USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=23 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= -4.02! C(o=-3.3!,f=-4.1!) USER MOD Set 1.2: B 16 HIS : no HD1:sc= 0.00787 K(o=-3.3,f=-4.4) USER MOD Set 1.3: B 22 MET CE :methyl -162:sc= -0.245 (180deg=-1.18) USER MOD Set 1.4: B 40 CYS SG : rot -144:sc= 1.19 USER MOD Set 1.5: B 43 CYS SG : rot -170:sc= -0.22 USER MOD Set 2.1: A 12 HIS : no HD1:sc= -3.9! C(o=-3.2!,f=-4!) USER MOD Set 2.2: A 16 HIS : no HD1:sc= 0.00352 K(o=-3.2,f=-4.1) USER MOD Set 2.3: A 22 MET CE :methyl -162:sc= -0.189 (180deg=-1.17) USER MOD Set 2.4: A 40 CYS SG : rot -143:sc= 1 USER MOD Set 2.5: A 43 CYS SG : rot -170:sc= -0.111 USER MOD Single : A 1 PHE N :NH3+ 151:sc= 0.499 (180deg=0.109) 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=-1.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.562 USER MOD Single : A 17 SER OG : rot 180:sc= -0.504 USER MOD Single : A 18 ASN : amide:sc=-0.00757 K(o=-0.0076,f=-1.2) USER MOD Single : A 24 SER OG : rot 78:sc= 0.358 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.0639 F(o=-0.92,f=-0.064) USER MOD Single : A 34 LYS NZ :NH3+ -130:sc= -1.28 (180deg=-3.79!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.071) USER MOD Single : A 44 GLN : amide:sc= -1.23 K(o=-1.2,f=-1.8!) USER MOD Single : B 1 PHE N :NH3+ 151:sc= 0.432 (180deg=0.113) 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 30:sc= -0.517 USER MOD Single : B 17 SER OG : rot 180:sc= -0.55 USER MOD Single : B 18 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : B 24 SER OG : rot 77:sc= 0.212 USER MOD Single : B 27 ASN :FLIP amide:sc= -0.0121 F(o=-0.56,f=-0.012) USER MOD Single : B 34 LYS NZ :NH3+ -128:sc= -1.4 (180deg=-3.84!) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0903) USER MOD Single : B 44 GLN :FLIP amide:sc= -1.13 F(o=-2.1!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.075 -3.727 23.901 1.00 0.00 N ATOM 2 CA PHE A 1 94.435 -4.253 25.141 1.00 0.00 C ATOM 3 C PHE A 1 94.081 -3.097 26.088 1.00 0.00 C ATOM 4 O PHE A 1 92.925 -2.805 26.323 1.00 0.00 O ATOM 5 CB PHE A 1 95.408 -5.192 25.867 1.00 0.00 C ATOM 6 CG PHE A 1 95.544 -6.502 25.119 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.492 -6.625 24.096 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.738 -7.602 25.464 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.636 -7.844 23.418 1.00 0.00 C ATOM 10 CE2 PHE A 1 94.882 -8.817 24.779 1.00 0.00 C ATOM 11 CZ PHE A 1 95.831 -8.938 23.758 1.00 0.00 C ATOM 0 H1 PHE A 1 95.726 -4.441 23.517 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.341 -3.512 23.196 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.605 -2.860 24.124 1.00 0.00 H new ATOM 0 HA PHE A 1 93.529 -4.790 24.860 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.384 -4.715 25.956 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.052 -5.381 26.880 1.00 0.00 H new ATOM 0 HD1 PHE A 1 97.112 -5.782 23.829 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.009 -7.511 26.256 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.370 -7.939 22.631 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.260 -9.660 25.040 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.943 -9.875 23.232 1.00 0.00 H new ATOM 23 N LEU A 2 95.070 -2.467 26.659 1.00 0.00 N ATOM 24 CA LEU A 2 94.815 -1.361 27.631 1.00 0.00 C ATOM 25 C LEU A 2 94.270 -0.105 26.934 1.00 0.00 C ATOM 26 O LEU A 2 93.443 0.601 27.476 1.00 0.00 O ATOM 27 CB LEU A 2 96.135 -1.013 28.325 1.00 0.00 C ATOM 28 CG LEU A 2 96.846 -2.302 28.768 1.00 0.00 C ATOM 29 CD1 LEU A 2 98.042 -1.945 29.648 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.880 -3.194 29.559 1.00 0.00 C ATOM 0 H LEU A 2 96.055 -2.672 26.493 1.00 0.00 H new ATOM 0 HA LEU A 2 94.067 -1.697 28.349 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.775 -0.448 27.647 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.945 -0.376 29.189 1.00 0.00 H new ATOM 0 HG LEU A 2 97.186 -2.842 27.884 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.547 -2.858 29.963 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.736 -1.322 29.083 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.697 -1.399 30.526 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.395 -4.104 29.867 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.530 -2.658 30.441 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.028 -3.454 28.931 1.00 0.00 H new ATOM 42 N ASP A 3 94.746 0.210 25.764 1.00 0.00 N ATOM 43 CA ASP A 3 94.264 1.452 25.088 1.00 0.00 C ATOM 44 C ASP A 3 92.768 1.368 24.748 1.00 0.00 C ATOM 45 O ASP A 3 92.019 2.301 24.981 1.00 0.00 O ATOM 46 CB ASP A 3 95.075 1.674 23.810 1.00 0.00 C ATOM 47 CG ASP A 3 96.533 1.925 24.193 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.771 2.257 25.341 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.385 1.778 23.336 1.00 0.00 O ATOM 0 H ASP A 3 95.441 -0.330 25.248 1.00 0.00 H new ATOM 0 HA ASP A 3 94.401 2.290 25.771 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.000 0.803 23.159 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.679 2.523 23.254 1.00 0.00 H new ATOM 54 N GLY A 4 92.320 0.277 24.206 1.00 0.00 N ATOM 55 CA GLY A 4 90.874 0.166 23.856 1.00 0.00 C ATOM 56 C GLY A 4 90.041 0.076 25.129 1.00 0.00 C ATOM 57 O GLY A 4 89.014 0.711 25.267 1.00 0.00 O ATOM 0 H GLY A 4 92.886 -0.543 23.989 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.565 1.031 23.269 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.707 -0.716 23.238 1.00 0.00 H new ATOM 61 N ILE A 5 90.474 -0.724 26.051 1.00 0.00 N ATOM 62 CA ILE A 5 89.725 -0.888 27.316 1.00 0.00 C ATOM 63 C ILE A 5 89.605 0.443 28.054 1.00 0.00 C ATOM 64 O ILE A 5 88.572 0.752 28.612 1.00 0.00 O ATOM 65 CB ILE A 5 90.468 -1.896 28.181 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.363 -3.271 27.506 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.847 -1.957 29.582 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.317 -4.281 28.161 1.00 0.00 C ATOM 0 H ILE A 5 91.327 -1.279 25.981 1.00 0.00 H new ATOM 0 HA ILE A 5 88.717 -1.241 27.100 1.00 0.00 H new ATOM 0 HB ILE A 5 91.512 -1.600 28.284 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.338 -3.636 27.575 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.598 -3.178 26.446 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.389 -2.682 30.189 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.908 -0.974 30.050 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.802 -2.258 29.504 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.222 -5.246 27.664 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.343 -3.925 28.069 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.064 -4.390 29.216 1.00 0.00 H new ATOM 80 N ASP A 6 90.634 1.237 28.073 1.00 0.00 N ATOM 81 CA ASP A 6 90.522 2.528 28.802 1.00 0.00 C ATOM 82 C ASP A 6 89.352 3.318 28.227 1.00 0.00 C ATOM 83 O ASP A 6 88.513 3.814 28.950 1.00 0.00 O ATOM 84 CB ASP A 6 91.811 3.338 28.650 1.00 0.00 C ATOM 85 CG ASP A 6 92.935 2.667 29.439 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.651 1.695 30.125 1.00 0.00 O ATOM 87 OD2 ASP A 6 94.059 3.136 29.343 1.00 0.00 O ATOM 0 H ASP A 6 91.532 1.055 27.625 1.00 0.00 H new ATOM 0 HA ASP A 6 90.357 2.331 29.861 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.085 3.410 27.597 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.658 4.355 29.010 1.00 0.00 H new ATOM 92 N LYS A 7 89.278 3.423 26.932 1.00 0.00 N ATOM 93 CA LYS A 7 88.142 4.164 26.315 1.00 0.00 C ATOM 94 C LYS A 7 86.854 3.372 26.532 1.00 0.00 C ATOM 95 O LYS A 7 85.823 3.917 26.885 1.00 0.00 O ATOM 96 CB LYS A 7 88.415 4.341 24.812 1.00 0.00 C ATOM 97 CG LYS A 7 87.278 5.133 24.151 1.00 0.00 C ATOM 98 CD LYS A 7 87.529 5.247 22.639 1.00 0.00 C ATOM 99 CE LYS A 7 88.608 6.292 22.349 1.00 0.00 C ATOM 100 NZ LYS A 7 88.597 6.600 20.892 1.00 0.00 N ATOM 0 H LYS A 7 89.951 3.030 26.274 1.00 0.00 H new ATOM 0 HA LYS A 7 88.036 5.147 26.775 1.00 0.00 H new ATOM 0 HB2 LYS A 7 89.362 4.862 24.667 1.00 0.00 H new ATOM 0 HB3 LYS A 7 88.512 3.365 24.336 1.00 0.00 H new ATOM 0 HG2 LYS A 7 86.324 4.638 24.334 1.00 0.00 H new ATOM 0 HG3 LYS A 7 87.211 6.127 24.593 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.836 4.279 22.242 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.604 5.521 22.131 1.00 0.00 H new ATOM 0 HE2 LYS A 7 88.422 7.197 22.928 1.00 0.00 H new ATOM 0 HE3 LYS A 7 89.587 5.917 22.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 89.327 7.310 20.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 88.792 5.733 20.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 87.664 6.973 20.623 1.00 0.00 H new ATOM 114 N ALA A 8 86.908 2.085 26.337 1.00 0.00 N ATOM 115 CA ALA A 8 85.695 1.246 26.544 1.00 0.00 C ATOM 116 C ALA A 8 85.291 1.271 28.014 1.00 0.00 C ATOM 117 O ALA A 8 84.124 1.241 28.350 1.00 0.00 O ATOM 118 CB ALA A 8 85.987 -0.194 26.116 1.00 0.00 C ATOM 0 H ALA A 8 87.742 1.576 26.042 1.00 0.00 H new ATOM 0 HA ALA A 8 84.878 1.645 25.942 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.098 -0.806 26.268 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.263 -0.211 25.062 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.808 -0.592 26.713 1.00 0.00 H new ATOM 124 N GLN A 9 86.244 1.304 28.899 1.00 0.00 N ATOM 125 CA GLN A 9 85.891 1.307 30.338 1.00 0.00 C ATOM 126 C GLN A 9 84.996 2.508 30.627 1.00 0.00 C ATOM 127 O GLN A 9 84.032 2.414 31.357 1.00 0.00 O ATOM 128 CB GLN A 9 87.162 1.388 31.182 1.00 0.00 C ATOM 129 CG GLN A 9 86.798 1.163 32.648 1.00 0.00 C ATOM 130 CD GLN A 9 88.057 1.248 33.512 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.157 1.354 33.002 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.943 1.203 34.811 1.00 0.00 N ATOM 0 H GLN A 9 87.242 1.329 28.689 1.00 0.00 H new ATOM 0 HA GLN A 9 85.361 0.388 30.589 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.881 0.638 30.853 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.636 2.361 31.057 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.073 1.910 32.971 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.327 0.188 32.770 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.022 1.114 35.239 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.775 1.257 35.398 1.00 0.00 H new ATOM 141 N GLU A 10 85.289 3.635 30.055 1.00 0.00 N ATOM 142 CA GLU A 10 84.423 4.811 30.307 1.00 0.00 C ATOM 143 C GLU A 10 83.006 4.499 29.838 1.00 0.00 C ATOM 144 O GLU A 10 82.039 4.821 30.499 1.00 0.00 O ATOM 145 CB GLU A 10 84.960 6.015 29.542 1.00 0.00 C ATOM 146 CG GLU A 10 84.170 7.259 29.941 1.00 0.00 C ATOM 147 CD GLU A 10 84.696 8.467 29.166 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.592 8.281 28.361 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.182 