USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 661 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 ASN : amide:sc= 1.22 K(o=1.7,f=-0.15) USER MOD Set 1.2: A 31 GLN : amide:sc= 0.496 K(o=1.7,f=0.28) USER MOD Set 1.3: B 199 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -1.32 X(o=-1.3,f=-1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 1.05 K(o=1,f=-0.73) USER MOD Single : A 28 SER OG : rot -87:sc= 1.15 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc=-0.00401 X(o=-0.004,f=-0.19) USER MOD Single : A 38 THR OG1 : rot -170:sc= -1.41 USER MOD Single : A 41 SER OG : rot 180:sc= -0.128 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -168:sc=-0.000259 (180deg=-0.25) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -83:sc= -1.45 USER MOD Single : A 51 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.32) USER MOD Single : A 54 SER OG : rot 180:sc= 0.078 USER MOD Single : A 55 MET CE :methyl -121:sc= -0.751 (180deg=-2.46) USER MOD Single : A 57 GLN : amide:sc= -0.0975 K(o=-0.098,f=-2) USER MOD Single : A 65 GLN : amide:sc= -0.0359 K(o=-0.036,f=-1.1) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.61! USER MOD Single : A 75 GLN : amide:sc= -0.588 K(o=-0.59,f=-1.5) USER MOD Single : A 78 MET CE :methyl 177:sc= -0.886 (180deg=-0.91) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0214 K(o=-0.021,f=-1.1!) USER MOD Single : A 89 GLN : amide:sc= -0.361 K(o=-0.36,f=-1.4) USER MOD Single : A 90 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.7!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0318 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N HIS A 17 7.869 13.104 1.154 1.00 10.00 N ATOM 14 CA HIS A 17 6.807 12.118 1.260 1.00 10.00 C ATOM 15 C HIS A 17 5.469 12.747 0.896 1.00 10.00 C ATOM 16 O HIS A 17 5.174 13.885 1.279 1.00 10.00 O ATOM 17 CB HIS A 17 6.733 11.544 2.677 1.00 10.00 C ATOM 18 CG HIS A 17 7.730 10.458 2.964 1.00 10.00 C ATOM 19 ND1 HIS A 17 8.633 10.574 3.996 1.00 10.00 N ATOM 20 CD2 HIS A 17 7.915 9.261 2.349 1.00 10.00 C ATOM 21 CE1 HIS A 17 9.340 9.454 3.989 1.00 10.00 C ATOM 22 NE2 HIS A 17 8.940 8.633 3.013 1.00 10.00 N ATOM 0 HA HIS A 17 7.029 11.307 0.566 1.00 10.00 H new ATOM 0 HB2 HIS A 17 6.882 12.354 3.391 1.00 10.00 H new ATOM 0 HB3 HIS A 17 5.730 11.152 2.844 1.00 10.00 H new ATOM 0 HD2 HIS A 17 7.364 8.878 1.503 1.00 10.00 H new ATOM 0 HE1 HIS A 17 10.137 9.233 4.683 1.00 10.00 H new ATOM 0 HE2 HIS A 17 9.324 7.712 2.801 1.00 10.00 H new ATOM 30 N ILE A 18 4.673 12.011 0.150 1.00 10.00 N ATOM 31 CA ILE A 18 3.365 12.473 -0.263 1.00 10.00 C ATOM 32 C ILE A 18 2.290 11.693 0.496 1.00 10.00 C ATOM 33 O ILE A 18 2.328 10.463 0.560 1.00 10.00 O ATOM 34 CB ILE A 18 3.183 12.341 -1.798 1.00 10.00 C ATOM 35 CG1 ILE A 18 1.873 12.981 -2.247 1.00 10.00 C ATOM 36 CG2 ILE A 18 3.245 10.886 -2.246 1.00 10.00 C ATOM 37 CD1 ILE A 18 1.740 13.071 -3.753 1.00 10.00 C ATOM 0 H ILE A 18 4.913 11.079 -0.186 1.00 10.00 H new ATOM 0 HA ILE A 18 3.268 13.532 -0.022 1.00 10.00 H new ATOM 0 HB ILE A 18 4.009 12.872 -2.271 1.00 10.00 H new ATOM 0 HG12 ILE A 18 1.039 12.404 -1.849 1.00 10.00 H new ATOM 0 HG13 ILE A 18 1.800 13.982 -1.822 1.00 10.00 H new ATOM 0 HG21 ILE A 18 3.114 10.832 -3.327 1.00 10.00 H new ATOM 0 HG22 ILE A 18 4.213 10.463 -1.977 1.00 10.00 H new ATOM 0 HG23 ILE A 18 2.453 10.320 -1.756 1.00 10.00 H new ATOM 0 HD11 ILE A 18 0.787 13.535 -4.007 1.00 10.00 H new ATOM 0 HD12 ILE A 18 2.555 13.673 -4.155 1.00 10.00 H new ATOM 0 HD13 ILE A 18 1.782 12.070 -4.182 1.00 10.00 H new ATOM 49 N ASN A 19 1.360 12.412 1.110 1.00 10.00 N ATOM 50 CA ASN A 19 0.299 11.782 1.885 1.00 10.00 C ATOM 51 C ASN A 19 -0.925 11.539 1.021 1.00 10.00 C ATOM 52 O ASN A 19 -1.693 12.457 0.739 1.00 10.00 O ATOM 53 CB ASN A 19 -0.078 12.648 3.092 1.00 10.00 C ATOM 54 CG ASN A 19 1.103 12.940 4.000 1.00 10.00 C ATOM 55 OD1 ASN A 19 1.422 12.155 4.897 1.00 10.00 O ATOM 56 ND2 ASN A 19 1.752 14.073 3.780 1.00 10.00 N ATOM 0 H ASN A 19 1.318 13.431 1.087 1.00 10.00 H new ATOM 0 HA ASN A 19 0.671 10.822 2.244 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -0.501 13.589 2.740 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -0.856 12.144 3.666 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.550 14.325 4.364 1.00 10.00 H new ATOM 0 HD22 ASN A 19 1.454 14.693 3.027 1.00 10.00 H new ATOM 63 N LEU A 20 -1.097 10.301 0.597 1.00 10.00 N ATOM 64 CA LEU A 20 -2.228 9.926 -0.235 1.00 10.00 C ATOM 65 C LEU A 20 -3.367 9.386 0.625 1.00 10.00 C ATOM 66 O LEU A 20 -3.138 8.897 1.733 1.00 10.00 O ATOM 67 CB LEU A 20 -1.795 8.887 -1.269 1.00 10.00 C ATOM 68 CG LEU A 20 -0.609 9.302 -2.143 1.00 10.00 C ATOM 69 CD1 LEU A 20 -0.128 8.126 -2.975 1.00 10.00 C ATOM 70 CD2 LEU A 20 -0.994 10.471 -3.038 1.00 10.00 C ATOM 0 H LEU A 20 -0.464 9.532 0.816 1.00 10.00 H new ATOM 0 HA LEU A 20 -2.588 10.811 -0.760 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -1.539 7.964 -0.749 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -2.644 8.664 -1.916 1.00 10.00 H new ATOM 0 HG LEU A 20 0.207 9.620 -1.495 1.00 10.00 H new ATOM 0 HD11 LEU A 20 0.716 8.437 -3.591 1.00 10.00 H new ATOM 0 HD12 LEU A 20 0.184 7.317 -2.315 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -0.938 7.779 -3.617 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -0.140 10.755 -3.653 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -1.824 10.179 -3.681 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -1.294 11.318 -2.421 1.00 10.00 H new ATOM 82 N LYS A 21 -4.590 9.473 0.120 1.00 10.00 N ATOM 83 CA LYS A 21 -5.750 9.006 0.858 1.00 10.00 C ATOM 84 C LYS A 21 -6.466 7.871 0.126 1.00 10.00 C ATOM 85 O LYS A 21 -6.809 7.989 -1.053 1.00 10.00 O ATOM 86 CB LYS A 21 -6.723 10.166 1.097 1.00 10.00 C ATOM 87 CG LYS A 21 -7.983 9.755 1.839 1.00 10.00 C ATOM 88 CD LYS A 21 -8.982 10.898 1.922 1.00 10.00 C ATOM 89 CE LYS A 21 -10.285 10.444 2.555 1.00 10.00 C ATOM 90 NZ LYS A 21 -11.275 11.549 2.656 1.00 10.00 N ATOM 0 H LYS A 21 -4.802 9.863 -0.798 1.00 10.00 H new ATOM 0 HA LYS A 21 -5.400 8.619 1.815 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -6.215 10.946 1.664 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -7.001 10.600 0.137 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -8.443 8.905 1.334 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -7.722 9.425 2.845 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -8.557 11.715 2.505 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -9.177 11.288 0.923 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -10.709 9.631 1.966 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -10.084 10.046 3.550 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -12.149 11.193 3.094 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -10.882 12.315 3.240 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -11.488 11.913 1.705 1.00 10.00 H new ATOM 104 N VAL A 22 -6.670 6.767 0.827 1.00 10.00 N ATOM 105 CA VAL A 22 -7.369 5.619 0.267 1.00 10.00 C ATOM 106 C VAL A 22 -8.855 5.723 0.575 1.00 10.00 C ATOM 107 O VAL A 22 -9.238 5.991 1.716 1.00 10.00 O ATOM 108 CB VAL A 22 -6.839 4.289 0.841 1.00 10.00 C ATOM 109 CG1 VAL A 22 -7.601 3.101 0.270 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.352 4.144 0.575 1.00 10.00 C ATOM 0 H VAL A 22 -6.360 6.641 1.790 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.197 5.625 -0.809 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.998 4.305 1.919 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -7.205 2.178 0.693 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -8.658 3.192 0.521 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -7.486 3.082 -0.814 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.999 3.199 0.988 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.171 4.160 -0.500 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -4.816 4.968 1.045 1.00 10.00 H new ATOM 120 N ALA A 23 -9.684 5.532 -0.436 1.00 10.00 N ATOM 121 CA ALA A 23 -11.121 5.601 -0.259 1.00 10.00 C ATOM 122 C ALA A 23 -11.734 4.207 -0.278 1.00 10.00 C ATOM 123 O ALA A 23 -11.869 3.589 -1.337 1.00 10.00 O ATOM 124 CB ALA A 23 -11.743 6.473 -1.338 1.00 10.00 C ATOM 0 H ALA A 23 -9.385 5.328 -1.389 1.00 10.00 H new ATOM 0 HA ALA A 23 -11.328 6.049 0.713 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -12.822 6.516 -1.193 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.328 7.479 -1.277 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.525 6.050 -2.318 1.00 10.00 H new ATOM 130 N GLY A 24 -12.079 3.708 0.900 1.00 10.00 N ATOM 131 CA GLY A 24 -12.685 2.399 0.997 1.00 10.00 C ATOM 132 C GLY A 24 -14.183 2.467 0.797 1.00 10.00 C ATOM 133 O GLY A 24 -14.827 3.417 1.240 1.00 10.00 O ATOM 0 H GLY A 24 -11.949 4.188 1.791 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -12.247 1.737 0.250 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -12.466 1.967 1.973 1.00 10.00 H new ATOM 137 N GLN A 25 -14.745 1.456 0.147 1.00 10.00 N ATOM 138 CA GLN A 25 -16.182 1.421 -0.123 1.00 10.00 C ATOM 139 C GLN A 25 -16.980 1.189 1.156 1.00 10.00 C ATOM 140 O GLN A 25 -18.181 1.444 1.205 1.00 10.00 O ATOM 141 CB GLN A 25 -16.512 0.329 -1.146 1.00 10.00 C ATOM 142 CG GLN A 25 -15.811 0.508 -2.485 1.00 10.00 C ATOM 143 CD GLN A 25 -16.038 1.881 -3.093 1.00 10.00 C ATOM 144 OE1 GLN A 25 -17.103 2.478 -2.937 1.00 10.00 O ATOM 145 NE2 GLN A 25 -15.039 2.389 -3.793 1.00 10.00 N ATOM 0 H GLN A 25 -14.230 0.648 -0.204 1.00 10.00 H new ATOM 0 HA GLN A 25 -16.463 2.391 -0.533 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -16.238 -0.640 -0.730 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -17.589 0.312 -1.310 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -14.741 0.347 -2.353 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -16.165 -0.254 -3.179 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -14.172 1.863 -3.899 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -15.135 3.307 -4.227 1.00 10.00 H new ATOM 154 N ASP A 26 -16.305 0.715 2.193 1.00 10.00 N ATOM 155 CA ASP A 26 -16.956 0.452 3.472 1.00 10.00 C ATOM 156 C ASP A 26 -16.846 1.663 4.394 1.00 10.00 C ATOM 157 O ASP A 26 -17.335 1.643 5.525 1.00 10.00 O ATOM 158 CB ASP A 26 -16.347 -0.780 4.149 1.00 10.00 C ATOM 159 CG ASP A 26 -14.966 -0.512 4.708 1.00 10.00 C ATOM 160 OD1 ASP A 26 -14.064 -0.165 3.918 1.00 10.00 O ATOM 161 OD2 ASP A 26 -14.776 -0.660 5.934 1.00 10.00 O ATOM 0 H ASP A 26 -15.307 0.504 2.176 1.00 10.00 H new ATOM 0 HA ASP A 26 -18.010 0.257 3.277 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -17.004 -1.110 4.954 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -16.292 -1.596 3.429 1.00 10.00 H new ATOM 166 N GLY A 27 -16.201 2.717 3.909 1.00 10.00 N ATOM 167 CA GLY A 27 -16.051 3.924 4.700 1.00 10.00 C ATOM 168 C GLY A 27 -14.774 3.937 5.518 1.00 10.00 C ATOM 169 O GLY A 27 -14.753 4.440 6.640 1.00 10.00 O ATOM 0 H GLY A 27 -15.779 2.758 2.981 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -16.062 4.790 4.038 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -16.906 4.023 5.369 1.00 10.00 H new ATOM 173 N SER A 28 -13.713 3.373 4.967 1.00 10.00 N ATOM 174 CA SER A 28 -12.428 3.336 5.646 1.00 10.00 C ATOM 175 C SER A 28 -11.461 4.314 4.984 1.00 10.00 C ATOM 176 O SER A 28 -11.449 4.453 3.759 1.00 10.00 O ATOM 177 CB SER A 28 -11.861 1.914 5.610 1.00 10.00 C ATOM 178 OG SER A 28 -12.020 1.331 4.323 1.00 10.00 O ATOM 0 H SER A 28 -13.716 2.932 4.047 1.00 10.00 H new ATOM 0 HA SER A 28 -12.563 3.631 6.686 1.00 10.00 H new ATOM 0 HB2 SER A 28 -10.804 1.934 5.875 1.00 10.00 H new ATOM 0 HB3 SER A 28 -12.365 1.299 6.356 1.00 10.00 H new ATOM 0 HG SER A 28 -12.902 0.908 4.262 1.00 10.00 H new ATOM 184 N VAL A 29 -10.674 5.009 5.792 1.00 10.00 N ATOM 185 CA VAL A 29 -9.710 5.963 5.270 1.00 10.00 C ATOM 186 C VAL A 29 -8.295 5.547 5.651 1.00 10.00 C ATOM 187 O VAL A 29 -7.992 5.310 6.824 1.00 10.00 O ATOM 188 CB VAL A 29 -10.001 7.400 5.768 1.00 10.00 C ATOM 189 CG1 VAL A 29 -10.157 7.442 7.280 1.00 10.00 C ATOM 190 CG2 VAL A 29 -8.913 8.360 5.316 1.00 10.00 C ATOM 0 H VAL A 29 -10.685 4.930 6.809 1.00 10.00 H new ATOM 0 HA VAL A 29 -9.801 5.965 4.184 1.00 10.00 H new ATOM 0 HB VAL A 29 -10.945 7.717 5.326 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -10.360 8.465 7.597 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -10.985 6.798 7.578 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -9.238 7.093 7.750 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -9.139 9.363 5.678 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -7.953 8.037 5.718 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -8.865 8.369 4.227 1.00 10.00 H new ATOM 200 N VAL A 30 -7.434 5.422 4.653 1.00 10.00 N ATOM 201 CA VAL A 30 -6.057 5.029 4.895 1.00 10.00 C ATOM 202 C VAL A 30 -5.085 6.079 4.368 1.00 10.00 C ATOM 203 O VAL A 30 -5.124 6.444 3.193 1.00 10.00 O ATOM 204 CB VAL A 30 -5.725 3.659 4.257 1.00 10.00 C ATOM 205 CG1 VAL A 30 -4.322 3.209 4.634 1.00 10.00 C ATOM 206 CG2 VAL A 30 -6.749 2.609 4.664 1.00 10.00 C ATOM 0 H VAL A 30 -7.664 5.586 3.673 1.00 10.00 H new ATOM 0 HA VAL A 30 -5.945 4.943 5.976 1.00 10.00 H new ATOM 0 HB VAL A 30 -5.766 3.776 3.174 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -4.113 2.244 4.173 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -3.597 3.943 4.282 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -4.248 3.117 5.718 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.494 1.655 4.203 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -6.747 2.500 5.749 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.740 2.919 4.332 1.00 10.00 H new ATOM 216 N GLN A 31 -4.225 6.555 5.255 1.00 10.00 N ATOM 217 CA GLN A 31 -3.219 7.547 4.923 1.00 10.00 C ATOM 218 C GLN A 31 -1.972 6.843 4.408 1.00 10.00 C ATOM 219 O GLN A 31 -1.281 6.157 5.165 1.00 10.00 O ATOM 220 CB GLN A 31 -2.875 8.378 6.160 1.00 10.00 C ATOM 221 CG GLN A 31 -1.990 9.582 5.878 1.00 10.00 C ATOM 222 CD GLN A 31 -1.157 9.978 7.084 1.00 10.00 C ATOM 223 OE1 GLN A 31 -1.514 9.684 8.224 1.00 10.00 O ATOM 224 NE2 GLN A 31 -0.041 10.650 6.849 1.00 10.00 N ATOM 0 H GLN A 31 -4.207 6.261 6.231 1.00 10.00 H new ATOM 0 HA GLN A 31 -3.607 8.212 4.151 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -3.801 8.722 6.621 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -2.376 7.737 6.887 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -1.329 9.357 5.041 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -2.612 10.425 5.576 1.00 10.00 H new ATOM 0 HE21 GLN A 31 0.225 10.877 5.891 1.00 10.00 H new ATOM 0 HE22 GLN A 31 0.553 10.940 7.626 1.00 10.00 H new ATOM 233 N PHE A 32 -1.701 6.992 3.124 1.00 10.00 N ATOM 234 CA PHE A 32 -0.539 6.364 2.522 1.00 10.00 C ATOM 235 C PHE A 32 0.604 7.353 2.406 1.00 10.00 C ATOM 236 O PHE A 32 0.527 8.326 1.658 1.00 10.00 O ATOM 237 CB PHE A 32 -0.881 5.796 1.146 1.00 10.00 C ATOM 238 CG PHE A 32 -0.890 4.295 1.113 1.00 10.00 C ATOM 239 CD1 PHE A 32 -2.076 3.597 1.230 1.00 10.00 C ATOM 240 CD2 PHE A 32 0.291 3.587 0.971 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.090 2.217 1.206 1.00 10.00 C ATOM 242 CE2 PHE A 32 0.284 2.205 0.945 1.00 10.00 C ATOM 243 CZ PHE A 32 -0.908 1.520 1.063 1.00 10.00 C ATOM 0 H PHE A 32 -2.269 7.541 2.479 1.00 10.00 H new ATOM 0 HA PHE A 32 -0.228 5.544 3.169 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -1.860 6.166 0.840 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -0.159 6.165 0.418 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -3.004 4.138 1.342 1.00 10.00 H new ATOM 0 HD2 PHE A 32 1.226 4.119 0.880 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.025 1.684 1.299 1.00 10.00 H new ATOM 0 HE2 PHE A 32 1.211 1.662 0.832 1.00 10.00 H new ATOM 0 HZ PHE A 32 -0.916 0.440 1.043 1.00 10.00 H new ATOM 253 N LYS A 33 1.653 7.102 3.161 1.00 10.00 N ATOM 254 CA LYS A 33 2.822 7.956 3.148 1.00 10.00 C ATOM 255 C LYS A 33 3.915 7.304 2.316 1.00 10.00 C ATOM 256 O LYS A 33 4.566 6.358 2.756 1.00 10.00 O ATOM 257 CB LYS A 33 3.301 8.216 4.577 1.00 10.00 C ATOM 258 CG LYS A 33 4.439 9.213 4.667 1.00 10.00 C ATOM 259 CD LYS A 33 4.552 9.801 6.060 1.00 10.00 C ATOM 260 CE LYS A 33 5.754 10.716 6.177 1.00 10.00 C ATOM 261 NZ LYS A 33 5.685 11.579 7.383 1.00 10.00 N ATOM 0 H LYS A 33 1.720 6.307 3.796 1.00 10.00 H new ATOM 0 HA LYS A 33 2.568 8.916 2.700 1.00 10.00 H new ATOM 0 HB2 LYS A 33 2.463 8.580 5.171 1.00 10.00 H new ATOM 0 HB3 LYS A 33 3.620 7.273 5.021 1.00 10.00 H new ATOM 0 HG2 LYS A 33 5.376 8.723 4.400 1.00 10.00 H new ATOM 0 HG3 LYS A 33 4.281 10.014 3.944 1.00 10.00 H new ATOM 0 HD2 LYS A 33 3.645 10.357 6.297 1.00 10.00 H new ATOM 0 HD3 LYS A 33 4.633 8.996 6.791 1.00 10.00 H new ATOM 0 HE2 LYS A 33 6.663 10.116 6.213 1.00 10.00 H new ATOM 0 HE3 LYS A 33 5.820 11.342 5.287 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 6.527 12.188 7.423 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 4.831 12.171 7.338 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 5.648 10.983 8.235 1.00 10.00 H new ATOM 275 N ILE A 34 4.075 7.777 1.090 1.00 10.00 N ATOM 276 CA ILE A 34 5.078 7.231 0.186 1.00 10.00 C ATOM 277 C ILE A 34 5.801 8.370 -0.528 1.00 10.00 C ATOM 278 O ILE A 34 5.370 9.517 -0.448 1.00 10.00 O ATOM 279 CB ILE A 34 4.439 6.252 -0.849 1.00 10.00 C ATOM 280 CG1 ILE A 34 4.200 6.931 -2.204 1.00 10.00 C ATOM 281 CG2 ILE A 34 3.124 5.683 -0.318 1.00 10.00 C ATOM 282 CD1 ILE A 34 3.510 6.046 -3.221 1.00 10.00 C ATOM 0 H ILE A 34 3.523 8.539 0.697 1.00 10.00 H new ATOM 0 HA ILE A 34 5.798 6.661 0.774 1.00 10.00 H new ATOM 0 HB ILE A 34 5.148 5.438 -0.998 1.00 10.00 H new ATOM 0 HG12 ILE A 34 3.599 7.827 -2.049 1.00 10.00 H new ATOM 0 HG13 ILE A 34 5.158 7.256 -2.610 1.00 10.00 H new ATOM 0 HG21 ILE A 34 2.697 5.004 -1.056 1.00 10.00 H new ATOM 0 HG22 ILE A 34 3.310 5.141 0.609 1.00 10.00 H new ATOM 0 HG23 ILE A 34 2.425 6.498 -0.128 1.00 10.00 H new ATOM 0 HD11 ILE A 34 3.377 6.597 -4.152 1.00 10.00 H new ATOM 0 HD12 ILE A 34 4.120 5.162 -3.407 1.00 10.00 H new ATOM 0 HD13 ILE A 34 2.536 5.741 -2.837 1.00 10.00 H new ATOM 294 N LYS A 35 6.904 8.077 -1.195 1.00 10.00 N ATOM 295 CA LYS A 35 7.640 9.107 -1.915 1.00 10.00 C ATOM 296 C LYS A 35 7.115 9.238 -3.336 1.00 10.00 C ATOM 297 O LYS A 35 6.515 8.311 -3.874 1.00 10.00 O ATOM 298 CB LYS A 35 9.135 8.798 -1.922 1.00 10.00 C ATOM 299 CG LYS A 35 9.858 9.302 -0.686 1.00 10.00 C ATOM 300 CD LYS A 35 11.057 8.437 -0.355 1.00 10.00 C ATOM 301 CE LYS A 35 11.776 8.933 0.887 1.00 10.00 C ATOM 302 NZ LYS A 35 12.620 7.876 1.498 1.00 10.00 N ATOM 0 H LYS A 35 7.309 7.143 -1.254 1.00 10.00 H new ATOM 0 HA LYS A 35 7.492 10.057 -1.402 1.00 10.00 H new ATOM 0 HB2 LYS A 35 9.276 7.720 -2.003 1.00 10.00 H new ATOM 0 HB3 LYS A 35 9.587 9.246 -2.807 1.00 10.00 H new ATOM 0 HG2 LYS A 35 10.183 10.330 -0.846 1.00 10.00 H new ATOM 0 HG3 LYS A 35 9.171 9.313 0.160 1.00 10.00 H new ATOM 0 HD2 LYS A 35 10.733 7.408 -0.202 1.00 10.00 H new ATOM 0 HD3 LYS A 35 11.747 8.432 -1.199 1.00 10.00 H new ATOM 0 HE2 LYS A 35 12.398 9.790 0.628 1.00 10.00 H new ATOM 0 HE3 LYS A 35 11.044 9.279 1.616 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 13.093 8.255 2.343 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 12.023 7.068 1.768 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 13.336 7.563 0.811 1.00 10.00 H new ATOM 316 N ARG A 36 7.357 10.385 -3.952 1.00 10.00 N ATOM 317 CA ARG A 36 6.886 10.632 -5.311 1.00 10.00 C ATOM 318 C ARG A 36 7.630 9.766 -6.329 1.00 10.00 C ATOM 319 O ARG A 36 7.129 9.524 -7.427 1.00 10.00 O ATOM 320 CB ARG A 36 7.019 12.115 -5.660 1.00 10.00 C ATOM 321 CG ARG A 36 6.101 13.009 -4.838 1.00 10.00 C ATOM 322 CD ARG A 36 6.283 14.481 -5.185 1.00 10.00 C ATOM 323 NE ARG A 36 5.700 14.826 -6.484 1.00 10.00 N ATOM 324 CZ ARG A 36 4.500 15.387 -6.641 1.00 10.00 C ATOM 325 NH1 ARG A 36 3.743 15.674 -5.583 1.00 10.00 N ATOM 326 NH2 ARG A 36 4.052 15.667 -7.858 1.00 10.00 N ATOM 0 H ARG A 36 7.875 11.159 -3.536 1.00 10.00 H new ATOM 0 HA ARG A 36 5.832 10.356 -5.355 1.00 10.00 H new ATOM 0 HB2 ARG A 36 8.052 12.427 -5.506 