USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 GLN :FLIP amide:sc= -2.8 F(o=-11!,f=-8.6) USER MOD Set 1.2: B 44 GLN :FLIP amide:sc= -5.78! C(o=-11!,f=-8.6!) USER MOD Single : A 1 PHE N :NH3+ 149:sc= 0.929 (180deg=0.38) USER MOD Single : A 7 LYS NZ :NH3+ 161:sc= -0.0752 (180deg=-0.755) USER MOD Single : A 9 GLN : amide:sc= -0.0269 K(o=-0.027,f=-1.8!) USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= 0.909 (180deg=0.528) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -3.92! C(o=-3.9!,f=-4.6!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0436 K(o=-0.044,f=-1.8!) USER MOD Single : A 22 MET CE :methyl 159:sc= -0.225 (180deg=-1.22) USER MOD Single : A 24 SER OG : rot 78:sc= 0.011 USER MOD Single : A 27 ASN :FLIP amide:sc=-0.00463 F(o=-0.8,f=-0.0046) USER MOD Single : A 34 LYS NZ :NH3+ 154:sc= -0.127 (180deg=-0.807) USER MOD Single : A 39 SER OG : rot 149:sc= -0.364 USER MOD Single : A 42 LYS NZ :NH3+ -143:sc= 0.0798 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 157:sc= -0.0795 (180deg=-0.75) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.0103 X(o=-0.01,f=-0.09) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : B 1 PHE N :NH3+ 158:sc= 0.951 (180deg=0.38) USER MOD Single : B 7 LYS NZ :NH3+ 160:sc= -0.0974 (180deg=-0.773) USER MOD Single : B 9 GLN : amide:sc= -0.0157 K(o=-0.016,f=-1.9!) USER MOD Single : B 14 LYS NZ :NH3+ 162:sc= 0.896 (180deg=0.597) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 HIS : no HD1:sc= -3.99! C(o=-4!,f=-4.5!) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.0507 K(o=-0.051,f=-1.9!) USER MOD Single : B 22 MET CE :methyl 158:sc= -0.187 (180deg=-1.36) USER MOD Single : B 24 SER OG : rot 79:sc= 0.00693 USER MOD Single : B 27 ASN :FLIP amide:sc= -0.0136 F(o=-0.84,f=-0.014) USER MOD Single : B 34 LYS NZ :NH3+ 131:sc= -0.0743 (180deg=-0.738) USER MOD Single : B 39 SER OG : rot 158:sc= -0.342 USER MOD Single : B 42 LYS NZ :NH3+ -142:sc= 0.084 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ 158:sc= -0.133 (180deg=-0.733) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= -0.0102 X(o=-0.01,f=-0.081) USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.346 -4.526 23.911 1.00 0.00 N ATOM 2 CA PHE A 1 95.042 -3.792 25.171 1.00 0.00 C ATOM 3 C PHE A 1 95.105 -2.291 24.900 1.00 0.00 C ATOM 4 O PHE A 1 96.166 -1.719 24.751 1.00 0.00 O ATOM 5 CB PHE A 1 96.060 -4.176 26.248 1.00 0.00 C ATOM 6 CG PHE A 1 96.324 -5.666 26.181 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.315 -6.570 26.536 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.573 -6.143 25.755 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.556 -7.949 26.469 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.810 -7.522 25.688 1.00 0.00 C ATOM 11 CZ PHE A 1 96.802 -8.424 26.045 1.00 0.00 C ATOM 0 H1 PHE A 1 95.812 -5.428 24.138 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.462 -4.713 23.396 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.977 -3.950 23.317 1.00 0.00 H new ATOM 0 HA PHE A 1 94.044 -4.055 25.522 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.988 -3.624 26.100 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.682 -3.906 27.234 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.352 -6.205 26.861 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.351 -5.447 25.479 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.779 -8.646 26.745 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.771 -7.889 25.361 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.986 -9.487 25.993 1.00 0.00 H new ATOM 23 N LEU A 2 93.968 -1.654 24.817 1.00 0.00 N ATOM 24 CA LEU A 2 93.933 -0.187 24.531 1.00 0.00 C ATOM 25 C LEU A 2 93.723 0.614 25.809 1.00 0.00 C ATOM 26 O LEU A 2 92.949 0.255 26.665 1.00 0.00 O ATOM 27 CB LEU A 2 92.792 0.115 23.555 1.00 0.00 C ATOM 28 CG LEU A 2 92.983 -0.677 22.253 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.818 -0.373 21.307 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.311 -0.284 21.579 1.00 0.00 C ATOM 0 H LEU A 2 93.053 -2.089 24.936 1.00 0.00 H new ATOM 0 HA LEU A 2 94.889 0.100 24.093 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.836 -0.145 24.010 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.762 1.183 23.338 1.00 0.00 H new ATOM 0 HG LEU A 2 93.008 -1.743 22.481 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.947 -0.932 20.380 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.880 -0.665 21.779 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.797 0.694 21.087 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.434 -0.853 20.657 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.301 0.781 21.349 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.140 -0.502 22.253 1.00 0.00 H new ATOM 42 N ASP A 3 94.396 1.719 25.923 1.00 0.00 N ATOM 43 CA ASP A 3 94.228 2.576 27.125 1.00 0.00 C ATOM 44 C ASP A 3 92.765 3.005 27.203 1.00 0.00 C ATOM 45 O ASP A 3 92.181 3.070 28.266 1.00 0.00 O ATOM 46 CB ASP A 3 95.130 3.805 27.016 1.00 0.00 C ATOM 47 CG ASP A 3 96.591 3.375 27.167 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.823 2.335 27.762 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.452 4.093 26.687 1.00 0.00 O ATOM 0 H ASP A 3 95.060 2.069 25.232 1.00 0.00 H new ATOM 0 HA ASP A 3 94.505 2.025 28.024 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.981 4.296 26.054 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.871 4.530 27.787 1.00 0.00 H new ATOM 54 N GLY A 4 92.159 3.282 26.077 1.00 0.00 N ATOM 55 CA GLY A 4 90.722 3.687 26.077 1.00 0.00 C ATOM 56 C GLY A 4 89.926 2.702 26.937 1.00 0.00 C ATOM 57 O GLY A 4 88.794 2.946 27.300 1.00 0.00 O ATOM 0 H GLY A 4 92.598 3.245 25.157 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.616 4.699 26.468 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.334 3.697 25.059 1.00 0.00 H new ATOM 61 N ILE A 5 90.525 1.595 27.279 1.00 0.00 N ATOM 62 CA ILE A 5 89.831 0.596 28.134 1.00 0.00 C ATOM 63 C ILE A 5 89.481 1.246 29.477 1.00 0.00 C ATOM 64 O ILE A 5 88.416 1.034 30.020 1.00 0.00 O ATOM 65 CB ILE A 5 90.743 -0.624 28.330 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.771 -1.443 27.036 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.221 -1.499 29.476 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.904 -2.471 27.106 1.00 0.00 C ATOM 0 H ILE A 5 91.472 1.339 27.000 1.00 0.00 H new ATOM 0 HA ILE A 5 88.909 0.262 27.659 1.00 0.00 H new ATOM 0 HB ILE A 5 91.748 -0.283 28.577 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.816 -1.948 26.892 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.916 -0.785 26.179 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.877 -2.360 29.604 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.201 -0.918 30.398 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.213 -1.842 29.242 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.924 -3.054 26.185 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.856 -1.955 27.230 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.739 -3.137 27.953 1.00 0.00 H new ATOM 80 N ASP A 6 90.361 2.047 30.010 1.00 0.00 N ATOM 81 CA ASP A 6 90.063 2.716 31.309 1.00 0.00 C ATOM 82 C ASP A 6 88.809 3.579 31.135 1.00 0.00 C ATOM 83 O ASP A 6 87.963 3.651 32.004 1.00 0.00 O ATOM 84 CB ASP A 6 91.243 3.603 31.724 1.00 0.00 C ATOM 85 CG ASP A 6 92.432 2.725 32.121 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.212 1.563 32.420 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.544 3.228 32.118 1.00 0.00 O ATOM 0 H ASP A 6 91.271 2.267 29.605 1.00 0.00 H new ATOM 0 HA ASP A 6 89.900 1.965 32.082 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.523 4.261 30.901 1.00 0.00 H new ATOM 0 HB3 ASP A 6 90.955 4.241 32.559 1.00 0.00 H new ATOM 92 N LYS A 7 88.687 4.227 30.008 1.00 0.00 N ATOM 93 CA LYS A 7 87.492 5.084 29.750 1.00 0.00 C ATOM 94 C LYS A 7 86.232 4.217 29.775 1.00 0.00 C ATOM 95 O LYS A 7 85.196 4.623 30.266 1.00 0.00 O ATOM 96 CB LYS A 7 87.627 5.748 28.371 1.00 0.00 C ATOM 97 CG LYS A 7 86.406 6.634 28.092 1.00 0.00 C ATOM 98 CD LYS A 7 86.554 7.288 26.717 1.00 0.00 C ATOM 99 CE LYS A 7 85.302 8.110 26.405 1.00 0.00 C ATOM 100 NZ LYS A 7 85.028 9.050 27.529 1.00 0.00 N ATOM 0 H LYS A 7 89.368 4.200 29.249 1.00 0.00 H new ATOM 0 HA LYS A 7 87.422 5.853 30.519 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.537 6.347 28.334 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.717 4.985 27.598 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.495 6.037 28.126 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.315 7.399 28.863 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.436 7.928 26.700 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.700 6.524 25.953 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.442 8.666 25.478 1.00 0.00 H new ATOM 0 HE3 LYS A 7 84.449 7.449 26.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 84.400 9.811 27.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 84.569 8.536 28.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 85.923 9.460 27.865 1.00 0.00 H new ATOM 114 N ALA A 8 86.304 3.032 29.236 1.00 0.00 N ATOM 115 CA ALA A 8 85.107 2.146 29.215 1.00 0.00 C ATOM 116 C ALA A 8 84.611 1.921 30.643 1.00 0.00 C ATOM 117 O ALA A 8 83.423 1.868 30.895 1.00 0.00 O ATOM 118 CB ALA A 8 85.480 0.797 28.595 1.00 0.00 C ATOM 0 H ALA A 8 87.142 2.638 28.808 1.00 0.00 H new ATOM 0 HA ALA A 8 84.321 2.617 28.624 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.604 0.149 28.580 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.835 0.951 27.576 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.267 0.330 29.187 1.00 0.00 H new ATOM 124 N GLN A 9 85.505 1.781 31.580 1.00 0.00 N ATOM 125 CA GLN A 9 85.075 1.552 32.985 1.00 0.00 C ATOM 126 C GLN A 9 84.225 2.737 33.448 1.00 0.00 C ATOM 127 O GLN A 9 83.210 2.577 34.096 1.00 0.00 O ATOM 128 CB GLN A 9 86.310 1.455 33.878 1.00 0.00 C ATOM 129 CG GLN A 9 87.060 0.157 33.580 1.00 0.00 C ATOM 130 CD GLN A 9 88.404 0.170 34.309 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.895 1.218 34.681 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.025 -0.955 34.531 1.00 0.00 N ATOM 0 H GLN A 9 86.514 1.815 31.433 1.00 0.00 H new ATOM 0 HA GLN A 9 84.497 0.630 33.046 1.00 0.00 H new ATOM 0 HB2 GLN A 9 86.963 2.311 33.707 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.015 1.484 34.927 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.468 -0.700 33.901 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.217 0.053 32.506 1.00 0.00 H new ATOM 0 HE21 GLN A 9 88.614 -1.835 34.219 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.922 -0.955 35.016 1.00 0.00 H new ATOM 141 N GLU A 10 84.642 3.927 33.117 1.00 0.00 N ATOM 142 CA GLU A 10 83.878 5.138 33.528 1.00 0.00 C ATOM 143 C GLU A 10 82.483 5.117 32.900 1.00 0.00 C ATOM 144 O GLU A 10 81.508 5.499 33.517 1.00 0.00 O ATOM 145 CB GLU A 10 84.625 6.389 33.064 1.00 0.00 C ATOM 146 CG GLU A 10 85.908 6.551 33.883 1.00 0.00 C ATOM 147 CD GLU A 10 85.555 6.931 35.323 1.00 0.00 C ATOM 148 OE1 GLU A 10 84.444 7.384 35.542 1.00 0.00 O ATOM 149 OE2 GLU A 10 86.404 6.760 36.183 1.00 0.00 O ATOM 0 H GLU A 10 85.486 4.114 32.575 1.00 0.00 H new ATOM 0 HA GLU A 10 83.780 5.147 34.614 1.00 0.00 H new ATOM 0 HB2 GLU A 10 84.865 6.310 32.004 1.00 0.00 H new ATOM 0 HB3 GLU A 10 83.992 7.268 33.182 1.00 0.00 H new ATOM 0 HG2 GLU A 10 86.478 5.622 33.871 1.00 0.00 H new ATOM 0 HG3 GLU A 10 86.540 7.319 33.438 1.00 0.00 H new ATOM 156 N GLU A 11 82.385 4.701 31.665 1.00 0.00 N ATOM 157 CA GLU A 11 81.059 4.681 30.975 1.00 0.00 C ATOM 158 C GLU A 11 80.415 3.296 31.104 1.00 0.00 C ATOM 159 O GLU A 11 79.386 3.027 30.518 1.00 0.00 O ATOM 160 CB GLU A 11 81.259 5.011 29.491 1.00 0.00 C ATOM 161 CG GLU A 11 82.006 6.341 29.354 1.00 0.00 C ATOM 162 CD GLU A 11 81.207 7.458 30.029 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.083 7.687 29.617 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.734 8.062 30.948 1.00 0.00 O ATOM 0 H GLU A 11 83.169 4.373 31.101 1.00 0.00 H new ATOM 0 HA GLU A 11 80.405 5.420 31.437 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.822 4.215 29.004 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.294 5.072 28.989 1.00 0.00 H new ATOM 0 HG2 GLU A 11 82.993 6.262 29.809 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.158 6.576 28.301 1.00 0.00 H new ATOM 171 N CYS A 12 81.003 2.419 31.870 1.00 0.00 N ATOM 172 CA CYS A 12 80.410 1.060 32.034 1.00 0.00 C ATOM 173 C CYS A 12 78.935 1.192 32.410 1.00 0.00 C ATOM 174 O CYS A 12 78.110 0.383 32.035 1.00 0.00 O ATOM 175 CB CYS A 12 81.144 0.306 33.144 1.00 0.00 C ATOM 176 SG CYS A 12 80.519 -1.391 33.235 1.00 0.00 S ATOM 0 H CYS A 12 81.866 2.583 32.388 1.00 0.00 H new ATOM 0 HA CYS A 12 80.506 0.512 31.097 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.216 0.300 32.947 1.00 0.00 H new ATOM 0 HB3 CYS A 12 80.998 0.811 34.099 1.00 0.00 H new ATOM 181 N GLU A 13 78.601 2.204 33.161 1.00 0.00 N ATOM 182 CA GLU A 13 77.185 2.391 33.585 1.00 0.00 C ATOM 183 C GLU A 13 76.290 2.549 32.352 1.00 0.00 C ATOM 184 O GLU A 13 75.176 2.068 32.323 1.00 0.00 O ATOM 185 CB GLU A 13 77.078 3.641 34.464 1.00 0.00 C ATOM 186 CG GLU A 13 77.843 3.417 35.772 1.00 0.00 C ATOM 187 CD GLU A 13 77.152 2.327 36.596 1.00 0.00 C ATOM 188 OE1 GLU A 13 75.964 2.134 36.406 1.00 0.00 O ATOM 189 OE2 GLU A 13 77.825 1.704 37.400 1.00 0.00 O ATOM 0 H GLU A 13 79.251 2.913 33.501 1.00 0.00 H new ATOM 0 HA GLU A 13 76.859 1.519 34.152 1.00 0.00 H new ATOM 0 HB2 GLU A 13 77.484 4.504 33.937 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.032 3.860 34.676 1.00 0.00 H new ATOM 0 HG2 GLU A 13 78.871 3.127 35.557 1.00 0.00 H new ATOM 0 HG3 GLU A 13 77.886 4.345 36.342 1.00 0.00 H new ATOM 196 N LYS A 14 76.759 3.224 31.339 1.00 0.00 N ATOM 197 CA LYS A 14 75.921 3.411 30.119 1.00 0.00 C ATOM 198 C LYS A 14 75.691 2.060 29.430 1.00 0.00 C ATOM 199 O LYS A 14 74.641 1.812 28.872 1.00 0.00 O ATOM 200 CB LYS A 14 76.629 4.356 29.146 1.00 0.00 C ATOM 201 CG LYS A 14 76.647 5.772 29.725 1.00 0.00 C ATOM 202 CD LYS A 14 77.355 6.710 28.746 1.00 0.00 C ATOM 203 CE LYS A 14 77.377 8.128 29.318 1.00 0.00 C ATOM 204 NZ LYS A 14 78.134 9.025 28.398 1.00 0.00 N ATOM 0 H LYS A 14 77.683 3.653 31.302 1.00 0.00 H new ATOM 0 HA LYS A 14 74.962 3.837 30.412 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.648 4.013 28.967 1.00 0.00 H new ATOM 0 HB3 LYS A 14 76.118 4.353 28.183 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.629 6.117 29.905 1.00 0.00 H new ATOM 0 HG3 LYS A 14 77.160 5.777 30.687 1.00 0.00 H new ATOM 0 HD2 LYS A 14 78.373 6.364 28.567 1.00 0.00 H new ATOM 0 HD3 LYS A 14 76.842 6.703 27.784 1.00 0.00 H new ATOM 0 HE2 LYS A 14 76.359 8.496 29.445 1.00 0.00 H new ATOM 0 HE3 LYS A 14 77.841 8.126 30.