USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 785 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 90 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 51 SER OG : rot 74:sc= 1.07 USER MOD Set 2.3: A 79 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 24 MET CE :methyl -155:sc= -0.678 (180deg=-0.522) USER MOD Set 3.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: A 66 GLN : amide:sc= -3.2 K(o=-3.6,f=-7.7!) USER MOD Set 3.4: A 69 TYR OH : rot 92:sc= 0.237 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-0.93) USER MOD Single : A 23 SER OG : rot 168:sc= -0.619 USER MOD Single : A 29 GLN : amide:sc= 0.0265 X(o=0.026,f=-0.038) USER MOD Single : A 31 TYR OH : rot 130:sc= -1.94 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 176:sc= -1.75! USER MOD Single : A 42 HIS : no HE2:sc= -1.96 K(o=-2,f=-7!) USER MOD Single : A 45 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.2!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 170:sc= -2.21! USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 124:sc= 1.68 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 95 LYS NZ :NH3+ -142:sc= -0.34 (180deg=-1.59!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.032 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc=-0.00105 K(o=-0.0011,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -11.763 13.710 -5.487 1.00 0.00 N ATOM 2 CA ALA A 8 -10.704 13.630 -4.489 1.00 0.00 C ATOM 3 C ALA A 8 -10.194 12.200 -4.345 1.00 0.00 C ATOM 4 O ALA A 8 -10.624 11.302 -5.069 1.00 0.00 O ATOM 5 CB ALA A 8 -11.201 14.153 -3.149 1.00 0.00 C ATOM 0 HA ALA A 8 -9.874 14.252 -4.824 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.400 14.087 -2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.511 15.193 -3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.049 13.554 -2.817 1.00 0.00 H new ATOM 11 N ASP A 9 -9.276 11.996 -3.407 1.00 0.00 N ATOM 12 CA ASP A 9 -8.708 10.674 -3.169 1.00 0.00 C ATOM 13 C ASP A 9 -8.489 10.435 -1.679 1.00 0.00 C ATOM 14 O ASP A 9 -7.781 11.193 -1.016 1.00 0.00 O ATOM 15 CB ASP A 9 -7.385 10.521 -3.922 1.00 0.00 C ATOM 16 CG ASP A 9 -6.425 11.661 -3.643 1.00 0.00 C ATOM 17 OD1 ASP A 9 -5.868 11.709 -2.526 1.00 0.00 O ATOM 18 OD2 ASP A 9 -6.229 12.506 -4.542 1.00 0.00 O ATOM 0 H ASP A 9 -8.909 12.729 -2.799 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.416 9.931 -3.537 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.917 9.578 -3.640 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.583 10.471 -4.993 1.00 0.00 H new ATOM 23 N ARG A 10 -9.101 9.375 -1.159 1.00 0.00 N ATOM 24 CA ARG A 10 -8.973 9.034 0.253 1.00 0.00 C ATOM 25 C ARG A 10 -8.421 7.623 0.422 1.00 0.00 C ATOM 26 O ARG A 10 -8.280 6.881 -0.551 1.00 0.00 O ATOM 27 CB ARG A 10 -10.327 9.152 0.954 1.00 0.00 C ATOM 28 CG ARG A 10 -11.424 8.328 0.300 1.00 0.00 C ATOM 29 CD ARG A 10 -12.050 9.063 -0.875 1.00 0.00 C ATOM 30 NE ARG A 10 -13.358 9.619 -0.538 1.00 0.00 N ATOM 31 CZ ARG A 10 -14.478 8.900 -0.485 1.00 0.00 C ATOM 32 NH1 ARG A 10 -14.454 7.600 -0.752 1.00 0.00 N ATOM 33 NH2 ARG A 10 -15.625 9.484 -0.167 1.00 0.00 N ATOM 0 H ARG A 10 -9.690 8.738 -1.695 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.275 9.736 0.709 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.218 8.838 1.992 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.630 10.199 0.968 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.012 7.378 -0.042 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.193 8.095 1.036 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.386 9.866 -1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.153 8.379 -1.717 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.417 10.616 -0.331 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.575 7.146 -0.999 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.315 7.055 -0.710 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.649 10.483 0.037 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.483 8.934 -0.126 1.00 0.00 H new ATOM 47 N LYS A 11 -8.110 7.258 1.661 1.00 0.00 N ATOM 48 CA LYS A 11 -7.573 5.933 1.953 1.00 0.00 C ATOM 49 C LYS A 11 -7.824 5.552 3.407 1.00 0.00 C ATOM 50 O LYS A 11 -7.971 6.417 4.267 1.00 0.00 O ATOM 51 CB LYS A 11 -6.072 5.894 1.657 1.00 0.00 C ATOM 52 CG LYS A 11 -5.285 6.991 2.355 1.00 0.00 C ATOM 53 CD LYS A 11 -3.786 6.797 2.185 1.00 0.00 C ATOM 54 CE LYS A 11 -3.152 6.227 3.442 1.00 0.00 C ATOM 55 NZ LYS A 11 -1.837 5.589 3.161 1.00 0.00 N ATOM 0 H LYS A 11 -8.220 7.859 2.478 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.084 5.212 1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.676 4.925 1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.920 5.978 0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.575 7.961 1.952 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.534 7.000 3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.598 6.128 1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.320 7.752 1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.020 7.023 4.175 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.824 5.493 3.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.438 5.213 4.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.966 4.813 2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.187 6.295 2.761 1.00 0.00 H new ATOM 69 N LEU A 12 -7.890 4.252 3.673 1.00 0.00 N ATOM 70 CA LEU A 12 -8.144 3.762 5.015 1.00 0.00 C ATOM 71 C LEU A 12 -6.878 3.593 5.814 1.00 0.00 C ATOM 72 O LEU A 12 -5.838 3.169 5.311 1.00 0.00 O ATOM 73 CB LEU A 12 -8.894 2.446 4.948 1.00 0.00 C ATOM 74 CG LEU A 12 -10.302 2.624 4.435 1.00 0.00 C ATOM 75 CD1 LEU A 12 -10.481 1.948 3.083 1.00 0.00 C ATOM 76 CD2 LEU A 12 -11.323 2.116 5.440 1.00 0.00 C ATOM 0 H LEU A 12 -7.770 3.520 2.973 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.750 4.510 5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.356 1.755 4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.924 1.995 5.940 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.473 3.692 4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.505 2.092 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.790 2.386 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.277 0.882 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.328 2.258 5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.153 1.056 5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.221 2.670 6.373 1.00 0.00 H new ATOM 88 N CYS A 13 -7.000 3.949 7.074 1.00 0.00 N ATOM 89 CA CYS A 13 -5.886 3.868 8.011 1.00 0.00 C ATOM 90 C CYS A 13 -6.303 3.183 9.306 1.00 0.00 C ATOM 91 O CYS A 13 -7.491 3.022 9.584 1.00 0.00 O ATOM 92 CB CYS A 13 -5.352 5.268 8.315 1.00 0.00 C ATOM 93 SG CYS A 13 -3.601 5.304 8.816 1.00 0.00 S ATOM 0 H CYS A 13 -7.866 4.301 7.482 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.100 3.272 7.547 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.479 5.893 7.431 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.955 5.711 9.108 1.00 0.00 H new ATOM 98 N ALA A 14 -5.313 2.785 10.095 1.00 0.00 N ATOM 99 CA ALA A 14 -5.563 2.119 11.367 1.00 0.00 C ATOM 100 C ALA A 14 -6.031 3.114 12.425 1.00 0.00 C ATOM 101 O ALA A 14 -5.386 3.290 13.460 1.00 0.00 O ATOM 102 CB ALA A 14 -4.309 1.389 11.832 1.00 0.00 C ATOM 0 H ALA A 14 -4.325 2.913 9.875 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.360 1.389 11.221 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.507 0.895 12.783 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.025 0.644 11.089 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.497 2.105 11.957 1.00 0.00 H new ATOM 108 N ASP A 15 -7.161 3.764 12.161 1.00 0.00 N ATOM 109 CA ASP A 15 -7.718 4.742 13.089 1.00 0.00 C ATOM 110 C ASP A 15 -6.785 5.939 13.246 1.00 0.00 C ATOM 111 O ASP A 15 -5.845 6.113 12.470 1.00 0.00 O ATOM 112 CB ASP A 15 -7.978 4.093 14.453 1.00 0.00 C ATOM 113 CG ASP A 15 -9.445 4.119 14.834 1.00 0.00 C ATOM 114 OD1 ASP A 15 -10.112 5.137 14.558 1.00 0.00 O ATOM 115 OD2 ASP A 15 -9.926 3.119 15.408 1.00 0.00 O ATOM 0 H ASP A 15 -7.709 3.631 11.311 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.664 5.097 12.680 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.628 3.061 14.434 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.398 4.612 15.216 1.00 0.00 H new ATOM 120 N GLN A 16 -7.052 6.762 14.255 1.00 0.00 N ATOM 121 CA GLN A 16 -6.240 7.945 14.517 1.00 0.00 C ATOM 122 C GLN A 16 -4.792 7.569 14.825 1.00 0.00 C ATOM 123 O GLN A 16 -3.894 8.406 14.740 1.00 0.00 O ATOM 124 CB GLN A 16 -6.829 8.744 15.681 1.00 0.00 C ATOM 125 CG GLN A 16 -6.750 10.250 15.489 1.00 0.00 C ATOM 126 CD GLN A 16 -7.985 10.969 15.996 1.00 0.00 C ATOM 127 OE1 GLN A 16 -8.422 10.754 17.126 1.00 0.00 O ATOM 128 NE2 GLN A 16 -8.555 11.827 15.160 1.00 0.00 N ATOM 0 H GLN A 16 -7.826 6.631 14.906 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.247 8.560 13.617 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.872 8.458 15.816 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.304 8.475 16.597 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.872 10.633 16.009 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.615 10.471 14.430 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.159 11.974 14.232 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.390 12.339 15.445 1.00 0.00 H new ATOM 137 N GLU A 17 -4.570 6.309 15.187 1.00 0.00 N ATOM 138 CA GLU A 17 -3.232 5.833 15.510 1.00 0.00 C ATOM 139 C GLU A 17 -2.359 5.770 14.260 1.00 0.00 C ATOM 140 O GLU A 17 -1.387 6.514 14.133 1.00 0.00 O ATOM 141 CB GLU A 17 -3.305 4.453 16.169 1.00 0.00 C ATOM 142 CG GLU A 17 -2.398 4.310 17.380 1.00 0.00 C ATOM 143 CD GLU A 17 -2.091 2.862 17.710 1.00 0.00 C ATOM 144 OE1 GLU A 17 -2.975 2.006 17.502 1.00 0.00 O ATOM 145 OE2 GLU A 17 -0.966 2.586 18.176 1.00 0.00 O ATOM 0 H GLU A 17 -5.300 5.601 15.264 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.781 6.538 16.209 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.334 4.257 16.471 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.039 3.694 15.434 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.465 4.843 17.196 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.870 4.783 18.241 1.00 0.00 H new ATOM 152 N CYS A 18 -2.710 4.876 13.342 1.00 0.00 N ATOM 153 CA CYS A 18 -1.957 4.718 12.103 1.00 0.00 C ATOM 154 C CYS A 18 -0.512 4.327 12.393 1.00 0.00 C ATOM 155 O CYS A 18 0.401 4.687 11.647 1.00 0.00 O ATOM 156 CB CYS A 18 -1.993 6.012 11.290 1.00 0.00 C ATOM 157 SG CYS A 18 -3.613 6.375 10.540 1.00 0.00 S ATOM 0 H CYS A 18 -3.510 4.250 13.432 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.422 3.921 11.523 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.710 6.843 11.937 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.244 5.953 10.500 1.00 0.00 H new ATOM 162 N SER A 19 -0.310 3.591 13.480 1.00 0.00 N ATOM 163 CA SER A 19 1.025 3.152 13.870 1.00 0.00 C ATOM 164 C SER A 19 1.103 1.629 13.913 1.00 0.00 C ATOM 165 O SER A 19 1.832 1.058 14.725 1.00 0.00 O ATOM 166 CB SER A 19 1.397 3.735 15.234 1.00 0.00 C ATOM 167 OG SER A 19 2.775 4.059 15.291 1.00 0.00 O ATOM 0 H SER A 19 -1.054 3.286 14.107 1.00 0.00 H new ATOM 0 HA SER A 19 1.734 3.513 13.125 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.802 4.628 15.426 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.156 3.017 16.018 1.00 0.00 H new ATOM 0 HG SER A 19 2.987 4.431 16.172 1.00 0.00 H new ATOM 173 N HIS A 20 0.348 0.978 13.035 1.00 0.00 N ATOM 174 CA HIS A 20 0.331 -0.478 12.971 1.00 0.00 C ATOM 175 C HIS A 20 -0.069 -0.957 11.574 1.00 0.00 C ATOM 176 O HIS A 20 -1.063 -0.492 11.016 1.00 0.00 O ATOM 177 CB HIS A 20 -0.637 -1.044 14.012 1.00 0.00 C ATOM 178 CG HIS A 20 -0.170 -0.865 15.423 1.00 0.00 C ATOM 179 ND1 HIS A 20 0.638 -1.777 16.071 1.00 0.00 N ATOM 180 CD2 HIS A 20 -0.402 0.127 16.314 1.00 0.00 C ATOM 181 CE1 HIS A 20 0.882 -1.352 17.298 1.00 0.00 C ATOM 182 NE2 HIS A 20 0.263 -0.199 17.470 1.00 0.00 N ATOM 0 H HIS A 20 -0.261 1.437 12.357 1.00 0.00 H new ATOM 0 HA HIS A 20 1.337 -0.838 13.186 