USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 818 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 NoAdj-H: A 12 HIS HD1 : A 12 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HD1 : B 12 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Set 1.1: A 44 GLN : amide:sc= -1.48 X(o=-4.1,f=-4.2!) USER MOD Set 1.2: B 44 GLN : amide:sc= -2.61! K(o=-4.1!,f=-3.5) USER MOD Set 2.1: B 17 SER OG : rot -83:sc= 0.779 USER MOD Set 2.2: B 18 ASN : amide:sc= -1.65! K(o=-0.87!,f=0.68) USER MOD Set 3.1: A 17 SER OG : rot -92:sc= 0.878 USER MOD Set 3.2: A 18 ASN : amide:sc= -1.81! K(o=-0.93!,f=0.75) USER MOD Single : A 1 PHE N :NH3+ 153:sc= 0.358 (180deg=0.108) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -1.21 K(o=-1.2,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 163:sc= -0.37 (180deg=-1.52) USER MOD Single : A 24 SER OG : rot 79:sc= 0.0174 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 34 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.00909) USER MOD Single : A 39 SER OG : rot 93:sc= 1.19 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 156:sc= -0.0515 (180deg=-0.365) USER MOD Single : A 50 MET CE :methyl -179:sc= 0 (180deg=-0.000122) USER MOD Single : A 51 HIS : no HD1:sc= 0.426 K(o=0.43,f=-2.3!) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : B 1 PHE N :NH3+ 152:sc= 0.367 (180deg=0.106) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= -1.23 K(o=-1.2,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 MET CE :methyl 163:sc= -0.344 (180deg=-1.45) USER MOD Single : B 24 SER OG : rot 79:sc= 0.0176 USER MOD Single : B 27 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : B 34 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.00273) USER MOD Single : B 39 SER OG : rot 93:sc= 1.17 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ 157:sc= -0.0513 (180deg=-0.332) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= 0.436 K(o=0.44,f=-2.3!) USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.757 -3.457 24.324 1.00 0.00 N ATOM 2 CA PHE A 1 94.413 -4.140 25.602 1.00 0.00 C ATOM 3 C PHE A 1 94.032 -3.094 26.656 1.00 0.00 C ATOM 4 O PHE A 1 92.882 -2.729 26.795 1.00 0.00 O ATOM 5 CB PHE A 1 95.622 -4.942 26.097 1.00 0.00 C ATOM 6 CG PHE A 1 95.778 -6.203 25.277 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.544 -6.188 24.105 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.164 -7.391 25.696 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.699 -7.359 23.354 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.316 -8.562 24.943 1.00 0.00 C ATOM 11 CZ PHE A 1 96.084 -8.546 23.772 1.00 0.00 C ATOM 0 H1 PHE A 1 95.421 -4.047 23.783 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.892 -3.309 23.766 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.198 -2.538 24.529 1.00 0.00 H new ATOM 0 HA PHE A 1 93.572 -4.814 25.436 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.525 -4.336 26.023 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.494 -5.196 27.149 1.00 0.00 H new ATOM 0 HD1 PHE A 1 97.016 -5.272 23.780 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.573 -7.404 26.600 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.293 -7.347 22.452 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.841 -9.477 25.265 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.202 -9.449 23.191 1.00 0.00 H new ATOM 23 N LEU A 2 94.990 -2.622 27.409 1.00 0.00 N ATOM 24 CA LEU A 2 94.689 -1.610 28.465 1.00 0.00 C ATOM 25 C LEU A 2 94.084 -0.349 27.845 1.00 0.00 C ATOM 26 O LEU A 2 93.150 0.223 28.371 1.00 0.00 O ATOM 27 CB LEU A 2 95.986 -1.230 29.184 1.00 0.00 C ATOM 28 CG LEU A 2 96.597 -2.459 29.867 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.954 -2.074 30.463 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.665 -2.969 30.982 1.00 0.00 C ATOM 0 H LEU A 2 95.971 -2.894 27.338 1.00 0.00 H new ATOM 0 HA LEU A 2 93.975 -2.041 29.167 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.696 -0.812 28.470 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.785 -0.456 29.925 1.00 0.00 H new ATOM 0 HG LEU A 2 96.726 -3.254 29.132 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.396 -2.942 30.951 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.615 -1.728 29.669 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.817 -1.277 31.194 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.111 -3.842 31.458 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.522 -2.184 31.724 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.701 -3.243 30.553 1.00 0.00 H new ATOM 42 N ASP A 3 94.613 0.097 26.743 1.00 0.00 N ATOM 43 CA ASP A 3 94.071 1.332 26.110 1.00 0.00 C ATOM 44 C ASP A 3 92.630 1.099 25.660 1.00 0.00 C ATOM 45 O ASP A 3 91.780 1.955 25.801 1.00 0.00 O ATOM 46 CB ASP A 3 94.929 1.700 24.903 1.00 0.00 C ATOM 47 CG ASP A 3 96.273 2.251 25.382 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.274 3.309 25.989 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.279 1.605 25.135 1.00 0.00 O ATOM 0 H ASP A 3 95.395 -0.337 26.253 1.00 0.00 H new ATOM 0 HA ASP A 3 94.090 2.145 26.836 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.086 0.824 24.274 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.416 2.443 24.292 1.00 0.00 H new ATOM 54 N GLY A 4 92.346 -0.055 25.127 1.00 0.00 N ATOM 55 CA GLY A 4 90.956 -0.343 24.678 1.00 0.00 C ATOM 56 C GLY A 4 90.021 -0.265 25.884 1.00 0.00 C ATOM 57 O GLY A 4 88.912 0.223 25.797 1.00 0.00 O ATOM 0 H GLY A 4 93.015 -0.811 24.983 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.650 0.374 23.916 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.904 -1.332 24.224 1.00 0.00 H new ATOM 61 N ILE A 5 90.465 -0.756 27.006 1.00 0.00 N ATOM 62 CA ILE A 5 89.616 -0.733 28.229 1.00 0.00 C ATOM 63 C ILE A 5 89.389 0.708 28.704 1.00 0.00 C ATOM 64 O ILE A 5 88.310 1.061 29.136 1.00 0.00 O ATOM 65 CB ILE A 5 90.322 -1.533 29.330 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.286 -3.023 28.974 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.629 -1.303 30.675 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.206 -3.802 29.916 1.00 0.00 C ATOM 0 H ILE A 5 91.387 -1.175 27.129 1.00 0.00 H new ATOM 0 HA ILE A 5 88.646 -1.175 28.002 1.00 0.00 H new ATOM 0 HB ILE A 5 91.357 -1.201 29.409 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.266 -3.401 29.052 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.601 -3.167 27.941 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.139 -1.876 31.450 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.664 -0.243 30.926 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.590 -1.626 30.609 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.177 -4.861 29.659 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.226 -3.432 29.816 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.871 -3.669 30.945 1.00 0.00 H new ATOM 80 N ASP A 6 90.390 1.539 28.647 1.00 0.00 N ATOM 81 CA ASP A 6 90.204 2.940 29.119 1.00 0.00 C ATOM 82 C ASP A 6 89.106 3.617 28.299 1.00 0.00 C ATOM 83 O ASP A 6 88.224 4.262 28.833 1.00 0.00 O ATOM 84 CB ASP A 6 91.513 3.718 28.967 1.00 0.00 C ATOM 85 CG ASP A 6 91.311 5.153 29.458 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.505 5.854 28.868 1.00 0.00 O ATOM 87 OD2 ASP A 6 91.964 5.528 30.419 1.00 0.00 O ATOM 0 H ASP A 6 91.321 1.313 28.298 1.00 0.00 H new ATOM 0 HA ASP A 6 89.915 2.928 30.170 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.305 3.234 29.539 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.829 3.720 27.924 1.00 0.00 H new ATOM 92 N LYS A 7 89.146 3.474 27.003 1.00 0.00 N ATOM 93 CA LYS A 7 88.099 4.108 26.155 1.00 0.00 C ATOM 94 C LYS A 7 86.766 3.393 26.384 1.00 0.00 C ATOM 95 O LYS A 7 85.719 4.007 26.455 1.00 0.00 O ATOM 96 CB LYS A 7 88.501 3.979 24.684 1.00 0.00 C ATOM 97 CG LYS A 7 89.723 4.856 24.404 1.00 0.00 C ATOM 98 CD LYS A 7 90.120 4.724 22.932 1.00 0.00 C ATOM 99 CE LYS A 7 91.342 5.598 22.649 1.00 0.00 C ATOM 100 NZ LYS A 7 91.781 5.398 21.239 1.00 0.00 N ATOM 0 H LYS A 7 89.857 2.947 26.496 1.00 0.00 H new ATOM 0 HA LYS A 7 87.997 5.161 26.416 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.726 2.939 24.449 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.672 4.279 24.043 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.499 5.896 24.639 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.553 4.556 25.044 1.00 0.00 H new ATOM 0 HD2 LYS A 7 90.343 3.683 22.697 1.00 0.00 H new ATOM 0 HD3 LYS A 7 89.290 5.024 22.293 1.00 0.00 H new ATOM 0 HE2 LYS A 7 91.100 6.647 22.820 1.00 0.00 H new ATOM 0 HE3 LYS A 7 92.151 5.342 23.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 92.612 5.993 21.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 92.028 4.399 21.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 91.009 5.663 20.594 1.00 0.00 H new ATOM 114 N ALA A 8 86.805 2.095 26.503 1.00 0.00 N ATOM 115 CA ALA A 8 85.555 1.313 26.732 1.00 0.00 C ATOM 116 C ALA A 8 85.025 1.570 28.144 1.00 0.00 C ATOM 117 O ALA A 8 83.852 1.411 28.413 1.00 0.00 O ATOM 118 CB ALA A 8 85.851 -0.177 26.563 1.00 0.00 C ATOM 0 H ALA A 8 87.657 1.536 26.451 1.00 0.00 H new ATOM 0 HA ALA A 8 84.802 1.624 26.008 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.939 -0.750 26.730 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.217 -0.363 25.553 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.608 -0.482 27.285 1.00 0.00 H new ATOM 124 N GLN A 9 85.883 1.944 29.055 1.00 0.00 N ATOM 125 CA GLN A 9 85.425 2.183 30.454 1.00 0.00 C ATOM 126 C GLN A 9 84.388 3.309 30.477 1.00 0.00 C ATOM 127 O GLN A 9 84.531 4.316 29.812 1.00 0.00 O ATOM 128 CB GLN A 9 86.623 2.577 31.320 1.00 0.00 C ATOM 129 CG GLN A 9 86.198 2.634 32.788 1.00 0.00 C ATOM 130 CD GLN A 9 87.381 3.078 33.647 1.00 0.00 C ATOM 131 OE1 GLN A 9 87.204 3.511 34.769 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.591 2.991 33.167 1.00 0.00 N ATOM 0 H GLN A 9 86.879 2.094 28.892 1.00 0.00 H new ATOM 0 HA GLN A 9 84.973 1.271 30.845 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.430 1.855 31.192 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.009 3.546 31.005 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.366 3.328 32.910 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.846 1.655 33.114 1.00 0.00 H new ATOM 0 HE21 GLN A 9 88.741 2.628 32.226 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.387 3.286 33.733 1.00 0.00 H new ATOM 141 N GLU A 10 83.344 3.138 31.241 1.00 0.00 N ATOM 142 CA GLU A 10 82.284 4.183 31.320 1.00 0.00 C ATOM 143 C GLU A 10 81.505 3.998 32.625 1.00 0.00 C ATOM 144 O GLU A 10 81.606 2.977 33.275 1.00 0.00 O ATOM 145 CB GLU A 10 81.336 4.044 30.121 1.00 0.00 C ATOM 146 CG GLU A 10 80.351 5.217 30.097 1.00 0.00 C ATOM 147 CD GLU A 10 79.592 5.223 28.768 1.00 0.00 C ATOM 148 OE1 GLU A 10 80.239 5.343 27.740 1.00 0.00 O ATOM 149 OE2 GLU A 10 78.378 5.111 28.800 1.00 0.00 O ATOM 0 H GLU A 10 83.179 2.313 31.818 1.00 0.00 H new ATOM 0 HA GLU A 10 82.736 5.175 31.300 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.909 4.020 29.194 1.00 0.00 H new ATOM 0 HB3 GLU A 10 80.792 3.102 30.184 1.00 0.00 H new ATOM 0 HG2 GLU A 10 79.650 5.133 30.927 1.00 0.00 H new ATOM 0 HG3 GLU A 10 80.887 6.158 30.226 1.00 0.00 H new ATOM 156 N GLU A 11 80.731 4.971 33.016 1.00 0.00 N ATOM 157 CA GLU A 11 79.955 4.841 34.281 1.00 0.00 C ATOM 158 C GLU A 11 79.026 3.631 34.187 1.00 0.00 C ATOM 159 O GLU A 11 78.608 3.234 33.118 1.00 0.00 O ATOM 160 CB GLU A 11 79.120 6.104 34.503 1.00 0.00 C ATOM 161 CG GLU A 11 80.041 7.272 34.855 1.00 0.00 C ATOM 162 CD GLU A 11 79.206 8.540 35.038 1.00 0.00 C ATOM 163 OE1 GLU A 11 78.681 9.026 34.050 1.00 0.00 O ATOM 164 OE2 GLU A 11 79.104 9.002 36.162 1.00 0.00 O ATOM 0 H GLU A 11 80.602 5.850 32.515 1.00 0.00 H new ATOM 0 HA GLU A 11 80.644 4.709 35.115 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.548 6.337 33.605 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.401 5.940 35.305 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.593 7.052 35.769 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.778 7.419 34.065 1.00 0.00 H new ATOM 171 N HIS A 12 78.706 3.035 35.303 1.00 0.00 N ATOM 172 CA HIS A 12 77.814 1.844 35.282 1.00 0.00 C ATOM 173 C HIS A 12 76.446 2.244 34.737 1.00 0.00 C ATOM 174 O HIS A 12 75.497 2.425 35.473 1.00 0.00 O ATOM 175 CB HIS A 12 77.663 1.300 36.701 1.00 0.00 C ATOM 176 CG HIS A 12 76.825 0.052 36.681 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.360 -1.198 36.391 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.494 -0.159 36.942 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.362 -2.099 36.495 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.208 -1.515 36.828 1.00 0.00 N ATOM 0 H HIS A 12 79.025 3.322 36.228 1.00 0.00 H new ATOM 0 HA HIS A 12 78.246 1.074 34.643 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.644 1.084 37.124 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.199 2.051 37.341 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.779 0.610 37.197 