9.551 29.382 1.00 0.00 O ATOM 0 H GLU A 10 86.080 3.793 29.431 1.00 0.00 H new ATOM 0 HA GLU A 10 84.415 5.038 31.373 1.00 0.00 H new ATOM 0 HB2 GLU A 10 86.018 6.157 29.760 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.876 5.845 28.469 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.110 7.113 29.732 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.262 7.433 31.013 1.00 0.00 H new ATOM 156 N GLU A 11 82.872 3.866 28.702 1.00 0.00 N ATOM 157 CA GLU A 11 81.508 3.532 28.201 1.00 0.00 C ATOM 158 C GLU A 11 80.814 2.635 29.227 1.00 0.00 C ATOM 159 O GLU A 11 79.641 2.788 29.502 1.00 0.00 O ATOM 160 CB GLU A 11 81.627 2.801 26.848 1.00 0.00 C ATOM 161 CG GLU A 11 80.253 2.725 26.159 1.00 0.00 C ATOM 162 CD GLU A 11 79.966 4.035 25.418 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.600 5.025 25.745 1.00 0.00 O ATOM 164 OE2 GLU A 11 79.117 4.020 24.535 1.00 0.00 O ATOM 0 H GLU A 11 83.643 3.568 28.104 1.00 0.00 H new ATOM 0 HA GLU A 11 80.923 4.441 28.060 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.335 3.324 26.205 1.00 0.00 H new ATOM 0 HB3 GLU A 11 82.020 1.796 27.003 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.234 1.890 25.459 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.475 2.538 26.900 1.00 0.00 H new ATOM 171 N HIS A 12 81.526 1.704 29.806 1.00 0.00 N ATOM 172 CA HIS A 12 80.895 0.809 30.823 1.00 0.00 C ATOM 173 C HIS A 12 80.397 1.629 32.017 1.00 0.00 C ATOM 174 O HIS A 12 79.311 1.427 32.508 1.00 0.00 O ATOM 175 CB HIS A 12 81.902 -0.231 31.332 1.00 0.00 C ATOM 176 CG HIS A 12 81.187 -1.119 32.315 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.824 -2.448 32.027 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.657 -0.847 33.551 1.00 0.00 C ATOM 179 CE1 HIS A 12 80.094 -2.905 33.074 1.00 0.00 C ATOM 180 NE2 HIS A 12 79.980 -1.961 33.997 1.00 0.00 N ATOM 0 H HIS A 12 82.513 1.524 29.620 1.00 0.00 H new ATOM 0 HA HIS A 12 80.058 0.302 30.344 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.297 -0.818 30.503 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.751 0.260 31.808 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.754 0.086 34.086 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.667 -3.895 33.145 1.00 0.00 H new ATOM 0 HE2 HIS A 12 79.479 -2.044 34.882 1.00 0.00 H new ATOM 188 N GLU A 13 81.196 2.537 32.503 1.00 0.00 N ATOM 189 CA GLU A 13 80.775 3.356 33.679 1.00 0.00 C ATOM 190 C GLU A 13 79.522 4.177 33.355 1.00 0.00 C ATOM 191 O GLU A 13 78.608 4.282 34.154 1.00 0.00 O ATOM 192 CB GLU A 13 81.918 4.305 34.054 1.00 0.00 C ATOM 193 CG GLU A 13 81.599 5.007 35.380 1.00 0.00 C ATOM 194 CD GLU A 13 82.724 5.990 35.716 1.00 0.00 C ATOM 195 OE1 GLU A 13 83.647 6.094 34.922 1.00 0.00 O ATOM 196 OE2 GLU A 13 82.638 6.625 36.756 1.00 0.00 O ATOM 0 H GLU A 13 82.124 2.749 32.138 1.00 0.00 H new ATOM 0 HA GLU A 13 80.544 2.688 34.509 1.00 0.00 H new ATOM 0 HB2 GLU A 13 82.851 3.748 34.142 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.062 5.044 33.266 1.00 0.00 H new ATOM 0 HG2 GLU A 13 80.649 5.536 35.305 1.00 0.00 H new ATOM 0 HG3 GLU A 13 81.493 4.272 36.178 1.00 0.00 H new ATOM 203 N LYS A 14 79.491 4.779 32.200 1.00 0.00 N ATOM 204 CA LYS A 14 78.328 5.632 31.811 1.00 0.00 C ATOM 205 C LYS A 14 77.013 4.845 31.750 1.00 0.00 C ATOM 206 O LYS A 14 75.954 5.417 31.920 1.00 0.00 O ATOM 207 CB LYS A 14 78.598 6.258 30.441 1.00 0.00 C ATOM 208 CG LYS A 14 79.733 7.276 30.566 1.00 0.00 C ATOM 209 CD LYS A 14 80.148 7.768 29.173 1.00 0.00 C ATOM 210 CE LYS A 14 79.120 8.768 28.630 1.00 0.00 C ATOM 211 NZ LYS A 14 79.696 9.473 27.446 1.00 0.00 N ATOM 0 H LYS A 14 80.229 4.717 31.499 1.00 0.00 H new ATOM 0 HA LYS A 14 78.217 6.399 32.578 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.865 5.484 29.721 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.697 6.744 30.067 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.412 8.119 31.178 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.586 6.822 31.070 1.00 0.00 H new ATOM 0 HD2 LYS A 14 81.130 8.238 29.224 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.235 6.921 28.492 1.00 0.00 H new ATOM 0 HE2 LYS A 14 78.204 8.249 28.348 1.00 0.00 H new ATOM 0 HE3 LYS A 14 78.853 9.489 29.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 79.002 10.152 27.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 80.559 9.980 27.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 79.929 8.778 26.708 1.00 0.00 H new ATOM 225 N TYR A 15 77.047 3.564 31.455 1.00 0.00 N ATOM 226 CA TYR A 15 75.756 2.799 31.328 1.00 0.00 C ATOM 227 C TYR A 15 75.851 1.394 31.947 1.00 0.00 C ATOM 228 O TYR A 15 74.864 0.695 32.035 1.00 0.00 O ATOM 229 CB TYR A 15 75.431 2.657 29.832 1.00 0.00 C ATOM 230 CG TYR A 15 75.654 3.981 29.133 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.643 4.952 29.129 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.874 4.241 28.491 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.852 6.180 28.484 1.00 0.00 C ATOM 234 CE2 TYR A 15 77.084 5.469 27.847 1.00 0.00 C ATOM 235 CZ TYR A 15 76.072 6.441 27.843 1.00 0.00 C ATOM 236 OH TYR A 15 76.274 7.653 27.207 1.00 0.00 O ATOM 0 H TYR A 15 77.896 3.021 31.299 1.00 0.00 H new ATOM 0 HA TYR A 15 74.979 3.346 31.862 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.061 1.888 29.385 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.397 2.337 29.703 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.703 4.755 29.623 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.654 3.494 28.493 1.00 0.00 H new ATOM 0 HE1 TYR A 15 74.071 6.926 28.481 1.00 0.00 H new ATOM 0 HE2 TYR A 15 78.025 5.667 27.354 1.00 0.00 H new ATOM 0 HH TYR A 15 75.753 8.350 27.658 1.00 0.00 H new ATOM 246 N HIS A 16 77.012 0.946 32.330 1.00 0.00 N ATOM 247 CA HIS A 16 77.122 -0.435 32.884 1.00 0.00 C ATOM 248 C HIS A 16 76.547 -1.390 31.838 1.00 0.00 C ATOM 249 O HIS A 16 75.806 -2.300 32.150 1.00 0.00 O ATOM 250 CB HIS A 16 76.335 -0.597 34.205 1.00 0.00 C ATOM 251 CG HIS A 16 76.988 0.158 35.334 1.00 0.00 C ATOM 252 ND1 HIS A 16 78.053 -0.340 36.063 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.693 1.365 35.932 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.371 0.516 37.041 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.567 1.585 37.007 1.00 0.00 N ATOM 0 H HIS A 16 77.886 1.470 32.285 1.00 0.00 H new ATOM 0 HA HIS A 16 78.168 -0.649 33.103 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.315 -0.238 34.068 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.269 -1.654 34.463 1.00 0.00 H new ATOM 0 HD2 HIS A 16 75.908 2.039 35.620 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.165 0.365 37.757 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.586 2.391 37.632 1.00 0.00 H new ATOM 263 N SER A 17 76.865 -1.169 30.588 1.00 0.00 N ATOM 264 CA SER A 17 76.325 -2.036 29.512 1.00 0.00 C ATOM 265 C SER A 17 76.858 -3.464 29.660 1.00 0.00 C ATOM 266 O SER A 17 77.854 -3.703 30.315 1.00 0.00 O ATOM 267 CB SER A 17 76.734 -1.471 28.158 1.00 0.00 C ATOM 268 OG SER A 17 78.138 -1.611 27.997 1.00 0.00 O ATOM 0 H SER A 17 77.480 -0.419 30.270 1.00 0.00 H new ATOM 0 HA SER A 17 75.238 -2.061 29.586 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.210 -1.996 27.359 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.451 -0.421 28.089 1.00 0.00 H new ATOM 0 HG SER A 17 78.405 -1.250 27.126 1.00 0.00 H new ATOM 274 N ASN A 18 76.195 -4.414 29.061 1.00 0.00 N ATOM 275 CA ASN A 18 76.649 -5.829 29.162 1.00 0.00 C ATOM 276 C ASN A 18 77.889 -6.028 28.286 1.00 0.00 C ATOM 277 O ASN A 18 78.134 -5.273 27.369 1.00 0.00 O ATOM 278 CB ASN A 18 75.527 -6.748 28.680 1.00 0.00 C ATOM 279 CG ASN A 18 74.317 -6.629 29.610 1.00 0.00 C ATOM 280 OD1 ASN A 18 74.452 -6.236 30.751 1.00 0.00 O ATOM 281 ND2 ASN A 18 73.130 -6.944 29.165 1.00 0.00 N ATOM 0 H ASN A 18 75.354 -4.270 28.503 1.00 0.00 H new ATOM 0 HA ASN A 18 76.897 -6.066 30.197 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.241 -6.483 27.662 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.877 -7.780 28.655 1.00 0.00 H new ATOM 0 HD21 ASN A 18 72.317 -6.860 29.776 1.00 0.00 H new ATOM 0 HD22 ASN A 18 73.016 -7.274 28.207 1.00 0.00 H new ATOM 288 N TRP A 19 78.676 -7.030 28.563 1.00 0.00 N ATOM 289 CA TRP A 19 79.900 -7.260 27.744 1.00 0.00 C ATOM 290 C TRP A 19 79.514 -7.423 26.268 1.00 0.00 C ATOM 291 O TRP A 19 80.284 -7.110 25.380 1.00 0.00 O ATOM 292 CB TRP A 19 80.639 -8.507 28.250 1.00 0.00 C ATOM 293 CG TRP A 19 79.917 -9.757 27.841 1.00 0.00 C ATOM 294 CD1 TRP A 19 79.101 -10.475 28.649 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.939 -10.451 26.559 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.626 -11.569 27.947 1.00 0.00 N ATOM 297 CE2 TRP A 19 79.113 -11.597 26.655 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.589 -10.206 25.330 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.940 -12.470 25.577 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.412 -11.081 24.244 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.590 -12.209 24.368 1.00 0.00 C ATOM 0 H TRP A 19 78.526 -7.698 29.319 1.00 0.00 H new ATOM 0 HA TRP A 19 80.565 -6.401 27.837 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.653 -8.521 27.851 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.724 -8.469 29.336 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.860 -10.233 29.674 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.994 -12.269 28.336 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.226 -9.341 25.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.308 -13.340 25.