H new ATOM 416 N ASN A 27 83.982 -4.081 18.927 1.00 0.00 N ATOM 417 CA ASN A 27 84.301 -5.293 18.113 1.00 0.00 C ATOM 418 C ASN A 27 85.466 -6.055 18.745 1.00 0.00 C ATOM 419 O ASN A 27 86.404 -6.435 18.072 1.00 0.00 O ATOM 420 CB ASN A 27 84.677 -4.880 16.687 1.00 0.00 C ATOM 421 CG ASN A 27 83.591 -3.960 16.125 1.00 0.00 C ATOM 422 OD1 ASN A 27 83.885 -2.918 15.574 1.00 0.00 O ATOM 423 ND2 ASN A 27 82.340 -4.305 16.244 1.00 0.00 N ATOM 0 H ASN A 27 83.020 -4.027 19.261 1.00 0.00 H new ATOM 0 HA ASN A 27 83.422 -5.937 18.083 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.640 -4.369 16.686 1.00 0.00 H new ATOM 0 HB3 ASN A 27 84.784 -5.763 16.057 1.00 0.00 H new ATOM 0 HD21 ASN A 27 81.607 -3.700 15.874 1.00 0.00 H new ATOM 0 HD22 ASN A 27 82.094 -5.180 16.707 1.00 0.00 H new ATOM 430 N LEU A 28 85.412 -6.287 20.031 1.00 0.00 N ATOM 431 CA LEU A 28 86.511 -7.033 20.723 1.00 0.00 C ATOM 432 C LEU A 28 85.954 -8.375 21.210 1.00 0.00 C ATOM 433 O LEU A 28 84.775 -8.491 21.471 1.00 0.00 O ATOM 434 CB LEU A 28 86.979 -6.205 21.927 1.00 0.00 C ATOM 435 CG LEU A 28 87.542 -4.860 21.451 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.706 -3.930 22.658 1.00 0.00 C ATOM 437 CD2 LEU A 28 88.908 -5.066 20.769 1.00 0.00 C ATOM 0 H LEU A 28 84.648 -5.990 20.638 1.00 0.00 H new ATOM 0 HA LEU A 28 87.348 -7.204 20.046 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.146 -6.039 22.610 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.742 -6.752 22.481 1.00 0.00 H new ATOM 0 HG LEU A 28 86.854 -4.417 20.731 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.106 -2.972 22.327 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.737 -3.775 23.132 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.392 -4.382 23.375 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.297 -4.104 20.436 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.605 -5.513 21.478 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.790 -5.727 19.910 1.00 0.00 H new ATOM 449 N PRO A 29 86.781 -9.388 21.345 1.00 0.00 N ATOM 450 CA PRO A 29 86.312 -10.722 21.822 1.00 0.00 C ATOM 451 C PRO A 29 85.738 -10.640 23.251 1.00 0.00 C ATOM 452 O PRO A 29 86.182 -9.840 24.050 1.00 0.00 O ATOM 453 CB PRO A 29 87.576 -11.608 21.781 1.00 0.00 C ATOM 454 CG PRO A 29 88.730 -10.653 21.758 1.00 0.00 C ATOM 455 CD PRO A 29 88.227 -9.391 21.057 1.00 0.00 C ATOM 0 HA PRO A 29 85.505 -11.118 21.206 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.625 -12.263 22.651 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.578 -12.249 20.899 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.069 -10.428 22.769 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.579 -11.082 21.226 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.715 -8.496 21.444 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.422 -9.423 19.985 1.00 0.00 H new ATOM 463 N PRO A 30 84.760 -11.456 23.574 1.00 0.00 N ATOM 464 CA PRO A 30 84.142 -11.451 24.926 1.00 0.00 C ATOM 465 C PRO A 30 85.188 -11.306 26.033 1.00 0.00 C ATOM 466 O PRO A 30 84.964 -10.678 27.044 1.00 0.00 O ATOM 467 CB PRO A 30 83.441 -12.818 25.027 1.00 0.00 C ATOM 468 CG PRO A 30 83.219 -13.281 23.611 1.00 0.00 C ATOM 469 CD PRO A 30 84.141 -12.460 22.692 1.00 0.00 C ATOM 0 HA PRO A 30 83.461 -10.609 25.053 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.055 -13.531 25.578 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.495 -12.732 25.561 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.438 -14.345 23.519 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.176 -13.145 23.325 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.895 -13.092 22.223 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.577 -11.986 21.889 1.00 0.00 H new ATOM 477 N VAL A 31 86.317 -11.910 25.853 1.00 0.00 N ATOM 478 CA VAL A 31 87.372 -11.846 26.897 1.00 0.00 C ATOM 479 C VAL A 31 87.662 -10.400 27.275 1.00 0.00 C ATOM 480 O VAL A 31 87.694 -10.050 28.438 1.00 0.00 O ATOM 481 CB VAL A 31 88.645 -12.507 26.350 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.857 -12.198 27.245 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.434 -14.022 26.291 1.00 0.00 C ATOM 0 H VAL A 31 86.561 -12.451 25.023 1.00 0.00 H new ATOM 0 HA VAL A 31 87.031 -12.370 27.790 1.00 0.00 H new ATOM 0 HB VAL A 31 88.843 -12.111 25.354 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.745 -12.679 26.834 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.014 -11.120 27.286 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.673 -12.576 28.251 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.334 -14.500 25.903 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.225 -14.400 27.292 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.593 -14.247 25.636 1.00 0.00 H new ATOM 493 N VAL A 32 87.891 -9.556 26.321 1.00 0.00 N ATOM 494 CA VAL A 32 88.194 -8.147 26.674 1.00 0.00 C ATOM 495 C VAL A 32 86.958 -7.496 27.291 1.00 0.00 C ATOM 496 O VAL A 32 87.029 -6.837 28.313 1.00 0.00 O ATOM 497 CB VAL A 32 88.616 -7.379 25.420 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.894 -5.912 25.781 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.883 -8.013 24.837 1.00 0.00 C ATOM 0 H VAL A 32 87.883 -9.773 25.324 1.00 0.00 H new ATOM 0 HA VAL A 32 89.010 -8.123 27.397 1.00 0.00 H new ATOM 0 HB VAL A 32 87.815 -7.422 24.682 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.194 -5.368 24.886 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.991 -5.462 26.194 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.694 -5.864 26.520 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.185 -7.467 23.943 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.684 -7.971 25.576 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.683 -9.052 24.577 1.00 0.00 H new ATOM 509 N ALA A 33 85.824 -7.676 26.678 1.00 0.00 N ATOM 510 CA ALA A 33 84.581 -7.068 27.222 1.00 0.00 C ATOM 511 C ALA A 33 84.213 -7.734 28.551 1.00 0.00 C ATOM 512 O ALA A 33 83.825 -7.078 29.497 1.00 0.00 O ATOM 513 CB ALA A 33 83.444 -7.264 26.215 1.00 0.00 C ATOM 0 H ALA A 33 85.704 -8.219 25.823 1.00 0.00 H new ATOM 0 HA ALA A 33 84.742 -6.003 27.392 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.529 -6.820 26.608 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.705 -6.782 25.273 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.287 -8.329 26.046 1.00 0.00 H new ATOM 519 N LYS A 34 84.331 -9.032 28.634 1.00 0.00 N ATOM 520 CA LYS A 34 83.983 -9.732 29.904 1.00 0.00 C ATOM 521 C LYS A 34 84.873 -9.226 31.035 1.00 0.00 C ATOM 522 O LYS A 34 84.443 -9.096 32.165 1.00 0.00 O ATOM 523 CB LYS A 34 84.188 -11.244 29.748 1.00 0.00 C ATOM 524 CG LYS A 34 83.140 -11.838 28.782 1.00 0.00 C ATOM 525 CD LYS A 34 81.850 -12.215 29.543 1.00 0.00 C ATOM 526 CE LYS A 34 81.970 -13.627 30.127 1.00 0.00 C ATOM 527 NZ LYS A 34 82.100 -14.607 29.014 1.00 0.00 N ATOM 0 H LYS A 34 84.653 -9.637 27.878 1.00 0.00 H new ATOM 0 HA LYS A 34 82.938 -9.529 30.137 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.191 -11.443 29.372 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.110 -11.729 30.721 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.909 -11.116 27.999 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.550 -12.720 28.291 1.00 0.00 H new ATOM 0 HD2 LYS A 34 81.669 -11.497 30.343 1.00 0.00 H new ATOM 0 HD3 LYS A 34 80.994 -12.164 28.870 1.00 0.00 H new ATOM 0 HE2 LYS A 34 82.837 -13.689 30.785 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.093 -13.859 30.