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.481 -3.160 36.330 1.00 0.00 H new ATOM 0 HE2 HIS A 12 74.305 -1.969 36.969 1.00 0.00 H new ATOM 188 N GLU A 13 76.345 2.382 33.443 1.00 0.00 N ATOM 189 CA GLU A 13 75.049 2.771 32.812 1.00 0.00 C ATOM 190 C GLU A 13 74.367 1.522 32.238 1.00 0.00 C ATOM 191 O GLU A 13 74.655 0.409 32.632 1.00 0.00 O ATOM 192 CB GLU A 13 75.325 3.771 31.688 1.00 0.00 C ATOM 193 CG GLU A 13 75.792 5.099 32.289 1.00 0.00 C ATOM 194 CD GLU A 13 74.624 5.775 33.010 1.00 0.00 C ATOM 195 OE1 GLU A 13 73.496 5.565 32.596 1.00 0.00 O ATOM 196 OE2 GLU A 13 74.878 6.493 33.964 1.00 0.00 O ATOM 0 H GLU A 13 77.114 2.240 32.788 1.00 0.00 H new ATOM 0 HA GLU A 13 74.395 3.227 33.555 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.086 3.377 31.015 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.424 3.925 31.095 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.612 4.926 32.986 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.174 5.751 31.503 1.00 0.00 H new ATOM 203 N LYS A 14 73.463 1.700 31.314 1.00 0.00 N ATOM 204 CA LYS A 14 72.755 0.529 30.717 1.00 0.00 C ATOM 205 C LYS A 14 73.724 -0.272 29.846 1.00 0.00 C ATOM 206 O LYS A 14 73.600 -1.473 29.704 1.00 0.00 O ATOM 207 CB LYS A 14 71.599 1.025 29.849 1.00 0.00 C ATOM 208 CG LYS A 14 70.537 1.671 30.738 1.00 0.00 C ATOM 209 CD LYS A 14 69.379 2.167 29.871 1.00 0.00 C ATOM 210 CE LYS A 14 68.319 2.813 30.764 1.00 0.00 C ATOM 211 NZ LYS A 14 67.186 3.294 29.922 1.00 0.00 N ATOM 0 H LYS A 14 73.182 2.608 30.945 1.00 0.00 H new ATOM 0 HA LYS A 14 72.374 -0.106 31.517 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.963 1.745 29.116 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.166 0.194 29.291 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.174 0.951 31.471 1.00 0.00 H new ATOM 0 HG3 LYS A 14 70.970 2.502 31.295 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.741 2.888 29.138 1.00 0.00 H new ATOM 0 HD3 LYS A 14 68.945 1.337 29.314 1.00 0.00 H new ATOM 0 HE2 LYS A 14 67.960 2.093 31.499 1.00 0.00 H new ATOM 0 HE3 LYS A 14 68.753 3.645 31.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 66.465 3.733 30.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 67.535 3.994 29.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 66.767 2.490 29.412 1.00 0.00 H new ATOM 225 N TYR A 15 74.682 0.385 29.258 1.00 0.00 N ATOM 226 CA TYR A 15 75.657 -0.329 28.386 1.00 0.00 C ATOM 227 C TYR A 15 76.388 -1.389 29.212 1.00 0.00 C ATOM 228 O TYR A 15 76.696 -2.459 28.726 1.00 0.00 O ATOM 229 CB TYR A 15 76.663 0.677 27.813 1.00 0.00 C ATOM 230 CG TYR A 15 76.041 1.398 26.638 1.00 0.00 C ATOM 231 CD1 TYR A 15 76.078 0.821 25.363 1.00 0.00 C ATOM 232 CD2 TYR A 15 75.424 2.640 26.827 1.00 0.00 C ATOM 233 CE1 TYR A 15 75.499 1.488 24.277 1.00 0.00 C ATOM 234 CE2 TYR A 15 74.845 3.307 25.742 1.00 0.00 C ATOM 235 CZ TYR A 15 74.883 2.731 24.465 1.00 0.00 C ATOM 236 OH TYR A 15 74.314 3.389 23.394 1.00 0.00 O ATOM 0 H TYR A 15 74.834 1.390 29.343 1.00 0.00 H new ATOM 0 HA TYR A 15 75.132 -0.813 27.563 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.954 1.394 28.581 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.570 0.161 27.498 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.553 -0.138 25.217 1.00 0.00 H new ATOM 0 HD2 TYR A 15 75.395 3.084 27.811 1.00 0.00 H new ATOM 0 HE1 TYR A 15 75.528 1.043 23.293 1.00 0.00 H new ATOM 0 HE2 TYR A 15 74.369 4.265 25.888 1.00 0.00 H new ATOM 0 HH TYR A 15 73.929 4.237 23.698 1.00 0.00 H new ATOM 246 N HIS A 16 76.670 -1.108 30.455 1.00 0.00 N ATOM 247 CA HIS A 16 77.381 -2.115 31.291 1.00 0.00 C ATOM 248 C HIS A 16 76.536 -3.392 31.369 1.00 0.00 C ATOM 249 O HIS A 16 77.055 -4.489 31.307 1.00 0.00 O ATOM 250 CB HIS A 16 77.594 -1.551 32.706 1.00 0.00 C ATOM 251 CG HIS A 16 78.826 -0.685 32.743 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.655 -0.626 33.858 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.389 0.154 31.811 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.661 0.222 33.571 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.545 0.721 32.338 1.00 0.00 N ATOM 0 H HIS A 16 76.441 -0.232 30.924 1.00 0.00 H new ATOM 0 HA HIS A 16 78.349 -2.343 30.845 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.723 -0.969 33.008 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.694 -2.369 33.420 1.00 0.00 H new ATOM 0 HD2 HIS A 16 78.995 0.344 30.823 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.462 0.468 34.253 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.173 1.380 31.878 1.00 0.00 H new ATOM 263 N SER A 17 75.243 -3.267 31.496 1.00 0.00 N ATOM 264 CA SER A 17 74.395 -4.488 31.566 1.00 0.00 C ATOM 265 C SER A 17 74.577 -5.299 30.281 1.00 0.00 C ATOM 266 O SER A 17 74.756 -6.502 30.311 1.00 0.00 O ATOM 267 CB SER A 17 72.926 -4.087 31.706 1.00 0.00 C ATOM 268 OG SER A 17 72.478 -3.509 30.487 1.00 0.00 O ATOM 0 H SER A 17 74.742 -2.380 31.554 1.00 0.00 H new ATOM 0 HA SER A 17 74.690 -5.087 32.428 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.321 -4.960 31.952 1.00 0.00 H new ATOM 0 HB3 SER A 17 72.808 -3.376 32.524 1.00 0.00 H new ATOM 0 HG SER A 17 72.602 -2.537 30.521 1.00 0.00 H new ATOM 274 N ASN A 18 74.542 -4.644 29.149 1.00 0.00 N ATOM 275 CA ASN A 18 74.718 -5.364 27.853 1.00 0.00 C ATOM 276 C ASN A 18 76.189 -5.311 27.437 1.00 0.00 C ATOM 277 O ASN A 18 76.612 -4.413 26.735 1.00 0.00 O ATOM 278 CB ASN A 18 73.864 -4.687 26.778 1.00 0.00 C ATOM 279 CG ASN A 18 72.381 -4.933 27.068 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.522 -4.342 26.442 1.00 0.00 O ATOM 281 ND2 ASN A 18 72.038 -5.784 27.998 1.00 0.00 N ATOM 0 H ASN A 18 74.398 -3.637 29.067 1.00 0.00 H new ATOM 0 HA ASN A 18 74.408 -6.403 27.968 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.068 -3.616 26.758 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.122 -5.079 25.794 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.052 -5.951 28.198 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.756 -6.281 28.525 1.00 0.00 H new ATOM 288 N TRP A 19 76.973 -6.262 27.862 1.00 0.00 N ATOM 289 CA TRP A 19 78.413 -6.260 27.483 1.00 0.00 C ATOM 290 C TRP A 19 78.554 -6.574 25.992 1.00 0.00 C ATOM 291 O TRP A 19 79.497 -6.161 25.347 1.00 0.00 O ATOM 292 CB TRP A 19 79.183 -7.293 28.312 1.00 0.00 C ATOM 293 CG TRP A 19 78.712 -8.683 28.007 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.789 -9.366 28.724 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.135 -9.572 26.933 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.626 -10.620 28.163 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.433 -10.795 27.056 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.052 -9.440 25.874 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.635 -11.848 26.163 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.255 -10.496 24.972 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.550 -11.699 25.118 1.00 0.00 C ATOM 0 H TRP A 19 76.680 -7.039 28.454 1.00 0.00 H new ATOM 0 HA TRP A 19 78.830 -5.273 27.683 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.249 -7.212 28.102 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.051 -7.085 29.374 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.266 -8.993 29.592 1.00 0.00 H new ATOM 0 HE1 TRP A 19 76.987 -11.329 28.523 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.604 -8.519 25.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.088 -12.772 26.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.958 -10.381 24.161 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.714 -12.510 24.423 1.00 0.00 H new ATOM 312 N ARG A 20 77.635 -7.321 25.446 1.00 0.00 N ATOM 313 CA ARG A 20 77.723 -7.687 24.002 1.00 0.00 C ATOM 314 C ARG A 20 77.695 -6.430 23.128 1.00 0.00 C ATOM 315 O ARG A 20 78.419 -6.325 22.157 1.00 0.00 O ATOM 316 CB ARG A 20 76.524 -8.563 23.644 1.00 0.00 C ATOM 317 CG ARG A 20 76.666 -9.924 24.320 1.00 0.00 C ATOM 318 CD ARG A 20 75.463 -10.798 23.959 1.00 0.00 C ATOM 319 NE ARG A 20 74.191 -10.128 24.403 1.00 0.00 N ATOM 320 CZ ARG A 20 73.982 -9.788 25.650 1.00 0.00 C ATOM 321 NH1 ARG A 20 74.793 -10.180 26.594 1.00 0.00 N ATOM 322 NH2 ARG A 20 72.920 -9.094 25.961 1.00 0.00 N ATOM 0 H ARG A 20 76.824 -7.696 25.938 1.00 0.00 H new ATOM 0 HA ARG A 20 78.657 -8.221 23.826 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.600 -8.081 23.964 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.461 -8.687 22.563 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.589 -10.407 24.000 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.729 -9.801 25.401 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.437 -10.970 22.883 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.556 -11.774 24.435 1.00 0.00 H new ATOM 0 HE ARG A 20 73.468 -9.932 23.710 1.00 0.00 H new ATOM 0 HH11 ARG A 20 75.601 -10.758 26.364 1.00 0.00 H new ATOM 0 HH12 ARG A 20 74.619 -9.908 27.562 1.00 0.00 H new ATOM 0 HH21 ARG A 20 72.259 -8.820 25.234 1.00 0.00 H new ATOM 0 HH22 ARG A 20 72.752 -8.826 26.931 1.00 0.00 H new ATOM 336 N ALA A 21 76.869 -5.476 23.455 1.00 0.00 N ATOM 337 CA ALA A 21 76.811 -4.237 22.627 1.00 0.00 C ATOM 338 C ALA A 21 78.182 -3.559 22.646 1.00 0.00 C ATOM 339 O ALA A 21 78.661 -3.073 21.641 1.00 0.00 O ATOM 340 CB ALA A 21 75.757 -3.281 23.194 1.00 0.00 C ATOM 0 H ALA A 21 76.235 -5.499 24.254 1.00 0.00 H new ATOM 0 HA ALA A 21 76.541 -4.495 21.603 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.720 -2.378 22.585 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.781 -3.767 23.183 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.019 -3.017 24.219 1.00 0.00 H new ATOM 346 N MET A 22 78.815 -3.526 23.786 1.00 0.00 N ATOM 347 CA MET A 22 80.155 -2.884 23.879 1.00 0.00 C ATOM 348 C MET A 22 81.162 -3.676 23.043 1.00 0.00 C ATOM 349 O MET A 22 81.991 -3.114 22.357 1.00 0.00 O ATOM 350 CB MET A 22 80.594 -2.868 25.343 1.00 0.00 C ATOM 351 CG MET A 22 81.953 -2.180 25.472 1.00 0.00 C ATOM 352 SD MET A 22 82.322 -1.895 27.223 1.00 0.00 S ATOM 353 CE MET A 22 82.242 -3.619 27.766 1.00 0.00 C ATOM 0 H MET A 22 78.461 -3.917 24.659 1.00 0.00 H new ATOM 0 HA MET A 22 80.106 -1.863 23.500 1.00 0.00 H new ATOM 0 HB2 MET A 22 79.853 -2.345 25.948 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.655 -3.887 25.724 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.730 -2.798 25.022 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.946 -1.233 24.932 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.727 -3.717 28.737 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.200 -3.927 27.848 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.751 -4.253 27.040 1.00 0.00 H new ATOM 363 N ALA A 23 81.090 -4.978 23.084 1.00 0.00 N ATOM 364 CA ALA A 23 82.041 -5.797 22.282 1.00 0.00 C ATOM 365 C ALA A 23 81.801 -5.535 20.794 1.00 0.00 C ATOM 366 O ALA A 23 82.725 -5.388 20.020 1.00 0.00 O ATOM 367 CB ALA A 23 81.808 -7.281 22.580 1.00 0.00 C ATOM 0 H ALA A 23 80.416 -5.508 23.636 1.00 0.00 H new ATOM 0 HA ALA A 23 83.065 -5.529 22.541 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.503 -7.883 21.994 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.970 -7.469 23.641 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.785 -7.549 22.317 1.00 0.00 H new ATOM 373 N SER A 24 80.563 -5.478 20.392 1.00 0.00 N ATOM 374 CA SER A 24 80.253 -5.229 18.956 1.00 0.00 C ATOM 375 C SER A 24 80.697 -3.817 18.564 1.00 0.00 C ATOM 376 O SER A 24 81.216 -3.595 17.488 1.00 0.00 O ATOM 377 CB SER A 24 78.747 -5.373 18.730 1.00 0.00 C ATOM 378 OG SER A 24 78.369 -6.728 18.942 1.00 0.00 O ATOM 0 H SER A 24 79.750 -5.593 20.997 1.00 0.00 H new ATOM 0 HA SER A 24 80.787 -5.954 18.342 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.201 -4.720 19.411 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.488 -5.065 17.717 1.00 0.00 H new ATOM 0 HG SER A 24 78.304 -6.903 19.904 1.00 0.00 H new ATOM 384 N ASP A 25 80.492 -2.859 19.427 1.00 0.00 N ATOM 385 CA ASP A 25 80.895 -1.460 19.101 1.00 0.00 C ATOM 386 C ASP A 25 82.412 -1.383 18.907 1.00 0.00 C ATOM 387 O ASP A 25 82.900 -0.697 18.030 1.00 0.00 O ATOM 388 CB ASP A 25 80.481 -0.527 20.241 1.00 0.00 C ATOM 389 CG ASP A 25 78.961 -0.357 20.238 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.347 -0.710 19.245 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.438 0.128 21.228 1.00 0.00 O ATOM 0 H ASP A 25 80.063 -2.984 20.344 1.00 0.00 H new ATOM 0 HA ASP A 25 80.399 -1.154 18.180 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.810 -0.936 21.197 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.966 0.442 20.125 1.00 0.00 H new ATOM 396 N PHE A 26 83.165 -2.077 19.721 1.00 0.00 N ATOM 397 CA PHE A 26 84.656 -2.043 19.590 1.00 0.00 C ATOM 398 C PHE A 26 85.144 -3.268 18.814 1.00 0.00 C ATOM 399 O PHE A 26 86.324 -3.436 18.586 1.00 0.00 O ATOM 400 CB PHE A 26 85.286 -2.048 20.984 1.00 0.00 C ATOM 401 CG PHE A 26 85.080 -0.701 21.639 1.00 0.00 C ATOM 402 CD1 PHE A 26 83.813 -0.335 22.113 1.00 0.00 C ATOM 403 