USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 622 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 13 SER OG : rot -148:sc= -0.394 USER MOD Set 1.2: A 83 HIS : no HE2:sc= 0.991 K(o=0.6,f=-7!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -130:sc= 0.0603 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 40:sc= -1.26 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 132:sc= -0.256 USER MOD Single : A 35 LYS NZ :NH3+ 142:sc= 0.147 (180deg=0) USER MOD Single : A 36 CYS SG : rot 33:sc= 0.0347 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.267 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 169:sc= -3.47! (180deg=-3.6) USER MOD Single : A 54 TYR OH : rot -13:sc= 0.641 USER MOD Single : A 59 LYS NZ :NH3+ 177:sc= 0.724 (180deg=0.612) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -131:sc= -0.0969 (180deg=-1.4!) USER MOD Single : A 66 GLN : amide:sc= -0.0144 X(o=-0.014,f=-0.059) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= -0.0243 USER MOD Single : A 80 CYS SG : rot -90:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.308 X(o=-0.31,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 0.713 -8.966 9.717 1.00 0.00 N ATOM 60 CA GLY A 7 0.386 -7.835 8.866 1.00 0.00 C ATOM 61 C GLY A 7 0.827 -6.518 9.509 1.00 0.00 C ATOM 62 O GLY A 7 1.178 -6.486 10.687 1.00 0.00 O ATOM 0 HA2 GLY A 7 0.872 -7.952 7.898 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.688 -7.812 8.682 1.00 0.00 H new ATOM 66 N VAL A 8 0.794 -5.465 8.706 1.00 0.00 N ATOM 67 CA VAL A 8 1.186 -4.149 9.182 1.00 0.00 C ATOM 68 C VAL A 8 0.106 -3.133 8.805 1.00 0.00 C ATOM 69 O VAL A 8 -0.238 -2.992 7.633 1.00 0.00 O ATOM 70 CB VAL A 8 2.567 -3.784 8.634 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.661 -4.085 9.661 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.841 -4.506 7.313 1.00 0.00 C ATOM 0 H VAL A 8 0.502 -5.496 7.729 1.00 0.00 H new ATOM 0 HA VAL A 8 1.271 -4.146 10.269 1.00 0.00 H new ATOM 0 HB VAL A 8 2.577 -2.712 8.438 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.633 -3.817 9.247 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.480 -3.505 10.566 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.651 -5.148 9.903 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.829 -4.229 6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.802 -5.584 7.472 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.087 -4.220 6.579 1.00 0.00 H new ATOM 82 N MET A 9 -0.400 -2.450 9.822 1.00 0.00 N ATOM 83 CA MET A 9 -1.434 -1.451 9.613 1.00 0.00 C ATOM 84 C MET A 9 -0.848 -0.175 9.005 1.00 0.00 C ATOM 85 O MET A 9 -0.124 0.560 9.674 1.00 0.00 O ATOM 86 CB MET A 9 -2.103 -1.120 10.948 1.00 0.00 C ATOM 87 CG MET A 9 -3.246 -2.092 11.245 1.00 0.00 C ATOM 88 SD MET A 9 -3.558 -2.150 13.001 1.00 0.00 S ATOM 89 CE MET A 9 -2.565 -3.565 13.446 1.00 0.00 C ATOM 0 H MET A 9 -0.113 -2.569 10.793 1.00 0.00 H new ATOM 0 HA MET A 9 -2.170 -1.857 8.919 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.365 -1.165 11.749 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.486 -0.100 10.924 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.147 -1.779 10.718 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.992 -3.087 10.879 1.00 0.00 H new ATOM 0 HE1 MET A 9 -2.646 -3.744 14.518 1.00 0.00 H new ATOM 0 HE2 MET A 9 -2.918 -4.442 12.904 1.00 0.00 H new ATOM 0 HE3 MET A 9 -1.523 -3.374 13.188 1.00 0.00 H new ATOM 99 N VAL A 10 -1.183 0.049 7.742 1.00 0.00 N ATOM 100 CA VAL A 10 -0.699 1.223 7.037 1.00 0.00 C ATOM 101 C VAL A 10 -1.891 2.084 6.612 1.00 0.00 C ATOM 102 O VAL A 10 -2.963 1.562 6.313 1.00 0.00 O ATOM 103 CB VAL A 10 0.183 0.800 5.860 1.00 0.00 C ATOM 104 CG1 VAL A 10 1.437 0.073 6.349 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.601 -0.063 4.870 1.00 0.00 C ATOM 0 H VAL A 10 -1.784 -0.563 7.190 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.075 1.832 7.691 1.00 0.00 H