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.913 -10.882 23.308 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.459 -12.877 23.529 1.00 0.00 H new ATOM 312 N ARG A 20 78.334 -7.914 25.992 1.00 0.00 N ATOM 313 CA ARG A 20 77.911 -8.088 24.573 1.00 0.00 C ATOM 314 C ARG A 20 77.815 -6.726 23.890 1.00 0.00 C ATOM 315 O ARG A 20 78.185 -6.565 22.744 1.00 0.00 O ATOM 316 CB ARG A 20 76.542 -8.769 24.521 1.00 0.00 C ATOM 317 CG ARG A 20 76.666 -10.211 25.002 1.00 0.00 C ATOM 318 CD ARG A 20 75.332 -10.924 24.786 1.00 0.00 C ATOM 319 NE ARG A 20 74.272 -10.221 25.563 1.00 0.00 N ATOM 320 CZ ARG A 20 73.014 -10.425 25.281 1.00 0.00 C ATOM 321 NH1 ARG A 20 72.689 -11.247 24.325 1.00 0.00 N ATOM 322 NH2 ARG A 20 72.088 -9.798 25.952 1.00 0.00 N ATOM 0 H ARG A 20 77.646 -8.202 26.688 1.00 0.00 H new ATOM 0 HA ARG A 20 78.648 -8.705 24.059 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.832 -8.227 25.145 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.153 -8.747 23.503 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.459 -10.723 24.457 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.939 -10.234 26.057 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.078 -10.933 23.726 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.405 -11.964 25.105 1.00 0.00 H new ATOM 0 HE ARG A 20 74.529 -9.581 26.314 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.417 -11.730 23.798 1.00 0.00 H new ATOM 0 HH12 ARG A 20 71.707 -11.408 24.103 1.00 0.00 H new ATOM 0 HH21 ARG A 20 72.347 -9.150 26.695 1.00 0.00 H new ATOM 0 HH22 ARG A 20 71.104 -9.956 25.733 1.00 0.00 H new ATOM 336 N ALA A 21 77.314 -5.751 24.588 1.00 0.00 N ATOM 337 CA ALA A 21 77.184 -4.393 23.993 1.00 0.00 C ATOM 338 C ALA A 21 78.571 -3.807 23.762 1.00 0.00 C ATOM 339 O ALA A 21 78.884 -3.321 22.694 1.00 0.00 O ATOM 340 CB ALA A 21 76.412 -3.495 24.964 1.00 0.00 C ATOM 0 H ALA A 21 76.987 -5.835 25.550 1.00 0.00 H new ATOM 0 HA ALA A 21 76.653 -4.456 23.043 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.312 -2.498 24.536 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.422 -3.915 25.139 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.952 -3.432 25.909 1.00 0.00 H new ATOM 346 N MET A 22 79.405 -3.842 24.758 1.00 0.00 N ATOM 347 CA MET A 22 80.771 -3.282 24.601 1.00 0.00 C ATOM 348 C MET A 22 81.525 -4.020 23.498 1.00 0.00 C ATOM 349 O MET A 22 82.251 -3.427 22.726 1.00 0.00 O ATOM 350 CB MET A 22 81.544 -3.430 25.905 1.00 0.00 C ATOM 351 CG MET A 22 80.921 -2.530 26.976 1.00 0.00 C ATOM 352 SD MET A 22 81.989 -2.497 28.436 1.00 0.00 S ATOM 353 CE MET A 22 81.664 -4.183 29.014 1.00 0.00 C ATOM 0 H MET A 22 79.199 -4.235 25.676 1.00 0.00 H new ATOM 0 HA MET A 22 80.681 -2.228 24.338 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.527 -4.469 26.234 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.589 -3.161 25.753 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.790 -1.521 26.586 1.00 0.00 H new ATOM 0 HG3 MET A 22 79.931 -2.899 27.245 1.00 0.00 H new ATOM 0 HE1 MET A 22 81.962 -4.273 30.059 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.600 -4.401 28.920 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.234 -4.890 28.412 1.00 0.00 H new ATOM 363 N ALA A 23 81.375 -5.310 23.427 1.00 0.00 N ATOM 364 CA ALA A 23 82.104 -6.073 22.377 1.00 0.00 C ATOM 365 C ALA A 23 81.699 -5.549 20.998 1.00 0.00 C ATOM 366 O ALA A 23 82.533 -5.333 20.141 1.00 0.00 O ATOM 367 CB ALA A 23 81.766 -7.561 22.505 1.00 0.00 C ATOM 0 H ALA A 23 80.784 -5.867 24.044 1.00 0.00 H new ATOM 0 HA ALA A 23 83.179 -5.944 22.501 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.298 -8.122 21.737 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.066 -7.919 23.490 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.693 -7.702 22.379 1.00 0.00 H new ATOM 373 N SER A 24 80.430 -5.333 20.782 1.00 0.00 N ATOM 374 CA SER A 24 79.975 -4.808 19.458 1.00 0.00 C ATOM 375 C SER A 24 80.386 -3.338 19.301 1.00 0.00 C ATOM 376 O SER A 24 80.726 -2.890 18.222 1.00 0.00 O ATOM 377 CB SER A 24 78.457 -4.917 19.357 1.00 0.00 C ATOM 378 OG SER A 24 78.061 -6.234 19.710 1.00 0.00 O ATOM 0 H SER A 24 79.688 -5.496 21.462 1.00 0.00 H new ATOM 0 HA SER A 24 80.441 -5.398 18.668 1.00 0.00 H new ATOM 0 HB2 SER A 24 77.983 -4.192 20.019 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.130 -4.685 18.343 1.00 0.00 H new ATOM 0 HG SER A 24 78.072 -6.329 20.685 1.00 0.00 H new ATOM 384 N ASP A 25 80.335 -2.580 20.367 1.00 0.00 N ATOM 385 CA ASP A 25 80.697 -1.129 20.285 1.00 0.00 C ATOM 386 C ASP A 25 82.144 -0.969 19.828 1.00 0.00 C ATOM 387 O ASP A 25 82.465 -0.085 19.061 1.00 0.00 O ATOM 388 CB ASP A 25 80.549 -0.486 21.666 1.00 0.00 C ATOM 389 CG ASP A 25 79.071 -0.421 22.055 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.238 -0.641 21.191 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.798 -0.149 23.215 1.00 0.00 O ATOM 0 H ASP A 25 80.058 -2.903 21.294 1.00 0.00 H new ATOM 0 HA ASP A 25 80.033 -0.646 19.569 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.104 -1.062 22.406 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.976 0.517 21.657 1.00 0.00 H new ATOM 396 N PHE A 26 83.021 -1.807 20.313 1.00 0.00 N ATOM 397 CA PHE A 26 84.466 -1.713 19.932 1.00 0.00 C ATOM 398 C PHE A 26 84.864 -2.906 19.060 1.00 0.00 C ATOM 399 O PHE A 26 85.999 -3.027 18.649 1.00 0.00 O ATOM 400 CB PHE A 26 85.305 -1.708 21.205 1.00 0.00 C ATOM 401 CG PHE A 26 85.013 -0.445 21.986 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.688 0.737 21.663 1.00 0.00 C ATOM 403 CD2 PHE A 26 84.067 -0.452 23.023 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.423 1.913 22.374 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.803 0.729 23.734 1.00 0.00 C ATOM 406 CZ PHE A 26 84.483 1.910 23.407 1.00 0.00 C ATOM 0 H PHE A 26 82.798 -2.561 20.963 1.00 0.00 H new ATOM 0 HA PHE A 26 84.635 -0.797 19.365 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.076 -2.585 21.810 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.365 -1.760 20.957 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.415 0.742 20.864 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.544 -1.363 23.273 1.00 0.00 H new ATOM 0 HE1 PHE A 26 85.946 2.824 22.124 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.076 0.728 24.533 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.280 2.819 23.954 1.00 0.00 H new ATOM 416 N ASN A 27 83.946 -3.790 18.783 1.00 0.00 N ATOM 417 CA ASN A 27 84.277 -4.977 17.940 1.00 0.00 C ATOM 418 C ASN A 27 85.452 -5.747 18.557 1.00 0.00 C ATOM 419 O ASN A 27 86.410 -6.064 17.883 1.00 0.00 O ATOM 420 CB ASN A 27 84.650 -4.525 16.529 1.00 0.00 C ATOM 421 CG ASN A 27 83.558 -3.608 15.978 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.307 -3.871 16.240 1.00 0.00 O flip ATOM 423 ND2 ASN A 27 83.847 -2.635 15.316 1.00 0.00 N flip ATOM 0 H ASN A 27 82.979 -3.743 19.104 1.00 0.00 H new ATOM 0 HA ASN A 27 83.405 -5.629 17.892 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.605 -4.000 16.545 1.00 0.00 H new ATOM 0 HB3 ASN A 27 84.773 -5.392 15.879 1.00 0.00 H new ATOM 0 HD21 ASN A 27 84.825 -2.430 15.111 1.00 0.00 H new ATOM 0 HD22 ASN A 27 83.112 -2.021 14.964 1.00 0.00 H new ATOM 430 N LEU A 28 85.382 -6.044 19.833 1.00 0.00 N ATOM 431 CA LEU A 28 86.487 -6.798 20.520 1.00 0.00 C ATOM 432 C LEU A 28 85.924 -8.136 21.010 1.00 0.00 C ATOM 433 O LEU A 28 84.743 -8.243 21.267 1.00 0.00 O ATOM 434 CB LEU A 28 86.971 -5.966 21.722 1.00 0.00 C ATOM 435 CG LEU A 28 87.671 -4.688 21.224 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.895 -3.729 22.400 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.031 -5.033 20.589 1.00 0.00 C ATOM 0 H LEU A 28 84.599 -5.795 20.437 1.00 0.00 H new ATOM 0 HA LEU A 28 87.320 -6.976 19.840 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.126 -5.704 22.359 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.658 -6.554 22.330 1.00 0.00 H new ATOM 0 HG LEU A 28 87.036 -4.214 20.475 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.391 -2.826 22.044 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.934 -3.465 22.843 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.519 -4.213 23.151 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.513 -4.119 20.242 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.666 -5.519 21.330 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.878 -5.705 19.745 1.00 0.00 H new ATOM 449 N PRO A 29 86.746 -9.155 21.152 1.00 0.00 N ATOM 450 CA PRO A 29 86.271 -10.483 21.639 1.00 0.00 C ATOM 451 C PRO A 29 85.642 -10.378 23.039 1.00 0.00 C ATOM 452 O PRO A 29 85.867 -9.426 23.756 1.00 0.00 O ATOM 453 CB PRO A 29 87.544 -11.356 21.671 1.00 0.00 C ATOM 454 CG PRO A 29 88.690 -10.393 21.632 1.00 0.00 C ATOM 455 CD PRO A 29 88.191 -9.175 20.858 1.00 0.00 C ATOM 0 HA PRO A 29 85.493 -10.899 20.999 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.577 -11.969 22.572 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.574 -12.037 20.820 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.000 -10.115 22.639 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.557 -10.838 21.143 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.682 -8.260 21.189 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.383 -9.271 19.789 1.00 0.00 H new ATOM 463 N PRO A 30 84.869 -11.356 23.420 1.00 0.00 N ATOM 464 CA PRO A 30 84.200 -11.378 24.750 1.00 0.00 C ATOM 465 C PRO A 30 85.216 -11.258 25.893 1.00 0.00 C ATOM 466 O PRO A 30 84.932 -10.724 26.940 1.00 0.00 O ATOM 467 CB PRO A 30 83.488 -12.752 24.784 1.00 0.00 C ATOM 468 CG PRO A 30 84.116 -13.556 23.687 1.00 0.00 C ATOM 469 CD PRO A 30 84.541 -12.551 22.629 1.00 0.00 C ATOM 0 HA PRO A 30 83.514 -10.541 24.883 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.619 -13.238 25.751 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.415 -12.642 24.625 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.972 -14.120 24.057 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.410 -14.279 23.279 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.399 -12.905 22.058 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.742 -12.355 21.914 1.00 0.00 H new ATOM 477 N VAL A 31 86.388 -11.773 25.707 1.00 0.00 N ATOM 478 CA VAL A 31 87.391 -11.711 26.798 1.00 0.00 C ATOM 479 C VAL A 31 87.648 -10.269 27.188 1.00 0.00 C ATOM 480 O VAL A 31 87.640 -9.921 28.353 1.00 0.00 O ATOM 481 CB VAL A 31 88.702 -12.330 26.314 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.742 -12.359 27.445 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.441 -13.751 25.825 1.00 0.00 C ATOM 0 H VAL A 31 86.698 -12.233 24.851 1.00 0.00 H new ATOM 0 HA VAL A 31 87.010 -12.258 27.660 1.00 0.00 H new ATOM 0 HB VAL A 31 89.094 -11.722 25.499 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.667 -12.804 27.078 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.938 -11.342 27.785 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.360 -12.952 28.276 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.375 -14.194 25.479 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.036 -14.348 26.642 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.725 -13.727 25.004 1.00 0.00 H new ATOM 493 N VAL A 32 87.903 -9.424 26.239 1.00 0.00 N ATOM 494 CA VAL A 32 88.187 -8.018 26.599 1.00 0.00 C ATOM 495 C VAL A 32 86.933 -7.389 27.187 1.00 0.00 C ATOM 496 O VAL A 32 86.974 -6.750 28.215 1.00 0.00 O ATOM 497 CB VAL A 32 88.641 -7.236 25.369 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.938 -5.781 25.761 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.910 -7.888 24.808 1.00 0.00 C ATOM 0 H VAL A 32 87.927 -9.642 25.243 1.00 0.00 H new ATOM 0 HA VAL A 32 88.988 -7.990 27.337 1.00 0.00 H new ATOM 0 HB VAL A 32 87.855 -7.247 24.614 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.262 -5.226 24.881 