CD2 PHE A 26 86.157 0.187 21.769 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.625 0.915 22.716 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.968 1.435 22.371 1.00 0.00 C ATOM 406 CZ PHE A 26 84.702 1.800 22.845 1.00 0.00 C ATOM 0 H PHE A 26 82.812 -2.668 20.474 1.00 0.00 H new ATOM 0 HA PHE A 26 84.946 -1.140 19.053 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.838 -2.832 21.594 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.351 -2.270 20.912 1.00 0.00 H new ATOM 0 HD1 PHE A 26 82.981 -1.017 22.013 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.134 -0.093 21.404 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.649 1.196 23.082 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.799 2.118 22.470 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.556 2.764 23.310 1.00 0.00 H new ATOM 416 N ASN A 27 84.248 -4.125 18.409 1.00 0.00 N ATOM 417 CA ASN A 27 84.667 -5.340 17.651 1.00 0.00 C ATOM 418 C ASN A 27 85.731 -6.101 18.441 1.00 0.00 C ATOM 419 O ASN A 27 86.739 -6.514 17.902 1.00 0.00 O ATOM 420 CB ASN A 27 85.231 -4.941 16.284 1.00 0.00 C ATOM 421 CG ASN A 27 84.140 -4.252 15.463 1.00 0.00 C ATOM 422 OD1 ASN A 27 83.032 -4.743 15.372 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.410 -3.134 14.850 1.00 0.00 N ATOM 0 H ASN A 27 83.244 -4.038 18.569 1.00 0.00 H new ATOM 0 HA ASN A 27 83.797 -5.980 17.504 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.082 -4.272 16.411 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.595 -5.823 15.757 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.691 -2.671 14.294 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.340 -2.722 14.927 1.00 0.00 H new ATOM 430 N LEU A 28 85.507 -6.299 19.717 1.00 0.00 N ATOM 431 CA LEU A 28 86.487 -7.048 20.566 1.00 0.00 C ATOM 432 C LEU A 28 85.800 -8.322 21.062 1.00 0.00 C ATOM 433 O LEU A 28 84.596 -8.345 21.225 1.00 0.00 O ATOM 434 CB LEU A 28 86.876 -6.185 21.774 1.00 0.00 C ATOM 435 CG LEU A 28 87.676 -4.959 21.316 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.770 -3.964 22.476 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.091 -5.371 20.871 1.00 0.00 C ATOM 0 H LEU A 28 84.678 -5.970 20.212 1.00 0.00 H new ATOM 0 HA LEU A 28 87.382 -7.290 19.993 1.00 0.00 H new ATOM 0 HB2 LEU A 28 85.979 -5.865 22.305 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.468 -6.774 22.474 1.00 0.00 H new ATOM 0 HG LEU A 28 87.169 -4.498 20.468 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.337 -3.089 22.160 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.767 -3.658 22.775 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.272 -4.436 23.320 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.643 -4.488 20.550 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.612 -5.841 21.705 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.021 -6.076 20.043 1.00 0.00 H new ATOM 449 N PRO A 29 86.535 -9.377 21.307 1.00 0.00 N ATOM 450 CA PRO A 29 85.930 -10.645 21.793 1.00 0.00 C ATOM 451 C PRO A 29 85.413 -10.489 23.229 1.00 0.00 C ATOM 452 O PRO A 29 85.814 -9.590 23.940 1.00 0.00 O ATOM 453 CB PRO A 29 87.082 -11.661 21.715 1.00 0.00 C ATOM 454 CG PRO A 29 88.332 -10.840 21.794 1.00 0.00 C ATOM 455 CD PRO A 29 87.998 -9.488 21.153 1.00 0.00 C ATOM 0 HA PRO A 29 85.067 -10.955 21.204 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.030 -12.380 22.533 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.043 -12.231 20.787 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.649 -10.712 22.829 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.152 -11.328 21.268 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.516 -8.670 21.653 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.293 -9.459 20.104 1.00 0.00 H new ATOM 463 N PRO A 30 84.523 -11.345 23.649 1.00 0.00 N ATOM 464 CA PRO A 30 83.937 -11.280 25.019 1.00 0.00 C ATOM 465 C PRO A 30 85.025 -11.206 26.098 1.00 0.00 C ATOM 466 O PRO A 30 84.784 -10.784 27.207 1.00 0.00 O ATOM 467 CB PRO A 30 83.116 -12.589 25.141 1.00 0.00 C ATOM 468 CG PRO A 30 83.525 -13.439 23.970 1.00 0.00 C ATOM 469 CD PRO A 30 83.980 -12.472 22.883 1.00 0.00 C ATOM 0 HA PRO A 30 83.329 -10.387 25.164 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.325 -13.095 26.084 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.046 -12.383 25.120 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.329 -14.121 24.246 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.692 -14.051 23.623 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.733 -12.919 22.235 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.152 -12.164 22.244 1.00 0.00 H new ATOM 477 N VAL A 31 86.214 -11.623 25.782 1.00 0.00 N ATOM 478 CA VAL A 31 87.302 -11.596 26.796 1.00 0.00 C ATOM 479 C VAL A 31 87.501 -10.180 27.326 1.00 0.00 C ATOM 480 O VAL A 31 87.469 -9.943 28.518 1.00 0.00 O ATOM 481 CB VAL A 31 88.601 -12.074 26.139 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.739 -12.094 27.164 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.395 -13.478 25.573 1.00 0.00 C ATOM 0 H VAL A 31 86.482 -11.982 24.866 1.00 0.00 H new ATOM 0 HA VAL A 31 87.033 -12.248 27.627 1.00 0.00 H new ATOM 0 HB VAL A 31 88.866 -11.388 25.334 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.656 -12.436 26.683 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.890 -11.090 27.560 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.483 -12.771 27.979 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.318 -13.821 25.105 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.123 -14.159 26.379 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.597 -13.458 24.830 1.00 0.00 H new ATOM 493 N VAL A 32 87.715 -9.237 26.460 1.00 0.00 N ATOM 494 CA VAL A 32 87.927 -7.843 26.931 1.00 0.00 C ATOM 495 C VAL A 32 86.642 -7.323 27.573 1.00 0.00 C ATOM 496 O VAL A 32 86.663 -6.721 28.628 1.00 0.00 O ATOM 497 CB VAL A 32 88.312 -6.958 25.746 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.448 -5.506 26.209 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.643 -7.444 25.166 1.00 0.00 C ATOM 0 H VAL A 32 87.753 -9.368 25.449 1.00 0.00 H new ATOM 0 HA VAL A 32 88.730 -7.823 27.668 1.00 0.00 H new ATOM 0 HB VAL A 32 87.538 -7.015 24.980 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.723 -4.878 25.361 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.498 -5.165 26.621 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.220 -5.439 26.975 1.00 0.00 H new ATOM 0 HG21 VAL A 32 89.922 -6.816 24.320 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.416 -7.386 25.932 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.539 -8.477 24.833 1.00 0.00 H new ATOM 509 N ALA A 33 85.525 -7.552 26.944 1.00 0.00 N ATOM 510 CA ALA A 33 84.234 -7.075 27.515 1.00 0.00 C ATOM 511 C ALA A 33 83.971 -7.767 28.855 1.00 0.00 C ATOM 512 O ALA A 33 83.605 -7.135 29.826 1.00 0.00 O ATOM 513 CB ALA A 33 83.099 -7.386 26.537 1.00 0.00 C ATOM 0 H ALA A 33 85.449 -8.050 26.057 1.00 0.00 H new ATOM 0 HA ALA A 33 84.286 -5.998 27.677 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.154 -7.038 26.954 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.286 -6.880 25.590 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.047 -8.462 26.370 1.00 0.00 H new ATOM 519 N LYS A 34 84.157 -9.059 28.920 1.00 0.00 N ATOM 520 CA LYS A 34 83.922 -9.780 30.202 1.00 0.00 C ATOM 521 C LYS A 34 84.899 -9.284 31.270 1.00 0.00 C ATOM 522 O LYS A 34 84.548 -9.141 32.422 1.00 0.00 O ATOM 523 CB LYS A 34 84.061 -11.289 29.986 1.00 0.00 C ATOM 524 CG LYS A 34 82.842 -11.795 29.200 1.00 0.00 C ATOM 525 CD LYS A 34 82.958 -13.301 28.966 1.00 0.00 C ATOM 526 CE LYS A 34 81.719 -13.802 28.209 1.00 0.00 C ATOM 527 NZ LYS A 34 80.592 -13.963 29.167 1.00 0.00 N ATOM 0 H LYS A 34 84.461 -9.644 28.142 1.00 0.00 H new ATOM 0 HA LYS A 34 82.909 -9.577 30.549 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.979 -11.508 29.440 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.130 -11.802 30.945 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.927 -11.574 29.750 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.774 -11.275 28.245 1.00 0.00 H new ATOM 0 HD2 LYS A 34 83.860 -13.522 28.395 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.049 -13.821 29.919 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.447 -13.096 27.425 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.936 -14.752 27.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.061 -14.827 28.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.966 -14.034 30.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 79.959 -13.140 29.100 1.00 0.00 H new ATOM 541 N GLU A 35 86.126 -9.033 30.912 1.00 0.00 N ATOM 542 CA GLU A 35 87.097 -8.560 31.937 1.00 0.00 C ATOM 543 C GLU A 35 86.603 -7.245 32.548 1.00 0.00 C ATOM 544 O GLU A 35 86.712 -7.031 33.739 1.00 0.00 O ATOM 545 CB GLU A 35 88.467 -8.335 31.292 1.00 0.00 C ATOM 546 CG GLU A 35 89.514 -8.056 32.380 1.00 0.00 C ATOM 547 CD GLU A 35 89.410 -6.598 32.836 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.450 -5.728 31.983 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.291 -6.378 34.030 1.00 0.00 O ATOM 0 H GLU A 35 86.496 -9.133 29.967 1.00 0.00 H new ATOM 0 HA GLU A 35 87.185 -9.315 32.718 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.755 -9.213 30.713 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.419 -7.497 30.597 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.359 -8.724 33.227 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.514 -8.256 31.995 1.00 0.00 H new ATOM 556 N ILE A 36 86.056 -6.363 31.753 1.00 0.00 N ATOM 557 CA ILE A 36 85.559 -5.074 32.315 1.00 0.00 C ATOM 558 C ILE A 36 84.480 -5.384 33.353 1.00 0.00 C ATOM 559 O ILE A 36 84.417 -4.779 34.405 1.00 0.00 O ATOM 560 CB ILE A 36 84.974 -4.214 31.192 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.109 -3.743 30.280 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.266 -2.994 31.788 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.522 -3.152 28.997 1.00 0.00 C ATOM 0 H ILE A 36 85.933 -6.478 30.747 1.00 0.00 H new ATOM 0 HA ILE A 36 86.377 -4.526 32.783 1.00 0.00 H new ATOM 0 HB ILE A 36 84.256 -4.803 30.620 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.715 -2.996 30.793 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.767 -4.578 30.040 1.00 0.00 H new ATOM 0 HG21 ILE A 36 83.851 -2.385 30.984 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.461 -3.325 32.445 1.00 0.00 H new ATOM 0 HG23 ILE A 36 84.981 -2.402 32.360 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.331 -2.817 28.348 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.935 -3.912 28.482 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.882 -2.306 29.246 1.00 0.00 H new ATOM 575 N VAL A 37 83.644 -6.346 33.067 1.00 0.00 N ATOM 576 CA VAL A 37 82.577 -6.732 34.033 1.00 0.00 C ATOM 577 C VAL A 37 83.239 -7.222 35.322 1.00 0.00 C ATOM 578 O VAL A 37 82.792 -6.933 36.415 1.00 0.00 O ATOM 579 CB VAL A 37 81.728 -7.853 33.415 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.842 -8.515 34.484 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.851 -7.256 32.308 1.00 0.00 C ATOM 0 H VAL A 37 83.655 -6.884 32.200 1.00 0.00 H new ATOM 0 HA VAL A 37 81.935 -5.880 34.257 1.00 0.00 H new ATOM 0 HB VAL A 37 82.387 -8.615 33.000 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.249 -9.306 34.026 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.471 -8.940 35.266 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.177 -7.769 34.919 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.243 -8.043 31.861 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.200 -6.491 32.732 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.485 -6.809 31.543 1.00 0.00 H new ATOM 591 N ALA A 38 84.303 -7.958 35.193 1.00 0.00 N ATOM 592 CA ALA A 38 85.012 -8.472 36.395 1.00 0.00 C ATOM 593 C ALA A 38 85.569 -7.296 37.197 1.00 0.00 C ATOM 594 O ALA A 38 85.537 -7.291 38.412 1.00 0.00 O ATOM 595 CB ALA A 38 86.155 -9.390 35.955 1.00 0.00 C ATOM 0 H ALA A 38 84.716 -8.228 34.300 1.00 0.00 H new ATOM 0 HA ALA A 38 84.318 -9.035 37.019 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.677 -9.768 36.834 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.751 -10.226 35.385 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.853 -8.830 35.332 1.00 0.00 H new ATOM 601 N SER A 39 86.088 -6.299 36.530 1.00 0.00 N ATOM 602 CA SER A 39 86.651 -5.132 37.265 1.00 0.00 C ATOM 603 C SER A 39 85.511 -4.314 37.878 1.00 0.00 C ATOM 604 O SER A 39 85.605 -3.845 38.996 1.00 0.00 O ATOM 605 CB SER A 39 87.456 -4.254 36.304 1.00 0.00 C ATOM 606 OG SER A 39 88.642 -4.939 35.923 1.00 0.00 O ATOM 0 H SER A 39 86.146 -6.243 35.513 1.00 0.00 H new ATOM 0 HA SER A 39 87.307 -5.489 38.058 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.860 -4.018 35.423 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.707 -3.307 36.782 1.00 0.00 H new ATOM 0 HG SER A 39 88.483 -5.429 35.089 1.00 0.00 H new ATOM 612 N