1.00 10.00 H new ATOM 0 HB3 ARG A 36 6.798 12.254 -6.718 1.00 10.00 H new ATOM 0 HG2 ARG A 36 5.064 12.721 -5.010 1.00 10.00 H new ATOM 0 HG3 ARG A 36 6.302 12.858 -3.777 1.00 10.00 H new ATOM 0 HD2 ARG A 36 5.823 15.094 -4.409 1.00 10.00 H new ATOM 0 HD3 ARG A 36 7.346 14.721 -5.192 1.00 10.00 H new ATOM 0 HE ARG A 36 6.246 14.624 -7.321 1.00 10.00 H new ATOM 0 HH11 ARG A 36 4.080 15.465 -4.643 1.00 10.00 H new ATOM 0 HH12 ARG A 36 2.827 16.103 -5.713 1.00 10.00 H new ATOM 0 HH21 ARG A 36 4.625 15.453 -8.674 1.00 10.00 H new ATOM 0 HH22 ARG A 36 3.134 16.096 -7.977 1.00 10.00 H new ATOM 340 N HIS A 37 8.820 9.299 -5.959 1.00 10.00 N ATOM 341 CA HIS A 37 9.611 8.445 -6.843 1.00 10.00 C ATOM 342 C HIS A 37 9.273 6.975 -6.600 1.00 10.00 C ATOM 343 O HIS A 37 9.697 6.094 -7.348 1.00 10.00 O ATOM 344 CB HIS A 37 11.120 8.694 -6.643 1.00 10.00 C ATOM 345 CG HIS A 37 11.766 7.906 -5.527 1.00 10.00 C ATOM 346 ND1 HIS A 37 12.341 6.674 -5.756 1.00 10.00 N ATOM 347 CD2 HIS A 37 11.912 8.219 -4.214 1.00 10.00 C ATOM 348 CE1 HIS A 37 12.819 6.272 -4.591 1.00 10.00 C ATOM 349 NE2 HIS A 37 12.583 7.172 -3.632 1.00 10.00 N ATOM 0 H HIS A 37 9.256 9.496 -5.058 1.00 10.00 H new ATOM 0 HA HIS A 37 9.362 8.695 -7.874 1.00 10.00 H new ATOM 0 HB2 HIS A 37 11.636 8.461 -7.575 1.00 10.00 H new ATOM 0 HB3 HIS A 37 11.273 9.756 -6.451 1.00 10.00 H new ATOM 0 HD2 HIS A 37 11.567 9.117 -3.723 1.00 10.00 H new ATOM 0 HE1 HIS A 37 13.334 5.336 -4.434 1.00 10.00 H new ATOM 0 HE2 HIS A 37 12.851 7.096 -2.651 1.00 10.00 H new ATOM 357 N THR A 38 8.494 6.736 -5.555 1.00 10.00 N ATOM 358 CA THR A 38 8.099 5.394 -5.172 1.00 10.00 C ATOM 359 C THR A 38 6.953 4.870 -6.040 1.00 10.00 C ATOM 360 O THR A 38 5.905 5.508 -6.147 1.00 10.00 O ATOM 361 CB THR A 38 7.681 5.371 -3.690 1.00 10.00 C ATOM 362 OG1 THR A 38 8.778 5.801 -2.872 1.00 10.00 O ATOM 363 CG2 THR A 38 7.240 3.984 -3.258 1.00 10.00 C ATOM 0 H THR A 38 8.120 7.468 -4.951 1.00 10.00 H new ATOM 0 HA THR A 38 8.959 4.741 -5.323 1.00 10.00 H new ATOM 0 HB THR A 38 6.836 6.049 -3.568 1.00 10.00 H new ATOM 0 HG1 THR A 38 8.567 5.637 -1.929 1.00 10.00 H new ATOM 0 HG21 THR A 38 6.952 4.005 -2.207 1.00 10.00 H new ATOM 0 HG22 THR A 38 6.389 3.669 -3.861 1.00 10.00 H new ATOM 0 HG23 THR A 38 8.062 3.282 -3.395 1.00 10.00 H new ATOM 371 N PRO A 39 7.150 3.707 -6.686 1.00 10.00 N ATOM 372 CA PRO A 39 6.129 3.086 -7.534 1.00 10.00 C ATOM 373 C PRO A 39 4.843 2.784 -6.764 1.00 10.00 C ATOM 374 O PRO A 39 4.880 2.388 -5.596 1.00 10.00 O ATOM 375 CB PRO A 39 6.786 1.782 -8.002 1.00 10.00 C ATOM 376 CG PRO A 39 8.247 1.994 -7.826 1.00 10.00 C ATOM 377 CD PRO A 39 8.392 2.916 -6.651 1.00 10.00 C ATOM 0 HA PRO A 39 5.830 3.742 -8.351 1.00 10.00 H new ATOM 0 HB2 PRO A 39 6.438 0.933 -7.414 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.542 1.570 -9.043 1.00 10.00 H new ATOM 0 HG2 PRO A 39 8.760 1.049 -7.646 1.00 10.00 H new ATOM 0 HG3 PRO A 39 8.689 2.431 -8.722 1.00 10.00 H new ATOM 0 HD2 PRO A 39 8.491 2.364 -5.716 1.00 10.00 H new ATOM 0 HD3 PRO A 39 9.275 3.549 -6.743 1.00 10.00 H new ATOM 385 N LEU A 40 3.709 2.954 -7.432 1.00 10.00 N ATOM 386 CA LEU A 40 2.407 2.721 -6.816 1.00 10.00 C ATOM 387 C LEU A 40 2.093 1.226 -6.703 1.00 10.00 C ATOM 388 O LEU A 40 1.101 0.837 -6.084 1.00 10.00 O ATOM 389 CB LEU A 40 1.317 3.425 -7.623 1.00 10.00 C ATOM 390 CG LEU A 40 1.485 4.941 -7.750 1.00 10.00 C ATOM 391 CD1 LEU A 40 0.601 5.485 -8.858 1.00 10.00 C ATOM 392 CD2 LEU A 40 1.170 5.625 -6.429 1.00 10.00 C ATOM 0 H LEU A 40 3.664 3.254 -8.406 1.00 10.00 H new ATOM 0 HA LEU A 40 2.437 3.131 -5.806 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.289 2.992 -8.623 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.352 3.219 -7.160 1.00 10.00 H new ATOM 0 HG LEU A 40 2.523 5.152 -8.006 1.00 10.00 H new ATOM 0 HD11 LEU A 40 0.734 6.564 -8.933 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.875 5.019 -9.804 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.442 5.263 -8.633 1.00 10.00 H new ATOM 0 HD21 LEU A 40 1.295 6.702 -6.538 1.00 10.00 H new ATOM 0 HD22 LEU A 40 0.141 5.406 -6.142 1.00 10.00 H new ATOM 0 HD23 LEU A 40 1.848 5.258 -5.658 1.00 10.00 H new ATOM 404 N SER A 41 2.950 0.396 -7.287 1.00 10.00 N ATOM 405 CA SER A 41 2.765 -1.048 -7.253 1.00 10.00 C ATOM 406 C SER A 41 2.779 -1.565 -5.817 1.00 10.00 C ATOM 407 O SER A 41 1.914 -2.349 -5.420 1.00 10.00 O ATOM 408 CB SER A 41 3.864 -1.725 -8.067 1.00 10.00 C ATOM 409 OG SER A 41 5.080 -1.004 -7.955 1.00 10.00 O ATOM 0 H SER A 41 3.782 0.701 -7.791 1.00 10.00 H new ATOM 0 HA SER A 41 1.794 -1.285 -7.688 1.00 10.00 H new ATOM 0 HB2 SER A 41 4.007 -2.747 -7.717 1.00 10.00 H new ATOM 0 HB3 SER A 41 3.565 -1.785 -9.113 1.00 10.00 H new ATOM 0 HG SER A 41 5.775 -1.452 -8.481 1.00 10.00 H new ATOM 415 N LYS A 42 3.754 -1.109 -5.032 1.00 10.00 N ATOM 416 CA LYS A 42 3.863 -1.533 -3.642 1.00 10.00 C ATOM 417 C LYS A 42 2.675 -1.021 -2.836 1.00 10.00 C ATOM 418 O LYS A 42 2.260 -1.653 -1.873 1.00 10.00 O ATOM 419 CB LYS A 42 5.177 -1.064 -2.994 1.00 10.00 C ATOM 420 CG LYS A 42 6.064 -0.211 -3.892 1.00 10.00 C ATOM 421 CD LYS A 42 7.153 0.501 -3.096 1.00 10.00 C ATOM 422 CE LYS A 42 8.080 -0.473 -2.376 1.00 10.00 C ATOM 423 NZ LYS A 42 9.015 -1.159 -3.308 1.00 10.00 N ATOM 0 H LYS A 42 4.473 -0.451 -5.334 1.00 10.00 H new ATOM 0 HA LYS A 42 3.863 -2.623 -3.638 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.939 -0.495 -2.095 1.00 10.00 H new ATOM 0 HB3 LYS A 42 5.742 -1.940 -2.676 1.00 10.00 H new ATOM 0 HG2 LYS A 42 6.523 -0.841 -4.654 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.453 0.526 -4.413 1.00 10.00 H new ATOM 0 HD2 LYS A 42 7.740 1.127 -3.768 1.00 10.00 H new ATOM 0 HD3 LYS A 42 6.690 1.165 -2.366 1.00 10.00 H new ATOM 0 HE2 LYS A 42 8.653 0.066 -1.621 1.00 10.00 H new ATOM 0 HE3 LYS A 42 7.483 -1.218 -1.851 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 9.624 -1.810 -2.772 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 8.471 -1.696 -4.013 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 9.605 -0.452 -3.791 1.00 10.00 H new ATOM 437 N LEU A 43 2.122 0.112 -3.256 1.00 10.00 N ATOM 438 CA LEU A 43 0.974 0.714 -2.580 1.00 10.00 C ATOM 439 C LEU A 43 -0.266 -0.153 -2.759 1.00 10.00 C ATOM 440 O LEU A 43 -0.925 -0.519 -1.783 1.00 10.00 O ATOM 441 CB LEU A 43 0.721 2.125 -3.136 1.00 10.00 C ATOM 442 CG LEU A 43 -0.336 2.961 -2.404 1.00 10.00 C ATOM 443 CD1 LEU A 43 0.008 4.437 -2.499 1.00 10.00 C ATOM 444 CD2 LEU A 43 -1.721 2.717 -2.981 1.00 10.00 C ATOM 0 H LEU A 43 2.452 0.636 -4.067 1.00 10.00 H new ATOM 0 HA LEU A 43 1.193 0.785 -1.515 1.00 10.00 H new ATOM 0 HB2 LEU A 43 1.663 2.673 -3.120 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.423 2.033 -4.180 1.00 10.00 H new ATOM 0 HG LEU A 43 -0.341 2.658 -1.357 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -0.749 5.021 -1.976 1.00 10.00 H new ATOM 0 HD12 LEU A 43 0.982 4.614 -2.043 1.00 10.00 H new ATOM 0 HD13 LEU A 43 0.038 4.737 -3.547 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -2.451 3.322 -2.443 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.729 2.991 -4.036 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -1.978 1.663 -2.878 1.00 10.00 H new ATOM 456 N MET A 44 -0.563 -0.488 -4.011 1.00 10.00 N ATOM 457 CA MET A 44 -1.725 -1.310 -4.336 1.00 10.00 C ATOM 458 C MET A 44 -1.665 -2.655 -3.622 1.00 10.00 C ATOM 459 O MET A 44 -2.659 -3.123 -3.067 1.00 10.00 O ATOM 460 CB MET A 44 -1.809 -1.537 -5.850 1.00 10.00 C ATOM 461 CG MET A 44 -2.305 -0.328 -6.628 1.00 10.00 C ATOM 462 SD MET A 44 -2.504 -0.665 -8.391 1.00 10.00 S ATOM 463 CE MET A 44 -0.793 -0.803 -8.904 1.00 10.00 C ATOM 0 H MET A 44 -0.013 -0.202 -4.821 1.00 10.00 H new ATOM 0 HA MET A 44 -2.614 -0.777 -3.998 1.00 10.00 H new ATOM 0 HB2 MET A 44 -0.823 -1.816 -6.221 1.00 10.00 H new ATOM 0 HB3 MET A 44 -2.473 -2.379 -6.045 1.00 10.00 H new ATOM 0 HG2 MET A 44 -3.260 -0.002 -6.215 1.00 10.00 H new ATOM 0 HG3 MET A 44 -1.603 0.496 -6.497 1.00 10.00 H new ATOM 0 HE1 MET A 44 -0.738 -0.797 -9.993 1.00 10.00 H new ATOM 0 HE2 MET A 44 -0.225 0.039 -8.508 1.00 10.00 H new ATOM 0 HE3 MET A 44 -0.373 -1.735 -8.524 1.00 10.00 H new ATOM 473 N LYS A 45 -0.488 -3.259 -3.623 1.00 10.00 N ATOM 474 CA LYS A 45 -0.300 -4.558 -2.993 1.00 10.00 C ATOM 475 C LYS A 45 -0.292 -4.459 -1.469 1.00 10.00 C ATOM 476 O LYS A 45 -0.854 -5.318 -0.798 1.00 10.00 O ATOM 477 CB LYS A 45 0.988 -5.214 -3.502 1.00 10.00 C ATOM 478 CG LYS A 45 0.858 -5.753 -4.920 1.00 10.00 C ATOM 479 CD LYS A 45 2.134 -6.426 -5.400 1.00 10.00 C ATOM 480 CE LYS A 45 3.147 -5.415 -5.920 1.00 10.00 C ATOM 481 NZ LYS A 45 3.992 -5.984 -7.004 1.00 10.00 N ATOM 0 H LYS A 45 0.352 -2.872 -4.053 1.00 10.00 H new ATOM 0 HA LYS A 45 -1.148 -5.184 -3.269 1.00 10.00 H new ATOM 0 HB2 LYS A 45 1.798 -4.486 -3.468 1.00 10.00 H new ATOM 0 HB3 LYS A 45 1.264 -6.029 -2.833 1.00 10.00 H new ATOM 0 HG2 LYS A 45 0.036 -6.467 -4.961 1.00 10.00 H new ATOM 0 HG3 LYS A 45 0.605 -4.936 -5.595 1.00 10.00 H new ATOM 0 HD2 LYS A 45 2.575 -6.994 -4.581 1.00 10.00 H new ATOM 0 HD3 LYS A 45 1.894 -7.139 -6.189 1.00 10.00 H new ATOM 0 HE2 LYS A 45 2.623 -4.535 -6.292 1.00 10.00 H new ATOM 0 HE3 LYS A 45 3.783 -5.084 -5.099 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 4.668 -5.265 -7.331 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 4.512 -6.809 -6.642 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 3.387 -6.277 -7.798 1.00 10.00 H new ATOM 495 N ALA A 46 0.321 -3.407 -0.925 1.00 10.00 N ATOM 496 CA ALA A 46 0.391 -3.225 0.530 1.00 10.00 C ATOM 497 C ALA A 46 -0.995 -3.198 1.160 1.00 10.00 C ATOM 498 O ALA A 46 -1.267 -3.920 2.119 1.00 10.00 O ATOM 499 CB ALA A 46 1.147 -1.954 0.888 1.00 10.00 C ATOM 0 H ALA A 46 0.775 -2.670 -1.465 1.00 10.00 H new ATOM 0 HA ALA A 46 0.933 -4.081 0.932 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.183 -1.845 1.972 1.00 10.00 H new ATOM 0 HB2 ALA A 46 2.162 -2.012 0.495 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.638 -1.093 0.454 1.00 10.00 H new ATOM 505 N TYR