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 81.657 -15.507 29.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.627 -14.234 28.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 83.107 -14.766 28.807 1.00 0.00 H new ATOM 541 N GLU A 35 86.120 -8.968 30.753 1.00 0.00 N ATOM 542 CA GLU A 35 87.034 -8.504 31.830 1.00 0.00 C ATOM 543 C GLU A 35 86.559 -7.165 32.406 1.00 0.00 C ATOM 544 O GLU A 35 86.607 -6.951 33.602 1.00 0.00 O ATOM 545 CB GLU A 35 88.450 -8.349 31.272 1.00 0.00 C ATOM 546 CG GLU A 35 89.446 -8.152 32.423 1.00 0.00 C ATOM 547 CD GLU A 35 89.371 -6.708 32.933 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.143 -5.823 32.123 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.545 -6.510 34.125 1.00 0.00 O ATOM 0 H GLU A 35 86.542 -9.058 29.829 1.00 0.00 H new ATOM 0 HA GLU A 35 87.033 -9.246 32.629 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.721 -9.232 30.692 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.492 -7.497 30.593 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.221 -8.846 33.233 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.457 -8.375 32.083 1.00 0.00 H new ATOM 556 N ILE A 36 86.086 -6.264 31.583 1.00 0.00 N ATOM 557 CA ILE A 36 85.616 -4.962 32.131 1.00 0.00 C ATOM 558 C ILE A 36 84.478 -5.238 33.113 1.00 0.00 C ATOM 559 O ILE A 36 84.390 -4.632 34.162 1.00 0.00 O ATOM 560 CB ILE A 36 85.127 -4.059 30.991 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.285 -3.806 30.016 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.647 -2.720 31.564 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.816 -2.900 28.872 1.00 0.00 C ATOM 0 H ILE A 36 86.007 -6.373 30.572 1.00 0.00 H new ATOM 0 HA ILE A 36 86.432 -4.452 32.643 1.00 0.00 H new ATOM 0 HB ILE A 36 84.303 -4.546 30.469 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.119 -3.341 30.541 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.648 -4.753 29.616 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.300 -2.080 30.752 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.829 -2.896 32.263 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.470 -2.231 32.085 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.643 -2.725 28.184 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.996 -3.382 28.339 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.474 -1.948 29.278 1.00 0.00 H new ATOM 575 N VAL A 37 83.619 -6.165 32.793 1.00 0.00 N ATOM 576 CA VAL A 37 82.503 -6.492 33.723 1.00 0.00 C ATOM 577 C VAL A 37 83.084 -7.071 35.013 1.00 0.00 C ATOM 578 O VAL A 37 82.630 -6.778 36.103 1.00 0.00 O ATOM 579 CB VAL A 37 81.571 -7.520 33.071 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.561 -8.030 34.103 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.823 -6.868 31.904 1.00 0.00 C ATOM 0 H VAL A 37 83.641 -6.709 31.930 1.00 0.00 H new ATOM 0 HA VAL A 37 81.935 -5.589 33.947 1.00 0.00 H new ATOM 0 HB VAL A 37 82.163 -8.357 32.701 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.901 -8.760 33.636 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.092 -8.499 34.931 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.970 -7.194 34.478 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.161 -7.600 31.442 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.234 -6.028 32.273 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.541 -6.511 31.166 1.00 0.00 H new ATOM 591 N ALA A 38 84.094 -7.884 34.894 1.00 0.00 N ATOM 592 CA ALA A 38 84.717 -8.481 36.105 1.00 0.00 C ATOM 593 C ALA A 38 85.291 -7.365 36.980 1.00 0.00 C ATOM 594 O ALA A 38 85.300 -7.454 38.190 1.00 0.00 O ATOM 595 CB ALA A 38 85.853 -9.417 35.687 1.00 0.00 C ATOM 0 H ALA A 38 84.516 -8.161 34.008 1.00 0.00 H new ATOM 0 HA ALA A 38 83.964 -9.040 36.661 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.309 -9.854 36.575 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.456 -10.211 35.054 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.604 -8.853 35.133 1.00 0.00 H new ATOM 601 N SER A 39 85.784 -6.321 36.378 1.00 0.00 N ATOM 602 CA SER A 39 86.374 -5.214 37.176 1.00 0.00 C ATOM 603 C SER A 39 85.261 -4.350 37.785 1.00 0.00 C ATOM 604 O SER A 39 85.448 -3.722 38.810 1.00 0.00 O ATOM 605 CB SER A 39 87.255 -4.362 36.265 1.00 0.00 C ATOM 606 OG SER A 39 88.297 -5.171 35.737 1.00 0.00 O ATOM 0 H SER A 39 85.804 -6.187 35.367 1.00 0.00 H new ATOM 0 HA SER A 39 86.974 -5.628 37.987 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.660 -3.939 35.455 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.675 -3.525 36.823 1.00 0.00 H new ATOM 0 HG SER A 39 88.069 -5.444 34.824 1.00 0.00 H new ATOM 612 N CYS A 40 84.104 -4.314 37.174 1.00 0.00 N ATOM 613 CA CYS A 40 82.990 -3.495 37.737 1.00 0.00 C ATOM 614 C CYS A 40 82.312 -4.290 38.855 1.00 0.00 C ATOM 615 O CYS A 40 81.581 -5.230 38.615 1.00 0.00 O ATOM 616 CB CYS A 40 81.981 -3.166 36.637 1.00 0.00 C ATOM 617 SG CYS A 40 80.550 -2.333 37.368 1.00 0.00 S ATOM 0 H CYS A 40 83.884 -4.815 36.313 1.00 0.00 H new ATOM 0 HA CYS A 40 83.381 -2.560 38.138 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.442 -2.528 35.884 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.666 -4.079 36.132 1.00 0.00 H new ATOM 0 HG CYS A 40 79.464 -2.743 36.784 1.00 0.00 H new ATOM 622 N ASP A 41 82.570 -3.924 40.078 1.00 0.00 N ATOM 623 CA ASP A 41 81.974 -4.654 41.230 1.00 0.00 C ATOM 624 C ASP A 41 80.447 -4.589 41.174 1.00 0.00 C ATOM 625 O ASP A 41 79.763 -5.481 41.640 1.00 0.00 O ATOM 626 CB ASP A 41 82.461 -4.009 42.526 1.00 0.00 C ATOM 627 CG ASP A 41 83.957 -4.291 42.703 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.461 -5.164 42.016 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.573 -3.627 43.521 1.00 0.00 O ATOM 0 H ASP A 41 83.174 -3.142 40.331 1.00 0.00 H new ATOM 0 HA ASP A 41 82.279 -5.699 41.189 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.283 -2.934 42.500 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.902 -4.404 43.374 1.00 0.00 H new ATOM 634 N LYS A 42 79.904 -3.540 40.627 1.00 0.00 N ATOM 635 CA LYS A 42 78.424 -3.427 40.568 1.00 0.00 C ATOM 636 C LYS A 42 77.860 -4.439 39.568 1.00 0.00 C ATOM 637 O LYS A 42 76.851 -5.067 39.817 1.00 0.00 O ATOM 638 CB LYS A 42 78.044 -2.006 40.138 1.00 0.00 C ATOM 639 CG LYS A 42 78.461 -1.015 41.229 1.00 0.00 C ATOM 640 CD LYS A 42 77.943 0.378 40.865 1.00 0.00 C ATOM 641 CE LYS A 42 78.397 1.393 41.917 1.00 0.00 C ATOM 642 NZ LYS A 42 79.885 1.468 41.931 1.00 0.00 N ATOM 0 H LYS A 42 80.419 -2.759 40.220 1.00 0.00 H new ATOM 0 HA LYS A 42 78.006 -3.636 41.553 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.534 -1.756 39.197 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.970 -1.942 39.964 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.058 -1.326 42.193 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.546 -0.999 41.327 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.315 0.669 39.882 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.855 0.367 40.804 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.976 2.374 41.696 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.028 1.102 42.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 80.183 2.361 42.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 80.268 0.668 42.