CYS A 40 84.430 -4.147 37.169 1.00 0.00 N ATOM 613 CA CYS A 40 83.289 -3.369 37.735 1.00 0.00 C ATOM 614 C CYS A 40 82.574 -4.231 38.776 1.00 0.00 C ATOM 615 O CYS A 40 81.958 -5.228 38.456 1.00 0.00 O ATOM 616 CB CYS A 40 82.311 -2.991 36.621 1.00 0.00 C ATOM 617 SG CYS A 40 81.099 -1.809 37.265 1.00 0.00 S ATOM 0 H CYS A 40 84.286 -4.512 36.228 1.00 0.00 H new ATOM 0 HA CYS A 40 83.662 -2.456 38.200 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.850 -2.555 35.780 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.805 -3.881 36.248 1.00 0.00 H new ATOM 622 N ASP A 41 82.667 -3.863 40.023 1.00 0.00 N ATOM 623 CA ASP A 41 82.012 -4.666 41.095 1.00 0.00 C ATOM 624 C ASP A 41 80.499 -4.736 40.870 1.00 0.00 C ATOM 625 O ASP A 41 79.878 -5.757 41.083 1.00 0.00 O ATOM 626 CB ASP A 41 82.291 -4.015 42.452 1.00 0.00 C ATOM 627 CG ASP A 41 83.768 -4.188 42.810 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.444 -4.927 42.112 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.198 -3.578 43.775 1.00 0.00 O ATOM 0 H ASP A 41 83.170 -3.037 40.348 1.00 0.00 H new ATOM 0 HA ASP A 41 82.416 -5.678 41.072 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.036 -2.956 42.418 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.665 -4.469 43.220 1.00 0.00 H new ATOM 634 N LYS A 42 79.897 -3.656 40.457 1.00 0.00 N ATOM 635 CA LYS A 42 78.419 -3.660 40.242 1.00 0.00 C ATOM 636 C LYS A 42 78.037 -4.698 39.182 1.00 0.00 C ATOM 637 O LYS A 42 77.040 -5.381 39.307 1.00 0.00 O ATOM 638 CB LYS A 42 77.973 -2.270 39.774 1.00 0.00 C ATOM 639 CG LYS A 42 78.299 -1.215 40.844 1.00 0.00 C ATOM 640 CD LYS A 42 77.347 -1.344 42.041 1.00 0.00 C ATOM 641 CE LYS A 42 77.464 -0.095 42.917 1.00 0.00 C ATOM 642 NZ LYS A 42 76.470 -0.175 44.026 1.00 0.00 N ATOM 0 H LYS A 42 80.362 -2.770 40.259 1.00 0.00 H new ATOM 0 HA LYS A 42 77.925 -3.915 41.180 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.473 -2.016 38.839 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.902 -2.273 39.572 1.00 0.00 H new ATOM 0 HG2 LYS A 42 79.330 -1.335 41.178 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.218 -0.217 40.414 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.321 -1.463 41.693 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.592 -2.233 42.621 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.473 -0.015 43.323 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.288 0.800 42.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 76.547 0.673 44.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 75.511 -0.232 43.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.658 -1.021 44.600 1.00 0.00 H new ATOM 656 N CYS A 43 78.808 -4.820 38.139 1.00 0.00 N ATOM 657 CA CYS A 43 78.463 -5.813 37.080 1.00 0.00 C ATOM 658 C CYS A 43 78.859 -7.223 37.533 1.00 0.00 C ATOM 659 O CYS A 43 78.292 -8.206 37.098 1.00 0.00 O ATOM 660 CB CYS A 43 79.215 -5.479 35.792 1.00 0.00 C ATOM 661 SG CYS A 43 78.869 -3.776 35.306 1.00 0.00 S ATOM 0 H CYS A 43 79.657 -4.280 37.972 1.00 0.00 H new ATOM 0 HA CYS A 43 77.388 -5.774 36.902 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.286 -5.614 35.940 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.915 -6.162 34.997 1.00 0.00 H new ATOM 666 N GLN A 44 79.844 -7.330 38.382 1.00 0.00 N ATOM 667 CA GLN A 44 80.299 -8.677 38.837 1.00 0.00 C ATOM 668 C GLN A 44 79.329 -9.249 39.880 1.00 0.00 C ATOM 669 O GLN A 44 78.558 -10.145 39.596 1.00 0.00 O ATOM 670 CB GLN A 44 81.699 -8.540 39.445 1.00 0.00 C ATOM 671 CG GLN A 44 82.210 -9.904 39.916 1.00 0.00 C ATOM 672 CD GLN A 44 83.628 -9.749 40.469 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.282 -8.639 40.253 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.146 -10.646 41.103 1.00 0.00 N ATOM 0 H GLN A 44 80.355 -6.543 38.781 1.00 0.00 H new ATOM 0 HA GLN A 44 80.325 -9.359 37.987 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.384 -8.123 38.707 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.672 -7.845 40.284 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.550 -10.307 40.684 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.206 -10.613 39.088 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.635 -11.513 41.271 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.092 -10.533 41.467 1.00 0.00 H new ATOM 683 N LEU A 45 79.361 -8.744 41.081 1.00 0.00 N ATOM 684 CA LEU A 45 78.443 -9.268 42.135 1.00 0.00 C ATOM 685 C LEU A 45 77.009 -8.820 41.822 1.00 0.00 C ATOM 686 O LEU A 45 76.780 -7.705 41.398 1.00 0.00 O ATOM 687 CB LEU A 45 78.863 -8.718 43.500 1.00 0.00 C ATOM 688 CG LEU A 45 80.315 -9.118 43.806 1.00 0.00 C ATOM 689 CD1 LEU A 45 80.720 -8.533 45.162 1.00 0.00 C ATOM 690 CD2 LEU A 45 80.450 -10.653 43.845 1.00 0.00 C ATOM 0 H LEU A 45 79.982 -7.992 41.380 1.00 0.00 H new ATOM 0 HA LEU A 45 78.492 -10.357 42.155 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.767 -7.632 43.509 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.200 -9.103 44.275 1.00 0.00 H new ATOM 0 HG LEU A 45 80.967 -8.729 43.024 1.00 0.00 H new ATOM 0 HD11 LEU A 45 81.749 -8.813 45.386 1.00 0.00 H new ATOM 0 HD12 LEU A 45 80.638 -7.447 45.129 1.00 0.00 H new ATOM 0 HD13 LEU A 45 80.061 -8.923 45.938 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.484 -10.922 44.063 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.799 -11.056 44.621 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.163 -11.068 42.879 1.00 0.00 H new ATOM 702 N LYS A 46 76.041 -9.679 42.023 1.00 0.00 N ATOM 703 CA LYS A 46 74.625 -9.300 41.731 1.00 0.00 C ATOM 704 C LYS A 46 74.001 -8.651 42.973 1.00 0.00 C ATOM 705 O LYS A 46 72.902 -8.133 42.929 1.00 0.00 O ATOM 706 CB LYS A 46 73.825 -10.555 41.365 1.00 0.00 C ATOM 707 CG LYS A 46 74.431 -11.231 40.126 1.00 0.00 C ATOM 708 CD LYS A 46 74.189 -10.380 38.871 1.00 0.00 C ATOM 709 CE LYS A 46 74.410 -11.240 37.624 1.00 0.00 C ATOM 710 NZ LYS A 46 73.265 -12.182 37.461 1.00 0.00 N ATOM 0 H LYS A 46 76.171 -10.627 42.377 1.00 0.00 H new ATOM 0 HA LYS A 46 74.605 -8.595 40.900 1.00 0.00 H new ATOM 0 HB2 LYS A 46 73.824 -11.251 42.204 1.00 0.00 H new ATOM 0 HB3 LYS A 46 72.786 -10.288 41.171 1.00 0.00 H new ATOM 0 HG2 LYS A 46 75.501 -11.377 40.272 1.00 0.00 H new ATOM 0 HG3 LYS A 46 73.990 -12.219 39.992 1.00 0.00 H new ATOM 0 HD2 LYS A 46 73.174 -9.983 38.877 1.00 0.00 H new ATOM 0 HD3 LYS A 46 74.865 -9.525 38.862 1.00 0.00 H new ATOM 0 HE2 LYS A 46 74.501 -10.605 36.743 1.00 0.00 H new ATOM 0 HE3 LYS A 46 75.343 -11.797 37.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 73.187 -12.464 36.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 73.423 -13.026 38.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 72.385 -11.714 37.758 1.00 0.00 H new ATOM 724 N GLY A 47 74.699 -8.672 44.079 1.00 0.00 N ATOM 725 CA GLY A 47 74.162 -8.054 45.334 1.00 0.00 C ATOM 726 C GLY A 47 73.639 -9.142 46.277 1.00 0.00 C ATOM 727 O GLY A 47 73.530 -8.936 47.470 1.00 0.00 O ATOM 0 H GLY A 47 75.624 -9.093 44.170 1.00 0.00 H new ATOM 0 HA2 GLY A 47 74.945 -7.479 45.829 1.00 0.00 H new ATOM 0 HA3 GLY A 47 73.360 -7.357 45.091 1.00 0.00 H new ATOM 731 N GLU A 48 73.325 -10.301 45.766 1.00 0.00 N ATOM 732 CA GLU A 48 72.828 -11.387 46.660 1.00 0.00 C ATOM 733 C GLU A 48 74.010 -11.951 47.450 1.00 0.00 C ATOM 734 O GLU A 48 75.064 -11.351 47.510 1.00 0.00 O ATOM 735 CB GLU A 48 72.188 -12.505 45.830 1.00 0.00 C ATOM 736 CG GLU A 48 70.872 -12.012 45.222 1.00 0.00 C ATOM 737 CD GLU A 48 70.222 -13.146 44.427 1.00 0.00 C ATOM 738 OE1 GLU A 48 70.849 -14.185 44.294 1.00 0.00 O ATOM 739 OE2 GLU A 48 69.108 -12.959 43.968 1.00 0.00 O ATOM 0 H GLU A 48 73.390 -10.543 44.777 1.00 0.00 H new ATOM 0 HA GLU A 48 72.078 -10.983 47.340 1.00 0.00 H new ATOM 0 HB2 GLU A 48 72.869 -12.819 45.039 1.00 0.00 H new ATOM 0 HB3 GLU A 48 72.005 -13.377 46.458 1.00 0.00 H new ATOM 0 HG2 GLU A 48 70.199 -11.674 46.010 1.00 0.00 H new ATOM 0 HG3 GLU A 48 71.057 -11.157 44.572 1.00 0.00 H new ATOM 746 N ALA A 49 73.850 -13.097 48.054 1.00 0.00 N ATOM 747 CA ALA A 49 74.977 -13.688 48.834 1.00 0.00 C ATOM 748 C ALA A 49 75.261 -12.820 50.066 1.00 0.00 C ATOM 749 O ALA A 49 76.387 -12.456 50.333 1.00 0.00 O ATOM 750 CB ALA A 49 76.226 -13.759 47.938 1.00 0.00 C ATOM 0 H ALA A 49 72.992 -13.648 48.042 1.00 0.00 H new ATOM 0 HA ALA A 49 74.712 -14.692 49.165 1.00 0.00 H new ATOM 0 HB1 ALA A 49 77.054 -14.190 48.501 1.00 0.00 H new ATOM 0 HB2 ALA A 49 76.015 -14.382 47.069 1.00 0.00 H new ATOM 0 HB3 ALA A 49 76.495 -12.755 47.608 1.00 0.00 H new ATOM 756 N MET A 50 74.249 -12.480 50.815 1.00 0.00 N ATOM 757 CA MET A 50 74.464 -11.631 52.024 1.00 0.00 C ATOM 758 C MET A 50 73.347 -11.900 53.038 1.00 0.00 C ATOM 759 O MET A 50 72.190 -12.005 52.687 1.00 0.00 O ATOM 760 CB MET A 50 74.450 -10.156 51.610 1.00 0.00 C ATOM 761 CG MET A 50 74.875 -9.281 52.792 1.00 0.00 C ATOM 762 SD MET A 50 74.841 -7.534 52.303 1.00 0.00 S ATOM 763 CE MET A 50 76.491 -7.450 51.560 1.00 0.00 C ATOM 0 H MET A 50 73.281 -12.753 50.643 1.00 0.00 H new ATOM 0 HA MET A 50 75.425 -11.869 52.480 1.00 0.00 H new ATOM 0 HB2 MET A 50 75.125 -9.999 50.768 1.00 0.00 H new ATOM 0 HB3 MET A 50 73.452 -9.872 51.276 1.00 0.00 H new ATOM 0 HG2 MET A 50 74.207 -9.445 53.637 1.00 0.00 H new ATOM 0 HG3 MET A 50 75.877 -9.557 53.120 1.00 0.00 H new ATOM 0 HE1 MET A 50 76.679 -6.436 51.206 1.00 0.00 H new ATOM 0 HE2 MET A 50 77.240 -7.719 52.305 1.00 0.00 H new ATOM 0 HE3 MET A 50 76.548 -8.144 50.721 1.00 0.00 H new ATOM 773 N HIS A 51 73.686 -12.018 54.295 1.00 0.00 N ATOM 774 CA HIS A 51 72.642 -12.288 55.328 1.00 0.00 C ATOM 775 C HIS A 51 71.728 -11.070 55.478 1.00 0.00 C ATOM 776 O HIS A 51 72.077 -9.967 55.105 1.00 0.00 O ATOM 777 CB HIS A 51 73.317 -12.588 56.668 1.00 0.00 C ATOM 778 CG HIS A 51 74.186 -11.426 57.066 1.00 0.00 C ATOM 779 ND1 HIS A 51 75.453 -11.235 56.532 1.00 0.00 N ATOM 780 CD2 HIS A 51 73.990 -10.388 57.946 1.00 0.00 C ATOM 781 CE1 HIS A 51 75.965 -10.122 57.088 1.00 0.00 C ATOM 782 NE2 HIS A 51 75.115 -9.570 57.955 1.00 0.00 N ATOM 0 H HIS A 51 74.639 -11.939 54.651 1.00 0.00 H new ATOM 0 HA HIS A 51 72.045 -13.146 55.018 1.00 0.00 H new ATOM 0 HB2 HIS A 51 72.563 -12.771 57.434 1.00 0.00 H new ATOM 0 HB3 HIS A 51 73.918 -13.494 56.589 1.00 0.00 H new ATOM 0 HD2 HIS A 51 73.101 -10.232 58.538 1.00 0.00 H new ATOM 0 HE1 HIS A 51 76.943 -9.725 56.860 1.00 0.00 H new ATOM 0 HE2 HIS A 51 75.260 -8.725 58.508 1.00 0.00 H new ATOM 790 N GLY A 52 70.554 -11.264 56.021 1.00 0.00 N ATOM 791 CA GLY A 52 69.608 -10.123 56.192 1.00 0.00 C ATOM 792 C GLY A 52 68.599 -10.446 57.298 1.00 0.00 C ATOM 793 O GLY A 52 68.031 -11.519 57.344 1.00 0.00 O ATOM 0 H GLY A 52 70.210 -12.165 56.354 1.00 0.00 H new ATOM 0 HA2 GLY A 52 70.159 -9.217 56.443 1.00 0.00 H new ATOM 0 HA3 GLY A 52 69.085 -9.929 55.256 1.00 0.00 H new ATOM 797 N GLN A 53 68.379 -9.521 58.191 1.00 0.00 N ATOM 798 CA GLN A 53 67.415 -9.756 59.305 1.00 0.00 C ATOM 799 C GLN A 53 67.731 -11.095 59.982 1.00 0.00 C ATOM 800 O GLN A 53 68.865 -11.529 60.008 1.00 0.00 O ATOM 801 CB GLN A 53 65.985 -9.778 58.752 1.00 0.00 C ATOM 802 CG GLN A 53 65.588 -8.373 58.296 1.00 0.00 C ATOM 803 CD GLN A 53 64.158 -8.403 57.755 1.00 0.00 C ATOM 804 OE1 GLN A 53 63.301 -9.057 58.317 1.00 0.00 O ATOM 805 NE2 GLN A 53 63.861 -7.728 56.680 1.00 0.00 N ATOM 0 H GLN A 53 68.829 -8.605 58.197 1.00 0.00 H new ATOM 0 HA GLN A 53 67.503 -8.953 60.037 1.00 0.00 H new ATOM 0 HB2 GLN A 53 65.918 -10.475 57.916 1.00 0.00 H new ATOM 0 HB3 GLN A 53 65.294 -10.131 59.517 1.00 0.00 H new ATOM 0 HG2 GLN A 53 65.659 -7.674 59.129 1.00 0.00 H new ATOM 0 HG3 GLN A 53 66.274 -8.021 57.525 1.00 0.00 H new ATOM 0 HE21 GLN A 53 64.579 -7.179 56.208 1.00 0.00 H new ATOM 0 HE22 GLN A 53 62.910 -7.749 56.311 1.00 0.00 H new ATOM 814 N VAL A 54 66.737 -11.752 60.536 1.00 0.00 N ATOM 815 CA VAL A 54 66.967 -13.063 61.221 1.00 0.00 C ATOM 816 C VAL A 54 66.319 -14.187 60.410 1.00 0.00 C ATOM 817 O VAL A 54 65.152 -14.129 60.077 1.00 0.00 O ATOM 818 CB VAL A 54 66.325 -13.019 62.607 1.00 0.00 C ATOM 819 CG1 VAL A 54 66.556 -14.352 63.319 1.00 0.00 C ATOM 820 CG2 VAL A 54 66.947 -11.884 63.423 1.00 0.00 C ATOM 0 H VAL A 54 65.769 -11.432 60.542 1.00 0.00 H new ATOM 0 HA VAL A 54 68.038 -13.246 61.308 1.00 0.00 H new ATOM 0 HB VAL A 54 65.254 -12.845 62.506 1.00 0.00 H new ATOM 0 HG11 VAL A 54 66.098 -14.321 64.308 1.00 0.00 H new ATOM 0 HG12 VAL A 54 66.108 -15.158 62.737 1.00 0.00 H new ATOM 0 HG13 VAL A 54 67.627 -14.529 63.421 1.00 0.00 H new ATOM 0 HG21 VAL A 54 66.489 -11.853 64.411 1.00 0.00 H new ATOM 0 HG22 VAL A 54 68.019 -12.054 63.525 1.00 0.00 H new ATOM 0 HG23 VAL A 54 66.777 -10.935 62.915 1.00 0.00 H new ATOM 830 N ASP A 55 67.060 -15.217 60.100 1.00 0.00 N ATOM 831 CA ASP A 55 66.476 -16.350 59.323 1.00 0.00 C ATOM 832 C ASP A 55 67.268 -17.626 59.613 1.00 0.00 C ATOM 833 O ASP A 55 68.363 -17.752 59.088 1.00 0.00 O ATOM 834 CB ASP A 55 66.535 -16.038 57.827 1.00 0.00 C ATOM 835 CG ASP A 55 65.833 -17.152 57.049 1.00 0.00 C ATOM 836 OD1 ASP A 55 66.449 -18.186 