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.037 -5.323 26.168 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.727 -5.761 26.513 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.244 -7.337 23.928 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.693 -7.871 25.566 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.696 -8.920 24.530 1.00 0.00 H new ATOM 509 N ALA A 33 85.813 -7.568 26.550 1.00 0.00 N ATOM 510 CA ALA A 33 84.564 -6.977 27.095 1.00 0.00 C ATOM 511 C ALA A 33 84.228 -7.617 28.447 1.00 0.00 C ATOM 512 O ALA A 33 83.936 -6.936 29.410 1.00 0.00 O ATOM 513 CB ALA A 33 83.419 -7.218 26.111 1.00 0.00 C ATOM 0 H ALA A 33 85.708 -8.094 25.682 1.00 0.00 H new ATOM 0 HA ALA A 33 84.704 -5.905 27.237 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.501 -6.785 26.508 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.656 -6.751 25.155 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.282 -8.290 25.967 1.00 0.00 H new ATOM 519 N LYS A 34 84.262 -8.922 28.528 1.00 0.00 N ATOM 520 CA LYS A 34 83.932 -9.590 29.820 1.00 0.00 C ATOM 521 C LYS A 34 84.914 -9.170 30.912 1.00 0.00 C ATOM 522 O LYS A 34 84.550 -9.045 32.063 1.00 0.00 O ATOM 523 CB LYS A 34 83.991 -11.105 29.650 1.00 0.00 C ATOM 524 CG LYS A 34 82.825 -11.574 28.776 1.00 0.00 C ATOM 525 CD LYS A 34 82.941 -13.088 28.559 1.00 0.00 C ATOM 526 CE LYS A 34 82.664 -13.841 29.870 1.00 0.00 C ATOM 527 NZ LYS A 34 83.930 -13.951 30.646 1.00 0.00 N ATOM 0 H LYS A 34 84.502 -9.549 27.761 1.00 0.00 H new ATOM 0 HA LYS A 34 82.926 -9.289 30.113 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.938 -11.392 29.194 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.946 -11.592 30.624 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.876 -11.334 29.254 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.840 -11.054 27.818 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.234 -13.407 27.793 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.938 -13.334 28.195 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.910 -13.314 30.454 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.266 -14.833 29.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 84.072 -14.938 30.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 84.728 -13.648 30.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 83.875 -13.343 31.488 1.00 0.00 H new ATOM 541 N GLU A 35 86.153 -8.965 30.576 1.00 0.00 N ATOM 542 CA GLU A 35 87.129 -8.581 31.622 1.00 0.00 C ATOM 543 C GLU A 35 86.691 -7.266 32.270 1.00 0.00 C ATOM 544 O GLU A 35 86.800 -7.090 33.464 1.00 0.00 O ATOM 545 CB GLU A 35 88.521 -8.432 31.011 1.00 0.00 C ATOM 546 CG GLU A 35 89.562 -8.306 32.130 1.00 0.00 C ATOM 547 CD GLU A 35 89.508 -6.897 32.728 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.073 -5.993 32.031 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.900 -6.747 33.877 1.00 0.00 O ATOM 0 H GLU A 35 86.528 -9.046 29.631 1.00 0.00 H new ATOM 0 HA GLU A 35 87.167 -9.360 32.384 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.748 -9.294 30.384 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.555 -7.553 30.368 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.369 -9.048 32.905 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.559 -8.507 31.737 1.00 0.00 H new ATOM 556 N ILE A 36 86.170 -6.348 31.501 1.00 0.00 N ATOM 557 CA ILE A 36 85.713 -5.059 32.097 1.00 0.00 C ATOM 558 C ILE A 36 84.623 -5.355 33.125 1.00 0.00 C ATOM 559 O ILE A 36 84.563 -4.748 34.177 1.00 0.00 O ATOM 560 CB ILE A 36 85.159 -4.161 30.991 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.293 -3.871 30.008 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.632 -2.850 31.594 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.785 -3.003 28.857 1.00 0.00 C ATOM 0 H ILE A 36 86.042 -6.433 30.493 1.00 0.00 H new ATOM 0 HA ILE A 36 86.545 -4.550 32.583 1.00 0.00 H new ATOM 0 HB ILE A 36 84.334 -4.655 30.478 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.109 -3.364 30.523 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.694 -4.806 29.618 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.239 -2.216 30.799 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.838 -3.071 32.308 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.444 -2.332 32.104 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.602 -2.803 28.164 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.984 -3.525 28.333 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.406 -2.060 29.252 1.00 0.00 H new ATOM 575 N VAL A 37 83.760 -6.278 32.824 1.00 0.00 N ATOM 576 CA VAL A 37 82.674 -6.618 33.781 1.00 0.00 C ATOM 577 C VAL A 37 83.295 -7.165 35.063 1.00 0.00 C ATOM 578 O VAL A 37 82.839 -6.892 36.153 1.00 0.00 O ATOM 579 CB VAL A 37 81.750 -7.664 33.157 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.680 -8.070 34.175 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.079 -7.063 31.917 1.00 0.00 C ATOM 0 H VAL A 37 83.758 -6.813 31.956 1.00 0.00 H new ATOM 0 HA VAL A 37 82.091 -5.727 34.013 1.00 0.00 H new ATOM 0 HB VAL A 37 82.327 -8.544 32.871 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.020 -8.816 33.732 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.160 -8.490 35.059 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.098 -7.194 34.460 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.418 -7.803 31.466 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.499 -6.187 32.206 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.842 -6.771 31.196 1.00 0.00 H new ATOM 591 N ALA A 38 84.337 -7.933 34.935 1.00 0.00 N ATOM 592 CA ALA A 38 84.993 -8.503 36.142 1.00 0.00 C ATOM 593 C ALA A 38 85.488 -7.370 37.044 1.00 0.00 C ATOM 594 O ALA A 38 85.553 -7.508 38.251 1.00 0.00 O ATOM 595 CB ALA A 38 86.185 -9.357 35.706 1.00 0.00 C ATOM 0 H ALA A 38 84.764 -8.192 34.046 1.00 0.00 H new ATOM 0 HA ALA A 38 84.277 -9.115 36.691 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.672 -9.779 36.586 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.838 -10.164 35.061 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.896 -8.737 35.160 1.00 0.00 H new ATOM 601 N SER A 39 85.868 -6.264 36.471 1.00 0.00 N ATOM 602 CA SER A 39 86.386 -5.135 37.297 1.00 0.00 C ATOM 603 C SER A 39 85.232 -4.321 37.895 1.00 0.00 C ATOM 604 O SER A 39 85.393 -3.649 38.896 1.00 0.00 O ATOM 605 CB SER A 39 87.234 -4.230 36.407 1.00 0.00 C ATOM 606 OG SER A 39 88.313 -4.986 35.870 1.00 0.00 O ATOM 0 H SER A 39 85.843 -6.091 35.466 1.00 0.00 H new ATOM 0 HA SER A 39 86.983 -5.537 38.116 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.626 -3.818 35.602 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.615 -3.387 36.983 1.00 0.00 H new ATOM 0 HG SER A 39 88.861 -4.411 35.296 1.00 0.00 H new ATOM 612 N CYS A 40 84.074 -4.374 37.299 1.00 0.00 N ATOM 613 CA CYS A 40 82.926 -3.596 37.848 1.00 0.00 C ATOM 614 C CYS A 40 82.281 -4.395 38.981 1.00 0.00 C ATOM 615 O CYS A 40 81.585 -5.365 38.758 1.00 0.00 O ATOM 616 CB CYS A 40 81.911 -3.333 36.738 1.00 0.00 C ATOM 617 SG CYS A 40 80.481 -2.474 37.434 1.00 0.00 S ATOM 0 H CYS A 40 83.872 -4.918 36.460 1.00 0.00 H new ATOM 0 HA CYS A 40 83.274 -2.639 38.237 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.364 -2.732 35.950 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.600 -4.273 36.283 1.00 0.00 H new ATOM 0 HG CYS A 40 79.397 -2.892 36.850 1.00 0.00 H new ATOM 622 N ASP A 41 82.528 -4.002 40.199 1.00 0.00 N ATOM 623 CA ASP A 41 81.947 -4.737 41.358 1.00 0.00 C ATOM 624 C ASP A 41 80.417 -4.716 41.291 1.00 0.00 C ATOM 625 O ASP A 41 79.758 -5.620 41.758 1.00 0.00 O ATOM 626 CB ASP A 41 82.404 -4.089 42.669 1.00 0.00 C ATOM 627 CG ASP A 41 83.908 -4.305 42.859 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.443 -5.195 42.220 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.497 -3.577 43.642 1.00 0.00 O ATOM 0 H ASP A 41 83.109 -3.200 40.443 1.00 0.00 H new ATOM 0 HA ASP A 41 82.292 -5.770 41.320 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.180 -3.022 42.655 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.857 -4.519 43.508 1.00 0.00 H new ATOM 634 N LYS A 42 79.845 -3.680 40.730 1.00 0.00 N ATOM 635 CA LYS A 42 78.352 -3.602 40.665 1.00 0.00 C ATOM 636 C LYS A 42 77.780 -4.616 39.659 1.00 0.00 C ATOM 637 O LYS A 42 76.754 -5.227 39.903 1.00 0.00 O ATOM 638 CB LYS A 42 77.931 -2.181 40.253 1.00 0.00 C ATOM 639 CG LYS A 42 78.379 -1.177 41.317 1.00 0.00 C ATOM 640 CD LYS A 42 77.855 0.214 40.948 1.00 0.00 C ATOM 641 CE LYS A 42 78.417 1.266 41.912 1.00 0.00 C ATOM 642 NZ LYS A 42 77.829 1.077 43.269 1.00 0.00 N ATOM 0 H LYS A 42 80.342 -2.891 40.317 1.00 0.00 H new ATOM 0 HA LYS A 42 77.956 -3.841 41.652 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.374 -1.926 39.290 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.849 -2.134 40.129 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.002 -1.473 42.296 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.467 -1.163 41.386 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.141 0.458 39.925 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.766 0.222 40.985 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.503 1.183 41.962 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.190 2.267 41.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.121 1.862 43.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.792 1.059 43.