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 80.244 1.428 40.956 1.00 0.00 H new ATOM 656 N CYS A 43 78.500 -4.613 38.440 1.00 0.00 N ATOM 657 CA CYS A 43 77.986 -5.594 37.434 1.00 0.00 C ATOM 658 C CYS A 43 78.554 -6.984 37.733 1.00 0.00 C ATOM 659 O CYS A 43 77.956 -7.992 37.408 1.00 0.00 O ATOM 660 CB CYS A 43 78.409 -5.162 36.029 1.00 0.00 C ATOM 661 SG CYS A 43 77.544 -3.635 35.576 1.00 0.00 S ATOM 0 H CYS A 43 79.352 -4.121 38.172 1.00 0.00 H new ATOM 0 HA CYS A 43 76.898 -5.627 37.490 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.487 -5.005 35.995 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.179 -5.949 35.311 1.00 0.00 H new ATOM 0 HG CYS A 43 77.907 -3.268 34.383 1.00 0.00 H new ATOM 666 N GLN A 44 79.708 -7.043 38.345 1.00 0.00 N ATOM 667 CA GLN A 44 80.325 -8.362 38.657 1.00 0.00 C ATOM 668 C GLN A 44 79.569 -9.008 39.814 1.00 0.00 C ATOM 669 O GLN A 44 78.852 -9.973 39.636 1.00 0.00 O ATOM 670 CB GLN A 44 81.790 -8.153 39.056 1.00 0.00 C ATOM 671 CG GLN A 44 82.493 -9.507 39.144 1.00 0.00 C ATOM 672 CD GLN A 44 83.952 -9.293 39.545 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.903 -9.745 38.774 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.230 -8.705 40.570 1.00 0.00 N ATOM 0 H GLN A 44 80.249 -6.231 38.642 1.00 0.00 H new ATOM 0 HA GLN A 44 80.275 -9.010 37.782 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.290 -7.519 38.324 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.847 -7.639 40.015 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.993 -10.143 39.874 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.439 -10.021 38.184 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.487 -8.352 41.173 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.207 -8.564 40.828 1.00 0.00 H new ATOM 844 N PHE B 1 93.641 -14.198 21.240 1.00 0.00 N ATOM 845 CA PHE B 1 92.840 -14.022 22.480 1.00 0.00 C ATOM 846 C PHE B 1 92.378 -15.393 22.988 1.00 0.00 C ATOM 847 O PHE B 1 92.832 -15.878 24.004 1.00 0.00 O ATOM 848 CB PHE B 1 91.605 -13.162 22.178 1.00 0.00 C ATOM 849 CG PHE B 1 91.993 -11.704 22.014 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.442 -11.236 20.774 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.881 -10.817 23.099 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.781 -9.887 20.615 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.224 -9.468 22.936 1.00 0.00 C ATOM 854 CZ PHE B 1 92.672 -9.005 21.695 1.00 0.00 C ATOM 0 H1 PHE B 1 93.571 -13.340 20.656 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.636 -14.366 21.491 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.277 -15.012 20.704 1.00 0.00 H new ATOM 0 HA PHE B 1 93.453 -13.533 23.237 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.121 -13.519 21.269 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.880 -13.262 22.986 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.527 -11.916 19.939 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.531 -11.175 24.056 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.127 -9.527 19.657 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.142 -8.786 23.769 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.934 -7.965 21.570 1.00 0.00 H new ATOM 866 N LEU B 2 91.460 -16.003 22.291 1.00 0.00 N ATOM 867 CA LEU B 2 90.927 -17.327 22.725 1.00 0.00 C ATOM 868 C LEU B 2 91.960 -18.440 22.498 1.00 0.00 C ATOM 869 O LEU B 2 91.889 -19.488 23.109 1.00 0.00 O ATOM 870 CB LEU B 2 89.679 -17.641 21.898 1.00 0.00 C ATOM 871 CG LEU B 2 88.755 -16.417 21.870 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.445 -16.773 21.159 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.457 -15.963 23.304 1.00 0.00 C ATOM 0 H LEU B 2 91.052 -15.638 21.431 1.00 0.00 H new ATOM 0 HA LEU B 2 90.694 -17.281 23.789 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.964 -17.917 20.883 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.154 -18.495 22.325 1.00 0.00 H new ATOM 0 HG LEU B 2 89.247 -15.608 21.331 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.792 -15.901 21.142 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.659 -17.087 20.137 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.951 -17.585 21.692 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.800 -15.093 23.281 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.969 -16.772 23.848 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.389 -15.701 23.804 1.00 0.00 H new ATOM 885 N ASP B 3 92.898 -18.243 21.610 1.00 0.00 N ATOM 886 CA ASP B 3 93.900 -19.322 21.339 1.00 0.00 C ATOM 887 C ASP B 3 94.825 -19.538 22.543 1.00 0.00 C ATOM 888 O ASP B 3 94.833 -20.589 23.151 1.00 0.00 O ATOM 889 CB ASP B 3 94.755 -18.933 20.129 1.00 0.00 C ATOM 890 CG ASP B 3 95.602 -20.132 19.699 1.00 0.00 C ATOM 891 OD1 ASP B 3 95.499 -21.164 20.340 1.00 0.00 O ATOM 892 OD2 ASP B 3 96.340 -20.001 18.740 1.00 0.00 O ATOM 0 H ASP B 3 93.016 -17.390 21.063 1.00 0.00 H new ATOM 0 HA ASP B 3 93.355 -20.246 21.144 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.116 -18.611 19.307 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.399 -18.090 20.381 1.00 0.00 H new ATOM 897 N GLY B 4 95.614 -18.559 22.881 1.00 0.00 N ATOM 898 CA GLY B 4 96.552 -18.722 24.031 1.00 0.00 C ATOM 899 C GLY B 4 95.767 -18.955 25.322 1.00 0.00 C ATOM 900 O GLY B 4 96.139 -19.761 26.151 1.00 0.00 O ATOM 0 H GLY B 4 95.652 -17.653 22.413 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.222 -19.562 23.847 1.00 0.00 H new ATOM 0 HA3 GLY B 4 97.175 -17.833 24.131 1.00 0.00 H new ATOM 904 N ILE B 5 94.686 -18.252 25.501 1.00 0.00 N ATOM 905 CA ILE B 5 93.885 -18.428 26.742 1.00 0.00 C ATOM 906 C ILE B 5 93.400 -19.872 26.853 1.00 0.00 C ATOM 907 O ILE B 5 93.395 -20.445 27.924 1.00 0.00 O ATOM 908 CB ILE B 5 92.685 -17.485 26.705 1.00 0.00 C ATOM 909 CG1 ILE B 5 93.198 -16.045 26.784 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.769 -17.768 27.898 1.00 0.00 C ATOM 911 CD1 ILE B 5 92.061 -15.055 26.524 1.00 0.00 C ATOM 0 H ILE B 5 94.322 -17.563 24.842 1.00 0.00 H new ATOM 0 HA ILE B 5 94.507 -18.197 27.607 1.00 0.00 H new ATOM 0 HB ILE B 5 92.122 -17.634 25.784 1.00 0.00 H new ATOM 0 HG12 ILE B 5 93.631 -15.861 27.767 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.992 -15.895 26.053 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.914 -17.093 27.868 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.419 -18.799 27.852 1.00 0.00 H new ATOM 0 HG23 ILE B 5 92.321 -17.614 28.825 1.00 0.00 H new ATOM 0 HD11 ILE B 5 92.445 -14.036 26.584 1.00 0.00 H new ATOM 0 HD12 ILE B 5 91.647 -15.229 25.531 1.00 0.00 H new ATOM 0 HD13 ILE B 5 91.280 -15.193 27.272 1.00 0.00 H new ATOM 923 N ASP B 6 92.992 -20.472 25.767 1.00 0.00 N ATOM 924 CA ASP B 6 92.511 -21.880 25.855 1.00 0.00 C ATOM 925 C ASP B 6 93.611 -22.721 26.489 1.00 0.00 C ATOM 926 O ASP B 6 93.378 -23.472 27.415 1.00 0.00 O ATOM 927 CB ASP B 6 92.190 -22.417 24.457 1.00 0.00 C ATOM 928 CG ASP B 6 91.471 -23.762 24.579 1.00 0.00 C ATOM 929 OD1 ASP B 6 91.368 -24.259 25.690 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.030 -24.271 23.563 1.00 0.00 O ATOM 0 H ASP B 6 92.971 -20.056 24.836 1.00 0.00 H new ATOM 0 HA ASP B 6 91.604 -21.925 26.458 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.564 -21.706 23.918 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.108 -22.534 23.881 1.00 0.00 H new ATOM 935 N LYS B 7 94.816 -22.590 26.012 1.00 0.00 N ATOM 936 CA LYS B 7 95.931 -23.373 26.611 1.00 0.00 C ATOM 937 C LYS B 7 96.193 -22.865 28.026 1.00 0.00 C ATOM 938 O LYS B 7 96.374 -23.634 28.952 1.00 0.00 O ATOM 939 CB LYS B 7 97.198 -23.208 25.764 1.00 0.00 C ATOM 940 CG LYS B 7 98.272 -24.183 26.249 1.00 0.00 C ATOM 941 CD LYS B 7 99.583 -23.927 25.492 1.00 0.00 C ATOM 942 CE LYS B 7 99.387 -24.170 23.987 1.00 0.00 C ATOM 943 NZ LYS B 7 100.689 -24.564 23.376 1.00 0.00 N ATOM 0 H LYS B 7 95.076 -21.979 25.238 1.00 0.00 H new ATOM 0 HA LYS B 7 95.659 -24.428 26.641 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.972 -23.394 24.714 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.564 -22.184 25.835 1.00 0.00 H new ATOM 0 HG2 LYS B 7 98.430 -24.062 27.321 1.00 0.00 H new ATOM 0 HG3 LYS B 7 97.943 -25.210 26.090 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.915 -22.903 25.662 1.00 0.00 H new ATOM 0 HD3 LYS B 7 100.365 -24.583 25.874 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.646 -24.953 23.827 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.006 -23.268 23.508 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 100.559 -24.729 22.357 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 101.383 -23.803 23.517 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 101.034 -25.435 23.826 1.00 0.00 H new ATOM 957 N ALA B 8 96.202 -21.574 28.206 1.00 0.00 N ATOM 958 CA ALA B 8 96.444 -21.019 29.563 1.00 0.00 C ATOM 959 C ALA B 8 95.306 -21.449 30.497 1.00 0.00 C ATOM 960 O ALA B 8 95.514 -21.697 31.667 1.00 0.00 O ATOM 961 CB ALA B 8 96.517 -19.487 29.497 1.00 0.00 C ATOM 0 H ALA B 8 96.052 -20.881 27.472 1.00 0.00 H new ATOM 0 HA ALA B 8 97.391 -21.399 29.947 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.695 -19.088 30.496 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.332 -19.190 28.837 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.576 -19.094 29.111 1.00 0.00 H new ATOM 967 N GLN B 9 94.103 -21.531 29.988 1.00 0.00 N ATOM 968 CA GLN B 9 92.958 -21.935 30.855 1.00 0.00 C ATOM 969 C GLN B 9 93.256 -23.301 31.479 1.00 0.00 C ATOM 970 O GLN B 9 92.998 -23.531 32.645 1.00 0.00 O ATOM 971 CB GLN B 9 91.675 -22.015 30.012 1.00 0.00 C ATOM 972 CG GLN B 9 90.445 -22.002 30.927 1.00 0.00 C ATOM 973 CD GLN B 9 90.403 -23.290 31.752 1.00 0.00 C ATOM 974 OE1 GLN B 9 90.614 -24.440 31.170 1.00 0.00 O flip ATOM 975 NE2 GLN B 9 90.181 -23.249 32.945 1.00 0.00 N flip ATOM 0 H GLN B 9 93.866 -21.337 29.015 1.00 0.00 H new ATOM 0 HA GLN B 9 92.818 -21.198 31.645 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.632 -21.174 29.319 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.681 -22.924 29.410 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.481 -21.136 31.588 1.00 0.00 H new ATOM 0 HG3 GLN B 9 89.537 -21.911 30.331 1.00 0.00 H new ATOM 0 HE21 GLN B 9 90.016 -22.352 33.402 1.00 0.00 H new ATOM 0 HE22 GLN B 9 90.160 -24.111 33.490 1.00 0.00 H new ATOM 984 N GLU B 10 93.821 -24.204 30.720 1.00 0.00 N ATOM 985 CA GLU B 10 94.153 -25.543 31.289 1.00 0.00 C ATOM 986 C GLU B 10 95.129 -25.353 32.450 1.00 0.00 C ATOM 987 O GLU B 10 95.003 -25.974 33.487 1.00 0.00 O ATOM 988 CB GLU B 10 94.802 -26.418 30.209 1.00 0.00 C ATOM 989 CG GLU B 10 94.921 -27.859 30.719 1.00 0.00 C ATOM 990 CD GLU B 10 93.526 -28.483 30.832 1.00 0.00 C ATOM 991 OE1 GLU B 10 92.635 -28.027 30.132 1.00 0.00 O ATOM 992 OE2 GLU B 10 93.369 -29.401 31.624 1.00 0.00 O ATOM 0 H GLU B 10 94.065 -24.073 29.738 1.00 0.00 H new ATOM 0 HA GLU B 10 93.245 -26.031 31.642 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.204 -26.392 29.298 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.788 -26.029 29.955 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.539 -28.446 30.039 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.416 -27.872 31.690 1.00 0.00 H new ATOM 999 N GLU B 11 96.094 -24.484 32.290 1.00 0.00 N ATOM 1000 CA GLU B 11 97.067 -24.236 33.392 1.00 0.00 C ATOM 1001 C GLU B 11 96.313 -23.730 34.615 1.00 0.00 C ATOM 1002 O GLU B 11 96.581 -24.117 35.735 1.00 0.00 O ATOM 1003 CB GLU B 11 98.081 -23.182 32.931 1.00 0.00 C ATOM 1004 CG GLU B 11 99.152 -22.967 34.007 1.00 0.00 C ATOM 1005 CD GLU B 11 98.598 -22.088 35.133 1.00 0.00 C ATOM 1006 OE1 GLU B 11 97.592 -21.435 34.913 1.00 0.00 O ATOM 1007 OE2 GLU B 11 99.191 -22.085 36.198 1.00 0.00 O ATOM 0 H GLU B 11 96.249 -23.936 31.444 1.00 0.00 H new ATOM 0 HA GLU B 11 97.592 -25.157 33.648 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.550 -23.501 32.000 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.570 -22.242 32.724 1.00 0.00 H new ATOM 0 HG2 GLU B 11 99.472 -23.928 34.409 1.00 0.00 H new ATOM 0 HG3 GLU B 11 100.031 -22.497 33.567 1.00 0.00 H new ATOM 1014 N HIS B 12 95.363 -22.868 34.410 1.00 0.00 N ATOM 1015 CA HIS B 12 94.588 -22.347 35.563 1.00 0.00 C ATOM 1016 C HIS B 12 93.879 -23.500 36.268 1.00 0.00 C ATOM 1017 O HIS B 12 93.877 -23.598 37.473 1.00 0.00 O ATOM 1018 CB HIS B 12 93.536 -21.345 35.085 1.00 0.00 C ATOM 1019 CG HIS B 12 92.826 -20.821 36.297 1.00 0.00 C ATOM 1020 ND1 HIS B 12 93.013 -19.518 36.783 1.00 0.00 N ATOM 1021 CD2 HIS B 12 92.009 -21.448 37.204 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.329 -19.419 37.945 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.722 -20.564 38.218 1.00 0.00 N ATOM 0 H HIS B 12 95.090 -22.503 33.498 1.00 0.00 H new ATOM 0 HA HIS B 12 95.277 -21.854 36.249 1.00 0.00 H new ATOM 0 HB2 HIS B 12 94.006 -20.530 34.534 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.831 -21.824 34.406 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.651 -22.465 37.133 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.284 -18.534 38.562 1.00 0.00 H new ATOM 0 HE2 HIS B 12 91.144 -20.756 39.036 1.00 0.00 H new ATOM 1031 N GLU B 13 93.259 -24.367 35.524 1.00 0.00 N ATOM 1032 CA GLU B 13 92.534 -25.503 36.154 1.00 0.00 C ATOM 1033 C GLU B 13 93.506 -26.378 36.952 1.00 0.00 C ATOM 1034 O GLU B 13 93.209 -26.824 38.043 1.00 0.00 O ATOM 1035 CB GLU B 13 91.885 -26.343 35.051 1.00 0.00 C ATOM 1036 CG GLU B 13 90.928 -27.360 35.669 1.00 0.00 C ATOM 1037 CD GLU B 13 89.723 -26.626 36.263 1.00 0.00 C ATOM 1038 OE1 GLU B 13 89.201 -25.748 35.594 1.00 0.00 O ATOM 1039 OE2 GLU B 13 89.343 -26.953 37.376 1.00 0.00 O ATOM 0 H GLU B 13 93.222 -24.339 34.505 1.00 0.00 H new ATOM 0 HA GLU B 13 91.774 -25.115 36.832 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.345 -25.696 34.359 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.653 -26.857 34.474 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.598 -28.072 34.913 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.438 -27.932 36.444 1.00 0.00 H new ATOM 1046 N LYS B 14 94.654 -26.643 36.399 1.00 0.00 N ATOM 1047 CA LYS B 14 95.654 -27.511 37.087 1.00 0.00 C ATOM 1048 C LYS B 14 96.144 -26.920 38.414 1.00 0.00 C ATOM 1049 O LYS B 14 96.529 -27.654 39.302 1.00 0.00 O ATOM 1050 CB LYS B 14 96.858 -27.707 36.168 1.00 0.00 C ATOM 1051 CG LYS B 14 96.439 -28.541 34.951 1.00 0.00 C ATOM 1052 CD LYS B 14 97.590 -28.607 33.933 1.00 0.00 C ATOM 1053 CE LYS B 14 98.595 -29.689 34.339 1.00 0.00 C ATOM 1054 NZ LYS B 14 97.931 -31.022 34.304 1.00 0.00 N ATOM 0 H LYS B 14 94.948 -26.292 35.488 1.00 0.00 H new ATOM 0 HA LYS B 14 95.160 -28.457 37.309 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.244 -26.740 35.845 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.663 -28.208 36.706 1.00 0.00 H new ATOM 0 HG2 LYS B 14 96.165 -29.547 35.267 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.557 -28.102 34.486 1.00 0.00 H new ATOM 0 HD2 LYS B 14 97.195 -28.822 32.940 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.090 -27.640 33.875 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.450 -29.679 33.663 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.978 -29.488 35.339 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 98.636 -31.756 34.089 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 97.498 -31.218 35.229 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 97.195 -31.024 33.569 1.00 0.00 H new ATOM 1068 N TYR B 15 96.194 -25.614 38.553 1.00 0.00 N ATOM 1069 CA TYR B 15 96.739 -25.023 39.825 1.00 0.00 C ATOM 1070 C TYR B 15 95.903 -23.833 40.321 1.00 0.00 C ATOM 1071 O TYR B 15 96.163 -23.292 41.378 1.00 0.00 O ATOM 1072 CB TYR B 15 98.166 -24.544 39.534 1.00 0.00 C ATOM 1073 CG TYR B 15 98.947 -25.666 38.881 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.540 -26.655 39.674 1.00 0.00 C ATOM 1075 CD2 TYR B 15 99.078 -25.716 37.482 1.00 0.00 C ATOM 1076 CE1 TYR B 15 100.260 -27.696 39.076 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.799 -26.760 36.884 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.391 -27.750 37.680 1.00 0.00 C ATOM 1079 OH TYR B 15 101.103 -28.778 37.093 1.00 0.00 O ATOM 0 H TYR B 15 95.886 -24.939 37.853 1.00 0.00 H new ATOM 0 HA TYR B 15 96.712 -25.783 40.605 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.143 -23.673 38.880 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.654 -24.236 40.459 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.442 -26.615 40.749 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.624 -24.952 36.869 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.715 -28.459 39.690 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.898 -26.801 35.809 1.00 0.00 H new ATOM 0 HH TYR B 15 101.096 -28.667 36.119 1.00 0.00 H new ATOM 1089 N HIS B 16 94.937 -23.387 39.566 1.00 0.00 N ATOM 1090 CA HIS B 16 94.137 -22.202 40.002 1.00 0.00 C ATOM 1091 C HIS B 16 95.120 -21.084 40.327 1.00 0.00 C ATOM 1092 O HIS B 16 95.007 -20.403 41.328 1.00 0.00 O ATOM 1093 CB HIS B 16 93.301 -22.515 41.253 1.00 0.00 C ATOM 1094 CG HIS B 16 92.104 -23.372 40.912 1.00 0.00 C ATOM 1095 ND1 HIS B 16 90.929 -22.871 40.365 1.00 0.00 N ATOM 1096 CD2 HIS B 16 91.851 -24.713 41.102 1.00 0.00 C ATOM 1097 CE1 HIS B 16 90.034 -23.857 40.247 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.547 -25.012 40.684 1.00 0.00 N ATOM 0 H HIS B 16 94.666 -23.789 38.668 1.00 0.00 H new ATOM 0 HA HIS B 16 93.449 -21.918 39.206 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.921 -23.028 41.988 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.966 -21.585 41.712 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.552 -25.426 41.511 1.00 0.00 H new ATOM 0 HE1 HIS B 16 89.035 -23.737 39.853 1.00 0.00 H new ATOM 0 HE2 HIS B 16 90.085 -25.921 40.708 1.00 0.00 H new ATOM 1106 N SER B 17 96.109 -20.923 39.497 1.00 0.00 N ATOM 1107 CA SER B 17 97.140 -19.889 39.751 1.00 0.00 C ATOM 1108 C SER B 17 96.529 -18.490 39.659 1.00 0.00 C ATOM 1109 O SER B 17 95.510 -18.280 39.030 1.00 0.00 O ATOM 1110 CB SER B 17 98.255 -20.031 38.715 1.00 0.00 C ATOM 1111 OG SER B 17 97.729 -19.743 37.429 1.00 0.00 O ATOM 0 H SER B 17 96.246 -21.469 38.647 1.00 0.00 H new ATOM 0 HA SER B 17 97.544 -20.026 40.754 1.00 0.00 H new ATOM 0 HB2 SER B 17 99.074 -19.351 38.948 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.663 -21.041 38.737 1.00 0.00 H new ATOM 0 HG SER B 17 98.394 -19.968 36.746 1.00 0.00 H new ATOM 1117 N ASN B 18 97.155 -17.530 40.282 1.00 0.00 N ATOM 1118 CA ASN B 18 96.633 -16.138 40.238 1.00 0.00 C ATOM 1119 C ASN B 18 96.903 -15.537 38.860 1.00 0.00 C ATOM 1120 O ASN B 18 97.791 -15.967 38.151 1.00 0.00 O ATOM 1121 CB ASN B 18 97.338 -15.306 41.305 1.00 0.00 C ATOM 1122 CG ASN B 18 96.924 -15.801 42.688 1.00 0.00 C ATOM 1123 OD1 ASN B 18 95.916 -16.466 42.830 1.00 0.00 O ATOM 1124 ND2 ASN B 18 97.660 -15.499 43.719 1.00 0.00 N ATOM 0 H ASN B 18 98.011 -17.652 40.823 1.00 0.00 H new ATOM 0 HA ASN B 18 95.559 -16.141 40.426 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.419 -15.384 41.187 1.00 0.00 H new ATOM 0 HB3 ASN B 18 97.080 -14.253 41.191 1.00 0.00 H new ATOM 0 HD21 ASN B 18 97.391 -15.820 44.649 1.00 0.00 H new ATOM 0 HD22 ASN B 18 98.505 -14.941 43.596 1.00 0.00 H new ATOM 1131 N TRP B 19 96.143 -14.547 38.473 1.00 0.00 N ATOM 1132 CA TRP B 19 96.352 -13.922 37.137 1.00 0.00 C ATOM 1133 C TRP B 19 97.805 -13.463 37.004 1.00 0.00 C ATOM 1134 O TRP B 19 98.358 -13.433 35.923 1.00 0.00 O ATOM 1135 CB TRP B 19 95.396 -12.732 36.963 1.00 0.00 C ATOM 1136 CG TRP B 19 95.795 -11.597 37.852 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.256 -11.328 39.064 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.801 -10.571 37.618 1.00 0.00 C ATOM 1139 NE1 TRP B 19 95.857 -10.193 39.580 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.820 -9.693 38.726 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.686 -10.318 36.560 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.686 -8.602 38.782 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.563 -9.223 36.611 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.562 -8.366 37.720 1.00 0.00 C ATOM 0 H TRP B 19 95.386 -14.145 39.026 1.00 0.00 H new ATOM 0 HA TRP B 19 96.142 -14.655 36.358 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.401 -12.405 35.923 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.377 -13.041 37.195 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.483 -11.905 39.549 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.618 -9.777 40.480 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.693 -10.971 35.699 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.680 -7.945 39.639 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.242 -9.040 35.791 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.238 -7.524 37.753 1.00 0.00 H new ATOM 1155 N ARG B 20 98.433 -13.102 38.088 1.00 0.00 N ATOM 1156 CA ARG B 20 99.851 -12.645 37.999 1.00 0.00 C ATOM 1157 C ARG B 20 100.733 -13.777 37.466 1.00 0.00 C ATOM 1158 O ARG B 20 101.613 -13.563 36.657 1.00 0.00 O ATOM 1159 CB ARG B 20 100.341 -12.244 39.391 1.00 0.00 C ATOM 1160 CG ARG B 20 99.523 -11.060 39.908 1.00 0.00 C ATOM 1161 CD ARG B 20 100.023 -10.666 41.299 1.00 0.00 C ATOM 1162 NE ARG B 20 99.903 -11.838 42.214 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.535 -11.846 43.357 1.00 0.00 C ATOM 1164 NH1 ARG B 20 101.269 -10.826 43.707 1.00 0.00 N ATOM 1165 NH2 ARG B 20 100.437 -12.876 44.151 1.00 0.00 N ATOM 0 H ARG B 20 98.031 -13.103 39.026 1.00 0.00 H new ATOM 0 HA ARG B 20 99.909 -11.792 37.322 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.249 -13.087 40.075 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.397 -11.978 39.352 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.613 -10.216 39.225 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.466 -11.325 39.951 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.060 -10.336 41.246 1.00 0.00 H new ATOM 0 HD3 ARG B 20 99.441 -9.828 41.684 1.00 0.00 H new ATOM 0 HE ARG B 20 