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.607 -0.561 13.895 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.785 -2.107 13.819 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.999 1.011 16.147 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.485 -1.861 18.035 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.277 0.359 18.323 1.00 0.00 H new ATOM 191 N PRO A 21 0.699 -1.896 10.990 1.00 0.00 N ATOM 192 CA PRO A 21 0.410 -2.428 9.653 1.00 0.00 C ATOM 193 C PRO A 21 -1.018 -2.950 9.534 1.00 0.00 C ATOM 194 O PRO A 21 -1.568 -3.503 10.487 1.00 0.00 O ATOM 195 CB PRO A 21 1.411 -3.576 9.498 1.00 0.00 C ATOM 196 CG PRO A 21 2.529 -3.232 10.419 1.00 0.00 C ATOM 197 CD PRO A 21 1.903 -2.511 11.581 1.00 0.00 C ATOM 0 HA PRO A 21 0.500 -1.661 8.884 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.960 -4.532 9.763 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.759 -3.662 8.468 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.050 -4.130 10.752 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.266 -2.602 9.920 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.649 -3.196 12.390 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.575 -1.761 11.998 1.00 0.00 H new ATOM 205 N ILE A 22 -1.611 -2.773 8.358 1.00 0.00 N ATOM 206 CA ILE A 22 -2.974 -3.228 8.115 1.00 0.00 C ATOM 207 C ILE A 22 -3.079 -4.738 8.258 1.00 0.00 C ATOM 208 O ILE A 22 -3.984 -5.256 8.910 1.00 0.00 O ATOM 209 CB ILE A 22 -3.466 -2.809 6.704 1.00 0.00 C ATOM 210 CG1 ILE A 22 -4.904 -2.296 6.778 1.00 0.00 C ATOM 211 CG2 ILE A 22 -3.361 -3.960 5.698 1.00 0.00 C ATOM 212 CD1 ILE A 22 -5.036 -0.975 7.506 1.00 0.00 C ATOM 0 H ILE A 22 -1.169 -2.318 7.559 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.608 -2.753 8.864 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.817 -2.007 6.352 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.295 -2.185 5.766 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.522 -3.041 7.279 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.715 -3.625 4.723 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.322 -4.278 5.617 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.971 -4.797 6.038 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.083 -0.671 7.521 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.676 -1.086 8.529 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.445 -0.216 6.993 1.00 0.00 H new ATOM 224 N SER A 23 -2.156 -5.437 7.616 1.00 0.00 N ATOM 225 CA SER A 23 -2.143 -6.887 7.632 1.00 0.00 C ATOM 226 C SER A 23 -0.951 -7.414 6.853 1.00 0.00 C ATOM 227 O SER A 23 -0.041 -6.666 6.495 1.00 0.00 O ATOM 228 CB SER A 23 -3.445 -7.424 7.027 1.00 0.00 C ATOM 229 OG SER A 23 -3.585 -7.020 5.676 1.00 0.00 O ATOM 0 H SER A 23 -1.401 -5.017 7.074 1.00 0.00 H new ATOM 0 HA SER A 23 -2.061 -7.227 8.664 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.456 -8.512 7.087 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.295 -7.064 7.607 1.00 0.00 H new ATOM 0 HG SER A 23 -4.309 -7.529 5.256 1.00 0.00 H new ATOM 235 N MET A 24 -0.970 -8.707 6.597 1.00 0.00 N ATOM 236 CA MET A 24 0.103 -9.360 5.858 1.00 0.00 C ATOM 237 C MET A 24 -0.431 -10.007 4.587 1.00 0.00 C ATOM 238 O MET A 24 -1.519 -10.584 4.583 1.00 0.00 O ATOM 239 CB MET A 24 0.783 -10.412 6.731 1.00 0.00 C ATOM 240 CG MET A 24 2.249 -10.629 6.396 1.00 0.00 C ATOM 241 SD MET A 24 2.766 -12.341 6.627 1.00 0.00 S ATOM 242 CE MET A 24 4.168 -12.127 7.720 1.00 0.00 C ATOM 0 H MET A 24 -1.720 -9.333 6.890 1.00 0.00 H new ATOM 0 HA MET A 24 0.834 -8.601 5.580 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.699 -10.114 7.776 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.251 -11.358 6.625 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.429 -10.335 5.362 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.861 -9.981 7.023 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.847 -12.972 7.610 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.691 -11.205 7.465 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.820 -12.073 8.752 1.00 0.00 H new ATOM 252 N ALA A 25 0.338 -9.909 3.507 1.00 0.00 N ATOM 253 CA ALA A 25 -0.067 -10.487 2.234 1.00 0.00 C ATOM 254 C ALA A 25 1.133 -10.956 1.423 1.00 0.00 C ATOM 255 O ALA A 25 2.120 -10.236 1.276 1.00 0.00 O ATOM 256 CB ALA A 25 -0.891 -9.486 1.437 1.00 0.00 C ATOM 0 H ALA A 25 1.242 -9.436 3.489 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.682 -11.361 2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.187 -9.932 0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.782 -9.215 2.004 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.295 -8.593 1.248 1.00 0.00 H new ATOM 262 N VAL A 26 1.033 -12.169 0.893 1.00 0.00 N ATOM 263 CA VAL A 26 2.103 -12.744 0.089 1.00 0.00 C ATOM 264 C VAL A 26 1.958 -12.340 -1.373 1.00 0.00 C ATOM 265 O VAL A 26 0.884 -11.944 -1.813 1.00 0.00 O ATOM 266 CB VAL A 26 2.120 -14.282 0.187 1.00 0.00 C ATOM 267 CG1 VAL A 26 3.337 -14.851 -0.526 1.00 0.00 C ATOM 268 CG2 VAL A 26 2.090 -14.726 1.642 1.00 0.00 C ATOM 0 H VAL A 26 0.220 -12.774 1.006 1.00 0.00 H new ATOM 0 HA VAL A 26 3.042 -12.356 0.484 1.00 0.00 H new ATOM 0 HB VAL A 26 1.227 -14.667 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.331 -15.938 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.309 -14.565 -1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.244 -14.458 -0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.103 -15.815 1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.962 -14.330 2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.183 -14.352 2.118 1.00 0.00 H new ATOM 278 N ALA A 27 3.047 -12.439 -2.119 1.00 0.00 N ATOM 279 CA ALA A 27 3.043 -12.081 -3.530 1.00 0.00 C ATOM 280 C ALA A 27 2.385 -13.167 -4.373 1.00 0.00 C ATOM 281 O ALA A 27 2.690 -14.350 -4.227 1.00 0.00 O ATOM 282 CB ALA A 27 4.463 -11.837 -4.012 1.00 0.00 C ATOM 0 H ALA A 27 3.948 -12.765 -1.770 1.00 0.00 H new ATOM 0 HA ALA A 27 2.463 -11.165 -3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.448 -11.570 -5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.907 -11.023 -3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.054 -12.742 -3.875 1.00 0.00 H new ATOM 288 N LEU A 28 1.485 -12.756 -5.261 1.00 0.00 N ATOM 289 CA LEU A 28 0.793 -13.696 -6.132 1.00 0.00 C ATOM 290 C LEU A 28 1.509 -13.836 -7.477 1.00 0.00 C ATOM 291 O LEU A 28 1.003 -14.491 -8.384 1.00 0.00 O ATOM 292 CB LEU A 28 -0.656 -13.253 -6.352 1.00 0.00 C ATOM 293 CG LEU A 28 -1.662 -14.390 -6.551 1.00 0.00 C ATOM 294 CD1 LEU A 28 -3.060 -13.942 -6.157 1.00 0.00 C ATOM 295 CD2 LEU A 28 -1.644 -14.872 -7.993 1.00 0.00 C ATOM 0 H LEU A 28 1.219 -11.780 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 28 0.797 -14.670 -5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.971 -12.657 -5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.691 -12.601 -7.225 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.373 -15.220 -5.907 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.761 -14.764 -6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.065 -13.646 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.358 -13.095 -6.775 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.365 -15.680 -8.116 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.907 -14.047 -8.656 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.647 -15.235 -8.243 1.00 0.00 H new ATOM 307 N GLN A 29 2.694 -13.226 -7.591 1.00 0.00 N ATOM 308 CA GLN A 29 3.494 -13.287 -8.809 1.00 0.00 C ATOM 309 C GLN A 29 4.631 -12.268 -8.794 1.00 0.00 C ATOM 310 O GLN A 29 4.635 -11.332 -7.994 1.00 0.00 O ATOM 311 CB GLN A 29 2.625 -13.076 -10.047 1.00 0.00 C ATOM 312 CG GLN A 29 2.276 -14.375 -10.735 1.00 0.00 C ATOM 313 CD GLN A 29 0.992 -14.292 -11.538 1.00 0.00 C ATOM 314 OE1 GLN A 29 0.965 -14.626 -12.722 1.00 0.00 O ATOM 315 NE2 GLN A 29 -0.079 -13.842 -10.895 1.00 0.00 N ATOM 0 H GLN A 29 3.120 -12.680 -6.842 1.00 0.00 H new ATOM 0 HA GLN A 29 3.933 -14.284 -8.849 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.707 -12.562 -9.760 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.148 -12.426 -10.748 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.094 -14.661 -11.396 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.180 -15.162 -9.987 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.010 -13.576 -9.913 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.971 -13.762 -11.383 1.00 0.00 H new ATOM 324 N ASP A 30 5.598 -12.469 -9.688 1.00 0.00 N ATOM 325 CA ASP A 30 6.755 -11.587 -9.793 1.00 0.00 C ATOM 326 C ASP A 30 6.587 -10.583 -10.928 1.00 0.00 C ATOM 327 O ASP A 30 6.390 -10.965 -12.082 1.00 0.00 O ATOM 328 CB ASP A 30 8.022 -12.412 -10.023 1.00 0.00 C ATOM 329 CG ASP A 30 9.287 -11.584 -9.907 1.00 0.00 C ATOM 330 OD1 ASP A 30 9.181 -10.342 -9.837 1.00 0.00 O ATOM 331 OD2 ASP A 30 10.385 -12.179 -9.889 1.00 0.00 O ATOM 0 H ASP A 30 5.601 -13.242 -10.354 1.00 0.00 H new ATOM 0 HA ASP A 30 6.840 -11.035 -8.857 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.057 -13.226 -9.299 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.980 -12.867 -11.012 1.00 0.00 H new ATOM 336 N TYR A 31 6.676 -9.299 -10.597 1.00 0.00 N ATOM 337 CA TYR A 31 6.543 -8.246 -11.598 1.00 0.00 C ATOM 338 C TYR A 31 7.117 -6.921 -11.095 1.00 0.00 C ATOM 339 O TYR A 31 6.766 -6.451 -10.011 1.00 0.00 O ATOM 340 CB TYR A 31 5.074 -8.072 -11.997 1.00 0.00 C ATOM 341 CG TYR A 31 4.247 -7.321 -10.979 1.00 0.00 C ATOM 342 CD1 TYR A 31 3.686 -7.976 -9.891 1.00 0.00 C ATOM 343 CD2 TYR A 31 4.030 -5.956 -11.108 1.00 0.00 C ATOM 344 CE1 TYR A 31 2.932 -7.290 -8.960 1.00 0.00 C ATOM 345 CE2 TYR A 31 3.277 -5.263 -10.180 1.00 0.00 C ATOM 346 CZ TYR A 31 2.731 -5.935 -9.108 1.00 0.00 C ATOM 347 OH TYR A 31 1.981 -5.249 -8.181 1.00 0.00 O ATOM 0 H TYR A 31 6.839 -8.963 -9.648 1.00 0.00 H new ATOM 0 HA TYR A 31 7.115 -8.546 -12.476 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.027 -7.544 -12.950 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.632 -9.056 -12.155 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.842 -9.038 -9.771 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.457 -5.427 -11.947 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.501 -7.813 -8.119 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.117 -4.201 -10.294 1.00 0.00 H new ATOM 0 HH TYR A 31 2.473 -4.455 -7.885 1.00 0.00 H new ATOM 357 N MET A 32 8.004 -6.329 -11.890 1.00 0.00 N ATOM 358 CA MET A 32 8.631 -5.076 -11.545 1.00 0.00 C ATOM 359 C MET A 32 7.612 -3.941 -11.507 1.00 0.00 C ATOM 360 O MET A 32 6.819 -3.778 -12.435 1.00 0.00 O ATOM 361 CB MET A 32 9.743 -4.745 -12.544 1.00 0.00 C ATOM 362 CG MET A 32 10.901 -3.971 -11.933 1.00 0.00 C ATOM 363 SD MET A 32 12.481 -4.825 -12.103 1.00 0.00 S ATOM 364 CE MET A 32 13.509 -3.860 -10.999 1.00 0.00 C ATOM 0 H MET A 32 8.302 -6.711 -12.788 1.00 0.00 H new ATOM 0 HA MET A 32 9.063 -5.181 -10.550 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.123 -5.673 -12.972 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.322 -4.164 -13.364 1.00 0.00 H new ATOM 0 HG2 MET A 32 10.969 -2.993 -12.409 1.00 0.00 H new ATOM 0 HG3 MET A 32 10.699 -3.798 -10.876 1.00 0.00 H new ATOM 0 HE1 MET A 32 14.520 -4.266 -10.996 1.00 0.00 H new ATOM 0 HE2 MET A 32 13.535 -2.824 -11.338 1.00 0.00 H new ATOM 0 HE3 MET A 32 13.098 -3.901 -9.990 1.00 0.00 H new ATOM 374 N ALA A 33 7.636 -3.162 -10.425 1.00 0.00 N ATOM 375 CA ALA A 33 6.722 -2.045 -10.247 1.00 0.00 C ATOM 376 C ALA A 33 6.484 -1.286 -11.554 1.00 0.00 C ATOM 377 O ALA A 33 7.311 -0.472 -11.966 1.00 0.00 O ATOM 378 CB ALA A 33 7.256 -1.100 -9.181 1.00 0.00 C ATOM 0 H ALA A 33 8.289 -3.291 -9.652 1.00 0.00 H new ATOM 0 HA ALA A 33 5.763 -2.451 -9.926 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.565 -0.267 -9.054 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.355 -1.635 -8.237 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.231 -0.720 -9.487 1.00 0.00 H new ATOM 384 N PRO A 34 5.348 -1.543 -12.227 1.00 0.00 N ATOM 385 CA PRO A 34 5.013 -0.881 -13.488 1.00 0.00 C ATOM 386 C PRO A 34 4.497 0.539 -13.281 1.00 0.00 C ATOM 387 O PRO A 34 3.378 0.868 -13.675 1.00 0.00 O ATOM 388 CB PRO A 34 3.914 -1.773 -14.062 1.00 0.00 C ATOM 389 CG PRO A 34 3.238 -2.348 -12.867 1.00 0.00 C ATOM 390 CD PRO A 34 4.304 -2.501 -11.812 1.00 0.00 C ATOM 0 HA PRO A 34 5.880 -0.771 -14.139 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.218 -1.200 -14.675 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.329 -2.555 -14.698 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.438 -1.694 -12.520 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.783 -3.310 -13.103 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.920 -2.269 -10.818 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.688 -3.521 -11.776 1.00 0.00 H new ATOM 398 N ASP A 35 5.320 1.378 -12.660 1.00 0.00 N ATOM 399 CA ASP A 35 4.944 2.762 -12.402 1.00 0.00 C ATOM 400 C ASP A 35 6.131 3.562 -11.872 1.00 0.00 C ATOM 401 O ASP A 35 6.434 3.522 -10.679 1.00 0.00 O ATOM 402 CB ASP A 35 3.785 2.820 -11.404 1.00 0.00 C ATOM 403 CG ASP A 35 2.692 3.774 -11.842 1.00 0.00 C ATOM 404 OD1 ASP A 35 2.975 4.983 -11.973 1.00 0.00 O ATOM 405 OD2 ASP A 35 1.551 3.312 -12.056 1.00 0.00 O ATOM 0 H ASP A 35 6.250 1.124 -12.327 1.00 0.00 H new ATOM 0 HA ASP A 35 4.625 3.207 -13.345 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.365 1.822 -11.281 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.163 3.128 -10.429 1.00 0.00 H new ATOM 410 N CYS A 36 6.795 4.288 -12.766 1.00 0.00 N ATOM 411 CA CYS A 36 7.947 5.101 -12.392 1.00 0.00 C ATOM 412 C CYS A 36 9.079 4.233 -11.847 1.00 0.00 C ATOM 413 O CYS A 36 10.027 3.910 -12.564 1.00 0.00 O ATOM 414 CB CYS A 36 7.544 6.152 -11.355 1.00 0.00 C ATOM 415 SG CYS A 36 6.733 7.623 -12.062 1.00 0.00 S ATOM 0 H CYS A 36 6.554 4.330 -13.756 1.00 0.00 H new ATOM 0 HA CYS A 36 8.306 5.607 -13.288 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.872 5.693 -10.631 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.433 6.468 -10.809 1.00 0.00 H new ATOM 420 N ARG A 37 8.978 3.859 -10.574 1.00 0.00 N ATOM 421 CA ARG A 37 9.995 3.031 -9.937 1.00 0.00 C ATOM 422 C ARG A 37 9.510 2.525 -8.580 1.00 0.00 C ATOM 423 O ARG A 37 10.292 2.391 -7.639 1.00 0.00 O ATOM 424 CB ARG A 37 11.295 3.823 -9.769 1.00 0.00 C ATOM 425 CG ARG A 37 12.330 3.526 -10.842 1.00 0.00 C ATOM 426 CD ARG A 37 13.731 3.434 -10.258 1.00 0.00 C ATOM 427 NE ARG A 37 14.525 4.627 -10.545 1.00 0.00 N ATOM 428 CZ ARG A 37 14.456 5.752 -9.837 1.00 0.00 C ATOM 429 NH1 ARG A 37 13.635 5.845 -8.797 1.00 0.00 N ATOM 430 NH2 ARG A 37 15.212 6.791 -10.168 1.00 0.00 N ATOM 0 H ARG A 37 8.202 4.117 -9.964 1.00 0.00 H new ATOM 0 HA ARG A 37 10.185 2.170 -10.578 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.066 4.889 -9.782 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.723 3.600 -8.791 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.080 2.589 -11.340 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.302 4.307 -11.601 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.665 3.294 -9.179 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.236 2.557 -10.663 1.00 0.00 H new ATOM 0 HE ARG A 37 15.170 4.596 -11.334 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.051 5.051 -8.535 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.588 6.711 -8.260 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.846 6.727 -10.965 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.159 7.653 -9.626 1.00 0.00 H new ATOM 444 N PHE A 38 8.215 2.248 -8.489 1.00 0.00 N ATOM 445 CA PHE A 38 7.621 1.760 -7.250 1.00 0.00 C ATOM 446 C PHE A 38 8.262 0.441 -6.822 1.00 0.00 C ATOM 447 O PHE A 38 9.215 -0.025 -7.445 1.00 0.00 O ATOM 448 CB PHE A 38 6.109 1.585 -7.423 1.00 0.00 C ATOM 449 CG PHE A 38 5.338 2.874 -7.339 1.00 0.00 C ATOM 450 CD1 PHE A 38 5.809 4.023 -7.961 1.00 0.00 C ATOM 451 CD2 PHE A 38 4.144 2.937 -6.641 1.00 0.00 C ATOM 452 CE1 PHE A 38 5.101 5.207 -7.886 1.00 0.00 C ATOM 453 CE2 PHE A 38 3.432 4.121 -6.563 1.00 0.00 C ATOM 454 CZ PHE A 38 3.911 5.256 -7.186 1.00 0.00 C ATOM 0 H PHE A 38 7.555 2.353 -9.260 1.00 0.00 H new ATOM 0 HA PHE A 38 7.804 2.497 -6.468 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.914 1.118 -8.388 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.741 0.901 -6.658 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.739 3.991 -8.509 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.764 2.052 -6.152 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.478 6.094 -8.374 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.502 4.157 -6.015 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.356 6.181 -7.126 1.00 0.00 H new ATOM 464 N LEU A 39 7.736 -0.151 -5.755 1.00 0.00 N ATOM 465 CA LEU A 39 8.264 -1.412 -5.244 1.00 0.00 C ATOM 466 C LEU A 39 7.750 -2.596 -6.060 1.00 0.00 C ATOM 467 O LEU A 39 6.546 -2.742 -6.270 1.00 0.00 O ATOM 468 CB LEU A 39 7.884 -1.586 -3.771 1.00 0.00 C ATOM 469 CG LEU A 39 9.042 -1.955 -2.843 1.00 0.00 C ATOM 470 CD1 LEU A 39 8.558 -2.073 -1.406 1.00 0.00 C ATOM 471 CD2 LEU A 39 9.695 -3.253 -3.295 1.00 0.00 C ATOM 0 H LEU A 39 6.946 0.221 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 39 9.350 -1.383 -5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.435 -0.659 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.119 -2.359 -3.698 1.00 0.00 H new ATOM 0 HG LEU A 39 9.787 -1.161 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.396 -2.336 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.137 -1.120 -1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.793 -2.847 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.517 -3.500 -2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.958 -4.056 -3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.078 -3.134 -4.308 1.00 0.00 H new ATOM 483 N THR A 40 8.674 -3.436 -6.516 1.00 0.00 N ATOM 484 CA THR A 40 8.320 -4.608 -7.311 1.00 0.00 C ATOM 485 C THR A 40 7.859 -5.755 -6.420 1.00 0.00 C ATOM 486 O THR A 40 7.996 -5.703 -5.198 1.00 0.00 O ATOM 487 CB THR A 40 9.518 -5.064 -8.144 1.00 0.00 C ATOM 488 OG1 THR A 40 9.248 -6.310 -8.762 1.00 0.00 O ATOM 489 CG2 THR A 40 10.786 -5.223 -7.337 1.00 0.00 C ATOM 0 H THR A 40 9.674 -3.327 -6.349 1.00 0.00 H new ATOM 0 HA THR A 40 7.501 -4.327 -7.973 1.00 0.00 H new ATOM 0 HB THR A 40 9.673 -4.276 -8.881 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.998 -6.556 -9.343 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.595 -5.548 -7.991 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.049 -4.268 -6.881 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.629 -5.967 -6.556 1.00 0.00 H new ATOM 497 N ILE A 41 7.320 -6.797 -7.045 1.00 0.00 N ATOM 498 CA ILE A 41 6.849 -7.966 -6.313 1.00 0.00 C ATOM 499 C ILE A 41 7.460 -9.241 -6.885 1.00 0.00 C ATOM 500 O ILE A 41 7.831 -9.287 -8.057 1.00 0.00 O ATOM 501 CB ILE A 41 5.309 -8.073 -6.342 1.00 0.00 C ATOM 502 CG1 ILE A 41 4.683 -6.810 -5.742 1.00 0.00 C ATOM 503 CG2 ILE A 41 4.847 -9.312 -5.588 1.00 0.00 C ATOM 504 CD1 ILE A 41 3.172 -6.867 -5.636 1.00 0.00 C ATOM 0 H ILE A 41 7.199 -6.855 -8.056 1.00 0.00 H new ATOM 0 HA ILE A 41 7.165 -7.847 -5.277 1.00 0.00 H new ATOM 0 HB ILE A 41 4.983 -8.164 -7.378 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.102 -6.645 -4.749 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.963 -5.952 -6.353 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.759 -9.372 -5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.272 -10.201 -6.054 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.178 -9.252 -4.551 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.802 -5.938 -5.202 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.742 -7.000 -6.629 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.883 -7.704 -5.000 1.00 0.00 H new ATOM 516 N HIS A 42 7.573 -10.270 -6.049 1.00 0.00 N ATOM 517 CA HIS A 42 8.151 -11.541 -6.477 1.00 0.00 C ATOM 518 C HIS A 42 7.415 -12.721 -5.846 1.00 0.00 C ATOM 519 O HIS A 42 7.104 -12.704 -4.656 1.00 0.00 O ATOM 520 CB HIS A 42 9.635 -11.596 -6.107 1.00 0.00 C ATOM 521 CG HIS A 42 10.335 -12.821 -6.608 1.00 0.00 C ATOM 522 ND1 HIS A 42 9.985 -14.100 -6.228 1.00 0.00 N ATOM 523 CD2 HIS A 42 11.374 -12.958 -7.467 1.00 0.00 C ATOM 524 CE1 HIS A 42 10.777 -14.969 -6.830 1.00 0.00 C ATOM 525 NE2 HIS A 42 11.627 -14.302 -7.587 1.00 0.00 N ATOM 0 H HIS A 42 7.273 -10.249 -5.074 1.00 0.00 H new ATOM 0 HA HIS A 42 8.046 -11.611 -7.560 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.133 -10.714 -6.508 1.00 0.00 H new ATOM 0 HB3 HIS A 42 9.732 -11.551 -5.022 1.00 0.00 H new ATOM 0 HD1 HIS A 42 9.232 -14.338 -5.583 1.00 0.00 H new ATOM 0 HD2 HIS A 42 11.904 -12.159 -7.964 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.736 -16.043 -6.721 1.00 0.00 H new ATOM 534 N ARG A 43 7.140 -13.745 -6.654 1.00 0.00 N ATOM 535 CA ARG A 43 6.443 -14.939 -6.186 1.00 0.00 C ATOM 536 C ARG A 43 6.957 -15.404 -4.827 1.00 0.00 C ATOM 537 O ARG A 43 8.073 -15.082 -4.422 1.00 0.00 O ATOM 538 CB ARG A 43 6.607 -16.075 -7.198 1.00 0.00 C ATOM 539 CG ARG A 43 5.437 -16.226 -8.152 1.00 0.00 C ATOM 540 CD ARG A 43 4.120 -16.374 -7.409 1.00 0.00 C ATOM 541 NE ARG A 43 4.151 -17.491 -6.465 1.00 0.00 N ATOM 542 CZ ARG A 43 3.266 -17.660 -5.485 1.00 0.00 C ATOM 543 NH1 ARG A 43 2.282 -16.787 -5.313 1.00 0.00 N ATOM 544 NH2 ARG A 43 3.366 -18.705 -4.676 1.00 0.00 N ATOM 0 H ARG A 43 7.392 -13.769 -7.642 1.00 0.00 H new ATOM 0 HA ARG A 43 5.390 -14.677 -6.082 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.515 -15.904 -7.777 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.745 -17.012 -6.658 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.389 -15.357 -8.808 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.596 -17.097 -8.787 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.900 -15.451 -6.873 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.313 -16.526 -8.126 1.00 0.00 H new ATOM 0 HE ARG A 43 4.895 -18.182 -6.564 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.201 -15.981 -5.933 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.607 -16.921 -4.560 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.121 -19.379 -4.804 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.688 -18.835 -3.925 1.00 0.00 H new ATOM 558 N GLY A 44 6.126 -16.181 -4.140 1.00 0.00 N ATOM 559 CA GLY A 44 6.487 -16.714 -2.835 1.00 0.00 C ATOM 560 C GLY A 44 7.160 -15.699 -1.930 1.00 0.00 C ATOM 561 O GLY A 44 7.975 -16.062 -1.081 1.00 0.00 O ATOM 0 H GLY A 44 5.199 -16.454 -4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.589 -17.088 -2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.154 -17.565 -2.971 1.00 0.00 H new ATOM 565 N GLN A 45 6.821 -14.426 -2.104 1.00 0.00 N ATOM 566 CA GLN A 45 7.401 -13.367 -1.286 1.00 0.00 C ATOM 567 C GLN A 45 6.336 -12.713 -0.412 1.00 0.00 C ATOM 568 O GLN A 45 5.358 -12.162 -0.918 1.00 0.00 O ATOM 569 CB GLN A 45 8.071 -12.313 -2.168 1.00 0.00 C ATOM 570 CG GLN A 45 8.991 -11.375 -1.403 1.00 0.00 C ATOM 571 CD GLN A 45 10.133 -10.854 -2.254 1.00 0.00 C ATOM 572 OE1 GLN A 45 9.913 -10.198 -3.272 1.00 0.00 O ATOM 573 NE2 GLN A 45 11.361 -11.145 -1.840 1.00 0.00 N ATOM 0 H GLN A 45 6.150 -14.103 -2.801 1.00 0.00 H new ATOM 0 HA GLN A 45 8.155 -13.816 -0.639 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.644 -12.815 -2.948 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.300 -11.726 -2.667 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.412 -10.533 -1.024 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.397 -11.897 -0.537 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.496 -11.692 -0.990 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.169 -10.822 -2.372 1.00 0.00 H new ATOM 582 N VAL A 46 6.533 -12.778 0.901 1.00 0.00 N ATOM 583 CA VAL A 46 5.590 -12.194 1.841 1.00 0.00 C ATOM 584 C VAL A 46 5.636 -10.670 1.775 1.00 0.00 C ATOM 585 O VAL A 46 6.646 -10.087 1.384 1.00 0.00 O ATOM 586 CB VAL A 46 5.890 -12.655 3.278 1.00 0.00 C ATOM 587 CG1 VAL A 46 4.857 -12.106 4.251 1.00 0.00 C ATOM 588 CG2 VAL A 46 5.942 -14.174 3.350 1.00 0.00 C ATOM 0 H VAL A 46 7.338 -13.230 1.335 1.00 0.00 