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 77.913 10.017 28.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 79.154 8.862 28.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 77.863 8.822 27.415 1.00 0.00 H new ATOM 218 N TYR A 15 76.667 1.189 29.450 1.00 0.00 N ATOM 219 CA TYR A 15 76.502 -0.137 28.779 1.00 0.00 C ATOM 220 C TYR A 15 75.852 -1.132 29.743 1.00 0.00 C ATOM 221 O TYR A 15 75.290 -2.129 29.334 1.00 0.00 O ATOM 222 CB TYR A 15 77.875 -0.661 28.355 1.00 0.00 C ATOM 223 CG TYR A 15 78.494 0.308 27.380 1.00 0.00 C ATOM 224 CD1 TYR A 15 78.173 0.231 26.021 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.384 1.290 27.834 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.740 1.132 25.115 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.950 2.194 26.928 1.00 0.00 C ATOM 228 CZ TYR A 15 79.630 2.115 25.568 1.00 0.00 C ATOM 229 OH TYR A 15 80.187 3.007 24.675 1.00 0.00 O ATOM 0 H TYR A 15 77.570 1.337 29.901 1.00 0.00 H new ATOM 0 HA TYR A 15 75.864 -0.021 27.903 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.518 -0.779 29.227 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.777 -1.645 27.896 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.486 -0.525 25.671 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.633 1.349 28.883 1.00 0.00 H new ATOM 0 HE1 TYR A 15 78.492 1.070 24.066 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.634 2.953 27.278 1.00 0.00 H new ATOM 0 HH TYR A 15 80.780 3.622 25.154 1.00 0.00 H new ATOM 239 N HIS A 16 75.913 -0.867 31.017 1.00 0.00 N ATOM 240 CA HIS A 16 75.286 -1.792 32.006 1.00 0.00 C ATOM 241 C HIS A 16 75.909 -3.188 31.887 1.00 0.00 C ATOM 242 O HIS A 16 77.110 -3.336 31.776 1.00 0.00 O ATOM 243 CB HIS A 16 73.779 -1.873 31.744 1.00 0.00 C ATOM 244 CG HIS A 16 73.251 -0.499 31.431 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.167 0.504 32.389 1.00 0.00 N ATOM 246 CD2 HIS A 16 72.776 0.055 30.267 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.658 1.597 31.789 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.404 1.374 30.499 1.00 0.00 N ATOM 0 H HIS A 16 76.370 -0.049 31.419 1.00 0.00 H new ATOM 0 HA HIS A 16 75.460 -1.413 33.013 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.579 -2.549 30.913 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.269 -2.281 32.617 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.703 -0.456 29.318 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.478 2.537 32.290 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.018 2.034 29.824 1.00 0.00 H new ATOM 257 N SER A 17 75.099 -4.216 31.923 1.00 0.00 N ATOM 258 CA SER A 17 75.636 -5.608 31.829 1.00 0.00 C ATOM 259 C SER A 17 75.796 -6.025 30.364 1.00 0.00 C ATOM 260 O SER A 17 76.267 -7.106 30.071 1.00 0.00 O ATOM 261 CB SER A 17 74.673 -6.571 32.524 1.00 0.00 C ATOM 262 OG SER A 17 74.571 -6.224 33.898 1.00 0.00 O ATOM 0 H SER A 17 74.085 -4.151 32.014 1.00 0.00 H new ATOM 0 HA SER A 17 76.612 -5.640 32.313 1.00 0.00 H new ATOM 0 HB2 SER A 17 73.692 -6.526 32.052 1.00 0.00 H new ATOM 0 HB3 SER A 17 75.029 -7.596 32.422 1.00 0.00 H new ATOM 0 HG SER A 17 73.953 -6.839 34.346 1.00 0.00 H new ATOM 268 N ASN A 18 75.411 -5.190 29.437 1.00 0.00 N ATOM 269 CA ASN A 18 75.551 -5.568 28.000 1.00 0.00 C ATOM 270 C ASN A 18 76.991 -5.335 27.547 1.00 0.00 C ATOM 271 O ASN A 18 77.306 -4.324 26.951 1.00 0.00 O ATOM 272 CB ASN A 18 74.619 -4.708 27.144 1.00 0.00 C ATOM 273 CG ASN A 18 73.168 -5.119 27.384 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.901 -6.207 27.853 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.213 -4.287 27.075 1.00 0.00 N ATOM 0 H ASN A 18 75.008 -4.269 29.610 1.00 0.00 H new ATOM 0 HA ASN A 18 75.290 -6.620 27.884 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.753 -3.655 27.390 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.869 -4.823 26.089 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.239 -4.549 27.227 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.440 -3.374 26.681 1.00 0.00 H new ATOM 282 N TRP A 19 77.871 -6.260 27.815 1.00 0.00 N ATOM 283 CA TRP A 19 79.281 -6.069 27.384 1.00 0.00 C ATOM 284 C TRP A 19 79.358 -6.193 25.860 1.00 0.00 C ATOM 285 O TRP A 19 80.300 -5.745 25.239 1.00 0.00 O ATOM 286 CB TRP A 19 80.192 -7.111 28.051 1.00 0.00 C ATOM 287 CG TRP A 19 79.796 -8.500 27.654 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.880 -9.262 28.296 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.301 -9.310 26.552 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.789 -10.486 27.656 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.644 -10.564 26.575 1.00 0.00 C ATOM 292 CE3 TRP A 19 81.255 -9.081 25.542 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.923 -11.554 25.629 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.536 -10.073 24.590 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.872 -11.307 24.633 1.00 0.00 C ATOM 0 H TRP A 19 77.676 -7.131 28.309 1.00 0.00 H new ATOM 0 HA TRP A 19 79.621 -5.079 27.687 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.228 -6.929 27.767 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.136 -7.008 29.135 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.313 -8.964 29.165 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.166 -11.239 27.948 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.774 -8.135 25.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 79.409 -12.503 25.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 82.269 -9.885 23.819 1.00 0.00 H new ATOM 0 HH2 TRP A 19 81.094 -12.066 23.897 1.00 0.00 H new ATOM 306 N ARG A 20 78.369 -6.796 25.250 1.00 0.00 N ATOM 307 CA ARG A 20 78.389 -6.941 23.764 1.00 0.00 C ATOM 308 C ARG A 20 78.416 -5.559 23.117 1.00 0.00 C ATOM 309 O ARG A 20 79.197 -5.295 22.225 1.00 0.00 O ATOM 310 CB ARG A 20 77.128 -7.673 23.289 1.00 0.00 C ATOM 311 CG ARG A 20 76.925 -8.974 24.077 1.00 0.00 C ATOM 312 CD ARG A 20 78.061 -9.964 23.793 1.00 0.00 C ATOM 313 NE ARG A 20 78.330 -10.074 22.321 1.00 0.00 N ATOM 314 CZ ARG A 20 77.389 -10.377 21.464 1.00 0.00 C ATOM 315 NH1 ARG A 20 76.216 -10.776 21.874 1.00 0.00 N ATOM 316 NH2 ARG A 20 77.646 -10.341 20.185 1.00 0.00 N ATOM 0 H ARG A 20 77.552 -7.192 25.715 1.00 0.00 H new ATOM 0 HA ARG A 20 79.275 -7.510 23.481 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.259 -7.028 23.413 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.210 -7.896 22.225 1.00 0.00 H new ATOM 0 HG2 ARG A 20 76.885 -8.756 25.144 1.00 0.00 H new ATOM 0 HG3 ARG A 20 75.969 -9.423 23.807 1.00 0.00 H new ATOM 0 HD2 ARG A 20 78.966 -9.640 24.307 1.00 0.00 H new ATOM 0 HD3 ARG A 20 77.801 -10.944 24.192 1.00 0.00 H new ATOM 0 HE ARG A 20 79.276 -9.907 21.978 1.00 0.00 H new ATOM 0 HH11 ARG A 20 76.024 -10.855 22.873 1.00 0.00 H new ATOM 0 HH12 ARG A 20 75.491 -11.009 21.196 1.00 0.00 H new ATOM 0 HH21 ARG A 20 78.576 -10.078 19.859 1.00 0.00 H new ATOM 0 HH22 ARG A 20 76.917 -10.576 19.512 1.00 0.00 H new ATOM 330 N ALA A 21 77.561 -4.677 23.551 1.00 0.00 N ATOM 331 CA ALA A 21 77.532 -3.315 22.949 1.00 0.00 C ATOM 332 C ALA A 21 78.865 -2.620 23.216 1.00 0.00 C ATOM 333 O ALA A 21 79.417 -1.963 22.357 1.00 0.00 O ATOM 334 CB ALA A 21 76.399 -2.500 23.580 1.00 0.00 C ATOM 0 H ALA A 21 76.882 -4.839 24.295 1.00 0.00 H new ATOM 0 HA ALA A 21 77.366 -3.394 21.875 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.378 -1.503 23.139 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.447 -2.998 23.396 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.564 -2.418 24.654 1.00 0.00 H new ATOM 340 N MET A 22 79.388 -2.763 24.400 1.00 0.00 N ATOM 341 CA MET A 22 80.688 -2.115 24.718 1.00 0.00 C ATOM 342 C MET A 22 81.781 -2.672 23.802 1.00 0.00 C ATOM 343 O MET A 22 82.565 -1.937 23.240 1.00 0.00 O ATOM 344 CB MET A 22 81.043 -2.392 26.180 1.00 0.00 C ATOM 345 CG MET A 22 82.358 -1.696 26.533 1.00 0.00 C ATOM 346 SD MET A 22 82.593 -1.723 28.328 1.00 0.00 S ATOM 347 CE MET A 22 82.503 -3.517 28.554 1.00 0.00 C ATOM 0 H MET A 22 78.972 -3.300 25.161 1.00 0.00 H new ATOM 0 HA MET A 22 80.609 -1.039 24.561 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.245 -2.035 26.832 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.133 -3.466 26.345 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.191 -2.197 26.039 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.345 -0.667 26.173 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.981 -3.790 29.495 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.459 -3.829 28.574 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.015 -4.014 27.730 1.00 0.00 H new ATOM 357 N ALA A 23 81.844 -3.966 23.642 1.00 0.00 N ATOM 358 CA ALA A 23 82.897 -4.552 22.764 1.00 0.00 C ATOM 359 C ALA A 23 82.747 -4.011 21.338 1.00 0.00 C ATOM 360 O ALA A 23 83.717 -3.686 20.682 1.00 0.00 O ATOM 361 CB ALA A 23 82.760 -6.074 22.743 1.00 0.00 C ATOM 0 H ALA A 23 81.215 -4.640 24.079 1.00 0.00 H new ATOM 0 HA ALA A 23 83.877 -4.278 23.154 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.531 -6.500 22.101 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.875 -6.464 23.755 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.777 -6.346 22.359 1.00 0.00 H new ATOM 367 N SER A 24 81.540 -3.924 20.851 1.00 0.00 N ATOM 368 CA SER A 24 81.331 -3.419 19.464 1.00 0.00 C ATOM 369 C SER A 24 81.762 -1.952 19.358 1.00 0.00 C ATOM 370 O SER A 24 82.344 -1.539 18.376 1.00 0.00 O ATOM 371 CB SER A 24 79.852 -3.544 19.093 1.00 0.00 C ATOM 372 OG SER A 24 79.511 -4.921 18.988 1.00 0.00 O ATOM 0 H SER A 24 80.690 -4.180 21.353 1.00 0.00 H new ATOM 0 HA SER A 24 81.935 -4.014 18.779 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.233 -3.060 19.849 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.657 -3.036 18.149 1.00 0.00 H new ATOM 0 HG SER A 24 79.390 -5.297 19.885 1.00 0.00 H new ATOM 378 N ASP A 25 81.472 -1.158 20.351 1.00 0.00 N ATOM 379 CA ASP A 25 81.860 0.283 20.285 1.00 0.00 C ATOM 380 C ASP A 25 83.378 0.435 20.396 1.00 0.00 C ATOM 381 O ASP A 25 83.977 1.236 19.706 1.00 0.00 O ATOM 382 CB ASP A 25 81.190 1.044 21.426 1.00 0.00 C ATOM 383 CG ASP A 25 79.693 1.168 21.141 1.00 0.00 C ATOM 384 OD1 ASP A 25 79.344 1.900 20.229 1.00 0.00 O ATOM 385 OD2 ASP A 25 78.921 0.523 21.830 1.00 0.00 O ATOM 0 H ASP A 25 80.986 -1.440 21.202 1.00 0.00 H new ATOM 0 HA ASP A 25 81.535 0.689 19.327 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.350 0.522 22.370 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.635 2.034 21.529 1.00 0.00 H new ATOM 390 N PHE A 26 84.010 -0.329 21.246 1.00 0.00 N ATOM 391 CA PHE A 26 85.497 -0.222 21.378 1.00 0.00 C ATOM 392 C PHE A 26 86.152 -1.240 20.442 1.00 0.00 C ATOM 393 O PHE A 26 87.359 -1.321 20.342 1.00 0.00 O ATOM 394 CB PHE A 26 85.928 -0.506 22.822 1.00 0.00 C ATOM 395 CG PHE A 26 85.559 0.657 23.719 1.00 0.00 C ATOM 396 CD1 PHE A 26 86.460 1.713 23.901 1.00 0.00 C ATOM 397 CD2 PHE A 26 84.320 