56.847 1.00 0.00 O ATOM 837 OD2 ASP A 55 64.692 -16.952 56.667 1.00 0.00 O ATOM 838 OXT ASP A 55 66.769 -18.454 60.354 1.00 0.00 O ATOM 0 H ASP A 55 68.043 -15.323 60.350 1.00 0.00 H new ATOM 0 HA ASP A 55 65.436 -16.491 59.617 1.00 0.00 H new ATOM 0 HB2 ASP A 55 66.056 -15.080 57.625 1.00 0.00 H new ATOM 0 HB3 ASP A 55 67.572 -15.950 57.503 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.633 -14.366 21.793 1.00 0.00 N ATOM 845 CA PHE B 1 92.550 -14.058 22.769 1.00 0.00 C ATOM 846 C PHE B 1 91.926 -15.366 23.270 1.00 0.00 C ATOM 847 O PHE B 1 92.354 -15.935 24.255 1.00 0.00 O ATOM 848 CB PHE B 1 91.470 -13.210 22.088 1.00 0.00 C ATOM 849 CG PHE B 1 91.956 -11.785 21.930 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.666 -11.408 20.784 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.685 -10.838 22.928 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.105 -10.085 20.633 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.126 -9.517 22.778 1.00 0.00 C ATOM 854 CZ PHE B 1 92.835 -9.141 21.632 1.00 0.00 C ATOM 0 H1 PHE B 1 93.731 -13.577 21.122 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.530 -14.502 22.301 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.395 -15.235 21.273 1.00 0.00 H new ATOM 0 HA PHE B 1 92.969 -13.506 23.611 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.227 -13.631 21.112 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.555 -13.228 22.680 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.876 -12.137 20.015 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.136 -11.127 23.812 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.651 -9.794 19.748 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.919 -8.788 23.548 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.174 -8.122 21.518 1.00 0.00 H new ATOM 866 N LEU B 2 90.905 -15.838 22.605 1.00 0.00 N ATOM 867 CA LEU B 2 90.238 -17.100 23.043 1.00 0.00 C ATOM 868 C LEU B 2 91.231 -18.264 23.028 1.00 0.00 C ATOM 869 O LEU B 2 91.252 -19.084 23.924 1.00 0.00 O ATOM 870 CB LEU B 2 89.087 -17.424 22.087 1.00 0.00 C ATOM 871 CG LEU B 2 88.041 -16.304 22.114 1.00 0.00 C ATOM 872 CD1 LEU B 2 86.973 -16.592 21.055 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.382 -16.227 23.504 1.00 0.00 C ATOM 0 H LEU B 2 90.503 -15.403 21.775 1.00 0.00 H new ATOM 0 HA LEU B 2 89.862 -16.961 24.057 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.471 -17.548 21.074 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.625 -18.369 22.371 1.00 0.00 H new ATOM 0 HG LEU B 2 88.527 -15.351 21.902 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.225 -15.799 21.068 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.439 -16.635 20.071 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.494 -17.547 21.272 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.641 -15.428 23.511 1.00 0.00 H new ATOM 0 HD22 LEU B 2 86.895 -17.176 23.729 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.143 -16.023 24.257 1.00 0.00 H new ATOM 885 N ASP B 3 92.042 -18.356 22.014 1.00 0.00 N ATOM 886 CA ASP B 3 93.014 -19.482 21.945 1.00 0.00 C ATOM 887 C ASP B 3 94.010 -19.385 23.099 1.00 0.00 C ATOM 888 O ASP B 3 94.375 -20.375 23.702 1.00 0.00 O ATOM 889 CB ASP B 3 93.764 -19.420 20.618 1.00 0.00 C ATOM 890 CG ASP B 3 92.830 -19.849 19.484 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.443 -21.005 19.466 1.00 0.00 O ATOM 892 OD2 ASP B 3 92.519 -19.013 18.651 1.00 0.00 O ATOM 0 H ASP B 3 92.075 -17.703 21.231 1.00 0.00 H new ATOM 0 HA ASP B 3 92.475 -20.426 22.020 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.128 -18.408 20.441 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.637 -20.072 20.651 1.00 0.00 H new ATOM 897 N GLY B 4 94.446 -18.201 23.418 1.00 0.00 N ATOM 898 CA GLY B 4 95.410 -18.044 24.542 1.00 0.00 C ATOM 899 C GLY B 4 94.757 -18.544 25.828 1.00 0.00 C ATOM 900 O GLY B 4 95.385 -19.172 26.658 1.00 0.00 O ATOM 0 H GLY B 4 94.178 -17.335 22.950 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.321 -18.607 24.338 1.00 0.00 H new ATOM 0 HA3 GLY B 4 95.698 -16.998 24.648 1.00 0.00 H new ATOM 904 N ILE B 5 93.497 -18.261 25.999 1.00 0.00 N ATOM 905 CA ILE B 5 92.783 -18.700 27.229 1.00 0.00 C ATOM 906 C ILE B 5 92.661 -20.229 27.269 1.00 0.00 C ATOM 907 O ILE B 5 92.797 -20.839 28.311 1.00 0.00 O ATOM 908 CB ILE B 5 91.384 -18.072 27.234 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.508 -16.566 27.487 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.523 -18.713 28.327 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.158 -15.887 27.235 1.00 0.00 C ATOM 0 H ILE B 5 92.926 -17.740 25.333 1.00 0.00 H new ATOM 0 HA ILE B 5 93.346 -18.379 28.105 1.00 0.00 H new ATOM 0 HB ILE B 5 90.908 -18.243 26.268 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.831 -16.385 28.512 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.268 -16.139 26.833 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.532 -18.260 28.322 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.434 -19.783 28.139 1.00 0.00 H new ATOM 0 HG23 ILE B 5 90.990 -18.553 29.299 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.250 -14.816 27.416 1.00 0.00 H new ATOM 0 HD12 ILE B 5 89.853 -16.056 26.202 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.409 -16.306 27.907 1.00 0.00 H new ATOM 923 N ASP B 6 92.392 -20.853 26.158 1.00 0.00 N ATOM 924 CA ASP B 6 92.249 -22.336 26.170 1.00 0.00 C ATOM 925 C ASP B 6 93.553 -22.973 26.653 1.00 0.00 C ATOM 926 O ASP B 6 93.552 -23.855 27.487 1.00 0.00 O ATOM 927 CB ASP B 6 91.924 -22.837 24.762 1.00 0.00 C ATOM 928 CG ASP B 6 91.776 -24.360 24.787 1.00 0.00 C ATOM 929 OD1 ASP B 6 92.749 -25.027 25.097 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.689 -24.835 24.499 1.00 0.00 O ATOM 0 H ASP B 6 92.266 -20.407 25.250 1.00 0.00 H new ATOM 0 HA ASP B 6 91.439 -22.613 26.845 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.003 -22.377 24.404 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.715 -22.549 24.070 1.00 0.00 H new ATOM 935 N LYS B 7 94.666 -22.532 26.138 1.00 0.00 N ATOM 936 CA LYS B 7 95.965 -23.113 26.576 1.00 0.00 C ATOM 937 C LYS B 7 96.242 -22.692 28.022 1.00 0.00 C ATOM 938 O LYS B 7 96.722 -23.465 28.828 1.00 0.00 O ATOM 939 CB LYS B 7 97.082 -22.586 25.670 1.00 0.00 C ATOM 940 CG LYS B 7 96.919 -23.167 24.264 1.00 0.00 C ATOM 941 CD LYS B 7 98.035 -22.640 23.360 1.00 0.00 C ATOM 942 CE LYS B 7 97.874 -23.219 21.952 1.00 0.00 C ATOM 943 NZ LYS B 7 98.909 -22.634 21.054 1.00 0.00 N ATOM 0 H LYS B 7 94.733 -21.796 25.435 1.00 0.00 H new ATOM 0 HA LYS B 7 95.924 -24.200 26.513 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.049 -21.497 25.631 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.055 -22.861 26.078 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.952 -24.256 24.303 1.00 0.00 H new ATOM 0 HG3 LYS B 7 95.946 -22.892 23.856 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.002 -21.551 23.322 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.008 -22.915 23.768 1.00 0.00 H new ATOM 0 HE2 LYS B 7 97.972 -24.304 21.980 1.00 0.00 H new ATOM 0 HE3 LYS B 7 96.878 -22.999 21.568 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.800 -23.027 20.097 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 98.795 -21.601 21.019 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 99.855 -22.865 21.418 1.00 0.00 H new ATOM 957 N ALA B 8 95.939 -21.467 28.348 1.00 0.00 N ATOM 958 CA ALA B 8 96.170 -20.970 29.735 1.00 0.00 C ATOM 959 C ALA B 8 95.183 -21.627 30.702 1.00 0.00 C ATOM 960 O ALA B 8 95.432 -21.722 31.887 1.00 0.00 O ATOM 961 CB ALA B 8 95.983 -19.452 29.767 1.00 0.00 C ATOM 0 H ALA B 8 95.538 -20.782 27.708 1.00 0.00 H new ATOM 0 HA ALA B 8 97.185 -21.223 30.040 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.151 -19.086 30.780 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.696 -18.983 29.089 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.968 -19.204 29.455 1.00 0.00 H new ATOM 967 N GLN B 9 94.053 -22.057 30.213 1.00 0.00 N ATOM 968 CA GLN B 9 93.043 -22.681 31.114 1.00 0.00 C ATOM 969 C GLN B 9 93.632 -23.933 31.768 1.00 0.00 C ATOM 970 O GLN B 9 94.304 -24.724 31.136 1.00 0.00 O ATOM 971 CB GLN B 9 91.804 -23.066 30.301 1.00 0.00 C ATOM 972 CG GLN B 9 90.694 -23.528 31.248 1.00 0.00 C ATOM 973 CD GLN B 9 89.474 -23.963 30.432 1.00 0.00 C ATOM 974 OE1 GLN B 9 88.619 -24.668 30.928 1.00 0.00 O ATOM 975 NE2 GLN B 9 89.360 -23.575 29.191 1.00 0.00 N ATOM 0 H GLN B 9 93.785 -22.004 29.230 1.00 0.00 H new ATOM 0 HA GLN B 9 92.765 -21.968 31.890 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.463 -22.214 29.713 1.00 0.00 H new ATOM 0 HB3 GLN B 9 92.050 -23.861 29.597 1.00 0.00 H new ATOM 0 HG2 GLN B 9 91.047 -24.356 31.863 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.421 -22.720 31.927 1.00 0.00 H new ATOM 0 HE21 GLN B 9 90.078 -22.983 28.774 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.553 -23.864 28.638 1.00 0.00 H new ATOM 984 N GLU B 10 93.384 -24.113 33.038 1.00 0.00 N ATOM 985 CA GLU B 10 93.921 -25.304 33.755 1.00 0.00 C ATOM 986 C GLU B 10 93.075 -25.549 35.006 1.00 0.00 C ATOM 987 O GLU B 10 92.310 -24.702 35.420 1.00 0.00 O ATOM 988 CB GLU B 10 95.381 -25.046 34.152 1.00 0.00 C ATOM 989 CG GLU B 10 95.996 -26.324 34.732 1.00 0.00 C ATOM 990 CD GLU B 10 97.510 -26.146 34.874 1.00 0.00 C ATOM 991 OE1 GLU B 10 98.158 -25.926 33.865 1.00 0.00 O ATOM 992 OE2 GLU B 10 97.995 -26.236 35.991 1.00 0.00 O ATOM 0 H GLU B 10 92.828 -23.480 33.613 1.00 0.00 H new ATOM 0 HA GLU B 10 93.880 -26.181 33.109 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.951 -24.719 33.282 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.431 -24.242 34.886 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.553 -26.545 35.703 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.779 -27.172 34.082 1.00 0.00 H new ATOM 999 N GLU B 11 93.200 -26.699 35.609 1.00 0.00 N ATOM 1000 CA GLU B 11 92.397 -26.989 36.830 1.00 0.00 C ATOM 1001 C GLU B 11 92.715 -25.954 37.910 1.00 0.00 C ATOM 1002 O GLU B 11 93.793 -25.394 37.950 1.00 0.00 O ATOM 1003 CB GLU B 11 92.741 -28.386 37.351 1.00 0.00 C ATOM 1004 CG GLU B 11 92.192 -29.441 36.391 1.00 0.00 C ATOM 1005 CD GLU B 11 92.571 -30.834 36.894 1.00 0.00 C ATOM 1006 OE1 GLU B 11 93.746 -31.159 36.849 1.00 0.00 O ATOM 1007 OE2 GLU B 11 91.681 -31.551 37.320 1.00 0.00 O ATOM 0 H GLU B 11 93.823 -27.449 35.310 1.00 0.00 H new ATOM 0 HA GLU B 11 91.337 -26.944 36.582 1.00 0.00 H new ATOM 0 HB2 GLU B 11 93.821 -28.494 37.446 1.00 0.00 H new ATOM 0 HB3 GLU B 11 92.317 -28.529 38.345 1.00 0.00 H new ATOM 0 HG2 GLU B 11 91.108 -29.352 36.317 1.00 0.00 H new ATOM 0 HG3 GLU B 11 92.594 -29.282 35.390 1.00 0.00 H new ATOM 1014 N HIS B 12 91.780 -25.691 38.779 1.00 0.00 N ATOM 1015 CA HIS B 12 92.021 -24.685 39.850 1.00 0.00 C ATOM 1016 C HIS B 12 93.159 -25.163 40.748 1.00 0.00 C ATOM 1017 O HIS B 12 92.944 -25.656 41.837 1.00 0.00 O ATOM 1018 CB HIS B 12 90.750 -24.513 40.678 1.00 0.00 C ATOM 1019 CG HIS B 12 90.957 -23.445 41.715 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.807 -22.093 41.430 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.275 -23.515 43.048 1.00 0.00 C ATOM 1022 CE1 HIS B 12 91.024 -21.411 42.574 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.312 -22.233 43.586 1.00 0.00 N ATOM 0 H HIS B 12 90.859 -26.129 38.794 1.00 0.00 H new ATOM 0 HA HIS B 12 92.292 -23.729 39.401 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.916 -24.246 40.029 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.489 -25.455 41.160 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.467 -24.426 43.595 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.971 -20.336 42.660 1.00 0.00 H new ATOM 0 HE2 HIS B 12 91.516 -21.975 44.551 1.00 0.00 H new ATOM 1031 N GLU B 13 94.373 -25.015 40.291 1.00 0.00 N ATOM 1032 CA GLU B 13 95.553 -25.451 41.094 1.00 0.00 C ATOM 1033 C GLU B 13 96.184 -24.229 41.775 1.00 0.00 C ATOM 1034 O GLU B 13 95.551 -23.208 41.948 1.00 0.00 O ATOM 1035 CB GLU B 13 96.572 -26.107 40.162 1.00 0.00 C ATOM 1036 CG GLU B 13 96.019 -27.445 39.662 1.00 0.00 C ATOM 1037 CD GLU B 13 95.983 -28.446 40.818 1.00 0.00 C ATOM 1038 OE1 GLU B 13 96.812 -28.328 41.706 1.00 0.00 O ATOM 1039 OE2 GLU B 13 95.125 -29.314 40.797 1.00 0.00 O ATOM 0 H GLU B 13 94.601 -24.606 39.385 1.00 0.00 H new ATOM 0 HA GLU B 13 95.242 -26.165 41.856 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.784 -25.451 39.318 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.514 -26.264 40.688 1.00 0.00 H new ATOM 0 HG2 GLU B 13 95.017 -27.307 39.255 1.00 0.00 H new ATOM 0 HG3 GLU B 13 96.642 -27.829 38.854 1.00 0.00 H new ATOM 1046 N LYS B 14 97.427 -24.330 42.167 1.00 0.00 N ATOM 1047 CA LYS B 14 98.102 -23.183 42.840 1.00 0.00 C ATOM 1048 C LYS B 14 98.341 -22.059 41.831 1.00 0.00 C ATOM 1049 O LYS B 14 98.357 -20.894 42.176 1.00 0.00 O ATOM 1050 CB LYS B 14 99.446 -23.644 43.401 1.00 0.00 C ATOM 1051 CG LYS B 14 99.211 -24.639 44.536 1.00 0.00 C ATOM 