USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=20 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 HE2:sc= -3 K(o=-9.2,f=-12!) USER MOD Set 1.2: B 16 HIS : no HD1:sc= -3.97! C(o=-9.2!,f=-13!) USER MOD Set 1.3: B 40 CYS SG : rot 150:sc= 0.48 USER MOD Set 1.4: B 43 CYS SG : rot 86:sc= -2.7 USER MOD Set 2.1: A 12 HIS : no HE2:sc= -2.44 K(o=-7.9,f=-11!) USER MOD Set 2.2: A 16 HIS : no HD1:sc= -3.79! C(o=-7.9!,f=-12!) USER MOD Set 2.3: A 40 CYS SG : rot 150:sc= 0.475 USER MOD Set 2.4: A 43 CYS SG : rot 84:sc= -2.11 USER MOD Single : A 1 PHE N :NH3+ 175:sc= 0.817 (180deg=0.603) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -77:sc= 0.685 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 22 MET CE :methyl -158:sc= -0.191 (180deg=-1.31) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0428 K(o=-0.043,f=-1.7!) USER MOD Single : A 34 LYS NZ :NH3+ 162:sc= -1.16 (180deg=-1.46!) USER MOD Single : A 39 SER OG : rot 92:sc= 0.0819! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.16) USER MOD Single : B 1 PHE N :NH3+ 178:sc= 0.788 (180deg=0.684) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -57:sc= 0.61 USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : B 22 MET CE :methyl -153:sc= -0.193 (180deg=-1.33) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.0355 K(o=-0.036,f=-1.9!) USER MOD Single : B 34 LYS NZ :NH3+ -168:sc= -1.39! (180deg=-1.76!) USER MOD Single : B 39 SER OG : rot 87:sc= -0.0918! USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.829 -3.590 24.471 1.00 0.00 N ATOM 2 CA PHE A 1 94.335 -4.293 25.691 1.00 0.00 C ATOM 3 C PHE A 1 93.946 -3.266 26.764 1.00 0.00 C ATOM 4 O PHE A 1 92.789 -2.940 26.931 1.00 0.00 O ATOM 5 CB PHE A 1 95.434 -5.203 26.247 1.00 0.00 C ATOM 6 CG PHE A 1 95.738 -6.319 25.269 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.391 -6.038 24.063 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.374 -7.639 25.574 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.681 -7.071 23.164 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.662 -8.673 24.673 1.00 0.00 C ATOM 11 CZ PHE A 1 96.317 -8.390 23.469 1.00 0.00 C ATOM 0 H1 PHE A 1 95.170 -4.290 23.781 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.054 -3.038 24.051 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.608 -2.951 24.730 1.00 0.00 H new ATOM 0 HA PHE A 1 93.464 -4.891 25.423 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.336 -4.621 26.437 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.119 -5.623 27.202 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.672 -5.022 23.826 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.871 -7.859 26.504 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.186 -6.852 22.235 1.00 0.00 H new ATOM 0 HE2 PHE A 1 95.378 -9.688 24.908 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.542 -9.187 22.776 1.00 0.00 H new ATOM 23 N LEU A 2 94.909 -2.773 27.508 1.00 0.00 N ATOM 24 CA LEU A 2 94.597 -1.784 28.587 1.00 0.00 C ATOM 25 C LEU A 2 94.028 -0.503 27.980 1.00 0.00 C ATOM 26 O LEU A 2 93.111 0.092 28.510 1.00 0.00 O ATOM 27 CB LEU A 2 95.878 -1.450 29.366 1.00 0.00 C ATOM 28 CG LEU A 2 96.422 -2.715 30.047 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.824 -2.441 30.602 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.498 -3.139 31.201 1.00 0.00 C ATOM 0 H LEU A 2 95.896 -3.013 27.414 1.00 0.00 H new ATOM 0 HA LEU A 2 93.859 -2.219 29.260 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.628 -1.039 28.690 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.670 -0.685 30.114 1.00 0.00 H new ATOM 0 HG LEU A 2 96.466 -3.516 29.309 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.207 -3.341 31.084 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.489 -2.156 29.787 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.775 -1.632 31.330 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.896 -4.037 31.674 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.441 -2.336 31.936 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.501 -3.345 30.812 1.00 0.00 H new ATOM 42 N ASP A 3 94.564 -0.068 26.878 1.00 0.00 N ATOM 43 CA ASP A 3 94.052 1.178 26.246 1.00 0.00 C ATOM 44 C ASP A 3 92.599 0.974 25.811 1.00 0.00 C ATOM 45 O ASP A 3 91.758 1.832 25.996 1.00 0.00 O ATOM 46 CB ASP A 3 94.910 1.508 25.029 1.00 0.00 C ATOM 47 CG ASP A 3 94.446 2.828 24.411 1.00 0.00 C ATOM 48 OD1 ASP A 3 93.250 3.056 24.374 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.295 3.588 23.985 1.00 0.00 O ATOM 0 H ASP A 3 95.335 -0.520 26.386 1.00 0.00 H new ATOM 0 HA ASP A 3 94.099 1.999 26.962 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.958 1.581 25.320 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.838 0.706 24.294 1.00 0.00 H new ATOM 54 N GLY A 4 92.301 -0.158 25.240 1.00 0.00 N ATOM 55 CA GLY A 4 90.905 -0.432 24.794 1.00 0.00 C ATOM 56 C GLY A 4 89.978 -0.393 26.006 1.00 0.00 C ATOM 57 O GLY A 4 88.869 0.100 25.950 1.00 0.00 O ATOM 0 H GLY A 4 92.967 -0.910 25.061 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.593 0.309 24.058 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.849 -1.407 24.309 1.00 0.00 H new ATOM 61 N ILE A 5 90.433 -0.916 27.107 1.00 0.00 N ATOM 62 CA ILE A 5 89.603 -0.926 28.337 1.00 0.00 C ATOM 63 C ILE A 5 89.349 0.509 28.809 1.00 0.00 C ATOM 64 O ILE A 5 88.276 0.833 29.275 1.00 0.00 O ATOM 65 CB ILE A 5 90.322 -1.736 29.421 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.258 -3.221 29.046 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.645 -1.516 30.779 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.181 -4.030 29.956 1.00 0.00 C ATOM 0 H ILE A 5 91.355 -1.341 27.207 1.00 0.00 H new ATOM 0 HA ILE A 5 88.639 -1.390 28.128 1.00 0.00 H new ATOM 0 HB ILE A 5 91.360 -1.413 29.493 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.234 -3.584 29.137 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.552 -3.355 28.005 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.164 -2.096 31.542 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.684 -0.458 31.038 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.605 -1.837 30.723 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.129 -5.084 29.683 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.206 -3.676 29.843 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.868 -3.908 30.993 1.00 0.00 H new ATOM 80 N ASP A 6 90.326 1.361 28.715 1.00 0.00 N ATOM 81 CA ASP A 6 90.131 2.766 29.176 1.00 0.00 C ATOM 82 C ASP A 6 88.993 3.433 28.404 1.00 0.00 C ATOM 83 O ASP A 6 88.108 4.035 28.981 1.00 0.00 O ATOM 84 CB ASP A 6 91.418 3.556 28.950 1.00 0.00 C ATOM 85 CG ASP A 6 91.212 5.004 29.399 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.467 5.707 28.737 1.00 0.00 O ATOM 87 OD2 ASP A 6 91.803 5.386 30.397 1.00 0.00 O ATOM 0 H ASP A 6 91.251 1.150 28.340 1.00 0.00 H new ATOM 0 HA ASP A 6 89.879 2.753 30.236 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.238 3.104 29.508 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.695 3.527 27.896 1.00 0.00 H new ATOM 92 N LYS A 7 89.008 3.349 27.106 1.00 0.00 N ATOM 93 CA LYS A 7 87.925 3.994 26.315 1.00 0.00 C ATOM 94 C LYS A 7 86.604 3.260 26.565 1.00 0.00 C ATOM 95 O LYS A 7 85.557 3.862 26.696 1.00 0.00 O ATOM 96 CB LYS A 7 88.280 3.918 24.832 1.00 0.00 C ATOM 97 CG LYS A 7 89.478 4.829 24.543 1.00 0.00 C ATOM 98 CD LYS A 7 89.755 4.860 23.035 1.00 0.00 C ATOM 99 CE LYS A 7 90.242 3.483 22.561 1.00 0.00 C ATOM 100 NZ LYS A 7 90.923 3.623 21.242 1.00 0.00 N ATOM 0 H LYS A 7 89.720 2.864 26.559 1.00 0.00 H new ATOM 0 HA LYS A 7 87.819 5.037 26.615 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.517 2.890 24.557 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.425 4.221 24.227 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.276 5.837 24.906 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.358 4.469 25.076 1.00 0.00 H new ATOM 0 HD2 LYS A 7 88.850 5.140 22.496 1.00 0.00 H new ATOM 0 HD3 LYS A 7 90.506 5.617 22.811 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.928 3.056 23.293 1.00 0.00 H new ATOM 0 HE3 LYS A 7 89.399 2.797 22.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 91.253 2.690 20.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 90.255 4.013 20.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 91.736 4.264 21.338 1.00 0.00 H new ATOM 114 N ALA A 8 86.657 1.957 26.637 1.00 0.00 N ATOM 115 CA ALA A 8 85.422 1.155 26.879 1.00 0.00 C ATOM 116 C ALA A 8 84.924 1.380 28.314 1.00 0.00 C ATOM 117 O ALA A 8 83.751 1.243 28.600 1.00 0.00 O ATOM 118 CB ALA A 8 85.733 -0.328 26.658 1.00 0.00 C ATOM 0 H ALA A 8 87.511 1.409 26.538 1.00 0.00 H new ATOM 0 HA ALA A 8 84.642 1.469 26.185 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.834 -0.918 26.834 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.072 -0.480 25.633 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.515 -0.643 27.350 1.00 0.00 H new ATOM 124 N GLN A 9 85.803 1.722 29.220 1.00 0.00 N ATOM 125 CA GLN A 9 85.374 1.947 30.634 1.00 0.00 C ATOM 126 C GLN A 9 84.342 3.081 30.668 1.00 0.00 C ATOM 127 O GLN A 9 84.531 4.126 30.079 1.00 0.00 O ATOM 128 CB GLN A 9 86.596 2.335 31.473 1.00 0.00 C ATOM 129 CG GLN A 9 86.233 2.352 32.959 1.00 0.00 C ATOM 130 CD GLN A 9 87.478 2.710 33.774 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.585 2.600 33.287 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.348 3.139 34.998 1.00 0.00 N ATOM 0 H GLN A 9 86.799 1.855 29.043 1.00 0.00 H new ATOM 0 HA GLN A 9 84.930 1.038 31.040 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.406 1.628 31.297 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.958 3.317 31.168 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.441 3.077 33.144 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.851 1.378 33.264 1.00 0.00 H new ATOM 0 HE21 GLN A 9 86.419 3.232 35.410 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.175 3.381 35.544 1.00 0.00 H new ATOM 141 N GLU A 10 83.244 2.871 31.345 1.00 0.00 N ATOM 142 CA GLU A 10 82.183 3.920 31.416 1.00 0.00 C ATOM 143 C GLU A 10 81.384 3.731 32.704 1.00 0.00 C ATOM 144 O GLU A 10 81.405 2.680 33.311 1.00 0.00 O ATOM 145 CB GLU A 10 81.259 3.791 30.194 1.00 0.00 C ATOM 146 CG GLU A 10 80.151 4.854 30.238 1.00 0.00 C ATOM 147 CD GLU A 10 79.311 4.760 28.964 1.00 0.00 C ATOM 148 OE1 GLU A 10 78.913 3.660 28.622 1.00 0.00 O ATOM 149 OE2 GLU A 10 79.079 5.790 28.351 1.00 0.00 O ATOM 0 H GLU A 10 83.035 2.013 31.855 1.00 0.00 H new ATOM 0 HA GLU A 10 82.634 4.912 31.415 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.840 3.902 29.279 1.00 0.00 H new ATOM 0 HB3 GLU A 10 80.815 2.796 30.171 1.00 0.00 H new ATOM 0 HG2 GLU