0.678 24.374 1.00 0.00 C ATOM 398 CE1 PHE A 26 86.125 2.788 24.732 1.00 0.00 C ATOM 399 CE2 PHE A 26 83.985 1.753 25.206 1.00 0.00 C ATOM 400 CZ PHE A 26 84.887 2.808 25.385 1.00 0.00 C ATOM 0 H PHE A 26 83.567 -1.019 21.852 1.00 0.00 H new ATOM 0 HA PHE A 26 85.809 0.788 21.113 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.448 -1.417 23.180 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.004 -0.677 22.861 1.00 0.00 H new ATOM 0 HD1 PHE A 26 87.416 1.698 23.399 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.623 -0.136 24.237 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.821 3.602 24.869 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.030 1.768 25.710 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.628 3.637 26.027 1.00 0.00 H new ATOM 410 N ASN A 27 85.358 -2.008 19.745 1.00 0.00 N ATOM 411 CA ASN A 27 85.922 -3.015 18.802 1.00 0.00 C ATOM 412 C ASN A 27 86.973 -3.871 19.509 1.00 0.00 C ATOM 413 O ASN A 27 88.065 -4.062 19.011 1.00 0.00 O ATOM 414 CB ASN A 27 86.562 -2.292 17.616 1.00 0.00 C ATOM 415 CG ASN A 27 85.478 -1.557 16.825 1.00 0.00 C ATOM 416 OD1 ASN A 27 84.354 -2.167 16.559 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 85.655 -0.416 16.445 1.00 0.00 N flip ATOM 0 H ASN A 27 84.339 -1.981 19.789 1.00 0.00 H new ATOM 0 HA ASN A 27 85.120 -3.664 18.450 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.313 -1.585 17.969 1.00 0.00 H new ATOM 0 HB3 ASN A 27 87.075 -3.007 16.973 1.00 0.00 H new ATOM 0 HD21 ASN A 27 86.533 0.060 16.653 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.926 0.065 15.918 1.00 0.00 H new ATOM 424 N LEU A 28 86.645 -4.395 20.665 1.00 0.00 N ATOM 425 CA LEU A 28 87.611 -5.257 21.424 1.00 0.00 C ATOM 426 C LEU A 28 87.027 -6.673 21.547 1.00 0.00 C ATOM 427 O LEU A 28 85.824 -6.844 21.564 1.00 0.00 O ATOM 428 CB LEU A 28 87.798 -4.682 22.832 1.00 0.00 C ATOM 429 CG LEU A 28 88.645 -3.394 22.784 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.408 -2.570 24.056 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.142 -3.743 22.699 1.00 0.00 C ATOM 0 H LEU A 28 85.742 -4.262 21.121 1.00 0.00 H new ATOM 0 HA LEU A 28 88.567 -5.287 20.901 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.826 -4.468 23.275 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.284 -5.420 23.470 1.00 0.00 H new ATOM 0 HG LEU A 28 88.351 -2.821 21.905 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.008 -1.661 24.018 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.353 -2.305 24.127 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.694 -3.157 24.929 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.728 -2.825 22.666 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.430 -4.326 23.574 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.329 -4.326 21.797 1.00 0.00 H new ATOM 443 N PRO A 29 87.860 -7.686 21.644 1.00 0.00 N ATOM 444 CA PRO A 29 87.385 -9.094 21.778 1.00 0.00 C ATOM 445 C PRO A 29 86.838 -9.381 23.193 1.00 0.00 C ATOM 446 O PRO A 29 87.249 -8.758 24.151 1.00 0.00 O ATOM 447 CB PRO A 29 88.646 -9.923 21.500 1.00 0.00 C ATOM 448 CG PRO A 29 89.770 -9.049 21.947 1.00 0.00 C ATOM 449 CD PRO A 29 89.335 -7.613 21.634 1.00 0.00 C ATOM 0 HA PRO A 29 86.561 -9.322 21.101 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.632 -10.864 22.049 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.733 -10.172 20.442 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.963 -9.175 23.012 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.692 -9.301 21.424 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.707 -6.910 22.380 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.713 -7.281 20.667 1.00 0.00 H new ATOM 457 N PRO A 30 85.920 -10.313 23.329 1.00 0.00 N ATOM 458 CA PRO A 30 85.327 -10.668 24.653 1.00 0.00 C ATOM 459 C PRO A 30 86.361 -10.713 25.790 1.00 0.00 C ATOM 460 O PRO A 30 86.026 -10.544 26.946 1.00 0.00 O ATOM 461 CB PRO A 30 84.739 -12.066 24.417 1.00 0.00 C ATOM 462 CG PRO A 30 84.393 -12.111 22.959 1.00 0.00 C ATOM 463 CD PRO A 30 85.340 -11.130 22.243 1.00 0.00 C ATOM 0 HA PRO A 30 84.599 -9.923 24.972 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.458 -12.843 24.674 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.857 -12.231 25.036 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.513 -13.120 22.565 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.352 -11.828 22.800 1.00 0.00 H new ATOM 0 HD2 PRO A 30 86.115 -11.660 21.689 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.801 -10.511 21.526 1.00 0.00 H new ATOM 471 N VAL A 31 87.604 -10.970 25.483 1.00 0.00 N ATOM 472 CA VAL A 31 88.623 -11.056 26.570 1.00 0.00 C ATOM 473 C VAL A 31 88.700 -9.732 27.333 1.00 0.00 C ATOM 474 O VAL A 31 88.645 -9.702 28.547 1.00 0.00 O ATOM 475 CB VAL A 31 89.997 -11.372 25.963 1.00 0.00 C ATOM 476 CG1 VAL A 31 91.095 -11.218 27.030 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.999 -12.812 25.447 1.00 0.00 C ATOM 0 H VAL A 31 87.956 -11.123 24.538 1.00 0.00 H new ATOM 0 HA VAL A 31 88.333 -11.848 27.260 1.00 0.00 H new ATOM 0 HB VAL A 31 90.193 -10.680 25.144 1.00 0.00 H new ATOM 0 HG11 VAL A 31 92.066 -11.445 26.589 1.00 0.00 H new ATOM 0 HG12 VAL A 31 91.097 -10.195 27.405 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.901 -11.906 27.853 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.973 -13.042 25.015 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.798 -13.495 26.273 1.00 0.00 H new ATOM 0 HG23 VAL A 31 89.228 -12.927 24.686 1.00 0.00 H new ATOM 487 N VAL A 32 88.834 -8.638 26.638 1.00 0.00 N ATOM 488 CA VAL A 32 88.925 -7.328 27.339 1.00 0.00 C ATOM 489 C VAL A 32 87.547 -6.927 27.862 1.00 0.00 C ATOM 490 O VAL A 32 87.412 -6.432 28.964 1.00 0.00 O ATOM 491 CB VAL A 32 89.423 -6.263 26.371 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.502 -4.919 27.092 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.810 -6.649 25.845 1.00 0.00 C ATOM 0 H VAL A 32 88.884 -8.594 25.620 1.00 0.00 H new ATOM 0 HA VAL A 32 89.620 -7.417 28.174 1.00 0.00 H new ATOM 0 HB VAL A 32 88.732 -6.185 25.532 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.858 -4.156 26.400 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.513 -4.644 27.458 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.191 -4.997 27.933 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.162 -5.884 25.153 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.506 -6.731 26.680 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.749 -7.606 25.328 1.00 0.00 H new ATOM 503 N ALA A 33 86.523 -7.128 27.079 1.00 0.00 N ATOM 504 CA ALA A 33 85.159 -6.750 27.537 1.00 0.00 C ATOM 505 C ALA A 33 84.830 -7.535 28.806 1.00 0.00 C ATOM 506 O ALA A 33 84.385 -6.982 29.790 1.00 0.00 O ATOM 507 CB ALA A 33 84.142 -7.071 26.439 1.00 0.00 C ATOM 0 H ALA A 33 86.572 -7.536 26.146 1.00 0.00 H new ATOM 0 HA ALA A 33 85.118 -5.682 27.750 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.143 -6.794 26.776 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.390 -6.510 25.538 1.00 0.00 H new ATOM 0 HB3 ALA A 33 84.168 -8.138 26.220 1.00 0.00 H new ATOM 513 N LYS A 34 85.073 -8.815 28.799 1.00 0.00 N ATOM 514 CA LYS A 34 84.802 -9.630 30.016 1.00 0.00 C ATOM 515 C LYS A 34 85.644 -9.091 31.173 1.00 0.00 C ATOM 516 O LYS A 34 85.198 -9.018 32.301 1.00 0.00 O ATOM 517 CB LYS A 34 85.191 -11.092 29.751 1.00 0.00 C ATOM 518 CG LYS A 34 84.210 -11.753 28.766 1.00 0.00 C ATOM 519 CD LYS A 34 82.933 -12.200 29.495 1.00 0.00 C ATOM 520 CE LYS A 34 82.091 -13.075 28.560 1.00 0.00 C ATOM 521 NZ LYS A 34 82.832 -14.332 28.251 1.00 0.00 N ATOM 0 H LYS A 34 85.447 -9.333 28.004 1.00 0.00 H new ATOM 0 HA LYS A 34 83.743 -9.574 30.266 1.00 0.00 H new ATOM 0 HB2 LYS A 34 86.202 -11.136 29.347 1.00 0.00 H new ATOM 0 HB3 LYS A 34 85.198 -11.646 30.690 1.00 0.00 H new ATOM 0 HG2 LYS A 34 83.955 -11.051 27.972 1.00 0.00 H new ATOM 0 HG3 LYS A 34 84.685 -12.612 28.292 1.00 0.00 H new ATOM 0 HD2 LYS A 34 83.192 -12.756 30.396 1.00 0.00 H new ATOM 0 HD3 LYS A 34 82.358 -11.329 29.811 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.135 -13.310 29.028 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.871 -12.535 27.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 82.155 -15.085 28.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.467 -14.171 27.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 83.391 -14.618 29.080 1.00 0.00 H new ATOM 535 N GLU A 35 86.865 -8.723 30.899 1.00 0.00 N ATOM 536 CA GLU A 35 87.750 -8.200 31.978 1.00 0.00 C ATOM 537 C GLU A 35 87.191 -6.891 32.537 1.00 0.00 C ATOM 538 O GLU A 35 87.215 -6.660 33.730 1.00 0.00 O ATOM 539 CB GLU A 35 89.143 -7.943 31.403 1.00 0.00 C ATOM 540 CG GLU A 35 90.122 -7.603 32.535 1.00 0.00 C ATOM 541 CD GLU A 35 89.938 -6.144 32.972 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.379 -5.377 32.207 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.361 -5.822 34.070 1.00 0.00 O ATOM 0 H GLU A 35 87.289 -8.762 29.972 1.00 0.00 H new ATOM 0 HA GLU A 35 87.803 -8.936 32.781 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.491 -8.823 30.862 1.00 0.00 H new ATOM 0 HB3 GLU A 35 89.104 -7.123 30.686 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.955 -8.268 33.382 1.00 0.00 H new ATOM 0 HG3 GLU A 35 91.147 -7.764 32.200 1.00 0.00 H new ATOM 550 N ILE A 36 86.686 -6.029 31.698 1.00 0.00 N ATOM 551 CA ILE A 36 86.133 -4.747 32.214 1.00 0.00 C ATOM 552 C ILE A 36 84.979 -5.072 33.164 1.00 0.00 C ATOM 553 O ILE A 36 84.863 -4.512 34.236 1.00 0.00 O ATOM 554 CB ILE A 36 85.642 -3.893 31.045 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.849 -3.409 30.235 1.00 0.00 C ATOM 556 CG2 ILE A 36 84.873 -2.681 31.578 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.367 -2.794 28.920 1.00 0.00 C ATOM 0 H ILE A 36 86.633 -6.155 30.687 1.00 0.00 H new ATOM 0 HA ILE A 36 86.900 -4.186 32.748 1.00 0.00 H new ATOM 0 HB ILE A 36 84.984 -4.488 30.412 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.413 -2.673 30.808 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.523 -4.242 30.034 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.525 -2.075 30.742 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.017 -3.021 32.161 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.529 -2.083 32.211 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.225 -2.449 28.343 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.822 -3.543 28.346 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.710 -1.950 29.132 1.00 0.00 H new ATOM 569 N VAL A 37 84.145 -6.006 32.793 1.00 0.00 N ATOM 570 CA VAL A 37 83.023 -6.401 33.689 1.00 0.00 C ATOM 571 C VAL A 37 83.641 -7.022 34.937 1.00 0.00 C ATOM 572 O VAL A 37 83.197 -6.814 36.049 1.00 0.00 O ATOM 573 CB VAL A 37 82.155 -7.449 32.979 1.00 0.00 C ATOM 574 CG1 VAL A 37 80.936 -7.786 33.838 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.681 -6.900 31.632 1.00 0.00 C ATOM 0 H VAL A 37 84.193 -6.512 31.908 1.00 0.00 H new ATOM 0 HA VAL A 37 82.404 -5.541 33.945 1.00 0.00 H new ATOM 0 HB VAL A 37 82.749 -8.349 32.821 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.325 -8.530 33.327 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.266 -8.184 34.798 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.346 -6.884 34.003 1.00 0.00 H new ATOM 0 HG21 VAL A 37 81.065 -7.647 31.131 1.00 0.00 H new ATOM 0 HG22 VAL A 37 81.095 -5.995 31.794 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.545 -6.666 31.010 1.00 0.00 H new ATOM 585 N ALA A 38 84.671 -7.793 34.737 1.00 0.00 N ATOM 586 CA ALA A 38 85.357 -8.464 35.870 1.00 0.00 C ATOM 587 C ALA A 38 85.930 -7.429 36.844 1.00 0.00 C ATOM 588 O ALA A 38 86.100 -7.699 38.016 1.00 0.00 O ATOM 589 CB ALA A 38 86.496 -9.322 35.323 1.00 0.00 C ATOM 0 H ALA A 38 85.072 -7.989 33.820 1.00 0.00 H new ATOM 0 HA ALA A 38 84.636 -9.084 36.402 1.00 0.00 H new ATOM 0 HB1 ALA A 38 87.006 -9.819 36.148 1.00 0.00 H new ATOM 0 HB2 ALA A 38 86.092 -10.071 34.642 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.204 -8.689 34.788 1.00 0.00 H new ATOM 595 N SER A 39 86.253 -6.253 36.370 1.00 0.00 N ATOM 596 CA SER A 39 86.840 -5.221 37.276 1.00 0.00 C ATOM 597 C SER A 39 85.721 -4.412 37.928 1.00 0.00 C ATOM 598 O SER A 39 85.803 -4.043 39.082 1.00 0.00 O ATOM 599 CB SER A 39 87.734 -4.285 36.462 1.00 0.00 C ATOM 600 OG SER A 39 88.704 -5.053 35.762 1.00 0.00 O ATOM 0 H SER A 39 86.136 -5.964 35.399 1.00 0.00 H new ATOM 0 HA SER A 39 87.429 -5.712 38.051 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.132 -3.709 35.759 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.226 -3.569 37.121 1.00 0.00 H new ATOM 0 HG SER A 39 88.933 -4.604 34.922 1.00 0.00 H new ATOM 606 N CYS A 40 84.668 -4.148 37.209 1.00 0.00 N ATOM 607 CA CYS A 40 83.546 -3.380 37.810 1.00 0.00 C ATOM 608 C CYS A 40 83.046 -4.138 39.040 1.00 0.00 