H new ATOM 0 HA VAL A 46 4.592 -12.533 1.562 1.00 0.00 H new ATOM 0 HB VAL A 46 6.865 -12.262 3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.091 -12.446 5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.873 -11.016 4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.866 -12.462 3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.155 -14.483 4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.982 -14.586 3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.726 -14.543 2.689 1.00 0.00 H new ATOM 598 N VAL A 47 4.537 -10.031 2.159 1.00 0.00 N ATOM 599 CA VAL A 47 4.449 -8.593 2.144 1.00 0.00 C ATOM 600 C VAL A 47 3.576 -8.084 3.287 1.00 0.00 C ATOM 601 O VAL A 47 2.656 -8.769 3.730 1.00 0.00 O ATOM 602 CB VAL A 47 3.889 -8.072 0.805 1.00 0.00 C ATOM 603 CG1 VAL A 47 4.193 -6.598 0.611 1.00 0.00 C ATOM 604 CG2 VAL A 47 4.422 -8.890 -0.363 1.00 0.00 C ATOM 0 H VAL A 47 3.692 -10.500 2.486 1.00 0.00 H new ATOM 0 HA VAL A 47 5.463 -8.214 2.270 1.00 0.00 H new ATOM 0 HB VAL A 47 2.805 -8.186 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.784 -6.265 -0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.742 -6.024 1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.272 -6.445 0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.012 -8.502 -1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.510 -8.822 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.126 -9.932 -0.242 1.00 0.00 H new ATOM 614 N TYR A 48 3.874 -6.880 3.765 1.00 0.00 N ATOM 615 CA TYR A 48 3.119 -6.283 4.859 1.00 0.00 C ATOM 616 C TYR A 48 2.410 -5.010 4.403 1.00 0.00 C ATOM 617 O TYR A 48 3.017 -3.942 4.333 1.00 0.00 O ATOM 618 CB TYR A 48 4.048 -5.969 6.034 1.00 0.00 C ATOM 619 CG TYR A 48 3.944 -6.959 7.173 1.00 0.00 C ATOM 620 CD1 TYR A 48 2.756 -7.115 7.875 1.00 0.00 C ATOM 621 CD2 TYR A 48 5.034 -7.736 7.546 1.00 0.00 C ATOM 622 CE1 TYR A 48 2.656 -8.017 8.918 1.00 0.00 C ATOM 623 CE2 TYR A 48 4.942 -8.641 8.586 1.00 0.00 C ATOM 624 CZ TYR A 48 3.751 -8.777 9.268 1.00 0.00 C ATOM 625 OH TYR A 48 3.656 -9.676 10.306 1.00 0.00 O ATOM 0 H TYR A 48 4.634 -6.299 3.411 1.00 0.00 H new ATOM 0 HA TYR A 48 2.365 -7.001 5.181 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.077 -5.947 5.676 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.820 -4.971 6.409 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.896 -6.522 7.602 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.968 -7.631 7.014 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.725 -8.125 9.455 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.798 -9.238 8.863 1.00 0.00 H new ATOM 0 HH TYR A 48 4.515 -10.132 10.423 1.00 0.00 H new ATOM 635 N VAL A 49 1.121 -5.130 4.100 1.00 0.00 N ATOM 636 CA VAL A 49 0.334 -3.986 3.659 1.00 0.00 C ATOM 637 C VAL A 49 0.114 -3.007 4.807 1.00 0.00 C ATOM 638 O VAL A 49 -0.302 -3.398 5.898 1.00 0.00 O ATOM 639 CB VAL A 49 -1.031 -4.422 3.094 1.00 0.00 C ATOM 640 CG1 VAL A 49 -1.777 -3.233 2.509 1.00 0.00 C ATOM 641 CG2 VAL A 49 -0.852 -5.512 2.047 1.00 0.00 C ATOM 0 H VAL A 49 0.601 -6.006 4.152 1.00 0.00 H new ATOM 0 HA VAL A 49 0.898 -3.495 2.866 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.626 -4.827 3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.738 -3.564 2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.941 -2.487 3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.188 -2.794 1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.827 -5.807 1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.236 -5.135 1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.365 -6.375 2.500 1.00 0.00 H new ATOM 651 N PHE A 50 0.406 -1.735 4.558 1.00 0.00 N ATOM 652 CA PHE A 50 0.247 -0.703 5.576 1.00 0.00 C ATOM 653 C PHE A 50 -1.057 0.066 5.390 1.00 0.00 C ATOM 654 O PHE A 50 -1.584 0.646 6.340 1.00 0.00 O ATOM 655 CB PHE A 50 1.435 0.262 5.540 1.00 0.00 C ATOM 656 CG PHE A 50 2.082 0.464 6.881 1.00 0.00 C ATOM 657 CD1 PHE A 50 3.055 -0.415 7.334 1.00 0.00 C ATOM 658 CD2 PHE A 50 1.718 1.530 7.687 1.00 0.00 C ATOM 659 CE1 PHE A 50 3.651 -0.232 8.568 1.00 0.00 C ATOM 660 CE2 PHE A 50 2.312 1.716 8.921 1.00 0.00 C ATOM 661 CZ PHE A 50 3.279 0.835 9.361 1.00 0.00 C ATOM 0 H PHE A 50 0.753 -1.394 3.662 1.00 0.00 H new ATOM 0 HA PHE A 50 0.212 -1.195 6.548 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.179 -0.116 4.839 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.099 1.226 5.158 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.350 -1.251 6.717 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.962 2.223 7.348 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.407 -0.923 8.911 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.020 2.551 9.541 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.744 0.980 10.325 1.00 0.00 H new ATOM 671 N SER A 51 -1.575 0.073 4.165 1.00 0.00 N ATOM 672 CA SER A 51 -2.817 0.780 3.875 1.00 0.00 C ATOM 673 C SER A 51 -3.402 0.344 2.536 1.00 0.00 C ATOM 674 O SER A 51 -2.741 -0.333 1.748 1.00 0.00 O ATOM 675 CB SER A 51 -2.579 2.291 3.871 1.00 0.00 C ATOM 676 OG SER A 51 -3.787 2.998 3.652 1.00 0.00 O ATOM 0 H SER A 51 -1.157 -0.399 3.363 1.00 0.00 H new ATOM 0 HA SER A 51 -3.533 0.531 4.658 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.143 2.596 4.822 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.859 2.547 3.094 1.00 0.00 H new ATOM 0 HG SER A 51 -4.340 2.958 4.460 1.00 0.00 H new ATOM 682 N LYS A 52 -4.645 0.740 2.287 1.00 0.00 N ATOM 683 CA LYS A 52 -5.326 0.395 1.044 1.00 0.00 C ATOM 684 C LYS A 52 -6.030 1.615 0.458 1.00 0.00 C ATOM 685 O LYS A 52 -7.233 1.798 0.643 1.00 0.00 O ATOM 686 CB LYS A 52 -6.339 -0.726 1.284 1.00 0.00 C ATOM 687 CG LYS A 52 -5.792 -1.879 2.110 1.00 0.00 C ATOM 688 CD LYS A 52 -6.893 -2.568 2.900 1.00 0.00 C ATOM 689 CE LYS A 52 -7.480 -1.649 3.960 1.00 0.00 C ATOM 690 NZ LYS A 52 -8.968 -1.671 3.952 1.00 0.00 N ATOM 0 H LYS A 52 -5.203 1.301 2.931 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.577 0.049 0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.212 -0.312 1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.678 -1.109 0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.307 -2.601 1.453 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.029 -1.508 2.794 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.682 -2.891 2.220 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.494 -3.464 3.375 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.118 -1.951 4.943 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.131 -0.630 3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.329 -1.032 4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.315 -1.359 3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.302 -2.638 4.139 1.00 0.00 H new ATOM 704 N LEU A 53 -5.272 2.447 -0.249 1.00 0.00 N ATOM 705 CA LEU A 53 -5.824 3.650 -0.861 1.00 0.00 C ATOM 706 C LEU A 53 -6.775 3.299 -2.001 1.00 0.00 C ATOM 707 O LEU A 53 -6.411 2.573 -2.924 1.00 0.00 O ATOM 708 CB LEU A 53 -4.698 4.546 -1.381 1.00 0.00 C ATOM 709 CG LEU A 53 -5.150 5.892 -1.952 1.00 0.00 C ATOM 710 CD1 LEU A 53 -4.233 7.010 -1.478 1.00 0.00 C ATOM 711 CD2 LEU A 53 -5.189 5.843 -3.472 1.00 0.00 C ATOM 0 H LEU A 53 -4.274 2.310 -0.412 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.386 4.187 -0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.997 4.731 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.153 4.006 -2.155 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.157 6.096 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.571 7.959 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.256 7.063 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.214 6.810 -1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.513 6.809 -3.859 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.194 5.614 -3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.888 5.071 -3.793 1.00 0.00 H new ATOM 723 N LYS A 54 -7.994 3.823 -1.928 1.00 0.00 N ATOM 724 CA LYS A 54 -8.998 3.568 -2.955 1.00 0.00 C ATOM 725 C LYS A 54 -9.428 4.863 -3.632 1.00 0.00 C ATOM 726 O LYS A 54 -10.542 4.966 -4.143 1.00 0.00 O ATOM 727 CB LYS A 54 -10.215 2.869 -2.350 1.00 0.00 C ATOM 728 CG LYS A 54 -9.884 1.546 -1.681 1.00 0.00 C ATOM 729 CD LYS A 54 -11.087 0.976 -0.946 1.00 0.00 C ATOM 730 CE LYS A 54 -10.662 0.112 0.230 1.00 0.00 C ATOM 731 NZ LYS A 54 -10.177 -1.225 -0.211 1.00 0.00 N ATOM 0 H LYS A 54 -8.311 4.426 -1.169 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.551 2.917 -3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.678 3.531 -1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.952 2.696 -3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.544 0.833 -2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.062 1.688 -0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.718 1.791 -0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.689 0.384 -1.635 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.874 0.619 0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.503 -0.013 0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.897 -1.784 0.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.937 -1.719 -0.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.358 -1.107 -0.841 1.00 0.00 H new ATOM 745 N GLY A 55 -8.537 5.849 -3.637 1.00 0.00 N ATOM 746 CA GLY A 55 -8.847 7.120 -4.263 1.00 0.00 C ATOM 747 C GLY A 55 -8.947 7.001 -5.769 1.00 0.00 C ATOM 748 O GLY A 55 -8.072 7.471 -6.497 1.00 0.00 O ATOM 0 H GLY A 55 -7.608 5.791 -3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.789 7.500 -3.866 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.077 7.848 -4.007 1.00 0.00 H new ATOM 752 N ARG A 56 -10.013 6.360 -6.238 1.00 0.00 N ATOM 753 CA ARG A 56 -10.223 6.165 -7.667 1.00 0.00 C ATOM 754 C ARG A 56 -9.157 5.237 -8.241 1.00 0.00 C ATOM 755 O ARG A 56 -8.788 5.347 -9.409 1.00 0.00 O ATOM 756 CB ARG A 56 -10.198 7.509 -8.402 1.00 0.00 C ATOM 757 CG ARG A 56 -11.059 7.535 -9.654 1.00 0.00 C ATOM 758 CD ARG A 56 -12.302 8.389 -9.460 1.00 0.00 C ATOM 759 NE ARG A 56 -13.280 7.743 -8.587 1.00 0.00 N ATOM 760 CZ ARG A 56 -14.564 8.090 -8.528 1.00 0.00 C ATOM 761 NH1 ARG A 56 -15.029 9.074 -9.288 1.00 0.00 N ATOM 762 NH2 ARG A 56 -15.386 7.451 -7.708 1.00 0.00 N ATOM 0 H ARG A 56 -10.746 5.966 -5.647 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.202 5.706 -7.809 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.536 8.291 -7.723 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.169 7.746 -8.674 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.476 7.924 -10.489 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.352 6.518 -9.916 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.018 9.352 -9.036 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.758 8.590 -10.429 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.960 6.982 -7.988 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.402 9.569 -9.922 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -16.014 9.335 -9.238 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.035 6.693 -7.122 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.370 7.717 -7.663 1.00 0.00 H new ATOM 776 N GLY A 57 -8.666 4.322 -7.408 1.00 0.00 N ATOM 777 CA GLY A 57 -7.646 3.389 -7.849 1.00 0.00 C ATOM 778 C GLY A 57 -7.405 2.273 -6.851 1.00 0.00 C ATOM 779 O GLY A 57 -6.269 2.037 -6.437 1.00 0.00 O ATOM 0 H GLY A 57 -8.957 4.211 -6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.942 2.958 -8.805 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.714 3.928 -8.017 1.00 0.00 H new ATOM 783 N ARG A 58 -8.475 1.582 -6.463 1.00 0.00 N ATOM 784 CA ARG A 58 -8.381 0.483 -5.510 1.00 0.00 C ATOM 785 C ARG A 58 -7.284 -0.508 -5.901 1.00 0.00 C ATOM 786 O ARG A 58 -6.768 -1.239 -5.056 1.00 0.00 O ATOM 787 CB ARG A 58 -9.725 -0.243 -5.418 1.00 0.00 C ATOM 788 CG ARG A 58 -9.891 -1.050 -4.142 1.00 0.00 C ATOM 789 CD ARG A 58 -9.769 -2.544 -4.402 1.00 0.00 C ATOM 790 NE ARG A 58 -10.856 -3.298 -3.781 1.00 0.00 N ATOM 791 CZ ARG A 58 -12.073 -3.415 -4.306 1.00 0.00 C ATOM 792 NH1 ARG A 58 -12.365 -2.826 -5.460 1.00 0.00 N