A 10 79.521 4.703 31.115 1.00 0.00 H new ATOM 0 HG3 GLU A 10 80.588 5.848 30.327 1.00 0.00 H new ATOM 156 N GLU A 11 80.684 4.740 33.126 1.00 0.00 N ATOM 157 CA GLU A 11 79.890 4.619 34.373 1.00 0.00 C ATOM 158 C GLU A 11 78.985 3.384 34.281 1.00 0.00 C ATOM 159 O GLU A 11 78.625 2.943 33.207 1.00 0.00 O ATOM 160 CB GLU A 11 79.041 5.881 34.551 1.00 0.00 C ATOM 161 CG GLU A 11 78.419 5.897 35.949 1.00 0.00 C ATOM 162 CD GLU A 11 79.520 6.051 36.999 1.00 0.00 C ATOM 163 OE1 GLU A 11 79.851 7.182 37.320 1.00 0.00 O ATOM 164 OE2 GLU A 11 80.016 5.037 37.463 1.00 0.00 O ATOM 0 H GLU A 11 80.627 5.646 32.660 1.00 0.00 H new ATOM 0 HA GLU A 11 80.555 4.509 35.230 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.658 6.768 34.408 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.257 5.912 33.794 1.00 0.00 H new ATOM 0 HG2 GLU A 11 77.707 6.718 36.032 1.00 0.00 H new ATOM 0 HG3 GLU A 11 77.864 4.975 36.122 1.00 0.00 H new ATOM 171 N HIS A 12 78.635 2.815 35.403 1.00 0.00 N ATOM 172 CA HIS A 12 77.771 1.598 35.399 1.00 0.00 C ATOM 173 C HIS A 12 76.387 1.961 34.861 1.00 0.00 C ATOM 174 O HIS A 12 75.413 1.995 35.586 1.00 0.00 O ATOM 175 CB HIS A 12 77.649 1.076 36.836 1.00 0.00 C ATOM 176 CG HIS A 12 76.774 -0.150 36.875 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.263 -1.428 36.627 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.440 -0.311 37.162 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.238 -2.292 36.775 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.108 -1.659 37.099 1.00 0.00 N ATOM 0 H HIS A 12 78.912 3.143 36.328 1.00 0.00 H new ATOM 0 HA HIS A 12 78.210 0.828 34.764 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.638 0.838 37.229 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.229 1.851 37.477 1.00 0.00 H new ATOM 0 HD1 HIS A 12 78.223 -1.668 36.378 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.754 0.488 37.400 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.321 -3.361 36.647 1.00 0.00 H new ATOM 188 N GLU A 13 76.299 2.233 33.581 1.00 0.00 N ATOM 189 CA GLU A 13 74.987 2.605 32.963 1.00 0.00 C ATOM 190 C GLU A 13 74.399 1.391 32.230 1.00 0.00 C ATOM 191 O GLU A 13 74.613 0.256 32.604 1.00 0.00 O ATOM 192 CB GLU A 13 75.202 3.770 31.973 1.00 0.00 C ATOM 193 CG GLU A 13 73.953 4.666 31.915 1.00 0.00 C ATOM 194 CD GLU A 13 74.164 5.778 30.884 1.00 0.00 C ATOM 195 OE1 GLU A 13 75.286 6.240 30.762 1.00 0.00 O ATOM 196 OE2 GLU A 13 73.198 6.152 30.240 1.00 0.00 O ATOM 0 H GLU A 13 77.086 2.213 32.933 1.00 0.00 H new ATOM 0 HA GLU A 13 74.290 2.918 33.740 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.066 4.360 32.279 1.00 0.00 H new ATOM 0 HB3 GLU A 13 75.420 3.376 30.980 1.00 0.00 H new ATOM 0 HG2 GLU A 13 73.079 4.071 31.649 1.00 0.00 H new ATOM 0 HG3 GLU A 13 73.758 5.099 32.896 1.00 0.00 H new ATOM 203 N LYS A 14 73.652 1.637 31.188 1.00 0.00 N ATOM 204 CA LYS A 14 73.028 0.528 30.418 1.00 0.00 C ATOM 205 C LYS A 14 74.084 -0.262 29.644 1.00 0.00 C ATOM 206 O LYS A 14 73.975 -1.460 29.476 1.00 0.00 O ATOM 207 CB LYS A 14 72.018 1.112 29.438 1.00 0.00 C ATOM 208 CG LYS A 14 70.821 1.657 30.211 1.00 0.00 C ATOM 209 CD LYS A 14 69.815 2.236 29.225 1.00 0.00 C ATOM 210 CE LYS A 14 68.606 2.778 29.983 1.00 0.00 C ATOM 211 NZ LYS A 14 67.694 3.456 29.022 1.00 0.00 N ATOM 0 H LYS A 14 73.446 2.572 30.835 1.00 0.00 H new ATOM 0 HA LYS A 14 72.534 -0.148 31.116 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.480 1.907 28.853 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.693 0.346 28.734 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.359 0.863 30.798 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.145 2.425 30.913 1.00 0.00 H new ATOM 0 HD2 LYS A 14 70.279 3.033 28.643 1.00 0.00 H new ATOM 0 HD3 LYS A 14 69.499 1.468 28.519 1.00 0.00 H new ATOM 0 HE2 LYS A 14 68.084 1.966 30.488 1.00 0.00 H new ATOM 0 HE3 LYS A 14 68.928 3.478 30.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 66.867 3.828 29.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 68.197 4.240 28.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 67.379 2.774 28.302 1.00 0.00 H new ATOM 225 N TYR A 15 75.099 0.394 29.167 1.00 0.00 N ATOM 226 CA TYR A 15 76.149 -0.318 28.392 1.00 0.00 C ATOM 227 C TYR A 15 76.779 -1.398 29.275 1.00 0.00 C ATOM 228 O TYR A 15 77.087 -2.478 28.811 1.00 0.00 O ATOM 229 CB TYR A 15 77.219 0.690 27.955 1.00 0.00 C ATOM 230 CG TYR A 15 76.719 1.476 26.765 1.00 0.00 C ATOM 231 CD1 TYR A 15 76.005 2.663 26.969 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.971 1.026 25.461 1.00 0.00 C ATOM 233 CE1 TYR A 15 75.544 3.401 25.874 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.506 1.766 24.364 1.00 0.00 C ATOM 235 CZ TYR A 15 75.794 2.954 24.571 1.00 0.00 C ATOM 236 OH TYR A 15 75.341 3.685 23.493 1.00 0.00 O ATOM 0 H TYR A 15 75.249 1.397 29.280 1.00 0.00 H new ATOM 0 HA TYR A 15 75.712 -0.785 27.510 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.454 1.366 28.777 1.00 0.00 H new ATOM 0 HB3 TYR A 15 78.141 0.168 27.698 1.00 0.00 H new ATOM 0 HD1 TYR A 15 75.810 3.009 27.973 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.522 0.111 25.302 1.00 0.00 H new ATOM 0 HE1 TYR A 15 74.994 4.317 26.034 1.00 0.00 H new ATOM 0 HE2 TYR A 15 76.697 1.419 23.359 1.00 0.00 H new ATOM 0 HH TYR A 15 75.600 3.236 22.661 1.00 0.00 H new ATOM 246 N HIS A 16 76.965 -1.135 30.538 1.00 0.00 N ATOM 247 CA HIS A 16 77.562 -2.184 31.412 1.00 0.00 C ATOM 248 C HIS A 16 76.649 -3.419 31.409 1.00 0.00 C ATOM 249 O HIS A 16 77.115 -4.539 31.332 1.00 0.00 O ATOM 250 CB HIS A 16 77.719 -1.650 32.849 1.00 0.00 C ATOM 251 CG HIS A 16 79.010 -0.884 32.972 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.742 -0.850 34.155 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.725 -0.138 32.067 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.843 -0.106 33.929 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.877 0.350 32.673 1.00 0.00 N ATOM 0 H HIS A 16 76.734 -0.254 30.998 1.00 0.00 H new ATOM 0 HA HIS A 16 78.547 -2.456 31.033 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.877 -1.005 33.101 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.708 -2.478 33.557 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.436 0.042 31.042 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.602 0.096 34.670 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.597 0.934 32.248 1.00 0.00 H new ATOM 263 N SER A 17 75.356 -3.232 31.485 1.00 0.00 N ATOM 264 CA SER A 17 74.440 -4.409 31.479 1.00 0.00 C ATOM 265 C SER A 17 74.621 -5.194 30.177 1.00 0.00 C ATOM 266 O SER A 17 74.779 -6.401 30.186 1.00 0.00 O ATOM 267 CB SER A 17 72.988 -3.935 31.584 1.00 0.00 C ATOM 268 OG SER A 17 72.629 -3.249 30.391 1.00 0.00 O ATOM 0 H SER A 17 74.899 -2.322 31.550 1.00 0.00 H new ATOM 0 HA SER A 17 74.676 -5.049 32.329 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.326 -4.787 31.740 1.00 0.00 H new ATOM 0 HB3 SER A 17 72.870 -3.277 32.445 1.00 0.00 H new ATOM 0 HG SER A 17 73.015 -2.348 30.403 1.00 0.00 H new ATOM 274 N ASN A 18 74.608 -4.523 29.053 1.00 0.00 N ATOM 275 CA ASN A 18 74.792 -5.230 27.748 1.00 0.00 C ATOM 276 C ASN A 18 76.256 -5.152 27.326 1.00 0.00 C ATOM 277 O ASN A 18 76.660 -4.257 26.612 1.00 0.00 O ATOM 278 CB ASN A 18 73.926 -4.568 26.677 1.00 0.00 C ATOM 279 CG ASN A 18 72.454 -4.685 27.064 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.983 -5.756 27.391 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.702 -3.620 27.035 1.00 0.00 N ATOM 0 H ASN A 18 74.478 -3.514 28.982 1.00 0.00 H new ATOM 0 HA ASN A 18 74.498 -6.273 27.862 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.202 -3.519 26.569 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.097 -5.043 25.711 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.716 -3.685 27.287 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.100 -2.722 26.760 1.00 0.00 H new ATOM 288 N TRP A 19 77.055 -6.082 27.758 1.00 0.00 N ATOM 289 CA TRP A 19 78.493 -6.063 27.377 1.00 0.00 C ATOM 290 C TRP A 19 78.634 -6.395 25.892 1.00 0.00 C ATOM 291 O TRP A 19 79.625 -6.074 25.266 1.00 0.00 O ATOM 292 CB TRP A 19 79.273 -7.083 28.205 1.00 0.00 C ATOM 293 CG TRP A 19 78.737 -8.457 27.969 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.825 -9.087 28.746 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.065 -9.377 26.892 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.586 -10.345 28.220 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.325 -10.569 27.074 1.00 0.00 C ATOM 298 CE3 TRP A 19 79.931 -9.293 25.788 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.442 -11.642 26.190 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.046 -10.369 24.896 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.306 -11.542 25.098 1.00 0.00 C ATOM 0 H TRP A 19 76.775 -6.857 28.360 1.00 0.00 H new ATOM 0 HA TRP A 19 78.896 -5.069 27.569 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.330 -7.046 27.939 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.202 -6.834 29.264 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.361 -8.676 29.630 1.00 0.00 H new ATOM 0 HE1 TRP A 19 76.943 -11.024 28.628 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.510 -8.396 25.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 77.868 -12.543 26.