USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 852 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 43 SER OG : rot -103:sc= 1.29 USER MOD Set 1.2: B 44 THR OG1 : rot 77:sc= 2.15 USER MOD Set 2.1: A 17 CYS SG : rot -150:sc= 0.347 USER MOD Set 2.2: A 46 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 44 THR OG1 : rot 28:sc= 2.05 USER MOD Set 3.2: B 8 GLN : amide:sc= 0.501 K(o=5.5,f=3) USER MOD Set 3.3: B 29 SER OG : rot 180:sc= 1.8 USER MOD Set 3.4: B 30 SER OG : rot 88:sc= 1.11 USER MOD Set 4.1: A 38 GLN : amide:sc= 0.0591 K(o=1.3,f=0.026) USER MOD Set 4.2: A 39 GLN : amide:sc= 1.2 K(o=1.3,f=0.026) USER MOD Set 5.1: A 8 GLN : amide:sc= 0.31 K(o=0.94,f=0.44) USER MOD Set 5.2: A 30 SER OG : rot 180:sc= 0.633 USER MOD Single : A 1 GLY N :NH3+ 174:sc= 0.968 (180deg=0.783) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 0.884 K(o=0.88,f=-3.3!) USER MOD Single : A 4 MET CE :methyl -157:sc= 0 (180deg=-0.612) USER MOD Single : A 10 HIS : no HE2:sc= -0.478 K(o=-0.48,f=-2.5!) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 1.32 (180deg=1.12) USER MOD Single : A 14 CYS SG : rot -173:sc= 2.37 USER MOD Single : A 16 CYS SG : rot 145:sc= -0.447 USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 0.566 (180deg=0.536) USER MOD Single : A 26 THR OG1 : rot 81:sc= 1.16 USER MOD Single : A 29 SER OG : rot 174:sc= 0.898 USER MOD Single : A 36 THR OG1 : rot 79:sc= 1.28 USER MOD Single : A 43 SER OG : rot -100:sc= 1 USER MOD Single : A 54 THR OG1 : rot 91:sc= 1.22 USER MOD Single : A 55 ASN : amide:sc= 1.15 K(o=1.1,f=-0.039) USER MOD Single : A 56 GLN : amide:sc= 0.995 K(o=0.99,f=-6.8!) USER MOD Single : B 1 GLY N :NH3+ 165:sc= 1.16 (180deg=1.05) USER MOD Single : B 2 SER OG : rot 180:sc= 0.00303 USER MOD Single : B 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 10 HIS : no HE2:sc= -0.486 K(o=-0.49,f=-2!) USER MOD Single : B 11 LYS NZ :NH3+ 168:sc= 1.2 (180deg=0.947) USER MOD Single : B 14 CYS SG : rot 168:sc= 1.33 USER MOD Single : B 16 CYS SG : rot -163:sc= -1.63! USER MOD Single : B 17 CYS SG : rot -144:sc= 0.115 USER MOD Single : B 18 LYS NZ :NH3+ 156:sc= 0.742 (180deg=0.173) USER MOD Single : B 26 THR OG1 : rot -130:sc= 0 USER MOD Single : B 36 THR OG1 : rot 94:sc= 1.24 USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 39 GLN : amide:sc= 1.14 K(o=1.1,f=-0.038) USER MOD Single : B 46 SER OG : rot -3:sc= 0.976 USER MOD Single : B 54 THR OG1 : rot 61:sc= 1.09 USER MOD Single : B 55 ASN : amide:sc= -0.426 K(o=-0.43,f=-2.8!) USER MOD Single : B 56 GLN : amide:sc= 1.85 K(o=1.9,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.842 9.071 -2.355 1.00 0.00 N ATOM 2 CA GLY A 1 -19.284 9.332 -2.220 1.00 0.00 C ATOM 3 C GLY A 1 -19.897 8.326 -1.256 1.00 0.00 C ATOM 4 O GLY A 1 -19.324 7.256 -1.074 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.444 9.692 -3.089 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.369 9.259 -1.448 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.693 8.077 -2.624 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.448 10.346 -1.856 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.769 9.261 -3.193 1.00 0.00 H new ATOM 8 N SER A 2 -21.047 8.657 -0.655 1.00 0.00 N ATOM 9 CA SER A 2 -21.553 7.958 0.532 1.00 0.00 C ATOM 10 C SER A 2 -22.852 7.175 0.298 1.00 0.00 C ATOM 11 O SER A 2 -23.327 6.513 1.217 1.00 0.00 O ATOM 12 CB SER A 2 -21.748 8.978 1.662 1.00 0.00 C ATOM 13 OG SER A 2 -20.613 9.817 1.790 1.00 0.00 O ATOM 0 H SER A 2 -21.650 9.414 -0.977 1.00 0.00 H new ATOM 0 HA SER A 2 -20.807 7.210 0.799 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.632 9.584 1.462 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.926 8.455 2.602 1.00 0.00 H new ATOM 0 HG SER A 2 -20.761 10.460 2.515 1.00 0.00 H new ATOM 19 N HIS A 3 -23.442 7.239 -0.904 1.00 0.00 N ATOM 20 CA HIS A 3 -24.706 6.558 -1.212 1.00 0.00 C ATOM 21 C HIS A 3 -24.517 5.038 -1.411 1.00 0.00 C ATOM 22 O HIS A 3 -25.499 4.299 -1.502 1.00 0.00 O ATOM 23 CB HIS A 3 -25.358 7.232 -2.437 1.00 0.00 C ATOM 24 CG HIS A 3 -26.855 7.031 -2.548 1.00 0.00 C ATOM 25 ND1 HIS A 3 -27.534 5.851 -2.354 1.00 0.00 N ATOM 26 CD2 HIS A 3 -27.785 7.989 -2.857 1.00 0.00 C ATOM 27 CE1 HIS A 3 -28.843 6.090 -2.539 1.00 0.00 C ATOM 28 NE2 HIS A 3 -29.044 7.381 -2.848 1.00 0.00 N ATOM 0 H HIS A 3 -23.056 7.764 -1.689 1.00 0.00 H new ATOM 0 HA HIS A 3 -25.377 6.658 -0.359 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -25.151 8.301 -2.399 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -24.885 6.847 -3.341 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -27.117 4.952 -2.112 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -27.582 9.028 -3.070 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -29.623 5.348 -2.452 1.00 0.00 H new ATOM 36 N MET A 4 -23.271 4.557 -1.463 1.00 0.00 N ATOM 37 CA MET A 4 -22.910 3.149 -1.509 1.00 0.00 C ATOM 38 C MET A 4 -21.657 2.988 -0.650 1.00 0.00 C ATOM 39 O MET A 4 -20.849 3.915 -0.566 1.00 0.00 O ATOM 40 CB MET A 4 -22.644 2.740 -2.970 1.00 0.00 C ATOM 41 CG MET A 4 -22.450 1.231 -3.162 1.00 0.00 C ATOM 42 SD MET A 4 -23.946 0.253 -2.857 1.00 0.00 S ATOM 43 CE MET A 4 -23.320 -1.395 -3.274 1.00 0.00 C ATOM 0 H MET A 4 -22.456 5.170 -1.474 1.00 0.00 H new ATOM 0 HA MET A 4 -23.707 2.510 -1.129 1.00 0.00 H new ATOM 0 HB2 MET A 4 -23.478 3.072 -3.588 1.00 0.00 H new ATOM 0 HB3 MET A 4 -21.755 3.260 -3.328 1.00 0.00 H new ATOM 0 HG2 MET A 4 -22.108 1.045 -4.180 1.00 0.00 H new ATOM 0 HG3 MET A 4 -21.661 0.888 -2.493 1.00 0.00 H new ATOM 0 HE1 MET A 4 -24.154 -2.044 -3.541 1.00 0.00 H new ATOM 0 HE2 MET A 4 -22.633 -1.321 -4.117 1.00 0.00 H new ATOM 0 HE3 MET A 4 -22.796 -1.813 -2.415 1.00 0.00 H new ATOM 53 N ALA A 5 -21.478 1.808 -0.056 1.00 0.00 N ATOM 54 CA ALA A 5 -20.229 1.345 0.516 1.00 0.00 C ATOM 55 C ALA A 5 -20.216 -0.173 0.358 1.00 0.00 C ATOM 56 O ALA A 5 -21.277 -0.800 0.382 1.00 0.00 O ATOM 57 CB ALA A 5 -20.137 1.746 1.993 1.00 0.00 C ATOM 0 H ALA A 5 -22.232 1.128 0.040 1.00 0.00 H new ATOM 0 HA ALA A 5 -19.372 1.792 0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -19.194 1.391 2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -20.186 2.831 2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -20.966 1.301 2.543 1.00 0.00 H new ATOM 63 N GLU A 6 -19.026 -0.755 0.206 1.00 0.00 N ATOM 64 CA GLU A 6 -18.813 -2.187 0.036 1.00 0.00 C ATOM 65 C GLU A 6 -17.565 -2.568 0.850 1.00 0.00 C ATOM 66 O GLU A 6 -16.690 -1.712 1.036 1.00 0.00 O ATOM 67 CB GLU A 6 -18.659 -2.522 -1.461 1.00 0.00 C ATOM 68 CG GLU A 6 -19.975 -2.309 -2.224 1.00 0.00 C ATOM 69 CD GLU A 6 -19.875 -2.669 -3.706 1.00 0.00 C ATOM 70 OE1 GLU A 6 -19.885 -3.883 -4.007 1.00 0.00 O ATOM 71 OE2 GLU A 6 -19.837 -1.719 -4.520 1.00 0.00 O ATOM 0 H GLU A 6 -18.157 -0.222 0.198 1.00 0.00 H new ATOM 0 HA GLU A 6 -19.665 -2.763 0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.880 -1.897 -1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.336 -3.557 -1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -20.757 -2.911 -1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -20.278 -1.266 -2.129 1.00 0.00 H new ATOM 78 N PRO A 7 -17.471 -3.811 1.365 1.00 0.00 N ATOM 79 CA PRO A 7 -16.430 -4.237 2.300 1.00 0.00 C ATOM 80 C PRO A 7 -15.098 -4.503 1.580 1.00 0.00 C ATOM 81 O PRO A 7 -14.561 -5.612 1.623 1.00 0.00 O ATOM 82 CB PRO A 7 -17.018 -5.476 2.990 1.00 0.00 C ATOM 83 CG PRO A 7 -17.848 -6.113 1.878 1.00 0.00 C ATOM 84 CD PRO A 7 -18.429 -4.893 1.165 1.00 0.00 C ATOM 0 HA PRO A 7 -16.176 -3.471 3.032 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -16.239 -6.148 3.350 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -17.631 -5.208 3.851 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.236 -6.721 1.211 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -18.629 -6.762 2.274 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -18.573 -5.094 0.103 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -19.404 -4.630 1.575 1.00 0.00 H new ATOM 92 N GLN A 8 -14.563 -3.472 0.918 1.00 0.00 N ATOM 93 CA GLN A 8 -13.302 -3.490 0.202 1.00 0.00 C ATOM 94 C GLN A 8 -12.452 -2.301 0.646 1.00 0.00 C ATOM 95 O GLN A 8 -11.324 -2.522 1.073 1.00 0.00 O ATOM 96 CB GLN A 8 -13.518 -3.513 -1.323 1.00 0.00 C ATOM 97 CG GLN A 8 -13.773 -4.917 -1.906 1.00 0.00 C ATOM 98 CD GLN A 8 -15.081 -5.574 -1.461 1.00 0.00 C ATOM 99 OE1 GLN A 8 -16.123 -4.934 -1.395 1.00 0.00 O ATOM 100 NE2 GLN A 8 -15.071 -6.866 -1.153 1.00 0.00 N ATOM 0 H GLN A 8 -15.026 -2.564 0.870 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.766 -4.407 0.445 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.364 -2.871 -1.568 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.642 -3.084 -1.809 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.770 -4.848 -2.994 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.944 -5.567 -1.626 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.202 -7.397 -1.209 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.933 -7.327 -0.861 1.00 0.00 H new ATOM 109 N ARG A 9 -12.950 -1.057 0.558 1.00 0.00 N ATOM 110 CA ARG A 9 -12.235 0.144 1.001 1.00 0.00 C ATOM 111 C ARG A 9 -11.878 -0.007 2.477 1.00 0.00 C ATOM 112 O ARG A 9 -12.737 0.212 3.331 1.00 0.00 O ATOM 113 CB ARG A 9 -13.078 1.410 0.726 1.00 0.00 C ATOM 114 CG ARG A 9 -12.354 2.725 0.992 1.00 0.00 C ATOM 115 CD ARG A 9 -12.258 3.189 2.457 1.00 0.00 C ATOM 116 NE ARG A 9 -11.400 4.379 2.586 1.00 0.00 N ATOM 117 CZ ARG A 9 -11.758 5.651 2.772 1.00 0.00 C ATOM 118 NH1 ARG A 9 -13.036 5.956 2.996 1.00 0.00 N ATOM 119 NH2 ARG A 9 -10.797 6.576 2.750 1.00 0.00 N ATOM 0 H ARG A 9 -13.873 -0.858 0.172 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.309 0.259 0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.405 1.394 -0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -13.976 1.374 1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.342 2.640 0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.854 3.508 0.421 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.255 3.414 2.836 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.859 2.382 3.071 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.396 4.208 2.525 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.739 5.218 3.025 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.311 6.928 3.138 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.827 6.300 2.595 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.032 7.559 2.888 1.00 0.00 H new ATOM 133 N HIS A 10 -10.628 -0.361 2.785 1.00 0.00 N ATOM 134 CA HIS A 10 -10.198 -0.737 4.125 1.00 0.00 C ATOM 135 C HIS A 10 -8.896 -0.026 4.485 1.00 0.00 C ATOM 136 O HIS A 10 -8.047 0.231 3.635 1.00 0.00 O ATOM 137 CB HIS A 10 -10.020 -2.254 4.220 1.00 0.00 C ATOM 138 CG HIS A 10 -11.262 -3.110 4.113 1.00 0.00 C ATOM 139 ND1 HIS A 10 -11.312 -4.429 3.731 1.00 0.00 N ATOM 140 CD2 HIS A 10 -12.545 -2.729 4.375 1.00 0.00 C ATOM 141 CE1 HIS A 10 -12.593 -4.826 3.800 1.00 0.00 C ATOM 142 NE2 HIS A 10 -13.386 -3.825 4.201 1.00 0.00 N ATOM 0 H HIS A 10 -9.877 -0.393 2.095 1.00 0.00 H new ATOM 0 HA HIS A 10 -10.967 -0.432 4.835 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -9.330 -2.562 3.434 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -9.538 -2.477 5.172 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -10.519 -5.003 3.446 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -12.858 -1.738 4.670 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -12.938 -5.822 3.563 1.00 0.00 H new ATOM 150 N LYS A 11 -8.736 0.290 5.771 1.00 0.00 N ATOM 151 CA LYS A 11 -7.828 1.321 6.237 1.00 0.00 C ATOM 152 C LYS A 11 -6.943 0.806 7.345 1.00 0.00 C ATOM 153 O LYS A 11 -7.324 0.827 8.515 1.00 0.00 O ATOM 154 CB LYS A 11 -8.626 2.556 6.646 1.00 0.00 C ATOM 155 CG LYS A 11 -8.894 3.381 5.388 1.00 0.00 C ATOM 156 CD LYS A 11 -9.982 4.434 5.540 1.00 0.00 C ATOM 157 CE LYS A 11 -9.876 5.262 6.813 1.00 0.00 C ATOM 158 NZ LYS A 11 -10.245 6.677 6.590 1.00 0.00 N ATOM 0 H LYS A 11 -9.244 -0.174 6.524 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.159 1.610 5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.564 2.265 7.118 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.071 3.144 7.377 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.969 3.874 5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.171 2.705 4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.947 5.103 4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.954 3.941 5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.525 4.835 7.578 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.856 5.210 7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.389 7.147 7.