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 78.164 0.178 43.670 1.00 0.00 H new ATOM 656 N CYS A 43 78.414 -4.791 38.534 1.00 0.00 N ATOM 657 CA CYS A 43 77.896 -5.758 37.515 1.00 0.00 C ATOM 658 C CYS A 43 78.427 -7.164 37.805 1.00 0.00 C ATOM 659 O CYS A 43 77.906 -8.146 37.319 1.00 0.00 O ATOM 660 CB CYS A 43 78.357 -5.324 36.127 1.00 0.00 C ATOM 661 SG CYS A 43 77.483 -3.811 35.638 1.00 0.00 S ATOM 0 H CYS A 43 79.272 -4.306 38.271 1.00 0.00 H new ATOM 0 HA CYS A 43 76.807 -5.771 37.559 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.433 -5.150 36.129 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.164 -6.117 35.405 1.00 0.00 H new ATOM 0 HG CYS A 43 77.717 -3.561 34.384 1.00 0.00 H new ATOM 666 N GLN A 44 79.466 -7.273 38.587 1.00 0.00 N ATOM 667 CA GLN A 44 80.023 -8.623 38.895 1.00 0.00 C ATOM 668 C GLN A 44 79.092 -9.326 39.880 1.00 0.00 C ATOM 669 O GLN A 44 78.370 -10.235 39.527 1.00 0.00 O ATOM 670 CB GLN A 44 81.408 -8.461 39.522 1.00 0.00 C ATOM 671 CG GLN A 44 82.083 -9.825 39.668 1.00 0.00 C ATOM 672 CD GLN A 44 83.433 -9.627 40.354 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.439 -9.166 39.663 1.00 0.00 O ATOM 674 NE2 GLN A 44 83.575 -9.891 41.530 1.00 0.00 N ATOM 0 H GLN A 44 79.952 -6.490 39.025 1.00 0.00 H new ATOM 0 HA GLN A 44 80.106 -9.214 37.983 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.022 -7.808 38.902 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.320 -7.984 40.498 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.456 -10.497 40.253 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.219 -10.287 38.690 1.00 0.00 H new ATOM 0 HE21 GLN A 44 82.789 -10.251 42.070 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.481 -9.752 41.978 1.00 0.00 H new ATOM 844 N PHE B 1 93.796 -14.089 21.402 1.00 0.00 N ATOM 845 CA PHE B 1 92.882 -13.944 22.570 1.00 0.00 C ATOM 846 C PHE B 1 92.370 -15.323 23.011 1.00 0.00 C ATOM 847 O PHE B 1 92.682 -15.798 24.082 1.00 0.00 O ATOM 848 CB PHE B 1 91.680 -13.067 22.179 1.00 0.00 C ATOM 849 CG PHE B 1 92.095 -11.613 22.065 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.582 -11.117 20.848 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.973 -10.754 23.169 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.949 -9.771 20.734 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.346 -9.405 23.054 1.00 0.00 C ATOM 854 CZ PHE B 1 92.832 -8.915 21.837 1.00 0.00 C ATOM 0 H1 PHE B 1 93.751 -13.230 20.818 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.770 -14.229 21.739 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.505 -14.910 20.833 1.00 0.00 H new ATOM 0 HA PHE B 1 93.430 -13.480 23.390 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.267 -13.409 21.230 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.891 -13.168 22.924 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.674 -11.775 19.996 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.592 -11.131 24.107 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.323 -9.392 19.794 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.258 -8.746 23.905 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.117 -7.877 21.748 1.00 0.00 H new ATOM 866 N LEU B 2 91.556 -15.942 22.201 1.00 0.00 N ATOM 867 CA LEU B 2 90.973 -17.269 22.566 1.00 0.00 C ATOM 868 C LEU B 2 92.005 -18.398 22.458 1.00 0.00 C ATOM 869 O LEU B 2 91.971 -19.349 23.212 1.00 0.00 O ATOM 870 CB LEU B 2 89.815 -17.571 21.608 1.00 0.00 C ATOM 871 CG LEU B 2 88.921 -16.333 21.447 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.657 -16.716 20.671 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.530 -15.798 22.827 1.00 0.00 C ATOM 0 H LEU B 2 91.265 -15.583 21.292 1.00 0.00 H new ATOM 0 HA LEU B 2 90.634 -17.219 23.601 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.207 -17.874 20.637 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.227 -18.406 21.989 1.00 0.00 H new ATOM 0 HG LEU B 2 89.465 -15.562 20.902 1.00 0.00 H new ATOM 0 HD11 LEU B 2 87.021 -15.838 20.556 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.935 -17.095 19.687 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.115 -17.488 21.217 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.896 -14.919 22.710 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.987 -16.568 23.375 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.429 -15.525 23.380 1.00 0.00 H new ATOM 885 N ASP B 3 92.886 -18.334 21.508 1.00 0.00 N ATOM 886 CA ASP B 3 93.870 -19.444 21.350 1.00 0.00 C ATOM 887 C ASP B 3 94.819 -19.510 22.545 1.00 0.00 C ATOM 888 O ASP B 3 95.107 -20.573 23.069 1.00 0.00 O ATOM 889 CB ASP B 3 94.673 -19.226 20.069 1.00 0.00 C ATOM 890 CG ASP B 3 93.717 -19.252 18.877 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.649 -19.823 19.017 1.00 0.00 O ATOM 892 OD2 ASP B 3 94.068 -18.697 17.848 1.00 0.00 O ATOM 0 H ASP B 3 92.972 -17.571 20.837 1.00 0.00 H new ATOM 0 HA ASP B 3 93.325 -20.387 21.295 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.198 -18.272 20.111 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.431 -20.002 19.962 1.00 0.00 H new ATOM 897 N GLY B 4 95.308 -18.393 22.985 1.00 0.00 N ATOM 898 CA GLY B 4 96.244 -18.406 24.142 1.00 0.00 C ATOM 899 C GLY B 4 95.471 -18.729 25.414 1.00 0.00 C ATOM 900 O GLY B 4 95.901 -19.518 26.233 1.00 0.00 O ATOM 0 H GLY B 4 95.104 -17.472 22.598 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.028 -19.146 23.982 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.735 -17.438 24.238 1.00 0.00 H new ATOM 904 N ILE B 5 94.343 -18.115 25.589 1.00 0.00 N ATOM 905 CA ILE B 5 93.544 -18.374 26.812 1.00 0.00 C ATOM 906 C ILE B 5 93.157 -19.850 26.902 1.00 0.00 C ATOM 907 O ILE B 5 93.175 -20.432 27.966 1.00 0.00 O ATOM 908 CB ILE B 5 92.291 -17.508 26.765 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.713 -16.045 26.911 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.352 -17.878 27.916 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.542 -15.109 26.590 1.00 0.00 C ATOM 0 H ILE B 5 93.937 -17.443 24.938 1.00 0.00 H new ATOM 0 HA ILE B 5 94.138 -18.128 27.692 1.00 0.00 H new ATOM 0 HB ILE B 5 91.770 -17.665 25.821 1.00 0.00 H new ATOM 0 HG12 ILE B 5 93.063 -15.862 27.927 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.548 -15.834 26.243 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.460 -17.253 27.873 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.065 -18.926 27.829 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.861 -17.719 28.867 1.00 0.00 H new ATOM 0 HD11 ILE B 5 91.863 -14.073 26.700 1.00 0.00 H new ATOM 0 HD12 ILE B 5 91.210 -15.279 25.566 1.00 0.00 H new ATOM 0 HD13 ILE B 5 90.719 -15.308 27.276 1.00 0.00 H new ATOM 923 N ASP B 6 92.801 -20.472 25.813 1.00 0.00 N ATOM 924 CA ASP B 6 92.412 -21.905 25.904 1.00 0.00 C ATOM 925 C ASP B 6 93.559 -22.695 26.533 1.00 0.00 C ATOM 926 O ASP B 6 93.368 -23.460 27.456 1.00 0.00 O ATOM 927 CB ASP B 6 92.104 -22.448 24.507 1.00 0.00 C ATOM 928 CG ASP B 6 90.814 -21.803 23.994 1.00 0.00 C ATOM 929 OD1 ASP B 6 90.143 -21.159 24.783 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.523 -21.957 22.819 1.00 0.00 O ATOM 0 H ASP B 6 92.763 -20.059 24.881 1.00 0.00 H new ATOM 0 HA ASP B 6 91.520 -22.006 26.523 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.929 -22.231 23.829 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.995 -23.532 24.540 1.00 0.00 H new ATOM 935 N LYS B 7 94.757 -22.503 26.055 1.00 0.00 N ATOM 936 CA LYS B 7 95.910 -23.232 26.654 1.00 0.00 C ATOM 937 C LYS B 7 96.146 -22.707 28.074 1.00 0.00 C ATOM 938 O LYS B 7 96.364 -23.464 29.002 1.00 0.00 O ATOM 939 CB LYS B 7 97.157 -22.995 25.786 1.00 0.00 C ATOM 940 CG LYS B 7 98.364 -23.759 26.354 1.00 0.00 C ATOM 941 CD LYS B 7 99.608 -23.506 25.477 1.00 0.00 C ATOM 942 CE LYS B 7 99.561 -24.347 24.191 1.00 0.00 C ATOM 943 NZ LYS B 7 100.892 -24.286 23.512 1.00 0.00 N ATOM 0 H LYS B 7 94.987 -21.878 25.282 1.00 0.00 H new ATOM 0 HA LYS B 7 95.703 -24.301 26.697 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.962 -23.320 24.764 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.381 -21.929 25.745 1.00 0.00 H new ATOM 0 HG2 LYS B 7 98.559 -23.439 27.377 1.00 0.00 H new ATOM 0 HG3 LYS B 7 98.145 -24.826 26.390 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.667 -22.448 25.221 1.00 0.00 H new ATOM 0 HD3 LYS B 7 100.509 -23.748 26.041 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.308 -25.380 24.428 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.783 -23.972 23.526 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 100.864 -24.854 22.641 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 101.115 -23.299 23.274 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 101.624 -24.663 24.148 1.00 0.00 H new ATOM 957 N ALA B 8 96.098 -21.413 28.250 1.00 0.00 N ATOM 958 CA ALA B 8 96.315 -20.831 29.605 1.00 0.00 C ATOM 959 C ALA B 8 95.193 -21.270 30.543 1.00 0.00 C ATOM 960 O ALA B 8 95.409 -21.514 31.715 1.00 0.00 O ATOM 961 CB ALA B 8 96.343 -19.300 29.517 1.00 0.00 C ATOM 0 H ALA B 8 95.917 -20.733 27.511 1.00 0.00 H new ATOM 0 HA ALA B 8 97.269 -21.185 29.995 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.502 -18.881 30.511 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.153 -18.988 28.858 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.394 -18.941 29.120 1.00 0.00 H new ATOM 967 N GLN B 9 93.995 -21.363 30.039 1.00 0.00 N ATOM 968 CA GLN B 9 92.861 -21.776 30.909 1.00 0.00 C ATOM 969 C GLN B 9 93.175 -23.131 31.542 1.00 0.00 C ATOM 970 O GLN B 9 92.904 -23.357 32.704 1.00 0.00 O ATOM 971 CB GLN B 9 91.580 -21.879 30.070 1.00 0.00 C ATOM 972 CG GLN B 9 90.371 -22.066 30.996 1.00 0.00 C ATOM 973 CD GLN B 9 89.089 -22.180 30.159 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.120 -21.996 28.959 1.00 0.00 O ATOM 975 NE2 GLN B 9 87.955 -22.486 30.738 1.00 0.00 N ATOM 0 H GLN B 9 93.753 -21.172 29.067 1.00 0.00 H new ATOM 0 HA GLN B 9 92.715 -21.035 31.695 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.454 -20.979 29.468 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.653 -22.718 29.377 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.501 -22.962 31.603 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.294 -21.224 31.684 1.00 0.00 H new ATOM 0 HE21 GLN B 9 87.923 -22.642 31.746 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.104 -22.569 30.181 1.00 0.00 H new ATOM 984 N GLU B 10 93.751 -24.034 30.798 1.00 0.00 N ATOM 985 CA GLU B 10 94.082 -25.362 31.386 1.00 0.00 C ATOM 986 C GLU B 10 95.051 -25.168 32.546 1.00 0.00 C ATOM 987 O GLU B 10 94.918 -25.778 33.590 1.00 0.00 O ATOM 988 CB GLU B 10 94.718 -26.258 30.320 1.00 0.00 C ATOM 989 CG GLU B 10 94.939 -27.653 30.901 1.00 0.00 C ATOM 990 CD GLU B 10 95.565 -28.553 29.839 1.00 0.00 C ATOM 991 OE1 GLU B 10 95.777 -28.080 28.736 1.00 0.00 O ATOM 992 OE2 GLU B 10 95.813 -29.707 30.142 1.00 0.00 O ATOM 0 H GLU B 10 94.005 -23.912 29.818 1.00 0.00 H new ATOM 0 HA GLU B 10 93.171 -25.838 31.748 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.073 -26.314 29.443 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.667 -25.834 29.991 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.589 -27.596 31.774 1.00 0.00 H new ATOM 0 HG3 GLU B 10 93.991 -28.073 31.236 1.00 0.00 H new ATOM 999 N GLU B 11 96.023 -24.322 32.368 1.00 0.00 N ATOM 1000 CA GLU B 11 97.010 -24.079 33.456 1.00 0.00 C ATOM 1001 C GLU B 11 96.267 -23.549 34.678 1.00 0.00 C ATOM 1002 O GLU B 11 96.558 -23.911 35.803 1.00 0.00 O ATOM 1003 CB GLU B 11 98.040 -23.041 32.981 1.00 0.00 C ATOM 1004 CG GLU B 11 99.254 -23.026 33.925 1.00 0.00 C ATOM 1005 CD GLU B 11 100.207 -24.170 33.560 1.00 0.00 C ATOM 1006 OE1 GLU B 11 99.775 -25.077 32.865 1.00 0.00 O ATOM 1007 OE2 GLU B 11 101.351 -24.118 33.984 1.00 0.00 O ATOM 0 H GLU B 11 96.178 -23.786 31.514 1.00 0.00 H new ATOM 0 HA GLU B 11 97.527 -25.004 33.713 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.362 -23.276 31.966 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.582 -22.052 32.950 1.00 0.00 H