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.710 -10.293 24.047 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.404 -12.368 24.409 1.00 0.00 H new ATOM 312 N ARG A 20 77.663 -7.052 25.323 1.00 0.00 N ATOM 313 CA ARG A 20 77.757 -7.415 23.881 1.00 0.00 C ATOM 314 C ARG A 20 77.876 -6.138 23.051 1.00 0.00 C ATOM 315 O ARG A 20 78.635 -6.070 22.104 1.00 0.00 O ATOM 316 CB ARG A 20 76.501 -8.178 23.463 1.00 0.00 C ATOM 317 CG ARG A 20 76.493 -9.560 24.119 1.00 0.00 C ATOM 318 CD ARG A 20 75.230 -10.311 23.695 1.00 0.00 C ATOM 319 NE ARG A 20 75.177 -11.632 24.377 1.00 0.00 N ATOM 320 CZ ARG A 20 74.068 -12.316 24.375 1.00 0.00 C ATOM 321 NH1 ARG A 20 72.994 -11.809 23.836 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.027 -13.500 24.926 1.00 0.00 N ATOM 0 H ARG A 20 76.809 -7.353 25.793 1.00 0.00 H new ATOM 0 HA ARG A 20 78.632 -8.044 23.717 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.611 -7.621 23.756 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.470 -8.280 22.378 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.380 -10.121 23.824 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.525 -9.461 25.204 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.346 -9.726 23.947 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.223 -10.449 22.614 1.00 0.00 H new ATOM 0 HE ARG A 20 76.005 -12.001 24.844 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.024 -10.879 23.417 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.124 -12.342 23.833 1.00 0.00 H new ATOM 0 HH21 ARG A 20 74.864 -13.890 25.359 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.158 -14.034 24.923 1.00 0.00 H new ATOM 336 N ALA A 21 77.134 -5.120 23.396 1.00 0.00 N ATOM 337 CA ALA A 21 77.225 -3.848 22.627 1.00 0.00 C ATOM 338 C ALA A 21 78.652 -3.308 22.716 1.00 0.00 C ATOM 339 O ALA A 21 79.209 -2.824 21.751 1.00 0.00 O ATOM 340 CB ALA A 21 76.252 -2.820 23.212 1.00 0.00 C ATOM 0 H ALA A 21 76.473 -5.115 24.173 1.00 0.00 H new ATOM 0 HA ALA A 21 76.966 -4.034 21.585 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.321 -1.891 22.647 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.235 -3.206 23.151 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.507 -2.630 24.255 1.00 0.00 H new ATOM 346 N MET A 22 79.246 -3.388 23.875 1.00 0.00 N ATOM 347 CA MET A 22 80.637 -2.885 24.045 1.00 0.00 C ATOM 348 C MET A 22 81.578 -3.655 23.119 1.00 0.00 C ATOM 349 O MET A 22 82.412 -3.084 22.445 1.00 0.00 O ATOM 350 CB MET A 22 81.062 -3.115 25.496 1.00 0.00 C ATOM 351 CG MET A 22 82.393 -2.415 25.774 1.00 0.00 C ATOM 352 SD MET A 22 83.086 -3.039 27.325 1.00 0.00 S ATOM 353 CE MET A 22 81.655 -2.705 28.380 1.00 0.00 C ATOM 0 H MET A 22 78.824 -3.783 24.716 1.00 0.00 H new ATOM 0 HA MET A 22 80.681 -1.824 23.800 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.295 -2.736 26.172 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.157 -4.183 25.690 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.089 -2.593 24.954 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.244 -1.337 25.837 1.00 0.00 H new ATOM 0 HE1 MET A 22 81.976 -2.643 29.420 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.197 -1.761 28.084 1.00 0.00 H new ATOM 0 HE3 MET A 22 80.928 -3.510 28.272 1.00 0.00 H new ATOM 363 N ALA A 23 81.453 -4.952 23.087 1.00 0.00 N ATOM 364 CA ALA A 23 82.341 -5.767 22.216 1.00 0.00 C ATOM 365 C ALA A 23 82.095 -5.396 20.751 1.00 0.00 C ATOM 366 O ALA A 23 83.016 -5.267 19.968 1.00 0.00 O ATOM 367 CB ALA A 23 82.036 -7.252 22.446 1.00 0.00 C ATOM 0 H ALA A 23 80.771 -5.483 23.629 1.00 0.00 H new ATOM 0 HA ALA A 23 83.386 -5.572 22.457 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.682 -7.859 21.812 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.215 -7.503 23.492 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.993 -7.452 22.199 1.00 0.00 H new ATOM 373 N SER A 24 80.858 -5.227 20.374 1.00 0.00 N ATOM 374 CA SER A 24 80.548 -4.865 18.961 1.00 0.00 C ATOM 375 C SER A 24 81.005 -3.432 18.676 1.00 0.00 C ATOM 376 O SER A 24 81.534 -3.138 17.623 1.00 0.00 O ATOM 377 CB SER A 24 79.040 -4.970 18.734 1.00 0.00 C ATOM 378 OG SER A 24 78.752 -4.699 17.370 1.00 0.00 O ATOM 0 H SER A 24 80.046 -5.324 20.984 1.00 0.00 H new ATOM 0 HA SER A 24 81.072 -5.547 18.292 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.689 -5.967 19.001 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.514 -4.264 19.376 1.00 0.00 H new ATOM 0 HG SER A 24 77.786 -4.767 17.220 1.00 0.00 H new ATOM 384 N ASP A 25 80.797 -2.539 19.605 1.00 0.00 N ATOM 385 CA ASP A 25 81.211 -1.125 19.387 1.00 0.00 C ATOM 386 C ASP A 25 82.722 -1.060 19.161 1.00 0.00 C ATOM 387 O ASP A 25 83.203 -0.321 18.326 1.00 0.00 O ATOM 388 CB ASP A 25 80.850 -0.301 20.624 1.00 0.00 C ATOM 389 CG ASP A 25 81.244 1.161 20.397 1.00 0.00 C ATOM 390 OD1 ASP A 25 82.378 1.396 20.010 1.00 0.00 O ATOM 391 OD2 ASP A 25 80.404 2.019 20.615 1.00 0.00 O ATOM 0 H ASP A 25 80.358 -2.728 20.506 1.00 0.00 H new ATOM 0 HA ASP A 25 80.697 -0.726 18.512 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.781 -0.374 20.823 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.365 -0.696 21.500 1.00 0.00 H new ATOM 396 N PHE A 26 83.471 -1.834 19.902 1.00 0.00 N ATOM 397 CA PHE A 26 84.959 -1.829 19.746 1.00 0.00 C ATOM 398 C PHE A 26 85.395 -3.041 18.915 1.00 0.00 C ATOM 399 O PHE A 26 86.568 -3.253 18.688 1.00 0.00 O ATOM 400 CB PHE A 26 85.616 -1.898 21.129 1.00 0.00 C ATOM 401 CG PHE A 26 85.449 -0.574 21.840 1.00 0.00 C ATOM 402 CD1 PHE A 26 86.339 0.478 21.586 1.00 0.00 C ATOM 403 CD2 PHE A 26 84.411 -0.402 22.763 1.00 0.00 C ATOM 404 CE1 PHE A 26 86.190 1.699 22.253 1.00 0.00 C ATOM 405 CE2 PHE A 26 84.263 0.821 23.431 1.00 0.00 C ATOM 406 CZ PHE A 26 85.151 1.870 23.176 1.00 0.00 C ATOM 0 H PHE A 26 83.116 -2.473 20.613 1.00 0.00 H new ATOM 0 HA PHE A 26 85.266 -0.914 19.239 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.164 -2.697 21.717 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.675 -2.136 21.028 1.00 0.00 H new ATOM 0 HD1 PHE A 26 87.141 0.346 20.875 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.724 -1.212 22.960 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.876 2.509 22.056 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.462 0.953 24.143 1.00 0.00 H new ATOM 0 HZ PHE A 26 85.036 2.812 23.691 1.00 0.00 H new ATOM 416 N ASN A 27 84.460 -3.833 18.460 1.00 0.00 N ATOM 417 CA ASN A 27 84.821 -5.031 17.643 1.00 0.00 C ATOM 418 C ASN A 27 85.840 -5.874 18.403 1.00 0.00 C ATOM 419 O ASN A 27 86.823 -6.328 17.849 1.00 0.00 O ATOM 420 CB ASN A 27 85.415 -4.593 16.301 1.00 0.00 C ATOM 421 CG ASN A 27 84.319 -3.950 15.450 1.00 0.00 C ATOM 422 OD1 ASN A 27 83.158 -4.281 15.586 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.636 -3.037 14.573 1.00 0.00 N ATOM 0 H ASN A 27 83.461 -3.703 18.619 1.00 0.00 H new ATOM 0 HA ASN A 27 83.923 -5.621 17.457 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.228 -3.885 16.464 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.839 -5.451 15.780 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.910 -2.603 14.003 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.610 -2.758 14.457 1.00 0.00 H new ATOM 430 N LEU A 28 85.609 -6.087 19.673 1.00 0.00 N ATOM 431 CA LEU A 28 86.549 -6.905 20.504 1.00 0.00 C ATOM 432 C LEU A 28 85.807 -8.151 20.985 1.00 0.00 C ATOM 433 O LEU A 28 84.605 -8.134 21.126 1.00 0.00 O ATOM 434 CB LEU A 28 86.983 -6.083 21.725 1.00 0.00 C ATOM 435 CG LEU A 28 87.946 -4.964 21.299 1.00 0.00 C ATOM 436 CD1 LEU A 28 88.061 -3.928 22.426 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.344 -5.545 20.992 1.00 0.00 C ATOM 0 H LEU A 28 84.800 -5.725 20.177 1.00 0.00 H new ATOM 0 HA LEU A 28 87.424 -7.186 19.918 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.108 -5.653 22.212 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.468 -6.731 22.455 1.00 0.00 H new ATOM 0 HG LEU A 28 87.555 -4.489 20.399 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.744 -3.135 22.123 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.079 -3.502 22.630 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.442 -4.410 23.326 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.015 -4.740 20.692 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.739 -6.033 21.883 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.266 -6.273 20.184 1.00 0.00 H new ATOM 449 N PRO A 29 86.501 -9.229 21.239 1.00 0.00 N ATOM 450 CA PRO A 29 85.850 -10.475 21.717 1.00 0.00 C ATOM 451 C PRO A 29 85.349 -10.308 23.156 1.00 0.00 C ATOM 452 O PRO A 29 85.777 -9.420 23.866 1.00 0.00 O ATOM 453 CB PRO A 29 86.961 -11.533 21.627 1.00 0.00 C ATOM 454 CG PRO A 29 88.237 -10.764 21.737 1.00 0.00 C ATOM 455 CD PRO A 29 87.965 -9.392 21.109 1.00 0.00 C ATOM 0 HA PRO A 29 84.973 -10.748 21.130 1.00 0.00 H new ATOM 0 HB2 PRO A 29 86.872 -12.267 22.428 1.00 0.00 H new ATOM 0 HB3 PRO A 29 86.910 -12.080 20.686 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.541 -10.662 22.779 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.046 -11.277 21.217 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.504 -8.600 21.629 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.280 -9.360 20.066 1.00 0.00 H new ATOM 463 N PRO A 30 84.449 -11.147 23.584 1.00 0.00 N ATOM 464 CA PRO A 30 83.886 -11.085 24.964 1.00 0.00 C ATOM 465 C PRO A 30 84.989 -11.109 26.031 1.00 0.00 C ATOM 466 O PRO A 30 84.761 -10.781 27.179 1.00 0.00 O ATOM 467 CB PRO A 30 83.002 -12.353 25.065 1.00 0.00 C ATOM 468 CG PRO A 30 83.412 -13.216 23.909 1.00 0.00 C ATOM 469 CD PRO A 30 83.869 -12.258 22.817 1.00 0.00 C ATOM 0 HA PRO A 30 83.332 -10.162 25.138 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.158 -12.867 26.014 1.00 0.00 H new ATOM 0 HB3 PRO A 30 81.943 -12.100 25.010 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.215 -13.896 24.194 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.580 -13.831 23.566 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.602 -12.719 22.155 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.038 -11.929 22.193 1.00 0.00 H new ATOM 477 N VAL A 31 86.171 -11.522 25.670 1.00 0.00 N ATOM 478 CA VAL A 31 87.267 -11.599 26.675 1.00 0.00 C ATOM 479 C VAL A 31 87.542 -10.220 27.271 1.00 0.00 C ATOM 480 O VAL A 31 87.587 -10.054 28.474 1.00 0.00 O ATOM 481 CB VAL A 31 88.529 -12.140 25.999 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.717 -12.071 26.966 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.283 -13.592 25.590 1.00 0.00 C ATOM 0 H VAL A 31 86.425 -11.809 24.725 1.00 0.00 H new ATOM 0 HA VAL A 31 86.968 -12.267 27.483 1.00 0.00 H new ATOM 0 HB VAL A 31 88.759 -11.538 25.120 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.609 -12.458 26.474 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.886 -11.035 27.261 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.501 -12.670 27.851 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.175 -13.990 25.107 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.054 -14.186 26.475 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.444 -13.637 24.896 1.00 0.00 H new ATOM 493 N VAL A 32 87.731 -9.231 26.453 1.00 0.00 N ATOM 494 CA VAL A 32 87.991 -7.875 27.001 1.00 0.00 C ATOM 495 C VAL A 32 86.727 -7.363 27.694 1.00 0.00 C ATOM 496 O VAL A 32 86.767 -6.876 28.807 1.00 0.00 O ATOM 497 CB VAL A 32 88.390 -6.934 25.860 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.437 -5.491 26.370 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.771 -7.339 25.335 1.00 0.00 C ATOM 0 H VAL A 32 87.717 -9.299 25.435 1.00 0.00 H new ATOM 0 HA VAL A 32 88.804 -7.915 27.726 1.00 0.00 H new ATOM 0 HB VAL A 32 87.656 -7.004 25.057 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.721 -4.826 25.555 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.454 -5.206 26.745 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.169 -5.413 27.174 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.061 -6.673 24.522 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.502 -7.268 26.141 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.734 -8.365 24.968 1.00 0.00 H new ATOM 509 N ALA A 33 85.601 -7.474 27.040 1.00 0.00 N ATOM 510 CA ALA A 33 84.326 -6.995 27.647 1.00 0.00 C ATOM 511 C ALA A 33 84.043 -7.764 28.944 1.00 0.00 C ATOM 512 O ALA A 33 83.612 -7.196 29.926 1.00 0.00 O ATOM 513 CB ALA A 33 83.177 -7.197 26.649 1.00 0.00 C ATOM 0 H ALA A 33 85.510 -7.878 26.108 1.00 0.00 H new ATOM 0 HA ALA A 33 84.413 -5.934 27.882 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.245 -6.847 27.092 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.381 -6.632 25.740 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.088 -8.256 26.406 1.00 0.00 H new ATOM 519 N LYS A 34 84.285 -9.049 28.959 1.00 0.00 N ATOM 520 CA LYS A 34 84.035 -9.835 30.204 1.00 0.00 C ATOM 521 C LYS A 34 84.966 -9.349 31.319 1.00 0.00 C ATOM 522 O LYS A 34 84.579 -9.259 32.465 1.00 0.00 O ATOM 523 CB LYS A 34 84.279 -11.326 29.937 1.00 0.00 C ATOM 524 CG LYS A 34 83.136 -11.914 29.085 1.00 0.00 C ATOM 525 CD LYS A 34 81.977 -12.378 29.986 1.00 0.00 C ATOM 526 CE LYS A 34 80.719 -12.648 29.136 1.00 0.00 C ATOM 527 NZ LYS A 34 79.879 -11.418 29.089 1.00 0.00 N ATOM 0 H LYS A 34 84.643 -9.585 28.169 1.00 0.00 H new ATOM 0 HA LYS A 34 83.000 -9.693 30.514 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.230 -11.459 29.422 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.350 -11.864 30.882 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.778 -11.165 28.379 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.507 -12.754 28.498 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.263 -13.282 30.523 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.762 -11.617 30.736 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.005 -12.945 28.127 1.00 0.00 H new ATOM 0 HE3 LYS A 34 80.150 -13.474 29.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.210 -11.485 28.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 79.351 -11.324 29.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.489 -10.586 28.959 1.00 0.00 H new ATOM 541 N GLU A 35 86.199 -9.055 30.999 1.00 0.00 N ATOM 542 CA GLU A 35 87.145 -8.592 32.055 1.00 0.00 C ATOM 543 C GLU A 35 86.625 -7.299 32.686 1.00 0.00 C ATOM 544 O GLU A 35 86.698 -7.111 33.884 1.00 0.00 O ATOM 545 CB GLU A 35 88.529 -8.345 31.440 1.00 0.00 C ATOM 546 CG GLU A 35 89.556 -8.096 32.552 1.00 0.00 C ATOM 547 CD GLU A 35 89.424 -6.663 33.066 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.562 -5.752 32.267 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.191 -6.499 34.251 1.00 0.00 O ATOM 0 H GLU A 35 86.589 -9.115 30.059 1.00 0.00 H new ATOM 0 HA GLU A 35 87.225 -9.360 32.824 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.829 -9.205 30.841 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.491 -7.487 30.769 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.400 -8.801 33.369 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.564 -8.265 32.173 1.00 0.00 H new ATOM 556 N ILE A 36 86.090 -6.410 31.892 1.00 0.00 N ATOM 557 CA ILE A 36 85.562 -5.137 32.458 1.00 0.00 C ATOM 558 C ILE A 36 84.431 -5.462 33.433 1.00 0.00 C ATOM 559 O ILE A 36 84.322 -4.881 34.493 1.00 0.00 O ATOM 560 CB ILE A 36 85.030 -4.255 31.327 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.198 -3.804 30.443 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.347 -3.024 31.927 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.661 -3.147 29.166 1.00 0.00 C ATOM 0 H ILE A 36 85.996 -6.510 30.881 1.00 0.00 H new ATOM 0 HA ILE A 36 86.357 -4.605 32.980 1.00 0.00 H new ATOM 0 HB ILE A 36 84.314 -4.818 30.729 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.827 -3.100 30.988 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.824 -4.659 30.187 1.00 0.00 H new ATOM 0 HG21 ILE A 36 83.966 -2.392 31.125 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.520 -3.340 32.563 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.067 -2.462 32.521 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.496 -2.829 28.542 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.050 -3.864 28.617 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.054 -2.281 29.430 1.00 0.00 H new ATOM 575 N VAL A 37 83.610 -6.415 33.094 1.00 0.00 N ATOM 576 CA VAL A 37 82.500 -6.804 34.005 1.00 0.00 C ATOM 577 C VAL A 37 83.109 -7.301 35.316 1.00 0.00 C ATOM 578 O VAL A 37 82.616 -7.022 36.391 1.00 0.00 O ATOM 579 CB VAL A 37 81.682 -7.930 33.352 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.763 -8.594 34.393 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.841 -7.333 32.216 1.00 0.00 C ATOM 0 H VAL A 37 83.660 -6.943 32.223 1.00 0.00 H new ATOM 0 HA VAL A 37 81.846 -5.954 34.197 1.00 0.00 H new ATOM 0 HB VAL A 37 82.356 -8.689 32.955 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.189 -9.390 33.917 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.368 -9.014 35.197 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.080 -7.850 34.803 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.255 -8.122 31.744 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.170 -6.575 32.620 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.500 -6.878 31.476 1.00 0.00 H new ATOM 591 N ALA A 38 84.183 -8.028 35.221 1.00 0.00 N ATOM 592 CA ALA A 38 84.849 -8.556 36.440 1.00 0.00 C ATOM 593 C ALA A 38 85.427 -7.397 37.257 1.00 0.00 C ATOM 594 O ALA A 38 85.489 -7.454 38.470 1.00 0.00 O ATOM 595 CB ALA A 38 85.977 -9.501 36.020 1.00 0.00 C ATOM 0 H ALA A 38 84.633 -8.282 34.341 1.00 0.00 H new ATOM 0 HA ALA A 38 84.124 -9.094 37.051 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.472 -9.894 36.908 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.563 -10.326 35.440 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.700 -8.957 35.412 1.00 0.00 H new ATOM 601 N SER A 39 85.862 -6.353 36.607 1.00 0.00 N ATOM 602 CA SER A 39 86.444 -5.205 37.358 1.00 0.00 C ATOM 603 C SER A 39 85.335 -4.414 38.055 1.00 0.00 C ATOM 604 O SER A 39 85.495 -3.961 39.172 1.00 0.00 O ATOM 605 CB SER A 39 87.197 -4.284 36.397 1.00 0.00 C ATOM 606 OG SER A 39 88.270 -5.003 35.804 1.00 0.00 O ATOM 0 H SER A 39 85.840 -6.245 35.593 1.00 0.00 H new ATOM 0 HA SER A 39 87.134 -5.591 38.108 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.522 -3.913 35.626 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.578 -3.414 36.932 1.00 0.00 H new ATOM 0 HG SER A 39 87.970 -5.400 34.960 1.00 0.00 H new ATOM 612 N CYS A 40 84.212 -4.242 37.417 1.00 0.00 N ATOM 613 CA CYS A 40 83.105 -3.478 38.062 1.00 0.00 C ATOM 614 C CYS A 40 82.423 -4.377 39.098 1.00 0.00 C ATOM 615 O CYS A 40 81.875 -5.411 38.774 1.00 0.00 O ATOM 616 CB CYS A 40 82.098 -3.034 36.995 1.00 0.00 C ATOM 617 SG CYS A 40 80.989 -1.776 37.682 1.00 0.00 S ATOM 0 H CYS A 40 84.012 -4.595 36.481 1.00 0.00 H new ATOM 0 HA CYS A 40 83.500 -2.591 38.558 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.625 -2.633 36.129 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.520 -3.891 36.648 1.00 0.00 H new ATOM 0 HG CYS A 40 80.604 -0.973 36.735 1.00 0.00 H new ATOM 622 N ASP A 41 82.469 -3.999 40.350 1.00 0.00 N ATOM 623 CA ASP A 41 81.840 -4.838 41.410 1.00 0.00 C ATOM 624 C ASP A 41 80.337 -4.964 41.162 1.00 0.00 C ATOM 625 O ASP A 41 79.754 -6.012 41.356 1.00 0.00 O ATOM 626 CB ASP A 41 82.079 -4.198 42.778 1.00 0.00 C ATOM 627 CG ASP A 41 83.558 -4.321 43.147 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.099 -5.400 42.982 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.123 -3.337 43.591 1.00 0.00 O ATOM 0 H ASP A 41 82.916 -3.145 40.683 1.00 0.00 H new ATOM 0 HA ASP A 41 82.288 -5.831 41.386 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.784 -3.149 42.757 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.463 -4.687 43.533 1.00 0.00 H new ATOM 634 N LYS A 42 79.706 -3.903 40.754 1.00 0.00 N ATOM 635 CA LYS A 42 78.239 -3.961 40.515 1.00 0.00 C ATOM 636 C LYS A 42 77.921 -4.991 39.425 1.00 0.00 C ATOM 637 O LYS A 42 76.975 -5.746 39.534 1.00 0.00 O ATOM 638 CB LYS A 42 77.739 -2.583 40.074 1.00 0.00 C ATOM 639 CG LYS A 42 77.819 -1.614 41.254 1.00 0.00 C ATOM 640 CD LYS A 42 77.286 -0.241 40.843 1.00 0.00 C ATOM 641 CE LYS A 42 77.378 0.702 42.042 1.00 0.00 C ATOM 642 NZ LYS A 42 76.729 2.001 41.713 1.00 0.00 N ATOM 0 H LYS A 42 80.141 -2.998 40.575 1.00 0.00 H new ATOM 0 HA LYS A 42 77.741 -4.255 41.439 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.341 -2.214 39.244 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.712 -2.654 39.716 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.240 -2.001 42.093 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.851 -1.526 41.593 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.864 0.154 40.007 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.253 -0.323 40.506 1.00 0.00 H new ATOM 0 HE2 LYS A 42 76.893 0.252 42.908 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.422 0.864 42.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 76.794 2.639 42.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 77.210 2.433 40.