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.482 7.157 6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.123 6.723 6.035 1.00 0.00 H new ATOM 172 N ILE A 12 -5.745 0.376 6.961 1.00 0.00 N ATOM 173 CA ILE A 12 -4.698 0.112 7.930 1.00 0.00 C ATOM 174 C ILE A 12 -3.991 1.445 8.138 1.00 0.00 C ATOM 175 O ILE A 12 -3.108 1.814 7.376 1.00 0.00 O ATOM 176 CB ILE A 12 -3.765 -1.028 7.477 1.00 0.00 C ATOM 177 CG1 ILE A 12 -4.606 -2.300 7.231 1.00 0.00 C ATOM 178 CG2 ILE A 12 -2.699 -1.252 8.570 1.00 0.00 C ATOM 179 CD1 ILE A 12 -3.815 -3.465 6.645 1.00 0.00 C ATOM 0 H ILE A 12 -5.480 0.205 5.991 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.097 -0.252 8.877 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.258 -0.775 6.546 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.052 -2.616 8.174 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.426 -2.056 6.556 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.029 -2.056 8.266 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.125 -0.336 8.712 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.188 -1.522 9.506 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.477 -4.319 6.502 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.391 -3.170 5.685 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.011 -3.739 7.328 1.00 0.00 H new ATOM 191 N LEU A 13 -4.389 2.201 9.156 1.00 0.00 N ATOM 192 CA LEU A 13 -3.564 3.277 9.659 1.00 0.00 C ATOM 193 C LEU A 13 -2.288 2.656 10.210 1.00 0.00 C ATOM 194 O LEU A 13 -2.310 2.031 11.269 1.00 0.00 O ATOM 195 CB LEU A 13 -4.322 4.141 10.671 1.00 0.00 C ATOM 196 CG LEU A 13 -3.529 5.417 11.032 1.00 0.00 C ATOM 197 CD1 LEU A 13 -4.519 6.547 11.319 1.00 0.00 C ATOM 198 CD2 LEU A 13 -2.606 5.239 12.247 1.00 0.00 C ATOM 0 H LEU A 13 -5.277 2.083 9.644 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.296 3.971 8.862 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.292 4.419 10.259 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.513 3.562 11.575 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.889 5.649 10.180 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.972 7.454 11.575 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.129 6.729 10.435 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.163 6.264 12.152 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.080 6.173 12.444 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.201 4.966 13.119 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.881 4.451 12.041 1.00 0.00 H new ATOM 210 N CYS A 14 -1.200 2.797 9.455 1.00 0.00 N ATOM 211 CA CYS A 14 0.121 2.337 9.834 1.00 0.00 C ATOM 212 C CYS A 14 1.055 3.542 9.973 1.00 0.00 C ATOM 213 O CYS A 14 0.617 4.698 9.953 1.00 0.00 O ATOM 214 CB CYS A 14 0.610 1.298 8.814 1.00 0.00 C ATOM 215 SG CYS A 14 1.688 0.116 9.668 1.00 0.00 S ATOM 0 H CYS A 14 -1.221 3.247 8.540 1.00 0.00 H new ATOM 0 HA CYS A 14 0.101 1.840 10.804 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.238 0.781 8.364 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.151 1.788 8.004 1.00 0.00 H new ATOM 0 HG CYS A 14 2.226 -0.687 8.799 1.00 0.00 H new ATOM 221 N VAL A 15 2.350 3.266 10.116 1.00 0.00 N ATOM 222 CA VAL A 15 3.396 4.272 10.162 1.00 0.00 C ATOM 223 C VAL A 15 4.433 3.976 9.084 1.00 0.00 C ATOM 224 O VAL A 15 4.571 2.843 8.618 1.00 0.00 O ATOM 225 CB VAL A 15 4.013 4.387 11.569 1.00 0.00 C ATOM 226 CG1 VAL A 15 3.006 5.025 12.536 1.00 0.00 C ATOM 227 CG2 VAL A 15 4.493 3.033 12.115 1.00 0.00 C ATOM 0 H VAL A 15 2.704 2.313 10.205 1.00 0.00 H new ATOM 0 HA VAL A 15 2.962 5.250 9.952 1.00 0.00 H new ATOM 0 HB VAL A 15 4.892 5.025 11.484 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.452 5.102 13.528 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.740 6.020 12.180 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.110 4.407 12.588 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.919 3.172 13.109 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.650 2.345 12.174 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.251 2.621 11.450 1.00 0.00 H new ATOM 237 N CYS A 16 5.128 5.030 8.666 1.00 0.00 N ATOM 238 CA CYS A 16 6.072 4.990 7.573 1.00 0.00 C ATOM 239 C CYS A 16 7.370 4.308 7.998 1.00 0.00 C ATOM 240 O CYS A 16 7.938 4.649 9.034 1.00 0.00 O ATOM 241 CB CYS A 16 6.357 6.423 7.130 1.00 0.00 C ATOM 242 SG CYS A 16 7.222 6.337 5.556 1.00 0.00 S ATOM 0 H CYS A 16 5.043 5.953 9.093 1.00 0.00 H new ATOM 0 HA CYS A 16 5.648 4.416 6.749 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.429 6.985 7.028 1.00 0.00 H new ATOM 0 HB3 CYS A 16 6.963 6.941 7.873 1.00 0.00 H new ATOM 0 HG CYS A 16 6.854 7.331 4.804 1.00 0.00 H new ATOM 247 N CYS A 17 7.888 3.433 7.133 1.00 0.00 N ATOM 248 CA CYS A 17 9.126 2.679 7.344 1.00 0.00 C ATOM 249 C CYS A 17 10.283 3.594 7.751 1.00 0.00 C ATOM 250 O CYS A 17 11.004 3.298 8.702 1.00 0.00 O ATOM 251 CB CYS A 17 9.503 1.958 6.044 1.00 0.00 C ATOM 252 SG CYS A 17 10.849 0.771 6.259 1.00 0.00 S ATOM 0 H CYS A 17 7.444 3.223 6.239 1.00 0.00 H new ATOM 0 HA CYS A 17 8.952 1.966 8.150 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.627 1.439 5.656 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.793 2.696 5.297 1.00 0.00 H new ATOM 0 HG CYS A 17 11.530 0.682 5.155 1.00 0.00 H new ATOM 258 N LYS A 18 10.479 4.690 7.004 1.00 0.00 N ATOM 259 CA LYS A 18 11.712 5.462 7.072 1.00 0.00 C ATOM 260 C LYS A 18 11.588 6.740 7.898 1.00 0.00 C ATOM 261 O LYS A 18 12.612 7.299 8.282 1.00 0.00 O ATOM 262 CB LYS A 18 12.237 5.733 5.656 1.00 0.00 C ATOM 263 CG LYS A 18 11.331 6.607 4.765 1.00 0.00 C ATOM 264 CD LYS A 18 12.174 7.378 3.738 1.00 0.00 C ATOM 265 CE LYS A 18 12.781 6.509 2.632 1.00 0.00 C ATOM 266 NZ LYS A 18 11.806 6.233 1.556 1.00 0.00 N ATOM 0 H LYS A 18 9.792 5.057 6.346 1.00 0.00 H new ATOM 0 HA LYS A 18 12.444 4.858 7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.212 6.215 5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.394 4.777 5.157 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.603 5.980 4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.769 7.307 5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.551 8.145 3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.980 7.893 4.261 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.653 7.011 2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.129 5.568 3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.280 5.730 0.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.034 5.645 1.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.417 7.130 1.201 1.00 0.00 H new ATOM 280 N CYS A 19 10.364 7.210 8.165 1.00 0.00 N ATOM 281 CA CYS A 19 10.113 8.471 8.832 1.00 0.00 C ATOM 282 C CYS A 19 9.076 8.371 9.957 1.00 0.00 C ATOM 283 O CYS A 19 8.761 9.399 10.550 1.00 0.00 O ATOM 284 CB CYS A 19 9.733 9.503 7.764 1.00 0.00 C ATOM 285 SG CYS A 19 8.246 9.214 6.765 1.00 0.00 S ATOM 0 H CYS A 19 9.512 6.708 7.915 1.00 0.00 H new ATOM 0 HA CYS A 19 11.021 8.789 9.344 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.615 10.466 8.261 1.00 0.00 H new ATOM 0 HB3 CYS A 19 10.577 9.598 7.081 1.00 0.00 H new ATOM 290 N ASP A 20 8.546 7.171 10.250 1.00 0.00 N ATOM 291 CA ASP A 20 7.557 6.881 11.301 1.00 0.00 C ATOM 292 C ASP A 20 6.277 7.729 11.198 1.00 0.00 C ATOM 293 O ASP A 20 5.484 7.814 12.135 1.00 0.00 O ATOM 294 CB ASP A 20 8.225 6.935 12.686 1.00 0.00 C ATOM 295 CG ASP A 20 7.387 6.257 13.778 1.00 0.00 C ATOM 296 OD1 ASP A 20 6.873 5.148 13.505 1.00 0.00 O ATOM 297 OD2 ASP A 20 7.327 6.823 14.892 1.00 0.00 O ATOM 0 H ASP A 20 8.811 6.333 9.732 1.00 0.00 H new ATOM 0 HA ASP A 20 7.200 5.863 11.146 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.201 6.453 12.632 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.398 7.976 12.961 1.00 0.00 H new ATOM 302 N GLY A 21 6.045 8.363 10.042 1.00 0.00 N ATOM 303 CA GLY A 21 4.903 9.248 9.869 1.00 0.00 C ATOM 304 C GLY A 21 3.639 8.420 9.734 1.00 0.00 C ATOM 305 O GLY A 21 3.670 7.328 9.173 1.00 0.00 O ATOM 0 H GLY A 21 6.637 8.275 9.216 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.820 9.923 10.721 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.041 9.868 8.983 1.00 0.00 H new ATOM 309 N ARG A 22 2.518 8.963 10.205 1.00 0.00 N ATOM 310 CA ARG A 22 1.203 8.335 10.121 1.00 0.00 C ATOM 311 C ARG A 22 0.858 8.160 8.648 1.00 0.00 C ATOM 312 O ARG A 22 0.824 9.150 7.914 1.00 0.00 O ATOM 313 CB ARG A 22 0.184 9.212 10.877 1.00 0.00 C ATOM 314 CG ARG A 22 -1.301 8.822 10.736 1.00 0.00 C ATOM 315 CD ARG A 22 -1.950 9.347 9.443 1.00 0.00 C ATOM 316 NE ARG A 22 -3.420 9.364 9.513 1.00 0.00 N ATOM 317 CZ ARG A 22 -4.235 9.861 8.570 1.00 0.00 C ATOM 318 NH1 ARG A 22 -3.735 10.383 7.448 1.00 0.00 N ATOM 319 NH2 ARG A 22 -5.557 9.829 8.747 1.00 0.00 N ATOM 0 H ARG A 22 2.500 9.873 10.666 1.00 0.00 H new ATOM 0 HA ARG A 22 1.188 7.350 10.588 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.441 9.197 11.936 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.300 10.241 10.535 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.388 7.736 10.762 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.853 9.207 11.593 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.588 10.355 9.243 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.637 8.724 8.605 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.854 8.966 10.346 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.726 10.406 7.302 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.362 10.759 6.737 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.948 9.427 9.599 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.177 10.207 8.030 1.00 0.00 H new ATOM 333 N ILE A 23 0.523 6.935 8.235 1.00 0.00 N ATOM 334 CA ILE A 23 -0.008 6.665 6.910 1.00 0.00 C ATOM 335 C ILE A 23 -1.335 5.929 7.080 1.00 0.00 C ATOM 336 O ILE A 23 -1.361 4.778 7.511 1.00 0.00 O ATOM 337 CB ILE A 23 0.964 5.863 6.014 1.00 0.00 C ATOM 338 CG1 ILE A 23 2.439 6.309 6.092 1.00 0.00 C ATOM 339 CG2 ILE A 23 0.436 6.025 4.573 1.00 0.00 C ATOM 340 CD1 ILE A 23 3.360 5.485 5.182 1.00 0.00 C ATOM 0 H ILE A 23 0.616 6.103 8.818 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.154 7.614 6.393 1.00 0.00 H new ATOM 0 HB ILE A 23 0.981 4.829 6.358 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.510 7.361 5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.785 6.225 7.122 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.082 5.479 3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.578 5.629 4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.430 7.081 4.304 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.384 5.845 5.279 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.315 4.435 5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.036 5.589 4.146 1.00 0.00 H new ATOM 352 N GLU A 24 -2.445 6.581 6.732 1.00 0.00 N ATOM 353 CA GLU A 24 -3.705 5.886 6.523 1.00 0.00 C ATOM 354 C GLU A 24 -3.590 5.085 5.224 1.00 0.00 C ATOM 355 O GLU A 24 -3.627 5.662 4.137 1.00 0.00 O ATOM 356 CB GLU A 24 -4.865 6.889 6.514 1.00 0.00 C ATOM 357 CG GLU A 24 -6.226 6.186 6.394 1.00 0.00 C ATOM 358 CD GLU A 24 -7.033 6.654 5.182 1.00 0.00 C ATOM 359 OE1 GLU A 24 -6.760 6.161 4.064 1.00 0.00 O ATOM 360 OE2 GLU A 24 -8.003 7.417 5.399 1.00 0.00 O ATOM 0 H GLU A 24 -2.492 7.590 6.590 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.917 5.191 7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.841 7.481 7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.739 7.583 5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.068 5.110 6.326 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.804 6.367 7.301 1.00 0.00 H new ATOM 367 N LEU A 25 -3.387 3.767 5.329 1.00 0.00 N ATOM 368 CA LEU A 25 -3.337 2.896 4.166 1.00 0.00 C ATOM 369 C LEU A 25 -4.768 2.518 3.795 1.00 0.00 C ATOM 370 O LEU A 25 -5.230 1.445 4.192 1.00 0.00 O ATOM 371 CB LEU A 25 -2.475 1.637 4.400 1.00 0.00 C ATOM 372 CG LEU A 25 -1.085 1.890 5.004 1.00 0.00 C ATOM 373 CD1 LEU A 25 -0.383 0.555 5.260 1.00 0.00 C ATOM 374 CD2 LEU A 25 -0.229 2.720 4.049 1.00 0.00 C ATOM 0 H LEU A 25 -3.255 3.284 6.218 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.859 3.433 3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.021 0.962 5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.350 1.121 3.448 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.211 2.434 5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.602 0.738 5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.976 -0.040 5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.275 0.014 4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.752 2.889 4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.113 2.185 3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.714 3.678 3.865 1.00 0.00 H new ATOM 386 N THR A 26 -5.474 3.382 3.051 1.00 0.00 N ATOM 387 CA THR A 26 -6.641 2.910 2.310 1.00 0.00 C ATOM 388 C THR A 26 -6.139 2.004 1.165 1.00 0.00 C ATOM 389 O THR A 26 -5.814 2.478 0.072 1.00 0.00 O ATOM 390 CB THR A 26 -7.598 4.008 1.785 1.00 0.00 C ATOM 391 OG1 THR A 26 -8.220 4.867 2.730 1.00 0.00 O ATOM 392 CG2 THR A 26 -8.822 3.280 1.223 1.00 0.00 C ATOM 0 H THR A 26 -5.264 4.375 2.950 1.00 0.00 H new ATOM 