A 47 -1.873 -2.367 0.614 1.00 10.00 N ATOM 506 CA TYR A 47 -3.231 -2.255 1.128 1.00 10.00 C ATOM 507 C TYR A 47 -3.980 -3.575 0.956 1.00 10.00 C ATOM 508 O TYR A 47 -4.746 -3.985 1.829 1.00 10.00 O ATOM 509 CB TYR A 47 -3.974 -1.112 0.426 1.00 10.00 C ATOM 510 CG TYR A 47 -5.470 -1.106 0.668 1.00 10.00 C ATOM 511 CD1 TYR A 47 -6.352 -1.461 -0.344 1.00 10.00 C ATOM 512 CD2 TYR A 47 -5.996 -0.750 1.905 1.00 10.00 C ATOM 513 CE1 TYR A 47 -7.718 -1.463 -0.132 1.00 10.00 C ATOM 514 CE2 TYR A 47 -7.363 -0.748 2.125 1.00 10.00 C ATOM 515 CZ TYR A 47 -8.220 -1.105 1.101 1.00 10.00 C ATOM 516 OH TYR A 47 -9.583 -1.112 1.313 1.00 10.00 O ATOM 0 H TYR A 47 -1.670 -1.763 -0.182 1.00 10.00 H new ATOM 0 HA TYR A 47 -3.182 -2.029 2.193 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -3.559 -0.162 0.762 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -3.790 -1.178 -0.646 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.964 -1.740 -1.313 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -5.328 -0.471 2.706 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.390 -1.744 -0.930 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -7.757 -0.469 3.091 1.00 10.00 H new ATOM 0 HH TYR A 47 -9.772 -0.836 2.234 1.00 10.00 H new ATOM 526 N CYS A 48 -3.730 -4.250 -0.156 1.00 10.00 N ATOM 527 CA CYS A 48 -4.382 -5.519 -0.437 1.00 10.00 C ATOM 528 C CYS A 48 -3.904 -6.597 0.536 1.00 10.00 C ATOM 529 O CYS A 48 -4.703 -7.384 1.048 1.00 10.00 O ATOM 530 CB CYS A 48 -4.113 -5.940 -1.878 1.00 10.00 C ATOM 531 SG CYS A 48 -5.193 -7.257 -2.465 1.00 10.00 S ATOM 0 H CYS A 48 -3.080 -3.940 -0.878 1.00 10.00 H new ATOM 0 HA CYS A 48 -5.457 -5.395 -0.305 1.00 10.00 H new ATOM 0 HB2 CYS A 48 -4.228 -5.072 -2.528 1.00 10.00 H new ATOM 0 HB3 CYS A 48 -3.077 -6.267 -1.964 1.00 10.00 H new ATOM 0 HG CYS A 48 -4.719 -8.407 -2.089 1.00 10.00 H new ATOM 537 N GLU A 49 -2.601 -6.618 0.799 1.00 10.00 N ATOM 538 CA GLU A 49 -2.019 -7.583 1.725 1.00 10.00 C ATOM 539 C GLU A 49 -2.569 -7.355 3.126 1.00 10.00 C ATOM 540 O GLU A 49 -2.706 -8.288 3.913 1.00 10.00 O ATOM 541 CB GLU A 49 -0.495 -7.464 1.739 1.00 10.00 C ATOM 542 CG GLU A 49 0.174 -7.971 0.474 1.00 10.00 C ATOM 543 CD GLU A 49 0.427 -9.463 0.499 1.00 10.00 C ATOM 544 OE1 GLU A 49 1.158 -9.929 1.394 1.00 10.00 O ATOM 545 OE2 GLU A 49 -0.096 -10.180 -0.381 1.00 10.00 O ATOM 0 H GLU A 49 -1.927 -5.976 0.383 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.286 -8.586 1.393 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.223 -6.419 1.888 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.105 -8.019 2.592 1.00 10.00 H new ATOM 0 HG2 GLU A 49 -0.452 -7.728 -0.385 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.121 -7.449 0.336 1.00 10.00 H new ATOM 552 N ARG A 50 -2.885 -6.099 3.424 1.00 10.00 N ATOM 553 CA ARG A 50 -3.438 -5.730 4.723 1.00 10.00 C ATOM 554 C ARG A 50 -4.857 -6.261 4.868 1.00 10.00 C ATOM 555 O ARG A 50 -5.286 -6.617 5.964 1.00 10.00 O ATOM 556 CB ARG A 50 -3.440 -4.213 4.899 1.00 10.00 C ATOM 557 CG ARG A 50 -2.121 -3.650 5.399 1.00 10.00 C ATOM 558 CD ARG A 50 -2.291 -2.965 6.746 1.00 10.00 C ATOM 559 NE ARG A 50 -1.076 -2.279 7.181 1.00 10.00 N ATOM 560 CZ ARG A 50 -1.007 -1.501 8.258 1.00 10.00 C ATOM 561 NH1 ARG A 50 -2.084 -1.307 9.008 1.00 10.00 N ATOM 562 NH2 ARG A 50 0.132 -0.904 8.574 1.00 10.00 N ATOM 0 H ARG A 50 -2.767 -5.316 2.781 1.00 10.00 H new ATOM 0 HA ARG A 50 -2.809 -6.174 5.494 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -3.684 -3.747 3.945 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -4.229 -3.939 5.599 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -1.389 -4.453 5.486 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -1.728 -2.938 4.673 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -3.108 -2.246 6.684 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -2.574 -3.706 7.494 1.00 10.00 H new ATOM 0 HE ARG A 50 -0.230 -2.404 6.625 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -2.966 -1.755 8.759 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -2.030 -0.710 9.834 1.00 10.00 H new ATOM 0 HH21 ARG A 50 0.958 -1.040 7.991 1.00 10.00 H new ATOM 0 HH22 ARG A 50 0.183 -0.308 9.400 1.00 10.00 H new ATOM 576 N GLN A 51 -5.579 -6.312 3.756 1.00 10.00 N ATOM 577 CA GLN A 51 -6.951 -6.805 3.759 1.00 10.00 C ATOM 578 C GLN A 51 -6.966 -8.326 3.811 1.00 10.00 C ATOM 579 O GLN A 51 -7.885 -8.929 4.367 1.00 10.00 O ATOM 580 CB GLN A 51 -7.711 -6.322 2.518 1.00 10.00 C ATOM 581 CG GLN A 51 -7.848 -4.811 2.435 1.00 10.00 C ATOM 582 CD GLN A 51 -8.463 -4.205 3.682 1.00 10.00 C ATOM 583 OE1 GLN A 51 -7.759 -3.851 4.625 1.00 10.00 O ATOM 584 NE2 GLN A 51 -9.781 -4.083 3.694 1.00 10.00 N ATOM 0 H GLN A 51 -5.238 -6.018 2.841 1.00 10.00 H new ATOM 0 HA GLN A 51 -7.448 -6.410 4.645 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -7.198 -6.681 1.626 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -8.705 -6.769 2.515 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -6.865 -4.371 2.270 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -8.461 -4.554 1.572 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -10.329 -4.389 2.890 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -10.249 -3.683 4.507 1.00 10.00 H new ATOM 593 N GLY A 52 -5.939 -8.934 3.226 1.00 10.00 N ATOM 594 CA GLY A 52 -5.837 -10.382 3.207 1.00 10.00 C ATOM 595 C GLY A 52 -6.476 -10.981 1.973 1.00 10.00 C ATOM 596 O GLY A 52 -7.206 -11.967 2.060 1.00 10.00 O ATOM 0 H GLY A 52 -5.172 -8.447 2.763 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -4.787 -10.672 3.248 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.315 -10.791 4.097 1.00 10.00 H new ATOM 600 N LEU A 53 -6.202 -10.381 0.822 1.00 10.00 N ATOM 601 CA LEU A 53 -6.759 -10.848 -0.443 1.00 10.00 C ATOM 602 C LEU A 53 -5.737 -10.687 -1.565 1.00 10.00 C ATOM 603 O LEU A 53 -4.582 -10.332 -1.315 1.00 10.00 O ATOM 604 CB LEU A 53 -8.028 -10.066 -0.785 1.00 10.00 C ATOM 605 CG LEU A 53 -9.238 -10.343 0.107 1.00 10.00 C ATOM 606 CD1 LEU A 53 -10.299 -9.272 -0.092 1.00 10.00 C ATOM 607 CD2 LEU A 53 -9.817 -11.717 -0.191 1.00 10.00 C ATOM 0 H LEU A 53 -5.595 -9.566 0.737 1.00 10.00 H new ATOM 0 HA LEU A 53 -7.009 -11.904 -0.340 1.00 10.00 H new ATOM 0 HB2 LEU A 53 -7.800 -9.001 -0.737 1.00 10.00 H new ATOM 0 HB3 LEU A 53 -8.302 -10.287 -1.817 1.00 10.00 H new ATOM 0 HG LEU A 53 -8.910 -10.322 1.146 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -11.154 -9.483 0.550 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -9.885 -8.297 0.165 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -10.620 -9.267 -1.134 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -10.678 -11.897 0.453 1.00 10.00 H new ATOM 0 HD22 LEU A 53 -10.129 -11.762 -1.234 1.00 10.00 H new ATOM 0 HD23 LEU A 53 -9.060 -12.479 -0.006 1.00 10.00 H new ATOM 619 N SER A 54 -6.165 -10.944 -2.796 1.00 10.00 N ATOM 620 CA SER A 54 -5.289 -10.820 -3.955 1.00 10.00 C ATOM 621 C SER A 54 -5.555 -9.506 -4.681 1.00 10.00 C ATOM 622 O SER A 54 -6.700 -9.056 -4.767 1.00 10.00 O ATOM 623 CB SER A 54 -5.501 -11.996 -4.914 1.00 10.00 C ATOM 624 OG SER A 54 -4.822 -11.788 -6.143 1.00 10.00 O ATOM 0 H SER A 54 -7.116 -11.240 -3.017 1.00 10.00 H new ATOM 0 HA SER A 54 -4.256 -10.831 -3.608 1.00 10.00 H new ATOM 0 HB2 SER A 54 -5.144 -12.915 -4.450 1.00 10.00 H new ATOM 0 HB3 SER A 54 -6.567 -12.127 -5.102 1.00 10.00 H new ATOM 0 HG SER A 54 -4.974 -12.555 -6.734 1.00 10.00 H new ATOM 630 N MET A 55 -4.498 -8.900 -5.214 1.00 10.00 N ATOM 631 CA MET A 55 -4.616 -7.633 -5.932 1.00 10.00 C ATOM 632 C MET A 55 -5.428 -7.812 -7.215 1.00 10.00 C ATOM 633 O MET A 55 -5.993 -6.860 -7.746 1.00 10.00 O ATOM 634 CB MET A 55 -3.228 -7.081 -6.259 1.00 10.00 C ATOM 635 CG MET A 55 -3.239 -5.630 -6.713 1.00 10.00 C ATOM 636 SD MET A 55 -1.678 -5.128 -7.464 1.00 10.00 S ATOM 637 CE MET A 55 -1.659 -6.178 -8.916 1.00 10.00 C ATOM 0 H MET A 55 -3.547 -9.266 -5.162 1.00 10.00 H new ATOM 0 HA MET A 55 -5.138 -6.922 -5.291 1.00 10.00 H new ATOM 0 HB2 MET A 55 -2.594 -7.172 -5.377 1.00 10.00 H new ATOM 0 HB3 MET A 55 -2.778 -7.694 -7.040 1.00 10.00 H new ATOM 0 HG2 MET A 55 -4.047 -5.483 -7.430 1.00 10.00 H new ATOM 0 HG3 MET A 55 -3.450 -4.987 -5.859 1.00 10.00 H new ATOM 0 HE1 MET A 55 -0.770 -6.808 -8.898 1.00 10.00 H new ATOM 0 HE2 MET A 55 -2.549 -6.807 -8.922 1.00 10.00 H new ATOM 0 HE3 MET A 55 -1.647 -5.559 -9.813 1.00 10.00 H new ATOM 647 N ARG A 56 -5.504 -9.048 -7.691 1.00 10.00 N ATOM 648 CA ARG A 56 -6.251 -9.362 -8.905 1.00 10.00 C ATOM 649 C ARG A 56 -7.753 -9.409 -8.612 1.00 10.00 C ATOM 650 O ARG A 56 -8.583 -9.394 -9.526 1.00 10.00 O ATOM 651 CB ARG A 56 -5.773 -10.702 -9.476 1.00 10.00 C ATOM 652 CG ARG A 56 -6.322 -11.024 -10.856 1.00 10.00 C ATOM 653 CD ARG A 56 -5.749 -12.323 -11.391 1.00 10.00 C ATOM 654 NE ARG A 56 -6.411 -12.758 -12.622 1.00 10.00 N ATOM 655 CZ ARG A 56 -5.763 -13.136 -13.726 1.00 10.00 C ATOM 656 NH1 ARG A 56 -4.436 -13.135 -13.764 1.00 10.00 N ATOM 657 NH2 ARG A 56 -6.446 -13.519 -14.796 1.00 10.00 N ATOM 0 H ARG A 56 -5.056 -9.853 -7.254 1.00 10.00 H new ATOM 0 HA ARG A 56 -6.072 -8.580 -9.643 1.00 10.00 H new ATOM 0 HB2 ARG A 56 -4.684 -10.696 -9.523 1.00 10.00 H new ATOM 0 HB3 ARG A 56 -6.058 -11.499 -8.789 1.00 10.00 H new ATOM 0 HG2 ARG A 56 -7.409 -11.096 -10.809 1.00 10.00 H new ATOM 0 HG3 ARG A 56 -6.086 -10.211 -11.542 1.00 10.00 H new ATOM 0 HD2 ARG A 56 -4.683 -12.197 -11.580 1.00 10.00 H new ATOM 0 HD3 ARG A 56 -5.849 -13.100 -10.634 1.00 10.00 H new ATOM 0 HE ARG A 56 -7.431 -12.773 -12.637 1.00 10.00 H new ATOM 0 HH11 ARG A 56 -3.903 -12.844 -12.945 1.00 10.00 H new ATOM 0 HH12 ARG A 56 -3.950 -13.426 -14.612 1.00 10.00 H new ATOM 0 HH21 ARG A 56 -7.466 -13.525 -14.775 1.00 10.00 H new ATOM 0 HH22 ARG A 56 -5.952 -13.808 -15.640 1.00 10.00 H new ATOM 671 N GLN A 57 -8.092 -9.428 -7.329 1.00 10.00 N ATOM 672 CA GLN A 57 -9.483 -9.490 -6.891 1.00 10.00 C ATOM 673 C GLN A 57 -10.097 -8.094 -6.782 1.00 10.00 C ATOM 674 O GLN A 57 -11.301 -7.953 -6.571 1.00 10.00 O ATOM 675 