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 75.729 1.840 41.479 1.00 0.00 H new ATOM 656 N CYS A 43 78.696 -5.028 38.372 1.00 0.00 N ATOM 657 CA CYS A 43 78.417 -6.009 37.282 1.00 0.00 C ATOM 658 C CYS A 43 78.935 -7.395 37.681 1.00 0.00 C ATOM 659 O CYS A 43 78.497 -8.403 37.165 1.00 0.00 O ATOM 660 CB CYS A 43 79.121 -5.581 35.994 1.00 0.00 C ATOM 661 SG CYS A 43 78.713 -3.864 35.608 1.00 0.00 S ATOM 0 H CYS A 43 79.505 -4.425 38.220 1.00 0.00 H new ATOM 0 HA CYS A 43 77.340 -6.045 37.120 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.200 -5.691 36.106 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.818 -6.229 35.172 1.00 0.00 H new ATOM 0 HG CYS A 43 79.502 -3.071 36.271 1.00 0.00 H new ATOM 666 N GLN A 44 79.889 -7.449 38.569 1.00 0.00 N ATOM 667 CA GLN A 44 80.460 -8.767 38.970 1.00 0.00 C ATOM 668 C GLN A 44 79.448 -9.549 39.817 1.00 0.00 C ATOM 669 O GLN A 44 78.940 -10.572 39.397 1.00 0.00 O ATOM 670 CB GLN A 44 81.731 -8.511 39.783 1.00 0.00 C ATOM 671 CG GLN A 44 82.469 -9.826 40.025 1.00 0.00 C ATOM 672 CD GLN A 44 83.722 -9.559 40.865 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.838 -9.217 40.274 1.00 0.00 O ATOM 674 NE2 GLN A 44 83.685 -9.655 42.074 1.00 0.00 N ATOM 0 H GLN A 44 80.298 -6.639 39.034 1.00 0.00 H new ATOM 0 HA GLN A 44 80.691 -9.357 38.083 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.378 -7.813 39.252 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.476 -8.047 40.736 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.817 -10.532 40.539 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.745 -10.281 39.074 1.00 0.00 H new ATOM 0 HE21 GLN A 44 82.817 -9.921 42.538 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.522 -9.469 42.626 1.00 0.00 H new ATOM 844 N PHE B 1 93.504 -14.514 21.697 1.00 0.00 N ATOM 845 CA PHE B 1 92.535 -14.190 22.784 1.00 0.00 C ATOM 846 C PHE B 1 91.915 -15.479 23.334 1.00 0.00 C ATOM 847 O PHE B 1 92.322 -15.986 24.359 1.00 0.00 O ATOM 848 CB PHE B 1 91.413 -13.296 22.243 1.00 0.00 C ATOM 849 CG PHE B 1 91.968 -11.945 21.847 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.800 -11.828 20.727 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.649 -10.808 22.601 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.312 -10.575 20.360 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.161 -9.558 22.238 1.00 0.00 C ATOM 854 CZ PHE B 1 92.991 -9.439 21.118 1.00 0.00 C ATOM 0 H1 PHE B 1 93.895 -13.633 21.306 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.276 -15.094 22.082 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.017 -15.041 20.944 1.00 0.00 H new ATOM 0 HA PHE B 1 93.070 -13.668 23.578 1.00 0.00 H new ATOM 0 HB2 PHE B 1 90.943 -13.771 21.382 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.639 -13.172 23.001 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.048 -12.703 20.145 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.006 -10.897 23.464 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.952 -10.485 19.495 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.915 -8.684 22.823 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.384 -8.473 20.837 1.00 0.00 H new ATOM 866 N LEU B 2 90.919 -15.998 22.667 1.00 0.00 N ATOM 867 CA LEU B 2 90.257 -17.244 23.154 1.00 0.00 C ATOM 868 C LEU B 2 91.247 -18.406 23.137 1.00 0.00 C ATOM 869 O LEU B 2 91.268 -19.227 24.035 1.00 0.00 O ATOM 870 CB LEU B 2 89.056 -17.569 22.257 1.00 0.00 C ATOM 871 CG LEU B 2 88.034 -16.426 22.333 1.00 0.00 C ATOM 872 CD1 LEU B 2 86.992 -16.599 21.225 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.325 -16.428 23.701 1.00 0.00 C ATOM 0 H LEU B 2 90.534 -15.613 21.805 1.00 0.00 H new ATOM 0 HA LEU B 2 89.914 -17.091 24.177 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.385 -17.708 21.227 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.595 -18.505 22.574 1.00 0.00 H new ATOM 0 HG LEU B 2 88.558 -15.479 22.207 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.266 -15.788 21.278 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.487 -16.580 20.254 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.480 -17.553 21.353 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.604 -15.612 23.738 1.00 0.00 H new ATOM 0 HD22 LEU B 2 86.807 -17.377 23.841 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.062 -16.297 24.493 1.00 0.00 H new ATOM 885 N ASP B 3 92.062 -18.492 22.127 1.00 0.00 N ATOM 886 CA ASP B 3 93.044 -19.611 22.057 1.00 0.00 C ATOM 887 C ASP B 3 94.033 -19.498 23.220 1.00 0.00 C ATOM 888 O ASP B 3 94.395 -20.479 23.839 1.00 0.00 O ATOM 889 CB ASP B 3 93.802 -19.528 20.734 1.00 0.00 C ATOM 890 CG ASP B 3 94.792 -20.695 20.626 1.00 0.00 C ATOM 891 OD1 ASP B 3 95.324 -21.097 21.646 1.00 0.00 O ATOM 892 OD2 ASP B 3 94.996 -21.165 19.520 1.00 0.00 O ATOM 0 H ASP B 3 92.093 -17.837 21.346 1.00 0.00 H new ATOM 0 HA ASP B 3 92.520 -20.564 22.122 1.00 0.00 H new ATOM 0 HB2 ASP B 3 93.100 -19.556 19.900 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.336 -18.580 20.669 1.00 0.00 H new ATOM 897 N GLY B 4 94.470 -18.306 23.520 1.00 0.00 N ATOM 898 CA GLY B 4 95.433 -18.118 24.643 1.00 0.00 C ATOM 899 C GLY B 4 94.771 -18.567 25.940 1.00 0.00 C ATOM 900 O GLY B 4 95.393 -19.149 26.807 1.00 0.00 O ATOM 0 H GLY B 4 94.201 -17.451 23.034 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.340 -18.695 24.463 1.00 0.00 H new ATOM 0 HA3 GLY B 4 95.730 -17.072 24.714 1.00 0.00 H new ATOM 904 N ILE B 5 93.510 -18.293 26.074 1.00 0.00 N ATOM 905 CA ILE B 5 92.777 -18.687 27.303 1.00 0.00 C ATOM 906 C ILE B 5 92.714 -20.219 27.408 1.00 0.00 C ATOM 907 O ILE B 5 92.827 -20.775 28.481 1.00 0.00 O ATOM 908 CB ILE B 5 91.368 -18.080 27.262 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.479 -16.568 27.499 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.491 -18.718 28.344 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.128 -15.894 27.247 1.00 0.00 C ATOM 0 H ILE B 5 92.948 -17.807 25.376 1.00 0.00 H new ATOM 0 HA ILE B 5 93.298 -18.311 28.184 1.00 0.00 H new ATOM 0 HB ILE B 5 90.911 -18.270 26.291 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.805 -16.376 28.521 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.235 -16.143 26.838 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.493 -18.281 28.308 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.424 -19.792 28.171 1.00 0.00 H new ATOM 0 HG23 ILE B 5 90.932 -18.535 29.324 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.219 -14.821 27.418 1.00 0.00 H new ATOM 0 HD12 ILE B 5 89.819 -16.072 26.217 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.383 -16.308 27.926 1.00 0.00 H new ATOM 923 N ASP B 6 92.511 -20.905 26.314 1.00 0.00 N ATOM 924 CA ASP B 6 92.421 -22.399 26.375 1.00 0.00 C ATOM 925 C ASP B 6 93.713 -22.999 26.931 1.00 0.00 C ATOM 926 O ASP B 6 93.689 -23.832 27.816 1.00 0.00 O ATOM 927 CB ASP B 6 92.185 -22.956 24.967 1.00 0.00 C ATOM 928 CG ASP B 6 92.155 -24.486 25.023 1.00 0.00 C ATOM 929 OD1 ASP B 6 93.199 -25.071 25.260 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.091 -25.048 24.822 1.00 0.00 O ATOM 0 H ASP B 6 92.404 -20.500 25.384 1.00 0.00 H new ATOM 0 HA ASP B 6 91.593 -22.665 27.032 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.244 -22.577 24.567 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.975 -22.621 24.295 1.00 0.00 H new ATOM 935 N LYS B 7 94.836 -22.604 26.416 1.00 0.00 N ATOM 936 CA LYS B 7 96.118 -23.170 26.916 1.00 0.00 C ATOM 937 C LYS B 7 96.344 -22.702 28.354 1.00 0.00 C ATOM 938 O LYS B 7 96.793 -23.445 29.204 1.00 0.00 O ATOM 939 CB LYS B 7 97.262 -22.684 26.028 1.00 0.00 C ATOM 940 CG LYS B 7 97.155 -23.344 24.649 1.00 0.00 C ATOM 941 CD LYS B 7 98.379 -22.976 23.801 1.00 0.00 C ATOM 942 CE LYS B 7 98.372 -21.470 23.499 1.00 0.00 C ATOM 943 NZ LYS B 7 99.268 -21.183 22.341 1.00 0.00 N ATOM 0 H LYS B 7 94.926 -21.914 25.670 1.00 0.00 H new ATOM 0 HA LYS B 7 96.080 -24.259 26.891 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.223 -21.599 25.928 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.221 -22.928 26.486 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.089 -24.427 24.758 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.243 -23.017 24.149 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.293 -23.245 24.330 1.00 0.00 H new ATOM 0 HD3 LYS B 7 98.371 -23.543 22.870 1.00 0.00 H new ATOM 0 HE2 LYS B 7 97.358 -21.139 23.277 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.704 -20.913 24.375 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.260 -20.163 22.140 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 100.237 -21.483 22.569 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 98.932 -21.703 21.505 1.00 0.00 H new ATOM 957 N ALA B 8 96.037 -21.465 28.623 1.00 0.00 N ATOM 958 CA ALA B 8 96.218 -20.919 29.997 1.00 0.00 C ATOM 959 C ALA B 8 95.199 -21.551 30.954 1.00 0.00 C ATOM 960 O ALA B 8 95.424 -21.638 32.146 1.00 0.00 O ATOM 961 CB ALA B 8 96.027 -19.402 29.958 1.00 0.00 C ATOM 0 H ALA B 8 95.665 -20.802 27.943 1.00 0.00 H new ATOM 0 HA ALA B 8 97.221 -21.154 30.354 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.158 -18.993 30.960 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.763 -18.960 29.287 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.024 -19.171 29.600 1.00 0.00 H new ATOM 967 N GLN B 9 94.070 -21.979 30.444 1.00 0.00 N ATOM 968 CA GLN B 9 93.032 -22.590 31.327 1.00 0.00 C ATOM 969 C GLN B 9 93.616 -23.827 32.016 1.00 0.00 C ATOM 970 O GLN B 9 94.231 -24.668 31.390 1.00 0.00 O ATOM 971 CB GLN B 9 91.821 -22.998 30.478 1.00 0.00 C ATOM 972 CG GLN B 9 90.660 -23.397 31.394 1.00 0.00 C ATOM 973 CD GLN B 9 89.443 -23.775 30.547 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.340 -23.387 29.399 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.508 -24.521 31.067 1.00 0.00 N ATOM 0 H GLN B 9 93.824 -21.931 29.455 1.00 0.00 H new ATOM 0 HA GLN B 9 92.720 -21.868 32.082 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.521 -22.171 29.834 1.00 0.00 H new ATOM 0 HB3 GLN B 9 92.085 -23.831 29.826 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.953 -24.237 32.023 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.409 -22.572 32.061 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.592 -24.847 32.030 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.692 -24.778 30.511 1.00 0.00 H new ATOM 984 N GLU B 10 93.441 -23.934 33.304 1.00 0.00 N ATOM 985 CA GLU B 10 93.993 -25.104 34.048 1.00 0.00 C ATOM 986 C GLU B 10 93.178 -25.320 35.323 1.00 0.00 C ATOM 987 O GLU B 10 92.512 -24.426 35.808 1.00 0.00 O ATOM 988 CB GLU B 10 95.465 -24.824 34.396 1.00 0.00 C ATOM 989 CG GLU B 10 96.072 -26.006 35.161 1.00 0.00 C ATOM 990 CD GLU B 10 97.539 -25.711 35.478 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.815 -24.629 35.974 1.00 0.00 O ATOM 992 OE2 GLU B 10 98.366 -26.571 35.223 1.00 0.00 O ATOM 0 H GLU B 10 92.937 -23.258 33.878 1.00 0.00 H new ATOM 0 HA GLU B 10 93.934 -26.004 33.435 1.00 0.00 H new ATOM 0 HB2 GLU B 10 96.033 -24.645 33.483 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.536 -23.919 34.999 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.518 -26.179 36.083 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.994 -26.916 34.566 1.00 0.00 H new ATOM 999 N GLU B 11 93.218 -26.501 35.866 1.00 0.00 N ATOM 1000 CA GLU B 11 92.443 -26.783 37.103 1.00 0.00 C ATOM 1001 C GLU B 11 92.731 -25.692 38.145 1.00 0.00 C ATOM 1002 O GLU B 11 93.770 -25.060 38.127 1.00 0.00 O ATOM 1003 CB GLU B 11 92.865 -28.149 37.655 1.00 0.00 C ATOM 1004 CG GLU B 11 91.900 -28.585 38.761 1.00 0.00 C ATOM 1005 CD GLU B 11 90.517 -28.852 38.160 1.00 0.00 C ATOM 1006 OE1 GLU B 11 90.284 -29.967 37.726 1.00 0.00 O ATOM 1007 OE2 GLU B 11 89.715 -27.932 38.144 1.00 0.00 O ATOM 0 H GLU B 11 93.757 -27.288 35.505 1.00 0.00 H new ATOM 0 HA GLU B 11 91.376 -26.792 36.879 1.00 0.00 H new ATOM 0 HB2 GLU B 11 92.872 -28.888 36.854 1.00 0.00 H new ATOM 0 HB3 GLU B 11 93.881 -28.095 38.047 1.00 0.00 H new ATOM 0 HG2 GLU B 11 92.275 -29.484 39.251 1.00 0.00 H new ATOM 0 HG3 GLU B 11 91.832 -27.810 39.525 1.00 0.00 H new ATOM 1014 N HIS B 12 91.810 -25.458 39.043 1.00 0.00 N ATOM 1015 CA HIS B 12 92.013 -24.403 40.078 1.00 0.00 C ATOM 