0 HA THR A 26 -7.264 2.361 3.016 1.00 0.00 H new ATOM 0 HB THR A 26 -6.962 4.604 1.130 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.596 5.578 2.986 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.534 4.010 0.837 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.511 2.615 0.417 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.293 2.697 2.014 1.00 0.00 H new ATOM 400 N VAL A 27 -6.083 0.693 1.415 1.00 0.00 N ATOM 401 CA VAL A 27 -6.072 -0.307 0.343 1.00 0.00 C ATOM 402 C VAL A 27 -7.569 -0.586 0.088 1.00 0.00 C ATOM 403 O VAL A 27 -8.419 -0.274 0.929 1.00 0.00 O ATOM 404 CB VAL A 27 -5.213 -1.560 0.723 1.00 0.00 C ATOM 405 CG1 VAL A 27 -3.939 -1.150 1.482 1.00 0.00 C ATOM 406 CG2 VAL A 27 -6.015 -2.523 1.613 1.00 0.00 C ATOM 0 H VAL A 27 -6.044 0.298 2.355 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.587 0.031 -0.573 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.941 -2.055 -0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.362 -2.040 1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.337 -0.493 0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.214 -0.626 2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.398 -3.386 1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.312 -2.011 2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.905 -2.857 1.079 1.00 0.00 H new ATOM 416 N GLU A 28 -7.940 -1.177 -1.041 1.00 0.00 N ATOM 417 CA GLU A 28 -9.332 -1.530 -1.289 1.00 0.00 C ATOM 418 C GLU A 28 -9.348 -3.007 -1.661 1.00 0.00 C ATOM 419 O GLU A 28 -8.952 -3.360 -2.772 1.00 0.00 O ATOM 420 CB GLU A 28 -10.013 -0.574 -2.289 1.00 0.00 C ATOM 421 CG GLU A 28 -9.775 0.907 -2.002 1.00 0.00 C ATOM 422 CD GLU A 28 -10.834 1.781 -2.683 1.00 0.00 C ATOM 423 OE1 GLU A 28 -11.044 1.602 -3.903 1.00 0.00 O ATOM 424 OE2 GLU A 28 -11.431 2.623 -1.977 1.00 0.00 O ATOM 0 H GLU A 28 -7.299 -1.421 -1.796 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.950 -1.398 -0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.653 -0.800 -3.293 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.086 -0.765 -2.284 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.795 1.079 -0.926 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.783 1.193 -2.352 1.00 0.00 H new ATOM 431 N SER A 29 -9.713 -3.871 -0.699 1.00 0.00 N ATOM 432 CA SER A 29 -9.997 -5.278 -0.963 1.00 0.00 C ATOM 433 C SER A 29 -10.669 -5.919 0.238 1.00 0.00 C ATOM 434 O SER A 29 -10.565 -5.408 1.352 1.00 0.00 O ATOM 435 CB SER A 29 -8.737 -6.094 -1.258 1.00 0.00 C ATOM 436 OG SER A 29 -9.131 -7.136 -2.127 1.00 0.00 O ATOM 0 H SER A 29 -9.817 -3.607 0.281 1.00 0.00 H new ATOM 0 HA SER A 29 -10.645 -5.288 -1.840 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.971 -5.472 -1.720 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.310 -6.495 -0.339 1.00 0.00 H new ATOM 0 HG SER A 29 -8.339 -7.632 -2.423 1.00 0.00 H new ATOM 442 N SER A 30 -11.295 -7.074 0.008 1.00 0.00 N ATOM 443 CA SER A 30 -11.984 -7.877 1.005 1.00 0.00 C ATOM 444 C SER A 30 -11.100 -8.095 2.237 1.00 0.00 C ATOM 445 O SER A 30 -9.878 -8.211 2.123 1.00 0.00 O ATOM 446 CB SER A 30 -12.382 -9.202 0.355 1.00 0.00 C ATOM 447 OG SER A 30 -13.109 -8.953 -0.838 1.00 0.00 O ATOM 0 H SER A 30 -11.334 -7.489 -0.923 1.00 0.00 H new ATOM 0 HA SER A 30 -12.879 -7.360 1.352 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.492 -9.791 0.133 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.988 -9.789 1.045 1.00 0.00 H new ATOM 0 HG SER A 30 -13.360 -9.805 -1.252 1.00 0.00 H new ATOM 453 N ALA A 31 -11.716 -8.157 3.423 1.00 0.00 N ATOM 454 CA ALA A 31 -10.996 -8.066 4.690 1.00 0.00 C ATOM 455 C ALA A 31 -9.879 -9.108 4.809 1.00 0.00 C ATOM 456 O ALA A 31 -8.813 -8.800 5.331 1.00 0.00 O ATOM 457 CB ALA A 31 -11.986 -8.185 5.853 1.00 0.00 C ATOM 0 H ALA A 31 -12.724 -8.271 3.527 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.509 -7.092 4.727 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.447 -8.117 6.798 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.717 -7.378 5.793 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.500 -9.145 5.797 1.00 0.00 H new ATOM 463 N GLU A 32 -10.098 -10.322 4.301 1.00 0.00 N ATOM 464 CA GLU A 32 -9.139 -11.416 4.368 1.00 0.00 C ATOM 465 C GLU A 32 -8.031 -11.310 3.314 1.00 0.00 C ATOM 466 O GLU A 32 -6.919 -11.803 3.519 1.00 0.00 O ATOM 467 CB GLU A 32 -9.890 -12.730 4.196 1.00 0.00 C ATOM 468 CG GLU A 32 -10.818 -12.985 5.397 1.00 0.00 C ATOM 469 CD GLU A 32 -11.459 -14.370 5.344 1.00 0.00 C ATOM 470 OE1 GLU A 32 -12.359 -14.548 4.494 1.00 0.00 O ATOM 471 OE2 GLU A 32 -11.045 -15.218 6.165 1.00 0.00 O ATOM 0 H GLU A 32 -10.964 -10.573 3.824 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.647 -11.367 5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.475 -12.703 3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.180 -13.551 4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.250 -12.884 6.322 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.599 -12.225 5.419 1.00 0.00 H new ATOM 478 N ASP A 33 -8.307 -10.636 2.197 1.00 0.00 N ATOM 479 CA ASP A 33 -7.320 -10.301 1.186 1.00 0.00 C ATOM 480 C ASP A 33 -6.363 -9.266 1.785 1.00 0.00 C ATOM 481 O ASP A 33 -5.142 -9.431 1.781 1.00 0.00 O ATOM 482 CB ASP A 33 -8.055 -9.784 -0.063 1.00 0.00 C ATOM 483 CG ASP A 33 -7.175 -9.692 -1.305 1.00 0.00 C ATOM 484 OD1 ASP A 33 -6.153 -10.397 -1.358 1.00 0.00 O ATOM 485 OD2 ASP A 33 -7.586 -8.947 -2.234 1.00 0.00 O ATOM 0 H ASP A 33 -9.244 -10.304 1.971 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.730 -11.166 0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.898 -10.442 -0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.467 -8.798 0.152 1.00 0.00 H new ATOM 490 N LEU A 34 -6.942 -8.255 2.444 1.00 0.00 N ATOM 491 CA LEU A 34 -6.222 -7.273 3.243 1.00 0.00 C ATOM 492 C LEU A 34 -5.410 -7.950 4.340 1.00 0.00 C ATOM 493 O LEU A 34 -4.268 -7.598 4.591 1.00 0.00 O ATOM 494 CB LEU A 34 -7.201 -6.226 3.803 1.00 0.00 C ATOM 495 CG LEU A 34 -6.677 -5.395 5.004 1.00 0.00 C ATOM 496 CD1 LEU A 34 -7.451 -4.083 5.030 1.00 0.00 C ATOM 497 CD2 LEU A 34 -6.886 -6.040 6.388 1.00 0.00 C ATOM 0 H LEU A 34 -7.950 -8.099 2.432 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.510 -6.750 2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.471 -5.540 3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.115 -6.736 4.108 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.603 -5.293 4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.106 -3.473 5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.287 -3.545 4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.515 -4.290 5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.487 -5.382 7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.951 -6.196 6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.368 -6.999 6.425 1.00 0.00 H new ATOM 509 N ARG A 35 -6.020 -8.909 5.018 1.00 0.00 N ATOM 510 CA ARG A 35 -5.433 -9.677 6.108 1.00 0.00 C ATOM 511 C ARG A 35 -4.242 -10.457 5.589 1.00 0.00 C ATOM 512 O ARG A 35 -3.209 -10.484 6.243 1.00 0.00 O ATOM 513 CB ARG A 35 -6.449 -10.626 6.749 1.00 0.00 C ATOM 514 CG ARG A 35 -5.992 -11.080 8.139 1.00 0.00 C ATOM 515 CD ARG A 35 -7.078 -11.914 8.823 1.00 0.00 C ATOM 516 NE ARG A 35 -6.693 -12.233 10.206 1.00 0.00 N ATOM 517 CZ ARG A 35 -7.407 -12.959 11.077 1.00 0.00 C ATOM 518 NH1 ARG A 35 -8.568 -13.509 10.715 1.00 0.00 N ATOM 519 NH2 ARG A 35 -6.951 -13.130 12.318 1.00 0.00 N ATOM 0 H ARG A 35 -6.980 -9.187 4.816 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.110 -8.979 6.880 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.415 -10.128 6.827 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.590 -11.497 6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.077 -11.667 8.052 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.756 -10.210 8.751 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.021 -11.366 8.819 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.242 -12.835 8.264 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.799 -11.867 10.533 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.920 -13.379 9.767 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.103 -14.060 11.387 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.065 -12.710 12.598 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.488 -13.681 12.987 1.00 0.00 H new ATOM 533 N THR A 36 -4.364 -11.062 4.415 1.00 0.00 N ATOM 534 CA THR A 36 -3.253 -11.734 3.756 1.00 0.00 C ATOM 535 C THR A 36 -2.122 -10.719 3.507 1.00 0.00 C ATOM 536 O THR A 36 -0.980 -10.956 3.907 1.00 0.00 O ATOM 537 CB THR A 36 -3.762 -12.441 2.485 1.00 0.00 C ATOM 538 OG1 THR A 36 -4.879 -13.256 2.800 1.00 0.00 O ATOM 539 CG2 THR A 36 -2.686 -13.351 1.887 1.00 0.00 C ATOM 0 H THR A 36 -5.239 -11.100 3.892 1.00 0.00 H new ATOM 0 HA THR A 36 -2.829 -12.516 4.387 1.00 0.00 H new ATOM 0 HB THR A 36 -4.030 -11.665 1.768 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.679 -12.697 2.882 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.076 -13.835 0.992 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.811 -12.756 1.626 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.405 -14.110 2.617 1.00 0.00 H new ATOM 547 N LEU A 37 -2.453 -9.539 2.966 1.00 0.00 N ATOM 548 CA LEU A 37 -1.548 -8.390 2.862 1.00 0.00 C ATOM 549 C LEU A 37 -0.933 -8.030 4.232 1.00 0.00 C ATOM 550 O LEU A 37 0.253 -7.735 4.324 1.00 0.00 O ATOM 551 CB LEU A 37 -2.294 -7.228 2.152 1.00 0.00 C ATOM 552 CG LEU A 37 -2.228 -5.846 2.832 1.00 0.00 C ATOM 553 CD1 LEU A 37 -0.867 -5.159 2.572 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.302 -4.903 2.293 1.00 0.00 C ATOM 0 H LEU A 37 -3.379 -9.354 2.580 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.684 -8.634 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.891 -7.131 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.343 -7.508 2.051 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.376 -6.029 3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.850 -4.186 3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.064 -5.780 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.726 -5.025 1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.225 -3.939 2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.161 -4.766 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.288 -5.331 2.478 1.00 0.00 H new ATOM 566 N GLN A 38 -1.704 -8.087 5.317 1.00 0.00 N ATOM 567 CA GLN A 38 -1.250 -7.770 6.662 1.00 0.00 C ATOM 568 C GLN A 38 -0.283 -8.849 7.161 1.00 0.00 C ATOM 569 O GLN A 38 0.641 -8.528 7.905 1.00 0.00 O ATOM 570 CB GLN A 38 -2.486 -7.591 7.548 1.00 0.00 C ATOM 571 CG GLN A 38 -2.277 -7.485 9.061 1.00 0.00 C ATOM 572 CD GLN A 38 -3.617 -7.772 9.729 1.00 0.00 C ATOM 573 OE1 GLN A 38 -3.862 -8.884 10.193 1.00 0.00 O ATOM 574 NE2 GLN A 38 -4.535 -6.812 9.689 1.00 0.00 N ATOM 0 H GLN A 38 -2.685 -8.362 5.280 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.685 -6.838 6.686 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.005 -6.691 7.219 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.155 -8.431 7.361 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.522 -8.197 9.395 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.919 -6.491 9.330 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.302 -5.899 9.298 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.473 -6.988 10.049 1.00 0.00 H new ATOM 583 N GLN A 39 -0.425 -10.105 6.722 1.00 0.00 N ATOM 584 CA GLN A 39 0.553 -11.135 7.026 1.00 0.00 C ATOM 585 C GLN A 39 1.848 -10.860 6.256 1.00 0.00 C ATOM 586 O GLN A 39 2.927 -11.058 6.804 1.00 0.00 O ATOM 587 CB GLN A 39 0.027 -12.551 6.767 1.00 0.00 C ATOM 588 CG GLN A 39 -1.353 -12.863 7.372 1.00 0.00 C ATOM 589 CD GLN A 39 -1.642 -12.230 8.740 1.00 0.00 C ATOM 590 OE1 GLN A 39 -1.135 -12.668 9.765 1.00 0.00 O ATOM 591 NE2 GLN A 39 -2.481 -11.200 8.766 1.00 0.00 N ATOM 0 H GLN A 39 -1.211 -10.425 6.156 1.00 0.00 H new ATOM 0 HA GLN A 39 0.760 -11.092 8.095 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.023 -12.711 5.690 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.748 -13.266 7.162 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.119 -12.532 6.671 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.452 -13.945 7.465 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.890 -10.854 7.898 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.716 -10.756 9.654 1.00 0.00 H new ATOM 600 N LEU A 40 1.759 -10.332 5.026 1.00 0.00 N ATOM 601 CA LEU A 40 2.925 -9.830 4.291 1.00 0.00 C ATOM 602 C LEU A 40 3.559 -8.613 5.006 1.00 0.00 C ATOM 603 O LEU A 40 4.779 -8.442 4.989 1.00 0.00 O ATOM 604 CB LEU A 40 2.563 -9.537 2.822 1.00 0.00 C ATOM 605 CG LEU A 40 2.033 -10.767 2.050 1.00 0.00 C ATOM 606 CD1 LEU A 40 1.459 -10.331 0.701 1.00 0.00 C ATOM 607 CD2 LEU A 40 3.114 -11.827 1.809 1.00 0.00 C ATOM 0 H LEU A 40 0.880 -10.242 4.516 1.00 0.00 H new ATOM 0 HA LEU