99.326 -12.635 41.946 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.350 -10.020 43.088 1.00 0.00 H new ATOM 0 HH12 ARG B 20 101.762 -10.835 44.600 1.00 0.00 H new ATOM 0 HH21 ARG B 20 99.866 -13.677 43.880 1.00 0.00 H new ATOM 0 HH22 ARG B 20 100.931 -12.881 45.043 1.00 0.00 H new ATOM 1179 N ALA B 21 100.499 -14.977 37.907 1.00 0.00 N ATOM 1180 CA ALA B 21 101.319 -16.121 37.424 1.00 0.00 C ATOM 1181 C ALA B 21 100.980 -16.404 35.955 1.00 0.00 C ATOM 1182 O ALA B 21 101.852 -16.537 35.118 1.00 0.00 O ATOM 1183 CB ALA B 21 101.024 -17.354 38.295 1.00 0.00 C ATOM 0 H ALA B 21 99.774 -15.218 38.583 1.00 0.00 H new ATOM 0 HA ALA B 21 102.380 -15.882 37.498 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.621 -18.197 37.947 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.275 -17.135 39.333 1.00 0.00 H new ATOM 0 HB3 ALA B 21 99.966 -17.605 38.223 1.00 0.00 H new ATOM 1189 N MET B 22 99.720 -16.500 35.639 1.00 0.00 N ATOM 1190 CA MET B 22 99.334 -16.771 34.228 1.00 0.00 C ATOM 1191 C MET B 22 99.847 -15.649 33.334 1.00 0.00 C ATOM 1192 O MET B 22 100.320 -15.880 32.239 1.00 0.00 O ATOM 1193 CB MET B 22 97.814 -16.860 34.113 1.00 0.00 C ATOM 1194 CG MET B 22 97.323 -18.097 34.859 1.00 0.00 C ATOM 1195 SD MET B 22 95.576 -18.368 34.478 1.00 0.00 S ATOM 1196 CE MET B 22 94.918 -16.933 35.361 1.00 0.00 C ATOM 0 H MET B 22 98.944 -16.403 36.294 1.00 0.00 H new ATOM 0 HA MET B 22 99.773 -17.718 33.913 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.353 -15.964 34.529 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.520 -16.913 33.065 1.00 0.00 H new ATOM 0 HG2 MET B 22 97.910 -18.968 34.569 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.457 -17.966 35.933 1.00 0.00 H new ATOM 0 HE1 MET B 22 93.858 -17.085 35.563 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.453 -16.809 36.303 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.047 -16.039 34.750 1.00 0.00 H new ATOM 1206 N ALA B 23 99.760 -14.431 33.790 1.00 0.00 N ATOM 1207 CA ALA B 23 100.247 -13.300 32.954 1.00 0.00 C ATOM 1208 C ALA B 23 101.725 -13.517 32.631 1.00 0.00 C ATOM 1209 O ALA B 23 102.146 -13.425 31.494 1.00 0.00 O ATOM 1210 CB ALA B 23 100.075 -11.987 33.717 1.00 0.00 C ATOM 0 H ALA B 23 99.376 -14.171 34.698 1.00 0.00 H new ATOM 0 HA ALA B 23 99.673 -13.253 32.029 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.432 -11.160 33.103 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.021 -11.837 33.950 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.649 -12.026 34.643 1.00 0.00 H new ATOM 1216 N SER B 24 102.515 -13.814 33.625 1.00 0.00 N ATOM 1217 CA SER B 24 103.966 -14.047 33.387 1.00 0.00 C ATOM 1218 C SER B 24 104.165 -15.365 32.628 1.00 0.00 C ATOM 1219 O SER B 24 105.057 -15.495 31.814 1.00 0.00 O ATOM 1220 CB SER B 24 104.694 -14.116 34.731 1.00 0.00 C ATOM 1221 OG SER B 24 106.077 -14.369 34.506 1.00 0.00 O ATOM 0 H SER B 24 102.216 -13.906 34.596 1.00 0.00 H new ATOM 0 HA SER B 24 104.370 -13.228 32.792 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.568 -13.179 35.274 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.265 -14.904 35.350 1.00 0.00 H new ATOM 0 HG SER B 24 106.546 -14.412 35.366 1.00 0.00 H new ATOM 1227 N ASP B 25 103.346 -16.348 32.901 1.00 0.00 N ATOM 1228 CA ASP B 25 103.495 -17.662 32.209 1.00 0.00 C ATOM 1229 C ASP B 25 103.339 -17.492 30.696 1.00 0.00 C ATOM 1230 O ASP B 25 104.056 -18.096 29.922 1.00 0.00 O ATOM 1231 CB ASP B 25 102.425 -18.630 32.724 1.00 0.00 C ATOM 1232 CG ASP B 25 102.721 -20.036 32.201 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.558 -20.156 31.322 1.00 0.00 O ATOM 1234 OD2 ASP B 25 102.105 -20.971 32.688 1.00 0.00 O ATOM 0 H ASP B 25 102.581 -16.297 33.573 1.00 0.00 H new ATOM 0 HA ASP B 25 104.489 -18.059 32.417 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.413 -18.630 33.814 1.00 0.00 H new ATOM 0 HB3 ASP B 25 101.437 -18.307 32.394 1.00 0.00 H new ATOM 1239 N PHE B 26 102.406 -16.677 30.268 1.00 0.00 N ATOM 1240 CA PHE B 26 102.189 -16.459 28.798 1.00 0.00 C ATOM 1241 C PHE B 26 102.582 -15.027 28.409 1.00 0.00 C ATOM 1242 O PHE B 26 102.451 -14.628 27.268 1.00 0.00 O ATOM 1243 CB PHE B 26 100.715 -16.708 28.470 1.00 0.00 C ATOM 1244 CG PHE B 26 100.400 -18.168 28.709 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.636 -19.108 27.696 1.00 0.00 C ATOM 1246 CD2 PHE B 26 99.879 -18.584 29.942 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.349 -20.459 27.913 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.592 -19.939 30.158 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.828 -20.875 29.143 1.00 0.00 C ATOM 0 H PHE B 26 101.780 -16.149 30.876 1.00 0.00 H new ATOM 0 HA PHE B 26 102.812 -17.151 28.232 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.079 -16.078 29.092 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.510 -16.443 27.433 1.00 0.00 H new ATOM 0 HD1 PHE B 26 101.040 -18.788 26.747 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.699 -17.862 30.724 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.530 -21.182 27.131 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.189 -20.261 31.107 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.608 -21.919 29.310 1.00 0.00 H new ATOM 1259 N ASN B 27 103.068 -14.258 29.346 1.00 0.00 N ATOM 1260 CA ASN B 27 103.481 -12.857 29.034 1.00 0.00 C ATOM 1261 C ASN B 27 102.308 -12.080 28.434 1.00 0.00 C ATOM 1262 O ASN B 27 102.450 -11.404 27.435 1.00 0.00 O ATOM 1263 CB ASN B 27 104.647 -12.867 28.042 1.00 0.00 C ATOM 1264 CG ASN B 27 105.745 -13.798 28.556 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.251 -14.618 27.820 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.132 -13.708 29.798 1.00 0.00 N ATOM 0 H ASN B 27 103.198 -14.540 30.318 1.00 0.00 H new ATOM 0 HA ASN B 27 103.794 -12.372 29.958 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.303 -13.199 27.063 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.040 -11.858 27.916 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.861 -14.328 30.151 1.00 0.00 H new ATOM 0 HD22 ASN B 27 105.706 -13.018 30.416 1.00 0.00 H new ATOM 1273 N LEU B 28 101.151 -12.171 29.040 1.00 0.00 N ATOM 1274 CA LEU B 28 99.950 -11.439 28.519 1.00 0.00 C ATOM 1275 C LEU B 28 99.564 -10.354 29.531 1.00 0.00 C ATOM 1276 O LEU B 28 99.820 -10.491 30.709 1.00 0.00 O ATOM 1277 CB LEU B 28 98.793 -12.436 28.382 1.00 0.00 C ATOM 1278 CG LEU B 28 99.163 -13.527 27.373 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.150 -14.668 27.476 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.153 -12.963 25.940 1.00 0.00 C ATOM 0 H LEU B 28 100.983 -12.725 29.880 1.00 0.00 H new ATOM 0 HA LEU B 28 100.167 -10.985 27.552 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.571 -12.884 29.350 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.891 -11.918 28.056 1.00 0.00 H new ATOM 0 HG LEU B 28 100.165 -13.893 27.598 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.407 -15.449 26.760 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.168 -15.080 28.485 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.152 -14.289 27.257 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.418 -13.752 25.237 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.158 -12.586 25.704 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.876 -12.151 25.864 1.00 0.00 H new ATOM 1292 N PRO B 