new ATOM 0 HB VAL A 10 0.501 1.702 5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.047 -0.217 5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.012 0.735 6.997 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.147 -0.818 6.906 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.049 -0.350 4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.963 -0.959 5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.449 0.504 4.485 1.00 0.00 H new ATOM 115 N PHE A 11 -1.662 3.389 6.598 1.00 0.00 N ATOM 116 CA PHE A 11 -2.703 4.327 6.215 1.00 0.00 C ATOM 117 C PHE A 11 -2.636 4.639 4.718 1.00 0.00 C ATOM 118 O PHE A 11 -1.782 5.407 4.278 1.00 0.00 O ATOM 119 CB PHE A 11 -2.457 5.615 7.003 1.00 0.00 C ATOM 120 CG PHE A 11 -2.956 5.564 8.449 1.00 0.00 C ATOM 121 CD1 PHE A 11 -4.285 5.679 8.714 1.00 0.00 C ATOM 122 CD2 PHE A 11 -2.070 5.405 9.468 1.00 0.00 C ATOM 123 CE1 PHE A 11 -4.747 5.632 10.056 1.00 0.00 C ATOM 124 CE2 PHE A 11 -2.533 5.358 10.810 1.00 0.00 C ATOM 125 CZ PHE A 11 -3.862 5.473 11.075 1.00 0.00 C ATOM 0 H PHE A 11 -0.771 3.819 6.846 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.684 3.901 6.427 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.388 5.829 7.005 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.947 6.442 6.489 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.988 5.806 7.904 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.015 5.314 9.257 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.802 5.723 10.267 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.830 5.231 11.620 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.214 5.438 12.095 1.00 0.00 H new ATOM 135 N ILE A 12 -3.548 4.027 3.977 1.00 0.00 N ATOM 136 CA ILE A 12 -3.603 4.229 2.540 1.00 0.00 C ATOM 137 C ILE A 12 -4.406 5.496 2.238 1.00 0.00 C ATOM 138 O ILE A 12 -5.291 5.872 3.006 1.00 0.00 O ATOM 139 CB ILE A 12 -4.143 2.979 1.843 1.00 0.00 C ATOM 140 CG1 ILE A 12 -3.438 1.720 2.353 1.00 0.00 C ATOM 141 CG2 ILE A 12 -4.046 3.113 0.322 1.00 0.00 C ATOM 142 CD1 ILE A 12 -2.025 1.610 1.777 1.00 0.00 C ATOM 0 H ILE A 12 -4.255 3.391 4.346 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.601 4.382 2.139 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.200 2.880 2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.390 1.742 3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.016 0.838 2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.437 2.211 -0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.629 3.974 -0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.004 3.250 0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.547 0.707 2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.078 1.564 0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.442 2.481 2.075 1.00 0.00 H new ATOM 154 N SER A 13 -4.070 6.119 1.118 1.00 0.00 N ATOM 155 CA SER A 13 -4.748 7.336 0.705 1.00 0.00 C ATOM 156 C SER A 13 -4.636 7.509 -0.811 1.00 0.00 C ATOM 157 O SER A 13 -3.837 6.835 -1.459 1.00 0.00 O ATOM 158 CB SER A 13 -4.173 8.558 1.424 1.00 0.00 C ATOM 159 OG SER A 13 -2.914 8.951 0.885 1.00 0.00 O ATOM 0 H SER A 13 -3.337 5.803 0.483 1.00 0.00 H new ATOM 0 HA SER A 13 -5.800 7.251 0.977 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.875 9.388 1.347 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.059 8.334 2.485 1.00 0.00 H new ATOM 0 HG SER A 13 -2.360 9.336 1.596 1.00 0.00 H new ATOM 165 N SER A 14 -5.447 8.418 -1.332 1.00 0.00 N ATOM 166 CA SER A 14 -5.449 8.689 -2.760 1.00 0.00 C ATOM 167 C SER A 14 -5.948 10.111 -3.022 1.00 0.00 C ATOM 168 O SER A 14 -6.692 10.669 -2.218 1.00 0.00 O ATOM 169 CB SER A 14 -6.314 7.675 -3.512 1.00 0.00 C ATOM 170 OG SER A 14 -7.700 7.993 -3.431 1.00 0.00 O ATOM 0 H SER A 14 -6.107 8.976 -0.791 1.00 0.00 H new ATOM 0 HA SER A 14 -4.427 8.596 -3.127 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.010 7.644 -4.558 