1016 C HIS B 12 93.139 -24.821 41.022 1.00 0.00 C ATOM 1017 O HIS B 12 92.913 -25.175 42.162 1.00 0.00 O ATOM 1018 CB HIS B 12 90.713 -24.228 40.871 1.00 0.00 C ATOM 1019 CG HIS B 12 90.883 -23.178 41.936 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.693 -21.827 41.682 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.179 -23.271 43.275 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.869 -21.165 42.849 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.167 -22.002 43.843 1.00 0.00 N ATOM 0 H HIS B 12 90.922 -25.955 39.104 1.00 0.00 H new ATOM 0 HA HIS B 12 92.281 -23.462 39.598 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.905 -23.944 40.197 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.429 -25.176 41.328 1.00 0.00 H new ATOM 0 HD1 HIS B 12 90.463 -21.409 40.780 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.389 -24.189 43.804 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.779 -20.095 42.961 1.00 0.00 H new ATOM 1031 N GLU B 13 94.359 -24.787 40.542 1.00 0.00 N ATOM 1032 CA GLU B 13 95.530 -25.180 41.386 1.00 0.00 C ATOM 1033 C GLU B 13 96.249 -23.920 41.889 1.00 0.00 C ATOM 1034 O GLU B 13 95.648 -22.886 42.099 1.00 0.00 O ATOM 1035 CB GLU B 13 96.496 -26.039 40.540 1.00 0.00 C ATOM 1036 CG GLU B 13 97.201 -27.075 41.428 1.00 0.00 C ATOM 1037 CD GLU B 13 98.186 -27.885 40.583 1.00 0.00 C ATOM 1038 OE1 GLU B 13 97.876 -28.149 39.433 1.00 0.00 O ATOM 1039 OE2 GLU B 13 99.236 -28.230 41.104 1.00 0.00 O ATOM 0 H GLU B 13 94.595 -24.501 39.592 1.00 0.00 H new ATOM 0 HA GLU B 13 95.189 -25.758 42.245 1.00 0.00 H new ATOM 0 HB2 GLU B 13 95.945 -26.544 39.747 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.235 -25.400 40.058 1.00 0.00 H new ATOM 0 HG2 GLU B 13 97.728 -26.575 42.241 1.00 0.00 H new ATOM 0 HG3 GLU B 13 96.466 -27.738 41.885 1.00 0.00 H new ATOM 1046 N LYS B 14 97.535 -24.017 42.091 1.00 0.00 N ATOM 1047 CA LYS B 14 98.318 -22.853 42.589 1.00 0.00 C ATOM 1048 C LYS B 14 98.428 -21.763 41.513 1.00 0.00 C ATOM 1049 O LYS B 14 98.452 -20.587 41.811 1.00 0.00 O ATOM 1050 CB LYS B 14 99.717 -23.319 42.973 1.00 0.00 C ATOM 1051 CG LYS B 14 99.630 -24.208 44.212 1.00 0.00 C ATOM 1052 CD LYS B 14 101.036 -24.653 44.603 1.00 0.00 C ATOM 1053 CE LYS B 14 100.967 -25.544 45.840 1.00 0.00 C ATOM 1054 NZ LYS B 14 102.304 -26.156 46.075 1.00 0.00 N ATOM 0 H LYS B 14 98.081 -24.863 41.930 1.00 0.00 H new ATOM 0 HA LYS B 14 97.805 -22.435 43.455 1.00 0.00 H new ATOM 0 HB2 LYS B 14 100.169 -23.869 42.148 1.00 0.00 H new ATOM 0 HB3 LYS B 14 100.357 -22.460 43.172 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.165 -23.664 45.034 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.003 -25.076 44.009 1.00 0.00 H new ATOM 0 HD2 LYS B 14 101.499 -25.194 43.778 1.00 0.00 H new ATOM 0 HD3 LYS B 14 101.661 -23.783 44.804 1.00 0.00 H new ATOM 0 HE2 LYS B 14 100.663 -24.959 46.708 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.216 -26.322 45.702 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.264 -26.765 46.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 102.575 -26.726 45.248 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 103.008 -25.405 46.224 1.00 0.00 H new ATOM 1068 N TYR B 15 98.509 -22.145 40.266 1.00 0.00 N ATOM 1069 CA TYR B 15 98.644 -21.129 39.181 1.00 0.00 C ATOM 1070 C TYR B 15 97.424 -20.199 39.206 1.00 0.00 C ATOM 1071 O TYR B 15 97.545 -19.004 39.010 1.00 0.00 O ATOM 1072 CB TYR B 15 98.735 -21.834 37.820 1.00 0.00 C ATOM 1073 CG TYR B 15 100.132 -22.388 37.622 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.441 -23.677 38.072 1.00 0.00 C ATOM 1075 CD2 TYR B 15 101.115 -21.615 36.987 1.00 0.00 C ATOM 1076 CE1 TYR B 15 101.728 -24.194 37.891 1.00 0.00 C ATOM 1077 CE2 TYR B 15 102.405 -22.135 36.804 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.710 -23.425 37.257 1.00 0.00 C ATOM 1079 OH TYR B 15 103.978 -23.939 37.075 1.00 0.00 O ATOM 0 H TYR B 15 98.488 -23.115 39.952 1.00 0.00 H new ATOM 0 HA TYR B 15 99.550 -20.544 39.338 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.003 -22.640 37.768 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.495 -21.133 37.020 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.684 -24.273 38.560 1.00 0.00 H new ATOM 0 HD2 TYR B 15 100.879 -20.620 36.639 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.964 -25.188 38.241 1.00 0.00 H new ATOM 0 HE2 TYR B 15 103.163 -21.541 36.314 1.00 0.00 H new ATOM 0 HH TYR B 15 104.537 -23.277 36.618 1.00 0.00 H new ATOM 1089 N HIS B 16 96.252 -20.721 39.452 1.00 0.00 N ATOM 1090 CA HIS B 16 95.051 -19.838 39.497 1.00 0.00 C ATOM 1091 C HIS B 16 95.238 -18.795 40.608 1.00 0.00 C ATOM 1092 O HIS B 16 94.922 -17.635 40.436 1.00 0.00 O ATOM 1093 CB HIS B 16 93.793 -20.676 39.785 1.00 0.00 C ATOM 1094 CG HIS B 16 93.252 -21.260 38.506 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.892 -21.487 38.314 1.00 0.00 N ATOM 1096 CD2 HIS B 16 93.866 -21.649 37.340 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.739 -21.990 37.075 1.00 0.00 C ATOM 1098 NE2 HIS B 16 92.908 -22.107 36.444 1.00 0.00 N ATOM 0 H HIS B 16 96.075 -21.711 39.622 1.00 0.00 H new ATOM 0 HA HIS B 16 94.931 -19.339 38.536 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.033 -21.476 40.486 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.034 -20.054 40.259 1.00 0.00 H new ATOM 0 HD2 HIS B 16 94.928 -21.606 37.150 1.00 0.00 H new ATOM 0 HE1 HIS B 16 90.787 -22.265 36.645 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.066 -22.459 35.500 1.00 0.00 H new ATOM 1106 N SER B 17 95.759 -19.193 41.738 1.00 0.00 N ATOM 1107 CA SER B 17 95.958 -18.209 42.837 1.00 0.00 C ATOM 1108 C SER B 17 96.904 -17.113 42.351 1.00 0.00 C ATOM 1109 O SER B 17 96.627 -15.938 42.482 1.00 0.00 O ATOM 1110 CB SER B 17 96.574 -18.908 44.052 1.00 0.00 C ATOM 1111 OG SER B 17 97.896 -19.323 43.737 1.00 0.00 O ATOM 0 H SER B 17 96.052 -20.148 41.945 1.00 0.00 H new ATOM 0 HA SER B 17 94.999 -17.777 43.121 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.587 -18.232 44.907 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.969 -19.769 44.336 1.00 0.00 H new ATOM 0 HG SER B 17 97.876 -19.911 42.953 1.00 0.00 H new ATOM 1117 N ASN B 18 98.020 -17.486 41.780 1.00 0.00 N ATOM 1118 CA ASN B 18 98.983 -16.466 41.270 1.00 0.00 C ATOM 1119 C ASN B 18 98.729 -16.235 39.783 1.00 0.00 C ATOM 1120 O ASN B 18 99.329 -16.864 38.934 1.00 0.00 O ATOM 1121 CB ASN B 18 100.414 -16.965 41.459 1.00 0.00 C ATOM 1122 CG ASN B 18 100.698 -17.157 42.948 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.453 -16.273 43.747 1.00 0.00 O ATOM 1124 ND2 ASN B 18 101.199 -18.288 43.359 1.00 0.00 N ATOM 0 H ASN B 18 98.306 -18.456 41.645 1.00 0.00 H new ATOM 0 HA ASN B 18 98.847 -15.536 41.821 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.555 -17.906 40.927 1.00 0.00 H new ATOM 0 HB3 ASN B 18 101.118 -16.250 41.033 1.00 0.00 H new ATOM 0 HD21 ASN B 18 101.386 -18.432 44.351 1.00 0.00 H new ATOM 0 HD22 ASN B 18 101.404 -19.029 42.688 1.00 0.00 H new ATOM 1131 N TRP B 19 97.853 -15.330 39.455 1.00 0.00 N ATOM 1132 CA TRP B 19 97.573 -15.062 38.020 1.00 0.00 C ATOM 1133 C TRP B 19 98.778 -14.366 37.384 1.00 0.00 C ATOM 1134 O TRP B 19 98.962 -14.405 36.182 1.00 0.00 O ATOM 1135 CB TRP B 19 96.339 -14.173 37.879 1.00 0.00 C ATOM 1136 CG TRP B 19 96.569 -12.872 38.569 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.185 -12.574 39.833 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.231 -11.686 38.051 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.560 -11.272 40.118 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.212 -10.685 39.051 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.839 -11.384 36.820 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.774 -9.426 38.835 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.408 -10.123 36.600 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.375 -9.145 37.605 1.00 0.00 C ATOM 0 H TRP B 19 97.320 -14.766 40.117 1.00 0.00 H new ATOM 0 HA TRP B 19 97.387 -16.009 37.514 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.122 -14.002 36.825 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.470 -14.672 38.306 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.671 -13.242 40.508 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.377 -10.804 41.006 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.868 -12.129 36.039 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.745 -8.676 39.611 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.875 -9.903 35.651 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.814 -8.174 37.428 1.00 0.00 H new ATOM 1155 N ARG B 20 99.600 -13.725 38.169 1.00 0.00 N ATOM 1156 CA ARG B 20 100.777 -13.020 37.585 1.00 0.00 C ATOM 1157 C ARG B 20 101.678 -14.032 36.875 1.00 0.00 C ATOM 1158 O ARG B 20 102.190 -13.766 35.804 1.00 0.00 O ATOM 1159 CB ARG B 20 101.574 -12.346 38.706 1.00 0.00 C ATOM 1160 CG ARG B 20 100.783 -11.164 39.270 1.00 0.00 C ATOM 1161 CD ARG B 20 101.593 -10.525 40.397 1.00 0.00 C ATOM 1162 NE ARG B 20 100.824 -9.401 41.001 1.00 0.00 N ATOM 1163 CZ ARG B 20 101.196 -8.910 42.149 1.00 0.00 C ATOM 1164 NH1 ARG B 20 102.218 -9.428 42.777 1.00 0.00 N ATOM 1165 NH2 ARG B 20 100.540 -7.911 42.675 1.00 0.00 N ATOM 0 H ARG B 20 99.509 -13.659 39.183 1.00 0.00 H new ATOM 0 HA ARG B 20 100.432 -12.270 36.873 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.784 -13.065 39.498 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.535 -12.002 38.324 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.585 -10.433 38.486 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.816 -11.500 39.644 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.823 -11.270 41.159 1.00 0.00 H new ATOM 0 HD3 ARG B 20 102.545 -10.160 40.011 1.00 0.00 H new ATOM 0 HE ARG B 20 100.011 -9.018 40.519 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.722 -10.215 42.368 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.511 -9.046 43.676 1.00 0.00 H new ATOM 0 HH21 ARG B 20 99.736 -7.515 42.187 1.00 0.00 H new ATOM 0 HH22 ARG B 20 100.831 -7.526 43.574 1.00 0.00 H new ATOM 1179 N ALA B 21 101.859 -15.192 37.434 1.00 0.00 N ATOM 1180 CA ALA B 21 102.717 -16.205 36.757 1.00 0.00 C ATOM 1181 C ALA B 21 102.096 -16.545 35.401 1.00 0.00 C ATOM 1182 O ALA B 21 102.781 -16.693 34.409 1.00 0.00 O ATOM 1183 CB ALA B 21 102.797 -17.475 37.610 1.00 0.00 C ATOM 0 H ALA B 21 101.455 -15.484 38.324 1.00 0.00 H new ATOM 0 HA ALA B 21 103.721 -15.804 36.622 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.426 -18.211 37.109 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.226 -17.234 38.583 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.796 -17.885 37.746 1.00 0.00 H new ATOM 1189 N MET B 22 100.797 -16.669 35.354 1.00 0.00 N ATOM 1190 CA MET B 22 100.121 -17.002 34.069 1.00 0.00 C ATOM 1191 C MET B 22 100.400 -15.905 33.038 1.00 0.00 C ATOM 1192 O MET B 22 100.719 -16.180 31.899 1.00 0.00 O ATOM 1193 CB MET B 22 98.611 -17.097 34.309 1.00 0.00 C ATOM 1194 CG MET B 22 97.920 -17.679 33.073 1.00 0.00 C ATOM 1195 SD MET B 22 96.142 -17.347 33.159 1.00 0.00 S ATOM 1196 CE MET B 22 95.850 -18.073 34.789 1.00 0.00 C ATOM 0 H MET B 22 100.174 -16.553 36.153 1.00 0.00 H new ATOM 0 HA MET B 22 100.500 -17.953 33.694 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.411 -17.725 35.177 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.207 -16.109 34.531 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.339 -17.239 32.168 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.097 -18.753 33.016 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.817 -18.415 34.855 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.523 -18.918 34.937 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.034 -17.324 35.559 1.00 0.00 H new ATOM 1206 N ALA B 23 100.280 -14.667 33.422 1.00 0.00 N ATOM 1207 CA ALA B 23 100.536 -13.561 32.456 1.00 0.00 C ATOM 1208 C ALA B 23 102.006 -13.594 32.016 1.00 0.00 C ATOM 1209 O ALA B 23 102.323 -13.414 30.856 1.00 0.00 O ATOM 1210 CB ALA B 23 100.213 -12.223 33.135 1.00 0.00 C ATOM 0 H ALA B 23 100.016 -14.371 34.362 1.00 0.00 H new ATOM 0 HA ALA B 23 99.905 -13.680 31.575 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.397 -11.407 32.436 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.166 -12.212 33.438 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.846 -12.099 34.013 1.00 0.00 H new ATOM 1216 N SER B 24 102.902 -13.822 32.934 1.00 0.00 N ATOM 1217 CA SER B 24 104.348 -13.867 32.578 1.00 0.00 C ATOM 1218 C SER B 24 104.640 -15.111 31.734 1.00 0.00 C ATOM 1219 O SER B 24 105.404 -15.069 30.790 1.00 0.00 O ATOM 1220 CB SER B 24 105.183 -13.921 33.856 1.00 0.00 C ATOM 1221 OG SER B 24 106.561 -13.931 33.515 1.00 0.00 O ATOM 0 H SER B 24 102.695 -13.980 33.920 1.00 0.00 H new ATOM 0 HA SER B 24 104.603 -12.975 32.006 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.959 -13.061 34.487 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.932 -14.813 34.431 1.00 0.00 H new ATOM 0 HG SER B 24 107.100 -13.964 34.333 1.00 0.00 H new ATOM 1227 N ASP B 25 104.046 -16.221 32.080 1.00 0.00 N ATOM 1228 CA ASP B 25 104.296 -17.473 31.309 1.00 0.00 C ATOM 1229 C ASP B 25 103.864 -17.275 29.858 1.00 0.00 C ATOM 1230 O ASP B 25 104.524 -17.713 28.937 1.00 0.00 O ATOM 1231 CB ASP B 25 103.490 -18.617 31.926 1.00 0.00 C ATOM 1232 CG ASP B 25 103.752 -19.910 31.148 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.590 -19.896 29.939 1.00 0.00 O ATOM 1234 OD2 ASP B 25 104.113 -20.891 31.775 1.00 0.00 O ATOM 0 H ASP B 25 103.399 -16.315 32.863 1.00 0.00 H new ATOM 0 HA ASP B 25 105.359 -17.713 31.342 1.00 0.00 H new ATOM 0 HB2 ASP B 25 103.768 -18.748 32.972 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.427 -18.378 31.906 1.00 0.00 H new ATOM 1239 N PHE B 26 102.755 -16.617 29.650 1.00 0.00 N ATOM 1240 CA PHE B 26 102.264 -16.381 28.261 1.00 0.00 C ATOM 1241 C PHE B 26 102.619 -14.960 27.823 1.00 0.00 C ATOM 1242 O PHE B 26 102.288 -14.538 26.733 1.00 0.00 O ATOM 1243 CB PHE B 26 100.746 -16.560 28.224 1.00 0.00 C ATOM 1244 CG PHE B 26 100.404 -18.025 28.374 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.432 -18.863 27.253 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.055 -18.543 29.627 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.110 -20.218 27.385 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.734 -19.900 29.759 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.761 -20.738 28.638 1.00 0.00 C ATOM 0 H PHE B 26 102.165 -16.231 30.387 1.00 0.00 H new ATOM 0 HA PHE B 26 102.735 -17.095 27.585 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.282 -15.984 29.025 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.347 -16.178 27.284 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.702 -18.464 26.287 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.033 -17.896 30.492 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.131 -20.864 26.520 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.466 -20.300 30.726 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.513 -21.784 28.739 1.00 0.00 H new ATOM 1259 N ASN B 27 103.293 -14.222 28.664 1.00 0.00 N ATOM 1260 CA ASN B 27 103.672 -12.829 28.298 1.00 0.00 C ATOM 1261 C ASN B 27 102.418 -12.060 27.869 1.00 0.00 C ATOM 1262 O ASN B 27 102.422 -11.342 26.890 1.00 0.00 O ATOM 1263 CB ASN B 27 104.689 -12.851 27.151 1.00 0.00 C ATOM 1264 CG ASN B 27 106.016 -13.420 27.659 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.324 -13.321 28.831 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.818 -14.020 26.824 1.00 0.00 N ATOM 0 H ASN B 27 103.597 -14.525 29.589 1.00 0.00 H new ATOM 0 HA ASN B 27 104.123 -12.336 29.159 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.312 -13.458 26.328 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.838 -11.843 26.763 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.703 -14.406 27.154 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.561 -14.104 25.841 1.00 0.00 H new ATOM 1273 N LEU B 28 101.348 -12.206 28.611 1.00 0.00 N ATOM 1274 CA LEU B 28 100.070 -11.491 28.284 1.00 0.00 C ATOM 1275 C LEU B 28 99.764 -10.507 29.419 1.00 0.00 C ATOM 1276 O LEU B 28 100.162 -10.727 30.544 1.00 0.00 O ATOM 1277 CB LEU B 28 98.927 -12.520 28.192 1.00 0.00 C ATOM 1278 CG LEU B 28 99.074 -13.375 26.918 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.193 -14.629 27.026 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.648 -12.564 25.679 1.00 0.00 C ATOM 0 H LEU B 28 101.303 -12.798 29.441 1.00 0.00 H new ATOM 0 HA LEU B 28 100.165 -10.961 27.336 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.937 -13.163 29.072 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.966 -12.006 28.183 1.00 0.00 H new ATOM 0 HG LEU B 28 100.119 -13.668 26.815 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.302 -15.229 26.122 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.501 -15.217 27.891 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.151 -14.332 27.142 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.757 -13.180 24.786 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.607 -12.258 25.784 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.278 -11.679 25.589 1.00 0.00 H new ATOM 1292 N PRO B 29 99.060 -9.433 29.146 1.00 0.00 N ATOM 1293 CA PRO B 29 98.714 -8.434 30.199 1.00 0.00 C ATOM 1294 C PRO B 29 97.688 -9.009 31.185 1.00 0.00 C ATOM 1295 O PRO B 29 97.022 -9.982 30.893 1.00 0.00 O ATOM 1296 CB PRO B 29 98.131 -7.256 29.407 1.00 0.00 C ATOM 1297 CG PRO B 29 97.601 -7.861 28.149 1.00 0.00 C ATOM 1298 CD PRO B 29 98.523 -9.043 27.828 1.00 0.00 C ATOM 0 HA PRO B 29 99.571 -8.144 30.807 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.341 -6.756 29.968 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.894 -6.507 29.194 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.571 -8.194 28.280 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.601 -7.134 27.336 1.00 0.00 H new ATOM 0 HD2 PRO B 29 97.977 -9.862 27.360 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.318 -8.756 27.140 1.00 0.00 H new ATOM 1306 N PRO B 30 97.563 -8.419 32.343 1.00 0.00 N ATOM 1307 CA PRO B 30 96.600 -8.890 33.382 1.00 0.00 C ATOM 1308 C PRO B 30 95.171 -8.981 32.829 1.00 0.00 C ATOM 1309 O PRO B 30 94.310 -9.614 33.403 1.00 0.00 O ATOM 1310 CB PRO B 30 96.690 -7.810 34.492 1.00 0.00 C ATOM 1311 CG PRO B 30 97.403 -6.647 33.867 1.00 0.00 C ATOM 1312 CD PRO B 30 98.313 -7.239 32.794 1.00 0.00 C ATOM 0 HA PRO B 30 96.840 -9.891 33.740 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.698 -7.521 34.839 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.235 -8.184 35.359 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.694 -5.943 33.432 1.00 0.00 H new ATOM 0 HG3 PRO B 30 97.982 -6.099 34.610 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.488 -6.536 31.980 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.289 -7.510 33.196 1.00 0.00 H new ATOM 1320 N VAL B 31 94.911 -8.341 31.724 1.00 0.00 N ATOM 1321 CA VAL B 31 93.533 -8.368 31.161 1.00 0.00 C ATOM 1322 C VAL B 31 93.118 -9.802 30.837 1.00 0.00 C ATOM 1323 O VAL B 31 92.061 -10.252 31.233 1.00 0.00 O ATOM 1324 CB VAL B 31 93.503 -7.525 29.882 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.149 -7.664 29.184 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.741 -6.064 30.250 1.00 0.00 C ATOM 0 H VAL B 31 95.591 -7.802 31.188 1.00 0.00 H new ATOM 0 HA VAL B 31 92.837 -7.962 31.895 1.00 0.00 H new ATOM 0 HB VAL B 31 94.281 -7.872 29.202 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.143 -7.059 28.277 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.979 -8.709 28.924 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.358 -7.323 29.852 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.722 -5.454 29.347 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.959 -5.728 30.931 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.712 -5.964 30.735 1.00 0.00 H new ATOM 1336 N VAL B 32 93.931 -10.522 30.127 1.00 0.00 N ATOM 1337 CA VAL B 32 93.561 -11.923 29.792 1.00 0.00 C ATOM 1338 C VAL B 32 93.570 -12.763 31.070 1.00 0.00 C ATOM 1339 O VAL B 32 92.655 -13.518 31.337 1.00 0.00 O ATOM 1340 CB VAL B 32 94.562 -12.487 28.782 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.336 -13.993 28.617 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.366 -11.784 27.436 1.00 0.00 C ATOM 0 H VAL B 32 94.831 -10.207 29.765 1.00 0.00 H new ATOM 0 HA VAL B 32 92.564 -11.949 29.353 1.00 0.00 H new ATOM 0 HB VAL B 32 95.578 -12.317 29.139 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.051 -14.391 27.897 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.474 -14.489 29.578 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.322 -14.172 28.259 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.077 -12.181 26.711 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.350 -11.956 27.080 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.532 -10.713 27.557 1.00 0.00 H new ATOM 1352 N ALA B 33 94.602 -12.638 31.856 1.00 0.00 N ATOM 1353 CA ALA B 33 94.684 -13.425 33.116 1.00 0.00 C ATOM 1354 C ALA B 33 93.523 -13.039 34.041 1.00 0.00 C ATOM 1355 O ALA B 33 92.909 -13.883 34.665 1.00 0.00 O ATOM 1356 CB ALA B 33 96.023 -13.141 33.804 1.00 0.00 C ATOM 0 H ALA B 33 95.395 -12.022 