new ATOM 0 HG2 GLU B 11 99.773 -22.070 33.851 1.00 0.00 H new ATOM 0 HG3 GLU B 11 98.924 -23.130 34.959 1.00 0.00 H new ATOM 1014 N HIS B 12 95.301 -22.692 34.472 1.00 0.00 N ATOM 1015 CA HIS B 12 94.543 -22.147 35.632 1.00 0.00 C ATOM 1016 C HIS B 12 93.817 -23.280 36.356 1.00 0.00 C ATOM 1017 O HIS B 12 93.812 -23.353 37.568 1.00 0.00 O ATOM 1018 CB HIS B 12 93.513 -21.100 35.177 1.00 0.00 C ATOM 1019 CG HIS B 12 92.815 -20.588 36.411 1.00 0.00 C ATOM 1020 ND1 HIS B 12 93.037 -19.303 36.942 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.984 -21.221 37.301 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.359 -19.229 38.113 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.722 -20.365 38.347 1.00 0.00 N ATOM 0 H HIS B 12 95.007 -22.349 33.557 1.00 0.00 H new ATOM 0 HA HIS B 12 95.255 -21.669 36.305 1.00 0.00 H new ATOM 0 HB2 HIS B 12 94.004 -20.284 34.647 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.796 -21.543 34.486 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.599 -22.225 37.198 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.341 -18.366 38.762 1.00 0.00 H new ATOM 0 HE2 HIS B 12 91.140 -20.570 39.159 1.00 0.00 H new ATOM 1031 N GLU B 13 93.187 -24.154 35.626 1.00 0.00 N ATOM 1032 CA GLU B 13 92.452 -25.275 36.273 1.00 0.00 C ATOM 1033 C GLU B 13 93.420 -26.162 37.061 1.00 0.00 C ATOM 1034 O GLU B 13 93.137 -26.591 38.161 1.00 0.00 O ATOM 1035 CB GLU B 13 91.792 -26.113 35.184 1.00 0.00 C ATOM 1036 CG GLU B 13 90.830 -27.116 35.815 1.00 0.00 C ATOM 1037 CD GLU B 13 90.185 -27.950 34.709 1.00 0.00 C ATOM 1038 OE1 GLU B 13 90.532 -27.740 33.562 1.00 0.00 O ATOM 1039 OE2 GLU B 13 89.362 -28.788 35.030 1.00 0.00 O ATOM 0 H GLU B 13 93.149 -24.141 34.607 1.00 0.00 H new ATOM 0 HA GLU B 13 91.706 -24.870 36.956 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.254 -25.466 34.490 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.552 -26.638 34.606 1.00 0.00 H new ATOM 0 HG2 GLU B 13 91.364 -27.763 36.512 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.064 -26.594 36.388 1.00 0.00 H new ATOM 1046 N LYS B 14 94.542 -26.471 36.481 1.00 0.00 N ATOM 1047 CA LYS B 14 95.526 -27.369 37.155 1.00 0.00 C ATOM 1048 C LYS B 14 96.027 -26.815 38.495 1.00 0.00 C ATOM 1049 O LYS B 14 96.405 -27.577 39.365 1.00 0.00 O ATOM 1050 CB LYS B 14 96.729 -27.592 36.231 1.00 0.00 C ATOM 1051 CG LYS B 14 96.295 -28.453 35.042 1.00 0.00 C ATOM 1052 CD LYS B 14 97.436 -28.583 34.022 1.00 0.00 C ATOM 1053 CE LYS B 14 98.497 -29.566 34.517 1.00 0.00 C ATOM 1054 NZ LYS B 14 99.453 -29.845 33.403 1.00 0.00 N ATOM 0 H LYS B 14 94.826 -26.138 35.559 1.00 0.00 H new ATOM 0 HA LYS B 14 95.008 -28.305 37.362 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.116 -26.635 35.881 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.536 -28.082 36.776 1.00 0.00 H new ATOM 0 HG2 LYS B 14 95.998 -29.442 35.392 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.422 -28.009 34.564 1.00 0.00 H new ATOM 0 HD2 LYS B 14 97.038 -28.922 33.065 1.00 0.00 H new ATOM 0 HD3 LYS B 14 97.890 -27.607 33.851 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.027 -29.149 35.374 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.027 -30.491 34.852 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 100.180 -30.513 33.729 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 98.938 -30.258 32.599 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 99.907 -28.958 33.105 1.00 0.00 H new ATOM 1068 N TYR B 15 96.094 -25.513 38.662 1.00 0.00 N ATOM 1069 CA TYR B 15 96.651 -24.951 39.945 1.00 0.00 C ATOM 1070 C TYR B 15 95.853 -23.729 40.442 1.00 0.00 C ATOM 1071 O TYR B 15 96.112 -23.216 41.513 1.00 0.00 O ATOM 1072 CB TYR B 15 98.088 -24.500 39.663 1.00 0.00 C ATOM 1073 CG TYR B 15 98.818 -25.579 38.878 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.400 -26.661 39.549 1.00 0.00 C ATOM 1075 CD2 TYR B 15 98.909 -25.493 37.477 1.00 0.00 C ATOM 1076 CE1 TYR B 15 100.074 -27.659 38.824 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.584 -26.492 36.754 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.166 -27.574 37.429 1.00 0.00 C ATOM 1079 OH TYR B 15 100.831 -28.560 36.722 1.00 0.00 O ATOM 0 H TYR B 15 95.792 -24.820 37.977 1.00 0.00 H new ATOM 0 HA TYR B 15 96.596 -25.721 40.714 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.083 -23.567 39.099 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.608 -24.303 40.600 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.331 -26.729 40.625 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.460 -24.660 36.957 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.522 -28.493 39.344 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.654 -26.426 35.678 1.00 0.00 H new ATOM 0 HH TYR B 15 100.755 -29.413 37.199 1.00 0.00 H new ATOM 1089 N HIS B 16 94.941 -23.222 39.663 1.00 0.00 N ATOM 1090 CA HIS B 16 94.193 -21.997 40.090 1.00 0.00 C ATOM 1091 C HIS B 16 95.223 -20.920 40.407 1.00 0.00 C ATOM 1092 O HIS B 16 95.136 -20.230 41.403 1.00 0.00 O ATOM 1093 CB HIS B 16 93.338 -22.239 41.344 1.00 0.00 C ATOM 1094 CG HIS B 16 92.170 -23.135 41.045 1.00 0.00 C ATOM 1095 ND1 HIS B 16 90.982 -22.677 40.500 1.00 0.00 N ATOM 1096 CD2 HIS B 16 91.957 -24.481 41.256 1.00 0.00 C ATOM 1097 CE1 HIS B 16 90.115 -23.685 40.397 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.662 -24.821 40.845 1.00 0.00 N ATOM 0 H HIS B 16 94.678 -23.597 38.752 1.00 0.00 H new ATOM 0 HA HIS B 16 93.519 -21.704 39.285 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.953 -22.688 42.124 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.978 -21.286 41.731 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.678 -25.168 41.674 1.00 0.00 H new ATOM 0 HE1 HIS B 16 89.112 -23.597 40.007 1.00 0.00 H new ATOM 0 HE2 HIS B 16 90.227 -25.743 40.880 1.00 0.00 H new ATOM 1106 N SER B 17 96.217 -20.796 39.581 1.00 0.00 N ATOM 1107 CA SER B 17 97.275 -19.792 39.836 1.00 0.00 C ATOM 1108 C SER B 17 96.692 -18.378 39.767 1.00 0.00 C ATOM 1109 O SER B 17 95.656 -18.149 39.180 1.00 0.00 O ATOM 1110 CB SER B 17 98.350 -19.946 38.772 1.00 0.00 C ATOM 1111 OG SER B 17 97.816 -19.545 37.520 1.00 0.00 O ATOM 0 H SER B 17 96.342 -21.351 38.735 1.00 0.00 H new ATOM 0 HA SER B 17 97.696 -19.948 40.829 1.00 0.00 H new ATOM 0 HB2 SER B 17 99.219 -19.338 39.023 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.688 -20.981 38.724 1.00 0.00 H new ATOM 0 HG SER B 17 98.502 -19.639 36.827 1.00 0.00 H new ATOM 1117 N ASN B 18 97.365 -17.428 40.357 1.00 0.00 N ATOM 1118 CA ASN B 18 96.874 -16.018 40.326 1.00 0.00 C ATOM 1119 C ASN B 18 97.094 -15.428 38.925 1.00 0.00 C ATOM 1120 O ASN B 18 97.931 -15.888 38.173 1.00 0.00 O ATOM 1121 CB ASN B 18 97.650 -15.185 41.349 1.00 0.00 C ATOM 1122 CG ASN B 18 97.391 -15.721 42.763 1.00 0.00 C ATOM 1123 OD1 ASN B 18 96.408 -16.392 42.998 1.00 0.00 O ATOM 1124 ND2 ASN B 18 98.238 -15.448 43.724 1.00 0.00 N ATOM 0 H ASN B 18 98.240 -17.568 40.863 1.00 0.00 H new ATOM 0 HA ASN B 18 95.811 -16.001 40.568 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.716 -15.221 41.127 1.00 0.00 H new ATOM 0 HB3 ASN B 18 97.346 -14.140 41.285 1.00 0.00 H new ATOM 0 HD21 ASN B 18 98.070 -15.799 44.667 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.065 -14.884 43.530 1.00 0.00 H new ATOM 1131 N TRP B 19 96.348 -14.412 38.566 1.00 0.00 N ATOM 1132 CA TRP B 19 96.519 -13.800 37.216 1.00 0.00 C ATOM 1133 C TRP B 19 97.967 -13.354 37.009 1.00 0.00 C ATOM 1134 O TRP B 19 98.470 -13.351 35.900 1.00 0.00 O ATOM 1135 CB TRP B 19 95.561 -12.609 37.061 1.00 0.00 C ATOM 1136 CG TRP B 19 96.045 -11.417 37.831 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.569 -11.026 39.036 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.073 -10.449 37.463 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.230 -9.876 39.427 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.166 -9.481 38.493 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.923 -10.312 36.349 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.066 -8.417 38.419 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.832 -9.245 36.275 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.900 -8.297 37.306 1.00 0.00 C ATOM 0 H TRP B 19 95.630 -13.982 39.150 1.00 0.00 H new ATOM 0 HA TRP B 19 96.282 -14.546 36.457 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.467 -12.350 36.006 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.567 -12.891 37.410 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.798 -11.530 39.600 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.048 -9.380 40.300 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.875 -11.033 35.546 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.117 -7.691 39.217 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.483 -9.154 35.418 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.597 -7.475 37.239 1.00 0.00 H new ATOM 1155 N ARG B 20 98.652 -12.984 38.055 1.00 0.00 N ATOM 1156 CA ARG B 20 100.068 -12.551 37.884 1.00 0.00 C ATOM 1157 C ARG B 20 100.904 -13.722 37.374 1.00 0.00 C ATOM 1158 O ARG B 20 101.764 -13.563 36.534 1.00 0.00 O ATOM 1159 CB ARG B 20 100.631 -12.090 39.230 1.00 0.00 C ATOM 1160 CG ARG B 20 99.918 -10.818 39.685 1.00 0.00 C ATOM 1161 CD ARG B 20 100.591 -10.295 40.955 1.00 0.00 C ATOM 1162 NE ARG B 20 100.454 -11.318 42.033 1.00 0.00 N ATOM 1163 CZ ARG B 20 101.209 -11.259 43.098 1.00 0.00 C ATOM 1164 NH1 ARG B 20 102.073 -10.291 43.222 1.00 0.00 N ATOM 1165 NH2 ARG B 20 101.099 -12.165 44.035 1.00 0.00 N ATOM 0 H ARG B 20 98.298 -12.962 39.011 1.00 0.00 H new ATOM 0 HA ARG B 20 100.105 -11.730 37.168 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.503 -12.875 39.975 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.702 -11.905 39.142 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.958 -10.063 38.900 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.865 -11.025 39.875 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.644 -10.087 40.765 1.00 0.00 H new ATOM 0 HD3 ARG B 20 100.132 -9.357 41.266 1.00 0.00 H new ATOM 0 HE ARG B 20 99.768 -12.067 41.938 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.157 -9.585 42.490 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.665 -10.239 44.051 1.00 0.00 H new ATOM 0 HH21 ARG B 20 100.422 -12.921 43.936 1.00 0.00 H new ATOM 0 HH22 ARG B 20 101.690 -12.115 44.865 1.00 0.00 H new ATOM 1179 N ALA B 21 100.660 -14.898 37.883 1.00 0.00 N ATOM 1180 CA ALA B 21 101.450 -16.082 37.436 1.00 0.00 C ATOM 1181 C ALA B 21 101.126 -16.398 35.971 1.00 0.00 C ATOM 1182 O ALA B 21 102.008 -16.570 35.155 1.00 0.00 O ATOM 1183 CB ALA B 21 101.089 -17.285 38.313 1.00 0.00 C ATOM 0 H ALA B 21 99.949 -15.091 38.588 1.00 0.00 H new ATOM 0 