ATOM 793 NH2 ARG A 58 -13.002 -4.121 -3.676 1.00 0.00 N ATOM 0 H ARG A 58 -9.421 1.767 -6.797 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.123 0.905 -4.538 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.530 0.489 -5.483 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.829 -0.908 -6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.137 -0.744 -3.417 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.864 -0.836 -3.700 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.769 -2.726 -5.477 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.814 -2.902 -4.018 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.671 -3.762 -2.892 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.655 -2.281 -5.948 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.300 -2.919 -5.858 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.784 -4.574 -2.789 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.935 -4.211 -4.079 1.00 0.00 H new ATOM 807 N LEU A 59 -6.938 -0.529 -7.185 1.00 0.00 N ATOM 808 CA LEU A 59 -5.914 -1.429 -7.690 1.00 0.00 C ATOM 809 C LEU A 59 -4.520 -1.051 -7.185 1.00 0.00 C ATOM 810 O LEU A 59 -3.542 -1.731 -7.489 1.00 0.00 O ATOM 811 CB LEU A 59 -5.925 -1.437 -9.222 1.00 0.00 C ATOM 812 CG LEU A 59 -6.123 -0.067 -9.877 1.00 0.00 C ATOM 813 CD1 LEU A 59 -5.050 0.188 -10.923 1.00 0.00 C ATOM 814 CD2 LEU A 59 -7.509 0.033 -10.497 1.00 0.00 C ATOM 0 H LEU A 59 -7.356 0.072 -7.895 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.145 -2.426 -7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.984 -1.858 -9.575 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.719 -2.103 -9.561 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.036 0.697 -9.105 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.209 1.166 -11.376 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.068 0.162 -10.451 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.103 -0.581 -11.693 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.632 1.013 -10.958 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.625 -0.741 -11.255 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.264 -0.101 -9.723 1.00 0.00 H new ATOM 826 N PHE A 60 -4.427 0.034 -6.419 1.00 0.00 N ATOM 827 CA PHE A 60 -3.145 0.480 -5.889 1.00 0.00 C ATOM 828 C PHE A 60 -3.165 0.517 -4.364 1.00 0.00 C ATOM 829 O PHE A 60 -3.502 1.536 -3.760 1.00 0.00 O ATOM 830 CB PHE A 60 -2.789 1.860 -6.449 1.00 0.00 C ATOM 831 CG PHE A 60 -1.479 1.892 -7.188 1.00 0.00 C ATOM 832 CD1 PHE A 60 -1.088 0.826 -7.984 1.00 0.00 C ATOM 833 CD2 PHE A 60 -0.641 2.990 -7.085 1.00 0.00 C ATOM 834 CE1 PHE A 60 0.115 0.856 -8.663 1.00 0.00 C ATOM 835 CE2 PHE A 60 0.563 3.026 -7.763 1.00 0.00 C ATOM 836 CZ PHE A 60 0.942 1.958 -8.552 1.00 0.00 C ATOM 0 H PHE A 60 -5.221 0.617 -6.154 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.383 -0.235 -6.201 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.583 2.186 -7.121 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.751 2.577 -5.629 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.731 -0.037 -8.074 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.932 3.827 -6.468 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.409 0.019 -9.280 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.207 3.889 -7.676 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.883 1.984 -9.081 1.00 0.00 H new ATOM 846 N TRP A 61 -2.798 -0.602 -3.750 1.00 0.00 N ATOM 847 CA TRP A 61 -2.767 -0.707 -2.295 1.00 0.00 C ATOM 848 C TRP A 61 -1.373 -0.398 -1.759 1.00 0.00 C ATOM 849 O TRP A 61 -0.373 -0.640 -2.432 1.00 0.00 O ATOM 850 CB TRP A 61 -3.191 -2.110 -1.855 1.00 0.00 C ATOM 851 CG TRP A 61 -4.676 -2.283 -1.752 1.00 0.00 C ATOM 852 CD1 TRP A 61 -5.637 -1.500 -2.325 1.00 0.00 C ATOM 853 CD2 TRP A 61 -5.371 -3.307 -1.031 1.00 0.00 C ATOM 854 NE1 TRP A 61 -6.882 -1.972 -2.006 1.00 0.00 N ATOM 855 CE2 TRP A 61 -6.750 -3.081 -1.212 1.00 0.00 C ATOM 856 CE3 TRP A 61 -4.964 -4.392 -0.251 1.00 0.00 C ATOM 857 CZ2 TRP A 61 -7.720 -3.900 -0.642 1.00 0.00 C ATOM 858 CZ3 TRP A 61 -5.929 -5.205 0.315 1.00 0.00 C ATOM 859 CH2 TRP A 61 -7.293 -4.955 0.117 1.00 0.00 C ATOM 0 H TRP A 61 -2.517 -1.452 -4.239 1.00 0.00 H new ATOM 0 HA TRP A 61 -3.467 0.023 -1.888 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.797 -2.839 -2.564 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -2.740 -2.330 -0.887 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.443 -0.634 -2.941 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.766 -1.564 -2.310 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.915 -4.592 -0.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -8.772 -3.710 -0.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.626 -6.047 0.920 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -8.022 -5.608 0.573 1.00 0.00 H new ATOM 870 N GLY A 62 -1.312 0.139 -0.543 1.00 0.00 N ATOM 871 CA GLY A 62 -0.032 0.471 0.056 1.00 0.00 C ATOM 872 C GLY A 62 0.524 -0.660 0.900 1.00 0.00 C ATOM 873 O GLY A 62 -0.138 -1.138 1.821 1.00 0.00 O ATOM 0 H GLY A 62 -2.125 0.349 0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.681 0.717 -0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.144 1.361 0.675 1.00 0.00 H new ATOM 877 N GLY A 63 1.743 -1.089 0.586 1.00 0.00 N ATOM 878 CA GLY A 63 2.362 -2.167 1.333 1.00 0.00 C ATOM 879 C GLY A 63 3.871 -2.198 1.181 1.00 0.00 C ATOM 880 O GLY A 63 4.464 -1.285 0.608 1.00 0.00 O ATOM 0 H GLY A 63 2.311 -0.710 -0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.110 -2.063 2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.948 -3.118 0.999 1.00 0.00 H new ATOM 884 N SER A 64 4.488 -3.258 1.695 1.00 0.00 N ATOM 885 CA SER A 64 5.937 -3.417 1.617 1.00 0.00 C ATOM 886 C SER A 64 6.310 -4.885 1.755 1.00 0.00 C ATOM 887 O SER A 64 5.807 -5.578 2.638 1.00 0.00 O ATOM 888 CB SER A 64 6.627 -2.597 2.708 1.00 0.00 C ATOM 889 OG SER A 64 5.746 -2.338 3.787 1.00 0.00 O ATOM 0 H SER A 64 4.006 -4.021 2.171 1.00 0.00 H new ATOM 0 HA SER A 64 6.273 -3.054 0.645 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.503 -3.134 3.071 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.981 -1.655 2.290 1.00 0.00 H new ATOM 0 HG SER A 64 6.250 -1.957 4.536 1.00 0.00 H new ATOM 895 N VAL A 65 7.187 -5.363 0.882 1.00 0.00 N ATOM 896 CA VAL A 65 7.602 -6.731 0.910 1.00 0.00 C ATOM 897 C VAL A 65 8.549 -6.991 2.061 1.00 0.00 C ATOM 898 O VAL A 65 9.394 -6.164 2.404 1.00 0.00 O ATOM 899 CB VAL A 65 8.289 -7.142 -0.397 1.00 0.00 C ATOM 900 CG1 VAL A 65 7.279 -7.691 -1.392 1.00 0.00 C ATOM 901 CG2 VAL A 65 9.079 -5.986 -1.004 1.00 0.00 C ATOM 0 H VAL A 65 7.619 -4.806 0.145 1.00 0.00 H new ATOM 0 HA VAL A 65 6.698 -7.327 1.039 1.00 0.00 H new ATOM 0 HB VAL A 65 8.998 -7.935 -0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.791 -7.975 -2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.786 -8.565 -0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.534 -6.927 -1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.552 -6.315 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.405 -5.156 -1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.845 -5.660 -0.301 1.00 0.00 H new ATOM 911 N GLN A 66 8.380 -8.152 2.644 1.00 0.00 N ATOM 912 CA GLN A 66 9.198 -8.577 3.775 1.00 0.00 C ATOM 913 C GLN A 66 10.679 -8.594 3.407 1.00 0.00 C ATOM 914 O GLN A 66 11.052 -8.986 2.302 1.00 0.00 O ATOM 915 CB GLN A 66 8.763 -9.963 4.251 1.00 0.00 C ATOM 916 CG GLN A 66 7.339 -10.000 4.780 1.00 0.00 C ATOM 917 CD GLN A 66 7.200 -10.868 6.014 1.00 0.00 C ATOM 918 OE1 GLN A 66 7.182 -12.095 5.926 1.00 0.00 O ATOM 919 NE2 GLN A 66 7.099 -10.232 7.176 1.00 0.00 N ATOM 0 H GLN A 66 7.677 -8.833 2.357 1.00 0.00 H new ATOM 0 HA GLN A 66 9.055 -7.859 4.583 1.00 0.00 H new ATOM 0 HB2 GLN A 66 8.854 -10.668 3.425 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.442 -10.300 5.034 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.016 -8.986 5.015 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.675 -10.374 4.000 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.119 -9.213 7.203 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.002 -10.763 8.041 1.00 0.00 H new ATOM 928 N GLY A 67 11.519 -8.165 4.346 1.00 0.00 N ATOM 929 CA GLY A 67 12.950 -8.138 4.107 1.00 0.00 C ATOM 930 C GLY A 67 13.730 -8.872 5.180 1.00 0.00 C ATOM 931 O GLY A 67 14.137 -10.018 4.986 1.00 0.00 O ATOM 0 H GLY A 67 11.233 -7.836 5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 67 13.162 -8.587 3.137 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.288 -7.103 4.060 1.00 0.00 H new ATOM 935 N ASP A 68 13.940 -8.212 6.315 1.00 0.00 N ATOM 936 CA ASP A 68 14.675 -8.811 7.422 1.00 0.00 C ATOM 937 C ASP A 68 14.479 -8.004 8.704 1.00 0.00 C ATOM 938 O ASP A 68 14.600 -6.780 8.702 1.00 0.00 O ATOM 939 CB ASP A 68 16.165 -8.903 7.083 1.00 0.00 C ATOM 940 CG ASP A 68 16.620 -10.331 6.855 1.00 0.00 C ATOM 941 OD1 ASP A 68 16.021 -11.247 7.454 1.00 0.00 O ATOM 942 OD2 ASP A 68 17.575 -10.532 6.076 1.00 0.00 O ATOM 0 H ASP A 68 13.611 -7.263 6.491 1.00 0.00 H new ATOM 0 HA ASP A 68 14.285 -9.816 7.584 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.368 -8.313 6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.747 -8.464 7.894 1.00 0.00 H new ATOM 947 N TYR A 69 14.177 -8.701 9.794 1.00 0.00 N ATOM 948 CA TYR A 69 13.965 -8.051 11.081 1.00 0.00 C ATOM 949 C TYR A 69 15.143 -8.306 12.018 1.00 0.00 C ATOM 950 O TYR A 69 14.966 -8.766 13.147 1.00 0.00 O ATOM 951 CB TYR A 69 12.668 -8.551 11.721 1.00 0.00 C ATOM 952 CG TYR A 69 11.429 -8.209 10.925 1.00 0.00 C ATOM 953 CD1 TYR A 69 11.240 -8.716 9.646 1.00 0.00 C ATOM 954 CD2 TYR A 69 10.447 -7.379 11.453 1.00 0.00 C ATOM 955 CE1 TYR A 69 10.109 -8.406 8.914 1.00 0.00 C ATOM 956 CE2 TYR A 69 9.314 -7.065 10.729 1.00 0.00 C ATOM 957 CZ TYR A 69 9.149 -7.581 9.461 1.00 0.00 C ATOM 958 OH TYR A 69 8.022 -7.269 8.736 1.00 0.00 O ATOM 0 H TYR A 69 14.074 -9.716 9.811 1.00 0.00 H new ATOM 0 HA TYR A 69 13.886 -6.977 10.911 1.00 0.00 H new ATOM 0 HB2 TYR A 69 12.725 -9.633 11.841 1.00 0.00 H new ATOM 0 HB3 TYR A 69 12.577 -8.124 12.720 1.00 0.00 H new ATOM 0 HD1 TYR A 69 11.990 -9.364 9.216 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.572 -6.973 12.446 1.00 0.00 H new ATOM 0 HE1 TYR A 69 9.978 -8.807 7.920 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.561 -6.418 11.154 1.00 0.00 H new ATOM 0 HH TYR A 69 7.311 -7.910 8.945 1.00 0.00 H new ATOM 968 N TYR A 70 16.347 -8.006 11.541 1.00 0.00 N ATOM 969 CA TYR A 70 17.554 -8.204 12.335 1.00 0.00 C ATOM 970 C TYR A 70 18.437 -6.960 12.299 1.00 0.00 C ATOM 971 O TYR A 70 19.389 -6.883 11.523 1.00 0.00 O ATOM 972 CB TYR A 70 18.332 -9.417 11.822 1.00 0.00 C ATOM 973 CG TYR A 70 18.828 -10.330 12.922 1.00 0.00 C ATOM 974 CD1 TYR A 70 19.623 -9.841 13.950 1.00 0.00 C ATOM 975 CD2 TYR A 70 18.500 -11.681 12.930 1.00 0.00 C ATOM 976 CE1 TYR A 70 20.079 -10.671 14.957 1.00 0.00 C ATOM 977 CE2 TYR A 70 18.951 -12.517 13.934 1.00 0.00 C ATOM 978 CZ TYR A 70 19.739 -12.008 14.944 1.00 0.00 C ATOM 979 OH TYR A 70 20.191 -12.838 15.944 1.00 0.00 O ATOM 0 H TYR A 70 16.512 -7.625 10.609 1.00 0.00 H new ATOM 0 HA TYR A 70 17.257 -8.385 13.368 1.00 0.00 H new ATOM 0 HB2 TYR A 70 17.694 -9.988 11.148 1.00 0.00 H new ATOM 0 HB3 TYR A 70 19.184 -9.070 11.237 1.00 0.00 H new ATOM 0 HD1 TYR A 70 19.890 -8.795 13.963 1.00 0.00 H new ATOM 0 HD2 TYR A 70 17.883 -12.083 12.140 1.00 0.00 H new ATOM 0 HE1 TYR A 70 20.698 -10.275 15.749 1.00 0.00 H new ATOM 0 HE2 TYR A 70 18.687 -13.564 13.927 1.00 0.00 H new ATOM 0 HH TYR A 70 19.862 -13.748 15.788 1.00 0.00 H new ATOM 989 N GLY A 71 18.115 -5.988 13.148 1.00 0.00 N ATOM 990 CA GLY A 71 18.889 -4.761 13.198 1.00 0.00 C ATOM 991 C GLY A 71 18.943 -4.050 11.860 1.00 0.00 C ATOM 992 O GLY A 71 20.019 -3.683 11.388 1.00 0.00 O ATOM 0 H GLY A 71 17.333 -6.028 13.801 1.00 0.00 H new ATOM 0 HA2 GLY A 71 18.456 -4.093 13.943 1.00 0.00 H new ATOM 0 HA3 GLY A 71 19.903 -4.989 13.525 1.00 0.00 H new ATOM 996 N ASP A 72 17.779 -3.855 11.248 1.00 0.00 N ATOM 997 CA ASP A 72 17.695 -3.182 9.956 1.00 0.00 C ATOM 