C ATOM 609 O CYS A 40 82.791 -5.323 38.981 1.00 0.00 O ATOM 610 CB CYS A 40 82.415 -3.241 36.790 1.00 0.00 C ATOM 611 SG CYS A 40 81.280 -1.938 37.324 1.00 0.00 S ATOM 0 H CYS A 40 84.536 -4.429 36.237 1.00 0.00 H new ATOM 0 HA CYS A 40 83.883 -2.384 38.098 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.824 -3.002 35.808 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.881 -4.186 36.692 1.00 0.00 H new ATOM 616 N ASP A 41 82.917 -3.477 40.156 1.00 0.00 N ATOM 617 CA ASP A 41 82.451 -4.183 41.383 1.00 0.00 C ATOM 618 C ASP A 41 80.939 -4.409 41.319 1.00 0.00 C ATOM 619 O ASP A 41 80.418 -5.332 41.912 1.00 0.00 O ATOM 620 CB ASP A 41 82.773 -3.333 42.613 1.00 0.00 C ATOM 621 CG ASP A 41 84.287 -3.282 42.824 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.969 -4.146 42.297 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.739 -2.380 43.510 1.00 0.00 O ATOM 0 H ASP A 41 83.113 -2.483 40.272 1.00 0.00 H new ATOM 0 HA ASP A 41 82.958 -5.145 41.449 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.380 -2.325 42.483 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.287 -3.753 43.494 1.00 0.00 H new ATOM 628 N LYS A 42 80.225 -3.570 40.622 1.00 0.00 N ATOM 629 CA LYS A 42 78.744 -3.743 40.551 1.00 0.00 C ATOM 630 C LYS A 42 78.397 -4.954 39.684 1.00 0.00 C ATOM 631 O LYS A 42 77.498 -5.711 39.992 1.00 0.00 O ATOM 632 CB LYS A 42 78.121 -2.489 39.937 1.00 0.00 C ATOM 633 CG LYS A 42 78.286 -1.317 40.903 1.00 0.00 C ATOM 634 CD LYS A 42 77.664 -0.059 40.296 1.00 0.00 C ATOM 635 CE LYS A 42 77.834 1.106 41.269 1.00 0.00 C ATOM 636 NZ LYS A 42 77.461 2.378 40.591 1.00 0.00 N ATOM 0 H LYS A 42 80.598 -2.776 40.101 1.00 0.00 H new ATOM 0 HA LYS A 42 78.353 -3.900 41.556 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.600 -2.260 38.985 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.064 -2.658 39.730 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.808 -1.548 41.855 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.343 -1.149 41.109 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.141 0.174 39.344 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.607 -0.225 40.090 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.208 0.953 42.148 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.866 1.156 41.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.094 3.139 40.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 77.550 2.262 39.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.478 2.623 40.828 1.00 0.00 H new ATOM 650 N CYS A 43 79.098 -5.142 38.600 1.00 0.00 N ATOM 651 CA CYS A 43 78.805 -6.305 37.712 1.00 0.00 C ATOM 652 C CYS A 43 79.580 -7.536 38.192 1.00 0.00 C ATOM 653 O CYS A 43 79.517 -8.591 37.593 1.00 0.00 O ATOM 654 CB CYS A 43 79.203 -5.973 36.276 1.00 0.00 C ATOM 655 SG CYS A 43 78.356 -4.460 35.747 1.00 0.00 S ATOM 0 H CYS A 43 79.861 -4.541 38.290 1.00 0.00 H new ATOM 0 HA CYS A 43 77.737 -6.519 37.748 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.283 -5.840 36.208 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.941 -6.799 35.615 1.00 0.00 H new ATOM 660 N GLN A 44 80.321 -7.410 39.262 1.00 0.00 N ATOM 661 CA GLN A 44 81.104 -8.576 39.764 1.00 0.00 C ATOM 662 C GLN A 44 80.178 -9.532 40.519 1.00 0.00 C ATOM 663 O GLN A 44 79.891 -10.620 40.061 1.00 0.00 O ATOM 664 CB GLN A 44 82.200 -8.083 40.715 1.00 0.00 C ATOM 665 CG GLN A 44 83.144 -9.239 41.063 1.00 0.00 C ATOM 666 CD GLN A 44 83.942 -9.647 39.825 1.00 0.00 C ATOM 667 OE1 GLN A 44 84.065 -8.807 38.835 1.00 0.00 O flip ATOM 668 NE2 GLN A 44 84.458 -10.744 39.754 1.00 0.00 N flip ATOM 0 H GLN A 44 80.417 -6.553 39.807 1.00 0.00 H new ATOM 0 HA GLN A 44 81.555 -9.096 38.919 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.760 -7.272 40.250 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.752 -7.681 41.624 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.822 -8.939 41.861 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.571 -10.089 41.434 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.363 -11.403 40.527 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.986 -11.006 38.922 1.00 0.00 H new ATOM 677 N LEU A 45 79.709 -9.138 41.669 1.00 0.00 N ATOM 678 CA LEU A 45 78.805 -10.033 42.447 1.00 0.00 C ATOM 679 C LEU A 45 77.371 -9.880 41.935 1.00 0.00 C ATOM 680 O LEU A 45 76.859 -8.785 41.817 1.00 0.00 O ATOM 681 CB LEU A 45 78.847 -9.643 43.928 1.00 0.00 C ATOM 682 CG LEU A 45 80.299 -9.607 44.417 1.00 0.00 C ATOM 683 CD1 LEU A 45 80.322 -9.223 45.901 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.952 -10.986 44.229 1.00 0.00 C ATOM 0 H LEU A 45 79.911 -8.238 42.104 1.00 0.00 H new ATOM 0 HA LEU A 45 79.133 -11.066 42.328 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.382 -8.667 44.069 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.273 -10.358 44.518 1.00 0.00 H new ATOM 0 HG LEU A 45 80.857 -8.871 43.838 1.00 0.00 H new ATOM 0 HD11 LEU A 45 81.353 -9.196 46.254 1.00 0.00 H new ATOM 0 HD12 LEU A 45 79.869 -8.240 46.030 1.00 0.00 H new ATOM 0 HD13 LEU A 45 79.761 -9.959 46.476 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.984 -10.951 44.579 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.400 -11.731 44.801 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.936 -11.255 43.173 1.00 0.00 H new ATOM 696 N LYS A 46 76.712 -10.969 41.642 1.00 0.00 N ATOM 697 CA LYS A 46 75.309 -10.876 41.151 1.00 0.00 C ATOM 698 C LYS A 46 74.372 -10.650 42.339 1.00 0.00 C ATOM 699 O LYS A 46 74.717 -10.921 43.472 1.00 0.00 O ATOM 700 CB LYS A 46 74.920 -12.169 40.431 1.00 0.00 C ATOM 701 CG LYS A 46 75.680 -12.271 39.108 1.00 0.00 C ATOM 702 CD LYS A 46 75.286 -13.565 38.394 1.00 0.00 C ATOM 703 CE LYS A 46 76.041 -13.669 37.069 1.00 0.00 C ATOM 704 NZ LYS A 46 77.506 -13.578 37.321 1.00 0.00 N ATOM 0 H LYS A 46 77.084 -11.915 41.721 1.00 0.00 H new ATOM 0 HA LYS A 46 75.226 -10.042 40.454 1.00 0.00 H new ATOM 0 HB2 LYS A 46 75.148 -13.030 41.060 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.846 -12.185 40.247 1.00 0.00 H new ATOM 0 HG2 LYS A 46 75.452 -11.411 38.478 1.00 0.00 H new ATOM 0 HG3 LYS A 46 76.754 -12.256 39.291 1.00 0.00 H new ATOM 0 HD2 LYS A 46 75.516 -14.424 39.024 1.00 0.00 H new ATOM 0 HD3 LYS A 46 74.211 -13.580 38.214 1.00 0.00 H new ATOM 0 HE2 LYS A 46 75.804 -14.612 36.577 1.00 0.00 H new ATOM 0 HE3 LYS A 46 75.727 -12.871 36.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 78.022 -14.022 36.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 77.784 -12.579 37.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 77.737 -14.070 38.208 1.00 0.00 H new ATOM 718 N GLY A 47 73.192 -10.151 42.090 1.00 0.00 N ATOM 719 CA GLY A 47 72.235 -9.901 43.204 1.00 0.00 C ATOM 720 C GLY A 47 71.902 -11.216 43.913 1.00 0.00 C ATOM 721 O GLY A 47 71.099 -11.253 44.824 1.00 0.00 O ATOM 0 H GLY A 47 72.849 -9.905 41.161 1.00 0.00 H new ATOM 0 HA2 GLY A 47 72.666 -9.195 43.913 1.00 0.00 H new ATOM 0 HA3 GLY A 47 71.323 -9.446 42.816 1.00 0.00 H new ATOM 725 N GLU A 48 72.512 -12.297 43.507 1.00 0.00 N ATOM 726 CA GLU A 48 72.229 -13.605 44.166 1.00 0.00 C ATOM 727 C GLU A 48 73.069 -13.720 45.440 1.00 0.00 C ATOM 728 O GLU A 48 74.169 -13.211 45.514 1.00 0.00 O ATOM 729 CB GLU A 48 72.592 -14.747 43.215 1.00 0.00 C ATOM 730 CG GLU A 48 71.602 -14.782 42.050 1.00 0.00 C ATOM 731 CD GLU A 48 71.969 -15.926 41.102 1.00 0.00 C ATOM 732 OE1 GLU A 48 73.025 -16.508 41.288 1.00 0.00 O ATOM 733 OE2 GLU A 48 71.184 -16.204 40.210 1.00 0.00 O ATOM 0 H GLU A 48 73.193 -12.331 42.749 1.00 0.00 H new ATOM 0 HA GLU A 48 71.170 -13.665 44.417 1.00 0.00 H new ATOM 0 HB2 GLU A 48 73.606 -14.612 42.839 1.00 0.00 H new ATOM 0 HB3 GLU A 48 72.574 -15.697 43.749 1.00 0.00 H new ATOM 0 HG2 GLU A 48 70.588 -14.918 42.425 1.00 0.00 H new ATOM 0 HG3 GLU A 48 71.620 -13.832 41.515 1.00 0.00 H new ATOM 740 N ALA A 49 72.562 -14.383 46.445 1.00 0.00 N ATOM 741 CA ALA A 49 73.339 -14.522 47.709 1.00 0.00 C ATOM 742 C ALA A 49 72.658 -15.541 48.626 1.00 0.00 C ATOM 743 O ALA A 49 71.534 -15.941 48.400 1.00 0.00 O ATOM 744 CB ALA A 49 73.407 -13.167 48.418 1.00 0.00 C ATOM 0 H ALA A 49 71.646 -14.833 46.445 1.00 0.00 H new ATOM 0 HA ALA A 49 74.347 -14.864 47.475 1.00 0.00 H new ATOM 0 HB1 ALA A 49 73.975 -13.268 49.343 1.00 0.00 H new ATOM 0 HB2 ALA A 49 73.896 -12.441 47.769 1.00 0.00 H new ATOM 0 HB3 ALA A 49 72.398 -12.826 48.648 1.00 0.00 H new ATOM 750 N MET A 50 73.338 -15.959 49.661 1.00 0.00 N ATOM 751 CA MET A 50 72.752 -16.950 50.612 1.00 0.00 C ATOM 752 C MET A 50 72.549 -18.297 49.905 1.00 0.00 C ATOM 753 O MET A 50 71.761 -19.116 50.332 1.00 0.00 O ATOM 754 CB MET A 50 71.399 -16.431 51.133 1.00 0.00 C ATOM 755 CG MET A 50 71.062 -17.101 52.470 1.00 0.00 C ATOM 756 SD MET A 50 69.453 -16.505 53.051 1.00 0.00 S ATOM 757 CE MET A 50 69.359 -17.479 54.577 1.00 0.00 C ATOM 0 H MET A 50 74.284 -15.653 49.890 1.00 0.00 H new ATOM 0 HA MET A 50 73.435 -17.086 51.450 1.00 0.00 H new ATOM 0 HB2 MET A 50 71.439 -15.349 51.259 1.00 0.00 H new ATOM 0 HB3 MET A 50 70.615 -16.639 50.405 1.00 0.00 H new ATOM 0 HG2 MET A 50 71.040 -18.184 52.351 1.00 0.00 H new ATOM 0 HG3 MET A 50 71.833 -16.877 53.207 1.00 0.00 H new ATOM 0 HE1 MET A 50 68.426 -17.255 55.094 1.00 0.00 H new ATOM 0 HE2 MET A 50 69.394 -18.541 54.334 1.00 0.00 H new ATOM 0 HE3 MET A 50 70.201 -17.227 55.222 1.00 0.00 H new ATOM 767 N HIS A 51 73.252 -18.539 48.830 1.00 0.00 N ATOM 768 CA HIS A 51 73.083 -19.840 48.115 1.00 0.00 C ATOM 769 C HIS A 51 73.991 -20.893 48.755 1.00 0.00 C ATOM 770 O HIS A 51 75.193 -20.876 48.583 1.00 0.00 O ATOM 771 CB HIS A 51 73.467 -19.676 46.642 1.00 0.00 C ATOM 772 CG HIS A 51 73.169 -20.956 45.911 1.00 0.00 C ATOM 773 ND1 HIS A 51 71.903 -21.524 45.904 1.00 0.00 N ATOM 774 CD2 HIS A 51 73.959 -21.795 45.162 1.00 0.00 C ATOM 775 CE1 HIS A 51 71.966 -22.653 45.174 1.00 0.00 C ATOM 776 NE2 HIS A 51 73.196 -22.861 44.701 1.00 0.00 N ATOM 0 H HIS A 51 73.931 -17.899 48.418 1.00 0.00 H new ATOM 0 HA HIS A 51 72.042 -20.155 48.186 1.00 0.00 H new ATOM 0 HB2 HIS A 51 72.910 -18.851 46.198 1.00 0.00 H new ATOM 0 HB3 HIS A 51 74.525 -19.430 46.554 1.00 0.00 H new ATOM 0 HD2 HIS A 51 75.010 -21.648 44.963 1.00 0.00 H new ATOM 0 HE1 HIS A 51 71.126 -23.308 44.994 1.00 0.00 H new ATOM 0 HE2 HIS A 51 73.511 -23.640 44.122 1.00 0.00 H new ATOM 785 N GLY A 52 73.422 -21.811 49.495 1.00 0.00 N ATOM 786 CA GLY A 52 74.243 -22.875 50.154 1.00 0.00 C ATOM 787 C GLY A 52 73.720 -23.109 51.572 1.00 0.00 C ATOM 788 O GLY A 52 74.200 -22.523 52.521 1.00 0.00 O ATOM 0 H GLY A 52 72.419 -21.870 49.672 1.00 0.00 H new ATOM 0 HA2 GLY A 52 74.192 -23.799 49.578 1.00 0.00 H new ATOM 0 HA3 GLY A 52 75.291 -22.576 50.185 1.00 0.00 H new ATOM 792 N GLN A 53 72.739 -23.954 51.726 1.00 0.00 N ATOM 793 CA GLN A 53 72.192 -24.213 53.088 1.00 0.00 C ATOM 794 C GLN A 53 73.112 -25.186 53.828 1.00 0.00 C ATOM 795 O GLN A 53 73.762 -26.019 53.227 1.00 0.00 O ATOM 796 CB GLN A 53 70.794 -24.828 52.969 1.00 0.00 C ATOM 797 CG GLN A 53 69.815 -23.772 52.454 1.00 0.00 C ATOM 798 CD GLN A 53 68.438 -24.405 52.241 1.00 0.00 C ATOM 799 OE1 GLN A 53 68.313 -25.612 52.187 1.00 0.00 O ATOM 800 NE2 GLN A 53 67.391 -23.634 52.113 1.00 0.00 N ATOM 0 H GLN A 53 72.293 -24.475 50.971 1.00 0.00 H new ATOM 0 HA GLN A 53 72.131 -23.275 53.640 1.00 0.00 H new ATOM 0 HB2 GLN A 53 70.817 -25.680 52.290 1.00 0.00 H new ATOM 0 HB3 GLN A 53 70.466 -25.202 53.939 1.00 0.00 H new ATOM 0 HG2 GLN A 53 69.742 -22.951 53.167 1.00 0.00 H new ATOM 0 HG3 GLN A 53 70.180 -23.349 51.518 1.00 0.00 H new ATOM 0 HE21 GLN A 53 67.495 -22.620 52.158 1.00 0.00 H new ATOM 0 HE22 GLN A 53 66.469 -24.046 51.968 1.00 0.00 H new ATOM 809 N VAL A 54 73.170 -25.094 55.132 1.00 0.00 N ATOM 810 CA VAL A 54 74.044 -26.019 55.916 1.00 0.00 C ATOM 811 C VAL A 54 73.222 -27.232 56.345 1.00 0.00 C ATOM 812 O VAL A 54 72.063 -27.116 56.691 1.00 0.00 O ATOM 813 CB VAL A 54 74.578 -25.314 57.167 1.00 0.00 C ATOM 814 CG1 VAL A 54 75.580 -24.233 56.764 1.00 0.00 C ATOM 815 CG2 VAL A 54 73.416 -24.674 57.933 1.00 0.00 C ATOM 0 H VAL A 54 72.649 -24.417 55.689 1.00 0.00 H new ATOM 0 HA VAL A 54 74.884 -26.328 55.294 1.00 0.00 H new ATOM 0 HB VAL A 54 75.074 -26.045 57.805 1.00 0.00 H new ATOM 0 HG11 VAL A 54 75.957 -23.735 57.657 1.00 0.00 H new ATOM 0 HG12 VAL A 54 76.411 -24.689 56.226 1.00 0.00 H new ATOM 0 HG13 VAL A 54 75.088 -23.503 56.121 1.00 0.00 H new ATOM 0 HG21 VAL A 54 73.798 -24.173 58.822 1.00 0.00 H new ATOM 0 HG22 VAL A 54 72.916 -23.947 57.294 1.00 0.00 H new ATOM 0 HG23 VAL A 54 72.706 -25.446 58.229 1.00 0.00 H new ATOM 825 N ASP A 55 73.808 -28.396 56.323 1.00 0.00 N ATOM 826 CA ASP A 55 73.056 -29.618 56.727 1.00 0.00 C ATOM 827 C ASP A 55 73.162 -29.799 58.243 1.00 0.00 C ATOM 828 O ASP A 55 72.148 -29.667 58.908 1.00 0.00 O ATOM 829 CB ASP A 55 73.657 -30.839 56.027 1.00 0.00 C ATOM 830 CG ASP