A 40 3.687 -10.609 4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.809 -8.750 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.445 -9.152 2.311 1.00 0.00 H new ATOM 0 HG LEU A 40 1.258 -11.215 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.088 -11.204 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.640 -9.630 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.239 -9.848 0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.685 -12.667 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.926 -11.393 1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.501 -12.176 2.766 1.00 0.00 H new ATOM 619 N PHE A 41 2.753 -7.808 5.711 1.00 0.00 N ATOM 620 CA PHE A 41 3.203 -6.713 6.577 1.00 0.00 C ATOM 621 C PHE A 41 3.976 -7.260 7.778 1.00 0.00 C ATOM 622 O PHE A 41 5.065 -6.787 8.092 1.00 0.00 O ATOM 623 CB PHE A 41 2.002 -5.834 6.988 1.00 0.00 C ATOM 624 CG PHE A 41 2.272 -4.340 7.026 1.00 0.00 C ATOM 625 CD1 PHE A 41 3.028 -3.771 8.069 1.00 0.00 C ATOM 626 CD2 PHE A 41 1.781 -3.515 5.995 1.00 0.00 C ATOM 627 CE1 PHE A 41 3.334 -2.397 8.049 1.00 0.00 C ATOM 628 CE2 PHE A 41 2.079 -2.141 5.981 1.00 0.00 C ATOM 629 CZ PHE A 41 2.872 -1.584 6.998 1.00 0.00 C ATOM 0 H PHE A 41 1.738 -7.905 5.693 1.00 0.00 H new ATOM 0 HA PHE A 41 3.894 -6.075 6.027 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.182 -6.021 6.294 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.663 -6.150 7.974 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.373 -4.389 8.885 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.172 -3.940 5.211 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.925 -1.966 8.843 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.698 -1.514 5.188 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.126 -0.535 6.973 1.00 0.00 H new ATOM 639 N LEU A 42 3.423 -8.283 8.432 1.00 0.00 N ATOM 640 CA LEU A 42 4.046 -8.977 9.557 1.00 0.00 C ATOM 641 C LEU A 42 5.290 -9.776 9.130 1.00 0.00 C ATOM 642 O LEU A 42 6.181 -9.981 9.949 1.00 0.00 O ATOM 643 CB LEU A 42 2.992 -9.890 10.207 1.00 0.00 C ATOM 644 CG LEU A 42 1.907 -9.115 10.987 1.00 0.00 C ATOM 645 CD1 LEU A 42 0.681 -10.005 11.225 1.00 0.00 C ATOM 646 CD2 LEU A 42 2.430 -8.606 12.338 1.00 0.00 C ATOM 0 H LEU A 42 2.507 -8.660 8.187 1.00 0.00 H new ATOM 0 HA LEU A 42 4.396 -8.240 10.279 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.514 -10.489 9.432 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.491 -10.583 10.884 1.00 0.00 H new ATOM 0 HG LEU A 42 1.628 -8.254 10.379 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.074 -9.444 11.776 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.270 -10.322 10.267 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.974 -10.882 11.802 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.637 -8.066 12.855 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.750 -9.452 12.946 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.275 -7.938 12.173 1.00 0.00 H new ATOM 658 N SER A 43 5.350 -10.212 7.867 1.00 0.00 N ATOM 659 CA SER A 43 6.486 -10.832 7.193 1.00 0.00 C ATOM 660 C SER A 43 7.629 -9.820 7.061 1.00 0.00 C ATOM 661 O SER A 43 8.579 -9.885 7.841 1.00 0.00 O ATOM 662 CB SER A 43 5.978 -11.387 5.852 1.00 0.00 C ATOM 663 OG SER A 43 6.940 -11.577 4.838 1.00 0.00 O ATOM 0 H SER A 43 4.544 -10.133 7.247 1.00 0.00 H new ATOM 0 HA SER A 43 6.902 -11.663 7.762 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.491 -12.344 6.042 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.213 -10.710 5.472 1.00 0.00 H new ATOM 0 HG SER A 43 6.902 -10.828 4.207 1.00 0.00 H new ATOM 669 N THR A 44 7.544 -8.888 6.098 1.00 0.00 N ATOM 670 CA THR A 44 8.527 -7.823 5.916 1.00 0.00 C ATOM 671 C THR A 44 7.952 -6.454 5.571 1.00 0.00 C ATOM 672 O THR A 44 8.614 -5.444 5.816 1.00 0.00 O ATOM 673 CB THR A 44 9.659 -8.192 4.920 1.00 0.00 C ATOM 674 OG1 THR A 44 9.288 -8.591 3.602 1.00 0.00 O ATOM 675 CG2 THR A 44 10.491 -9.339 5.471 1.00 0.00 C ATOM 0 H THR A 44 6.782 -8.858 5.421 1.00 0.00 H new ATOM 0 HA THR A 44 8.957 -7.731 6.913 1.00 0.00 H new ATOM 0 HB THR A 44 10.186 -7.243 4.825 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.433 -8.176 3.363 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.281 -9.588 4.763 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.935 -9.043 6.421 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.854 -10.210 5.624 1.00 0.00 H new ATOM 683 N LEU A 45 6.764 -6.420 4.972 1.00 0.00 N ATOM 684 CA LEU A 45 6.277 -5.232 4.284 1.00 0.00 C ATOM 685 C LEU A 45 6.081 -4.070 5.237 1.00 0.00 C ATOM 686 O LEU A 45 5.198 -4.095 6.083 1.00 0.00 O ATOM 687 CB LEU A 45 5.023 -5.537 3.448 1.00 0.00 C ATOM 688 CG LEU A 45 4.657 -4.399 2.477 1.00 0.00 C ATOM 689 CD1 LEU A 45 4.112 -5.027 1.198 1.00 0.00 C ATOM 690 CD2 LEU A 45 3.587 -3.452 3.036 1.00 0.00 C ATOM 0 H LEU A 45 6.118 -7.209 4.951 1.00 0.00 H new ATOM 0 HA LEU A 45 7.048 -4.920 3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.185 -6.453 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.183 -5.721 4.117 1.00 0.00 H new ATOM 0 HG LEU A 45 5.558 -3.811 2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.845 -4.241 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.873 -5.669 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.228 -5.620 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.373 -2.672 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.676 -4.014 3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.950 -2.996 3.957 1.00 0.00 H new ATOM 702 N SER A 46 6.881 -3.026 5.055 1.00 0.00 N ATOM 703 CA SER A 46 6.599 -1.707 5.566 1.00 0.00 C ATOM 704 C SER A 46 6.059 -0.882 4.394 1.00 0.00 C ATOM 705 O SER A 46 6.144 -1.284 3.231 1.00 0.00 O ATOM 706 CB SER A 46 7.889 -1.153 6.167 1.00 0.00 C ATOM 707 OG SER A 46 8.394 -2.070 7.118 1.00 0.00 O ATOM 0 H SER A 46 7.758 -3.083 4.537 1.00 0.00 H new ATOM 0 HA SER A 46 5.849 -1.693 6.357 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.626 -0.983 5.382 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.699 -0.189 6.640 1.00 0.00 H new ATOM 0 HG SER A 46 9.223 -1.718 7.504 1.00 0.00 H new ATOM 713 N PHE A 47 5.503 0.287 4.689 1.00 0.00 N ATOM 714 CA PHE A 47 4.909 1.172 3.702 1.00 0.00 C ATOM 715 C PHE A 47 5.591 2.523 3.822 1.00 0.00 C ATOM 716 O PHE A 47 6.046 2.907 4.905 1.00 0.00 O ATOM 717 CB PHE A 47 3.391 1.269 3.902 1.00 0.00 C ATOM 718 CG PHE A 47 2.640 1.617 2.627 1.00 0.00 C ATOM 719 CD1 PHE A 47 2.591 2.948 2.166 1.00 0.00 C ATOM 720 CD2 PHE A 47 2.000 0.605 1.885 1.00 0.00 C ATOM 721 CE1 PHE A 47 1.940 3.260 0.960 1.00 0.00 C ATOM 722 CE2 PHE A 47 1.323 0.922 0.693 1.00 0.00 C ATOM 723 CZ PHE A 47 1.310 2.246 0.220 1.00 0.00 C ATOM 0 H PHE A 47 5.453 0.651 5.641 1.00 0.00 H new ATOM 0 HA PHE A 47 5.058 0.782 2.695 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.020 0.319 4.287 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.178 2.024 4.659 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.057 3.733 2.743 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.029 -0.417 2.232 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.924 4.279 0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.813 0.147 0.140 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.816 2.483 -0.711 1.00 0.00 H new ATOM 733 N VAL A 48 5.670 3.224 2.695 1.00 0.00 N ATOM 734 CA VAL A 48 6.455 4.418 2.523 1.00 0.00 C ATOM 735 C VAL A 48 5.657 5.423 1.693 1.00 0.00 C ATOM 736 O VAL A 48 5.358 5.215 0.518 1.00 0.00 O ATOM 737 CB VAL A 48 7.861 3.974 2.056 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.694 4.841 1.131 1.00 0.00 C ATOM 739 CG2 VAL A 48 8.695 3.746 3.321 1.00 0.00 C ATOM 0 H VAL A 48 5.165 2.956 1.850 1.00 0.00 H new ATOM 0 HA VAL A 48 6.653 4.991 3.429 1.00 0.00 H new ATOM 0 HB VAL A 48 7.637 3.112 1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.644 4.347 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.157 4.995 0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.881 5.804 1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.700 3.430 3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.751 4.673 3.892 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.227 2.973 3.931 1.00 0.00 H new ATOM 749 N CYS A 49 5.207 6.474 2.390 1.00 0.00 N ATOM 750 CA CYS A 49 4.292 7.498 1.894 1.00 0.00 C ATOM 751 C CYS A 49 4.919 8.232 0.700 1.00 0.00 C ATOM 752 O CYS A 49 6.129 8.453 0.713 1.00 0.00 O ATOM 753 CB CYS A 49 3.973 8.465 3.050 1.00 0.00 C ATOM 754 SG CYS A 49 5.360 8.964 4.124 1.00 0.00 S ATOM 0 H CYS A 49 5.486 6.637 3.358 1.00 0.00 H new ATOM 0 HA CYS A 49 3.364 7.045 1.544 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.533 9.367 2.625 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.210 8.003 3.676 1.00 0.00 H new ATOM 759 N PRO A 50 4.137 8.680 -0.305 1.00 0.00 N ATOM 760 CA PRO A 50 4.695 9.204 -1.555 1.00 0.00 C ATOM 761 C PRO A 50 5.615 10.423 -1.363 1.00 0.00 C ATOM 762 O PRO A 50 6.550 10.615 -2.144 1.00 0.00 O ATOM 763 CB PRO A 50 3.495 9.496 -2.464 1.00 0.00 C ATOM 764 CG PRO A 50 2.307 9.582 -1.507 1.00 0.00 C ATOM 765 CD PRO A 50 2.683 8.601 -0.400 1.00 0.00 C ATOM 0 HA PRO A 50 5.360 8.469 -2.008 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.630 10.427 -3.014 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.354 8.707 -3.203 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.172 10.593 -1.121 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.374 9.300 -1.996 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.210 8.871 0.544 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.357 7.589 -0.642 1.00 0.00 H new ATOM 773 N TRP A 51 5.403 11.200 -0.293 1.00 0.00 N ATOM 774 CA TRP A 51 6.288 12.265 0.153 1.00 0.00 C ATOM 775 C TRP A 51 7.697 11.717 0.406 1.00 0.00 C ATOM 776 O TRP A 51 8.632 12.076 -0.312 1.00 0.00 O ATOM 777 CB TRP A 51 5.694 12.934 1.403 1.00 0.00 C ATOM 778 CG TRP A 51 6.631 13.842 2.140 1.00 0.00 C ATOM 779 CD1 TRP A 51 7.162 14.984 1.650 1.00 0.00 C ATOM 780 CD2 TRP A 51 7.199 13.675 3.476 1.00 0.00 C ATOM 781 NE1 TRP A 51 8.035 15.522 2.574 1.00 0.00 N ATOM 782 CE2 TRP A 51 8.095 14.758 3.721 1.00 0.00 C ATOM 783 CE3 TRP A 51 7.055 12.717 4.504 1.00 0.00 C ATOM 784 CZ2 TRP A 51 8.813 14.883 4.921 1.00 0.00 C ATOM 785 CZ3 TRP A 51 7.766 12.835 5.714 1.00 0.00 C ATOM 786 CH2 TRP A 51 8.644 13.912 5.923 1.00 0.00 C ATOM 0 H TRP A 51 4.581 11.095 0.301 1.00 0.00 H new ATOM 0 HA TRP A 51 6.376 13.023 -0.625 1.00 0.00 H new ATOM 0 HB2 TRP A 51 4.815 13.506 1.107 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.353 12.156 2.086 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.938 15.410 0.683 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.569 16.378 2.427 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.388 11.880 4.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 9.486 15.714 5.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.635 12.092 6.487 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.188 13.994 6.852 1.00 0.00 H new ATOM 797 N CYS A 52 7.865 10.846 1.405 1.00 0.00 N ATOM 798 CA CYS A 52 9.170 10.284 1.744 1.00 0.00 C ATOM 799 C CYS A 52 9.648 9.281 0.702 1.00 0.00 C ATOM 800 O CYS A 52 10.823 8.912 0.672 1.00 0.00 O ATOM 801 CB CYS A 52 9.094 9.600 3.099 1.00 0.00 C ATOM 802 SG CYS A 52 8.468 7.913 3.110 1.00 0.00 S ATOM 0 H CYS A 52 7.104 10.514 1.997 1.00 0.00 H new ATOM 0 HA CYS A 52 9.885 11.106 1.772 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.092 9.597 3.536 1.00 0.00 H new ATOM 0 HB3 CYS A 52 8.462 10.203 3.751 1.00 0.00 H new ATOM 807 N ALA A 53 8.741 8.792 -0.144 1.00 0.00 N ATOM 808 CA ALA A 53 9.160 7.949 -1.229 1.00 0.00 C ATOM 809 C ALA A 53 9.953 8.788 -2.238 1.00 0.00 C ATOM 810 O ALA A 53 10.995 8.358 -2.725 1.00 0.00 O ATOM 811 CB ALA A 53 7.965 7.282 -1.908 1.00 0.00 C ATOM 0 H ALA A 53 7.738 8.968 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 53 9.794 7.155 -0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.316 6.651 -2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.428 6.671 -1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.297 8.047 -2.302 1.00 0.00 H new ATOM 817 N THR A 54 9.447 9.997 -2.518 1.00 0.00 N ATOM 818 CA THR A 54 10.048 10.986 -3.404 1.00 0.00 C ATOM 819 C THR A 54 11.310 11.590 -2.770 1.00 0.00 C ATOM 820 O THR A 54 12.328 11.718 -3.446 1.00 0.00 O ATOM 821 CB THR A 54 9.001 12.077 -3.722 1.00 0.00 C ATOM 822 OG1 THR A 54 7.800 11.494 -4.193 1.00 0.00 O ATOM 823 CG2 THR A 54 9.487 13.061 -4.791 1.00 0.00 C ATOM 0 H THR A 54 8.569 10.320 -2.112 1.00 0.00 H new ATOM 0 HA THR A 54 10.354 10.506 -4.334 1.00 0.00 H new ATOM 0 HB THR A 54 8.835 12.615 -2.789 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.198 11.330 -3.437 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.714 13.807 -4.977 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.394 13.557 -4.444 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.699 