29 98.950 -9.277 29.096 1.00 0.00 N ATOM 1293 CA PRO B 29 98.546 -8.184 30.025 1.00 0.00 C ATOM 1294 C PRO B 29 97.536 -8.683 31.083 1.00 0.00 C ATOM 1295 O PRO B 29 96.748 -9.567 30.815 1.00 0.00 O ATOM 1296 CB PRO B 29 97.917 -7.116 29.104 1.00 0.00 C ATOM 1297 CG PRO B 29 97.567 -7.839 27.838 1.00 0.00 C ATOM 1298 CD PRO B 29 98.583 -8.974 27.701 1.00 0.00 C ATOM 0 HA PRO B 29 99.389 -7.795 30.596 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.032 -6.674 29.562 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.616 -6.302 28.911 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.550 -8.230 27.881 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.615 -7.168 26.980 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.151 -9.841 27.202 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.450 -8.668 27.115 1.00 0.00 H new ATOM 1306 N PRO B 30 97.555 -8.124 32.273 1.00 0.00 N ATOM 1307 CA PRO B 30 96.620 -8.535 33.354 1.00 0.00 C ATOM 1308 C PRO B 30 95.202 -8.749 32.821 1.00 0.00 C ATOM 1309 O PRO B 30 94.479 -9.615 33.264 1.00 0.00 O ATOM 1310 CB PRO B 30 96.648 -7.355 34.346 1.00 0.00 C ATOM 1311 CG PRO B 30 97.935 -6.620 34.091 1.00 0.00 C ATOM 1312 CD PRO B 30 98.462 -7.051 32.710 1.00 0.00 C ATOM 0 HA PRO B 30 96.914 -9.482 33.807 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.790 -6.700 34.196 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.601 -7.711 35.375 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.771 -5.543 34.117 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.666 -6.850 34.867 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.455 -6.218 32.007 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.491 -7.405 32.773 1.00 0.00 H new ATOM 1320 N VAL B 31 94.793 -7.946 31.889 1.00 0.00 N ATOM 1321 CA VAL B 31 93.413 -8.080 31.347 1.00 0.00 C ATOM 1322 C VAL B 31 93.154 -9.511 30.888 1.00 0.00 C ATOM 1323 O VAL B 31 92.157 -10.108 31.239 1.00 0.00 O ATOM 1324 CB VAL B 31 93.247 -7.120 30.162 1.00 0.00 C ATOM 1325 CG1 VAL B 31 91.973 -7.445 29.358 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.165 -5.688 30.691 1.00 0.00 C ATOM 0 H VAL B 31 95.352 -7.200 31.475 1.00 0.00 H new ATOM 0 HA VAL B 31 92.696 -7.834 32.131 1.00 0.00 H new ATOM 0 HB VAL B 31 94.105 -7.231 29.499 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.881 -6.749 28.524 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.035 -8.464 28.975 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.101 -7.353 30.005 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.047 -4.998 29.856 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.310 -5.596 31.361 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.079 -5.448 31.234 1.00 0.00 H new ATOM 1336 N VAL B 32 94.025 -10.070 30.105 1.00 0.00 N ATOM 1337 CA VAL B 32 93.775 -11.458 29.637 1.00 0.00 C ATOM 1338 C VAL B 32 93.850 -12.418 30.821 1.00 0.00 C ATOM 1339 O VAL B 32 92.996 -13.266 31.004 1.00 0.00 O ATOM 1340 CB VAL B 32 94.815 -11.854 28.585 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.583 -13.309 28.144 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.686 -10.915 27.381 1.00 0.00 C ATOM 0 H VAL B 32 94.886 -9.637 29.772 1.00 0.00 H new ATOM 0 HA VAL B 32 92.782 -11.509 29.190 1.00 0.00 H new ATOM 0 HB VAL B 32 95.817 -11.772 29.007 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.326 -13.585 27.396 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.674 -13.969 29.006 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.585 -13.405 27.717 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.423 -11.189 26.626 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.685 -11.000 26.959 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.859 -9.887 27.701 1.00 0.00 H new ATOM 1352 N ALA B 33 94.864 -12.289 31.624 1.00 0.00 N ATOM 1353 CA ALA B 33 95.001 -13.189 32.798 1.00 0.00 C ATOM 1354 C ALA B 33 93.884 -12.913 33.812 1.00 0.00 C ATOM 1355 O ALA B 33 93.303 -13.824 34.366 1.00 0.00 O ATOM 1356 CB ALA B 33 96.364 -12.960 33.455 1.00 0.00 C ATOM 0 H ALA B 33 95.606 -11.597 31.518 1.00 0.00 H new ATOM 0 HA ALA B 33 94.923 -14.224 32.466 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.468 -13.619 34.317 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.155 -13.175 32.737 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.441 -11.922 33.780 1.00 0.00 H new ATOM 1362 N LYS B 34 93.578 -11.666 34.062 1.00 0.00 N ATOM 1363 CA LYS B 34 92.502 -11.344 35.043 1.00 0.00 C ATOM 1364 C LYS B 34 91.178 -11.947 34.578 1.00 0.00 C ATOM 1365 O LYS B 34 90.375 -12.395 35.372 1.00 0.00 O ATOM 1366 CB LYS B 34 92.344 -9.822 35.161 1.00 0.00 C ATOM 1367 CG LYS B 34 93.570 -9.202 35.862 1.00 0.00 C ATOM 1368 CD LYS B 34 93.392 -9.222 37.394 1.00 0.00 C ATOM 1369 CE LYS B 34 92.622 -7.979 37.857 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.417 -6.754 37.551 1.00 0.00 N ATOM 0 H LYS B 34 94.027 -10.859 33.629 1.00 0.00 H new ATOM 0 HA LYS B 34 92.774 -11.761 36.013 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.226 -9.385 34.169 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.440 -9.587 35.723 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.469 -9.754 35.588 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.710 -8.176 35.521 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.856 -10.123 37.693 1.00 0.00 H new ATOM 0 HD3 LYS B 34 94.367 -9.256 37.880 1.00 0.00 H new ATOM 0 HE2 LYS B 34 91.655 -7.931 37.357 1.00 0.00 H new ATOM 0 HE3 LYS B 34 92.425 -8.039 38.927 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.204 -6.017 38.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.431 -6.981 37.585 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.171 -6.409 36.601 1.00 0.00 H new ATOM 1384 N GLU B 35 90.928 -11.936 33.296 1.00 0.00 N ATOM 1385 CA GLU B 35 89.638 -12.483 32.795 1.00 0.00 C ATOM 1386 C GLU B 35 89.524 -13.974 33.122 1.00 0.00 C ATOM 1387 O GLU B 35 88.470 -14.451 33.492 1.00 0.00 O ATOM 1388 CB GLU B 35 89.540 -12.278 31.282 1.00 0.00 C ATOM 1389 CG GLU B 35 88.106 -12.572 30.811 1.00 0.00 C ATOM 1390 CD GLU B 35 87.891 -14.087 30.721 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.846 -14.784 30.417 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.777 -14.527 30.959 1.00 0.00 O ATOM 0 H GLU B 35 91.558 -11.574 32.580 1.00 0.00 H new ATOM 0 HA GLU B 35 88.822 -11.954 33.286 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.815 -11.255 31.025 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.243 -12.935 30.770 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.388 -12.134 31.505 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.931 -12.112 29.838 1.00 0.00 H new ATOM 1399 N ILE B 36 90.587 -14.724 32.996 1.00 0.00 N ATOM 1400 CA ILE B 36 90.485 -16.174 33.316 1.00 0.00 C ATOM 1401 C ILE B 36 90.061 -16.309 34.779 1.00 0.00 C ATOM 1402 O ILE B 36 89.251 -17.144 35.128 1.00 0.00 O ATOM 1403 CB ILE B 36 91.839 -16.863 33.085 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.238 -16.696 31.611 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.725 -18.360 33.414 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.583 -17.380 31.348 1.00 0.00 C ATOM 0 H ILE B 36 91.505 -14.401 32.691 1.00 0.00 H new ATOM 0 HA ILE B 36 89.750 -16.653 32.669 1.00 0.00 H new ATOM 0 HB ILE B 36 92.593 -16.411 33.730 