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.146 6.679 -3.101 1.00 0.00 H new ATOM 0 HG SER A 14 -8.202 7.198 -3.154 1.00 0.00 H new ATOM 176 N SER A 15 -5.518 10.656 -4.151 1.00 0.00 N ATOM 177 CA SER A 15 -5.912 12.002 -4.529 1.00 0.00 C ATOM 178 C SER A 15 -7.410 12.042 -4.836 1.00 0.00 C ATOM 179 O SER A 15 -8.048 13.085 -4.699 1.00 0.00 O ATOM 180 CB SER A 15 -5.110 12.492 -5.736 1.00 0.00 C ATOM 181 OG SER A 15 -4.548 13.783 -5.515 1.00 0.00 O ATOM 0 H SER A 15 -4.901 10.190 -4.816 1.00 0.00 H new ATOM 0 HA SER A 15 -5.701 12.668 -3.692 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.312 11.782 -5.954 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.757 12.523 -6.613 1.00 0.00 H new ATOM 0 HG SER A 15 -4.042 14.060 -6.308 1.00 0.00 H new ATOM 187 N LEU A 16 -7.929 10.894 -5.245 1.00 0.00 N ATOM 188 CA LEU A 16 -9.340 10.784 -5.572 1.00 0.00 C ATOM 189 C LEU A 16 -10.174 11.133 -4.338 1.00 0.00 C ATOM 190 O LEU A 16 -10.998 12.046 -4.378 1.00 0.00 O ATOM 191 CB LEU A 16 -9.650 9.403 -6.153 1.00 0.00 C ATOM 192 CG LEU A 16 -8.696 8.904 -7.240 1.00 0.00 C ATOM 193 CD1 LEU A 16 -8.258 7.464 -6.965 1.00 0.00 C ATOM 194 CD2 LEU A 16 -9.318 9.058 -8.629 1.00 0.00 C ATOM 0 H LEU A 16 -7.397 10.031 -5.357 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.607 11.499 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.651 8.679 -5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.659 9.422 -6.564 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.800 9.524 -7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.580 7.133 -7.752 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.748 7.416 -6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.134 6.815 -6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.619 8.696 -9.383 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.240 8.479 -8.681 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.539 10.109 -8.814 1.00 0.00 H new ATOM 206 N ASN A 17 -9.932 10.388 -3.269 1.00 0.00 N ATOM 207 CA ASN A 17 -10.651 10.607 -2.026 1.00 0.00 C ATOM 208 C ASN A 17 -9.804 11.482 -1.100 1.00 0.00 C ATOM 209 O ASN A 17 -8.685 11.115 -0.744 1.00 0.00 O ATOM 210 CB ASN A 17 -10.923 9.284 -1.307 1.00 0.00 C ATOM 211 CG ASN A 17 -11.883 8.408 -2.114 1.00 0.00 C ATOM 212 OD1 ASN A 17 -13.083 8.627 -2.151 1.00 0.00 O ATOM 213 ND2 ASN A 17 -11.290 7.407 -2.758 1.00 0.00 N ATOM 0 H ASN A 17 -9.248 9.632 -3.238 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.599 11.090 -2.265 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.985 8.752 -1.150 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.346 9.482 -0.322 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.845 6.766 -3.326 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.281 7.280 -2.684 1.00 0.00 H new ATOM 220 N SER A 18 -10.370 12.624 -0.736 1.00 0.00 N ATOM 221 CA SER A 18 -9.681 13.554 0.141 1.00 0.00 C ATOM 222 C SER A 18 -9.767 13.069 1.590 1.00 0.00 C ATOM 223 O SER A 18 -10.318 13.758 2.447 1.00 0.00 O ATOM 224 CB SER A 18 -10.265 14.963 0.018 1.00 0.00 C ATOM 225 OG SER A 18 -9.543 15.760 -0.918 1.00 0.00 O ATOM 0 H SER A 18 -11.298 12.926 -1.033 1.00 0.00 H new ATOM 0 HA SER A 18 -8.634 13.596 -0.160 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.308 14.897 -0.290 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.251 15.448 0.994 1.00 0.00 H new ATOM 0 HG SER A 18 -9.947 16.651 -0.969 1.00 0.00 H new ATOM 231 N PHE A 19 -9.214 11.887 1.818 1.00 0.00 N ATOM 232 CA PHE A 19 -9.221 11.302 3.148 1.00 0.00 C ATOM 233 C PHE A 19 -8.254 10.119 3.233 1.00 0.00 C ATOM 234 O PHE A 19 -7.642 9.741 2.235 1.00 0.00 O ATOM 235 CB PHE A 19 -10.643 10.803 3.409 1.00 0.00 C ATOM 236 CG PHE A 19 -11.113 10.989 4.854 1.00 0.00 C ATOM 237 CD1 PHE A 19 -11.440 12.228 5.308 1.00 0.00 C ATOM 238 CD2 PHE A 19 -11.204 9.914 5.683 1.00 0.00 C ATOM 239 CE1 PHE A 19 -11.876 12.400 6.649 1.00 0.00 C ATOM 240 CE2 PHE A 19 -11.639 10.087 7.023 1.00 0.00 C ATOM 241 CZ PHE A 19 -11.967 11.326 7.478 1.00 0.00 C ATOM 0 H PHE A 19 -8.758 11.319 1.104 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.909 12.044 3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.329 11.328 2.744 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.698 9.745 3.153 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.368 13.081 4.650 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.945 8.930 5.322 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -12.135 13.384 7.010 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.710 9.234 7.682 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.300 11.457 8.497 1.00 0.00 H new ATOM 251 N ARG A 20 -8.147 9.568 4.432 1.00 0.00 N ATOM 252 CA ARG A 20 -7.265 8.436 4.660 1.00 0.00 C ATOM 253 C ARG A 20 -8.081 7.188 5.002 1.00 0.00 C ATOM 254 O ARG A 20 -9.106 7.277 5.677 1.00 0.00 O ATOM 255 CB ARG A 20 -6.283 8.722 5.797 1.00 0.00 C ATOM 256 CG ARG A 20 -4.913 9.128 5.250 1.00 0.00 C ATOM 257 CD ARG A 20 -4.615 10.598 5.554 1.00 0.00 C ATOM 258 NE ARG A 20 -4.991 11.441 4.398 1.00 0.00 N ATOM 259 CZ ARG A 20 -4.649 12.729 4.264 1.00 0.00 C ATOM 260 NH1 ARG A 20 -3.919 13.330 5.214 1.00 0.00 N ATOM 261 NH2 ARG A 20 -5.035 13.416 3.180 1.00 0.00 N ATOM 0 H ARG A 20 -8.657 9.884 5.257 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.701 8.266 3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.676 9.518 6.430 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.180 7.837 6.425 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.140 8.498 5.690 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.884 8.962 4.173 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.167 10.914 6.439 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.556 10.724 5.777 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.546 11.014 3.656 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.624 12.806 6.038 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.658 14.311 5.113 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.589 12.958 2.457 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.774 14.397 3.078 1.00 0.00 H new ATOM 275 N SER A 21 -7.596 6.052 4.520 1.00 0.00 N ATOM 276 CA SER A 21 -8.268 4.788 4.766 1.00 0.00 C ATOM 277 C SER A 21 -7.428 3.924 5.709 1.00 0.00 C ATOM 278 O SER A 21 -6.252 4.207 5.933 1.00 0.00 O ATOM 279 CB SER A 21 -8.534 4.041 3.458 1.00 0.00 C ATOM 280 OG SER A 21 -9.757 4.450 2.849 1.00 0.00 O ATOM 0 H SER A 21 -6.746 5.982 3.961 1.00 0.00 H new ATOM 0 HA SER A 21 -9.230 4.998 5.235 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.709 4.215 2.767 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.567 2.969 3.653 1.00 0.00 H new ATOM 0 HG SER A 21 -9.890 3.952 2.016 1.00 0.00 H new ATOM 286 N GLU A 22 -8.063 2.887 6.235 1.00 0.00 N ATOM 287 CA GLU A 22 -7.389 1.980 7.147 1.00 0.00 C ATOM 288 C GLU A 22 -7.457 0.546 6.618 1.00 0.00 C ATOM 289 O GLU A 22 -8.466 -0.136 6.789 1.00 0.00 O ATOM 290 CB GLU A 22 -7.984 2.074 8.554 1.00 0.00 C ATOM 291 CG GLU A 22 -7.129 1.306 9.564 1.00 0.00 C ATOM 292 CD GLU A 22 -7.487 1.702 10.998 1.00 0.00 C ATOM 293 OE1 GLU A 22 -7.012 2.776 11.425 1.00 0.00 O ATOM 294 OE2 GLU A 22 -8.227 0.921 11.634 1.00 0.00 O ATOM 0 H GLU A 22 -9.038 2.655 6.046 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.341 2.273 7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.055 3.120 8.853 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.998 1.673 8.551 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.277 0.234 9.431 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.074 1.507 9.380 1.00 0.00 H new ATOM 301 N LYS A 23 -6.370 0.131 5.985 1.00 0.00 N ATOM 302 CA LYS A 23 -6.293 -1.209 5.429 1.00 0.00 C ATOM 303 C LYS A 23 -5.103 -1.946 6.046 1.00 0.00 C ATOM 304 O LYS A 23 -4.332 -1.361 6.805 1.00 0.00 O ATOM 305 CB LYS A 23 -6.257 -1.154 3.900 