31.679 1.00 0.00 H new ATOM 0 HA ALA B 33 94.616 -14.489 32.890 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.087 -13.716 34.728 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.840 -13.427 33.142 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.096 -12.078 34.033 1.00 0.00 H new ATOM 1362 N LYS B 34 93.214 -11.771 34.131 1.00 0.00 N ATOM 1363 CA LYS B 34 92.088 -11.341 35.011 1.00 0.00 C ATOM 1364 C LYS B 34 90.776 -11.946 34.500 1.00 0.00 C ATOM 1365 O LYS B 34 89.935 -12.360 35.273 1.00 0.00 O ATOM 1366 CB LYS B 34 91.982 -9.807 35.021 1.00 0.00 C ATOM 1367 CG LYS B 34 93.138 -9.190 35.836 1.00 0.00 C ATOM 1368 CD LYS B 34 92.779 -9.146 37.334 1.00 0.00 C ATOM 1369 CE LYS B 34 94.038 -8.853 38.175 1.00 0.00 C ATOM 1370 NZ LYS B 34 94.634 -10.141 38.628 1.00 0.00 N ATOM 0 H LYS B 34 93.691 -11.018 33.635 1.00 0.00 H new ATOM 0 HA LYS B 34 92.277 -11.690 36.026 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.007 -9.428 33.999 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.026 -9.506 35.449 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.046 -9.775 35.691 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.347 -8.183 35.476 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.027 -8.378 37.513 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.342 -10.097 37.639 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.762 -8.291 37.585 1.00 0.00 H new ATOM 0 HE3 LYS B 34 93.780 -8.235 39.035 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 95.354 -9.954 39.355 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.889 -10.747 39.027 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 95.076 -10.623 37.819 1.00 0.00 H new ATOM 1384 N GLU B 35 90.584 -11.991 33.211 1.00 0.00 N ATOM 1385 CA GLU B 35 89.313 -12.559 32.678 1.00 0.00 C ATOM 1386 C GLU B 35 89.188 -14.024 33.108 1.00 0.00 C ATOM 1387 O GLU B 35 88.123 -14.481 33.477 1.00 0.00 O ATOM 1388 CB GLU B 35 89.308 -12.473 31.148 1.00 0.00 C ATOM 1389 CG GLU B 35 87.915 -12.835 30.613 1.00 0.00 C ATOM 1390 CD GLU B 35 87.749 -14.352 30.610 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.530 -15.014 29.945 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.846 -14.826 31.275 1.00 0.00 O ATOM 0 H GLU B 35 91.246 -11.662 32.508 1.00 0.00 H new ATOM 0 HA GLU B 35 88.471 -11.990 33.073 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.580 -11.466 30.830 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.054 -13.151 30.734 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.145 -12.376 31.233 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.788 -12.443 29.604 1.00 0.00 H new ATOM 1399 N ILE B 36 90.267 -14.761 33.071 1.00 0.00 N ATOM 1400 CA ILE B 36 90.200 -16.191 33.484 1.00 0.00 C ATOM 1401 C ILE B 36 89.766 -16.262 34.950 1.00 0.00 C ATOM 1402 O ILE B 36 88.966 -17.093 35.334 1.00 0.00 O ATOM 1403 CB ILE B 36 91.579 -16.838 33.315 1.00 0.00 C ATOM 1404 CG1 ILE B 36 91.919 -16.922 31.822 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.555 -18.251 33.910 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.384 -17.333 31.640 1.00 0.00 C ATOM 0 H ILE B 36 91.187 -14.435 32.774 1.00 0.00 H new ATOM 0 HA ILE B 36 89.481 -16.725 32.863 1.00 0.00 H new ATOM 0 HB ILE B 36 92.330 -16.238 33.829 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.266 -17.645 31.332 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.741 -15.958 31.345 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.535 -18.713 33.791 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.307 -18.195 34.970 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.806 -18.851 33.393 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.616 -17.390 30.577 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.031 -16.594 32.114 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.548 -18.307 32.100 1.00 0.00 H new ATOM 1418 N VAL B 37 90.271 -15.380 35.764 1.00 0.00 N ATOM 1419 CA VAL B 37 89.877 -15.361 37.202 1.00 0.00 C ATOM 1420 C VAL B 37 88.370 -15.114 37.284 1.00 0.00 C ATOM 1421 O VAL B 37 87.669 -15.700 38.087 1.00 0.00 O ATOM 1422 CB VAL B 37 90.643 -14.242 37.921 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.017 -13.958 39.299 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.109 -14.663 38.100 1.00 0.00 C ATOM 0 H VAL B 37 90.946 -14.664 35.494 1.00 0.00 H new ATOM 0 HA VAL B 37 90.117 -16.310 37.680 1.00 0.00 H new ATOM 0 HB VAL B 37 90.589 -13.335 37.319 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.573 -13.162 39.794 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.979 -13.650 39.171 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.055 -14.861 39.909 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.656 -13.870 38.610 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.155 -15.576 38.694 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.558 -14.842 37.123 1.00 0.00 H new ATOM 1434 N ALA B 38 87.872 -14.239 36.458 1.00 0.00 N ATOM 1435 CA ALA B 38 86.415 -13.929 36.464 1.00 0.00 C ATOM 1436 C ALA B 38 85.618 -15.155 36.004 1.00 0.00 C ATOM 1437 O ALA B 38 84.502 -15.375 36.431 1.00 0.00 O ATOM 1438 CB ALA B 38 86.146 -12.758 35.513 1.00 0.00 C ATOM 0 H ALA B 38 88.418 -13.719 35.771 1.00 0.00 H new ATOM 0 HA ALA B 38 86.106 -13.663 37.475 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.081 -12.526 35.513 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.707 -11.884 35.844 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.458 -13.029 34.504 1.00 0.00 H new ATOM 1444 N SER B 39 86.174 -15.944 35.128 1.00 0.00 N ATOM 1445 CA SER B 39 85.432 -17.141 34.637 1.00 0.00 C ATOM 1446 C SER B 39 85.404 -18.221 35.720 1.00 0.00 C ATOM 1447 O SER B 39 84.407 -18.887 35.911 1.00 0.00 O ATOM 1448 CB SER B 39 86.124 -17.704 33.396 1.00 0.00 C ATOM 1449 OG SER B 39 86.101 -16.734 32.364 1.00 0.00 O ATOM 0 H SER B 39 87.105 -15.814 34.732 1.00 0.00 H new ATOM 0 HA SER B 39 84.413 -16.844 34.391 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.153 -17.976 33.632 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.621 -18.613 33.067 1.00 0.00 H new ATOM 0 HG SER B 39 86.881 -16.147 32.449 1.00 0.00 H new ATOM 1455 N CYS B 40 86.485 -18.401 36.428 1.00 0.00 N ATOM 1456 CA CYS B 40 86.510 -19.444 37.494 1.00 0.00 C ATOM 1457 C CYS B 40 85.747 -18.927 38.718 1.00 0.00 C ATOM 1458 O CYS B 40 86.096 -17.920 39.299 1.00 0.00 O ATOM 1459 CB CYS B 40 87.963 -19.755 37.873 1.00 0.00 C ATOM 1460 SG CYS B 40 88.020 -21.212 38.948 1.00 0.00 S ATOM 0 H CYS B 40 87.350 -17.873 36.316 1.00 0.00 H new ATOM 0 HA CYS B 40 86.036 -20.356 37.131 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.553 -19.932 36.974 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.407 -18.899 38.382 1.00 0.00 H new ATOM 0 HG CYS B 40 89.141 -21.844 38.763 1.00 0.00 H new ATOM 1465 N ASP B 41 84.697 -19.598 39.100 1.00 0.00 N ATOM 1466 CA ASP B 41 83.899 -19.138 40.272 1.00 0.00 C ATOM 1467 C ASP B 41 84.752 -19.150 41.537 1.00 0.00 C ATOM 1468 O ASP B 41 84.661 -18.270 42.369 1.00 0.00 O ATOM 1469 CB ASP B 41 82.696 -20.059 40.459 1.00 0.00 C ATOM 1470 CG ASP B 41 81.709 -19.830 39.317 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.362 -18.681 39.085 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.316 -20.804 38.692 1.00 0.00 O ATOM 0 H ASP B 41 84.355 -20.448 38.650 1.00 0.00 H new ATOM 0 HA ASP B 41 83.559 -18.119 40.089 1.00 0.00 H new ATOM 0 HB2 ASP B 41 83.018 -21.100 40.474 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.215 -19.860 41.417 1.00 0.00 H new ATOM 1477 N LYS B 42 85.567 -20.151 41.700 1.00 0.00 N ATOM 1478 CA LYS B 42 86.407 -20.227 42.927 1.00 0.00 C ATOM 1479 C LYS B 42 87.356 -19.025 42.999 1.00 0.00 C ATOM 1480 O LYS B 42 87.560 -18.451 44.052 1.00 0.00 O ATOM 1481 CB LYS B 42 87.223 -21.521 42.899 1.00 0.00 C ATOM 1482 CG LYS B 42 86.292 -22.718 43.093 1.00 0.00 C ATOM 1483 CD LYS B 42 87.111 -24.008 43.084 1.00 0.00 C ATOM 1484 CE LYS B 42 86.173 -25.204 43.258 1.00 0.00 C ATOM 1485 NZ LYS B 42 86.978 -26.439 43.469 1.00 0.00 N ATOM 0 H LYS B 42 85.689 -20.919 41.040 1.00 0.00 H new ATOM 0 HA LYS B 42 85.759 -20.215 43.803 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.752 -21.609 41.950 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.978 -21.504 43.685 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.753 -22.624 44.036 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.545 -22.743 42.300 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.661 -24.096 42.147 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.848 -23.990 43.887 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.510 -25.039 44.108 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.541 -25.315 42.377 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 86.341 -27.253 43.587 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 87.593 -26.598 42.645 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 87.563 -26.330 44.322 1.00 0.00 H new ATOM 1499 N CYS B 43 87.944 -18.634 41.899 1.00 0.00 N ATOM 1500 CA CYS B 43 88.877 -17.468 41.937 1.00 0.00 C ATOM 1501 C CYS B 43 88.082 -16.160 41.938 1.00 0.00 C ATOM 1502 O CYS B 43 88.575 -15.126 42.340 1.00 0.00 O ATOM 1503 CB CYS B 43 89.787 -17.475 40.706 1.00 0.00 C ATOM 1504 SG CYS B 43 90.595 -19.081 40.542 1.00 0.00 S ATOM 0 H CYS B 43 87.821 -19.066 40.983 1.00 0.00 H new ATOM 0 HA CYS B 43 89.478 -17.544 42.843 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.203 -17.260 39.811 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.537 -16.689 40.794 1.00 0.00 H new ATOM 0 HG CYS B 43 89.816 -19.895 39.894 1.00 0.00 H new ATOM 1509 N GLN B 44 86.867 -16.192 41.469 1.00 0.00 N ATOM 1510 CA GLN B 44 86.063 -14.940 41.416 1.00 0.00 C ATOM 1511 C GLN B 44 85.641 -14.530 42.832 1.00 0.00 C ATOM 1512 O GLN B 44 86.093 -13.530 43.357 1.00 0.00 O ATOM 1513 CB GLN B 44 84.820 -15.199 40.558 1.00 0.00 C ATOM 1514 CG GLN B 44 84.089 -13.886 40.280 1.00 0.00 C ATOM 1515 CD GLN B 44 82.842 -14.165 39.435 1.00 0.00 C ATOM 1516 OE1 GLN B 44 81.772 -14.377 39.967 1.00 0.00 O ATOM 1517 NE2 GLN B 44 82.935 -14.185 38.132 1.00 0.00 N ATOM 0 H GLN B 44 86.397 -17.028 41.121 1.00 0.00 H new ATOM 0 HA GLN B 44 86.656 -14.134 40.983 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.109 -15.669 39.618 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.154 -15.893 41.070 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.806 -13.409 41.218 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.749 -13.194 39.757 1.00 0.00 H new ATOM 0 HE21 GLN B 44 83.833 -14.007 37.682 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.110 -14.378 37.565 1.00 0.00 H new