998 C ASP A 72 16.249 -3.101 9.482 1.00 0.00 C ATOM 999 O ASP A 72 15.895 -3.631 8.429 1.00 0.00 O ATOM 1000 CB ASP A 72 18.549 -3.911 8.915 1.00 0.00 C ATOM 1001 CG ASP A 72 19.226 -2.956 7.952 1.00 0.00 C ATOM 1002 OD1 ASP A 72 19.793 -1.946 8.417 1.00 0.00 O ATOM 1003 OD2 ASP A 72 19.190 -3.220 6.731 1.00 0.00 O ATOM 0 H ASP A 72 16.880 -4.154 11.626 1.00 0.00 H new ATOM 0 HA ASP A 72 18.077 -2.168 10.077 1.00 0.00 H new ATOM 0 HB2 ASP A 72 19.306 -4.507 9.424 1.00 0.00 H new ATOM 0 HB3 ASP A 72 17.921 -4.604 8.354 1.00 0.00 H new ATOM 1008 N LEU A 73 15.418 -2.433 10.271 1.00 0.00 N ATOM 1009 CA LEU A 73 14.006 -2.276 9.941 1.00 0.00 C ATOM 1010 C LEU A 73 13.714 -0.858 9.461 1.00 0.00 C ATOM 1011 O LEU A 73 13.643 0.076 10.260 1.00 0.00 O ATOM 1012 CB LEU A 73 13.136 -2.607 11.155 1.00 0.00 C ATOM 1013 CG LEU A 73 11.837 -3.348 10.837 1.00 0.00 C ATOM 1014 CD1 LEU A 73 10.992 -2.546 9.860 1.00 0.00 C ATOM 1015 CD2 LEU A 73 12.136 -4.730 10.275 1.00 0.00 C ATOM 0 H LEU A 73 15.697 -1.990 11.146 1.00 0.00 H new ATOM 0 HA LEU A 73 13.768 -2.969 9.134 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.721 -3.211 11.848 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.890 -1.679 11.671 1.00 0.00 H new ATOM 0 HG LEU A 73 11.273 -3.467 11.762 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.071 -3.088 9.645 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.749 -1.578 10.298 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.549 -2.396 8.935 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.200 -5.243 10.054 1.00 0.00 H new ATOM 0 HD22 LEU A 73 12.721 -4.632 9.360 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.702 -5.306 11.007 1.00 0.00 H new ATOM 1027 N ALA A 74 13.540 -0.704 8.151 1.00 0.00 N ATOM 1028 CA ALA A 74 13.251 0.596 7.560 1.00 0.00 C ATOM 1029 C ALA A 74 13.242 0.515 6.038 1.00 0.00 C ATOM 1030 O ALA A 74 14.196 0.927 5.379 1.00 0.00 O ATOM 1031 CB ALA A 74 14.261 1.634 8.030 1.00 0.00 C ATOM 0 H ALA A 74 13.595 -1.468 7.478 1.00 0.00 H new ATOM 0 HA ALA A 74 12.258 0.902 7.890 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.029 2.598 7.578 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.215 1.721 9.115 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.264 1.326 7.733 1.00 0.00 H new ATOM 1037 N ALA A 75 12.157 -0.018 5.485 1.00 0.00 N ATOM 1038 CA ALA A 75 12.024 -0.153 4.041 1.00 0.00 C ATOM 1039 C ALA A 75 11.163 0.966 3.463 1.00 0.00 C ATOM 1040 O ALA A 75 10.472 1.673 4.196 1.00 0.00 O ATOM 1041 CB ALA A 75 11.434 -1.512 3.691 1.00 0.00 C ATOM 0 H ALA A 75 11.358 -0.363 6.016 1.00 0.00 H new ATOM 0 HA ALA A 75 13.017 -0.076 3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.340 -1.600 2.609 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.089 -2.300 4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.450 -1.611 4.150 1.00 0.00 H new ATOM 1047 N ARG A 76 11.209 1.120 2.144 1.00 0.00 N ATOM 1048 CA ARG A 76 10.433 2.153 1.467 1.00 0.00 C ATOM 1049 C ARG A 76 9.064 1.621 1.058 1.00 0.00 C ATOM 1050 O ARG A 76 8.950 0.817 0.133 1.00 0.00 O ATOM 1051 CB ARG A 76 11.186 2.661 0.236 1.00 0.00 C ATOM 1052 CG ARG A 76 12.091 3.848 0.524 1.00 0.00 C ATOM 1053 CD ARG A 76 11.694 5.068 -0.294 1.00 0.00 C ATOM 1054 NE ARG A 76 11.842 6.308 0.464 1.00 0.00 N ATOM 1055 CZ ARG A 76 11.888 7.516 -0.093 1.00 0.00 C ATOM 1056 NH1 ARG A 76 11.798 7.652 -1.411 1.00 0.00 N ATOM 1057 NH2 ARG A 76 12.024 8.592 0.669 1.00 0.00 N ATOM 0 H ARG A 76 11.775 0.543 1.522 1.00 0.00 H new ATOM 0 HA ARG A 76 10.289 2.980 2.162 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.786 1.848 -0.174 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.464 2.943 -0.531 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.046 4.091 1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.124 3.581 0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.309 5.117 -1.193 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.659 4.964 -0.621 1.00 0.00 H new ATOM 0 HE ARG A 76 11.914 6.244 1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.693 6.828 -2.003 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.834 8.581 -1.832 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.093 8.494 1.682 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.059 9.518 0.242 1.00 0.00 H new ATOM 1071 N LEU A 77 8.026 2.074 1.754 1.00 0.00 N ATOM 1072 CA LEU A 77 6.664 1.643 1.464 1.00 0.00 C ATOM 1073 C LEU A 77 6.275 1.993 0.031 1.00 0.00 C ATOM 1074 O LEU A 77 6.513 3.107 -0.433 1.00 0.00 O ATOM 1075 CB LEU A 77 5.680 2.289 2.441 1.00 0.00 C ATOM 1076 CG LEU A 77 5.556 1.588 3.794 1.00 0.00 C ATOM 1077 CD1 LEU A 77 4.804 2.466 4.782 1.00 0.00 C ATOM 1078 CD2 LEU A 77 4.860 0.245 3.635 1.00 0.00 C ATOM 0 H LEU A 77 8.103 2.740 2.523 1.00 0.00 H new ATOM 0 HA LEU A 77 6.623 0.560 1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.985 3.321 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.696 2.320 1.974 1.00 0.00 H new ATOM 0 HG LEU A 77 6.558 1.412 4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.725 1.951 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.342 3.404 4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.805 2.673 4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.780 -0.241 4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.863 0.399 3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.438 -0.387 2.960 1.00 0.00 H new ATOM 1090 N GLY A 78 5.672 1.032 -0.662 1.00 0.00 N ATOM 1091 CA GLY A 78 5.256 1.256 -2.034 1.00 0.00 C ATOM 1092 C GLY A 78 3.779 0.983 -2.240 1.00 0.00 C ATOM 1093 O GLY A 78 3.058 0.686 -1.287 1.00 0.00 O ATOM 0 H GLY A 78 5.464 0.102 -0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.475 2.286 -2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.837 0.615 -2.697 1.00 0.00 H new ATOM 1097 N TYR A 79 3.328 1.080 -3.486 1.00 0.00 N ATOM 1098 CA TYR A 79 1.927 0.840 -3.811 1.00 0.00 C ATOM 1099 C TYR A 79 1.792 -0.248 -4.871 1.00 0.00 C ATOM 1100 O TYR A 79 2.515 -0.250 -5.868 1.00 0.00 O ATOM 1101 CB TYR A 79 1.264 2.130 -4.295 1.00 0.00 C ATOM 1102 CG TYR A 79 0.597 2.917 -3.190 1.00 0.00 C ATOM 1103 CD1 TYR A 79 1.312 3.843 -2.441 1.00 0.00 C ATOM 1104 CD2 TYR A 79 -0.748 2.731 -2.894 1.00 0.00 C ATOM 1105 CE1 TYR A 79 0.706 4.563 -1.429 1.00 0.00 C ATOM 1106 CE2 TYR A 79 -1.361 3.447 -1.883 1.00 0.00 C ATOM 1107 CZ TYR A 79 -0.630 4.361 -1.154 1.00 0.00 C ATOM 1108 OH TYR A 79 -1.237 5.076 -0.148 1.00 0.00 O ATOM 0 H TYR A 79 3.912 1.323 -4.287 1.00 0.00 H new ATOM 0 HA TYR A 79 1.423 0.502 -2.906 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.015 2.757 -4.774 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.522 1.885 -5.055 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.359 4.003 -2.653 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.323 2.016 -3.463 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.276 5.280 -0.857 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.407 3.291 -1.665 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.802 5.950 -0.059 1.00 0.00 H new ATOM 1118 N PHE A 80 0.868 -1.176 -4.645 1.00 0.00 N ATOM 1119 CA PHE A 80 0.644 -2.274 -5.578 1.00 0.00 C ATOM 1120 C PHE A 80 -0.744 -2.881 -5.387 1.00 0.00 C ATOM 1121 O PHE A 80 -1.305 -2.836 -4.291 1.00 0.00 O ATOM 1122 CB PHE A 80 1.709 -3.352 -5.379 1.00 0.00 C ATOM 1123 CG PHE A 80 1.896 -3.733 -3.939 1.00 0.00 C ATOM 1124 CD1 PHE A 80 0.891 -4.392 -3.249 1.00 0.00 C ATOM 1125 CD2 PHE A 80 3.071 -3.424 -3.273 1.00 0.00 C ATOM 1126 CE1 PHE A 80 1.054 -4.736 -1.921 1.00 0.00 C ATOM 1127 CE2 PHE A 80 3.241 -3.768 -1.945 1.00 0.00 C ATOM 1128 CZ PHE A 80 2.230 -4.423 -1.269 1.00 0.00 C ATOM 0 H PHE A 80 0.263 -1.190 -3.824 1.00 0.00 H new ATOM 0 HA PHE A 80 0.710 -1.878 -6.591 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.433 -4.238 -5.951 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.658 -2.996 -5.781 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.030 -4.640 -3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.863 -2.909 -3.797 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.263 -5.249 -1.394 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.163 -3.525 -1.437 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.359 -4.690 -0.231 1.00 0.00 H new ATOM 1138 N PRO A 81 -1.316 -3.466 -6.453 1.00 0.00 N ATOM 1139 CA PRO A 81 -2.641 -4.092 -6.395 1.00 0.00 C ATOM 1140 C PRO A 81 -2.663 -5.306 -5.475 1.00 0.00 C ATOM 1141 O PRO A 81 -1.690 -6.056 -5.397 1.00 0.00 O ATOM 1142 CB PRO A 81 -2.905 -4.517 -7.843 1.00 0.00 C ATOM 1143 CG PRO A 81 -1.555 -4.616 -8.466 1.00 0.00 C ATOM 1144 CD PRO A 81 -0.715 -3.569 -7.794 1.00 0.00 C ATOM 0 HA PRO A 81 -3.393 -3.412 -5.995 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.430 -5.471 -7.885 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.527 -3.787 -8.362 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.130 -5.609 -8.322 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.607 -4.444 -9.541 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.333 -3.864 -7.744 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -0.753 -2.619 -8.327 1.00 0.00 H new ATOM 1152 N SER A 82 -3.777 -5.493 -4.780 1.00 0.00 N ATOM 1153 CA SER A 82 -3.926 -6.619 -3.862 1.00 0.00 C ATOM 1154 C SER A 82 -4.192 -7.915 -4.624 1.00 0.00 C ATOM 1155 O SER A 82 -3.914 -9.006 -4.128 1.00 0.00 O ATOM 1156 CB SER A 82 -5.063 -6.351 -2.875 1.00 0.00 C ATOM 1157 OG SER A 82 -4.938 -7.164 -1.720 1.00 0.00 O ATOM 0 H SER A 82 -4.591 -4.881 -4.833 1.00 0.00 H new ATOM 0 HA SER A 82 -2.993 -6.730 -3.310 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.058 -5.300 -2.586 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.021 -6.544 -3.358 1.00 0.00 H new ATOM 0 HG SER A 82 -4.921 -6.597 -0.921 1.00 0.00 H new ATOM 1163 N SER A 83 -4.741 -7.788 -5.827 1.00 0.00 N ATOM 1164 CA SER A 83 -5.053 -8.945 -6.653 1.00 0.00 C ATOM 1165 C SER A 83 -3.800 -9.756 -6.979 1.00 0.00 C ATOM 1166 O SER A 83 -3.889 -10.941 -7.305 1.00 0.00 O ATOM 1167 CB SER A 83 -5.735 -8.501 -7.948 1.00 0.00 C ATOM 1168 OG SER A 83 -6.108 -9.617 -8.737 1.00 0.00 O ATOM 0 H SER A 83 -4.979 -6.892 -6.252 1.00 0.00 H new ATOM 0 HA SER A 83 -5.731 -9.583 -6.086 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.618 -7.907 -7.712 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.061 -7.859 -8.516 1.00 0.00 H new ATOM 0 HG SER A 83 -6.543 -9.306 -9.558 1.00 0.00 H new ATOM 1174 N ILE A 84 -2.635 -9.116 -6.903 1.00 0.00 N ATOM 1175 CA ILE A 84 -1.377 -9.791 -7.204 1.00 0.00 C ATOM 1176 C ILE A 84 -0.668 -10.265 -5.933 1.00 0.00 C ATOM 1177 O ILE A 84 0.551 -10.423 -5.915 1.00 0.00 O ATOM 1178 CB ILE A 84 -0.433 -8.875 -8.015 1.00 0.00 C ATOM 1179 CG1 ILE A 84 0.625 -9.710 -8.739 1.00 0.00 C ATOM 1180 CG2 ILE A 84 0.222 -7.835 -7.117 1.00 0.00 C ATOM 1181 CD1 ILE A 84 0.043 -10.758 -9.661 1.00 0.00 C ATOM 0 H ILE A 84 -2.537 -8.136 -6.637 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.626 -10.666 -7.805 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.027 -8.346 -8.760 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.267 -9.045 -9.317 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.258 -10.200 -7.999 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.881 -7.203 -7.713 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.548 -7.219 -6.652 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.802 -8.337 -6.343 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.851 -11.311 -10.140 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.576 -11.446 -9.085 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.567 -10.273 -10.424 1.00 0.00 H new ATOM 1193 N VAL A 85 -1.444 -10.499 -4.879 1.00 0.00 N ATOM 1194 CA VAL A 85 -0.897 -10.964 -3.607 1.00 0.00 C ATOM 1195 C VAL A 85 -1.902 -11.868 -2.896 1.00 0.00 C ATOM 1196 O VAL A 85 -2.979 -12.146 -3.423 1.00 0.00 O ATOM 1197 CB VAL A 85 -0.537 -9.786 -2.676 1.00 0.00 C ATOM 1198 CG1 VAL A 85 0.848 -9.244 -3.002 1.00 0.00 C ATOM 1199 CG2 VAL A 85 -1.584 -8.686 -2.767 1.00 0.00 C ATOM 0 H VAL A 85 -2.456 -10.374 -4.880 1.00 0.00 H new