CB GLN A 57 -9.564 -10.196 -5.537 1.00 10.00 C ATOM 676 CG GLN A 57 -10.749 -11.135 -5.397 1.00 10.00 C ATOM 677 CD GLN A 57 -10.678 -11.957 -4.126 1.00 10.00 C ATOM 678 OE1 GLN A 57 -9.595 -12.222 -3.605 1.00 10.00 O ATOM 679 NE2 GLN A 57 -11.827 -12.375 -3.622 1.00 10.00 N ATOM 0 H GLN A 57 -7.416 -9.401 -6.566 1.00 10.00 H new ATOM 0 HA GLN A 57 -10.048 -10.050 -7.636 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -8.646 -10.761 -5.379 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -9.615 -9.444 -4.750 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -11.672 -10.556 -5.403 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -10.786 -11.802 -6.258 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -12.704 -12.134 -4.084 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -11.836 -12.938 -2.772 1.00 10.00 H new ATOM 688 N ILE A 58 -9.275 -7.066 -6.924 1.00 10.00 N ATOM 689 CA ILE A 58 -9.755 -5.692 -6.829 1.00 10.00 C ATOM 690 C ILE A 58 -9.203 -4.839 -7.960 1.00 10.00 C ATOM 691 O ILE A 58 -8.350 -5.283 -8.727 1.00 10.00 O ATOM 692 CB ILE A 58 -9.377 -5.041 -5.481 1.00 10.00 C ATOM 693 CG1 ILE A 58 -7.919 -5.344 -5.121 1.00 10.00 C ATOM 694 CG2 ILE A 58 -10.318 -5.509 -4.378 1.00 10.00 C ATOM 695 CD1 ILE A 58 -7.472 -4.720 -3.817 1.00 10.00 C ATOM 0 H ILE A 58 -8.275 -7.154 -7.105 1.00 10.00 H new ATOM 0 HA ILE A 58 -10.841 -5.739 -6.903 1.00 10.00 H new ATOM 0 HB ILE A 58 -9.481 -3.961 -5.581 1.00 10.00 H new ATOM 0 HG12 ILE A 58 -7.786 -6.424 -5.061 1.00 10.00 H new ATOM 0 HG13 ILE A 58 -7.274 -4.987 -5.924 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -10.036 -5.040 -3.436 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -11.341 -5.230 -4.630 1.00 10.00 H new ATOM 0 HG23 ILE A 58 -10.251 -6.592 -4.278 1.00 10.00 H new ATOM 0 HD11 ILE A 58 -6.430 -4.978 -3.629 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -7.572 -3.636 -3.879 1.00 10.00 H new ATOM 0 HD13 ILE A 58 -8.092 -5.096 -3.003 1.00 10.00 H new ATOM 707 N ARG A 59 -9.714 -3.624 -8.072 1.00 10.00 N ATOM 708 CA ARG A 59 -9.276 -2.688 -9.097 1.00 10.00 C ATOM 709 C ARG A 59 -9.105 -1.308 -8.484 1.00 10.00 C ATOM 710 O ARG A 59 -9.965 -0.847 -7.729 1.00 10.00 O ATOM 711 CB ARG A 59 -10.287 -2.620 -10.247 1.00 10.00 C ATOM 712 CG ARG A 59 -10.402 -3.906 -11.050 1.00 10.00 C ATOM 713 CD ARG A 59 -9.078 -4.283 -11.706 1.00 10.00 C ATOM 714 NE ARG A 59 -9.215 -5.452 -12.572 1.00 10.00 N ATOM 715 CZ ARG A 59 -9.086 -6.713 -12.158 1.00 10.00 C ATOM 716 NH1 ARG A 59 -8.810 -6.977 -10.883 1.00 10.00 N ATOM 717 NH2 ARG A 59 -9.234 -7.708 -13.026 1.00 10.00 N ATOM 0 H ARG A 59 -10.442 -3.259 -7.458 1.00 10.00 H new ATOM 0 HA ARG A 59 -8.324 -3.035 -9.498 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -11.267 -2.369 -9.841 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -10.003 -1.809 -10.918 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -10.727 -4.715 -10.396 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -11.168 -3.789 -11.817 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -8.708 -3.440 -12.289 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -8.335 -4.487 -10.935 1.00 10.00 H new ATOM 0 HE ARG A 59 -9.423 -5.293 -13.558 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -8.696 -6.213 -10.217 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -8.712 -7.943 -10.572 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -9.445 -7.505 -14.003 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -9.136 -8.675 -12.715 1.00 10.00 H new ATOM 731 N PHE A 60 -7.998 -0.658 -8.794 1.00 10.00 N ATOM 732 CA PHE A 60 -7.729 0.667 -8.267 1.00 10.00 C ATOM 733 C PHE A 60 -7.964 1.718 -9.347 1.00 10.00 C ATOM 734 O PHE A 60 -7.524 1.561 -10.489 1.00 10.00 O ATOM 735 CB PHE A 60 -6.297 0.757 -7.734 1.00 10.00 C ATOM 736 CG PHE A 60 -6.028 -0.144 -6.558 1.00 10.00 C ATOM 737 CD1 PHE A 60 -5.750 -1.488 -6.743 1.00 10.00 C ATOM 738 CD2 PHE A 60 -6.050 0.358 -5.265 1.00 10.00 C ATOM 739 CE1 PHE A 60 -5.500 -2.314 -5.665 1.00 10.00 C ATOM 740 CE2 PHE A 60 -5.800 -0.463 -4.184 1.00 10.00 C ATOM 741 CZ PHE A 60 -5.525 -1.800 -4.384 1.00 10.00 C ATOM 0 H PHE A 60 -7.271 -1.026 -9.408 1.00 10.00 H new ATOM 0 HA PHE A 60 -8.412 0.856 -7.439 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -5.604 0.507 -8.537 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -6.091 1.788 -7.445 1.00 10.00 H new ATOM 0 HD1 PHE A 60 -5.728 -1.895 -7.743 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -6.265 1.404 -5.102 1.00 10.00 H new ATOM 0 HE1 PHE A 60 -5.285 -3.360 -5.824 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -5.820 -0.059 -3.183 1.00 10.00 H new ATOM 0 HZ PHE A 60 -5.329 -2.444 -3.539 1.00 10.00 H new ATOM 751 N ARG A 61 -8.665 2.781 -8.986 1.00 10.00 N ATOM 752 CA ARG A 61 -8.973 3.844 -9.928 1.00 10.00 C ATOM 753 C ARG A 61 -8.517 5.194 -9.386 1.00 10.00 C ATOM 754 O ARG A 61 -8.605 5.454 -8.185 1.00 10.00 O ATOM 755 CB ARG A 61 -10.477 3.866 -10.216 1.00 10.00 C ATOM 756 CG ARG A 61 -10.828 4.284 -11.634 1.00 10.00 C ATOM 757 CD ARG A 61 -12.333 4.330 -11.849 1.00 10.00 C ATOM 758 NE ARG A 61 -12.764 3.435 -12.923 1.00 10.00 N ATOM 759 CZ ARG A 61 -14.038 3.238 -13.265 1.00 10.00 C ATOM 760 NH1 ARG A 61 -15.010 3.863 -12.615 1.00 10.00 N ATOM 761 NH2 ARG A 61 -14.340 2.397 -14.246 1.00 10.00 N ATOM 0 H ARG A 61 -9.032 2.930 -8.046 1.00 10.00 H new ATOM 0 HA ARG A 61 -8.436 3.652 -10.857 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -10.887 2.874 -10.029 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -10.961 4.548 -9.517 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -10.400 5.265 -11.841 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -10.380 3.586 -12.341 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -12.839 4.055 -10.924 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -12.634 5.351 -12.086 1.00 10.00 H new ATOM 0 HE ARG A 61 -12.046 2.930 -13.442 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -14.785 4.498 -11.849 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -15.983 3.709 -12.881 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -13.598 1.901 -14.739 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -15.315 2.247 -14.507 1.00 10.00 H new ATOM 775 N PHE A 62 -8.018 6.042 -10.278 1.00 10.00 N ATOM 776 CA PHE A 62 -7.546 7.366 -9.906 1.00 10.00 C ATOM 777 C PHE A 62 -8.024 8.405 -10.916 1.00 10.00 C ATOM 778 O PHE A 62 -7.732 8.297 -12.111 1.00 10.00 O ATOM 779 CB PHE A 62 -6.016 7.376 -9.820 1.00 10.00 C ATOM 780 CG PHE A 62 -5.435 8.744 -9.603 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.488 9.345 -8.357 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.838 9.433 -10.653 1.00 10.00 C ATOM 783 CE1 PHE A 62 -4.962 10.606 -8.161 1.00 10.00 C ATOM 784 CE2 PHE A 62 -4.309 10.694 -10.459 1.00 10.00 C ATOM 785 CZ PHE A 62 -4.372 11.281 -9.213 1.00 10.00 C ATOM 0 H PHE A 62 -7.930 5.831 -11.272 1.00 10.00 H new ATOM 0 HA PHE A 62 -7.955 7.619 -8.928 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -5.702 6.724 -9.005 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -5.606 6.958 -10.739 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -5.945 8.822 -7.530 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.787 8.977 -11.631 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -5.011 11.066 -7.185 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -3.847 11.219 -11.282 1.00 10.00 H new ATOM 0 HZ PHE A 62 -3.961 12.268 -9.059 1.00 10.00 H new ATOM 795 N ASP A 63 -8.783 9.389 -10.430 1.00 10.00 N ATOM 796 CA ASP A 63 -9.313 10.474 -11.270 1.00 10.00 C ATOM 797 C ASP A 63 -10.310 9.929 -12.302 1.00 10.00 C ATOM 798 O ASP A 63 -10.683 10.610 -13.258 1.00 10.00 O ATOM 799 CB ASP A 63 -8.159 11.229 -11.957 1.00 10.00 C ATOM 800 CG ASP A 63 -8.600 12.506 -12.657 1.00 10.00 C ATOM 801 OD1 ASP A 63 -9.023 13.459 -11.967 1.00 10.00 O ATOM 802 OD2 ASP A 63 -8.498 12.570 -13.901 1.00 10.00 O ATOM 0 H ASP A 63 -9.049 9.460 -9.448 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.849 11.177 -10.632 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.402 11.475 -11.212 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.687 10.570 -12.685 1.00 10.00 H new ATOM 807 N GLY A 64 -10.758 8.701 -12.086 1.00 10.00 N ATOM 808 CA GLY A 64 -11.698 8.080 -12.995 1.00 10.00 C ATOM 809 C GLY A 64 -11.015 7.162 -13.988 1.00 10.00 C ATOM 810 O GLY A 64 -11.675 6.537 -14.818 1.00 10.00 O ATOM 0 H GLY A 64 -10.485 8.121 -11.293 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -12.432 7.512 -12.423 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -12.244 8.854 -13.535 1.00 10.00 H new ATOM 814 N GLN A 65 -9.692 7.071 -13.895 1.00 10.00 N ATOM 815 CA GLN A 65 -8.914 6.228 -14.795 1.00 10.00 C ATOM 816 C GLN A 65 -8.231 5.097 -14.027 1.00 10.00 C ATOM 817 O GLN A 65 -7.882 5.258 -12.857 1.00 10.00 O ATOM 818 CB GLN A 65 -7.860 7.066 -15.528 1.00 10.00 C ATOM 819 CG GLN A 65 -8.445 8.226 -16.323 1.00 10.00 C ATOM 820 CD GLN A 65 -9.412 7.769 -17.399 1.00 10.00 C ATOM 821 OE1 GLN A 65 -9.277 6.676 -17.951 1.00 10.00 O ATOM 822 NE2 GLN A 65 -10.392 8.602 -17.710 1.00 10.00 N ATOM 0 H GLN A 65 -9.135 7.573 -13.203 1.00 10.00 H new ATOM 0 HA GLN A 65 -9.597 5.791 -15.524 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -7.149 7.458 -14.800 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -7.300 6.419 -16.204 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -8.959 8.905 -15.643 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -7.635 8.790 -16.784 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -10.471 9.499 -17.230 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -11.069 8.347 -18.429 1.00 10.00 H new ATOM 831 N PRO A 66 -8.043 3.935 -14.669 1.00 10.00 N ATOM 832 CA PRO A 66 -7.390 2.781 -14.040 1.00 10.00 C ATOM 833 C PRO A 66 -5.897 3.014 -13.813 1.00 10.00 C ATOM 834 O PRO A 66 -5.265 3.798 -14.524 1.00 10.00 O ATOM 835 CB PRO A 66 -7.605 1.653 -15.052 1.00 10.00 C ATOM 836 CG PRO A 66 -7.782 2.342 -16.358 1.00 10.00 C