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.471 -17.126 30.968 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.305 -15.637 31.362 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.688 -18.843 33.248 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.432 -18.482 34.457 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.974 -18.818 32.770 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.856 -17.255 30.300 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.350 -16.930 31.979 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.502 -18.442 31.578 1.00 0.00 H new ATOM 1418 N VAL B 37 90.594 -15.487 35.638 1.00 0.00 N ATOM 1419 CA VAL B 37 90.206 -15.569 37.072 1.00 0.00 C ATOM 1420 C VAL B 37 88.725 -15.227 37.202 1.00 0.00 C ATOM 1421 O VAL B 37 87.998 -15.838 37.960 1.00 0.00 O ATOM 1422 CB VAL B 37 91.046 -14.585 37.893 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.500 -14.504 39.324 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.501 -15.062 37.929 1.00 0.00 C ATOM 0 H VAL B 37 91.278 -14.765 35.411 1.00 0.00 H new ATOM 0 HA VAL B 37 90.383 -16.577 37.447 1.00 0.00 H new ATOM 0 HB VAL B 37 90.996 -13.598 37.432 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.101 -13.803 39.904 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.465 -14.162 39.300 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.545 -15.490 39.787 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.099 -14.362 38.513 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.549 -16.050 38.387 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.892 -15.114 36.913 1.00 0.00 H new ATOM 1434 N ALA B 38 88.275 -14.248 36.466 1.00 0.00 N ATOM 1435 CA ALA B 38 86.840 -13.859 36.537 1.00 0.00 C ATOM 1436 C ALA B 38 85.973 -15.042 36.108 1.00 0.00 C ATOM 1437 O ALA B 38 84.876 -15.231 36.589 1.00 0.00 O ATOM 1438 CB ALA B 38 86.581 -12.681 35.594 1.00 0.00 C ATOM 0 H ALA B 38 88.841 -13.700 35.818 1.00 0.00 H new ATOM 0 HA ALA B 38 86.594 -13.571 37.559 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.530 -12.397 35.647 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.201 -11.835 35.890 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.828 -12.971 34.573 1.00 0.00 H new ATOM 1444 N SER B 39 86.450 -15.828 35.185 1.00 0.00 N ATOM 1445 CA SER B 39 85.644 -16.980 34.703 1.00 0.00 C ATOM 1446 C SER B 39 85.700 -18.121 35.720 1.00 0.00 C ATOM 1447 O SER B 39 84.790 -18.920 35.808 1.00 0.00 O ATOM 1448 CB SER B 39 86.199 -17.451 33.361 1.00 0.00 C ATOM 1449 OG SER B 39 86.109 -16.389 32.424 1.00 0.00 O ATOM 0 H SER B 39 87.364 -15.722 34.744 1.00 0.00 H new ATOM 0 HA SER B 39 84.605 -16.672 34.582 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.236 -17.767 33.473 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.639 -18.316 33.005 1.00 0.00 H new ATOM 0 HG SER B 39 86.963 -15.910 32.390 1.00 0.00 H new ATOM 1455 N CYS B 40 86.750 -18.204 36.494 1.00 0.00 N ATOM 1456 CA CYS B 40 86.840 -19.298 37.506 1.00 0.00 C ATOM 1457 C CYS B 40 86.033 -18.899 38.743 1.00 0.00 C ATOM 1458 O CYS B 40 86.437 -18.058 39.521 1.00 0.00 O ATOM 1459 CB CYS B 40 88.302 -19.527 37.892 1.00 0.00 C ATOM 1460 SG CYS B 40 88.388 -20.704 39.264 1.00 0.00 S ATOM 0 H CYS B 40 87.545 -17.566 36.470 1.00 0.00 H new ATOM 0 HA CYS B 40 86.438 -20.220 37.087 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.859 -19.908 37.036 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.765 -18.583 38.179 1.00 0.00 H new ATOM 0 HG CYS B 40 89.314 -20.333 40.097 1.00 0.00 H new ATOM 1465 N ASP B 41 84.884 -19.487 38.911 1.00 0.00 N ATOM 1466 CA ASP B 41 84.018 -19.139 40.072 1.00 0.00 C ATOM 1467 C ASP B 41 84.739 -19.428 41.392 1.00 0.00 C ATOM 1468 O ASP B 41 84.497 -18.783 42.396 1.00 0.00 O ATOM 1469 CB ASP B 41 82.741 -19.975 39.998 1.00 0.00 C ATOM 1470 CG ASP B 41 81.888 -19.504 38.815 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.144 -18.420 38.317 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.993 -20.237 38.428 1.00 0.00 O ATOM 0 H ASP B 41 84.503 -20.200 38.289 1.00 0.00 H new ATOM 0 HA ASP B 41 83.781 -18.076 40.035 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.991 -21.030 39.883 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.178 -19.880 40.926 1.00 0.00 H new ATOM 1477 N LYS B 42 85.607 -20.397 41.413 1.00 0.00 N ATOM 1478 CA LYS B 42 86.315 -20.720 42.681 1.00 0.00 C ATOM 1479 C LYS B 42 87.310 -19.609 43.029 1.00 0.00 C ATOM 1480 O LYS B 42 87.427 -19.213 44.171 1.00 0.00 O ATOM 1481 CB LYS B 42 87.058 -22.049 42.516 1.00 0.00 C ATOM 1482 CG LYS B 42 86.045 -23.182 42.344 1.00 0.00 C ATOM 1483 CD LYS B 42 86.790 -24.518 42.312 1.00 0.00 C ATOM 1484 CE LYS B 42 85.797 -25.662 42.095 1.00 0.00 C ATOM 1485 NZ LYS B 42 85.145 -25.513 40.762 1.00 0.00 N ATOM 0 H LYS B 42 85.857 -20.977 40.612 1.00 0.00 H new ATOM 0 HA LYS B 42 85.588 -20.802 43.489 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.719 -22.003 41.650 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.686 -22.237 43.387 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.326 -23.172 43.163 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.480 -23.044 41.422 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.532 -24.512 41.513 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.330 -24.666 43.247 1.00 0.00 H new ATOM 0 HE2 LYS B 42 86.313 -26.621 42.154 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.043 -25.657 42.882 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.760 -26.430 40.459 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.374 -24.819 40.829 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 85.846 -25.186 40.067 1.00 0.00 H new ATOM 1499 N CYS B 43 88.018 -19.093 42.057 1.00 0.00 N ATOM 1500 CA CYS B 43 88.995 -17.997 42.343 1.00 0.00 C ATOM 1501 C CYS B 43 88.282 -16.644 42.283 1.00 0.00 C ATOM 1502 O CYS B 43 88.685 -15.689 42.921 1.00 0.00 O ATOM 1503 CB CYS B 43 90.129 -18.024 41.310 1.00 0.00 C ATOM 1504 SG CYS B 43 91.124 -19.527 41.525 1.00 0.00 S ATOM 0 H CYS B 43 87.963 -19.381 41.080 1.00 0.00 H new ATOM 0 HA CYS B 43 89.413 -18.144 43.339 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.715 -17.992 40.302 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.758 -17.141 41.424 1.00 0.00 H new ATOM 0 HG CYS B 43 92.081 -19.544 40.645 1.00 0.00 H new ATOM 1509 N GLN B 44 87.230 -16.547 41.516 1.00 0.00 N ATOM 1510 CA GLN B 44 86.501 -15.249 41.412 1.00 0.00 C ATOM 1511 C GLN B 44 85.713 -15.013 42.693 1.00 0.00 C ATOM 1512 O GLN B 44 86.038 -14.153 43.490 1.00 0.00 O ATOM 1513 CB GLN B 44 85.540 -15.305 40.222 1.00 0.00 C ATOM 1514 CG GLN B 44 84.962 -13.914 39.960 1.00 0.00 C ATOM 1515 CD GLN B 44 84.001 -13.980 38.772 1.00 0.00 C ATOM 1516 OE1 GLN B 44 84.219 -13.227 37.731 1.00 0.00 O flip ATOM 1517 NE2 GLN B 44 83.046 -14.731 38.791 1.00 0.00 N flip ATOM 0 H GLN B 44 86.844 -17.308 40.958 1.00 0.00 H new ATOM 0 HA GLN B 44 87.212 -14.436 41.267 1.00 0.00 H new ATOM 0 HB2 GLN B 44 86.064 -15.664 39.336 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.735 -16.011 40.425 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.439 -13.552 40.845 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.765 -13.207 39.753 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.876 -15.320 39.606 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.414 -14.773 37.992 1.00 0.00 H new