ATOM 0 HA VAL A 85 0.013 -11.521 -3.832 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.523 -10.156 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.081 -8.415 -2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.588 -10.034 -2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.868 -8.895 -4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.310 -7.867 -2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.638 -8.319 -3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.555 -9.083 -2.472 1.00 0.00 H new ATOM 1209 N ARG A 86 -1.550 -12.325 -1.698 1.00 0.00 N ATOM 1210 CA ARG A 86 -2.428 -13.198 -0.925 1.00 0.00 C ATOM 1211 C ARG A 86 -2.340 -12.884 0.566 1.00 0.00 C ATOM 1212 O ARG A 86 -1.334 -13.174 1.213 1.00 0.00 O ATOM 1213 CB ARG A 86 -2.068 -14.663 -1.171 1.00 0.00 C ATOM 1214 CG ARG A 86 -3.270 -15.593 -1.179 1.00 0.00 C ATOM 1215 CD ARG A 86 -2.994 -16.851 -1.984 1.00 0.00 C ATOM 1216 NE ARG A 86 -2.314 -17.872 -1.189 1.00 0.00 N ATOM 1217 CZ ARG A 86 -2.260 -19.159 -1.523 1.00 0.00 C ATOM 1218 NH1 ARG A 86 -2.844 -19.587 -2.636 1.00 0.00 N ATOM 1219 NH2 ARG A 86 -1.622 -20.021 -0.743 1.00 0.00 N ATOM 0 H ARG A 86 -0.664 -12.106 -1.242 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.452 -13.021 -1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.549 -14.745 -2.126 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.371 -14.991 -0.400 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.529 -15.864 -0.155 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.131 -15.073 -1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.934 -17.253 -2.362 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.383 -16.600 -2.851 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.853 -17.581 -0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.337 -18.928 -3.239 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.800 -20.574 -2.888 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.172 -19.698 0.114 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.581 -21.007 -1.000 1.00 0.00 H new ATOM 1233 N GLU A 87 -3.401 -12.293 1.106 1.00 0.00 N ATOM 1234 CA GLU A 87 -3.443 -11.944 2.522 1.00 0.00 C ATOM 1235 C GLU A 87 -3.664 -13.181 3.383 1.00 0.00 C ATOM 1236 O GLU A 87 -4.664 -13.883 3.235 1.00 0.00 O ATOM 1237 CB GLU A 87 -4.550 -10.922 2.786 1.00 0.00 C ATOM 1238 CG GLU A 87 -4.233 -9.531 2.260 1.00 0.00 C ATOM 1239 CD GLU A 87 -5.395 -8.570 2.418 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -6.408 -8.742 1.707 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -5.292 -7.647 3.253 1.00 0.00 O ATOM 0 H GLU A 87 -4.243 -12.046 0.585 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.481 -11.505 2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.474 -11.273 2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.730 -10.863 3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.365 -9.136 2.788 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.962 -9.598 1.206 1.00 0.00 H new ATOM 1248 N ASP A 88 -2.722 -13.441 4.283 1.00 0.00 N ATOM 1249 CA ASP A 88 -2.810 -14.593 5.170 1.00 0.00 C ATOM 1250 C ASP A 88 -2.941 -14.149 6.618 1.00 0.00 C ATOM 1251 O ASP A 88 -3.813 -14.616 7.351 1.00 0.00 O ATOM 1252 CB ASP A 88 -1.580 -15.489 5.000 1.00 0.00 C ATOM 1253 CG ASP A 88 -1.944 -16.888 4.542 1.00 0.00 C ATOM 1254 OD1 ASP A 88 -2.912 -17.459 5.087 1.00 0.00 O ATOM 1255 OD2 ASP A 88 -1.260 -17.413 3.640 1.00 0.00 O ATOM 0 H ASP A 88 -1.888 -12.869 4.417 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.700 -15.163 4.904 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.902 -15.037 4.276 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.043 -15.548 5.947 1.00 0.00 H new ATOM 1260 N GLN A 89 -2.060 -13.251 7.021 1.00 0.00 N ATOM 1261 CA GLN A 89 -2.048 -12.736 8.372 1.00 0.00 C ATOM 1262 C GLN A 89 -2.609 -11.320 8.413 1.00 0.00 C ATOM 1263 O GLN A 89 -2.546 -10.592 7.422 1.00 0.00 O ATOM 1264 CB GLN A 89 -0.617 -12.748 8.877 1.00 0.00 C ATOM 1265 CG GLN A 89 -0.492 -12.641 10.388 1.00 0.00 C ATOM 1266 CD GLN A 89 0.941 -12.771 10.866 1.00 0.00 C ATOM 1267 OE1 GLN A 89 1.482 -11.862 11.494 1.00 0.00 O ATOM 1268 NE2 GLN A 89 1.563 -13.906 10.569 1.00 0.00 N ATOM 0 H GLN A 89 -1.335 -12.861 6.419 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.675 -13.361 9.008 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.134 -13.668 8.547 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.074 -11.921 8.419 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -0.894 -11.682 10.715 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.098 -13.417 10.855 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.075 -14.633 10.046 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.529 -14.051 10.864 1.00 0.00 H new ATOM 1277 N THR A 90 -3.157 -10.931 9.556 1.00 0.00 N ATOM 1278 CA THR A 90 -3.725 -9.597 9.703 1.00 0.00 C ATOM 1279 C THR A 90 -3.369 -8.977 11.046 1.00 0.00 C ATOM 1280 O THR A 90 -3.196 -9.674 12.046 1.00 0.00 O ATOM 1281 CB THR A 90 -5.239 -9.624 9.535 1.00 0.00 C ATOM 1282 OG1 THR A 90 -5.793 -10.792 10.112 1.00 0.00 O ATOM 1283 CG2 THR A 90 -5.682 -9.564 8.091 1.00 0.00 C ATOM 0 H THR A 90 -3.221 -11.515 10.390 1.00 0.00 H new ATOM 0 HA THR A 90 -3.291 -8.981 8.916 1.00 0.00 H new ATOM 0 HB THR A 90 -5.599 -8.730 10.044 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.766 -10.786 9.993 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.771 -9.587 8.043 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.318 -8.642 7.637 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.277 -10.419 7.550 1.00 0.00 H new ATOM 1291 N LEU A 91 -3.270 -7.657 11.048 1.00 0.00 N ATOM 1292 CA LEU A 91 -2.943 -6.906 12.251 1.00 0.00 C ATOM 1293 C LEU A 91 -3.441 -5.472 12.123 1.00 0.00 C ATOM 1294 O LEU A 91 -2.747 -4.524 12.490 1.00 0.00 O ATOM 1295 CB LEU A 91 -1.432 -6.921 12.491 1.00 0.00 C ATOM 1296 CG LEU A 91 -1.009 -6.915 13.961 1.00 0.00 C ATOM 1297 CD1 LEU A 91 0.507 -6.911 14.080 1.00 0.00 C ATOM 1298 CD2 LEU A 91 -1.605 -5.715 14.681 1.00 0.00 C ATOM 0 H LEU A 91 -3.413 -7.078 10.221 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.436 -7.375 13.103 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.012 -7.805 12.012 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.993 -6.053 11.999 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.387 -7.822 14.432 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.789 -6.907 15.133 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.912 -7.801 13.599 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.908 -6.022 13.593 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.294 -5.726 15.726 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.256 -4.797 14.208 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.693 -5.761 14.626 1.00 0.00 H new ATOM 1310 N LYS A 92 -4.650 -5.323 11.588 1.00 0.00 N ATOM 1311 CA LYS A 92 -5.248 -4.003 11.397 1.00 0.00 C ATOM 1312 C LYS A 92 -6.116 -3.602 12.591 1.00 0.00 C ATOM 1313 O LYS A 92 -7.230 -4.099 12.751 1.00 0.00 O ATOM 1314 CB LYS A 92 -6.086 -3.959 10.108 1.00 0.00 C ATOM 1315 CG LYS A 92 -6.700 -5.294 9.702 1.00 0.00 C ATOM 1316 CD LYS A 92 -7.648 -5.828 10.764 1.00 0.00 C ATOM 1317 CE LYS A 92 -8.339 -7.104 10.306 1.00 0.00 C ATOM 1318 NZ LYS A 92 -8.278 -8.171 11.343 1.00 0.00 N ATOM 0 H LYS A 92 -5.235 -6.099 11.279 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.429 -3.289 11.312 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.886 -3.230 10.236 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.456 -3.601 9.293 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.238 -5.175 8.762 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.906 -6.020 9.526 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.094 -6.023 11.682 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.397 -5.071 10.998 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.381 -6.888 10.068 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -7.871 -7.462 9.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -8.760 -9.024 10.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.284 -8.396 11.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -8.747 -7.840 12.210 1.00 0.00 H new ATOM 1332 N PRO A 93 -5.624 -2.686 13.445 1.00 0.00 N ATOM 1333 CA PRO A 93 -6.374 -2.221 14.612 1.00 0.00 C ATOM 1334 C PRO A 93 -7.506 -1.274 14.224 1.00 0.00 C ATOM 1335 O PRO A 93 -8.506 -1.159 14.933 1.00 0.00 O ATOM 1336 CB PRO A 93 -5.319 -1.485 15.437 1.00 0.00 C ATOM 1337 CG PRO A 93 -4.338 -0.991 14.431 1.00 0.00 C ATOM 1338 CD PRO A 93 -4.308 -2.024 13.336 1.00 0.00 C ATOM 0 HA PRO A 93 -6.855 -3.040 15.147 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.759 -0.662 16.000 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.846 -2.149 16.160 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.636 -0.018 14.041 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.351 -0.867 14.877 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.170 -1.566 12.357 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.491 -2.732 13.475 1.00 0.00 H new ATOM 1346 N GLY A 94 -7.340 -0.600 13.088 1.00 0.00 N ATOM 1347 CA GLY A 94 -8.352 0.327 12.616 1.00 0.00 C ATOM 1348 C GLY A 94 -8.502 0.298 11.107 1.00 0.00 C ATOM 1349 O GLY A 94 -7.640 -0.227 10.402 1.00 0.00 O ATOM 0 H GLY A 94 -6.521 -0.681 12.486 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.308 0.083 13.078 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.093 1.337 12.934 1.00 0.00 H new ATOM 1353 N LYS A 95 -9.590 0.873 10.609 1.00 0.00 N ATOM 1354 CA LYS A 95 -9.846 0.923 9.185 1.00 0.00 C ATOM 1355 C LYS A 95 -10.676 2.152 8.833 1.00 0.00 C ATOM 1356 O LYS A 95 -11.688 2.056 8.138 1.00 0.00 O ATOM 1357 CB LYS A 95 -10.554 -0.351 8.716 1.00 0.00 C ATOM 1358 CG LYS A 95 -11.661 -0.812 9.650 1.00 0.00 C ATOM 1359 CD LYS A 95 -12.899 -1.242 8.879 1.00 0.00 C ATOM 1360 CE LYS A 95 -13.906 -0.110 8.764 1.00 0.00 C ATOM 1361 NZ LYS A 95 -14.206 0.504 10.088 1.00 0.00 N ATOM 0 H LYS A 95 -10.311 1.313 11.180 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.888 0.993 8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.974 -0.179 7.725 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.819 -1.149 8.616 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.303 -1.643 10.258 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.920 -0.005 10.335 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.610 -1.576 7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.362 -2.093 9.378 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.518 0.653 8.089 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -14.828 -0.488 8.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -15.216 0.746 10.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.974 -0.171 10.