12.520 -5.713 1.00 0.00 H new ATOM 831 N ASN A 55 11.244 11.983 -1.490 1.00 0.00 N ATOM 832 CA ASN A 55 12.348 12.670 -0.802 1.00 0.00 C ATOM 833 C ASN A 55 13.445 11.708 -0.351 1.00 0.00 C ATOM 834 O ASN A 55 14.576 12.147 -0.149 1.00 0.00 O ATOM 835 CB ASN A 55 11.840 13.449 0.423 1.00 0.00 C ATOM 836 CG ASN A 55 11.074 14.694 0.009 1.00 0.00 C ATOM 837 OD1 ASN A 55 11.591 15.803 0.029 1.00 0.00 O ATOM 838 ND2 ASN A 55 9.832 14.532 -0.414 1.00 0.00 N ATOM 0 H ASN A 55 10.424 11.834 -0.902 1.00 0.00 H new ATOM 0 HA ASN A 55 12.772 13.360 -1.532 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.196 12.806 1.023 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.684 13.732 1.052 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.291 15.337 -0.729 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.414 13.602 -0.425 1.00 0.00 H new ATOM 845 N GLN A 56 13.101 10.423 -0.214 1.00 0.00 N ATOM 846 CA GLN A 56 13.824 9.423 0.564 1.00 0.00 C ATOM 847 C GLN A 56 13.746 9.794 2.054 1.00 0.00 C ATOM 848 O GLN A 56 14.587 9.278 2.818 1.00 0.00 O ATOM 849 CB GLN A 56 15.240 9.199 -0.004 1.00 0.00 C ATOM 850 CG GLN A 56 15.876 7.857 0.405 1.00 0.00 C ATOM 851 CD GLN A 56 17.228 7.607 -0.266 1.00 0.00 C ATOM 852 OE1 GLN A 56 17.472 6.522 -0.792 1.00 0.00 O ATOM 853 NE2 GLN A 56 18.132 8.578 -0.259 1.00 0.00 N ATOM 0 H GLN A 56 12.271 10.038 -0.666 1.00 0.00 H new ATOM 0 HA GLN A 56 13.357 8.442 0.479 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.196 9.252 -1.092 1.00 0.00 H new ATOM 0 HB3 GLN A 56 15.886 10.011 0.329 1.00 0.00 H new ATOM 0 HG2 GLN A 56 16.005 7.837 1.487 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.194 7.046 0.150 1.00 0.00 H new ATOM 0 HE21 GLN A 56 17.916 9.473 0.181 1.00 0.00 H new ATOM 0 HE22 GLN A 56 19.043 8.430 -0.693 1.00 0.00 H new TER 862 GLN A 56 ATOM 863 N GLY B 1 22.492 3.326 6.112 1.00 0.00 N ATOM 864 CA GLY B 1 23.540 3.954 6.936 1.00 0.00 C ATOM 865 C GLY B 1 24.126 5.135 6.181 1.00 0.00 C ATOM 866 O GLY B 1 23.386 5.806 5.468 1.00 0.00 O ATOM 0 H1 GLY B 1 22.266 2.386 6.495 1.00 0.00 H new ATOM 0 H2 GLY B 1 21.638 3.920 6.124 1.00 0.00 H new ATOM 0 H3 GLY B 1 22.831 3.228 5.134 1.00 0.00 H new ATOM 0 HA2 GLY B 1 23.122 4.285 7.887 1.00 0.00 H new ATOM 0 HA3 GLY B 1 24.321 3.230 7.166 1.00 0.00 H new ATOM 870 N SER B 2 25.441 5.365 6.294 1.00 0.00 N ATOM 871 CA SER B 2 26.160 6.381 5.519 1.00 0.00 C ATOM 872 C SER B 2 26.056 6.142 4.005 1.00 0.00 C ATOM 873 O SER B 2 26.125 7.089 3.227 1.00 0.00 O ATOM 874 CB SER B 2 27.631 6.383 5.950 1.00 0.00 C ATOM 875 OG SER B 2 27.727 6.365 7.364 1.00 0.00 O ATOM 0 H SER B 2 26.041 4.844 6.934 1.00 0.00 H new ATOM 0 HA SER B 2 25.701 7.349 5.720 1.00 0.00 H new ATOM 0 HB2 SER B 2 28.141 5.515 5.533 1.00 0.00 H new ATOM 0 HB3 SER B 2 28.132 7.267 5.555 1.00 0.00 H new ATOM 0 HG SER B 2 28.671 6.365 7.628 1.00 0.00 H new ATOM 881 N HIS B 3 25.827 4.887 3.603 1.00 0.00 N ATOM 882 CA HIS B 3 25.290 4.499 2.309 1.00 0.00 C ATOM 883 C HIS B 3 24.023 3.683 2.588 1.00 0.00 C ATOM 884 O HIS B 3 23.869 3.140 3.691 1.00 0.00 O ATOM 885 CB HIS B 3 26.322 3.665 1.530 1.00 0.00 C ATOM 886 CG HIS B 3 27.701 4.278 1.424 1.00 0.00 C ATOM 887 ND1 HIS B 3 28.892 3.611 1.614 1.00 0.00 N ATOM 888 CD2 HIS B 3 28.000 5.583 1.130 1.00 0.00 C ATOM 889 CE1 HIS B 3 29.886 4.500 1.441 1.00 0.00 C ATOM 890 NE2 HIS B 3 29.392 5.712 1.147 1.00 0.00 N ATOM 0 H HIS B 3 26.022 4.085 4.202 1.00 0.00 H new ATOM 0 HA HIS B 3 25.059 5.371 1.698 1.00 0.00 H new ATOM 0 HB2 HIS B 3 26.412 2.690 2.008 1.00 0.00 H new ATOM 0 HB3 HIS B 3 25.941 3.493 0.524 1.00 0.00 H new ATOM 0 HD2 HIS B 3 27.289 6.369 0.923 1.00 0.00 H new ATOM 0 HE1 HIS B 3 30.938 4.270 1.527 1.00 0.00 H new ATOM 0 HE2 HIS B 3 29.928 6.562 0.970 1.00 0.00 H new ATOM 898 N MET B 4 23.125 3.574 1.605 1.00 0.00 N ATOM 899 CA MET B 4 21.935 2.737 1.684 1.00 0.00 C ATOM 900 C MET B 4 21.513 2.349 0.262 1.00 0.00 C ATOM 901 O MET B 4 21.902 3.023 -0.692 1.00 0.00 O ATOM 902 CB MET B 4 20.811 3.504 2.413 1.00 0.00 C ATOM 903 CG MET B 4 19.756 2.567 3.013 1.00 0.00 C ATOM 904 SD MET B 4 20.334 1.563 4.407 1.00 0.00 S ATOM 905 CE MET B 4 18.855 0.541 4.641 1.00 0.00 C ATOM 0 H MET B 4 23.210 4.074 0.720 1.00 0.00 H new ATOM 0 HA MET B 4 22.142 1.829 2.250 1.00 0.00 H new ATOM 0 HB2 MET B 4 21.246 4.112 3.206 1.00 0.00 H new ATOM 0 HB3 MET B 4 20.330 4.188 1.714 1.00 0.00 H new ATOM 0 HG2 MET B 4 18.905 3.164 3.342 1.00 0.00 H new ATOM 0 HG3 MET B 4 19.394 1.901 2.229 1.00 0.00 H new ATOM 0 HE1 MET B 4 19.018 -0.151 5.467 1.00 0.00 H new ATOM 0 HE2 MET B 4 18.002 1.181 4.867 1.00 0.00 H new ATOM 0 HE3 MET B 4 18.654 -0.022 3.730 1.00 0.00 H new ATOM 915 N ALA B 5 20.696 1.295 0.174 1.00 0.00 N ATOM 916 CA ALA B 5 20.058 0.619 -0.953 1.00 0.00 C ATOM 917 C ALA B 5 19.931 -0.843 -0.541 1.00 0.00 C ATOM 918 O ALA B 5 20.868 -1.412 0.022 1.00 0.00 O ATOM 919 CB ALA B 5 20.801 0.744 -2.276 1.00 0.00 C ATOM 0 H ALA B 5 20.427 0.824 1.038 1.00 0.00 H new ATOM 0 HA ALA B 5 19.096 1.093 -1.150 1.00 0.00 H new ATOM 0 HB1 ALA B 5 20.253 0.211 -3.053 1.00 0.00 H new ATOM 0 HB2 ALA B 5 20.885 1.796 -2.548 1.00 0.00 H new ATOM 0 HB3 ALA B 5 21.798 0.314 -2.176 1.00 0.00 H new ATOM 925 N GLU B 6 18.757 -1.427 -0.766 1.00 0.00 N ATOM 926 CA GLU B 6 18.336 -2.609 -0.043 1.00 0.00 C ATOM 927 C GLU B 6 17.213 -3.372 -0.767 1.00 0.00 C ATOM 928 O GLU B 6 16.402 -2.760 -1.461 1.00 0.00 O ATOM 929 CB GLU B 6 17.882 -2.125 1.346 1.00 0.00 C ATOM 930 CG GLU B 6 16.739 -1.085 1.397 1.00 0.00 C ATOM 931 CD GLU B 6 16.930 0.238 0.627 1.00 0.00 C ATOM 932 OE1 GLU B 6 16.666 0.278 -0.593 1.00 0.00 O ATOM 933 OE2 GLU B 6 17.358 1.260 1.205 1.00 0.00 O ATOM 0 H GLU B 6 18.080 -1.092 -1.451 1.00 0.00 H new ATOM 0 HA GLU B 6 19.159 -3.320 0.033 1.00 0.00 H new ATOM 0 HB2 GLU B 6 17.571 -2.997 1.922 1.00 0.00 H new ATOM 0 HB3 GLU B 6 18.747 -1.700 1.854 1.00 0.00 H new ATOM 0 HG2 GLU B 6 15.835 -1.563 1.020 1.00 0.00 H new ATOM 0 HG3 GLU B 6 16.557 -0.839 2.443 1.00 0.00 H new ATOM 940 N PRO B 7 17.111 -4.703 -0.591 1.00 0.00 N ATOM 941 CA PRO B 7 16.224 -5.574 -1.363 1.00 0.00 C ATOM 942 C PRO B 7 14.790 -5.594 -0.798 1.00 0.00 C ATOM 943 O PRO B 7 14.126 -6.634 -0.814 1.00 0.00 O ATOM 944 CB PRO B 7 16.929 -6.935 -1.322 1.00 0.00 C ATOM 945 CG PRO B 7 17.557 -6.965 0.070 1.00 0.00 C ATOM 946 CD PRO B 7 17.880 -5.496 0.359 1.00 0.00 C ATOM 0 HA PRO B 7 16.073 -5.234 -2.388 1.00 0.00 H new ATOM 0 HB2 PRO B 7 16.226 -7.756 -1.464 1.00 0.00 H new ATOM 0 HB3 PRO B 7 17.682 -7.021 -2.105 1.00 0.00 H new ATOM 0 HG2 PRO B 7 16.870 -7.376 0.810 1.00 0.00 H new ATOM 0 HG3 PRO B 7 18.455 -7.583 0.090 1.00 0.00 H new ATOM 0 HD2 PRO B 7 17.615 -5.236 1.384 1.00 0.00 H new ATOM 0 HD3 PRO B 7 18.947 -5.305 0.248 1.00 0.00 H new ATOM 954 N GLN B 8 14.317 -4.451 -0.286 1.00 0.00 N ATOM 955 CA GLN B 8 12.995 -4.280 0.303 1.00 0.00 C ATOM 956 C GLN B 8 12.299 -3.067 -0.313 1.00 0.00 C ATOM 957 O GLN B 8 11.166 -3.193 -0.757 1.00 0.00 O ATOM 958 CB GLN B 8 13.067 -4.155 1.840 1.00 0.00 C ATOM 959 CG GLN B 8 13.006 -5.493 2.602 1.00 0.00 C ATOM 960 CD GLN B 8 14.217 -6.399 2.384 1.00 0.00 C ATOM 961 OE1 GLN B 8 15.354 -5.944 2.421 1.00 0.00 O ATOM 962 NE2 GLN B 8 14.016 -7.697 2.178 1.00 0.00 N ATOM 0 H GLN B 8 14.868 -3.593 -0.273 1.00 0.00 H new ATOM 0 HA GLN B 8 12.408 -5.172 0.081 1.00 0.00 H new ATOM 0 HB2 GLN B 8 13.992 -3.644 2.106 1.00 0.00 H new ATOM 0 HB3 GLN B 8 12.246 -3.523 2.178 1.00 0.00 H new ATOM 0 HG2 GLN B 8 12.909 -5.286 3.668 1.00 0.00 H new ATOM 0 HG3 GLN B 8 12.107 -6.029 2.299 1.00 0.00 H new ATOM 0 HE21 GLN B 8 13.066 -8.068 2.149 1.00 0.00 H new ATOM 0 HE22 GLN B 8 14.812 -8.322 2.049 1.00 0.00 H new ATOM 971 N ARG B 9 12.927 -1.887 -0.310 1.00 0.00 N ATOM 972 CA ARG B 9 12.352 -0.625 -0.780 1.00 0.00 C ATOM 973 C ARG B 9 11.946 -0.730 -2.254 1.00 0.00 C ATOM 974 O ARG B 9 12.779 -0.534 -3.139 1.00 0.00 O ATOM 975 CB ARG B 9 13.396 0.465 -0.531 1.00 0.00 C ATOM 976 CG ARG B 9 13.034 1.865 -1.042 1.00 0.00 C ATOM 977 CD ARG B 9 13.997 2.337 -2.132 1.00 0.00 C ATOM 978 NE ARG B 9 15.370 2.414 -1.591 1.00 0.00 N ATOM 979 CZ ARG B 9 16.098 3.495 -1.303 1.00 0.00 C ATOM 980 NH1 ARG B 9 15.822 4.671 -1.858 1.00 0.00 N ATOM 981 NH2 ARG B 9 17.109 3.408 -0.440 1.00 0.00 N ATOM 0 H ARG B 9 13.882 -1.782 0.032 1.00 0.00 H new ATOM 0 HA ARG B 9 11.437 -0.379 -0.240 1.00 0.00 H new ATOM 0 HB2 ARG B 9 13.581 0.527 0.541 1.00 0.00 H new ATOM 0 HB3 ARG B 9 14.332 0.159 -0.998 1.00 0.00 H new ATOM 0 HG2 ARG B 9 12.017 1.857 -1.434 1.00 0.00 H new ATOM 0 HG3 ARG B 9 13.051 2.571 -0.212 1.00 0.00 H new ATOM 0 HD2 ARG B 9 13.968 1.650 -2.978 1.00 0.00 H new ATOM 0 HD3 ARG B 9 13.688 3.314 -2.504 1.00 0.00 H new ATOM 0 HE ARG B 9 15.824 1.518 -1.413 1.00 0.00 H new ATOM 0 HH11 ARG B 9 15.045 4.756 -2.513 1.00 0.00 H new ATOM 0 HH12 ARG B 9 16.387 5.489 -1.628 1.00 0.00 H new ATOM 0 HH21 ARG B 9 17.327 2.515 0.001 1.00 0.00 H new ATOM 0 HH22 ARG B 9 17.665 4.235 -0.221 1.00 0.00 H new ATOM 995 N HIS B 10 10.676 -1.032 -2.532 1.00 0.00 N ATOM 996 CA HIS B 10 10.201 -1.392 -3.861 1.00 0.00 C ATOM 997 C HIS B 10 8.992 -0.528 -4.220 1.00 0.00 C ATOM 998 O HIS B 10 8.399 0.123 -3.360 1.00 0.00 O ATOM 999 CB HIS B 10 9.881 -2.895 -3.904 1.00 0.00 C ATOM 1000 CG HIS B 10 11.051 -3.843 -3.716 1.00 0.00 C ATOM 1001 ND1 HIS B 10 10.998 -5.108 -3.175 1.00 0.00 N ATOM 1002 CD2 HIS B 10 12.369 -3.584 -3.968 1.00 0.00 C ATOM 1003 CE1 HIS B 10 12.250 -5.593 -3.130 1.00 0.00 C ATOM 1004 NE2 HIS B 10 13.124 -4.703 -3.618 1.00 0.00 N ATOM 0 H HIS B 10 9.940 -1.032 -1.826 1.00 0.00 H new ATOM 0 HA HIS B 10 10.973 -1.202 -4.607 1.00 0.00 H new ATOM 0 HB2 HIS B 10 9.142 -3.108 -3.132 1.00 0.00 H new ATOM 0 HB3 HIS B 10 9.413 -3.117 -4.863 1.00 0.00 H new ATOM 0 HD1 HIS B 10 10.156 -5.592 -2.863 1.00 0.00 H new ATOM 0 HD2 HIS B 10 12.762 -2.663 -4.372 1.00 0.00 H new ATOM 0 HE1 HIS B 10 12.516 -6.569 -2.751 1.00 0.00 H new ATOM 1012 N LYS B 11 8.647 -0.484 -5.511 1.00 0.00 N ATOM 1013 CA LYS B 11 7.729 0.497 -6.076 1.00 0.00 C ATOM 1014 C LYS B 11 6.792 -0.202 -7.048 1.00 0.00 C ATOM 1015 O LYS B 11 7.140 -0.394 -8.213 1.00 0.00 O ATOM 1016 CB LYS B 11 8.491 1.653 -6.750 1.00 0.00 C ATOM 1017 CG LYS B 11 9.158 2.612 -5.747 1.00 0.00 C ATOM 1018 CD LYS B 11 10.684 2.466 -5.627 1.00 0.00 C ATOM 1019 CE LYS B 11 11.447 2.942 -6.875 1.00 0.00 C ATOM 1020 NZ LYS B 11 11.251 4.383 -7.159 1.00 0.00 N ATOM 0 H LYS B 11 9.007 -1.143 -6.201 1.00 0.00 H new ATOM 0 HA LYS B 11 7.138 0.941 -5.275 1.00 0.00 H new ATOM 0 HB2 LYS B 11 9.254 1.240 -7.409 1.00 0.00 H new ATOM 0 HB3 LYS B 11 7.800 2.217 -7.377 1.00 0.00 H new ATOM 0 HG2 LYS B 11 8.928 3.637 -6.038 1.00 0.00 H new ATOM 0 HG3 LYS B 11 8.714 2.453 -4.764 1.00 0.00 H new ATOM 0 HD2 LYS B 11 11.028 3.033 -4.762 1.00 0.00 H new ATOM 0 HD3 LYS B 11 10.927 1.420 -5.439 1.00 0.00 H new ATOM 0 HE2 LYS B 11 12.511 2.745 -6.741 1.00 0.00 H new ATOM 0 HE3 LYS B 11 11.121 2.360 -7.737 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 11.937 4.692 -7.877 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 10.286 4.539 -7.