1052 CD LYS B 14 100.556 -25.102 45.098 1.00 0.00 C ATOM 1053 CE LYS B 14 100.314 -26.096 46.235 1.00 0.00 C ATOM 1054 NZ LYS B 14 101.622 -26.549 46.785 1.00 0.00 N ATOM 0 H LYS B 14 98.006 -25.162 42.049 1.00 0.00 H new ATOM 0 HA LYS B 14 97.468 -22.818 43.648 1.00 0.00 H new ATOM 0 HB2 LYS B 14 100.041 -24.108 42.614 1.00 0.00 H new ATOM 0 HB3 LYS B 14 100.013 -22.787 43.766 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.617 -24.175 45.323 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.644 -25.495 44.171 1.00 0.00 H new ATOM 0 HD2 LYS B 14 101.150 -25.568 44.312 1.00 0.00 H new ATOM 0 HD3 LYS B 14 101.125 -24.247 45.462 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.719 -25.629 47.020 1.00 0.00 H new ATOM 0 HE3 LYS B 14 99.745 -26.951 45.870 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 101.458 -27.225 47.558 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 102.174 -27.010 46.033 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 102.149 -25.729 47.148 1.00 0.00 H new ATOM 1068 N TYR B 15 98.537 -22.402 40.591 1.00 0.00 N ATOM 1069 CA TYR B 15 98.786 -21.360 39.557 1.00 0.00 C ATOM 1070 C TYR B 15 97.586 -20.414 39.493 1.00 0.00 C ATOM 1071 O TYR B 15 97.735 -19.226 39.287 1.00 0.00 O ATOM 1072 CB TYR B 15 99.000 -22.031 38.194 1.00 0.00 C ATOM 1073 CG TYR B 15 100.417 -22.553 38.104 1.00 0.00 C ATOM 1074 CD1 TYR B 15 101.454 -21.700 37.705 1.00 0.00 C ATOM 1075 CD2 TYR B 15 100.691 -23.887 38.425 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.765 -22.183 37.625 1.00 0.00 C ATOM 1077 CE2 TYR B 15 102.002 -24.371 38.345 1.00 0.00 C ATOM 1078 CZ TYR B 15 103.040 -23.519 37.945 1.00 0.00 C ATOM 1079 OH TYR B 15 104.334 -23.995 37.865 1.00 0.00 O ATOM 0 H TYR B 15 98.536 -23.362 40.247 1.00 0.00 H new ATOM 0 HA TYR B 15 99.678 -20.790 39.816 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.291 -22.849 38.064 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.813 -21.317 37.392 1.00 0.00 H new ATOM 0 HD1 TYR B 15 101.242 -20.670 37.459 1.00 0.00 H new ATOM 0 HD2 TYR B 15 99.891 -24.543 38.734 1.00 0.00 H new ATOM 0 HE1 TYR B 15 103.565 -21.526 37.317 1.00 0.00 H new ATOM 0 HE2 TYR B 15 102.213 -25.401 38.592 1.00 0.00 H new ATOM 0 HH TYR B 15 104.351 -24.941 38.121 1.00 0.00 H new ATOM 1089 N HIS B 16 96.397 -20.924 39.668 1.00 0.00 N ATOM 1090 CA HIS B 16 95.204 -20.035 39.612 1.00 0.00 C ATOM 1091 C HIS B 16 95.324 -18.964 40.701 1.00 0.00 C ATOM 1092 O HIS B 16 94.998 -17.813 40.484 1.00 0.00 O ATOM 1093 CB HIS B 16 93.932 -20.868 39.846 1.00 0.00 C ATOM 1094 CG HIS B 16 93.483 -21.511 38.560 1.00 0.00 C ATOM 1095 ND1 HIS B 16 92.138 -21.691 38.253 1.00 0.00 N ATOM 1096 CD2 HIS B 16 94.183 -22.011 37.490 1.00 0.00 C ATOM 1097 CE1 HIS B 16 92.074 -22.278 37.043 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.291 -22.492 36.538 1.00 0.00 N ATOM 0 H HIS B 16 96.202 -21.909 39.846 1.00 0.00 H new ATOM 0 HA HIS B 16 95.147 -19.558 38.634 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.125 -21.635 40.596 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.139 -20.231 40.238 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.259 -22.028 37.401 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.154 -22.543 36.544 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.519 -22.919 35.640 1.00 0.00 H new ATOM 1106 N SER B 17 95.792 -19.319 41.866 1.00 0.00 N ATOM 1107 CA SER B 17 95.928 -18.298 42.942 1.00 0.00 C ATOM 1108 C SER B 17 96.879 -17.197 42.468 1.00 0.00 C ATOM 1109 O SER B 17 96.609 -16.021 42.615 1.00 0.00 O ATOM 1110 CB SER B 17 96.500 -18.952 44.201 1.00 0.00 C ATOM 1111 OG SER B 17 97.859 -19.298 43.973 1.00 0.00 O ATOM 0 H SER B 17 96.084 -20.263 42.118 1.00 0.00 H new ATOM 0 HA SER B 17 94.950 -17.873 43.168 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.424 -18.269 45.047 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.924 -19.841 44.457 1.00 0.00 H new ATOM 0 HG SER B 17 97.904 -20.160 43.509 1.00 0.00 H new ATOM 1117 N ASN B 18 97.992 -17.571 41.892 1.00 0.00 N ATOM 1118 CA ASN B 18 98.967 -16.555 41.397 1.00 0.00 C ATOM 1119 C ASN B 18 98.702 -16.275 39.917 1.00 0.00 C ATOM 1120 O ASN B 18 99.267 -16.906 39.046 1.00 0.00 O ATOM 1121 CB ASN B 18 100.389 -17.096 41.563 1.00 0.00 C ATOM 1122 CG ASN B 18 100.745 -17.163 43.051 1.00 0.00 C ATOM 1123 OD1 ASN B 18 101.755 -17.728 43.418 1.00 0.00 O ATOM 1124 ND2 ASN B 18 99.951 -16.613 43.930 1.00 0.00 N ATOM 0 H ASN B 18 98.268 -18.541 41.743 1.00 0.00 H new ATOM 0 HA ASN B 18 98.856 -15.633 41.968 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.466 -18.087 41.116 1.00 0.00 H new ATOM 0 HB3 ASN B 18 101.096 -16.454 41.038 1.00 0.00 H new ATOM 0 HD21 ASN B 18 100.180 -16.659 44.923 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.102 -16.138 43.624 1.00 0.00 H new ATOM 1131 N TRP B 19 97.850 -15.333 39.622 1.00 0.00 N ATOM 1132 CA TRP B 19 97.559 -15.017 38.196 1.00 0.00 C ATOM 1133 C TRP B 19 98.779 -14.351 37.557 1.00 0.00 C ATOM 1134 O TRP B 19 98.998 -14.447 36.365 1.00 0.00 O ATOM 1135 CB TRP B 19 96.341 -14.092 38.094 1.00 0.00 C ATOM 1136 CG TRP B 19 96.623 -12.765 38.728 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.293 -12.421 39.994 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.268 -11.596 38.143 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.686 -11.115 40.221 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.294 -10.563 39.109 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.829 -11.333 36.878 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.851 -9.315 38.832 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.392 -10.079 36.597 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.402 -9.071 37.572 1.00 0.00 C ATOM 0 H TRP B 19 97.344 -14.769 40.305 1.00 0.00 H new ATOM 0 HA TRP B 19 97.337 -15.943 37.666 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.074 -13.950 37.047 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.484 -14.557 38.581 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.802 -13.062 40.711 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.545 -10.619 41.101 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.826 -12.102 36.119 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.856 -8.542 39.587 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.820 -9.889 35.624 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.835 -8.107 37.349 1.00 0.00 H new ATOM 1155 N ARG B 20 99.561 -13.656 38.336 1.00 0.00 N ATOM 1156 CA ARG B 20 100.753 -12.959 37.774 1.00 0.00 C ATOM 1157 C ARG B 20 101.718 -13.968 37.147 1.00 0.00 C ATOM 1158 O ARG B 20 102.281 -13.728 36.097 1.00 0.00 O ATOM 1159 CB ARG B 20 101.474 -12.229 38.907 1.00 0.00 C ATOM 1160 CG ARG B 20 100.619 -11.056 39.380 1.00 0.00 C ATOM 1161 CD ARG B 20 101.342 -10.328 40.515 1.00 0.00 C ATOM 1162 NE ARG B 20 101.593 -11.277 41.655 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.622 -11.922 42.250 1.00 0.00 C ATOM 1164 NH1 ARG B 20 99.374 -11.631 42.001 1.00 0.00 N ATOM 1165 NH2 ARG B 20 100.904 -12.830 43.145 1.00 0.00 N ATOM 0 H ARG B 20 99.426 -13.540 39.340 1.00 0.00 H new ATOM 0 HA ARG B 20 100.426 -12.257 37.007 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.661 -12.914 39.734 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.445 -11.871 38.564 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.433 -10.370 38.553 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.648 -11.414 39.722 1.00 0.00 H new ATOM 0 HD2 ARG B 20 102.287 -9.922 40.154 1.00 0.00 H new ATOM 0 HD3 ARG B 20 100.742 -9.485 40.858 1.00 0.00 H new ATOM 0 HE ARG B 20 102.551 -11.422 41.974 1.00 0.00 H new ATOM 0 HH11 ARG B 20 99.145 -10.893 41.335 1.00 0.00 H new ATOM 0 HH12 ARG B 20 98.627 -12.142 42.472 1.00 0.00 H new ATOM 0 HH21 ARG B 20 101.876 -13.033 43.377 1.00 0.00 H new ATOM 0 HH22 ARG B 20 100.152 -13.336 43.612 1.00 0.00 H new ATOM 1179 N ALA B 21 101.921 -15.092 37.776 1.00 0.00 N ATOM 1180 CA ALA B 21 102.855 -16.101 37.199 1.00 0.00 C ATOM 1181 C ALA B 21 102.336 -16.537 35.830 1.00 0.00 C ATOM 1182 O ALA B 21 103.089 -16.696 34.890 1.00 0.00 O ATOM 1183 CB ALA B 21 102.945 -17.318 38.125 1.00 0.00 C ATOM 0 H ALA B 21 101.484 -15.355 38.659 1.00 0.00 H new ATOM 0 HA ALA B 21 103.847 -15.660 37.095 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.629 -18.051 37.697 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.313 -17.005 39.102 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.957 -17.765 38.235 1.00 0.00 H new ATOM 1189 N MET B 22 101.052 -16.730 35.713 1.00 0.00 N ATOM 1190 CA MET B 22 100.475 -17.152 34.407 1.00 0.00 C ATOM 1191 C MET B 22 100.668 -16.039 33.377 1.00 0.00 C ATOM 1192 O MET B 22 100.995 -16.288 32.234 1.00 0.00 O ATOM 1193 CB MET B 22 98.983 -17.433 34.595 1.00 0.00 C ATOM 1194 CG MET B 22 98.373 -17.905 33.275 1.00 0.00 C ATOM 1195 SD MET B 22 96.695 -18.519 33.573 1.00 0.00 S ATOM 1196 CE MET B 22 96.005 -17.001 34.277 1.00 0.00 C ATOM 0 H MET B 22 100.376 -16.613 36.468 1.00 0.00 H new ATOM 0 HA MET B 22 100.977 -18.052 34.052 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.841 -18.193 35.364 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.475 -16.532 34.939 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.350 -17.084 32.558 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.988 -18.692 32.838 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.916 -17.052 34.256 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.343 -16.891 35.307 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.339 -16.144 33.692 1.00 0.00 H new ATOM 1206 N ALA B 23 100.480 -14.810 33.771 1.00 0.00 N ATOM 1207 CA ALA B 23 100.663 -13.687 32.810 1.00 0.00 C ATOM 1208 C ALA B 23 102.126 -13.635 32.369 1.00 0.00 C ATOM 1209 O ALA B 23 102.431 -13.451 31.207 1.00 0.00 O ATOM 1210 CB ALA B 23 100.292 -12.369 33.494 1.00 0.00 C ATOM 0 H ALA B 23 100.208 -14.535 34.715 1.00 0.00 H new ATOM 0 HA ALA B 23 100.023 -13.840 31.941 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.425 -11.545 32.793 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.251 -12.407 33.816 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.935 -12.215 34.361 1.00 0.00 H new ATOM 1216 N SER B 24 103.033 -13.796 33.292 1.00 0.00 N ATOM 1217 CA SER B 24 104.479 -13.756 32.939 1.00 0.00 C ATOM 1218 C SER B 24 104.831 -14.950 32.049 1.00 0.00 C ATOM 1219 O SER B 24 105.593 -14.833 31.110 1.00 0.00 O ATOM 1220 CB SER B 24 105.317 -13.805 34.219 1.00 0.00 C ATOM 1221 OG SER B 24 105.103 -12.615 34.965 1.00 0.00 O ATOM 0 H SER B 24 102.834 -13.954 34.280 1.00 0.00 H new ATOM 0 HA SER B 24 104.692 -12.834 32.399 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.042 -14.676 34.814 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.374 -13.908 33.972 1.00 0.00 H new ATOM 0 HG SER B 24 104.251 -12.679 35.445 1.00 0.00 H new ATOM 1227 N ASP B 25 104.287 -16.099 32.339 1.00 0.00 N ATOM 1228 CA ASP B 25 104.596 -17.302 31.512 1.00 0.00 C ATOM 1229 C ASP B 25 104.120 -17.089 30.073 1.00 0.00 C ATOM 1230 O ASP B 25 104.783 -17.468 29.127 1.00 0.00 O ATOM 1231 CB ASP B 25 103.895 -18.527 32.105 1.00 0.00 C ATOM 1232 CG ASP B 25 104.584 -18.935 33.408 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.685 -18.466 33.646 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.999 -19.711 34.147 1.00 0.00 O ATOM 0 H ASP B 25 103.642 -16.258 33.113 1.00 0.00 H new ATOM 0 HA ASP B 25 105.674 -17.462 31.510 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.845 -18.302 32.293 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.922 -19.353 31.394 1.00 0.00 H new ATOM 1239 N PHE B 26 102.971 -16.488 29.898 1.00 0.00 N ATOM 1240 CA PHE B 26 102.442 -16.253 28.517 1.00 0.00 C ATOM 1241 C PHE B 26 102.747 -14.820 28.077 1.00 0.00 C ATOM 1242 O PHE B 26 102.413 -14.418 26.981 1.00 0.00 O ATOM 1243 CB PHE B 26 100.925 -16.468 28.513 1.00 0.00 C ATOM 1244 CG PHE B 26 100.623 -17.945 28.628 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.805 -18.608 29.848 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.162 -18.653 27.510 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.527 -19.976 29.951 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.884 -20.021 27.613 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.065 -20.683 28.833 1.00 0.00 C ATOM 0 H PHE B 26 102.374 -16.149 30.652 1.00 0.00 H new ATOM 0 HA PHE B 26 102.919 -16.950 27.828 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.469 -15.927 29.342 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.493 -16.068 27.596 1.00 0.00 H new ATOM 0 HD1 PHE B 26 101.160 -18.063 30.710 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.021 -18.143 26.569 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.669 -20.486 30.892 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.530 -20.566 26.751 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.849 -21.738 28.912 1.00 0.00 H new ATOM 1259 N ASN B 27 103.378 -14.048 28.917 1.00 0.00 N ATOM 1260 CA ASN B 27 103.700 -12.641 28.541 1.00 0.00 C ATOM 1261 C ASN B 27 102.426 -11.920 28.096 1.00 0.00 C ATOM 1262 O ASN B 27 102.410 -11.238 27.091 1.00 0.00 O ATOM 1263 CB ASN B 27 104.725 -12.619 27.405 1.00 0.00 C ATOM 1264 CG ASN B 27 106.027 -13.264 27.878 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.521 -12.950 28.943 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.612 -14.154 27.125 1.00 0.00 N ATOM 0 H ASN B 27 103.685 -14.330 29.848 1.00 0.00 H new ATOM 0 HA ASN B 27 104.121 -12.133 29.409 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.335 -13.155 26.539 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.910 -11.593 27.088 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.484 -14.586 27.430 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.197 -14.418 26.231 1.00 0.00 H new ATOM 1273 N LEU B 28 101.362 -12.060 28.846 1.00 0.00 N ATOM 1274 CA LEU B 28 100.075 -11.379 28.496 1.00 0.00 C ATOM 1275 C LEU B 28 99.755 -10.379 29.611 1.00 0.00 C ATOM 1276 O LEU B 28 100.131 -10.587 30.747 1.00 0.00 O ATOM 1277 CB LEU B 28 98.952 -12.422 28.421 1.00 0.00 C ATOM 1278 CG LEU B 28 99.183 -13.368 27.236 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.248 -14.572 27.369 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.908 -12.643 25.904 1.00 0.00 C ATOM 0 H LEU B 28 101.329 -12.623 29.696 1.00 0.00 H new ATOM 0 HA LEU B 28 100.161 -10.872 27.535 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.914 -12.993 29.349 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.989 -11.923 28.314 1.00 0.00 H new ATOM 0 HG LEU B 28 100.221 -13.700 27.241 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.406 -15.250 26.530 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.458 -15.095 28.302 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.213 -14.231 27.370 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.077 -13.330 25.074 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.874 -12.298 25.884 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.578 -11.788 25.810 1.00 0.00 H new ATOM 1292 N PRO B 29 99.070 -9.305 29.312 1.00 0.00 N ATOM 1293 CA PRO B 29 98.724 -8.296 30.348 1.00 0.00 C ATOM 1294 C PRO B 29 97.696 -8.858 31.338 1.00 0.00 C ATOM 1295 O PRO B 29 97.016 -9.822 31.047 1.00 0.00 O ATOM 1296 CB PRO B 29 98.151 -7.118 29.545 1.00 0.00 C ATOM 1297 CG PRO B 29 97.650 -7.722 28.271 1.00 0.00 C ATOM 1298 CD PRO B 29 98.553 -8.927 27.983 1.00 0.00 C ATOM 0 HA PRO B 29 99.581 -8.002 30.955 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.347 -6.624 30.090 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.915 -6.365 29.351 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.609 -8.031 28.370 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.692 -7.000 27.455 1.00 0.00 H new ATOM 0 HD2 PRO B 29 97.996 -9.743 27.523 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.361 -8.667 27.299 1.00 0.00 H new ATOM 1306 N PRO B 30 97.590 -8.275 32.500 1.00 0.00 N ATOM 1307 CA PRO B 30 96.637 -8.746 33.545 1.00 0.00 C ATOM 1308 C PRO B 30 95.215 -8.892 32.993 1.00 0.00 C ATOM 1309 O PRO B 30 94.392 -9.591 33.544 1.00 0.00 O ATOM 1310 CB PRO B 30 96.703 -7.648 34.638 1.00 0.00 C ATOM 1311 CG PRO B 30 97.447 -6.500 34.019 1.00 0.00 C ATOM 1312 CD PRO B 30 98.351 -7.104 32.951 1.00 0.00 C ATOM 0 HA PRO B 30 96.899 -9.734 33.924 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.703 -7.344 34.948 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.216 -8.012 35.528 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.756 -5.779 33.582 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.032 -5.967 34.768 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.536 -6.404 32.136 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.323 -7.386 33.357 1.00 0.00 H new ATOM 1320 N VAL B 31 94.918 -8.228 31.916 1.00 0.00 N ATOM 1321 CA VAL B 31 93.546 -8.312 31.347 1.00 0.00 C ATOM 1322 C VAL B 31 93.187 -9.762 31.037 1.00 0.00 C ATOM 1323 O VAL B 31 92.174 -10.268 31.478 1.00 0.00 O ATOM 1324 CB VAL B 31 93.497 -7.492 30.053 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.088 -7.525 29.453 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.894 -6.046 30.350 1.00 0.00 C ATOM 0 H VAL B 31 95.566 -7.630 31.403 1.00 0.00 H new ATOM 0 HA VAL B 31 92.832 -7.921 32.072 1.00 0.00 H new ATOM 0 HB VAL B 31 94.194 -7.924 29.335 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.070 -6.938 28.535 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.811 -8.556 29.231 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.379 -7.105 30.166 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.859 -5.463 29.430 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.201 -5.620 31.076 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.905 -6.022 30.756 1.00 0.00 H new ATOM 1336 N VAL B 32 93.996 -10.434 30.276 1.00 0.00 N ATOM 1337 CA VAL B 32 93.679 -11.846 29.936 1.00 0.00 C ATOM 1338 C VAL B 32 93.740 -12.699 31.203 1.00 0.00 C ATOM 1339 O VAL B 32 92.878 -13.516 31.458 1.00 0.00 O ATOM 1340 CB VAL B 32 94.692 -12.363 28.914 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.420 -13.842 28.621 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.565 -11.550 27.621 1.00 0.00 C ATOM 0 H VAL B 32 94.860 -10.070 29.875 1.00 0.00 H new ATOM 0 HA VAL B 32 92.677 -11.905 29.510 1.00 0.00 H new ATOM 0 HB VAL B 32 95.700 -12.257 29.314 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.144 -14.208 27.892 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.510 -14.418 29.542 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.413 -13.954 28.220 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.286 -11.915 26.889 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.556 -11.657 27.222 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.763 -10.499 27.831 1.00 0.00 H new ATOM 1352 N ALA B 33 94.756 -12.515 31.999 1.00 0.00 N ATOM 1353 CA ALA B 33 94.877 -13.310 33.253 1.00 0.00 C ATOM 1354 C ALA B 33 93.705 -12.996 34.186 1.00 0.00 C ATOM 1355 O ALA B 33 93.088 -13.884 34.740 1.00 0.00 O ATOM 1356 CB ALA B 33 96.199 -12.970 33.946 1.00 0.00 C ATOM 0 H ALA B 33 95.509 -11.847 31.835 1.00 0.00 H new ATOM 0 HA ALA B 33 94.859 -14.372 33.009 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.289 -13.551 34.864 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.030 -13.209 33.282 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.221 -11.907 34.186 1.00 0.00 H new ATOM 1362 N LYS B 34 93.385 -11.741 34.360 1.00 0.00 N ATOM 1363 CA LYS B 34 92.246 -11.382 35.250 1.00 0.00 C ATOM 1364 C LYS B 34 90.941 -11.946 34.687 1.00 0.00 C ATOM 1365 O LYS B 34 90.092 -12.409 35.418 1.00 0.00 O ATOM 1366 CB LYS B 34 92.168 -9.860 35.405 1.00 0.00 C ATOM 1367 CG LYS B 34 93.328 -9.390 36.294 1.00 0.00 C ATOM 1368 CD LYS B 34 93.275 -7.870 36.466 1.00 0.00 C ATOM 1369 CE LYS B 34 94.417 -7.415 37.383 1.00 0.00 C ATOM 1370 NZ LYS B 34 94.032 -7.656 38.802 1.00 0.00 N ATOM 0 H LYS B 34 93.863 -10.952 33.925 1.00 0.00 H new ATOM 0 HA LYS B 34 92.405 -11.819 36.236 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.222 -9.379 34.429 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.214 -9.575 35.848 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.271 -9.876 37.268 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.279 -9.681 35.848 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.358 -7.381 35.495 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.315 -7.575 36.890 1.00 0.00 H new ATOM 0 HE2 LYS B 34 95.330 -7.960 37.144 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.626 -6.357 37.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.210 -6.797 39.361 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.022 -7.898 38.851 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 94.595 -8.442 39.186 1.00 0.00 H new ATOM 1384 N GLU B 35 90.759 -11.910 33.398 1.00 0.00 N ATOM 1385 CA GLU B 35 89.490 -12.443 32.828 1.00 0.00 C ATOM 1386 C GLU B 35 89.346 -13.926 33.189 1.00 0.00 C ATOM 1387 O GLU B 35 88.267 -14.389 33.510 1.00 0.00 O ATOM 1388 CB GLU B 35 89.504 -12.292 31.305 1.00 0.00 C ATOM 1389 CG GLU B 35 88.119 -12.643 30.735 1.00 0.00 C ATOM 1390 CD GLU B 35 87.961 -14.163 30.662 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.823 -14.801 30.082 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.981 -14.664 31.188 1.00 0.00 O ATOM 0 H GLU B 35 91.425 -11.539 32.720 1.00 0.00 H new ATOM 0 HA GLU B 35 88.650 -11.884 33.241 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.771 -11.271 31.034 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.262 -12.945 30.872 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.338 -12.216 31.364 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.003 -12.208 29.743 1.00 0.00 H new ATOM 1399 N ILE B 36 90.415 -14.678 33.146 1.00 0.00 N ATOM 1400 CA ILE B 36 90.313 -16.122 33.498 1.00 0.00 C ATOM 1401 C ILE B 36 89.817 -16.235 34.941 1.00 0.00 C ATOM 1402 O ILE B 36 88.995 -17.067 35.266 1.00 0.00 O ATOM 1403 CB ILE B 36 91.686 -16.784 33.360 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.068 -16.846 31.880 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.636 -18.204 33.929 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.547 -17.211 31.748 1.00 0.00 C ATOM 0 H ILE B 36 91.347 -14.356 32.884 1.00 0.00 H new ATOM 0 HA ILE B 36 89.616 -16.625 32.828 1.00 0.00 H new ATOM 0 HB ILE B 36 92.425 -16.202 33.910 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.453 -17.585 31.366 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.876 -15.885 31.404 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.616 -18.671 33.828 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.359 -18.164 34.983 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.897 -18.789 33.382 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.818 -17.255 30.693 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.154 -16.456 32.248 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.725 -18.183 32.209 1.00 0.00 H new ATOM 1418 N VAL B 37 90.301 -15.381 35.801 1.00 0.00 N ATOM 1419 CA VAL B 37 89.852 -15.403 37.220 1.00 0.00 C ATOM 1420 C VAL B 37 88.350 -15.123 37.263 1.00 0.00 C ATOM 1421 O VAL B 37 87.613 -15.723 38.020 1.00 0.00 O ATOM 1422 CB VAL B 37 90.615 -14.321 37.998 1.00 0.00 C ATOM 1423 CG1 VAL B 37 89.959 -14.072 39.367 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.066 -14.780 38.192 1.00 0.00 C ATOM 0 H VAL B 37 90.993 -14.665 35.579 1.00 0.00 H new ATOM 0 HA VAL B 37 90.050 -16.375 37.671 1.00 0.00 H new ATOM 0 HB VAL B 37 90.590 -13.389 37.434 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.515 -13.302 39.902 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.930 -13.743 39.223 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.967 -14.995 39.947 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.618 -14.019 38.744 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.080 -15.715 38.751 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.533 -14.932 37.219 1.00 0.00 H new ATOM 1434 N ALA B 38 87.898 -14.215 36.448 1.00 0.00 N ATOM 1435 CA ALA B 38 86.449 -13.883 36.421 1.00 0.00 C ATOM 1436 C ALA B 38 85.657 -15.109 35.959 1.00 0.00 C ATOM 1437 O ALA B 38 84.591 -15.400 36.466 1.00 0.00 O ATOM 1438 CB ALA B 38 86.213 -12.718 35.458 1.00 0.00 C ATOM 0 H ALA B 38 88.474 -13.685 35.795 1.00 0.00 H new ATOM 0 HA ALA B 38 86.118 -13.596 37.419 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.151 -12.473 35.437 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.779 -11.849 35.793 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.540 -13.001 34.458 1.00 0.00 H new ATOM 1444 N SER B 39 86.163 -15.829 34.994 1.00 0.00 N ATOM 1445 CA SER B 39 85.428 -17.029 34.503 1.00 0.00 C ATOM 1446 C SER B 39 85.495 -18.137 35.557 1.00 0.00 C ATOM 1447 O SER B 39 84.526 -18.829 35.803 1.00 0.00 O ATOM 1448 CB SER B 39 86.054 -17.521 33.197 1.00 0.00 C ATOM 1449 OG SER B 39 85.779 -16.585 32.163 1.00 0.00 O ATOM 0 H SER B 39 87.049 -15.639 34.527 1.00 0.00 H new ATOM 0 HA SER B 39 84.386 -16.764 34.322 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.131 -17.640 33.319 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.653 -18.500 32.934 1.00 0.00 H new ATOM 0 HG SER B 39 86.514 -15.940 32.102 1.00 0.00 H new ATOM 1455 N CYS B 40 86.620 -18.308 36.193 1.00 0.00 N ATOM 1456 CA CYS B 40 86.723 -19.368 37.238 1.00 0.00 C ATOM 1457 C CYS B 40 85.988 -18.894 38.495 1.00 0.00 C ATOM 1458 O CYS B 40 86.402 -17.962 39.156 1.00 0.00 O ATOM 1459 CB CYS B 40 88.191 -19.630 37.571 1.00 0.00 C ATOM 1460 SG CYS B 40 88.315 -21.108 38.613 1.00 0.00 S ATOM 0 H CYS B 40 87.469 -17.764 36.037 1.00 0.00 H new ATOM 0 HA CYS B 40 86.275 -20.291 36.870 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.765 -19.768 36.654 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.618 -18.770 38.087 1.00 0.00 H new ATOM 1465 N ASP B 41 84.889 -19.518 38.816 1.00 0.00 N ATOM 1466 CA ASP B 41 84.109 -19.098 40.015 1.00 0.00 C ATOM 1467 