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.637 1.366 10.208 1.00 0.00 H new ATOM 1375 N VAL A 96 -10.244 3.305 9.324 1.00 0.00 N ATOM 1376 CA VAL A 96 -10.945 4.555 9.072 1.00 0.00 C ATOM 1377 C VAL A 96 -10.406 5.236 7.824 1.00 0.00 C ATOM 1378 O VAL A 96 -9.202 5.232 7.570 1.00 0.00 O ATOM 1379 CB VAL A 96 -10.826 5.525 10.262 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -11.826 6.663 10.123 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -11.025 4.789 11.579 1.00 0.00 C ATOM 0 H VAL A 96 -9.408 3.400 9.901 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.996 4.303 8.928 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.822 5.949 10.261 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.728 7.339 10.972 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.630 7.209 9.200 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.837 6.257 10.097 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.937 5.493 12.406 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -12.015 4.333 11.595 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.266 4.013 11.681 1.00 0.00 H new ATOM 1391 N ASP A 97 -11.306 5.822 7.049 1.00 0.00 N ATOM 1392 CA ASP A 97 -10.929 6.509 5.828 1.00 0.00 C ATOM 1393 C ASP A 97 -10.247 7.832 6.140 1.00 0.00 C ATOM 1394 O ASP A 97 -10.502 8.453 7.172 1.00 0.00 O ATOM 1395 CB ASP A 97 -12.159 6.748 4.949 1.00 0.00 C ATOM 1396 CG ASP A 97 -11.799 7.337 3.599 1.00 0.00 C ATOM 1397 OD1 ASP A 97 -11.410 6.563 2.699 1.00 0.00 O ATOM 1398 OD2 ASP A 97 -11.906 8.571 3.441 1.00 0.00 O ATOM 0 H ASP A 97 -12.306 5.834 7.247 1.00 0.00 H new ATOM 0 HA ASP A 97 -10.225 5.876 5.287 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.686 5.805 4.802 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.845 7.420 5.464 1.00 0.00 H new ATOM 1403 N VAL A 98 -9.373 8.247 5.239 1.00 0.00 N ATOM 1404 CA VAL A 98 -8.633 9.491 5.397 1.00 0.00 C ATOM 1405 C VAL A 98 -8.411 10.168 4.050 1.00 0.00 C ATOM 1406 O VAL A 98 -7.569 9.740 3.260 1.00 0.00 O ATOM 1407 CB VAL A 98 -7.269 9.246 6.068 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -6.593 10.565 6.406 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -7.436 8.387 7.312 1.00 0.00 C ATOM 0 H VAL A 98 -9.156 7.737 4.383 1.00 0.00 H new ATOM 0 HA VAL A 98 -9.232 10.142 6.034 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.630 8.710 5.367 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.631 10.370 6.879 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.438 11.139 5.492 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -7.225 11.133 7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.463 8.223 7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.093 8.894 8.019 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.872 7.427 7.036 1.00 0.00 H new ATOM 1419 N LYS A 99 -9.172 11.225 3.792 1.00 0.00 N ATOM 1420 CA LYS A 99 -9.058 11.959 2.538 1.00 0.00 C ATOM 1421 C LYS A 99 -7.743 12.730 2.475 1.00 0.00 C ATOM 1422 O LYS A 99 -7.655 13.866 2.941 1.00 0.00 O ATOM 1423 CB LYS A 99 -10.235 12.923 2.380 1.00 0.00 C ATOM 1424 CG LYS A 99 -10.452 13.820 3.588 1.00 0.00 C ATOM 1425 CD LYS A 99 -11.573 13.302 4.477 1.00 0.00 C ATOM 1426 CE LYS A 99 -12.791 14.211 4.426 1.00 0.00 C ATOM 1427 NZ LYS A 99 -13.727 13.827 3.335 1.00 0.00 N ATOM 0 H LYS A 99 -9.874 11.593 4.434 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.074 11.238 1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.069 13.545 1.501 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.143 12.348 2.197 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.529 13.884 4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.689 14.830 3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.854 12.297 4.161 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.218 13.225 5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.313 14.172 5.382 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.468 15.242 4.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.543 14.471 3.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.237 13.889 2.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.056 12.852 3.487 1.00 0.00 H new ATOM 1441 N THR A 100 -6.724 12.105 1.896 1.00 0.00 N ATOM 1442 CA THR A 100 -5.413 12.729 1.771 1.00 0.00 C ATOM 1443 C THR A 100 -5.392 13.725 0.615 1.00 0.00 C ATOM 1444 O THR A 100 -6.316 13.771 -0.196 1.00 0.00 O ATOM 1445 CB THR A 100 -4.339 11.659 1.568 1.00 0.00 C ATOM 1446 OG1 THR A 100 -3.044 12.211 1.726 1.00 0.00 O ATOM 1447 CG2 THR A 100 -4.395 10.997 0.207 1.00 0.00 C ATOM 0 H THR A 100 -6.781 11.165 1.505 1.00 0.00 H new ATOM 0 HA THR A 100 -5.203 13.273 2.692 1.00 0.00 H new ATOM 0 HB THR A 100 -4.542 10.903 2.327 1.00 0.00 H new ATOM 0 HG1 THR A 100 -2.371 11.511 1.594 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.605 10.250 0.133 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.364 10.515 0.076 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.256 11.749 -0.569 1.00 0.00 H new ATOM 1455 N ASP A 101 -4.330 14.521 0.546 1.00 0.00 N ATOM 1456 CA ASP A 101 -4.188 15.516 -0.511 1.00 0.00 C ATOM 1457 C ASP A 101 -3.894 14.848 -1.851 1.00 0.00 C ATOM 1458 O ASP A 101 -3.511 13.679 -1.902 1.00 0.00 O ATOM 1459 CB ASP A 101 -3.073 16.504 -0.165 1.00 0.00 C ATOM 1460 CG ASP A 101 -3.277 17.154 1.190 1.00 0.00 C ATOM 1461 OD1 ASP A 101 -4.444 17.398 1.562 1.00 0.00 O ATOM 1462 OD2 ASP A 101 -2.269 17.419 1.878 1.00 0.00 O ATOM 0 H ASP A 101 -3.555 14.497 1.209 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.130 16.058 -0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.115 15.985 -0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.025 17.277 -0.932 1.00 0.00 H new ATOM 1467 N LYS A 102 -4.078 15.597 -2.933 1.00 0.00 N ATOM 1468 CA LYS A 102 -3.835 15.077 -4.273 1.00 0.00 C ATOM 1469 C LYS A 102 -2.369 15.244 -4.663 1.00 0.00 C ATOM 1470 O LYS A 102 -1.675 14.265 -4.939 1.00 0.00 O ATOM 1471 CB LYS A 102 -4.733 15.791 -5.289 1.00 0.00 C ATOM 1472 CG LYS A 102 -5.705 14.863 -5.998 1.00 0.00 C ATOM 1473 CD LYS A 102 -6.167 15.447 -7.324 1.00 0.00 C ATOM 1474 CE LYS A 102 -7.669 15.297 -7.506 1.00 0.00 C ATOM 1475 NZ LYS A 102 -8.030 14.993 -8.918 1.00 0.00 N ATOM 0 H LYS A 102 -4.395 16.566 -2.908 1.00 0.00 H new ATOM 0 HA LYS A 102 -4.072 14.013 -4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.296 16.572 -4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.106 16.284 -6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.228 13.898 -6.171 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.569 14.682 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.897 16.502 -7.372 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.649 14.948 -8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -8.035 14.501 -6.858 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -8.166 16.216 -7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -9.062 14.898 -9.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -7.703 15.765 -9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -7.577 14.103 -9.208 1.00 0.00 H new ATOM 1489 N TRP A 103 -1.907 16.489 -4.688 1.00 0.00 N ATOM 1490 CA TRP A 103 -0.526 16.790 -5.048 1.00 0.00 C ATOM 1491 C TRP A 103 0.468 16.023 -4.181 1.00 0.00 C ATOM 1492 O TRP A 103 1.620 15.828 -4.567 1.00 0.00 O ATOM 1493 CB TRP A 103 -0.279 18.283 -4.936 1.00 0.00 C ATOM 1494 CG TRP A 103 -0.449 18.946 -6.245 1.00 0.00 C ATOM 1495 CD1 TRP A 103 -1.400 19.848 -6.585 1.00 0.00 C ATOM 1496 CD2 TRP A 103 0.342 18.728 -7.414 1.00 0.00 C ATOM 1497 NE1 TRP A 103 -1.239 20.210 -7.887 1.00 0.00 N ATOM 1498 CE2 TRP A 103 -0.186 19.547 -8.412 1.00 0.00 C ATOM 1499 CE3 TRP A 103 1.445 17.929 -7.714 1.00 0.00 C ATOM 1500 CZ2 TRP A 103 0.329 19.607 -9.685 1.00 0.00 C ATOM 1501 CZ3 TRP A 103 1.972 17.981 -8.993 1.00 0.00 C ATOM 1502 CH2 TRP A 103 1.412 18.820 -9.969 1.00 0.00 C ATOM 0 H TRP A 103 -2.471 17.309 -4.462 1.00 0.00 H new ATOM 0 HA TRP A 103 -0.372 16.471 -6.079 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -0.969 18.716 -4.212 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.729 18.462 -4.562 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -2.168 20.223 -5.925 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -1.823 20.879 -8.389 1.00 0.00 H new ATOM 0 HE3 TRP A 103 1.879 17.284 -6.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -0.105 20.252 -10.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 2.825 17.368 -9.243 1.00 0.00 H new ATOM 0 HH2 TRP A 103 1.842 18.845 -10.959 1.00 0.00 H new ATOM 1513 N ASP A 104 0.016 15.593 -3.009 1.00 0.00 N ATOM 1514 CA ASP A 104 0.867 14.848 -2.085 1.00 0.00 C ATOM 1515 C ASP A 104 1.502 13.642 -2.774 1.00 0.00 C ATOM 1516 O ASP A 104 2.700 13.639 -3.061 1.00 0.00 O ATOM 1517 CB ASP A 104 0.054 14.390 -0.870 1.00 0.00 C ATOM 1518 CG ASP A 104 0.478 15.093 0.405 1.00 0.00 C ATOM 1519 OD1 ASP A 104 1.698 15.255 0.616 1.00 0.00 O ATOM 1520 OD2 ASP A 104 -0.411 15.479 1.193 1.00 0.00 O ATOM 0 H ASP A 104 -0.935 15.747 -2.675 1.00 0.00 H new ATOM 0 HA ASP A 104 1.666 15.511 -1.752 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.004 14.579 -1.052 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.169 13.313 -0.744 1.00 0.00 H new ATOM 1525 N PHE A 105 0.693 12.621 -3.035 1.00 0.00 N ATOM 1526 CA PHE A 105 1.179 11.411 -3.689 1.00 0.00 C ATOM 1527 C PHE A 105 1.151 11.564 -5.208 1.00 0.00 C ATOM 1528 O PHE A 105 0.085 11.568 -5.823 1.00 0.00 O ATOM 1529 CB PHE A 105 0.336 10.205 -3.267 1.00 0.00 C ATOM 1530 CG PHE A 105 1.066 9.252 -2.364 1.00 0.00 C ATOM 1531 CD1 PHE A 105 2.005 8.372 -2.879 1.00 0.00 C ATOM 1532 CD2 PHE A 105 0.814 9.236 -1.002 1.00 0.00 C ATOM 1533 CE1 PHE A 105 2.678 7.493 -2.051 1.00 0.00 C ATOM 1534 CE2 PHE A 105 1.484 8.360 -0.169 1.00 0.00 C ATOM 1535 CZ PHE A 105 2.417 7.487 -0.695 1.00 0.00 C ATOM 0 H PHE A 105 -0.300 12.607 -2.804 1.00 0.00 H new ATOM 0 HA PHE A 105 2.211 11.249 -3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -0.562 10.559 -2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 105 0.009 9.670 -4.159 1.00 0.00 H new ATOM 0 HD1 PHE A 105 2.213 8.373 -3.939 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.085 9.916 -0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 105 3.407 6.812 -2.464 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.279 8.358 0.891 1.00 0.00 H new ATOM 0 HZ PHE A 105 2.941 6.801 -0.046 1.00 0.00 H new ATOM 1545 N TYR A 106 2.332 11.689 -5.805 1.00 0.00 N ATOM 1546 CA TYR A 106 2.446 11.842 -7.250 1.00 0.00 C ATOM 1547 C TYR A 106 3.822 11.399 -7.736 1.00 0.00 C ATOM 1548 O TYR A 106 4.823 11.576 -7.042 1.00 0.00 O ATOM 1549 CB TYR A 106 2.193 13.296 -7.651 1.00 0.00 C ATOM 1550 CG TYR A 106 1.389 13.445 -8.923 1.00 0.00 C ATOM 1551 CD1 TYR A 106 0.010 13.276 -8.918 1.00 0.00 C ATOM 1552 CD2 TYR A 106 2.008 13.755 -10.127 1.00 0.00 C ATOM 1553 CE1 TYR A 106 -0.729 13.411 -10.079 1.00 0.00 C ATOM 1554 CE2 TYR A 106 1.276 13.892 -11.291 1.00 0.00 C ATOM 1555 CZ TYR A 106 -0.092 13.719 -11.262 1.00 0.00 C ATOM 1556 OH TYR A 106 -0.824 13.854 -12.419 1.00 0.00 O ATOM 0 H TYR A 106 3.224 11.687 -5.310 1.00 0.00 H new ATOM 0 HA TYR A 106 1.694 11.208 -7.719 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.669 13.802 -6.840 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.151 13.801 -7.776 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.493 13.035 -7.993 1.00 0.00 H new ATOM 0 HD2 TYR A 106 3.079 13.891 -10.154 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.800 13.276 -10.059 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.773 14.133 -12.219 1.00 0.00 H new ATOM 0 HH TYR A 106 -0.224 14.073 -13.162 1.00 0.00 H new ATOM 1566 N CYS A 107 3.866 10.823 -8.934 1.00 0.00 N ATOM 1567 CA CYS A 107 5.121 10.355 -9.512 1.00 0.00 C ATOM 1568 C CYS A 107 6.113 11.506 -9.661 1.00 0.00 C ATOM 1569 O CYS A 107 5.766 12.577 -10.158 1.00 0.00 O ATOM 1570 CB CYS A 107 4.869 9.701 -10.872 1.00 0.00 C ATOM 1571 SG CYS A 107 5.104 7.893 -10.882 1.00 0.00 S ATOM 0 H CYS A 107 3.047 10.669 -9.523 1.00 0.00 H new ATOM 0 HA CYS A 107 5.550 9.615 -8.837 1.00 0.00 H new ATOM 0 HB2 CYS A 107 3.851 9.926 -11.189 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.538 10.148 -11.608 1.00 0.00 H new ATOM 1576 N GLN A 108 7.348 11.277 -9.225 1.00 0.00 N ATOM 1577 CA GLN A 108 8.390 12.294 -9.311 1.00 0.00 C ATOM 1578 C GLN A 108 8.005 13.536 -8.514 1.00 0.00 C ATOM 1579 O GLN A 108 7.157 13.415 -7.605 1.00 0.00 O ATOM 1580 CB GLN A 108 8.647 12.669 -10.772 1.00 0.00 C ATOM 1581 CG GLN A 108 9.340 11.576 -11.568 1.00 0.00 C ATOM 1582 CD GLN A 108 10.851 11.633 -11.444 1.00 0.00 C ATOM 1583 OE1 GLN A 108 11.388 11.885 -10.366 1.00 0.00 O ATOM 1584 NE2 GLN A 108 11.544 11.400 -12.553 1.00 0.00 N ATOM 1585 OXT GLN A 108 8.555 14.618 -8.806 1.00 0.00 O ATOM 0 H GLN A 108 7.651 10.397 -8.809 1.00 0.00 H new ATOM 0 HA GLN A 108 9.303 11.880 -8.884 1.00 0.00 H new ATOM 0 HB2 GLN A 108 7.697 12.908 -11.250 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.256 13.572 -10.805 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.987 10.603 -11.226 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.062 11.664 -12.618 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.057 11.195 -13.425 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.563 11.426 -12.532 1.00 0.00 H new TER 1594 GLN A 108