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 11.392 4.931 -6.287 1.00 0.00 H new ATOM 1034 N ILE B 12 5.614 -0.601 -6.569 1.00 0.00 N ATOM 1035 CA ILE B 12 4.570 -1.130 -7.434 1.00 0.00 C ATOM 1036 C ILE B 12 3.844 0.084 -8.008 1.00 0.00 C ATOM 1037 O ILE B 12 2.953 0.641 -7.381 1.00 0.00 O ATOM 1038 CB ILE B 12 3.599 -2.080 -6.699 1.00 0.00 C ATOM 1039 CG1 ILE B 12 4.321 -3.162 -5.873 1.00 0.00 C ATOM 1040 CG2 ILE B 12 2.638 -2.692 -7.739 1.00 0.00 C ATOM 1041 CD1 ILE B 12 3.353 -3.913 -4.955 1.00 0.00 C ATOM 0 H ILE B 12 5.362 -0.566 -5.581 1.00 0.00 H new ATOM 0 HA ILE B 12 5.008 -1.745 -8.220 1.00 0.00 H new ATOM 0 HB ILE B 12 3.034 -1.503 -5.967 1.00 0.00 H new ATOM 0 HG12 ILE B 12 4.808 -3.869 -6.545 1.00 0.00 H new ATOM 0 HG13 ILE B 12 5.106 -2.700 -5.274 1.00 0.00 H new ATOM 0 HG21 ILE B 12 1.943 -3.367 -7.239 1.00 0.00 H new ATOM 0 HG22 ILE B 12 2.080 -1.896 -8.231 1.00 0.00 H new ATOM 0 HG23 ILE B 12 3.211 -3.246 -8.482 1.00 0.00 H new ATOM 0 HD11 ILE B 12 3.900 -4.667 -4.389 1.00 0.00 H new ATOM 0 HD12 ILE B 12 2.886 -3.210 -4.265 1.00 0.00 H new ATOM 0 HD13 ILE B 12 2.583 -4.397 -5.556 1.00 0.00 H new ATOM 1053 N LEU B 13 4.225 0.528 -9.199 1.00 0.00 N ATOM 1054 CA LEU B 13 3.420 1.466 -9.949 1.00 0.00 C ATOM 1055 C LEU B 13 2.092 0.799 -10.280 1.00 0.00 C ATOM 1056 O LEU B 13 2.040 -0.118 -11.098 1.00 0.00 O ATOM 1057 CB LEU B 13 4.160 1.990 -11.181 1.00 0.00 C ATOM 1058 CG LEU B 13 3.413 3.193 -11.797 1.00 0.00 C ATOM 1059 CD1 LEU B 13 4.443 4.143 -12.403 1.00 0.00 C ATOM 1060 CD2 LEU B 13 2.395 2.804 -12.878 1.00 0.00 C ATOM 0 H LEU B 13 5.090 0.249 -9.662 1.00 0.00 H new ATOM 0 HA LEU B 13 3.219 2.353 -9.348 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.172 2.287 -10.905 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.252 1.195 -11.921 1.00 0.00 H new ATOM 0 HG LEU B 13 2.846 3.663 -10.993 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.933 5.000 -12.843 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.123 4.487 -11.624 1.00 0.00 H new ATOM 0 HD13 LEU B 13 5.009 3.622 -13.175 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.911 3.702 -13.262 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.907 2.291 -13.692 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.643 2.143 -12.448 1.00 0.00 H new ATOM 1072 N CYS B 14 1.033 1.267 -9.625 1.00 0.00 N ATOM 1073 CA CYS B 14 -0.336 0.929 -9.952 1.00 0.00 C ATOM 1074 C CYS B 14 -1.091 2.219 -10.289 1.00 0.00 C ATOM 1075 O CYS B 14 -0.505 3.305 -10.372 1.00 0.00 O ATOM 1076 CB CYS B 14 -0.959 0.151 -8.783 1.00 0.00 C ATOM 1077 SG CYS B 14 -2.299 -0.913 -9.386 1.00 0.00 S ATOM 0 H CYS B 14 1.112 1.907 -8.834 1.00 0.00 H new ATOM 0 HA CYS B 14 -0.390 0.280 -10.826 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -0.197 -0.454 -8.291 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -1.344 0.846 -8.037 1.00 0.00 H new ATOM 0 HG CYS B 14 -2.641 -1.751 -8.453 1.00 0.00 H new ATOM 1083 N VAL B 15 -2.404 2.097 -10.470 1.00 0.00 N ATOM 1084 CA VAL B 15 -3.305 3.225 -10.610 1.00 0.00 C ATOM 1085 C VAL B 15 -4.326 3.182 -9.479 1.00 0.00 C ATOM 1086 O VAL B 15 -4.620 2.122 -8.922 1.00 0.00 O ATOM 1087 CB VAL B 15 -3.952 3.275 -12.007 1.00 0.00 C ATOM 1088 CG1 VAL B 15 -2.902 3.639 -13.066 1.00 0.00 C ATOM 1089 CG2 VAL B 15 -4.653 1.960 -12.383 1.00 0.00 C ATOM 0 H VAL B 15 -2.874 1.193 -10.524 1.00 0.00 H new ATOM 0 HA VAL B 15 -2.742 4.155 -10.528 1.00 0.00 H new ATOM 0 HB VAL B 15 -4.721 4.047 -11.974 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -3.372 3.671 -14.049 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -2.476 4.616 -12.836 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -2.111 2.889 -13.067 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -5.091 2.052 -13.377 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -3.927 1.147 -12.380 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -5.439 1.747 -11.659 1.00 0.00 H new ATOM 1099 N CYS B 16 -4.836 4.357 -9.123 1.00 0.00 N ATOM 1100 CA CYS B 16 -5.790 4.521 -8.050 1.00 0.00 C ATOM 1101 C CYS B 16 -7.129 3.902 -8.441 1.00 0.00 C ATOM 1102 O CYS B 16 -7.669 4.209 -9.504 1.00 0.00 O ATOM 1103 CB CYS B 16 -5.988 6.014 -7.798 1.00 0.00 C ATOM 1104 SG CYS B 16 -6.812 6.175 -6.214 1.00 0.00 S ATOM 0 H CYS B 16 -4.589 5.232 -9.585 1.00 0.00 H new ATOM 0 HA CYS B 16 -5.417 4.027 -7.153 1.00 0.00 H new ATOM 0 HB2 CYS B 16 -5.030 6.534 -7.789 1.00 0.00 H new ATOM 0 HB3 CYS B 16 -6.586 6.463 -8.591 1.00 0.00 H new ATOM 0 HG CYS B 16 -7.315 7.369 -6.106 1.00 0.00 H new ATOM 1109 N CYS B 17 -7.702 3.112 -7.535 1.00 0.00 N ATOM 1110 CA CYS B 17 -8.940 2.374 -7.752 1.00 0.00 C ATOM 1111 C CYS B 17 -10.096 3.294 -8.177 1.00 0.00 C ATOM 1112 O CYS B 17 -10.871 2.929 -9.059 1.00 0.00 O ATOM 1113 CB CYS B 17 -9.275 1.623 -6.459 1.00 0.00 C ATOM 1114 SG CYS B 17 -10.624 0.440 -6.673 1.00 0.00 S ATOM 0 H CYS B 17 -7.306 2.965 -6.606 1.00 0.00 H new ATOM 0 HA CYS B 17 -8.801 1.670 -8.572 1.00 0.00 H new ATOM 0 HB2 CYS B 17 -8.387 1.097 -6.108 1.00 0.00 H new ATOM 0 HB3 CYS B 17 -9.546 2.342 -5.685 1.00 0.00 H new ATOM 0 HG CYS B 17 -11.352 0.413 -5.596 1.00 0.00 H new ATOM 1120 N LYS B 18 -10.217 4.490 -7.573 1.00 0.00 N ATOM 1121 CA LYS B 18 -11.393 5.342 -7.732 1.00 0.00 C ATOM 1122 C LYS B 18 -11.158 6.580 -8.596 1.00 0.00 C ATOM 1123 O LYS B 18 -12.131 7.245 -8.943 1.00 0.00 O ATOM 1124 CB LYS B 18 -11.947 5.691 -6.343 1.00 0.00 C ATOM 1125 CG LYS B 18 -11.084 6.678 -5.540 1.00 0.00 C ATOM 1126 CD LYS B 18 -11.638 8.103 -5.445 1.00 0.00 C ATOM 1127 CE LYS B 18 -12.803 8.197 -4.458 1.00 0.00 C ATOM 1128 NZ LYS B 18 -12.970 9.582 -3.964 1.00 0.00 N ATOM 0 H LYS B 18 -9.501 4.886 -6.964 1.00 0.00 H new ATOM 0 HA LYS B 18 -12.138 4.776 -8.290 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.945 6.113 -6.460 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -12.055 4.772 -5.768 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.957 6.287 -4.531 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -10.093 6.720 -5.992 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -10.843 8.782 -5.135 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -11.970 8.430 -6.430 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -13.722 7.867 -4.942 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -12.627 7.526 -3.617 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -13.950 9.721 -3.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -12.321 9.748 -3.169 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -12.757 10.252 -4.730 1.00 0.00 H new ATOM 1142 N CYS B 19 -9.905 6.920 -8.929 1.00 0.00 N ATOM 1143 CA CYS B 19 -9.576 8.083 -9.727 1.00 0.00 C ATOM 1144 C CYS B 19 -8.534 7.821 -10.824 1.00 0.00 C ATOM 1145 O CYS B 19 -8.142 8.775 -11.491 1.00 0.00 O ATOM 1146 CB CYS B 19 -9.147 9.200 -8.774 1.00 0.00 C ATOM 1147 SG CYS B 19 -7.629 8.971 -7.813 1.00 0.00 S ATOM 0 H CYS B 19 -9.089 6.380 -8.642 1.00 0.00 H new ATOM 0 HA CYS B 19 -10.465 8.379 -10.285 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -9.036 10.112 -9.360 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -9.963 9.370 -8.072 1.00 0.00 H new ATOM 1152 N ASP B 20 -8.079 6.571 -11.013 1.00 0.00 N ATOM 1153 CA ASP B 20 -7.118 6.139 -12.042 1.00 0.00 C ATOM 1154 C ASP B 20 -5.773 6.887 -11.993 1.00 0.00 C ATOM 1155 O ASP B 20 -4.989 6.860 -12.940 1.00 0.00 O ATOM 1156 CB ASP B 20 -7.782 6.158 -13.432 1.00 0.00 C ATOM 1157 CG ASP B 20 -7.004 5.347 -14.476 1.00 0.00 C ATOM 1158 OD1 ASP B 20 -6.579 4.221 -14.132 1.00 0.00 O ATOM 1159 OD2 ASP B 20 -6.903 5.834 -15.625 1.00 0.00 O ATOM 0 H ASP B 20 -8.386 5.797 -10.424 1.00 0.00 H new ATOM 0 HA ASP B 20 -6.844 5.108 -11.818 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -8.794 5.761 -13.351 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -7.871 7.190 -13.773 1.00 0.00 H new ATOM 1164 N GLY B 21 -5.474 7.562 -10.875 1.00 0.00 N ATOM 1165 CA GLY B 21 -4.252 8.349 -10.764 1.00 0.00 C ATOM 1166 C GLY B 21 -3.051 7.426 -10.626 1.00 0.00 C ATOM 1167 O GLY B 21 -3.149 6.369 -10.014 1.00 0.00 O ATOM 0 H GLY B 21 -6.062 7.575 -10.042 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -4.136 8.982 -11.644 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -4.313 9.012 -9.901 1.00 0.00 H new ATOM 1171 N ARG B 22 -1.911 7.855 -11.160 1.00 0.00 N ATOM 1172 CA ARG B 22 -0.638 7.132 -11.135 1.00 0.00 C ATOM 1173 C ARG B 22 -0.136 7.049 -9.696 1.00 0.00 C ATOM 1174 O ARG B 22 0.207 8.089 -9.131 1.00 0.00 O ATOM 1175 CB ARG B 22 0.349 7.874 -12.056 1.00 0.00 C ATOM 1176 CG ARG B 22 1.757 7.264 -12.190 1.00 0.00 C ATOM 1177 CD ARG B 22 2.796 7.854 -11.218 1.00 0.00 C ATOM 1178 NE ARG B 22 4.165 7.504 -11.636 1.00 0.00 N ATOM 1179 CZ ARG B 22 5.265 7.528 -10.870 1.00 0.00 C ATOM 1180 NH1 ARG B 22 5.279 8.088 -9.665 1.00 0.00 N ATOM 1181 NH2 ARG B 22 6.390 6.949 -11.277 1.00 0.00 N ATOM 0 H ARG B 22 -1.843 8.751 -11.642 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.749 6.110 -11.499 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.092 7.934 -13.051 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.453 8.896 -11.691 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.692 6.188 -12.026 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.108 7.410 -13.212 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.689 8.938 -11.179 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.612 7.479 -10.211 1.00 0.00 H new ATOM 0 HE ARG B 22 4.288 7.214 -12.606 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.433 8.519 -9.293 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.136 8.086 -9.112 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.423 6.479 -12.182 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.220 6.974 -10.685 1.00 0.00 H new ATOM 1195 N ILE B 23 -0.052 5.845 -9.114 1.00 0.00 N ATOM 1196 CA ILE B 23 0.480 5.665 -7.768 1.00 0.00 C ATOM 1197 C ILE B 23 1.681 4.726 -7.837 1.00 0.00 C ATOM 1198 O ILE B 23 1.537 3.527 -8.056 1.00 0.00 O ATOM 1199 CB ILE B 23 -0.564 5.158 -6.746 1.00 0.00 C ATOM 1200 CG1 ILE B 23 -1.933 5.866 -6.806 1.00 0.00 C ATOM 1201 CG2 ILE B 23 0.072 5.375 -5.357 1.00 0.00 C ATOM 1202 CD1 ILE B 23 -2.961 5.267 -5.837 1.00 0.00 C ATOM 0 H ILE B 23 -0.350 4.979 -9.563 1.00 0.00 H new ATOM 0 HA ILE B 23 0.782 6.646 -7.400 1.00 0.00 H new ATOM 0 HB ILE B 23 -0.788 4.115 -6.971 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -1.799 6.923 -6.577 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -2.322 5.807 -7.822 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -0.618 5.036 -4.584 1.00 0.00 H new ATOM 0 HG22 ILE B 23 1.000 4.808 -5.289 1.00 0.00 H new ATOM 0 HG23 ILE B 23 0.283 6.435 -5.215 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -3.903 5.808 -5.926 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -3.121 4.217 -6.080 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -2.590 5.351 -4.816 1.00 0.00 H new ATOM 1214 N GLU B 24 2.873 5.275 -7.618 1.00 0.00 N ATOM 1215 CA GLU B 24 4.096 4.517 -7.402 1.00 0.00 C ATOM 1216 C GLU B 24 4.110 4.008 -5.957 1.00 0.00 C ATOM 1217 O GLU B 24 4.678 4.644 -5.063 1.00 0.00 O ATOM 1218 CB GLU B 24 5.261 5.424 -7.791 1.00 0.00 C ATOM 1219 CG GLU B 24 6.627 4.744 -7.745 1.00 0.00 C ATOM 1220 CD GLU B 24 7.764 5.637 -8.268 1.00 0.00 C ATOM 1221 OE1 GLU B 24 7.478 6.705 -8.870 1.00 0.00 O ATOM 1222 OE2 GLU B 24 8.932 5.216 -8.103 1.00 0.00 O ATOM 0 H GLU B 24 3.016 6.284 -7.586 1.00 0.00 H new ATOM 0 HA GLU B 24 4.174 3.622 -8.019 1.00 0.00 H new ATOM 0 HB2 GLU B 24 5.090 5.803 -8.798 1.00 0.00 H new ATOM 0 HB3 GLU B 24 5.274 6.286 -7.124 1.00 0.00 H new ATOM 0 HG2 GLU B 24 6.846 4.452 -6.718 1.00 0.00 H new ATOM 0 HG3 GLU B 24 6.591 3.829 -8.336 1.00 0.00 H new ATOM 1229 N LEU B 25 3.415 2.883 -5.728 1.00 0.00 N ATOM 1230 CA LEU B 25 3.174 2.309 -4.409 1.00 0.00 C ATOM 1231 C LEU B 25 4.514 1.890 -3.823 1.00 0.00 C ATOM 1232 O LEU B 25 5.029 0.819 -4.156 1.00 0.00 O ATOM 1233 CB LEU B 25 2.235 1.089 -4.448 1.00 0.00 C ATOM 1234 CG LEU B 25 0.900 1.281 -5.181 1.00 0.00 C ATOM 1235 CD1 LEU B 25 0.225 -0.074 -5.400 1.00 0.00 C ATOM 1236 CD2 LEU B 25 -0.040 2.147 -4.338 1.00 0.00 C ATOM 0 H LEU B 25 2.996 2.337 -6.481 1.00 0.00 H new ATOM 0 HA LEU B 25 2.684 3.066 -3.797 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.768 0.262 -4.918 1.00 0.00 H new ATOM 0 HB3 LEU B 25 2.022 0.788 -3.422 1.00 0.00 H new ATOM 0 HG LEU B 25 1.101 1.763 -6.138 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.722 0.071 -5.921 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.875 -0.712 -5.999 1.00 0.00 H new ATOM 0 HD13 LEU B 25 0.040 -0.548 -4.436 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -0.985 2.278 -4.865 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.224 1.659 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU B 25 0.418 3.121 -4.167 1.00 0.00 H new ATOM 1248 N THR B 26 5.102 2.749 -2.994 1.00 0.00 N ATOM 1249 CA THR B 26 6.398 2.466 -2.419 1.00 0.00 C ATOM 1250 C THR B 26 6.156 1.629 -1.165 1.00 0.00 C ATOM 1251 O THR B 26 5.803 2.139 -0.099 1.00 0.00 O ATOM 1252 CB THR B 26 7.231 3.738 -2.260 1.00 0.00 C ATOM 1253 OG1 THR B 26 7.231 4.425 -3.504 1.00 0.00 O ATOM 1254 CG2 THR B 26 8.681 3.395 -1.893 1.00 0.00 C ATOM 0 H THR B 26 4.697 3.641 -2.711 1.00 0.00 H new ATOM 0 HA THR B 26 7.032 1.870 -3.075 1.00 0.00 H new ATOM 0 HB THR B 26 6.802 4.351 -1.467 1.00 0.00 H new ATOM 0 HG1 THR B 26 8.151 4.655 -3.750 1.00 0.00 H new ATOM 0 HG21 THR B 26 9.256 4.315 -1.785 1.00 0.00 H new ATOM 0 HG22 THR B 26 8.698 2.844 -0.953 1.00 0.00 H new ATOM 0 HG23 THR B 26 9.121 2.783 -2.680 1.00 0.00 H new ATOM 1262 N VAL B 27 6.263 0.314 -1.350 1.00 0.00 N ATOM 1263 CA VAL B 27 6.043 -0.694 -0.324 1.00 0.00 C ATOM 1264 C VAL B 27 7.425 -1.321 -0.151 1.00 0.00 C ATOM 1265 O VAL B 27 8.098 -1.684 -1.121 1.00 0.00 O ATOM 1266 CB VAL B 27 4.870 -1.653 -0.683 1.00 0.00 C ATOM 1267 CG1 VAL B 27 3.651 -0.874 -1.202 1.00 0.00 C ATOM 1268 CG2 VAL B 27 5.249 -2.684 -1.754 1.00 0.00 C ATOM 0 H VAL B 27 6.515 -0.089 -2.253 1.00 0.00 H new ATOM 0 HA VAL B 27 5.691 -0.306 0.632 1.00 0.00 H new ATOM 0 HB VAL B 27 4.631 -2.172 0.245 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.849 -1.572 -1.444 1.00 0.00 H new ATOM 0 HG12 VAL B 27 3.309 -0.180 -0.434 1.00 0.00 H new ATOM 0 HG13 VAL B 27 3.929 -0.317 -2.097 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.392 -3.324 -1.962 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.547 -2.168 -2.667 1.00 0.00 H new ATOM 0 HG23 VAL B 27 6.078 -3.294 -1.395 1.00 0.00 H new ATOM 1278 N GLU B 28 7.916 -1.325 1.081 1.00 0.00 N ATOM 1279 CA GLU B 28 9.291 -1.672 1.362 1.00 0.00 C ATOM 1280 C GLU B 28 9.228 -3.089 1.929 1.00 0.00 C ATOM 1281 O GLU B 28 8.965 -3.271 3.118 1.00 0.00 O ATOM 1282 CB GLU B 28 9.976 -0.576 2.206 1.00 0.00 C ATOM 1283 