C ASP B 41 84.961 -19.224 41.282 1.00 0.00 C ATOM 1468 O ASP B 41 84.898 -18.391 42.164 1.00 0.00 O ATOM 1469 CB ASP B 41 82.874 -19.991 40.146 1.00 0.00 C ATOM 1470 CG ASP B 41 81.888 -19.669 39.022 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.106 -18.687 38.330 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.931 -20.410 38.871 1.00 0.00 O ATOM 0 H ASP B 41 84.496 -20.304 38.298 1.00 0.00 H new ATOM 0 HA ASP B 41 83.810 -18.057 39.896 1.00 0.00 H new ATOM 0 HB2 ASP B 41 83.165 -21.040 40.099 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.400 -19.834 41.115 1.00 0.00 H new ATOM 1477 N LYS B 42 85.740 -20.262 41.390 1.00 0.00 N ATOM 1478 CA LYS B 42 86.576 -20.445 42.613 1.00 0.00 C ATOM 1479 C LYS B 42 87.540 -19.268 42.785 1.00 0.00 C ATOM 1480 O LYS B 42 87.768 -18.802 43.883 1.00 0.00 O ATOM 1481 CB LYS B 42 87.380 -21.744 42.486 1.00 0.00 C ATOM 1482 CG LYS B 42 86.436 -22.950 42.363 1.00 0.00 C ATOM 1483 CD LYS B 42 85.767 -23.255 43.711 1.00 0.00 C ATOM 1484 CE LYS B 42 85.116 -24.636 43.651 1.00 0.00 C ATOM 1485 NZ LYS B 42 84.553 -24.975 44.989 1.00 0.00 N ATOM 0 H LYS B 42 85.836 -20.993 40.685 1.00 0.00 H new ATOM 0 HA LYS B 42 85.921 -20.493 43.483 1.00 0.00 H new ATOM 0 HB2 LYS B 42 88.030 -21.693 41.612 1.00 0.00 H new ATOM 0 HB3 LYS B 42 88.025 -21.866 43.356 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.674 -22.746 41.611 1.00 0.00 H new ATOM 0 HG3 LYS B 42 86.994 -23.822 42.023 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.506 -23.223 44.512 1.00 0.00 H new ATOM 0 HD3 LYS B 42 85.018 -22.497 43.938 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.327 -24.646 42.899 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.851 -25.384 43.353 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.109 -25.915 44.951 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.316 -24.981 45.695 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 83.840 -24.266 45.255 1.00 0.00 H new ATOM 1499 N CYS B 43 88.114 -18.784 41.719 1.00 0.00 N ATOM 1500 CA CYS B 43 89.065 -17.644 41.845 1.00 0.00 C ATOM 1501 C CYS B 43 88.292 -16.331 42.017 1.00 0.00 C ATOM 1502 O CYS B 43 88.789 -15.378 42.583 1.00 0.00 O ATOM 1503 CB CYS B 43 89.930 -17.548 40.589 1.00 0.00 C ATOM 1504 SG CYS B 43 90.752 -19.127 40.289 1.00 0.00 S ATOM 0 H CYS B 43 87.967 -19.127 40.770 1.00 0.00 H new ATOM 0 HA CYS B 43 89.697 -17.813 42.717 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.313 -17.280 39.731 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.672 -16.758 40.707 1.00 0.00 H new ATOM 1509 N GLN B 44 87.093 -16.265 41.506 1.00 0.00 N ATOM 1510 CA GLN B 44 86.302 -15.005 41.611 1.00 0.00 C ATOM 1511 C GLN B 44 85.718 -14.850 43.020 1.00 0.00 C ATOM 1512 O GLN B 44 86.183 -14.049 43.807 1.00 0.00 O ATOM 1513 CB GLN B 44 85.170 -15.053 40.578 1.00 0.00 C ATOM 1514 CG GLN B 44 84.338 -13.770 40.641 1.00 0.00 C ATOM 1515 CD GLN B 44 83.249 -13.819 39.568 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.336 -13.019 39.576 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.310 -14.731 38.636 1.00 0.00 N ATOM 0 H GLN B 44 86.626 -17.030 41.019 1.00 0.00 H new ATOM 0 HA GLN B 44 86.951 -14.151 41.418 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.586 -15.176 39.578 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.533 -15.917 40.767 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.887 -13.663 41.628 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.977 -12.901 40.487 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.077 -15.403 38.630 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.590 -14.772 37.914 1.00 0.00 H new ATOM 1526 N LEU B 45 84.705 -15.604 43.345 1.00 0.00 N ATOM 1527 CA LEU B 45 84.097 -15.489 44.705 1.00 0.00 C ATOM 1528 C LEU B 45 85.063 -16.078 45.740 1.00 0.00 C ATOM 1529 O LEU B 45 85.696 -17.088 45.506 1.00 0.00 O ATOM 1530 CB LEU B 45 82.777 -16.264 44.740 1.00 0.00 C ATOM 1531 CG LEU B 45 81.816 -15.718 43.672 1.00 0.00 C ATOM 1532 CD1 LEU B 45 80.516 -16.525 43.709 1.00 0.00 C ATOM 1533 CD2 LEU B 45 81.509 -14.232 43.938 1.00 0.00 C ATOM 0 H LEU B 45 84.271 -16.294 42.731 1.00 0.00 H new ATOM 0 HA LEU B 45 83.908 -14.441 44.935 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.964 -17.324 44.565 1.00 0.00 H new ATOM 0 HB3 LEU B 45 82.322 -16.179 45.727 1.00 0.00 H new ATOM 0 HG LEU B 45 82.282 -15.808 42.691 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.829 -16.143 42.954 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.733 -17.574 43.505 1.00 0.00 H new ATOM 0 HD13 LEU B 45 80.059 -16.434 44.694 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.827 -13.859 43.174 1.00 0.00 H new ATOM 0 HD22 LEU B 45 81.047 -14.126 44.920 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.435 -13.658 43.909 1.00 0.00 H new ATOM 1545 N LYS B 46 85.187 -15.453 46.885 1.00 0.00 N ATOM 1546 CA LYS B 46 86.118 -15.978 47.931 1.00 0.00 C ATOM 1547 C LYS B 46 85.378 -16.985 48.817 1.00 0.00 C ATOM 1548 O LYS B 46 85.970 -17.646 49.648 1.00 0.00 O ATOM 1549 CB LYS B 46 86.617 -14.817 48.799 1.00 0.00 C ATOM 1550 CG LYS B 46 87.360 -13.787 47.936 1.00 0.00 C ATOM 1551 CD LYS B 46 88.700 -14.354 47.445 1.00 0.00 C ATOM 1552 CE LYS B 46 89.592 -13.207 46.965 1.00 0.00 C ATOM 1553 NZ LYS B 46 90.105 -12.451 48.143 1.00 0.00 N ATOM 0 H LYS B 46 84.684 -14.603 47.140 1.00 0.00 H new ATOM 0 HA LYS B 46 86.964 -16.467 47.448 1.00 0.00 H new ATOM 0 HB2 LYS B 46 85.775 -14.341 49.301 1.00 0.00 H new ATOM 0 HB3 LYS B 46 87.280 -15.195 49.578 1.00 0.00 H new ATOM 0 HG2 LYS B 46 86.743 -13.508 47.082 1.00 0.00 H new ATOM 0 HG3 LYS B 46 87.534 -12.879 48.514 1.00 0.00 H new ATOM 0 HD2 LYS B 46 89.193 -14.900 48.249 1.00 0.00 H new ATOM 0 HD3 LYS B 46 88.532 -15.063 46.634 1.00 0.00 H new ATOM 0 HE2 LYS B 46 90.424 -13.599 46.380 1.00 0.00 H new ATOM 0 HE3 LYS B 46 89.028 -12.543 46.310 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 90.978 -11.950 47.881 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 89.390 -11.762 48.452 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 90.306 -13.113 48.920 1.00 0.00 H new ATOM 1567 N GLY B 47 84.087 -17.111 48.642 1.00 0.00 N ATOM 1568 CA GLY B 47 83.293 -18.079 49.467 1.00 0.00 C ATOM 1569 C GLY B 47 82.531 -17.334 50.569 1.00 0.00 C ATOM 1570 O GLY B 47 81.548 -17.823 51.087 1.00 0.00 O ATOM 0 H GLY B 47 83.543 -16.583 47.960 1.00 0.00 H new ATOM 0 HA2 GLY B 47 82.592 -18.620 48.832 1.00 0.00 H new ATOM 0 HA3 GLY B 47 83.957 -18.820 49.911 1.00 0.00 H new ATOM 1574 N GLU B 48 82.958 -16.153 50.925 1.00 0.00 N ATOM 1575 CA GLU B 48 82.227 -15.396 51.983 1.00 0.00 C ATOM 1576 C GLU B 48 80.930 -14.846 51.385 1.00 0.00 C ATOM 1577 O GLU B 48 80.501 -15.267 50.329 1.00 0.00 O ATOM 1578 CB GLU B 48 83.087 -14.234 52.491 1.00 0.00 C ATOM 1579 CG GLU B 48 84.269 -14.779 53.296 1.00 0.00 C ATOM 1580 CD GLU B 48 85.100 -13.610 53.833 1.00 0.00 C ATOM 1581 OE1 GLU B 48 84.803 -12.483 53.474 1.00 0.00 O ATOM 1582 OE2 GLU B 48 86.018 -13.864 54.596 1.00 0.00 O ATOM 0 H GLU B 48 83.774 -15.682 50.534 1.00 0.00 H new ATOM 0 HA GLU B 48 82.005 -16.060 52.819 1.00 0.00 H new ATOM 0 HB2 GLU B 48 83.449 -13.643 51.650 1.00 0.00 H new ATOM 0 HB3 GLU B 48 82.487 -13.570 53.113 1.00 0.00 H new ATOM 0 HG2 GLU B 48 83.909 -15.393 54.121 1.00 0.00 H new ATOM 0 HG3 GLU B 48 84.887 -15.420 52.667 1.00 0.00 H new ATOM 1589 N ALA B 49 80.301 -13.911 52.044 1.00 0.00 N ATOM 1590 CA ALA B 49 79.035 -13.344 51.496 1.00 0.00 C ATOM 1591 C ALA B 49 77.937 -14.415 51.522 1.00 0.00 C ATOM 1592 O ALA B 49 77.258 -14.645 50.542 1.00 0.00 O ATOM 1593 CB ALA B 49 79.280 -12.870 50.051 1.00 0.00 C ATOM 0 H ALA B 49 80.607 -13.517 52.934 1.00 0.00 H new ATOM 0 HA ALA B 49 78.714 -12.498 52.104 1.00 0.00 H new ATOM 0 HB1 ALA B 49 78.359 -12.454 49.643 1.00 0.00 H new ATOM 0 HB2 ALA B 49 80.057 -12.105 50.046 1.00 0.00 H new ATOM 0 HB3 ALA B 49 79.598 -13.715 49.440 1.00 0.00 H new ATOM 1599 N MET B 50 77.763 -15.076 52.633 1.00 0.00 N ATOM 1600 CA MET B 50 76.713 -16.135 52.717 1.00 0.00 C ATOM 1601 C MET B 50 76.261 -16.290 54.173 1.00 0.00 C ATOM 1602 O MET B 50 77.065 -16.295 55.085 1.00 0.00 O ATOM 1603 CB MET B 50 77.295 -17.456 52.208 1.00 0.00 C ATOM 1604 CG MET B 50 76.181 -18.502 52.087 1.00 0.00 C ATOM 1605 SD MET B 50 76.875 -20.070 51.500 1.00 0.00 S ATOM 1606 CE MET B 50 76.827 -19.716 49.724 1.00 0.00 C ATOM 0 H MET B 50 78.301 -14.930 53.487 1.00 0.00 H new ATOM 0 HA MET B 50 75.854 -15.857 52.106 1.00 0.00 H new ATOM 0 HB2 MET B 50 77.771 -17.305 51.239 1.00 0.00 H new ATOM 0 HB3 MET B 50 78.067 -17.811 52.891 1.00 0.00 H new ATOM 0 HG2 MET B 50 75.698 -18.646 53.053 1.00 0.00 H new ATOM 0 HG3 MET B 50 75.414 -18.152 51.396 1.00 0.00 H new ATOM 0 HE1 MET B 50 77.218 -20.570 49.172 1.00 0.00 H new ATOM 0 HE2 MET B 50 75.798 -19.527 49.418 1.00 0.00 H new ATOM 0 HE3 MET B 50 77.436 -18.837 49.512 1.00 0.00 H new ATOM 1616 N HIS B 51 74.979 -16.409 54.400 1.00 0.00 N ATOM 1617 CA HIS B 51 74.477 -16.554 55.799 1.00 0.00 C ATOM 1618 C HIS B 51 74.912 -17.905 56.372 1.00 0.00 C ATOM 1619 O HIS B 51 75.246 -18.821 55.647 1.00 0.00 O ATOM 1620 CB HIS B 51 72.947 -16.465 55.804 1.00 0.00 C ATOM 1621 CG HIS B 51 72.378 -17.533 54.911 1.00 0.00 C ATOM 1622 ND1 HIS B 51 72.329 -17.392 53.532 1.00 0.00 N ATOM 1623 CD2 HIS B 51 71.828 -18.762 55.183 1.00 0.00 C ATOM 1624 CE1 HIS B 51 71.766 -18.506 53.029 1.00 0.00 C ATOM 1625 NE2 HIS B 51 71.444 -19.370 53.993 1.00 0.00 N ATOM 0 H HIS B 51 74.258 -16.412 53.678 1.00 0.00 H new ATOM 0 HA HIS B 51 74.892 -15.755 56.413 1.00 0.00 H new ATOM 0 HB2 HIS B 51 72.569 -16.586 56.819 1.00 0.00 H new ATOM 0 HB3 HIS B 51 72.628 -15.481 55.460 1.00 0.00 H new ATOM 0 HD2 HIS B 51 71.712 -19.190 56.168 1.00 0.00 H new ATOM 0 HE1 HIS B 51 71.596 -18.679 51.977 1.00 0.00 H new ATOM 0 HE2 HIS B 51 71.008 -20.285 53.881 1.00 0.00 H new ATOM 1633 N GLY B 52 74.915 -18.031 57.674 1.00 0.00 N ATOM 1634 CA GLY B 52 75.334 -19.318 58.302 1.00 0.00 C ATOM 1635 C GLY B 52 74.746 -19.423 59.712 1.00 0.00 C ATOM 1636 O GLY B 52 74.803 -18.494 60.493 1.00 0.00 O ATOM 0 H GLY B 52 74.645 -17.297 58.329 1.00 0.00 H new ATOM 0 HA2 GLY B 52 74.996 -20.157 57.694 1.00 0.00 H new ATOM 0 HA3 GLY B 52 76.422 -19.374 58.347 1.00 0.00 H new ATOM 1640 N GLN B 53 74.177 -20.551 60.038 1.00 0.00 N ATOM 1641 CA GLN B 53 73.574 -20.737 61.389 1.00 0.00 C ATOM 1642 C GLN B 53 72.646 -19.555 61.702 1.00 0.00 C ATOM 1643 O GLN B 53 72.067 -18.965 60.812 1.00 0.00 O ATOM 1644 CB GLN B 53 74.686 -20.816 62.442 1.00 0.00 C ATOM 1645 CG GLN B 53 75.461 -22.123 62.272 1.00 0.00 C ATOM 1646 CD GLN B 53 76.561 -22.200 63.333 1.00 0.00 C ATOM 1647 OE1 GLN B 53 76.342 -21.843 64.473 1.00 0.00 O ATOM 1648 NE2 GLN B 53 77.743 -22.646 63.006 1.00 0.00 N ATOM 0 H GLN B 53 74.103 -21.359 59.420 1.00 0.00 H new ATOM 0 HA GLN B 53 72.998 -21.662 61.406 1.00 0.00 H new ATOM 0 HB2 GLN B 53 75.360 -19.966 62.338 1.00 0.00 H new ATOM 0 HB3 GLN B 53 74.257 -20.763 63.443 1.00 0.00 H new ATOM 0 HG2 GLN B 53 74.787 -22.974 62.368 1.00 0.00 H new ATOM 0 HG3 GLN B 53 75.898 -22.173 61.275 1.00 0.00 H new ATOM 0 HE21 GLN B 53 77.928 -22.946 62.049 1.00 0.00 H new ATOM 0 HE22 GLN B 53 78.482 -22.695 63.708 1.00 0.00 H new ATOM 1657 N VAL B 54 72.496 -19.211 62.960 1.00 0.00 N ATOM 1658 CA VAL B 54 71.602 -18.073 63.345 1.00 0.00 C ATOM 1659 C VAL B 54 72.448 -16.912 63.871 1.00 0.00 C ATOM 1660 O VAL B 54 73.260 -17.079 64.759 1.00 0.00 O ATOM 1661 CB VAL B 54 70.656 -18.537 64.452 1.00 0.00 C ATOM 1662 CG1 VAL B 54 69.736 -17.383 64.853 1.00 0.00 C ATOM 1663 CG2 VAL B 54 69.817 -19.714 63.947 1.00 0.00 C ATOM 0 H VAL B 54 72.959 -19.674 63.742 1.00 0.00 H new ATOM 0 HA VAL B 54 71.032 -17.746 62.475 1.00 0.00 H new ATOM 0 HB VAL B 54 71.236 -18.854 65.319 1.00 0.00 H new ATOM 0 HG11 VAL B 54 69.061 -17.713 65.643 1.00 0.00 H new ATOM 0 HG12 VAL B 54 70.336 -16.548 65.214 1.00 0.00 H new ATOM 0 HG13 VAL B 54 69.154 -17.064 63.988 1.00 0.00 H new ATOM 0 HG21 VAL B 54 69.142 -20.045 64.736 1.00 0.00 H new ATOM 0 HG22 VAL B 54 69.235 -19.401 63.080 1.00 0.00 H new ATOM 0 HG23 VAL B 54 70.475 -20.535 63.664 1.00 0.00 H new ATOM 1673 N ASP B 55 72.258 -15.734 63.343 1.00 0.00 N ATOM 1674 CA ASP B 55 73.044 -14.561 63.828 1.00 0.00 C ATOM 1675 C ASP B 55 72.262 -13.277 63.550 1.00 0.00 C ATOM 1676 O ASP B 55 72.236 -12.859 62.404 1.00 0.00 O ATOM 1677 CB ASP B 55 74.391 -14.507 63.107 1.00 0.00 C ATOM 1678 CG ASP B 55 75.234 -13.372 63.692 1.00 0.00 C ATOM 1679 OD1 ASP B 55 74.997 -12.234 63.322 1.00 0.00 O ATOM 1680 OD2 ASP B 55 76.101 -13.660 64.500 1.00 0.00 O ATOM 1681 OXT ASP B 55 71.703 -12.732 64.487 1.00 0.00 O ATOM 0 H ASP B 55 71.593 -15.532 62.597 1.00 0.00 H new ATOM 0 HA ASP B 55 73.216 -14.659 64.900 1.00 0.00 H new ATOM 0 HB2 ASP B 55 74.914 -15.457 63.217 1.00 0.00 H new ATOM 0 HB3 ASP B 55 74.239 -14.349 62.039 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.350 -1.656 35.779 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.415 -21.196 39.537 1.00 0.00 ZN