A 55 73.549 -30.666 54.511 1.00 0.00 C ATOM 831 OD1 ASP A 55 72.466 -30.355 54.044 1.00 0.00 O ATOM 832 OD2 ASP A 55 74.553 -30.847 53.841 1.00 0.00 O ATOM 833 OXT ASP A 55 74.257 -30.060 58.714 1.00 0.00 O ATOM 0 H ASP A 55 74.776 -28.555 56.043 1.00 0.00 H new ATOM 0 HA ASP A 55 72.009 -29.514 56.443 1.00 0.00 H new ATOM 0 HB2 ASP A 55 74.701 -30.959 56.316 1.00 0.00 H new ATOM 0 HB3 ASP A 55 73.134 -31.743 56.338 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 96.048 -11.402 22.754 1.00 0.00 N ATOM 840 CA PHE B 1 95.095 -12.511 23.048 1.00 0.00 C ATOM 841 C PHE B 1 95.625 -13.802 22.429 1.00 0.00 C ATOM 842 O PHE B 1 95.575 -13.997 21.231 1.00 0.00 O ATOM 843 CB PHE B 1 93.721 -12.173 22.464 1.00 0.00 C ATOM 844 CG PHE B 1 93.418 -10.710 22.710 1.00 0.00 C ATOM 845 CD1 PHE B 1 93.194 -10.253 24.014 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.370 -9.810 21.637 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.919 -8.901 24.246 1.00 0.00 C ATOM 848 CE2 PHE B 1 93.094 -8.456 21.869 1.00 0.00 C ATOM 849 CZ PHE B 1 92.868 -8.003 23.174 1.00 0.00 C ATOM 0 H1 PHE B 1 95.553 -10.490 22.827 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.831 -11.427 23.438 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.425 -11.515 21.791 1.00 0.00 H new ATOM 0 HA PHE B 1 94.998 -12.641 24.126 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.706 -12.384 21.395 1.00 0.00 H new ATOM 0 HB3 PHE B 1 92.954 -12.797 22.923 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.234 -10.945 24.842 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.546 -10.160 20.631 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.746 -8.550 25.253 1.00 0.00 H new ATOM 0 HE2 PHE B 1 93.056 -7.763 21.042 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.654 -6.960 23.354 1.00 0.00 H new ATOM 861 N LEU B 2 96.153 -14.679 23.242 1.00 0.00 N ATOM 862 CA LEU B 2 96.720 -15.959 22.721 1.00 0.00 C ATOM 863 C LEU B 2 95.739 -17.107 22.911 1.00 0.00 C ATOM 864 O LEU B 2 95.083 -17.224 23.919 1.00 0.00 O ATOM 865 CB LEU B 2 98.020 -16.280 23.467 1.00 0.00 C ATOM 866 CG LEU B 2 99.031 -15.138 23.286 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.311 -15.476 24.055 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.361 -14.950 21.794 1.00 0.00 C ATOM 0 H LEU B 2 96.216 -14.563 24.253 1.00 0.00 H new ATOM 0 HA LEU B 2 96.915 -15.840 21.655 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.813 -16.427 24.527 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.442 -17.212 23.092 1.00 0.00 H new ATOM 0 HG LEU B 2 98.600 -14.213 23.669 1.00 0.00 H new ATOM 0 HD11 LEU B 2 101.034 -14.669 23.931 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.079 -15.596 25.113 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.733 -16.404 23.669 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.079 -14.138 21.680 1.00 0.00 H new ATOM 0 HD22 LEU B 2 99.789 -15.871 21.397 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.449 -14.709 21.247 1.00 0.00 H new ATOM 880 N ASP B 3 95.657 -17.972 21.943 1.00 0.00 N ATOM 881 CA ASP B 3 94.744 -19.138 22.061 1.00 0.00 C ATOM 882 C ASP B 3 95.172 -19.955 23.277 1.00 0.00 C ATOM 883 O ASP B 3 94.351 -20.470 24.011 1.00 0.00 O ATOM 884 CB ASP B 3 94.829 -19.993 20.798 1.00 0.00 C ATOM 885 CG ASP B 3 94.187 -19.237 19.633 1.00 0.00 C ATOM 886 OD1 ASP B 3 93.355 -18.384 19.894 1.00 0.00 O ATOM 887 OD2 ASP B 3 94.540 -19.521 18.500 1.00 0.00 O ATOM 0 H ASP B 3 96.185 -17.921 21.072 1.00 0.00 H new ATOM 0 HA ASP B 3 93.714 -18.802 22.180 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.870 -20.222 20.569 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.320 -20.944 20.954 1.00 0.00 H new ATOM 892 N GLY B 4 96.454 -20.066 23.505 1.00 0.00 N ATOM 893 CA GLY B 4 96.941 -20.834 24.688 1.00 0.00 C ATOM 894 C GLY B 4 96.166 -20.382 25.928 1.00 0.00 C ATOM 895 O GLY B 4 96.195 -21.018 26.961 1.00 0.00 O ATOM 0 H GLY B 4 97.185 -19.658 22.923 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.802 -21.903 24.526 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.009 -20.669 24.830 1.00 0.00 H new ATOM 899 N ILE B 5 95.457 -19.292 25.822 1.00 0.00 N ATOM 900 CA ILE B 5 94.657 -18.799 26.973 1.00 0.00 C ATOM 901 C ILE B 5 93.623 -19.865 27.354 1.00 0.00 C ATOM 902 O ILE B 5 93.374 -20.113 28.517 1.00 0.00 O ATOM 903 CB ILE B 5 93.973 -17.479 26.587 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.018 -16.360 26.567 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.874 -17.134 27.599 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.426 -15.122 25.888 1.00 0.00 C ATOM 0 H ILE B 5 95.399 -18.719 24.980 1.00 0.00 H new ATOM 0 HA ILE B 5 95.300 -18.613 27.833 1.00 0.00 H new ATOM 0 HB ILE B 5 93.522 -17.585 25.601 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.327 -16.118 27.584 1.00 0.00 H new ATOM 0 HG13 ILE B 5 95.909 -16.690 26.033 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.398 -16.196 27.313 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.129 -17.930 27.613 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.313 -17.030 28.591 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.169 -14.325 25.873 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.139 -15.370 24.866 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.548 -14.789 26.441 1.00 0.00 H new ATOM 918 N ASP B 6 93.031 -20.509 26.387 1.00 0.00 N ATOM 919 CA ASP B 6 92.031 -21.566 26.707 1.00 0.00 C ATOM 920 C ASP B 6 92.721 -22.656 27.533 1.00 0.00 C ATOM 921 O ASP B 6 92.159 -23.194 28.467 1.00 0.00 O ATOM 922 CB ASP B 6 91.480 -22.174 25.412 1.00 0.00 C ATOM 923 CG ASP B 6 90.594 -21.148 24.697 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.150 -20.220 25.352 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.377 -21.309 23.507 1.00 0.00 O ATOM 0 H ASP B 6 93.195 -20.350 25.393 1.00 0.00 H new ATOM 0 HA ASP B 6 91.205 -21.134 27.271 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.301 -22.476 24.762 1.00 0.00 H new ATOM 0 HB3 ASP B 6 90.905 -23.072 25.636 1.00 0.00 H new ATOM 930 N LYS B 7 93.940 -22.977 27.194 1.00 0.00 N ATOM 931 CA LYS B 7 94.690 -24.022 27.952 1.00 0.00 C ATOM 932 C LYS B 7 94.854 -23.575 29.408 1.00 0.00 C ATOM 933 O LYS B 7 94.770 -24.369 30.324 1.00 0.00 O ATOM 934 CB LYS B 7 96.074 -24.214 27.319 1.00 0.00 C ATOM 935 CG LYS B 7 96.857 -25.287 28.085 1.00 0.00 C ATOM 936 CD LYS B 7 98.234 -25.469 27.443 1.00 0.00 C ATOM 937 CE LYS B 7 99.044 -26.484 28.251 1.00 0.00 C ATOM 938 NZ LYS B 7 98.252 -27.735 28.421 1.00 0.00 N ATOM 0 H LYS B 7 94.453 -22.557 26.419 1.00 0.00 H new ATOM 0 HA LYS B 7 94.140 -24.962 27.919 1.00 0.00 H new ATOM 0 HB2 LYS B 7 95.968 -24.506 26.274 1.00 0.00 H new ATOM 0 HB3 LYS B 7 96.623 -23.272 27.333 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.967 -24.996 29.130 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.310 -26.230 28.072 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.125 -25.812 26.414 1.00 0.00 H new ATOM 0 HD3 LYS B 7 98.759 -24.515 27.407 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.983 -26.703 27.742 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.299 -26.068 29.226 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.891 -28.521 28.656 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 97.563 -27.608 29.189 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.749 -27.950 27.537 1.00 0.00 H new ATOM 952 N ALA B 8 95.103 -22.314 29.627 1.00 0.00 N ATOM 953 CA ALA B 8 95.290 -21.821 31.021 1.00 0.00 C ATOM 954 C ALA B 8 94.047 -22.144 31.850 1.00 0.00 C ATOM 955 O ALA B 8 94.138 -22.492 33.011 1.00 0.00 O ATOM 956 CB ALA B 8 95.504 -20.306 30.999 1.00 0.00 C ATOM 0 H ALA B 8 95.185 -21.603 28.901 1.00 0.00 H new ATOM 0 HA ALA B 8 96.159 -22.308 31.464 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.641 -19.943 32.018 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.390 -20.072 30.408 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.634 -19.822 30.555 1.00 0.00 H new ATOM 962 N GLN B 9 92.887 -22.030 31.269 1.00 0.00 N ATOM 963 CA GLN B 9 91.643 -22.328 32.031 1.00 0.00 C ATOM 964 C GLN B 9 91.681 -23.781 32.509 1.00 0.00 C ATOM 965 O GLN B 9 91.325 -24.092 33.628 1.00 0.00 O ATOM 966 CB GLN B 9 90.437 -22.143 31.110 1.00 0.00 C ATOM 967 CG GLN B 9 90.248 -20.660 30.800 1.00 0.00 C ATOM 968 CD GLN B 9 89.184 -20.506 29.711 1.00 0.00 C ATOM 969 OE1 GLN B 9 88.901 -21.440 28.988 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.580 -19.360 29.563 1.00 0.00 N ATOM 0 H GLN B 9 92.746 -21.744 30.300 1.00 0.00 H new ATOM 0 HA GLN B 9 91.567 -21.657 32.887 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.584 -22.702 30.186 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.541 -22.542 31.584 1.00 0.00 H new ATOM 0 HG2 GLN B 9 89.945 -20.124 31.699 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.190 -20.222 30.470 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.818 -18.576 30.170 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.870 -19.248 28.840 1.00 0.00 H new ATOM 979 N GLU B 10 92.111 -24.669 31.660 1.00 0.00 N ATOM 980 CA GLU B 10 92.181 -26.109 32.038 1.00 0.00 C ATOM 981 C GLU B 10 93.162 -26.299 33.195 1.00 0.00 C ATOM 982 O GLU B 10 92.937 -27.090 34.089 1.00 0.00 O ATOM 983 CB GLU B 10 92.652 -26.926 30.835 1.00 0.00 C ATOM 984 CG GLU B 10 91.551 -26.949 29.774 1.00 0.00 C ATOM 985 CD GLU B 10 90.377 -27.794 30.270 1.00 0.00 C ATOM 986 OE1 GLU B 10 90.579 -28.576 31.184 1.00 0.00 O ATOM 987 OE2 GLU B 10 89.293 -27.641 29.731 1.00 0.00 O ATOM 0 H GLU B 10 92.420 -24.458 30.711 1.00 0.00 H new ATOM 0 HA GLU B 10 91.192 -26.446 32.349 1.00 0.00 H new ATOM 0 HB2 GLU B 10 93.562 -26.492 30.421 1.00 0.00 H new ATOM 0 HB3 GLU B 10 92.895 -27.942 31.145 1.00 0.00 H new ATOM 0 HG2 GLU B 10 91.217 -25.934 29.561 1.00 0.00 H new ATOM 0 HG3 GLU B 10 91.939 -27.359 28.842 1.00 0.00 H new ATOM 994 N GLU B 11 94.266 -25.600 33.168 1.00 0.00 N ATOM 995 CA GLU B 11 95.286 -25.755 34.250 1.00 0.00 C ATOM 996 C GLU B 11 95.075 -24.691 35.333 1.00 0.00 C ATOM 997 O GLU B 11 95.866 -24.563 36.247 1.00 0.00 O ATOM 998 CB GLU B 11 96.685 -25.593 33.648 1.00 0.00 C ATOM 999 CG GLU B 11 96.867 -26.575 32.486 1.00 0.00 C ATOM 1000 CD GLU B 11 96.680 -28.009 32.984 1.00 0.00 C ATOM 1001 OE1 GLU B 11 97.430 -28.417 33.856 1.00 0.00 O ATOM 1002 OE2 GLU B 11 95.791 -28.677 32.482 1.00 0.00 O ATOM 0 H GLU B 11 94.507 -24.926 32.441 1.00 0.00 H new ATOM 0 HA GLU B 11 95.184 -26.743 34.699 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.824 -24.570 33.297 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.442 -25.774 34.411 1.00 0.00 H new ATOM 0 HG2 GLU B 11 96.146 -26.357 31.698 1.00 0.00 H new ATOM 0 HG3 GLU B 11 97.860 -26.458 32.051 1.00 0.00 H new ATOM 1009 N CYS B 12 94.016 -23.934 35.247 1.00 0.00 N ATOM 1010 CA CYS B 12 93.763 -22.890 36.282 1.00 0.00 C ATOM 1011 C CYS B 12 93.857 -23.521 37.671 1.00 0.00 C ATOM 1012 O CYS B 12 94.284 -22.897 38.622 1.00 0.00 O ATOM 1013 CB CYS B 12 92.364 -22.303 36.092 1.00 0.00 C ATOM 1014 SG CYS B 12 92.120 -20.935 37.254 1.00 0.00 S ATOM 0 H CYS B 12 93.316 -23.992 34.507 1.00 0.00 H new ATOM 0 HA CYS B 12 94.506 -22.098 36.184 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.242 -21.950 35.068 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.610 -23.073 36.256 1.00 0.00 H new ATOM 1019 N GLU B 13 93.445 -24.751 37.796 1.00 0.00 N ATOM 1020 CA GLU B 13 93.489 -25.427 39.122 1.00 0.00 C ATOM 1021 C GLU B 13 94.932 -25.478 39.634 1.00 0.00 C ATOM 1022 O GLU B 13 95.184 -25.333 40.813 1.00 0.00 O ATOM 1023 CB GLU B 13 92.940 -26.852 38.986 1.00 0.00 C ATOM 1024 CG GLU B 13 91.450 -26.797 38.635 1.00 0.00 C ATOM 1025 CD GLU B 13 90.662 -26.211 39.809 1.00 0.00 C ATOM 1026 OE1 GLU B 13 91.145 -26.304 40.925 1.00 0.00 O ATOM 1027 OE2 GLU B 13 89.591 -25.678 39.572 1.00 0.00 O ATOM 0 H GLU B 13 93.078 -25.320 37.033 1.00 0.00 H new ATOM 0 HA GLU B 13 92.879 -24.867 39.831 1.00 0.00 H new ATOM 0 HB2 GLU B 13 93.487 -27.391 38.212 1.00 0.00 H new ATOM 0 HB3 GLU B 13 93.085 -27.399 39.918 1.00 0.00 H new ATOM 0 HG2 GLU B 13 91.299 -26.188 37.744 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.084 -27.797 38.403 1.00 0.00 H new ATOM 1034 N LYS B 14 95.883 -25.689 38.765 1.00 0.00 N ATOM 1035 CA LYS B 14 97.302 -25.756 39.218 1.00 0.00 C ATOM 1036 C LYS B 14 97.748 -24.386 39.739 1.00 0.00 C ATOM 1037 O LYS B 14 98.524 -24.291 40.669 1.00 0.00 O ATOM 1038 CB LYS B 14 98.199 -26.165 38.049 1.00 0.00 C ATOM 1039 CG LYS B 14 97.928 -27.624 37.677 1.00 0.00 C ATOM 1040 CD LYS B 14 98.831 -28.023 36.507 1.00 0.00 C ATOM 1041 CE LYS B 14 98.566 -29.482 36.128 1.00 0.00 C ATOM 1042 NZ LYS B 14 99.391 -29.843 34.940 1.00 0.00 N ATOM 0 H LYS B 14 95.739 -25.818 37.763 1.00 0.00 H new ATOM 0 HA LYS B 14 97.383 -26.493 40.017 1.00 0.00 H new ATOM 0 HB2 LYS