CG GLU B 28 9.765 0.846 1.687 1.00 0.00 C ATOM 1284 CD GLU B 28 10.879 1.786 2.184 1.00 0.00 C ATOM 1285 OE1 GLU B 28 11.295 1.639 3.356 1.00 0.00 O ATOM 1286 OE2 GLU B 28 11.274 2.691 1.411 1.00 0.00 O ATOM 0 H GLU B 28 7.369 -1.087 1.908 1.00 0.00 H new ATOM 0 HA GLU B 28 9.949 -1.699 0.494 1.00 0.00 H new ATOM 0 HB2 GLU B 28 9.603 -0.636 3.228 1.00 0.00 H new ATOM 0 HB3 GLU B 28 11.046 -0.780 2.245 1.00 0.00 H new ATOM 0 HG2 GLU B 28 9.748 0.840 0.597 1.00 0.00 H new ATOM 0 HG3 GLU B 28 8.796 1.218 2.019 1.00 0.00 H new ATOM 1293 N SER B 29 9.338 -4.089 1.040 1.00 0.00 N ATOM 1294 CA SER B 29 9.232 -5.505 1.377 1.00 0.00 C ATOM 1295 C SER B 29 10.015 -6.340 0.385 1.00 0.00 C ATOM 1296 O SER B 29 10.179 -5.949 -0.767 1.00 0.00 O ATOM 1297 CB SER B 29 7.789 -6.007 1.304 1.00 0.00 C ATOM 1298 OG SER B 29 7.685 -7.106 2.190 1.00 0.00 O ATOM 0 H SER B 29 9.507 -3.925 0.048 1.00 0.00 H new ATOM 0 HA SER B 29 9.617 -5.604 2.392 1.00 0.00 H new ATOM 0 HB2 SER B 29 7.092 -5.218 1.586 1.00 0.00 H new ATOM 0 HB3 SER B 29 7.537 -6.307 0.287 1.00 0.00 H new ATOM 0 HG SER B 29 6.769 -7.454 2.173 1.00 0.00 H new ATOM 1304 N SER B 30 10.410 -7.533 0.818 1.00 0.00 N ATOM 1305 CA SER B 30 11.113 -8.518 0.016 1.00 0.00 C ATOM 1306 C SER B 30 10.353 -8.765 -1.292 1.00 0.00 C ATOM 1307 O SER B 30 9.121 -8.789 -1.305 1.00 0.00 O ATOM 1308 CB SER B 30 11.257 -9.795 0.849 1.00 0.00 C ATOM 1309 OG SER B 30 11.644 -9.468 2.180 1.00 0.00 O ATOM 0 H SER B 30 10.241 -7.848 1.773 1.00 0.00 H new ATOM 0 HA SER B 30 12.107 -8.163 -0.257 1.00 0.00 H new ATOM 0 HB2 SER B 30 10.313 -10.340 0.860 1.00 0.00 H new ATOM 0 HB3 SER B 30 12.000 -10.452 0.397 1.00 0.00 H new ATOM 0 HG SER B 30 10.844 -9.304 2.722 1.00 0.00 H new ATOM 1315 N ALA B 31 11.076 -8.942 -2.404 1.00 0.00 N ATOM 1316 CA ALA B 31 10.480 -8.882 -3.737 1.00 0.00 C ATOM 1317 C ALA B 31 9.304 -9.843 -3.918 1.00 0.00 C ATOM 1318 O ALA B 31 8.345 -9.500 -4.607 1.00 0.00 O ATOM 1319 CB ALA B 31 11.550 -9.158 -4.796 1.00 0.00 C ATOM 0 H ALA B 31 12.079 -9.129 -2.403 1.00 0.00 H new ATOM 0 HA ALA B 31 10.080 -7.875 -3.858 1.00 0.00 H new ATOM 0 HB1 ALA B 31 11.101 -9.112 -5.788 1.00 0.00 H new ATOM 0 HB2 ALA B 31 12.339 -8.409 -4.720 1.00 0.00 H new ATOM 0 HB3 ALA B 31 11.974 -10.149 -4.635 1.00 0.00 H new ATOM 1325 N GLU B 32 9.342 -11.023 -3.289 1.00 0.00 N ATOM 1326 CA GLU B 32 8.320 -12.031 -3.505 1.00 0.00 C ATOM 1327 C GLU B 32 7.221 -12.036 -2.444 1.00 0.00 C ATOM 1328 O GLU B 32 6.113 -12.520 -2.685 1.00 0.00 O ATOM 1329 CB GLU B 32 8.956 -13.399 -3.736 1.00 0.00 C ATOM 1330 CG GLU B 32 8.250 -14.032 -4.948 1.00 0.00 C ATOM 1331 CD GLU B 32 8.842 -15.330 -5.491 1.00 0.00 C ATOM 1332 OE1 GLU B 32 9.642 -15.980 -4.787 1.00 0.00 O ATOM 1333 OE2 GLU B 32 8.459 -15.642 -6.646 1.00 0.00 O ATOM 0 H GLU B 32 10.071 -11.295 -2.629 1.00 0.00 H new ATOM 0 HA GLU B 32 7.790 -11.760 -4.418 1.00 0.00 H new ATOM 0 HB2 GLU B 32 10.025 -13.299 -3.923 1.00 0.00 H new ATOM 0 HB3 GLU B 32 8.844 -14.029 -2.854 1.00 0.00 H new ATOM 0 HG2 GLU B 32 7.212 -14.221 -4.676 1.00 0.00 H new ATOM 0 HG3 GLU B 32 8.240 -13.300 -5.755 1.00 0.00 H new ATOM 1340 N ASP B 33 7.486 -11.394 -1.308 1.00 0.00 N ATOM 1341 CA ASP B 33 6.464 -10.925 -0.397 1.00 0.00 C ATOM 1342 C ASP B 33 5.609 -9.881 -1.143 1.00 0.00 C ATOM 1343 O ASP B 33 4.384 -9.994 -1.202 1.00 0.00 O ATOM 1344 CB ASP B 33 7.180 -10.407 0.858 1.00 0.00 C ATOM 1345 CG ASP B 33 6.251 -9.808 1.898 1.00 0.00 C ATOM 1346 OD1 ASP B 33 5.916 -8.611 1.722 1.00 0.00 O ATOM 1347 OD2 ASP B 33 6.000 -10.505 2.908 1.00 0.00 O ATOM 0 H ASP B 33 8.435 -11.186 -0.997 1.00 0.00 H new ATOM 0 HA ASP B 33 5.771 -11.699 -0.066 1.00 0.00 H new ATOM 0 HB2 ASP B 33 7.735 -11.228 1.312 1.00 0.00 H new ATOM 0 HB3 ASP B 33 7.910 -9.654 0.562 1.00 0.00 H new ATOM 1352 N LEU B 34 6.272 -8.959 -1.858 1.00 0.00 N ATOM 1353 CA LEU B 34 5.651 -7.959 -2.723 1.00 0.00 C ATOM 1354 C LEU B 34 4.870 -8.603 -3.872 1.00 0.00 C ATOM 1355 O LEU B 34 3.777 -8.177 -4.215 1.00 0.00 O ATOM 1356 CB LEU B 34 6.725 -6.958 -3.201 1.00 0.00 C ATOM 1357 CG LEU B 34 6.412 -6.170 -4.497 1.00 0.00 C ATOM 1358 CD1 LEU B 34 7.125 -4.818 -4.415 1.00 0.00 C ATOM 1359 CD2 LEU B 34 6.910 -6.841 -5.789 1.00 0.00 C ATOM 0 H LEU B 34 7.290 -8.892 -1.845 1.00 0.00 H new ATOM 0 HA LEU B 34 4.907 -7.402 -2.153 1.00 0.00 H new ATOM 0 HB2 LEU B 34 6.902 -6.240 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU B 34 7.657 -7.504 -3.351 1.00 0.00 H new ATOM 0 HG LEU B 34 5.326 -6.102 -4.553 1.00 0.00 H new ATOM 0 HD11 LEU B 34 6.920 -4.243 -5.318 1.00 0.00 H new ATOM 0 HD12 LEU B 34 6.764 -4.269 -3.545 1.00 0.00 H new ATOM 0 HD13 LEU B 34 8.199 -4.978 -4.323 1.00 0.00 H new ATOM 0 HD21 LEU B 34 6.648 -6.220 -6.646 1.00 0.00 H new ATOM 0 HD22 LEU B 34 7.993 -6.958 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU B 34 6.443 -7.820 -5.894 1.00 0.00 H new ATOM 1371 N ARG B 35 5.447 -9.633 -4.470 1.00 0.00 N ATOM 1372 CA ARG B 35 4.890 -10.426 -5.570 1.00 0.00 C ATOM 1373 C ARG B 35 3.643 -11.135 -5.091 1.00 0.00 C ATOM 1374 O ARG B 35 2.644 -11.128 -5.797 1.00 0.00 O ATOM 1375 CB ARG B 35 5.874 -11.480 -6.095 1.00 0.00 C ATOM 1376 CG ARG B 35 5.405 -12.156 -7.394 1.00 0.00 C ATOM 1377 CD ARG B 35 6.317 -13.322 -7.801 1.00 0.00 C ATOM 1378 NE ARG B 35 5.821 -13.973 -9.022 1.00 0.00 N ATOM 1379 CZ ARG B 35 6.187 -15.174 -9.497 1.00 0.00 C ATOM 1380 NH1 ARG B 35 7.101 -15.936 -8.895 1.00 0.00 N ATOM 1381 NH2 ARG B 35 5.612 -15.625 -10.614 1.00 0.00 N ATOM 0 H ARG B 35 6.371 -9.962 -4.189 1.00 0.00 H new ATOM 0 HA ARG B 35 4.669 -9.736 -6.384 1.00 0.00 H new ATOM 0 HB2 ARG B 35 6.842 -11.009 -6.267 1.00 0.00 H new ATOM 0 HB3 ARG B 35 6.022 -12.242 -5.330 1.00 0.00 H new ATOM 0 HG2 ARG B 35 4.386 -12.521 -7.264 1.00 0.00 H new ATOM 0 HG3 ARG B 35 5.380 -11.419 -8.197 1.00 0.00 H new ATOM 0 HD2 ARG B 35 7.331 -12.956 -7.965 1.00 0.00 H new ATOM 0 HD3 ARG B 35 6.368 -14.049 -6.991 1.00 0.00 H new ATOM 0 HE ARG B 35 5.127 -13.459 -9.565 1.00 0.00 H new ATOM 0 HH11 ARG B 35 7.551 -15.612 -8.039 1.00 0.00 H new ATOM 0 HH12 ARG B 35 7.350 -16.843 -9.290 1.00 0.00 H new ATOM 0 HH21 ARG B 35 4.909 -15.060 -11.090 1.00 0.00 H new ATOM 0 HH22 ARG B 35 5.876 -16.535 -10.992 1.00 0.00 H new ATOM 1395 N THR B 36 3.694 -11.743 -3.910 1.00 0.00 N ATOM 1396 CA THR B 36 2.525 -12.358 -3.293 1.00 0.00 C ATOM 1397 C THR B 36 1.422 -11.298 -3.173 1.00 0.00 C ATOM 1398 O THR B 36 0.310 -11.506 -3.658 1.00 0.00 O ATOM 1399 CB THR B 36 2.910 -13.006 -1.950 1.00 0.00 C ATOM 1400 OG1 THR B 36 4.007 -13.883 -2.131 1.00 0.00 O ATOM 1401 CG2 THR B 36 1.755 -13.834 -1.375 1.00 0.00 C ATOM 0 H THR B 36 4.546 -11.823 -3.355 1.00 0.00 H new ATOM 0 HA THR B 36 2.135 -13.168 -3.910 1.00 0.00 H new ATOM 0 HB THR B 36 3.161 -12.196 -1.265 1.00 0.00 H new ATOM 0 HG1 THR B 36 4.842 -13.404 -1.948 1.00 0.00 H new ATOM 0 HG21 THR B 36 2.061 -14.277 -0.427 1.00 0.00 H new ATOM 0 HG22 THR B 36 0.891 -13.190 -1.212 1.00 0.00 H new ATOM 0 HG23 THR B 36 1.490 -14.625 -2.076 1.00 0.00 H new ATOM 1409 N LEU B 37 1.762 -10.116 -2.649 1.00 0.00 N ATOM 1410 CA LEU B 37 0.900 -8.935 -2.627 1.00 0.00 C ATOM 1411 C LEU B 37 0.411 -8.550 -4.042 1.00 0.00 C ATOM 1412 O LEU B 37 -0.751 -8.193 -4.223 1.00 0.00 O ATOM 1413 CB LEU B 37 1.644 -7.819 -1.856 1.00 0.00 C ATOM 1414 CG LEU B 37 1.643 -6.419 -2.484 1.00 0.00 C ATOM 1415 CD1 LEU B 37 0.284 -5.713 -2.240 1.00 0.00 C ATOM 1416 CD2 LEU B 37 2.704 -5.560 -1.807 1.00 0.00 C ATOM 0 H LEU B 37 2.671 -9.952 -2.217 1.00 0.00 H new ATOM 0 HA LEU B 37 -0.030 -9.136 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU B 37 1.205 -7.744 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU B 37 2.680 -8.131 -1.725 1.00 0.00 H new ATOM 0 HG LEU B 37 1.832 -6.532 -3.551 1.00 0.00 H new ATOM 0 HD11 LEU B 37 0.303 -4.722 -2.693 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.517 -6.301 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU B 37 0.110 -5.619 -1.168 1.00 0.00 H new ATOM 0 HD21 LEU B 37 2.705 -4.565 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU B 37 2.484 -5.481 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU B 37 3.684 -6.018 -1.942 1.00 0.00 H new ATOM 1428 N GLN B 38 1.247 -8.664 -5.075 1.00 0.00 N ATOM 1429 CA GLN B 38 0.857 -8.395 -6.447 1.00 0.00 C ATOM 1430 C GLN B 38 -0.142 -9.455 -6.935 1.00 0.00 C ATOM 1431 O GLN B 38 -1.014 -9.139 -7.740 1.00 0.00 O ATOM 1432 CB GLN B 38 2.117 -8.331 -7.308 1.00 0.00 C ATOM 1433 CG GLN B 38 1.887 -8.043 -8.790 1.00 0.00 C ATOM 1434 CD GLN B 38 3.238 -8.143 -9.483 1.00 0.00 C ATOM 1435 OE1 GLN B 38 3.575 -9.169 -10.063 1.00 0.00 O ATOM 1436 NE2 GLN B 38 4.071 -7.120 -9.343 1.00 0.00 N ATOM 0 H GLN B 38 2.221 -8.949 -4.975 1.00 0.00 H new ATOM 0 HA GLN B 38 0.346 -7.435 -6.521 1.00 0.00 H new ATOM 0 HB2 GLN B 38 2.773 -7.560 -6.904 1.00 0.00 H new ATOM 0 HB3 GLN B 38 2.646 -9.280 -7.218 1.00 0.00 H new ATOM 0 HG2 GLN B 38 1.182 -8.757 -9.216 1.00 0.00 H new ATOM 0 HG3 GLN B 38 1.457 -7.051 -8.927 1.00 0.00 H new ATOM 0 HE21 GLN B 38 3.766 -6.277 -8.856 1.00 0.00 H new ATOM 0 HE22 GLN B 38 5.016 -7.176 -9.722 1.00 0.00 H new ATOM 1445 N GLN B 39 -0.071 -10.694 -6.430 1.00 0.00 N ATOM 1446 CA GLN B 39 -1.072 -11.702 -6.730 1.00 0.00 C ATOM 1447 C GLN B 39 -2.388 -11.350 -6.034 1.00 0.00 C ATOM 1448 O GLN B 39 -3.448 -11.573 -6.611 1.00 0.00 O ATOM 1449 CB GLN B 39 -0.631 -13.126 -6.376 1.00 0.00 C ATOM 1450 CG GLN B 39 0.768 -13.535 -6.860 1.00 0.00 C ATOM 1451 CD GLN B 39 1.154 -13.033 -8.256 1.00 0.00 C ATOM 1452 OE1 GLN B 39 0.722 -13.569 -9.269 1.00 0.00 O ATOM 1453 NE2 GLN B 39 1.995 -12.007 -8.322 1.00 0.00 N ATOM 0 H GLN B 39 0.675 -11.014 -5.812 1.00 0.00 H new ATOM 0 HA GLN B 39 -1.214 -11.696 -7.811 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -0.666 -13.238 -5.292 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -1.357 -13.824 -6.792 1.00 0.00 H new ATOM 0 HG2 GLN B 39 1.503 -13.167 -6.144 1.00 0.00 H new ATOM 0 HG3 GLN B 39 0.833 -14.623 -6.853 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.342 -11.576 -7.465 1.00 0.00 H new ATOM 0 HE22 GLN B 39 2.294 -11.650 -9.230 1.00 0.00 H new ATOM 1462 N LEU B 40 -2.337 -10.743 -4.837 1.00 0.00 N ATOM 1463 CA LEU B 40 -3.525 -10.180 -4.192 1.00 0.00 C ATOM 1464 C LEU B 40 -4.137 -9.070 -5.057 1.00 0.00 C ATOM 1465 O LEU B 40 -5.358 -9.017 -5.188 1.00 0.00 O ATOM 1466 CB LEU B 40 -3.230 -9.658 -2.774 1.00 0.00 C ATOM 1467 CG LEU B 40 -2.517 -10.640 -1.824 1.00 0.00 C ATOM 1468 CD1 LEU B 40 -2.388 -10.006 -0.436 1.00 0.00 C ATOM 1469 CD2 LEU B 40 -3.181 -12.018 -1.713 1.00 0.00 C ATOM 0 H LEU B 40 -1.479 -10.631 -4.297 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.247 -10.990 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -2.619 -8.759 -2.860 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.173 -9.360 -2.315 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.536 -10.825 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.884 -10.701 0.236 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -1.808 -9.086 -0.509 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.380 -9.780 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.612 -12.642 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.199 -11.902 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.205 -12.491 -2.695 1.00 0.00 H new ATOM 1481 N PHE B 41 -3.313 -8.223 -5.693 1.00 0.00 N ATOM 1482 CA PHE B 41 -3.772 -7.224 -6.665 1.00 0.00 C ATOM 1483 C PHE B 41 -4.447 -7.914 -7.850 1.00 0.00 C ATOM 1484 O PHE B 41 -5.563 -7.563 -8.220 1.00 0.00 O ATOM 1485 CB PHE B 41 -2.609 -6.344 -7.161 1.00 0.00 C ATOM 1486 CG PHE B 41 -2.476 -4.995 -6.491 1.00 0.00 C ATOM 1487 CD1 PHE B 41 -3.166 -3.887 -7.019 1.00 0.00 C ATOM 1488 CD2 PHE B 41 -1.619 -4.825 -5.388 1.00 0.00 C ATOM 1489 CE1 PHE B 41 -3.004 -2.616 -6.443 1.00 0.00 C ATOM 1490 CE2 PHE B 41 -1.474 -3.553 -4.804 1.00 0.00 C ATOM 1491 CZ PHE B 41 -2.179 -2.456 -5.321 1.00 0.00 C ATOM 0 H PHE B 41 -2.304 -8.214 -5.545 1.00 0.00 H new ATOM 0 HA PHE B 41 -4.493 -6.578 -6.164 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -1.677 -6.892 -7.021 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -2.728 -6.187 -8.233 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -3.821 -4.014 -7.868 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -1.074 -5.669 -4.991 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -3.515 -1.763 -6.864 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -0.818 -3.421 -3.956 1.00 0.00 H new ATOM 0 HZ PHE B 41 -2.086 -1.487 -4.854 1.00 0.00 H new ATOM 1501 N LEU B 42 -3.761 -8.893 -8.446 1.00 0.00 N ATOM 1502 CA LEU B 42 -4.246 -9.641 -9.601 1.00 0.00 C ATOM 1503 C LEU B 42 -5.531 -10.420 -9.283 1.00 0.00 C ATOM 1504 O LEU B 42 -6.356 -10.609 -10.174 1.00 0.00 O ATOM 1505 CB LEU B 42 -3.132 -10.585 -10.078 1.00 0.00 C ATOM 1506 CG LEU B 42 -2.001 -9.868 -10.846 1.00 0.00 C ATOM 1507 CD1 LEU B 42 -0.754 -10.760 -10.908 1.00 0.00 C ATOM 1508 CD2 