HA ALA B 21 102.515 -15.866 37.527 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.663 -18.154 37.992 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.323 -17.060 39.354 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.024 -17.498 38.218 1.00 0.00 H new ATOM 1189 N MET B 22 99.865 -16.475 35.639 1.00 0.00 N ATOM 1190 CA MET B 22 99.476 -16.784 34.230 1.00 0.00 C ATOM 1191 C MET B 22 100.027 -15.711 33.298 1.00 0.00 C ATOM 1192 O MET B 22 100.476 -15.994 32.202 1.00 0.00 O ATOM 1193 CB MET B 22 97.954 -16.824 34.113 1.00 0.00 C ATOM 1194 CG MET B 22 97.422 -17.995 34.930 1.00 0.00 C ATOM 1195 SD MET B 22 95.665 -18.227 34.579 1.00 0.00 S ATOM 1196 CE MET B 22 95.051 -16.773 35.464 1.00 0.00 C ATOM 0 H MET B 22 99.086 -16.337 36.283 1.00 0.00 H new ATOM 0 HA MET B 22 99.887 -17.754 33.950 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.525 -15.889 34.472 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.660 -16.929 33.069 1.00 0.00 H new ATOM 0 HG2 MET B 22 97.975 -18.902 34.687 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.569 -17.807 35.993 1.00 0.00 H new ATOM 0 HE1 MET B 22 93.983 -16.885 35.651 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.578 -16.676 36.413 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.222 -15.881 34.861 1.00 0.00 H new ATOM 1206 N ALA B 23 99.988 -14.478 33.714 1.00 0.00 N ATOM 1207 CA ALA B 23 100.509 -13.386 32.849 1.00 0.00 C ATOM 1208 C ALA B 23 101.986 -13.634 32.543 1.00 0.00 C ATOM 1209 O ALA B 23 102.421 -13.534 31.412 1.00 0.00 O ATOM 1210 CB ALA B 23 100.355 -12.051 33.570 1.00 0.00 C ATOM 0 H ALA B 23 99.618 -14.179 34.616 1.00 0.00 H new ATOM 0 HA ALA B 23 99.946 -13.363 31.916 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.736 -11.250 32.937 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.301 -11.873 33.785 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.917 -12.075 34.504 1.00 0.00 H new ATOM 1216 N SER B 24 102.764 -13.955 33.537 1.00 0.00 N ATOM 1217 CA SER B 24 104.210 -14.213 33.286 1.00 0.00 C ATOM 1218 C SER B 24 104.377 -15.521 32.507 1.00 0.00 C ATOM 1219 O SER B 24 105.243 -15.648 31.665 1.00 0.00 O ATOM 1220 CB SER B 24 104.962 -14.322 34.611 1.00 0.00 C ATOM 1221 OG SER B 24 104.663 -13.193 35.418 1.00 0.00 O ATOM 0 H SER B 24 102.465 -14.050 34.507 1.00 0.00 H new ATOM 0 HA SER B 24 104.616 -13.385 32.705 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.678 -15.238 35.129 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.035 -14.379 34.429 1.00 0.00 H new ATOM 0 HG SER B 24 103.769 -13.296 35.807 1.00 0.00 H new ATOM 1227 N ASP B 25 103.565 -16.504 32.803 1.00 0.00 N ATOM 1228 CA ASP B 25 103.689 -17.822 32.107 1.00 0.00 C ATOM 1229 C ASP B 25 103.479 -17.656 30.603 1.00 0.00 C ATOM 1230 O ASP B 25 104.174 -18.255 29.806 1.00 0.00 O ATOM 1231 CB ASP B 25 102.633 -18.778 32.661 1.00 0.00 C ATOM 1232 CG ASP B 25 102.951 -19.085 34.126 1.00 0.00 C ATOM 1233 OD1 ASP B 25 104.055 -18.785 34.546 1.00 0.00 O ATOM 1234 OD2 ASP B 25 102.082 -19.608 34.803 1.00 0.00 O ATOM 0 H ASP B 25 102.820 -16.451 33.498 1.00 0.00 H new ATOM 0 HA ASP B 25 104.688 -18.222 32.279 1.00 0.00 H new ATOM 0 HB2 ASP B 25 101.642 -18.332 32.577 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.618 -19.699 32.079 1.00 0.00 H new ATOM 1239 N PHE B 26 102.531 -16.848 30.208 1.00 0.00 N ATOM 1240 CA PHE B 26 102.270 -16.630 28.748 1.00 0.00 C ATOM 1241 C PHE B 26 102.691 -15.215 28.351 1.00 0.00 C ATOM 1242 O PHE B 26 102.568 -14.825 27.211 1.00 0.00 O ATOM 1243 CB PHE B 26 100.781 -16.822 28.469 1.00 0.00 C ATOM 1244 CG PHE B 26 100.407 -18.261 28.733 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.586 -19.230 27.734 1.00 0.00 C ATOM 1246 CD2 PHE B 26 99.893 -18.632 29.979 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.250 -20.565 27.987 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.559 -19.968 30.232 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.737 -20.933 29.236 1.00 0.00 C ATOM 0 H PHE B 26 101.920 -16.325 30.836 1.00 0.00 H new ATOM 0 HA PHE B 26 102.847 -17.348 28.165 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.192 -16.159 29.102 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.556 -16.559 27.435 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.983 -18.946 26.771 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.753 -17.887 30.748 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.387 -21.311 27.218 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.164 -20.253 31.196 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.478 -21.963 29.431 1.00 0.00 H new ATOM 1259 N ASN B 27 103.186 -14.437 29.277 1.00 0.00 N ATOM 1260 CA ASN B 27 103.612 -13.046 28.932 1.00 0.00 C ATOM 1261 C ASN B 27 102.440 -12.293 28.307 1.00 0.00 C ATOM 1262 O ASN B 27 102.578 -11.665 27.277 1.00 0.00 O ATOM 1263 CB ASN B 27 104.770 -13.077 27.934 1.00 0.00 C ATOM 1264 CG ASN B 27 105.870 -13.997 28.453 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.210 -13.948 29.710 1.00 0.00 O flip ATOM 1266 ND2 ASN B 27 106.423 -14.776 27.704 1.00 0.00 N flip ATOM 0 H ASN B 27 103.314 -14.702 30.254 1.00 0.00 H new ATOM 0 HA ASN B 27 103.936 -12.544 29.844 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.417 -13.427 26.964 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.163 -12.071 27.787 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.156 -14.814 26.720 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.154 -15.393 28.059 1.00 0.00 H new ATOM 1273 N LEU B 28 101.294 -12.340 28.931 1.00 0.00 N ATOM 1274 CA LEU B 28 100.100 -11.621 28.395 1.00 0.00 C ATOM 1275 C LEU B 28 99.710 -10.543 29.404 1.00 0.00 C ATOM 1276 O LEU B 28 99.976 -10.683 30.583 1.00 0.00 O ATOM 1277 CB LEU B 28 98.947 -12.625 28.241 1.00 0.00 C ATOM 1278 CG LEU B 28 99.273 -13.636 27.130 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.255 -14.780 27.175 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.205 -12.955 25.751 1.00 0.00 C ATOM 0 H LEU B 28 101.132 -12.851 29.799 1.00 0.00 H new ATOM 0 HA LEU B 28 100.317 -11.169 27.427 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.782 -13.148 29.183 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.024 -12.097 28.003 1.00 0.00 H new ATOM 0 HG LEU B 28 100.280 -14.022 27.287 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.482 -15.500 26.389 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.306 -15.274 28.145 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.252 -14.381 27.023 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.438 -13.683 24.974 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.202 -12.560 25.589 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.927 -12.139 25.712 1.00 0.00 H new ATOM 1292 N PRO B 29 99.091 -9.472 28.970 1.00 0.00 N ATOM 1293 CA PRO B 29 98.681 -8.382 29.895 1.00 0.00 C ATOM 1294 C PRO B 29 97.724 -8.891 30.974 1.00 0.00 C ATOM 1295 O PRO B 29 97.141 -9.952 30.853 1.00 0.00 O ATOM 1296 CB PRO B 29 97.985 -7.353 28.983 1.00 0.00 C ATOM 1297 CG PRO B 29 97.628 -8.112 27.746 1.00 0.00 C ATOM 1298 CD PRO B 29 98.721 -9.157 27.578 1.00 0.00 C ATOM 0 HA PRO B 29 99.530 -7.961 30.433 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.098 -6.938 29.461 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.646 -6.516 28.756 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.649 -8.581 27.843 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.581 -7.451 26.880 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.360 -10.038 27.047 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.568 -8.769 27.013 1.00 0.00 H new ATOM 1306 N PRO B 30 97.568 -8.138 32.027 1.00 0.00 N ATOM 1307 CA PRO B 30 96.674 -8.519 33.153 1.00 0.00 C ATOM 1308 C PRO B 30 95.234 -8.741 32.687 1.00 0.00 C ATOM 1309 O PRO B 30 94.505 -9.542 33.242 1.00 0.00 O ATOM 1310 CB PRO B 30 96.763 -7.316 34.117 1.00 0.00 C ATOM 1311 CG PRO B 30 97.322 -6.189 33.303 1.00 0.00 C ATOM 1312 CD PRO B 30 98.220 -6.841 32.263 1.00 0.00 C ATOM 0 HA PRO B 30 96.973 -9.460 33.615 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.782 -7.061 34.518 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.406 -7.542 34.968 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.526 -5.615 32.829 1.00 0.00 H new ATOM 0 HG3 PRO B 30 97.885 -5.496 33.928 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.278 -6.247 31.351 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.239 -6.963 32.630 1.00 0.00 H new ATOM 1320 N VAL B 31 94.809 -8.028 31.693 1.00 0.00 N ATOM 1321 CA VAL B 31 93.412 -8.192 31.227 1.00 0.00 C ATOM 1322 C VAL B 31 93.162 -9.635 30.825 1.00 0.00 C ATOM 1323 O VAL B 31 92.174 -10.235 31.211 1.00 0.00 O ATOM 1324 CB VAL B 31 93.169 -7.292 30.007 1.00 0.00 C ATOM 1325 CG1 VAL B 31 91.705 -7.391 29.541 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.493 -5.843 30.374 1.00 0.00 C ATOM 0 H VAL B 31 95.364 -7.341 31.183 1.00 0.00 H new ATOM 0 HA VAL B 31 92.737 -7.916 32.038 1.00 0.00 H new ATOM 0 HB VAL B 31 93.815 -7.622 29.193 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.554 -6.746 28.676 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.479 -8.422 29.269 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.044 -7.076 30.348 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.321 -5.202 29.510 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.852 -5.524 31.196 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.537 -5.770 30.679 1.00 0.00 H new ATOM 1336 N VAL B 32 94.027 -10.196 30.035 1.00 0.00 N ATOM 1337 CA VAL B 32 93.793 -11.594 29.598 1.00 0.00 C ATOM 1338 C VAL B 32 93.888 -12.522 30.800 1.00 0.00 C ATOM 1339 O VAL B 32 93.044 -13.368 31.013 1.00 0.00 O ATOM 1340 CB VAL B 32 94.824 -12.000 28.543 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.558 -13.444 28.102 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.702 -11.072 27.331 1.00 0.00 C ATOM 0 H VAL B 32 94.874 -9.755 29.677 1.00 0.00 H new ATOM 0 HA VAL B 32 92.798 -11.669 29.158 1.00 0.00 H new ATOM 0 HB VAL B 32 95.826 -11.924 28.964 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.291 -13.736 27.350 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.637 -14.108 28.963 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.556 -13.517 27.679 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.436 -11.359 26.578 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.700 -11.152 26.911 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.884 -10.043 27.641 1.00 0.00 H new ATOM 1352 N ALA B 33 94.914 -12.376 31.589 1.00 0.00 N ATOM 1353 CA ALA B 33 95.062 -13.255 32.778 1.00 0.00 C ATOM 1354 C ALA B 33 93.919 -12.997 33.765 1.00 0.00 C ATOM 1355 O ALA B 33 93.306 -13.920 34.269 1.00 0.00 O ATOM 