B 14 98.011 -25.520 37.191 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.247 -26.037 38.320 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.116 -28.271 38.534 1.00 0.00 H new ATOM 0 HG3 LYS B 14 96.881 -27.753 37.404 1.00 0.00 H new ATOM 0 HD2 LYS B 14 98.642 -27.375 35.651 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.878 -27.892 36.781 1.00 0.00 H new ATOM 0 HE2 LYS B 14 98.808 -30.136 36.965 1.00 0.00 H new ATOM 0 HE3 LYS B 14 97.508 -29.625 35.907 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 99.455 -30.878 34.863 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 98.949 -29.459 34.081 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.346 -29.444 35.046 1.00 0.00 H new ATOM 1056 N TYR B 15 97.278 -23.322 39.142 1.00 0.00 N ATOM 1057 CA TYR B 15 97.694 -21.962 39.602 1.00 0.00 C ATOM 1058 C TYR B 15 96.779 -21.492 40.734 1.00 0.00 C ATOM 1059 O TYR B 15 97.129 -20.618 41.501 1.00 0.00 O ATOM 1060 CB TYR B 15 97.599 -20.986 38.430 1.00 0.00 C ATOM 1061 CG TYR B 15 98.529 -21.439 37.332 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.881 -21.080 37.370 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.043 -22.222 36.280 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.746 -21.504 36.355 1.00 0.00 C ATOM 1065 CE2 TYR B 15 98.908 -22.648 35.265 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.261 -22.288 35.302 1.00 0.00 C ATOM 1067 OH TYR B 15 101.116 -22.705 34.303 1.00 0.00 O ATOM 0 H TYR B 15 96.626 -23.335 38.358 1.00 0.00 H new ATOM 0 HA TYR B 15 98.720 -22.001 39.968 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.575 -20.941 38.060 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.864 -19.980 38.756 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.257 -20.476 38.183 1.00 0.00 H new ATOM 0 HD2 TYR B 15 96.999 -22.498 36.251 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.789 -21.226 36.384 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.532 -23.254 34.454 1.00 0.00 H new ATOM 0 HH TYR B 15 100.619 -23.241 33.650 1.00 0.00 H new ATOM 1077 N HIS B 16 95.616 -22.070 40.852 1.00 0.00 N ATOM 1078 CA HIS B 16 94.686 -21.664 41.944 1.00 0.00 C ATOM 1079 C HIS B 16 94.345 -20.173 41.818 1.00 0.00 C ATOM 1080 O HIS B 16 94.078 -19.677 40.742 1.00 0.00 O ATOM 1081 CB HIS B 16 95.347 -21.931 43.301 1.00 0.00 C ATOM 1082 CG HIS B 16 96.061 -23.255 43.261 1.00 0.00 C ATOM 1083 ND1 HIS B 16 95.382 -24.465 43.199 1.00 0.00 N ATOM 1084 CD2 HIS B 16 97.397 -23.575 43.271 1.00 0.00 C ATOM 1085 CE1 HIS B 16 96.304 -25.446 43.176 1.00 0.00 C ATOM 1086 NE2 HIS B 16 97.543 -24.955 43.217 1.00 0.00 N ATOM 0 H HIS B 16 95.268 -22.807 40.239 1.00 0.00 H new ATOM 0 HA HIS B 16 93.766 -22.244 41.866 1.00 0.00 H new ATOM 0 HB2 HIS B 16 96.051 -21.133 43.537 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.594 -21.936 44.089 1.00 0.00 H new ATOM 0 HD2 HIS B 16 98.208 -22.863 43.314 1.00 0.00 H new ATOM 0 HE1 HIS B 16 96.069 -26.499 43.130 1.00 0.00 H new ATOM 0 HE2 HIS B 16 98.416 -25.483 43.210 1.00 0.00 H new ATOM 1095 N SER B 17 94.341 -19.460 42.916 1.00 0.00 N ATOM 1096 CA SER B 17 94.004 -18.005 42.872 1.00 0.00 C ATOM 1097 C SER B 17 95.253 -17.174 42.561 1.00 0.00 C ATOM 1098 O SER B 17 95.181 -15.968 42.433 1.00 0.00 O ATOM 1099 CB SER B 17 93.437 -17.572 44.226 1.00 0.00 C ATOM 1100 OG SER B 17 92.247 -18.303 44.493 1.00 0.00 O ATOM 0 H SER B 17 94.557 -19.824 43.844 1.00 0.00 H new ATOM 0 HA SER B 17 93.265 -17.841 42.088 1.00 0.00 H new ATOM 0 HB2 SER B 17 94.170 -17.748 45.013 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.227 -16.502 44.220 1.00 0.00 H new ATOM 0 HG SER B 17 91.882 -18.029 45.360 1.00 0.00 H new ATOM 1106 N ASN B 18 96.395 -17.793 42.440 1.00 0.00 N ATOM 1107 CA ASN B 18 97.629 -17.008 42.139 1.00 0.00 C ATOM 1108 C ASN B 18 97.689 -16.702 40.644 1.00 0.00 C ATOM 1109 O ASN B 18 98.357 -17.384 39.891 1.00 0.00 O ATOM 1110 CB ASN B 18 98.867 -17.817 42.528 1.00 0.00 C ATOM 1111 CG ASN B 18 98.974 -17.904 44.051 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.399 -17.102 44.760 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.697 -18.850 44.585 1.00 0.00 N ATOM 0 H ASN B 18 96.529 -18.800 42.535 1.00 0.00 H new ATOM 0 HA ASN B 18 97.605 -16.079 42.708 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.807 -18.818 42.101 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.762 -17.349 42.118 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.780 -18.917 45.599 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.179 -19.522 43.988 1.00 0.00 H new ATOM 1120 N TRP B 19 97.007 -15.681 40.202 1.00 0.00 N ATOM 1121 CA TRP B 19 97.049 -15.351 38.752 1.00 0.00 C ATOM 1122 C TRP B 19 98.430 -14.794 38.405 1.00 0.00 C ATOM 1123 O TRP B 19 98.833 -14.777 37.260 1.00 0.00 O ATOM 1124 CB TRP B 19 95.957 -14.328 38.404 1.00 0.00 C ATOM 1125 CG TRP B 19 96.169 -13.047 39.151 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.678 -12.773 40.381 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.901 -11.857 38.730 1.00 0.00 C ATOM 1128 NE1 TRP B 19 96.063 -11.495 40.744 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.819 -10.889 39.761 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.621 -11.526 37.567 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.430 -9.639 39.642 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 98.239 -10.271 37.445 1.00 0.00 C ATOM 1133 CH2 TRP B 19 98.145 -9.330 38.479 1.00 0.00 C ATOM 0 H TRP B 19 96.429 -15.068 40.776 1.00 0.00 H new ATOM 0 HA TRP B 19 96.866 -16.254 38.170 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.963 -14.134 37.331 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.977 -14.738 38.648 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.082 -13.443 40.982 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.818 -11.054 41.630 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.699 -12.242 36.763 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.352 -8.916 40.441 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.790 -10.029 36.548 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.624 -8.367 38.379 1.00 0.00 H new ATOM 1144 N ARG B 20 99.165 -14.340 39.390 1.00 0.00 N ATOM 1145 CA ARG B 20 100.525 -13.791 39.112 1.00 0.00 C ATOM 1146 C ARG B 20 101.397 -14.880 38.487 1.00 0.00 C ATOM 1147 O ARG B 20 102.062 -14.664 37.495 1.00 0.00 O ATOM 1148 CB ARG B 20 101.184 -13.334 40.420 1.00 0.00 C ATOM 1149 CG ARG B 20 100.245 -12.407 41.206 1.00 0.00 C ATOM 1150 CD ARG B 20 99.994 -11.105 40.436 1.00 0.00 C ATOM 1151 NE ARG B 20 101.278 -10.523 39.922 1.00 0.00 N ATOM 1152 CZ ARG B 20 102.290 -10.267 40.711 1.00 0.00 C ATOM 1153 NH1 ARG B 20 102.161 -10.332 42.008 1.00 0.00 N ATOM 1154 NH2 ARG B 20 103.424 -9.876 40.195 1.00 0.00 N ATOM 0 H ARG B 20 98.882 -14.326 40.370 1.00 0.00 H new ATOM 0 HA ARG B 20 100.429 -12.945 38.431 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.438 -14.202 41.028 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.117 -12.814 40.201 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.298 -12.914 41.391 1.00 0.00 H new ATOM 0 HG3 ARG B 20 100.681 -12.181 42.179 1.00 0.00 H new ATOM 0 HD2 ARG B 20 99.319 -11.297 39.602 1.00 0.00 H new ATOM 0 HD3 ARG B 20 99.500 -10.384 41.087 1.00 0.00 H new ATOM 0 HE ARG B 20 101.365 -10.321 38.926 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.262 -10.585 42.419 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.959 -10.130 42.611 1.00 0.00 H new ATOM 0 HH21 ARG B 20 103.516 -9.772 39.184 1.00 0.00 H new ATOM 0 HH22 ARG B 20 104.218 -9.674 40.803 1.00 0.00 H new ATOM 1168 N ALA B 21 101.406 -16.047 39.068 1.00 0.00 N ATOM 1169 CA ALA B 21 102.245 -17.143 38.512 1.00 0.00 C ATOM 1170 C ALA B 21 101.753 -17.491 37.110 1.00 0.00 C ATOM 1171 O ALA B 21 102.530 -17.706 36.202 1.00 0.00 O ATOM 1172 CB ALA B 21 102.138 -18.378 39.411 1.00 0.00 C ATOM 0 H ALA B 21 100.870 -16.288 39.902 1.00 0.00 H new ATOM 0 HA ALA B 21 103.285 -16.819 38.466 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.753 -19.180 39.002 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.485 -18.129 40.414 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.099 -18.705 39.458 1.00 0.00 H new ATOM 1178 N MET B 22 100.466 -17.542 36.922 1.00 0.00 N ATOM 1179 CA MET B 22 99.927 -17.869 35.576 1.00 0.00 C ATOM 1180 C MET B 22 100.368 -16.803 34.569 1.00 0.00 C ATOM 1181 O MET B 22 100.823 -17.109 33.487 1.00 0.00 O ATOM 1182 CB MET B 22 98.401 -17.921 35.646 1.00 0.00 C ATOM 1183 CG MET B 22 97.832 -18.299 34.277 1.00 0.00 C ATOM 1184 SD MET B 22 96.076 -18.707 34.447 1.00 0.00 S ATOM 1185 CE MET B 22 95.538 -17.142 35.178 1.00 0.00 C ATOM 0 H MET B 22 99.764 -17.371 37.642 1.00 0.00 H new ATOM 0 HA MET B 22 100.309 -18.838 35.253 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.087 -18.649 36.394 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.009 -16.953 35.958 1.00 0.00 H new ATOM 0 HG2 MET B 22 97.959 -17.473 33.578 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.376 -19.150 33.867 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.469 -17.012 35.012 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.741 -17.152 36.249 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.080 -16.318 34.714 1.00 0.00 H new ATOM 1195 N ALA B 23 100.241 -15.548 34.912 1.00 0.00 N ATOM 1196 CA ALA B 23 100.654 -14.477 33.959 1.00 0.00 C ATOM 1197 C ALA B 23 102.141 -14.624 33.621 1.00 0.00 C ATOM 1198 O ALA B 23 102.547 -14.478 32.485 1.00 0.00 O ATOM 1199 CB ALA B 23 100.412 -13.106 34.594 1.00 0.00 C ATOM 0 H ALA B 23 99.872 -15.220 35.805 1.00 0.00 H new ATOM 0 HA ALA B 23 100.067 -14.567 33.045 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.714 -12.324 33.897 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.353 -12.995 34.827 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.996 -13.021 35.510 1.00 0.00 H new ATOM 1205 N SER B 24 102.959 -14.900 34.600 1.00 0.00 N ATOM 1206 CA SER B 24 104.420 -15.041 34.334 1.00 0.00 C ATOM 1207 C SER B 24 104.685 -16.244 33.425 1.00 0.00 C ATOM 1208 O SER B 24 105.525 -16.194 32.547 1.00 0.00 O ATOM 1209 CB SER B 24 105.162 -15.229 35.659 1.00 0.00 C ATOM 1210 OG SER B 24 105.088 -14.025 36.413 1.00 0.00 O ATOM 0 H SER B 24 102.680 -15.034 35.572 1.00 0.00 H new ATOM 0 HA SER B 24 104.776 -14.140 33.835 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.722 -16.052 36.222 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.203 -15.491 35.472 1.00 0.00 H new ATOM 0 HG SER B 24 104.212 -13.966 36.849 1.00 0.00 H new ATOM 1216 N ASP B 25 103.990 -17.331 33.630 1.00 0.00 N ATOM 1217 CA ASP B 25 104.227 -18.533 32.775 1.00 0.00 C ATOM 1218 C ASP B 25 103.720 -18.288 31.352 1.00 0.00 C ATOM 1219 O ASP B 25 104.355 -18.668 30.389 1.00 0.00 O ATOM 1220 CB ASP B 25 103.498 -19.734 33.373 1.00 0.00 C ATOM 1221 CG ASP B 25 104.215 -20.179 34.649 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.313 -20.699 34.535 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.662 -19.983 35.716 1.00 0.00 O ATOM 0 H ASP B 25 103.273 -17.440 34.347 1.00 0.00 H new ATOM 0 HA ASP B 25 105.298 -18.730 32.737 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.464 -19.472 33.596 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.471 -20.552 32.653 1.00 0.00 H new ATOM 1228 N PHE B 26 102.593 -17.644 31.204 1.00 0.00 N ATOM 1229 CA PHE B 26 102.067 -17.369 29.830 1.00 0.00 C ATOM 1230 C PHE B 26 102.559 -15.993 29.377 1.00 0.00 C ATOM 1231 O PHE B 26 102.292 -15.557 28.274 1.00 0.00 O ATOM 1232 CB PHE B 26 100.534 -17.387 29.827 1.00 0.00 C ATOM 1233 CG PHE B 26 100.024 -18.807 29.965 1.00 0.00 C ATOM 1234 CD1 PHE B 26 99.806 -19.583 28.820 1.00 0.00 C ATOM 1235 CD2 PHE B 26 99.766 -19.347 31.232 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.333 -20.895 28.940 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.292 -20.659 31.352 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.076 -21.433 30.206 1.00 0.00 C ATOM 0 H PHE B 26 102.015 -17.297 31.969 1.00 0.00 H new ATOM 0 HA PHE B 26 102.426 -18.141 29.150 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.155 -16.776 30.646 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.160 -16.947 28.902 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.003 -19.168 27.842 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.933 -18.751 32.117 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.166 -21.492 28.056 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.093 -21.074 32.329 1.00 0.00 H new ATOM 0 HZ PHE B 26 98.711 -22.445 30.299 1.00 0.00 H new ATOM 1248 N ASN B 27 103.288 -15.313 30.219 1.00 0.00 N ATOM 1249 CA ASN B 27 103.817 -13.970 29.844 1.00 0.00 C ATOM 1250 C ASN B 27 102.684 -13.086 29.314 1.00 0.00 C ATOM 1251 O ASN B 27 102.804 -12.472 28.273 1.00 0.00 O ATOM 1252 CB ASN B 27 104.888 -14.134 28.765 1.00 0.00 C ATOM 1253 CG ASN B 27 106.083 -14.889 29.351 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.531 -14.560 30.533 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 106.610 -15.790 28.731 1.00 0.00 N flip ATOM 0 H ASN B 27 103.541 -15.631 31.155 1.00 0.00 H new ATOM 0 HA ASN B 27 104.251 -13.496 30.725 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.482 -14.678 27.912 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.204 -13.157 28.398 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.260 -16.047 27.808 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.403 -16.290 29.133 1.00 0.00 H new ATOM 1262 N LEU B 28 101.589 -13.013 30.032 1.00 0.00 N ATOM 1263 CA LEU B 28 100.432 -12.163 29.591 1.00 0.00 C ATOM 1264 C LEU B 28 100.203 -11.054 30.629 1.00 0.00 C ATOM 1265 O LEU B 28 100.495 -11.232 31.794 1.00 0.00 O ATOM 1266 CB LEU B 28 99.172 -13.030 29.519 1.00 0.00 C ATOM 1267 CG LEU B 28 99.229 -13.967 28.296 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.267 -15.145 28.500 1.00 0.00 C ATOM 1269 CD2 LEU B 28 98.813 -13.207 27.023 1.00 0.00 C ATOM 0 H LEU B 28 101.444 -13.509 30.912 1.00 0.00 H new ATOM 0 HA LEU B 28 100.645 -11.729 28.614 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.076 -13.619 30.431 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.289 -12.394 29.456 1.00 0.00 H new ATOM 0 HG LEU B 28 100.250 -14.332 28.187 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.311 -15.805 27.633 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.555 -15.700 29.393 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.251 -14.769 28.619 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.858 -13.880 26.167 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.796 -12.833 27.138 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.491 -12.369 26.862 1.00 0.00 H new ATOM 1281 N PRO B 29 99.677 -9.919 30.223 1.00 0.00 N ATOM 1282 CA PRO B 29 99.409 -8.790 31.162 1.00 0.00 C ATOM 1283 C PRO B 29 98.180 -9.068 32.055 1.00 0.00 C ATOM 1284 O PRO B 29 97.287 -9.794 31.667 1.00 0.00 O ATOM 1285 CB PRO B 29 99.148 -7.605 30.224 1.00 0.00 C ATOM 1286 CG PRO B 29 98.581 -8.225 28.990 1.00 0.00 C ATOM 1287 CD PRO B 29 99.282 -9.579 28.842 1.00 0.00 C ATOM 0 HA PRO B 29 100.232 -8.619 31.855 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.451 -6.894 30.667 1.00 0.00 H new ATOM 0 HB3 PRO B 29 100.067 -7.059 30.008 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.502 -8.351 29.076 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.760 -7.595 28.119 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.616 -10.331 28.419 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.147 -9.512 28.183 1.00 0.00 H new ATOM 1295 N PRO B 30 98.129 -8.498 33.239 1.00 0.00 N ATOM 1296 CA PRO B 30 96.986 -8.699 34.178 1.00 0.00 C ATOM 1297 C PRO B 30 95.614 -8.690 33.482 1.00 0.00 C ATOM 1298 O PRO B 30 94.660 -9.260 33.973 1.00 0.00 O ATOM 1299 CB PRO B 30 97.101 -7.507 35.138 1.00 0.00 C ATOM 1300 CG PRO B 30 98.559 -7.158 35.166 1.00 0.00 C ATOM 1301 CD PRO B 30 99.152 -7.603 33.817 1.00 0.00 C ATOM 0 HA PRO B 30 97.040 -9.674 34.663 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.502 -6.665 34.792 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.740 -7.768 36.133 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.697 -6.087 35.314 1.00 0.00 H new ATOM 0 HG3 PRO B 30 99.061 -7.661 35.993 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.345 -6.749 33.167 1.00 0.00 H new ATOM 0 HD3 PRO B 30 100.101 -8.121 33.953 1.00 0.00 H new ATOM 1309 N VAL B 31 95.494 -8.027 32.362 1.00 0.00 N ATOM 1310 CA VAL B 31 94.167 -7.970 31.677 1.00 0.00 C ATOM 1311 C VAL B 31 93.695 -9.380 31.315 1.00 0.00 C ATOM 1312 O VAL B 31 92.577 -9.758 31.601 1.00 0.00 O ATOM 1313 CB VAL B 31 94.287 -7.132 30.394 1.00 0.00 C ATOM 1314 CG1 VAL B 31 93.010 -7.264 29.548 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.493 -5.663 30.771 1.00 0.00 C ATOM 0 H VAL B 31 96.250 -7.526 31.894 1.00 0.00 H new ATOM 0 HA VAL B 31 93.443 -7.514 32.352 1.00 0.00 H new ATOM 0 HB VAL B 31 95.135 -7.492 29.812 1.00 0.00 H new ATOM 0 HG11 VAL B 31 93.110 -6.665 28.643 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.859 -8.309 29.277 1.00 0.00 H new ATOM 0 HG13 VAL B 31 92.154 -6.912 30.124 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.579 -5.063 29.865 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.642 -5.315 31.357 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.405 -5.563 31.360 1.00 0.00 H new ATOM 1325 N VAL B 32 94.527 -10.158 30.684 1.00 0.00 N ATOM 1326 CA VAL B 32 94.103 -11.534 30.306 1.00 0.00 C ATOM 1327 C VAL B 32 94.081 -12.426 31.545 1.00 0.00 C ATOM 1328 O VAL B 32 93.184 -13.223 31.733 1.00 0.00 O ATOM 1329 CB VAL B 32 95.079 -12.108 29.289 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.647 -13.525 28.914 1.00 0.00 C ATOM 1331 CG2 VAL B 32 95.101 -11.226 28.036 1.00 0.00 C ATOM 0 H VAL B 32 95.477 -9.903 30.415 1.00 0.00 H new ATOM 0 HA VAL B 32 93.104 -11.493 29.871 1.00 0.00 H new ATOM 0 HB VAL B 32 96.079 -12.136 29.723 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.345 -13.937 28.186 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.641 -14.152 29.806 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.646 -13.498 28.483 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.801 -11.641 27.311 1.00 0.00 H new ATOM 0 HG22 VAL B 32 94.103 -11.191 27.598 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.414 -10.218 28.306 1.00 0.00 H new ATOM 1341 N ALA B 33 95.067 -12.304 32.391 1.00 0.00 N ATOM 1342 CA ALA B 33 95.100 -13.152 33.614 1.00 0.00 C ATOM 1343 C ALA B 33 93.849 -12.870 34.443 1.00 0.00 C ATOM 1344 O ALA B 33 93.161 -13.772 34.872 1.00 0.00 O ATOM 1345 CB ALA B 33 96.354 -12.830 34.429 1.00 0.00 C ATOM 0 H ALA B 33 95.848 -11.656 32.288 1.00 0.00 H new ATOM 0 HA ALA B 33 95.124 -14.206 33.337 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.376 -13.452 35.324 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.240 -13.029 33.827 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.340 -11.779 34.718 1.00 0.00 H new ATOM 1351 N LYS B 34 93.535 -11.623 34.650 1.00 0.00 N ATOM 1352 CA LYS B 34 92.311 -11.283 35.428 1.00 0.00 C ATOM 1353 C LYS B 34 91.093 -11.868 34.714 1.00 0.00 C ATOM 1354 O LYS B 34 90.175 -12.367 35.333 1.00 0.00 O ATOM 1355 CB LYS B 34 92.161 -9.757 35.505 1.00 0.00 C ATOM 1356 CG LYS B 34 93.232 -9.144 36.422 1.00 0.00 C ATOM 1357 CD LYS B 34 92.822 -9.284 37.897 1.00 0.00 C ATOM 1358 CE LYS B 34 93.764 -8.453 38.770 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.599 -7.006 38.447 1.00 0.00 N ATOM 0 H LYS B 34 94.072 -10.824 34.314 1.00 0.00 H new ATOM 0 HA LYS B 34 92.389 -11.693 36.435 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.244 -9.329 34.506 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.169 -9.504 35.879 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.188 -9.640 36.256 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.371 -8.091 36.175 1.00 0.00 H new ATOM 0 HD2 LYS B 34 91.794 -8.950 38.033 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.859 -10.331 38.198 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.548 -8.628 39.824 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.797 -8.758 38.601 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.479 -6.465 39.327 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.442 -6.664 37.943 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.760 -6.878 37.845 1.00 0.00 H new ATOM 1373 N GLU B 35 91.076 -11.796 33.413 1.00 0.00 N ATOM 1374 CA GLU B 35 89.915 -12.331 32.650 1.00 0.00 C ATOM 1375 C GLU B 35 89.803 -13.845 32.838 1.00 0.00 C ATOM 1376 O GLU B 35 88.722 -14.377 32.987 1.00 0.00 O ATOM 1377 CB GLU B 35 90.110 -12.029 31.167 1.00 0.00 C ATOM 1378 CG GLU B 35 88.836 -12.386 30.390 1.00 0.00 C ATOM 1379 CD GLU B 35 88.768 -13.900 30.149 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.797 -14.548 30.245 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.683 -14.385 29.874 1.00 0.00 O ATOM 0 H GLU B 35 91.818 -11.389 32.844 1.00 0.00 H new ATOM 0 HA GLU B 35 89.004 -11.859 33.017 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.347 -10.974 31.030 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.955 -12.598 30.779 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.958 -12.059 30.947 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.823 -11.858 29.437 1.00 0.00 H new ATOM 1388 N ILE B 36 90.903 -14.547 32.837 1.00 0.00 N ATOM 1389 CA ILE B 36 90.829 -16.021 33.021 1.00 0.00 C ATOM 1390 C ILE B 36 90.203 -16.303 34.386 1.00 0.00 C ATOM 1391 O ILE B 36 89.345 -17.151 34.527 1.00 0.00 O ATOM 1392 CB ILE B 36 92.234 -16.621 32.939 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.744 -16.513 31.500 1.00 0.00 C ATOM 1394 CG2 ILE B 36 92.191 -18.096 33.349 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.236 -16.846 31.458 1.00 0.00 C ATOM 0 H ILE B 36 91.842 -14.166 32.718 1.00 0.00 H new ATOM 0 HA ILE B 36 90.219 -16.473 32.239 1.00 0.00 H new ATOM 0 HB ILE B 36 92.899 -16.078 33.610 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.190 -17.196 30.855 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.575 -15.506 31.118 1.00 0.00 H new ATOM 0 HG21 ILE B 36 93.194 -18.520 33.289 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.822 -18.179 34.371 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.526 -18.641 32.678 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.597 -16.769 30.433 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.783 -16.146 32.089 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.393 -17.861 31.822 1.00 0.00 H new ATOM 1407 N VAL B 37 90.603 -15.568 35.389 1.00 0.00 N ATOM 1408 CA VAL B 37 90.004 -15.763 36.736 1.00 0.00 C ATOM 1409 C VAL B 37 88.533 -15.369 36.637 1.00 0.00 C ATOM 1410 O VAL B 37 87.658 -15.996 37.202 1.00 0.00 O ATOM 1411 CB VAL B 37 90.709 -14.840 37.738 1.00 0.00 C ATOM 1412 CG1 VAL B 37 90.185 -15.102 39.148 1.00 0.00 C ATOM 1413 CG2 VAL B 37 92.217 -15.100 37.709 1.00 0.00 C ATOM 0 H VAL B 37 91.318 -14.843 35.332 1.00 0.00 H new ATOM 0 HA VAL B 37 90.110 -16.796 37.067 1.00 0.00 H new ATOM 0 HB VAL B 37 90.509 -13.805 37.462 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.691 -14.442 39.853 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.112 -14.911 39.179 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.377 -16.140 39.421 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.713 -14.442 38.422 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.412 -16.138 37.976 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.601 -14.905 36.708 1.00 0.00 H new ATOM 1423 N ALA B 38 88.271 -14.318 35.913 1.00 0.00 N ATOM 1424 CA ALA B 38 86.879 -13.827 35.741 1.00 0.00 C ATOM 1425 C ALA B 38 86.011 -14.890 35.066 1.00 0.00 C ATOM 1426 O ALA B 38 84.808 -14.918 35.237 1.00 0.00 O ATOM 1427 CB ALA B 38 86.901 -12.574 34.872 1.00 0.00 C ATOM 0 H ALA B 38 88.978 -13.769 35.424 1.00 0.00 H new ATOM 0 HA ALA B 38 86.459 -13.604 36.722 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.884 -12.205 34.739 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.505 -11.806 35.356 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.330 -12.814 33.899 1.00 0.00 H new ATOM 1433 N SER B 39 86.599 -15.752 34.278 1.00 0.00 N ATOM 1434 CA SER B 39 85.786 -16.790 33.577 1.00 0.00 C ATOM 1435 C SER B 39 85.652 -18.020 34.471 1.00 0.00 C ATOM 1436 O SER B 39 84.616 -18.654 34.513 1.00 0.00 O ATOM 1437 CB SER B 39 86.482 -17.182 32.274 1.00 0.00 C ATOM 1438 OG SER B 39 86.713 -16.014 31.497 1.00 0.00 O ATOM 0 H SER B 39 87.601 -15.783 34.090 1.00 0.00 H new ATOM 0 HA SER B 39 84.796 -16.391 33.357 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.426 -17.683 32.489 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.866 -17.888 31.717 1.00 0.00 H new ATOM 0 HG SER B 39 87.442 -16.181 30.864 1.00 0.00 H new ATOM 1444 N CYS B 40 86.677 -18.356 35.199 1.00 0.00 N ATOM 1445 CA CYS B 40 86.579 -19.536 36.098 1.00 0.00 C ATOM 1446 C CYS B 40 85.419 -19.311 37.068 1.00 0.00 C ATOM 1447 O CYS B 40 85.313 -18.271 37.685 1.00 0.00 O ATOM 1448 CB CYS B 40 87.884 -19.695 36.880 1.00 0.00 C ATOM 1449 SG CYS B 40 87.956 -21.354 37.597 1.00 0.00 S ATOM 0 H CYS B 40 87.573 -17.869 35.211 1.00 0.00 H new ATOM 0 HA CYS B 40 86.406 -20.440 35.514 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.737 -19.534 36.221 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.943 -18.944 37.667 1.00 0.00 H new ATOM 1454 N ASP B 41 84.539 -20.265 37.198 1.00 0.00 N ATOM 1455 CA ASP B 41 83.380 -20.082 38.117 1.00 0.00 C ATOM 1456 C ASP B 41 83.824 -20.272 39.569 1.00 0.00 C ATOM 1457 O ASP B 41 83.232 -19.731 40.481 1.00 0.00 O ATOM 1458 CB ASP B 41 82.303 -21.117 