LEU B 42 -2.426 -9.501 -12.275 1.00 0.00 C ATOM 0 H LEU B 42 -2.837 -9.190 -8.131 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.501 -8.939 -10.395 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.706 -11.096 -9.215 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -3.567 -11.351 -10.720 1.00 0.00 H new ATOM 0 HG LEU B 42 -1.777 -8.948 -10.306 1.00 0.00 H new ATOM 0 HD11 LEU B 42 0.036 -10.243 -11.452 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -0.414 -10.980 -9.896 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -0.998 -11.691 -11.420 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -1.602 -8.998 -12.782 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.689 -10.407 -12.821 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -3.289 -8.836 -12.239 1.00 0.00 H new ATOM 1520 N SER B 43 -5.704 -10.854 -8.031 1.00 0.00 N ATOM 1521 CA SER B 43 -6.928 -11.427 -7.498 1.00 0.00 C ATOM 1522 C SER B 43 -8.031 -10.373 -7.438 1.00 0.00 C ATOM 1523 O SER B 43 -9.054 -10.493 -8.112 1.00 0.00 O ATOM 1524 CB SER B 43 -6.633 -12.011 -6.101 1.00 0.00 C ATOM 1525 OG SER B 43 -7.796 -12.345 -5.367 1.00 0.00 O ATOM 0 H SER B 43 -4.958 -10.810 -7.337 1.00 0.00 H new ATOM 0 HA SER B 43 -7.280 -12.225 -8.151 1.00 0.00 H new ATOM 0 HB2 SER B 43 -6.016 -12.903 -6.213 1.00 0.00 H new ATOM 0 HB3 SER B 43 -6.049 -11.288 -5.531 1.00 0.00 H new ATOM 0 HG SER B 43 -7.966 -11.656 -4.692 1.00 0.00 H new ATOM 1531 N THR B 44 -7.833 -9.380 -6.570 1.00 0.00 N ATOM 1532 CA THR B 44 -8.891 -8.557 -6.032 1.00 0.00 C ATOM 1533 C THR B 44 -8.462 -7.146 -5.631 1.00 0.00 C ATOM 1534 O THR B 44 -9.240 -6.206 -5.795 1.00 0.00 O ATOM 1535 CB THR B 44 -9.498 -9.285 -4.806 1.00 0.00 C ATOM 1536 OG1 THR B 44 -8.556 -10.133 -4.149 1.00 0.00 O ATOM 1537 CG2 THR B 44 -10.678 -10.169 -5.206 1.00 0.00 C ATOM 0 H THR B 44 -6.908 -9.129 -6.220 1.00 0.00 H new ATOM 0 HA THR B 44 -9.620 -8.421 -6.831 1.00 0.00 H new ATOM 0 HB THR B 44 -9.815 -8.488 -4.134 1.00 0.00 H new ATOM 0 HG1 THR B 44 -7.948 -9.588 -3.607 1.00 0.00 H new ATOM 0 HG21 THR B 44 -11.078 -10.664 -4.321 1.00 0.00 H new ATOM 0 HG22 THR B 44 -11.455 -9.555 -5.661 1.00 0.00 H new ATOM 0 HG23 THR B 44 -10.344 -10.920 -5.922 1.00 0.00 H new ATOM 1545 N LEU B 45 -7.269 -7.004 -5.051 1.00 0.00 N ATOM 1546 CA LEU B 45 -6.880 -5.806 -4.322 1.00 0.00 C ATOM 1547 C LEU B 45 -6.627 -4.615 -5.246 1.00 0.00 C ATOM 1548 O LEU B 45 -6.237 -4.749 -6.407 1.00 0.00 O ATOM 1549 CB LEU B 45 -5.677 -6.143 -3.413 1.00 0.00 C ATOM 1550 CG LEU B 45 -5.328 -5.058 -2.369 1.00 0.00 C ATOM 1551 CD1 LEU B 45 -5.058 -5.677 -0.991 1.00 0.00 C ATOM 1552 CD2 LEU B 45 -4.091 -4.254 -2.788 1.00 0.00 C ATOM 0 H LEU B 45 -6.546 -7.723 -5.077 1.00 0.00 H new ATOM 0 HA LEU B 45 -7.708 -5.485 -3.690 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -5.885 -7.076 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -4.803 -6.317 -4.041 1.00 0.00 H new ATOM 0 HG LEU B 45 -6.191 -4.395 -2.311 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -4.815 -4.888 -0.279 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -5.945 -6.211 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -4.221 -6.372 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -3.874 -3.500 -2.032 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -3.238 -4.925 -2.887 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -4.281 -3.765 -3.743 1.00 0.00 H new ATOM 1564 N SER B 46 -6.819 -3.407 -4.722 1.00 0.00 N ATOM 1565 CA SER B 46 -6.326 -2.174 -5.310 1.00 0.00 C ATOM 1566 C SER B 46 -5.934 -1.199 -4.193 1.00 0.00 C ATOM 1567 O SER B 46 -6.008 -1.542 -3.010 1.00 0.00 O ATOM 1568 CB SER B 46 -7.364 -1.648 -6.304 1.00 0.00 C ATOM 1569 OG SER B 46 -7.405 -2.535 -7.406 1.00 0.00 O ATOM 0 H SER B 46 -7.335 -3.260 -3.855 1.00 0.00 H new ATOM 0 HA SER B 46 -5.415 -2.330 -5.888 1.00 0.00 H new ATOM 0 HB2 SER B 46 -8.344 -1.582 -5.832 1.00 0.00 H new ATOM 0 HB3 SER B 46 -7.101 -0.643 -6.634 1.00 0.00 H new ATOM 0 HG SER B 46 -6.730 -3.235 -7.287 1.00 0.00 H new ATOM 1575 N PHE B 47 -5.472 0.001 -4.554 1.00 0.00 N ATOM 1576 CA PHE B 47 -5.052 1.034 -3.621 1.00 0.00 C ATOM 1577 C PHE B 47 -5.792 2.313 -3.964 1.00 0.00 C ATOM 1578 O PHE B 47 -6.206 2.509 -5.113 1.00 0.00 O ATOM 1579 CB PHE B 47 -3.538 1.267 -3.708 1.00 0.00 C ATOM 1580 CG PHE B 47 -2.954 1.914 -2.462 1.00 0.00 C ATOM 1581 CD1 PHE B 47 -2.529 1.114 -1.384 1.00 0.00 C ATOM 1582 CD2 PHE B 47 -2.855 3.316 -2.364 1.00 0.00 C ATOM 1583 CE1 PHE B 47 -2.020 1.714 -0.217 1.00 0.00 C ATOM 1584 CE2 PHE B 47 -2.360 3.914 -1.192 1.00 0.00 C ATOM 1585 CZ PHE B 47 -1.945 3.113 -0.116 1.00 0.00 C ATOM 0 H PHE B 47 -5.380 0.282 -5.530 1.00 0.00 H new ATOM 0 HA PHE B 47 -5.283 0.721 -2.603 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -3.040 0.313 -3.880 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -3.324 1.898 -4.570 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -2.594 0.038 -1.453 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -3.161 3.935 -3.194 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -1.686 1.097 0.604 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -2.299 4.990 -1.119 1.00 0.00 H new ATOM 0 HZ PHE B 47 -1.569 3.571 0.787 1.00 0.00 H new ATOM 1595 N VAL B 48 -5.912 3.195 -2.973 1.00 0.00 N ATOM 1596 CA VAL B 48 -6.593 4.457 -3.131 1.00 0.00 C ATOM 1597 C VAL B 48 -5.824 5.542 -2.360 1.00 0.00 C ATOM 1598 O VAL B 48 -5.696 5.492 -1.139 1.00 0.00 O ATOM 1599 CB VAL B 48 -8.107 4.212 -2.890 1.00 0.00 C ATOM 1600 CG1 VAL B 48 -8.800 4.918 -1.740 1.00 0.00 C ATOM 1601 CG2 VAL B 48 -8.897 4.488 -4.165 1.00 0.00 C ATOM 0 H VAL B 48 -5.534 3.044 -2.038 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.589 4.885 -4.134 1.00 0.00 H new ATOM 0 HB VAL B 48 -8.107 3.165 -2.586 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -9.852 4.633 -1.719 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -8.328 4.633 -0.800 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -8.719 5.997 -1.874 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -9.957 4.312 -3.982 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -8.748 5.524 -4.468 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -8.551 3.825 -4.958 1.00 0.00 H new ATOM 1611 N CYS B 49 -5.176 6.448 -3.111 1.00 0.00 N ATOM 1612 CA CYS B 49 -4.212 7.432 -2.617 1.00 0.00 C ATOM 1613 C CYS B 49 -4.870 8.360 -1.587 1.00 0.00 C ATOM 1614 O CYS B 49 -6.028 8.738 -1.774 1.00 0.00 O ATOM 1615 CB CYS B 49 -3.653 8.234 -3.807 1.00 0.00 C ATOM 1616 SG CYS B 49 -4.850 8.800 -5.058 1.00 0.00 S ATOM 0 H CYS B 49 -5.319 6.513 -4.119 1.00 0.00 H new ATOM 0 HA CYS B 49 -3.390 6.918 -2.119 1.00 0.00 H new ATOM 0 HB2 CYS B 49 -3.136 9.109 -3.413 1.00 0.00 H new ATOM 0 HB3 CYS B 49 -2.905 7.620 -4.308 1.00 0.00 H new ATOM 1621 N PRO B 50 -4.152 8.799 -0.531 1.00 0.00 N ATOM 1622 CA PRO B 50 -4.787 9.460 0.608 1.00 0.00 C ATOM 1623 C PRO B 50 -5.530 10.752 0.243 1.00 0.00 C ATOM 1624 O PRO B 50 -6.532 11.070 0.886 1.00 0.00 O ATOM 1625 CB PRO B 50 -3.684 9.685 1.646 1.00 0.00 C ATOM 1626 CG PRO B 50 -2.386 9.571 0.847 1.00 0.00 C ATOM 1627 CD PRO B 50 -2.738 8.570 -0.251 1.00 0.00 C ATOM 0 HA PRO B 50 -5.578 8.826 1.008 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -3.776 10.663 2.119 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -3.728 8.941 2.441 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -2.082 10.533 0.433 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -1.562 9.216 1.466 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -2.129 8.729 -1.141 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -2.561 7.546 0.077 1.00 0.00 H new ATOM 1635 N TRP B 51 -5.101 11.463 -0.811 1.00 0.00 N ATOM 1636 CA TRP B 51 -5.825 12.610 -1.350 1.00 0.00 C ATOM 1637 C TRP B 51 -7.245 12.176 -1.734 1.00 0.00 C ATOM 1638 O TRP B 51 -8.226 12.642 -1.149 1.00 0.00 O ATOM 1639 CB TRP B 51 -5.065 13.236 -2.542 1.00 0.00 C ATOM 1640 CG TRP B 51 -5.952 13.812 -3.610 1.00 0.00 C ATOM 1641 CD1 TRP B 51 -6.893 14.761 -3.408 1.00 0.00 C ATOM 1642 CD2 TRP B 51 -6.156 13.337 -4.977 1.00 0.00 C ATOM 1643 NE1 TRP B 51 -7.701 14.859 -4.521 1.00 0.00 N ATOM 1644 CE2 TRP B 51 -7.296 13.999 -5.520 1.00 0.00 C ATOM 1645 CE3 TRP B 51 -5.536 12.360 -5.787 1.00 0.00 C ATOM 1646 CZ2 TRP B 51 -7.805 13.698 -6.793 1.00 0.00 C ATOM 1647 CZ3 TRP B 51 -6.027 12.061 -7.072 1.00 0.00 C ATOM 1648 CH2 TRP B 51 -7.161 12.723 -7.574 1.00 0.00 C ATOM 0 H TRP B 51 -4.237 11.252 -1.311 1.00 0.00 H new ATOM 0 HA TRP B 51 -5.897 13.386 -0.588 1.00 0.00 H new ATOM 0 HB2 TRP B 51 -4.410 14.023 -2.167 1.00 0.00 H new ATOM 0 HB3 TRP B 51 -4.425 12.475 -2.989 1.00 0.00 H new ATOM 0 HD1 TRP B 51 -6.996 15.353 -2.511 1.00 0.00 H new ATOM 0 HE1 TRP B 51 -8.499 15.489 -4.596 1.00 0.00 H new ATOM 0 HE3 TRP B 51 -4.670 11.833 -5.414 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 -8.680 14.209 -7.167 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 -5.529 11.318 -7.677 1.00 0.00 H new ATOM 0 HH2 TRP B 51 -7.537 12.483 -8.558 1.00 0.00 H new ATOM 1659 N CYS B 52 -7.353 11.275 -2.715 1.00 0.00 N ATOM 1660 CA CYS B 52 -8.631 10.844 -3.254 1.00 0.00 C ATOM 1661 C CYS B 52 -9.435 10.083 -2.208 1.00 0.00 C ATOM 1662 O CYS B 52 -10.668 10.081 -2.275 1.00 0.00 O ATOM 1663 CB CYS B 52 -8.392 9.971 -4.482 1.00 0.00 C ATOM 1664 SG CYS B 52 -8.158 8.211 -4.165 1.00 0.00 S ATOM 0 H CYS B 52 -6.549 10.827 -3.154 1.00 0.00 H new ATOM 0 HA CYS B 52 -9.208 11.723 -3.541 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -9.239 10.089 -5.158 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.512 10.346 -5.005 1.00 0.00 H new ATOM 1669 N ALA B 53 -8.727 9.446 -1.265 1.00 0.00 N ATOM 1670 CA ALA B 53 -9.312 8.680 -0.192 1.00 0.00 C ATOM 1671 C ALA B 53 -9.837 9.583 0.934 1.00 0.00 C ATOM 1672 O ALA B 53 -10.644 9.123 1.744 1.00 0.00 O ATOM 1673 CB ALA B 53 -8.279 7.697 0.368 1.00 0.00 C ATOM 0 H ALA B 53 -7.707 9.459 -1.240 1.00 0.00 H new ATOM 0 HA ALA B 53 -10.161 8.131 -0.600 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -8.726 7.121 1.178 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -7.955 7.020 -0.422 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -7.419 8.249 0.747 1.00 0.00 H new ATOM 1679 N THR B 54 -9.383 10.844 0.990 1.00 0.00 N ATOM 1680 CA THR B 54 -9.926 11.895 1.850 1.00 0.00 C ATOM 1681 C THR B 54 -11.039 12.672 1.126 1.00 0.00 C ATOM 1682 O THR B 54 -12.041 13.005 1.751 1.00 0.00 O ATOM 1683 CB THR B 54 -8.791 12.835 2.306 1.00 0.00 C ATOM 1684 OG1 THR B 54 -7.732 12.088 2.868 1.00 0.00 O ATOM 1685 CG2 THR B 54 -9.249 13.843 3.365 1.00 0.00 C ATOM 0 H THR B 54 -8.603 11.166 0.418 1.00 0.00 H new ATOM 0 HA THR B 54 -10.370 11.437 2.734 1.00 0.00 H new ATOM 0 HB THR B 54 -8.471 13.374 1.415 1.00 0.00 H new ATOM 0 HG1 THR B 54 -7.370 11.476 2.194 1.00 0.00 H new ATOM 0 HG21 THR B 54 -8.410 14.479 3.649 1.00 0.00 H new ATOM 0 HG22 THR B 54 -10.050 14.460 2.958 1.00 0.00 H new ATOM 0 HG23 THR B 54 -9.613 13.309 4.243 1.00 0.00 H new ATOM 1693 N ASN B 55 -10.900 12.942 -0.185 1.00 0.00 N ATOM 1694 CA ASN B 55 -11.977 13.530 -1.009 1.00 0.00 C ATOM 1695 C ASN B 55 -13.186 12.587 -1.065 1.00 0.00 C ATOM 1696 O ASN B 55 -14.329 13.029 -1.028 1.00 0.00 O ATOM 1697 CB ASN B 55 -11.480 13.825 -2.439 1.00 0.00 C ATOM 1698 CG ASN B 55 -10.522 15.009 -2.568 1.00 0.00 C ATOM 1699 OD1 ASN B 55 -10.271 15.493 -3.666 1.00 0.00 O ATOM 1700 ND2 ASN B 55 -9.948 15.489 -1.475 1.00 0.00 N ATOM 0 H ASN B 55 -10.041 12.760 -0.704 1.00 0.00 H new ATOM 0 HA ASN B 55 -12.278 14.469 -0.545 1.00 0.00 H new ATOM 0 HB2 ASN B 55 -10.984 12.934 -2.824 1.00 0.00 H new ATOM 0 HB3 ASN B 55 -12.345 14.008 -3.076 1.00 0.00 H new ATOM 0 HD21 ASN B 55 -9.292 16.267 -1.543 1.00 0.00 H new ATOM 0 HD22 ASN B 55 -10.162 15.081 -0.565 1.00 0.00 H new ATOM 1707 N GLN B 56 -12.876 11.292 -1.113 1.00 0.00 N ATOM 1708 CA GLN B 56 -13.699 10.146 -0.764 1.00 0.00 C ATOM 1709 C GLN B 56 -15.121 10.142 -1.336 1.00 0.00 C ATOM 1710 O GLN B 56 -16.105 10.062 -0.560 1.00 0.00 O ATOM 1711 CB GLN B 56 -13.677 10.020 0.762 1.00 0.00 C ATOM 1712 CG GLN B 56 -14.009 8.582 1.168 1.00 0.00 C ATOM 1713 CD GLN B 56 -15.056 8.536 2.269 1.00 0.00 C ATOM 1714 OE1 GLN B 56 -14.787 8.023 3.353 1.00 0.00 O ATOM 1715 NE2 GLN B 56 -16.246 9.046 1.978 1.00 0.00 N ATOM 0 H GLN B 56 -11.952 10.996 -1.428 1.00 0.00 H new ATOM 0 HA GLN B 56 -13.266 9.268 -1.242 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -12.695 10.298 1.145 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -14.398 10.708 1.203 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -14.371 8.033 0.299 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -13.102 8.081 1.507 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -16.413 9.460 1.061 1.00 0.00 H new ATOM 0 HE22 GLN B 56 -16.994 9.024 2.672 1.00 0.00 H new TER 1724 GLN B 56 HETATM 1725 ZN ZN A 57 7.159 7.636 5.199 1.00 0.00 ZN HETATM 1726 ZN ZN B 57 -6.713 7.508 -6.053 1.00 0.00 ZN