1356 CB ALA B 33 96.398 -12.964 33.471 1.00 0.00 C ATOM 0 H ALA B 33 95.655 -11.687 31.462 1.00 0.00 H new ATOM 0 HA ALA B 33 95.034 -14.295 32.454 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.504 -13.610 34.343 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.217 -13.154 32.777 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.424 -11.921 33.787 1.00 0.00 H new ATOM 1362 N LYS B 34 93.637 -11.753 34.054 1.00 0.00 N ATOM 1363 CA LYS B 34 92.544 -11.460 35.019 1.00 0.00 C ATOM 1364 C LYS B 34 91.217 -11.996 34.493 1.00 0.00 C ATOM 1365 O LYS B 34 90.386 -12.461 35.247 1.00 0.00 O ATOM 1366 CB LYS B 34 92.437 -9.949 35.269 1.00 0.00 C ATOM 1367 CG LYS B 34 93.649 -9.474 36.086 1.00 0.00 C ATOM 1368 CD LYS B 34 93.588 -7.952 36.280 1.00 0.00 C ATOM 1369 CE LYS B 34 92.406 -7.576 37.192 1.00 0.00 C ATOM 1370 NZ LYS B 34 91.170 -7.453 36.371 1.00 0.00 N ATOM 0 H LYS B 34 94.112 -10.938 33.667 1.00 0.00 H new ATOM 0 HA LYS B 34 92.777 -11.954 35.962 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.394 -9.415 34.320 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.514 -9.723 35.804 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.662 -9.972 37.055 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.572 -9.747 35.575 1.00 0.00 H new ATOM 0 HD2 LYS B 34 94.521 -7.597 36.718 1.00 0.00 H new ATOM 0 HD3 LYS B 34 93.481 -7.459 35.314 1.00 0.00 H new ATOM 0 HE2 LYS B 34 92.270 -8.335 37.962 1.00 0.00 H new ATOM 0 HE3 LYS B 34 92.611 -6.636 37.704 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 90.717 -6.536 36.561 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 91.416 -7.515 35.362 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 90.513 -8.221 36.615 1.00 0.00 H new ATOM 1384 N GLU B 35 90.996 -11.928 33.207 1.00 0.00 N ATOM 1385 CA GLU B 35 89.702 -12.418 32.663 1.00 0.00 C ATOM 1386 C GLU B 35 89.532 -13.898 32.991 1.00 0.00 C ATOM 1387 O GLU B 35 88.449 -14.345 33.311 1.00 0.00 O ATOM 1388 CB GLU B 35 89.651 -12.204 31.148 1.00 0.00 C ATOM 1389 CG GLU B 35 88.222 -12.447 30.635 1.00 0.00 C ATOM 1390 CD GLU B 35 87.936 -13.950 30.547 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.881 -14.713 30.439 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.772 -14.314 30.580 1.00 0.00 O ATOM 0 H GLU B 35 91.650 -11.558 32.518 1.00 0.00 H new ATOM 0 HA GLU B 35 88.888 -11.856 33.121 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.967 -11.190 30.904 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.345 -12.882 30.652 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.503 -11.972 31.302 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.098 -11.988 29.654 1.00 0.00 H new ATOM 1399 N ILE B 36 90.583 -14.668 32.925 1.00 0.00 N ATOM 1400 CA ILE B 36 90.446 -16.111 33.258 1.00 0.00 C ATOM 1401 C ILE B 36 89.951 -16.239 34.696 1.00 0.00 C ATOM 1402 O ILE B 36 89.127 -17.074 35.013 1.00 0.00 O ATOM 1403 CB ILE B 36 91.799 -16.792 33.099 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.221 -16.676 31.635 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.693 -18.269 33.505 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.606 -17.291 31.444 1.00 0.00 C ATOM 0 H ILE B 36 91.519 -14.364 32.658 1.00 0.00 H new ATOM 0 HA ILE B 36 89.731 -16.590 32.589 1.00 0.00 H new ATOM 0 HB ILE B 36 92.540 -16.315 33.740 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.497 -17.183 30.997 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.233 -15.629 31.333 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.665 -18.749 33.388 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.376 -18.338 34.546 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.963 -18.770 32.869 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.901 -17.205 30.398 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.327 -16.764 32.069 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.579 -18.343 31.728 1.00 0.00 H new ATOM 1418 N VAL B 37 90.460 -15.418 35.569 1.00 0.00 N ATOM 1419 CA VAL B 37 90.024 -15.478 36.988 1.00 0.00 C ATOM 1420 C VAL B 37 88.532 -15.161 37.069 1.00 0.00 C ATOM 1421 O VAL B 37 87.799 -15.763 37.829 1.00 0.00 O ATOM 1422 CB VAL B 37 90.818 -14.453 37.801 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.319 -14.454 39.246 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.305 -14.820 37.766 1.00 0.00 C ATOM 0 H VAL B 37 91.161 -14.707 35.360 1.00 0.00 H new ATOM 0 HA VAL B 37 90.203 -16.475 37.391 1.00 0.00 H new ATOM 0 HB VAL B 37 90.681 -13.460 37.374 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.884 -13.724 39.826 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.261 -14.193 39.266 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.456 -15.445 39.678 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.873 -14.092 38.344 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.445 -15.812 38.195 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.656 -14.818 36.734 1.00 0.00 H new ATOM 1434 N ALA B 38 88.078 -14.224 36.289 1.00 0.00 N ATOM 1435 CA ALA B 38 86.634 -13.866 36.311 1.00 0.00 C ATOM 1436 C ALA B 38 85.793 -15.091 35.945 1.00 0.00 C ATOM 1437 O ALA B 38 84.679 -15.247 36.405 1.00 0.00 O ATOM 1438 CB ALA B 38 86.373 -12.750 35.299 1.00 0.00 C ATOM 0 H ALA B 38 88.647 -13.688 35.634 1.00 0.00 H new ATOM 0 HA ALA B 38 86.361 -13.526 37.310 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.316 -12.486 35.313 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.969 -11.875 35.560 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.648 -13.092 34.301 1.00 0.00 H new ATOM 1444 N SER B 39 86.307 -15.950 35.107 1.00 0.00 N ATOM 1445 CA SER B 39 85.523 -17.157 34.705 1.00 0.00 C ATOM 1446 C SER B 39 85.626 -18.244 35.776 1.00 0.00 C ATOM 1447 O SER B 39 84.782 -19.111 35.870 1.00 0.00 O ATOM 1448 CB SER B 39 86.068 -17.709 33.385 1.00 0.00 C ATOM 1449 OG SER B 39 85.944 -16.721 32.369 1.00 0.00 O ATOM 0 H SER B 39 87.232 -15.871 34.684 1.00 0.00 H new ATOM 0 HA SER B 39 84.479 -16.867 34.587 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.113 -17.996 33.502 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.521 -18.608 33.101 1.00 0.00 H new ATOM 0 HG SER B 39 86.295 -17.074 31.525 1.00 0.00 H new ATOM 1455 N CYS B 40 86.649 -18.215 36.588 1.00 0.00 N ATOM 1456 CA CYS B 40 86.780 -19.265 37.639 1.00 0.00 C ATOM 1457 C CYS B 40 85.929 -18.883 38.852 1.00 0.00 C ATOM 1458 O CYS B 40 86.282 -18.016 39.627 1.00 0.00 O ATOM 1459 CB CYS B 40 88.246 -19.393 38.057 1.00 0.00 C ATOM 1460 SG CYS B 40 88.380 -20.591 39.405 1.00 0.00 S ATOM 0 H CYS B 40 87.393 -17.517 36.570 1.00 0.00 H new ATOM 0 HA CYS B 40 86.435 -20.220 37.243 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.851 -19.713 37.209 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.631 -18.425 38.376 1.00 0.00 H new ATOM 0 HG CYS B 40 89.298 -20.204 40.240 1.00 0.00 H new ATOM 1465 N ASP B 41 84.796 -19.512 39.014 1.00 0.00 N ATOM 1466 CA ASP B 41 83.924 -19.171 40.170 1.00 0.00 C ATOM 1467 C ASP B 41 84.662 -19.420 41.487 1.00 0.00 C ATOM 1468 O ASP B 41 84.395 -18.776 42.479 1.00 0.00 O ATOM 1469 CB ASP B 41 82.663 -20.037 40.149 1.00 0.00 C ATOM 1470 CG ASP B 41 81.785 -19.662 38.956 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.933 -18.560 38.452 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.968 -20.483 38.573 1.00 0.00 O ATOM 0 H ASP B 41 84.440 -20.243 38.398 1.00 0.00 H new ATOM 0 HA ASP B 41 83.655 -18.117 40.093 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.937 -21.090 40.091 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.106 -19.903 41.076 1.00 0.00 H new ATOM 1477 N LYS B 42 85.561 -20.367 41.518 1.00 0.00 N ATOM 1478 CA LYS B 42 86.267 -20.661 42.803 1.00 0.00 C ATOM 1479 C LYS B 42 87.246 -19.536 43.160 1.00 0.00 C ATOM 1480 O LYS B 42 87.359 -19.151 44.307 1.00 0.00 O ATOM 1481 CB LYS B 42 87.036 -21.984 42.693 1.00 0.00 C ATOM 1482 CG LYS B 42 86.056 -23.147 42.520 1.00 0.00 C ATOM 1483 CD LYS B 42 86.833 -24.465 42.532 1.00 0.00 C ATOM 1484 CE LYS B 42 85.896 -25.621 42.168 1.00 0.00 C ATOM 1485 NZ LYS B 42 84.916 -25.840 43.270 1.00 0.00 N ATOM 0 H LYS B 42 85.836 -20.943 40.723 1.00 0.00 H new ATOM 0 HA LYS B 42 85.516 -20.737 43.589 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.721 -21.946 41.846 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.641 -22.138 43.586 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.318 -23.139 43.322 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.510 -23.042 41.583 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.660 -24.417 41.823 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.268 -24.633 43.517 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.370 -25.397 41.240 1.00 0.00 H new ATOM 0 HE3 LYS B 42 86.473 -26.529 41.996 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.383 -26.715 43.092 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.423 -25.921 44.174 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.257 -25.037 43.313 1.00 0.00 H new ATOM 1499 N CYS B 43 87.955 -19.000 42.203 1.00 0.00 N ATOM 1500 CA CYS B 43 88.923 -17.901 42.515 1.00 0.00 C ATOM 1501 C CYS B 43 88.201 -16.557 42.508 1.00 0.00 C ATOM 1502 O CYS B 43 88.680 -15.582 43.050 1.00 0.00 O ATOM 1503 CB CYS B 43 90.034 -17.874 41.462 1.00 0.00 C ATOM 1504 SG CYS B 43 91.089 -19.338 41.652 1.00 0.00 S ATOM 0 H CYS B 43 87.908 -19.272 41.221 1.00 0.00 H new ATOM 0 HA CYS B 43 89.354 -18.081 43.500 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.601 -17.853 40.462 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.630 -16.968 41.570 1.00 0.00 H new ATOM 0 HG CYS B 43 92.145 -19.212 40.904 1.00 0.00 H new ATOM 1509 N GLN B 44 87.064 -16.489 41.886 1.00 0.00 N ATOM 1510 CA GLN B 44 86.331 -15.195 41.835 1.00 0.00 C ATOM 1511 C GLN B 44 85.763 -14.879 43.217 1.00 0.00 C ATOM 1512 O GLN B 44 86.243 -14.003 43.908 1.00 0.00 O ATOM 1513 CB GLN B 44 85.194 -15.301 40.822 1.00 0.00 C ATOM 1514 CG GLN B 44 84.577 -13.920 40.609 1.00 0.00 C ATOM 1515 CD GLN B 44 83.423 -14.045 39.622 1.00 0.00 C ATOM 1516 OE1 GLN B 44 83.683 -14.116 38.349 1.00 0.00 O flip ATOM 1517 NE2 GLN B 44 82.272 -14.076 40.013 1.00 0.00 N flip ATOM 0 H GLN B 44 86.609 -17.269 41.411 1.00 0.00 H new ATOM 0 HA GLN B 44 87.011 -14.398 41.535 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.569 -15.694 39.877 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.437 -15.999 41.180 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.221 -13.515 41.556 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.326 -13.226 40.228 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.071 -14.020 41.011 1.00 0.00 H new ATOM 0 HE22 GLN B 44 81.508 -14.158 39.343 1.00 0.00 H new