37.791 1.00 0.00 C ATOM 1459 CG ASP B 41 81.686 -20.809 36.426 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.820 -19.683 35.976 1.00 0.00 O ATOM 1461 OD2 ASP B 41 81.086 -21.705 35.854 1.00 0.00 O ATOM 0 H ASP B 41 84.572 -21.160 36.710 1.00 0.00 H new ATOM 0 HA ASP B 41 82.984 -19.075 37.987 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.736 -22.117 37.787 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.531 -21.107 38.560 1.00 0.00 H new ATOM 1466 N LYS B 42 84.848 -21.048 39.797 1.00 0.00 N ATOM 1467 CA LYS B 42 85.301 -21.277 41.198 1.00 0.00 C ATOM 1468 C LYS B 42 85.975 -20.018 41.745 1.00 0.00 C ATOM 1469 O LYS B 42 85.794 -19.653 42.890 1.00 0.00 O ATOM 1470 CB LYS B 42 86.301 -22.434 41.223 1.00 0.00 C ATOM 1471 CG LYS B 42 85.579 -23.736 40.878 1.00 0.00 C ATOM 1472 CD LYS B 42 86.574 -24.896 40.901 1.00 0.00 C ATOM 1473 CE LYS B 42 85.842 -26.193 40.554 1.00 0.00 C ATOM 1474 NZ LYS B 42 86.834 -27.281 40.331 1.00 0.00 N ATOM 0 H LYS B 42 85.388 -21.531 39.079 1.00 0.00 H new ATOM 0 HA LYS B 42 84.437 -21.518 41.817 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.104 -22.251 40.509 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.761 -22.510 42.208 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.776 -23.918 41.592 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.118 -23.658 39.893 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.378 -24.716 40.187 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.034 -24.976 41.886 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.162 -26.466 41.361 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.235 -26.052 39.660 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 86.515 -27.887 39.548 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 87.757 -26.866 40.093 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 86.924 -27.852 41.196 1.00 0.00 H new ATOM 1488 N CYS B 43 86.755 -19.352 40.940 1.00 0.00 N ATOM 1489 CA CYS B 43 87.445 -18.117 41.414 1.00 0.00 C ATOM 1490 C CYS B 43 86.535 -16.903 41.218 1.00 0.00 C ATOM 1491 O CYS B 43 86.909 -15.784 41.512 1.00 0.00 O ATOM 1492 CB CYS B 43 88.745 -17.920 40.638 1.00 0.00 C ATOM 1493 SG CYS B 43 89.777 -19.400 40.804 1.00 0.00 S ATOM 0 H CYS B 43 86.946 -19.609 39.972 1.00 0.00 H new ATOM 0 HA CYS B 43 87.674 -18.222 42.474 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.528 -17.731 39.587 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.278 -17.048 41.016 1.00 0.00 H new ATOM 1498 N GLN B 44 85.347 -17.107 40.715 1.00 0.00 N ATOM 1499 CA GLN B 44 84.429 -15.952 40.497 1.00 0.00 C ATOM 1500 C GLN B 44 83.793 -15.541 41.825 1.00 0.00 C ATOM 1501 O GLN B 44 84.091 -14.495 42.366 1.00 0.00 O ATOM 1502 CB GLN B 44 83.325 -16.349 39.509 1.00 0.00 C ATOM 1503 CG GLN B 44 82.499 -15.114 39.126 1.00 0.00 C ATOM 1504 CD GLN B 44 83.378 -14.107 38.373 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.375 -12.852 38.740 1.00 0.00 O flip ATOM 1506 NE2 GLN B 44 84.073 -14.464 37.443 1.00 0.00 N flip ATOM 0 H GLN B 44 84.974 -18.018 40.447 1.00 0.00 H new ATOM 0 HA GLN B 44 84.998 -15.116 40.091 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.766 -16.794 38.617 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.679 -17.105 39.956 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.655 -15.410 38.503 1.00 0.00 H new ATOM 0 HG3 GLN B 44 82.086 -14.650 40.022 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.077 -15.443 37.155 1.00 0.00 H new ATOM 0 HE22 GLN B 44 84.653 -13.785 36.950 1.00 0.00 H new ATOM 1515 N LEU B 45 82.920 -16.351 42.356 1.00 0.00 N ATOM 1516 CA LEU B 45 82.269 -15.993 43.651 1.00 0.00 C ATOM 1517 C LEU B 45 83.185 -16.387 44.810 1.00 0.00 C ATOM 1518 O LEU B 45 83.655 -17.504 44.888 1.00 0.00 O ATOM 1519 CB LEU B 45 80.943 -16.748 43.786 1.00 0.00 C ATOM 1520 CG LEU B 45 80.081 -16.518 42.543 1.00 0.00 C ATOM 1521 CD1 LEU B 45 78.759 -17.274 42.700 1.00 0.00 C ATOM 1522 CD2 LEU B 45 79.801 -15.017 42.368 1.00 0.00 C ATOM 0 H LEU B 45 82.629 -17.242 41.953 1.00 0.00 H new ATOM 0 HA LEU B 45 82.085 -14.919 43.674 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.133 -17.814 43.915 1.00 0.00 H new ATOM 0 HB3 LEU B 45 80.411 -16.409 44.675 1.00 0.00 H new ATOM 0 HG LEU B 45 80.611 -16.883 41.663 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.141 -17.113 41.817 1.00 0.00 H new ATOM 0 HD12 LEU B 45 78.960 -18.339 42.813 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.233 -16.908 43.582 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.187 -14.862 41.481 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.274 -14.641 43.245 1.00 0.00 H new ATOM 0 HD23 LEU B 45 80.744 -14.482 42.254 1.00 0.00 H new ATOM 1534 N LYS B 46 83.434 -15.484 45.720 1.00 0.00 N ATOM 1535 CA LYS B 46 84.311 -15.820 46.877 1.00 0.00 C ATOM 1536 C LYS B 46 83.506 -16.612 47.908 1.00 0.00 C ATOM 1537 O LYS B 46 82.292 -16.577 47.922 1.00 0.00 O ATOM 1538 CB LYS B 46 84.845 -14.538 47.521 1.00 0.00 C ATOM 1539 CG LYS B 46 85.852 -13.871 46.581 1.00 0.00 C ATOM 1540 CD LYS B 46 86.380 -12.591 47.231 1.00 0.00 C ATOM 1541 CE LYS B 46 87.390 -11.924 46.296 1.00 0.00 C ATOM 1542 NZ LYS B 46 86.756 -11.672 44.973 1.00 0.00 N ATOM 0 H LYS B 46 83.069 -14.532 45.712 1.00 0.00 H new ATOM 0 HA LYS B 46 85.152 -16.418 46.527 1.00 0.00 H new ATOM 0 HB2 LYS B 46 84.022 -13.855 47.732 1.00 0.00 H new ATOM 0 HB3 LYS B 46 85.320 -14.769 48.474 1.00 0.00 H new ATOM 0 HG2 LYS B 46 86.676 -14.552 46.370 1.00 0.00 H new ATOM 0 HG3 LYS B 46 85.378 -13.639 45.627 1.00 0.00 H new ATOM 0 HD2 LYS B 46 85.555 -11.909 47.439 1.00 0.00 H new ATOM 0 HD3 LYS B 46 86.851 -12.823 48.186 1.00 0.00 H new ATOM 0 HE2 LYS B 46 87.737 -10.986 46.729 1.00 0.00 H new ATOM 0 HE3 LYS B 46 88.265 -12.562 46.175 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 87.273 -10.917 44.479 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 86.785 -12.541 44.403 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 85.767 -11.381 45.112 1.00 0.00 H new ATOM 1556 N GLY B 47 84.175 -17.329 48.770 1.00 0.00 N ATOM 1557 CA GLY B 47 83.451 -18.130 49.799 1.00 0.00 C ATOM 1558 C GLY B 47 82.624 -17.205 50.696 1.00 0.00 C ATOM 1559 O GLY B 47 81.992 -17.643 51.636 1.00 0.00 O ATOM 0 H GLY B 47 85.192 -17.395 48.806 1.00 0.00 H new ATOM 0 HA2 GLY B 47 82.800 -18.857 49.314 1.00 0.00 H new ATOM 0 HA3 GLY B 47 84.164 -18.693 50.402 1.00 0.00 H new ATOM 1563 N GLU B 48 82.615 -15.929 50.413 1.00 0.00 N ATOM 1564 CA GLU B 48 81.820 -14.985 51.252 1.00 0.00 C ATOM 1565 C GLU B 48 80.364 -14.997 50.785 1.00 0.00 C ATOM 1566 O GLU B 48 80.079 -15.180 49.618 1.00 0.00 O ATOM 1567 CB GLU B 48 82.383 -13.571 51.104 1.00 0.00 C ATOM 1568 CG GLU B 48 83.750 -13.490 51.785 1.00 0.00 C ATOM 1569 CD GLU B 48 84.311 -12.075 51.636 1.00 0.00 C ATOM 1570 OE1 GLU B 48 83.723 -11.301 50.898 1.00 0.00 O ATOM 1571 OE2 GLU B 48 85.316 -11.788 52.265 1.00 0.00 O ATOM 0 H GLU B 48 83.123 -15.501 49.639 1.00 0.00 H new ATOM 0 HA GLU B 48 81.876 -15.293 52.296 1.00 0.00 H new ATOM 0 HB2 GLU B 48 82.475 -13.314 50.049 1.00 0.00 H new ATOM 0 HB3 GLU B 48 81.700 -12.848 51.550 1.00 0.00 H new ATOM 0 HG2 GLU B 48 83.658 -13.747 52.840 1.00 0.00 H new ATOM 0 HG3 GLU B 48 84.434 -14.213 51.339 1.00 0.00 H new ATOM 1578 N ALA B 49 79.437 -14.806 51.684 1.00 0.00 N ATOM 1579 CA ALA B 49 78.003 -14.812 51.281 1.00 0.00 C ATOM 1580 C ALA B 49 77.135 -14.315 52.436 1.00 0.00 C ATOM 1581 O ALA B 49 77.587 -14.189 53.557 1.00 0.00 O ATOM 1582 CB ALA B 49 77.586 -16.235 50.908 1.00 0.00 C ATOM 0 H ALA B 49 79.610 -14.647 52.676 1.00 0.00 H new ATOM 0 HA ALA B 49 77.869 -14.153 50.423 1.00 0.00 H new ATOM 0 HB1 ALA B 49 76.537 -16.241 50.613 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.198 -16.588 50.078 1.00 0.00 H new ATOM 0 HB3 ALA B 49 77.725 -16.892 51.767 1.00 0.00 H new ATOM 1588 N MET B 50 75.888 -14.032 52.164 1.00 0.00 N ATOM 1589 CA MET B 50 74.966 -13.542 53.231 1.00 0.00 C ATOM 1590 C MET B 50 75.421 -12.161 53.721 1.00 0.00 C ATOM 1591 O MET B 50 75.079 -11.736 54.805 1.00 0.00 O ATOM 1592 CB MET B 50 74.964 -14.533 54.409 1.00 0.00 C ATOM 1593 CG MET B 50 73.675 -14.377 55.225 1.00 0.00 C ATOM 1594 SD MET B 50 73.706 -15.526 56.625 1.00 0.00 S ATOM 1595 CE MET B 50 72.108 -15.075 57.355 1.00 0.00 C ATOM 0 H MET B 50 75.465 -14.120 51.240 1.00 0.00 H new ATOM 0 HA MET B 50 73.958 -13.463 52.823 1.00 0.00 H new ATOM 0 HB2 MET B 50 75.046 -15.554 54.036 1.00 0.00 H new ATOM 0 HB3 MET B 50 75.831 -14.355 55.046 1.00 0.00 H new ATOM 0 HG2 MET B 50 73.580 -13.352 55.584 1.00 0.00 H new ATOM 0 HG3 MET B 50 72.807 -14.576 54.596 1.00 0.00 H new ATOM 0 HE1 MET B 50 71.932 -15.678 58.246 1.00 0.00 H new ATOM 0 HE2 MET B 50 72.117 -14.020 57.628 1.00 0.00 H new ATOM 0 HE3 MET B 50 71.313 -15.256 56.631 1.00 0.00 H new ATOM 1605 N HIS B 51 76.186 -11.450 52.935 1.00 0.00 N ATOM 1606 CA HIS B 51 76.645 -10.098 53.377 1.00 0.00 C ATOM 1607 C HIS B 51 75.580 -9.057 53.031 1.00 0.00 C ATOM 1608 O HIS B 51 75.403 -8.693 51.886 1.00 0.00 O ATOM 1609 CB HIS B 51 77.952 -9.736 52.669 1.00 0.00 C ATOM 1610 CG HIS B 51 78.473 -8.437 53.224 1.00 0.00 C ATOM 1611 ND1 HIS B 51 78.728 -8.261 54.577 1.00 0.00 N ATOM 1612 CD2 HIS B 51 78.786 -7.241 52.624 1.00 0.00 C ATOM 1613 CE1 HIS B 51 79.173 -7.002 54.746 1.00 0.00 C ATOM 1614 NE2 HIS B 51 79.226 -6.340 53.589 1.00 0.00 N ATOM 0 H HIS B 51 76.511 -11.743 52.014 1.00 0.00 H new ATOM 0 HA HIS B 51 76.808 -10.112 54.455 1.00 0.00 H new ATOM 0 HB2 HIS B 51 78.688 -10.527 52.812 1.00 0.00 H new ATOM 0 HB3 HIS B 51 77.785 -9.646 51.596 1.00 0.00 H new ATOM 0 HD2 HIS B 51 78.703 -7.033 51.568 1.00 0.00 H new ATOM 0 HE1 HIS B 51 79.453 -6.580 55.700 1.00 0.00 H new ATOM 0 HE2 HIS B 51 79.526 -5.376 53.442 1.00 0.00 H new ATOM 1623 N GLY B 52 74.868 -8.573 54.018 1.00 0.00 N ATOM 1624 CA GLY B 52 73.809 -7.549 53.762 1.00 0.00 C ATOM 1625 C GLY B 52 72.581 -7.867 54.615 1.00 0.00 C ATOM 1626 O GLY B 52 71.667 -8.536 54.175 1.00 0.00 O ATOM 0 H GLY B 52 74.976 -8.845 54.995 1.00 0.00 H new ATOM 0 HA2 GLY B 52 74.184 -6.554 54.001 1.00 0.00 H new ATOM 0 HA3 GLY B 52 73.540 -7.543 52.706 1.00 0.00 H new ATOM 1630 N GLN B 53 72.548 -7.399 55.833 1.00 0.00 N ATOM 1631 CA GLN B 53 71.375 -7.684 56.705 1.00 0.00 C ATOM 1632 C GLN B 53 70.229 -6.738 56.339 1.00 0.00 C ATOM 1633 O GLN B 53 70.448 -5.626 55.898 1.00 0.00 O ATOM 1634 CB GLN B 53 71.765 -7.469 58.170 1.00 0.00 C ATOM 1635 CG GLN B 53 72.735 -8.568 58.608 1.00 0.00 C ATOM 1636 CD GLN B 53 73.200 -8.302 60.040 1.00 0.00 C ATOM 1637 OE1 GLN B 53 73.049 -7.209 60.548 1.00 0.00 O ATOM 1638 NE2 GLN B 53 73.770 -9.262 60.717 1.00 0.00 N ATOM 0 H GLN B 53 73.281 -6.833 56.260 1.00 0.00 H new ATOM 0 HA GLN B 53 71.056 -8.716 56.561 1.00 0.00 H new ATOM 0 HB2 GLN B 53 72.228 -6.490 58.294 1.00 0.00 H new ATOM 0 HB3 GLN B 53 70.875 -7.483 58.800 1.00 0.00 H new ATOM 0 HG2 GLN B 53 72.248 -9.541 58.548 1.00 0.00 H new ATOM 0 HG3 GLN B 53 73.593 -8.599 57.936 1.00 0.00 H new ATOM 0 HE21 GLN B 53 73.897 -10.180 60.291 1.00 0.00 H new ATOM 0 HE22 GLN B 53 74.088 -9.094 61.671 1.00 0.00 H new ATOM 1647 N VAL B 54 69.008 -7.167 56.524 1.00 0.00 N ATOM 1648 CA VAL B 54 67.841 -6.291 56.195 1.00 0.00 C ATOM 1649 C VAL B 54 67.435 -5.520 57.447 1.00 0.00 C ATOM 1650 O VAL B 54 67.464 -6.041 58.544 1.00 0.00 O ATOM 1651 CB VAL B 54 66.655 -7.141 55.727 1.00 0.00 C ATOM 1652 CG1 VAL B 54 66.961 -7.750 54.360 1.00 0.00 C ATOM 1653 CG2 VAL B 54 66.394 -8.259 56.738 1.00 0.00 C ATOM 0 H VAL B 54 68.767 -8.088 56.890 1.00 0.00 H new ATOM 0 HA VAL B 54 68.123 -5.603 55.398 1.00 0.00 H new ATOM 0 HB VAL B 54 65.771 -6.509 55.648 1.00 0.00 H new ATOM 0 HG11 VAL B 54 66.114 -8.353 54.033 1.00 0.00 H new ATOM 0 HG12 VAL B 54 67.139 -6.953 53.638 1.00 0.00 H new ATOM 0 HG13 VAL B 54 67.848 -8.379 54.432 1.00 0.00 H new ATOM 0 HG21 VAL B 54 65.550 -8.862 56.403 1.00 0.00 H new ATOM 0 HG22 VAL B 54 67.280 -8.889 56.821 1.00 0.00 H new ATOM 0 HG23 VAL B 54 66.166 -7.824 57.711 1.00 0.00 H new ATOM 1663 N ASP B 55 67.060 -4.281 57.296 1.00 0.00 N ATOM 1664 CA ASP B 55 66.653 -3.473 58.481 1.00 0.00 C ATOM 1665 C ASP B 55 65.166 -3.699 58.760 1.00 0.00 C ATOM 1666 O ASP B 55 64.857 -4.288 59.783 1.00 0.00 O ATOM 1667 CB ASP B 55 66.897 -1.991 58.191 1.00 0.00 C ATOM 1668 CG ASP B 55 68.387 -1.761 57.917 1.00 0.00 C ATOM 1669 OD1 ASP B 55 69.192 -2.222 58.708 1.00 0.00 O ATOM 1670 OD2 ASP B 55 68.694 -1.126 56.922 1.00 0.00 O ATOM 1671 OXT ASP B 55 64.360 -3.280 57.945 1.00 0.00 O ATOM 0 H ASP B 55 67.017 -3.791 56.402 1.00 0.00 H new ATOM 0 HA ASP B 55 67.238 -3.775 59.350 1.00 0.00 H new ATOM 0 HB2 ASP B 55 66.306 -1.676 57.331 1.00 0.00 H new ATOM 0 HB3 ASP B 55 66.575 -1.386 59.039 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.476 -2.092 35.536 1.00 0.00 CD HETATM 1678 CD CD B 56 90.124 -21.218 38.930 1.00 0.00 CD