ATOM 837 CD PRO A 66 -8.460 3.647 -16.055 1.00 10.00 C ATOM 0 HA PRO A 66 -7.801 2.569 -13.053 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -6.752 0.975 -15.075 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -8.481 1.056 -14.798 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -6.821 2.507 -16.845 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -8.384 1.739 -17.038 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.144 4.433 -16.741 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -9.544 3.566 -16.140 1.00 10.00 H new ATOM 845 N ILE A 67 -5.341 2.333 -12.822 1.00 10.00 N ATOM 846 CA ILE A 67 -3.928 2.472 -12.500 1.00 10.00 C ATOM 847 C ILE A 67 -3.135 1.263 -12.992 1.00 10.00 C ATOM 848 O ILE A 67 -3.561 0.117 -12.824 1.00 10.00 O ATOM 849 CB ILE A 67 -3.725 2.642 -10.978 1.00 10.00 C ATOM 850 CG1 ILE A 67 -4.655 3.736 -10.446 1.00 10.00 C ATOM 851 CG2 ILE A 67 -2.270 2.973 -10.661 1.00 10.00 C ATOM 852 CD1 ILE A 67 -4.693 3.823 -8.940 1.00 10.00 C ATOM 0 H ILE A 67 -5.847 1.678 -12.226 1.00 10.00 H new ATOM 0 HA ILE A 67 -3.561 3.364 -13.007 1.00 10.00 H new ATOM 0 HB ILE A 67 -3.971 1.701 -10.486 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -4.337 4.698 -10.848 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -5.664 3.554 -10.816 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -2.149 3.088 -9.584 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -1.628 2.166 -11.013 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -1.991 3.902 -11.159 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.373 4.620 -8.639 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -5.041 2.875 -8.529 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -3.693 4.037 -8.563 1.00 10.00 H new ATOM 864 N ASN A 68 -1.988 1.529 -13.605 1.00 10.00 N ATOM 865 CA ASN A 68 -1.127 0.474 -14.121 1.00 10.00 C ATOM 866 C ASN A 68 -0.062 0.128 -13.091 1.00 10.00 C ATOM 867 O ASN A 68 0.256 0.939 -12.221 1.00 10.00 O ATOM 868 CB ASN A 68 -0.466 0.909 -15.435 1.00 10.00 C ATOM 869 CG ASN A 68 -1.463 1.089 -16.566 1.00 10.00 C ATOM 870 OD1 ASN A 68 -2.415 0.317 -16.709 1.00 10.00 O ATOM 871 ND2 ASN A 68 -1.247 2.108 -17.386 1.00 10.00 N ATOM 0 H ASN A 68 -1.632 2.473 -13.757 1.00 10.00 H new ATOM 0 HA ASN A 68 -1.737 -0.408 -14.318 1.00 10.00 H new ATOM 0 HB2 ASN A 68 0.067 1.846 -15.275 1.00 10.00 H new ATOM 0 HB3 ASN A 68 0.276 0.166 -15.726 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -1.879 2.276 -18.169 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -0.448 2.724 -17.234 1.00 10.00 H new ATOM 878 N GLU A 69 0.511 -1.063 -13.205 1.00 10.00 N ATOM 879 CA GLU A 69 1.534 -1.517 -12.266 1.00 10.00 C ATOM 880 C GLU A 69 2.916 -0.973 -12.628 1.00 10.00 C ATOM 881 O GLU A 69 3.942 -1.562 -12.282 1.00 10.00 O ATOM 882 CB GLU A 69 1.563 -3.044 -12.229 1.00 10.00 C ATOM 883 CG GLU A 69 0.261 -3.661 -11.749 1.00 10.00 C ATOM 884 CD GLU A 69 0.366 -5.159 -11.580 1.00 10.00 C ATOM 885 OE1 GLU A 69 1.206 -5.611 -10.771 1.00 10.00 O ATOM 886 OE2 GLU A 69 -0.391 -5.892 -12.250 1.00 10.00 O ATOM 0 H GLU A 69 0.286 -1.735 -13.939 1.00 10.00 H new ATOM 0 HA GLU A 69 1.277 -1.133 -11.279 1.00 10.00 H new ATOM 0 HB2 GLU A 69 1.788 -3.420 -13.227 1.00 10.00 H new ATOM 0 HB3 GLU A 69 2.373 -3.369 -11.576 1.00 10.00 H new ATOM 0 HG2 GLU A 69 -0.024 -3.209 -10.799 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.532 -3.432 -12.461 1.00 10.00 H new ATOM 893 N THR A 70 2.935 0.156 -13.314 1.00 10.00 N ATOM 894 CA THR A 70 4.179 0.788 -13.720 1.00 10.00 C ATOM 895 C THR A 70 4.070 2.304 -13.595 1.00 10.00 C ATOM 896 O THR A 70 4.856 3.048 -14.182 1.00 10.00 O ATOM 897 CB THR A 70 4.537 0.418 -15.169 1.00 10.00 C ATOM 898 OG1 THR A 70 3.474 -0.351 -15.753 1.00 10.00 O ATOM 899 CG2 THR A 70 5.832 -0.382 -15.220 1.00 10.00 C ATOM 0 H THR A 70 2.096 0.658 -13.604 1.00 10.00 H new ATOM 0 HA THR A 70 4.968 0.426 -13.060 1.00 10.00 H new ATOM 0 HB THR A 70 4.675 1.340 -15.734 1.00 10.00 H new ATOM 0 HG1 THR A 70 3.707 -0.582 -16.676 1.00 10.00 H new ATOM 0 HG21 THR A 70 6.065 -0.632 -16.255 1.00 10.00 H new ATOM 0 HG22 THR A 70 6.643 0.212 -14.799 1.00 10.00 H new ATOM 0 HG23 THR A 70 5.716 -1.299 -14.642 1.00 10.00 H new ATOM 907 N ASP A 71 3.097 2.756 -12.813 1.00 10.00 N ATOM 908 CA ASP A 71 2.871 4.184 -12.619 1.00 10.00 C ATOM 909 C ASP A 71 3.457 4.671 -11.299 1.00 10.00 C ATOM 910 O ASP A 71 3.663 3.892 -10.363 1.00 10.00 O ATOM 911 CB ASP A 71 1.372 4.505 -12.648 1.00 10.00 C ATOM 912 CG ASP A 71 0.754 4.370 -14.024 1.00 10.00 C ATOM 913 OD1 ASP A 71 1.385 4.797 -15.015 1.00 10.00 O ATOM 914 OD2 ASP A 71 -0.375 3.845 -14.122 1.00 10.00 O ATOM 0 H ASP A 71 2.451 2.154 -12.302 1.00 10.00 H new ATOM 0 HA ASP A 71 3.373 4.700 -13.437 1.00 10.00 H new ATOM 0 HB2 ASP A 71 0.852 3.840 -11.958 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.219 5.522 -12.287 1.00 10.00 H new ATOM 919 N THR A 72 3.726 5.965 -11.240 1.00 10.00 N ATOM 920 CA THR A 72 4.263 6.597 -10.047 1.00 10.00 C ATOM 921 C THR A 72 3.432 7.838 -9.719 1.00 10.00 C ATOM 922 O THR A 72 2.731 8.356 -10.591 1.00 10.00 O ATOM 923 CB THR A 72 5.742 6.998 -10.240 1.00 10.00 C ATOM 924 OG1 THR A 72 5.981 7.347 -11.608 1.00 10.00 O ATOM 925 CG2 THR A 72 6.672 5.865 -9.831 1.00 10.00 C ATOM 0 H THR A 72 3.578 6.607 -12.019 1.00 10.00 H new ATOM 0 HA THR A 72 4.213 5.882 -9.225 1.00 10.00 H new ATOM 0 HB THR A 72 5.945 7.859 -9.604 1.00 10.00 H new ATOM 0 HG1 THR A 72 6.921 7.602 -11.721 1.00 10.00 H new ATOM 0 HG21 THR A 72 7.707 6.173 -9.977 1.00 10.00 H new ATOM 0 HG22 THR A 72 6.510 5.622 -8.781 1.00 10.00 H new ATOM 0 HG23 THR A 72 6.466 4.986 -10.442 1.00 10.00 H new ATOM 933 N PRO A 73 3.480 8.327 -8.467 1.00 10.00 N ATOM 934 CA PRO A 73 2.720 9.515 -8.056 1.00 10.00 C ATOM 935 C PRO A 73 3.021 10.721 -8.941 1.00 10.00 C ATOM 936 O PRO A 73 2.113 11.425 -9.387 1.00 10.00 O ATOM 937 CB PRO A 73 3.195 9.773 -6.622 1.00 10.00 C ATOM 938 CG PRO A 73 3.703 8.459 -6.146 1.00 10.00 C ATOM 939 CD PRO A 73 4.265 7.765 -7.353 1.00 10.00 C ATOM 0 HA PRO A 73 1.644 9.358 -8.136 1.00 10.00 H new ATOM 0 HB2 PRO A 73 3.977 10.532 -6.595 1.00 10.00 H new ATOM 0 HB3 PRO A 73 2.380 10.133 -5.994 1.00 10.00 H new ATOM 0 HG2 PRO A 73 4.469 8.591 -5.381 1.00 10.00 H new ATOM 0 HG3 PRO A 73 2.902 7.872 -5.697 1.00 10.00 H new ATOM 0 HD2 PRO A 73 5.330 7.964 -7.471 1.00 10.00 H new ATOM 0 HD3 PRO A 73 4.149 6.683 -7.285 1.00 10.00 H new ATOM 947 N ALA A 74 4.301 10.935 -9.217 1.00 10.00 N ATOM 948 CA ALA A 74 4.730 12.053 -10.045 1.00 10.00 C ATOM 949 C ALA A 74 4.290 11.876 -11.495 1.00 10.00 C ATOM 950 O ALA A 74 3.982 12.850 -12.180 1.00 10.00 O ATOM 951 CB ALA A 74 6.240 12.219 -9.970 1.00 10.00 C ATOM 0 H ALA A 74 5.062 10.346 -8.878 1.00 10.00 H new ATOM 0 HA ALA A 74 4.254 12.954 -9.658 1.00 10.00 H new ATOM 0 HB1 ALA A 74 6.545 13.059 -10.594 1.00 10.00 H new ATOM 0 HB2 ALA A 74 6.534 12.408 -8.938 1.00 10.00 H new ATOM 0 HB3 ALA A 74 6.724 11.309 -10.324 1.00 10.00 H new ATOM 957 N GLN A 75 4.240 10.629 -11.951 1.00 10.00 N ATOM 958 CA GLN A 75 3.851 10.326 -13.325 1.00 10.00 C ATOM 959 C GLN A 75 2.377 10.632 -13.574 1.00 10.00 C ATOM 960 O GLN A 75 1.996 11.038 -14.672 1.00 10.00 O ATOM 961 CB GLN A 75 4.137 8.858 -13.645 1.00 10.00 C ATOM 962 CG GLN A 75 4.356 8.580 -15.125 1.00 10.00 C ATOM 963 CD GLN A 75 5.439 9.454 -15.730 1.00 10.00 C ATOM 964 OE1 GLN A 75 6.333 9.933 -15.030 1.00 10.00 O ATOM 965 NE2 GLN A 75 5.367 9.669 -17.031 1.00 10.00 N ATOM 0 H GLN A 75 4.465 9.809 -11.388 1.00 10.00 H new ATOM 0 HA GLN A 75 4.443 10.963 -13.982 1.00 10.00 H new ATOM 0 HB2 GLN A 75 5.021 8.541 -13.091 1.00 10.00 H new ATOM 0 HB3 GLN A 75 3.304 8.250 -13.291 1.00 10.00 H new ATOM 0 HG2 GLN A 75 4.624 7.532 -15.258 1.00 10.00 H new ATOM 0 HG3 GLN A 75 3.422 8.741 -15.663 1.00 10.00 H new ATOM 0 HE21 GLN A 75 4.611 9.254 -17.575 1.00 10.00 H new ATOM 0 HE22 GLN A 75 6.068 10.250 -17.491 1.00 10.00 H new ATOM 974 N LEU A 76 1.551 10.443 -12.556 1.00 10.00 N ATOM 975 CA LEU A 76 0.121 10.695 -12.685 1.00 10.00 C ATOM 976 C LEU A 76 -0.244 12.093 -12.200 1.00 10.00 C ATOM 977 O LEU A 76 -1.426 12.444 -12.140 1.00 10.00 O ATOM 978 CB LEU A 76 -0.680 9.646 -11.910 1.00 10.00 C ATOM 979 CG LEU A 76 -0.702 8.249 -12.537 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.378 7.258 -11.603 1.00 10.00 C ATOM 981 CD2 LEU A 76 -1.412 8.274 -13.883 1.00 10.00 C ATOM 0 H LEU A 76 1.843 10.117 -11.635 1.00 10.00 H new ATOM 0 HA LEU A 76 -0.132 10.627 -13.743 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -0.269 9.569 -10.903 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -1.707 9.998 -11.809 1.00 10.00 H new ATOM 0 HG LEU A 76 0.328 7.931 -12.697 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -1.385 6.270 -12.064 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -0.831 7.215 -10.661 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.403 7.577 -11.414 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -1.416 7.271 -14.311 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -2.438 8.615 -13.747 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.891 8.954 -14.557 1.00 10.00 H new ATOM 993 N GLU A 77 0.779 12.886 -11.867 1.00 10.00 N ATOM 994 CA GLU A 77 0.587 14.257 -11.386 1.00 10.00 C ATOM 995 C GLU A 77 -0.216 14.267 -10.089 1.00 10.00 C ATOM 996 O GLU A 77 -1.033 15.161 -9.854 1.00 10.00 O ATOM 997 CB GLU A 77 -0.114 15.104 -12.451 1.00 10.00 C ATOM 998 CG GLU A 77 0.672 15.228 -13.745 1.00 10.00 C ATOM 999 CD GLU A 77 1.760 16.278 -13.666 1.00 10.00 C ATOM 1000 OE1 GLU A 77 1.494 17.440 -14.040 1.00 10.00 O ATOM 1001 OE2 GLU A 77 2.882 15.946 -13.235 1.00 10.00 O ATOM 0 H GLU A 77 1.756 12.598 -11.923 1.00 10.00 H new ATOM 0 HA GLU A 77 1.568 14.689 -11.186 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -1.088 14.666 -12.668 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -0.295 16.101 -12.049 1.00 10.00 H new ATOM 0 HG2 GLU A 77 1.119 14.264 -13.988 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -0.010 15.477 -14.558 1.00 10.00 H new ATOM 1008 N MET A 78 0.031 13.266 -9.254 1.00 10.00 N ATOM 1009 CA MET A 78 -0.656 13.134 -7.977 1.00 10.00 C ATOM 1010 C MET A 78 -0.069 14.101 -6.964 1.00 10.00 C ATOM 1011 O MET A 78 1.144 14.326 -6.937 1.00 10.00 O ATOM 1012 CB MET A 78 -0.546 11.698 -7.461 1.00 10.00 C ATOM 1013 CG MET A 78 -1.175 10.673 -8.391 1.00 10.00 C ATOM 1014 SD MET A 78 -0.759 8.972 -7.956 1.00 10.00 S ATOM 1015 CE MET A 78 -1.467 8.866 -6.316 1.00 10.00 C ATOM 0 H MET A 78 0.709 12.527 -9.442 1.00 10.00 H new ATOM 0 HA MET A 78 -1.710 13.373 -8.121 1.00 10.00 H new ATOM 0 HB2 MET A 78 0.506 11.451 -7.318 1.00 10.00 H new ATOM 0 HB3 MET A 78 -1.025 11.633 -6.484 1.00 10.00 H new ATOM 0 HG2 MET A 78 -2.258 10.792 -8.373 1.00 10.00 H new ATOM 0 HG3 MET A 78 -0.850 10.870 -9.412 1.00 10.00 H new ATOM 0 HE1 MET A 78 -1.340 7.855 -5.930 1.00 10.00 H new ATOM 0 HE2 MET A 78 -0.964 9.573 -5.656 1.00 10.00 H new ATOM 0 HE3 MET A 78 -2.529 9.106 -6.362 1.00 10.00 H new ATOM 1025 N GLU A 79 -0.928 14.668 -6.137 1.00 10.00 N ATOM 1026 CA GLU A 79 -0.499 15.622 -5.130 1.00 10.00 C ATOM 1027 C GLU A 79 -0.906 15.159 -3.739 1.00 10.00 C ATOM 1028 O GLU A 79 -1.577 14.136 -3.586 1.00 10.00 O ATOM 1029 CB GLU A 79 -1.093 17.003 -5.415 1.00 10.00 C ATOM 1030 CG GLU A 79 -0.592 17.623 -6.708 1.00 10.00 C ATOM 1031 CD GLU A 79 0.793 18.221 -6.570 1.00 10.00 C ATOM 1032 OE1 GLU A 79 0.964 19.412 -6.910 1.00 10.00 O ATOM 1033 OE2 GLU A 79 1.721 17.515 -6.119 1.00 10.00 O ATOM 0 H GLU A 79 -1.931 14.484 -6.143 1.00 10.00 H new ATOM 0 HA GLU A 79 0.588 15.689 -5.169 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -2.179 16.921 -5.458 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -0.856 17.670 -4.586 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -0.579 16.863 -7.490 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -1.288 18.398 -7.028 1.00 10.00 H new ATOM 1040 N ASP A 80 -0.486 15.910 -2.733 1.00 10.00 N ATOM 1041 CA ASP A 80 -0.802 15.594 -1.348 1.00 10.00 C ATOM 1042 C ASP A 80 -2.311 15.627 -1.127 1.00 10.00 C ATOM 1043 O ASP A 80 -2.998 16.511 -1.647 1.00 10.00 O ATOM 1044 CB ASP A 80 -0.107 16.582 -0.407 1.00 10.00 C ATOM 1045 CG ASP A 80 -0.003 16.069 1.020 1.00 10.00 C ATOM 1046 OD1 ASP A 80 0.829 15.171 1.280 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -0.732 16.583 1.896 1.00 10.00 O ATOM 0 H ASP A 80 0.080 16.750 -2.851 1.00 10.00 H new ATOM 0 HA ASP A 80 -0.440 14.589 -1.129 1.00 10.00 H new ATOM 0 HB2 ASP A 80 0.893 16.793 -0.785 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -0.655 17.524 -0.410 1.00 10.00 H new ATOM 1052 N GLU A 81 -2.807 14.635 -0.387 1.00 10.00 N ATOM 1053 CA GLU A 81 -4.230 14.502 -0.064 1.00 10.00 C ATOM 1054 C GLU A 81 -5.040 13.986 -1.253 1.00 10.00 C ATOM 1055 O GLU A 81 -6.272 14.077 -1.256 1.00 10.00 O ATOM 1056 CB GLU A 81 -4.813 15.824 0.450 1.00 10.00 C ATOM 1057 CG GLU A 81 -4.378 16.168 1.865 1.00 10.00 C ATOM 1058 CD GLU A 81 -5.112 15.362 2.919 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -5.517 15.947 3.942 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -5.291 14.141 2.728 1.00 10.00 O ATOM 0 H GLU A 81 -2.228 13.894 0.009 1.00 10.00 H new ATOM 0 HA GLU A 81 -4.303 13.762 0.733 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.513 16.629 -0.220 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -5.901 15.770 0.416 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -3.306 15.995 1.963 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -4.547 17.230 2.044 1.00 10.00 H new ATOM 1067 N ASP A 82 -4.353 13.446 -2.257 1.00 10.00 N ATOM 1068 CA ASP A 82 -5.030 12.896 -3.430 1.00 10.00 C ATOM 1069 C ASP A 82 -5.795 11.643 -3.019 1.00 10.00 C ATOM 1070 O ASP A 82 -5.302 10.840 -2.222 1.00 10.00 O ATOM 1071 CB ASP A 82 -4.034 12.560 -4.543 1.00 10.00 C ATOM 1072 CG ASP A 82 -4.439 13.153 -5.879 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -5.615 12.996 -6.274 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -3.580 13.779 -6.543 1.00 10.00 O ATOM 0 H ASP A 82 -3.336 13.377 -2.283 1.00 10.00 H new ATOM 0 HA ASP A 82 -5.719 13.645 -3.819 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -3.047 12.931 -4.268 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -3.952 11.477 -4.639 1.00 10.00 H new ATOM 1079 N THR A 83 -6.987 11.467 -3.563 1.00 10.00 N ATOM 1080 CA THR A 83 -7.815 10.328 -3.199 1.00 10.00 C ATOM 1081 C THR A 83 -7.832 9.243 -4.277 1.00 10.00 C ATOM 1082 O THR A 83 -8.066 9.517 -5.456 1.00 10.00 O ATOM 1083 CB THR A 83 -9.257 10.776 -2.913 1.00 10.00 C ATOM 1084 OG1 THR A 83 -9.241 12.050 -2.252 1.00 10.00 O ATOM 1085 CG2 THR A 83 -9.973 9.753 -2.044 1.00 10.00 C ATOM 0 H THR A 83 -7.402 12.093 -4.254 1.00 10.00 H new ATOM 0 HA THR A 83 -7.371 9.901 -2.300 1.00 10.00 H new ATOM 0 HB THR A 83 -9.792 10.861 -3.859 1.00 10.00 H new ATOM 0 HG1 THR A 83 -10.161 12.336 -2.071 1.00 10.00 H new ATOM 0 HG21 THR A 83 -10.992 10.088 -1.853 1.00 10.00 H new ATOM 0 HG22 THR A 83 -9.997 8.792 -2.558 1.00 10.00 H new ATOM 0 HG23 THR A 83 -9.443 9.645 -1.098 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.579 8.012 -3.853 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.590 6.863 -4.748 1.00 10.00 C ATOM 1095 C ILE A 84 -8.768 5.962 -4.393 1.00 10.00 C ATOM 1096 O ILE A 84 -8.931 5.581 -3.230 1.00 10.00 O ATOM 1097 CB ILE A 84 -6.274 6.054 -4.654 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.071 6.952 -4.956 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -6.305 4.870 -5.615 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -3.740 6.297 -4.662 1.00 10.00 C ATOM 0 H ILE A 84 -7.361 7.782 -2.883 1.00 10.00 H new ATOM 0 HA ILE A 84 -7.686 7.229 -5.770 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.177 5.673 -3.637 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.100 7.243 -6.006 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -5.154 7.867 -4.369 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -5.372 4.312 -5.536 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -7.140 4.217 -5.361 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -6.425 5.233 -6.636 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -2.933 6.990 -4.899 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -3.691 6.031 -3.606 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.635 5.397 -5.268 1.00 10.00 H new ATOM 1112 N ASP A 85 -9.585 5.630 -5.384 1.00 10.00 N ATOM 1113 CA ASP A 85 -10.761 4.795 -5.156 1.00 10.00 C ATOM 1114 C ASP A 85 -10.453 3.325 -5.417 1.00 10.00 C ATOM 1115 O ASP A 85 -9.812 2.979 -6.412 1.00 10.00 O ATOM 1116 CB ASP A 85 -11.916 5.231 -6.056 1.00 10.00 C ATOM 1117 CG ASP A 85 -12.522 6.556 -5.642 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -13.289 6.588 -4.659 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -12.250 7.574 -6.319 1.00 10.00 O ATOM 0 H ASP A 85 -9.457 5.924 -6.352 1.00 10.00 H new ATOM 0 HA ASP A 85 -11.048 4.917 -4.111 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -11.560 5.306 -7.084 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -12.690 4.464 -6.042 1.00 10.00 H new ATOM 1124 N VAL A 86 -10.907 2.463 -4.516 1.00 10.00 N ATOM 1125 CA VAL A 86 -10.696 1.030 -4.653 1.00 10.00 C ATOM 1126 C VAL A 86 -12.025 0.330 -4.905 1.00 10.00 C ATOM 1127 O VAL A 86 -12.993 0.548 -4.178 1.00 10.00 O ATOM 1128 CB VAL A 86 -10.041 0.426 -3.395 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -9.574 -0.996 -3.667 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -8.880 1.289 -2.918 1.00 10.00 C ATOM 0 H VAL A 86 -11.425 2.734 -3.680 1.00 10.00 H new ATOM 0 HA VAL A 86 -10.024 0.879 -5.498 1.00 10.00 H new ATOM 0 HB VAL A 86 -10.789 0.399 -2.603 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -9.114 -1.406 -2.768 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -10.428 -1.611 -3.951 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -8.845 -0.991 -4.477 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -8.435 0.841 -2.029 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -8.129 1.356 -3.705 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -9.244 2.288 -2.677 1.00 10.00 H new ATOM 1140 N PHE A 87 -12.074 -0.492 -5.941 1.00 10.00 N ATOM 1141 CA PHE A 87 -13.291 -1.214 -6.284 1.00 10.00 C ATOM 1142 C PHE A 87 -13.035 -2.716 -6.304 1.00 10.00 C ATOM 1143 O PHE A 87 -11.893 -3.157 -6.436 1.00 10.00 O ATOM 1144 CB PHE A 87 -13.818 -0.760 -7.647 1.00 10.00 C ATOM 1145 CG PHE A 87 -14.162 0.698 -7.710 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -15.339 1.171 -7.153 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -13.308 1.595 -8.326 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -15.657 2.513 -7.213 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -13.620 2.938 -8.389 1.00 10.00 C ATOM 1150 CZ PHE A 87 -14.796 3.399 -7.830 1.00 10.00 C ATOM 0 H PHE A 87 -11.285 -0.677 -6.560 1.00 10.00 H new ATOM 0 HA PHE A 87 -14.041 -0.994 -5.524 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -13.068 -0.980 -8.407 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -14.704 -1.344 -7.896 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -16.015 0.483 -6.667 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -12.386 1.240 -8.763 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -16.579 2.870 -6.778 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -12.946 3.628 -8.875 1.00 10.00 H new ATOM 0 HZ PHE A 87 -15.042 4.450 -7.875 1.00 10.00 H new ATOM 1160 N GLN A 88 -14.100 -3.493 -6.169 1.00 10.00 N ATOM 1161 CA GLN A 88 -14.000 -4.947 -6.178 1.00 10.00 C ATOM 1162 C GLN A 88 -14.206 -5.477 -7.594 1.00 10.00 C ATOM 1163 O GLN A 88 -14.888 -4.849 -8.404 1.00 10.00 O ATOM 1164 CB GLN A 88 -15.046 -5.564 -5.243 1.00 10.00 C ATOM 1165 CG GLN A 88 -14.979 -5.050 -3.813 1.00 10.00 C ATOM 1166 CD GLN A 88 -13.853 -5.680 -3.014 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -13.482 -6.832 -3.238 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -13.303 -4.927 -2.075 1.00 10.00 N ATOM 0 H GLN A 88 -15.049 -3.139 -6.051 1.00 10.00 H new ATOM 0 HA GLN A 88 -13.006 -5.225 -5.828 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -16.040 -5.364 -5.644 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -14.918 -6.646 -5.235 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -14.848 -3.968 -3.826 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -15.928 -5.250 -3.315 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -13.640 -3.977 -1.921 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -12.542 -5.297 -1.505 1.00 10.00 H new ATOM 1177 N GLN A 89 -13.608 -6.620 -7.895 1.00 10.00 N ATOM 1178 CA GLN A 89 -13.746 -7.224 -9.211 1.00 10.00 C ATOM 1179 C GLN A 89 -15.044 -8.020 -9.286 1.00 10.00 C ATOM 1180 O GLN A 89 -15.481 -8.599 -8.291 1.00 10.00 O ATOM 1181 CB GLN A 89 -12.543 -8.125 -9.516 1.00 10.00 C ATOM 1182 CG GLN A 89 -12.557 -8.722 -10.917 1.00 10.00 C ATOM 1183 CD GLN A 89 -12.747 -7.678 -12.004 1.00 10.00 C ATOM 1184 OE1 GLN A 89 -12.337 -6.528 -11.860 1.00 10.00 O ATOM 1185 NE2 GLN A 89 -13.381 -8.073 -13.095 1.00 10.00 N ATOM 0 H GLN A 89 -13.023 -7.147 -7.246 1.00 10.00 H new ATOM 0 HA GLN A 89 -13.778 -6.432 -9.960 1.00 10.00 H new ATOM 0 HB2 GLN A 89 -11.628 -7.548 -9.387 1.00 10.00 H new ATOM 0 HB3 GLN A 89 -12.514 -8.935 -8.787 1.00 10.00 H new ATOM 0 HG2 GLN A 89 -11.620 -9.252 -11.090 1.00 10.00 H new ATOM 0 HG3 GLN A 89 -13.357 -9.459 -10.984 1.00 10.00 H new ATOM 0 HE21 GLN A 89 -13.706 -9.037 -13.176 1.00 10.00 H new ATOM 0 HE22 GLN A 89 -13.545 -7.414 -13.856 1.00 10.00 H new ATOM 1194 N GLN A 90 -15.666 -8.022 -10.458 1.00 10.00 N ATOM 1195 CA GLN A 90 -16.913 -8.745 -10.660 1.00 10.00 C ATOM 1196 C GLN A 90 -16.693 -10.249 -10.556 1.00 10.00 C ATOM 1197 O GLN A 90 -15.694 -10.780 -11.048 1.00 10.00 O ATOM 1198 CB GLN A 90 -17.529 -8.405 -12.020 1.00 10.00 C ATOM 1199 CG GLN A 90 -18.195 -7.037 -12.070 1.00 10.00 C ATOM 1200 CD GLN A 90 -17.200 -5.905 -12.247 1.00 10.00 C ATOM 1201 OE1 GLN A 90 -16.155 -6.074 -12.876 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -17.514 -4.748 -11.687 1.00 10.00 N ATOM 0 H GLN A 90 -15.326 -7.530 -11.284 1.00 10.00 H new ATOM 0 HA GLN A 90 -17.603 -8.436 -9.875 1.00 10.00 H new ATOM 0 HB2 GLN A 90 -16.750 -8.447 -12.782 1.00 10.00 H new ATOM 0 HB3 GLN A 90 -18.266 -9.167 -12.275 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -18.912 -7.017 -12.891 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -18.759 -6.879 -11.151 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -18.390 -4.651 -11.174 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -16.880 -3.953 -11.768 1.00 10.00 H new ATOM 1211 N THR A 91 -17.627 -10.921 -9.907 1.00 10.00 N ATOM 1212 CA THR A 91 -17.556 -12.358 -9.732 1.00 10.00 C ATOM 1213 C THR A 91 -18.057 -13.078 -10.980 1.00 10.00 C ATOM 1214 O THR A 91 -17.517 -14.109 -11.376 1.00 10.00 O ATOM 1215 CB THR A 91 -18.398 -12.794 -8.519 1.00 10.00 C ATOM 1216 OG1 THR A 91 -18.563 -11.682 -7.625 1.00 10.00 O ATOM 1217 CG2 THR A 91 -17.733 -13.945 -7.783 1.00 10.00 C ATOM 0 H THR A 91 -18.451 -10.488 -9.489 1.00 10.00 H new ATOM 0 HA THR A 91 -16.513 -12.625 -9.562 1.00 10.00 H new ATOM 0 HB THR A 91 -19.372 -13.130 -8.876 1.00 10.00 H new ATOM 0 HG1 THR A 91 -19.100 -11.959 -6.854 1.00 10.00 H new ATOM 0 HG21 THR A 91 -18.347 -14.235 -6.930 1.00 10.00 H new ATOM 0 HG22 THR A 91 -17.625 -14.794 -8.458 1.00 10.00 H new ATOM 0 HG23 THR A 91 -16.749 -13.633 -7.432 1.00 10.00 H new ATOM 1225 N GLY A 92 -19.087 -12.517 -11.599 1.00 10.00 N ATOM 1226 CA GLY A 92 -19.653 -13.111 -12.797 1.00 10.00 C ATOM 1227 C GLY A 92 -21.153 -13.285 -12.695 1.00 10.00 C ATOM 1228 O GLY A 92 -21.759 -12.907 -11.686 1.00 10.00 O ATOM 0 H GLY A 92 -19.543 -11.658 -11.292 1.00 10.00 H new ATOM 0 HA2 GLY A 92 -19.419 -12.483 -13.657 1.00 10.00 H new ATOM 0 HA3 GLY A 92 -19.188 -14.081 -12.974 1.00 10.00 H new ATOM 1233 N ASP B 195 -13.996 6.042 14.576 1.00 10.00 N ATOM 1234 CA ASP B 195 -14.158 5.524 13.226 1.00 10.00 C ATOM 1235 C ASP B 195 -12.964 4.653 12.871 1.00 10.00 C ATOM 1236 O ASP B 195 -12.333 4.083 13.768 1.00 10.00 O ATOM 1237 CB ASP B 195 -14.286 6.671 12.225 1.00 10.00 C ATOM 1238 CG ASP B 195 -15.230 6.322 11.093 1.00 10.00 C ATOM 1239 OD1 ASP B 195 -16.403 6.759 11.126 1.00 10.00 O ATOM 1240 OD2 ASP B 195 -14.806 5.597 10.172 1.00 10.00 O ATOM 0 HA ASP B 195 -15.068 4.926 13.182 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -14.646 7.563 12.737 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -13.303 6.911 11.819 1.00 10.00 H new ATOM 1245 N THR B 196 -12.636 4.541 11.592 1.00 10.00 N ATOM 1246 CA THR B 196 -11.496 3.733 11.211 1.00 10.00 C ATOM 1247 C THR B 196 -10.433 4.574 10.517 1.00 10.00 C ATOM 1248 O THR B 196 -10.691 5.193 9.486 1.00 10.00 O ATOM 1249 CB THR B 196 -11.920 2.597 10.263 1.00 10.00 C ATOM 1250 OG1 THR B 196 -13.158 2.028 10.706 1.00 10.00 O ATOM 1251 CG2 THR B 196 -10.849 1.518 10.192 1.00 10.00 C ATOM 0 H THR B 196 -13.131 4.988 10.821 1.00 10.00 H new ATOM 0 HA THR B 196 -11.083 3.311 12.127 1.00 10.00 H new ATOM 0 HB THR B 196 -12.051 3.015 9.265 1.00 10.00 H new ATOM 0 HG1 THR B 196 -13.423 1.307 10.097 1.00 10.00 H new ATOM 0 HG21 THR B 196 -11.173 0.727 9.516 1.00 10.00 H new ATOM 0 HG22 THR B 196 -9.919 1.952 9.824 1.00 10.00 H new ATOM 0 HG23 THR B 196 -10.686 1.101 11.186 1.00 10.00 H new ATOM 1259 N ALA B 197 -9.240 4.588 11.087 1.00 10.00 N ATOM 1260 CA ALA B 197 -8.128 5.313 10.506 1.00 10.00 C ATOM 1261 C ALA B 197 -6.948 4.375 10.321 1.00 10.00 C ATOM 1262 O ALA B 197 -6.502 3.746 11.274 1.00 10.00 O ATOM 1263 CB ALA B 197 -7.744 6.489 11.389 1.00 10.00 C ATOM 0 H ALA B 197 -9.018 4.102 11.956 1.00 10.00 H new ATOM 0 HA ALA B 197 -8.425 5.703 9.532 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -6.907 7.024 10.939 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -8.595 7.163 11.487 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -7.454 6.125 12.375 1.00 10.00 H new ATOM 1269 N GLY B 198 -6.438 4.296 9.110 1.00 10.00 N ATOM 1270 CA GLY B 198 -5.309 3.434 8.838 1.00 10.00 C ATOM 1271 C GLY B 198 -4.147 4.193 8.244 1.00 10.00 C ATOM 1272 O GLY B 198 -4.346 4.987 7.339 1.00 10.00 O ATOM 0 H GLY B 198 -6.785 4.815 8.303 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -4.992 2.950 9.762 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -5.614 2.643 8.152 1.00 10.00 H new ATOM 1276 N CYS B 199 -2.949 3.988 8.755 1.00 10.00 N ATOM 1277 CA CYS B 199 -1.794 4.673 8.197 1.00 10.00 C ATOM 1278 C CYS B 199 -0.796 3.650 7.670 1.00 10.00 C ATOM 1279 O CYS B 199 -0.359 2.755 8.395 1.00 10.00 O ATOM 1280 CB CYS B 199 -1.123 5.557 9.256 1.00 10.00 C ATOM 1281 SG CYS B 199 -2.262 6.599 10.193 1.00 10.00 S ATOM 0 H CYS B 199 -2.749 3.367 9.539 1.00 10.00 H new ATOM 0 HA CYS B 199 -2.129 5.310 7.378 1.00 10.00 H new ATOM 0 HB2 CYS B 199 -0.579 4.919 9.952 1.00 10.00 H new ATOM 0 HB3 CYS B 199 -0.387 6.194 8.766 1.00 10.00 H new ATOM 0 HG CYS B 199 -1.594 7.301 11.060 1.00 10.00 H new ATOM 1287 N ILE B 200 -0.461 3.772 6.391 1.00 10.00 N ATOM 1288 CA ILE B 200 0.495 2.873 5.758 1.00 10.00 C ATOM 1289 C ILE B 200 1.616 3.663 5.084 1.00 10.00 C ATOM 1290 O ILE B 200 1.360 4.612 4.344 1.00 10.00 O ATOM 1291 CB ILE B 200 -0.182 1.938 4.723 1.00 10.00 C ATOM 1292 CG1 ILE B 200 -1.379 1.219 5.355 1.00 10.00 C ATOM 1293 CG2 ILE B 200 0.817 0.919 4.192 1.00 10.00 C ATOM 1294 CD1 ILE B 200 -2.068 0.236 4.432 1.00 10.00 C ATOM 0 H ILE B 200 -0.839 4.488 5.770 1.00 10.00 H new ATOM 0 HA ILE B 200 0.916 2.251 6.548 1.00 10.00 H new ATOM 0 HB ILE B 200 -0.537 2.547 3.891 1.00 10.00 H new ATOM 0 HG12 ILE B 200 -1.042 0.689 6.246 1.00 10.00 H new ATOM 0 HG13 ILE B 200 -2.105 1.963 5.682 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.325 0.271 3.467 1.00 10.00 H new ATOM 0 HG22 ILE B 200 1.646 1.438 3.711 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.196 0.317 5.018 1.00 10.00 H new ATOM 0 HD11 ILE B 200 -2.903 -0.230 4.955 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -2.438 0.762 3.552 1.00 10.00 H new ATOM 0 HD13 ILE B 200 -1.359 -0.532 4.124 1.00 10.00 H new ATOM 1306 N VAL B 201 2.851 3.286 5.346 1.00 10.00 N ATOM 1307 CA VAL B 201 3.994 3.946 4.740 1.00 10.00 C ATOM 1308 C VAL B 201 4.825 2.927 3.960 1.00 10.00 C ATOM 1309 O VAL B 201 5.135 1.851 4.473 1.00 10.00 O ATOM 1310 CB VAL B 201 4.864 4.665 5.804 1.00 10.00 C ATOM 1311 CG1 VAL B 201 5.224 3.726 6.939 1.00 10.00 C ATOM 1312 CG2 VAL B 201 6.119 5.244 5.177 1.00 10.00 C ATOM 0 H VAL B 201 3.091 2.522 5.978 1.00 10.00 H new ATOM 0 HA VAL B 201 3.626 4.708 4.053 1.00 10.00 H new ATOM 0 HB VAL B 201 4.275 5.485 6.214 1.00 10.00 H new ATOM 0 HG11 VAL B 201 5.834 4.256 7.670 1.00 10.00 H new ATOM 0 HG12 VAL B 201 4.313 3.368 7.418 1.00 10.00 H new ATOM 0 HG13 VAL B 201 5.784 2.878 6.546 1.00 10.00 H new ATOM 0 HG21 VAL B 201 6.712 5.743 5.944 1.00 10.00 H new ATOM 0 HG22 VAL B 201 6.706 4.442 4.729 1.00 10.00 H new ATOM 0 HG23 VAL B 201 5.842 5.964 4.407 1.00 10.00 H new ATOM 1322 N ILE B 202 5.154 3.234 2.718 1.00 10.00 N ATOM 1323 CA ILE B 202 5.939 2.319 1.903 1.00 10.00 C ATOM 1324 C ILE B 202 7.234 2.993 1.483 1.00 10.00 C ATOM 1325 O ILE B 202 7.243 4.155 1.070 1.00 10.00 O ATOM 1326 CB ILE B 202 5.171 1.790 0.658 1.00 10.00 C ATOM 1327 CG1 ILE B 202 5.072 2.861 -0.432 1.00 10.00 C ATOM 1328 CG2 ILE B 202 3.786 1.291 1.060 1.00 10.00 C ATOM 1329 CD1 ILE B 202 4.257 2.439 -1.632 1.00 10.00 C ATOM 0 H ILE B 202 4.893 4.103 2.252 1.00 10.00 H new ATOM 0 HA ILE B 202 6.154 1.446 2.519 1.00 10.00 H new ATOM 0 HB ILE B 202 5.733 0.953 0.244 1.00 10.00 H new ATOM 0 HG12 ILE B 202 4.631 3.761 -0.004 1.00 10.00 H new ATOM 0 HG13 ILE B 202 6.077 3.124 -0.762 1.00 10.00 H new ATOM 0 HG21 ILE B 202 3.261 0.924 0.178 1.00 10.00 H new ATOM 0 HG22 ILE B 202 3.887 0.483 1.785 1.00 10.00 H new ATOM 0 HG23 ILE B 202 3.220 2.109 1.505 1.00 10.00 H new ATOM 0 HD11 ILE B 202 4.234 3.250 -2.359 1.00 10.00 H new ATOM 0 HD12 ILE B 202 4.708 1.557 -2.087 1.00 10.00 H new ATOM 0 HD13 ILE B 202 3.240 2.205 -1.317 1.00 10.00 H new