1.00 0.00 C ATOM 306 CG LYS A 23 -7.658 -0.935 3.326 1.00 0.00 C ATOM 307 CD LYS A 23 -8.226 -2.236 2.754 1.00 0.00 C ATOM 308 CE LYS A 23 -9.345 -1.952 1.751 1.00 0.00 C ATOM 309 NZ LYS A 23 -10.613 -2.571 2.199 1.00 0.00 N ATOM 0 H LYS A 23 -5.535 0.699 5.845 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.187 -1.778 5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.598 -0.348 3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.841 -2.082 3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.319 -0.557 4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.620 -0.176 2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.431 -2.801 2.267 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.608 -2.857 3.564 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.478 -0.876 1.641 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.070 -2.341 0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.362 -2.368 1.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.487 -3.600 2.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.882 -2.180 3.124 1.00 0.00 H new ATOM 323 N ARG A 24 -4.990 -3.219 5.696 1.00 0.00 N ATOM 324 CA ARG A 24 -3.906 -4.041 6.207 1.00 0.00 C ATOM 325 C ARG A 24 -3.302 -4.882 5.080 1.00 0.00 C ATOM 326 O ARG A 24 -4.019 -5.346 4.194 1.00 0.00 O ATOM 327 CB ARG A 24 -4.396 -4.969 7.320 1.00 0.00 C ATOM 328 CG ARG A 24 -3.291 -5.935 7.755 1.00 0.00 C ATOM 329 CD ARG A 24 -3.858 -7.063 8.619 1.00 0.00 C ATOM 330 NE ARG A 24 -3.388 -8.373 8.114 1.00 0.00 N ATOM 331 CZ ARG A 24 -3.761 -9.553 8.627 1.00 0.00 C ATOM 332 NH1 ARG A 24 -4.610 -9.596 9.662 1.00 0.00 N ATOM 333 NH2 ARG A 24 -3.283 -10.691 8.104 1.00 0.00 N ATOM 0 H ARG A 24 -5.631 -3.701 5.065 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.147 -3.373 6.614 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.723 -4.377 8.174 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.262 -5.533 6.973 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.804 -6.356 6.875 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.528 -5.393 8.313 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.546 -6.930 9.655 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.947 -7.029 8.607 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.740 -8.377 7.326 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.973 -8.730 10.060 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.894 -10.495 10.052 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.636 -10.658 7.316 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.566 -11.590 8.494 1.00 0.00 H new ATOM 347 N TYR A 25 -1.990 -5.055 5.151 1.00 0.00 N ATOM 348 CA TYR A 25 -1.282 -5.832 4.148 1.00 0.00 C ATOM 349 C TYR A 25 -0.041 -6.498 4.746 1.00 0.00 C ATOM 350 O TYR A 25 0.717 -5.862 5.478 1.00 0.00 O ATOM 351 CB TYR A 25 -0.844 -4.835 3.074 1.00 0.00 C ATOM 352 CG TYR A 25 -1.978 -3.960 2.536 1.00 0.00 C ATOM 353 CD1 TYR A 25 -2.808 -4.440 1.544 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.172 -2.691 3.044 1.00 0.00 C ATOM 355 CE1 TYR A 25 -3.876 -3.617 1.038 1.00 0.00 C ATOM 356 CE2 TYR A 25 -3.240 -1.868 2.538 1.00 0.00 C ATOM 357 CZ TYR A 25 -4.039 -2.372 1.560 1.00 0.00 C ATOM 358 OH TYR A 25 -5.048 -1.595 1.082 1.00 0.00 O ATOM 0 H TYR A 25 -1.399 -4.670 5.888 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.922 -6.620 3.751 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.067 -4.191 3.486 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.397 -5.383 2.245 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.657 -5.433 1.147 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.523 -2.315 3.821 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.533 -3.980 0.261 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.403 -0.873 2.926 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.844 -2.147 0.935 1.00 0.00 H new ATOM 368 N SER A 26 0.128 -7.769 4.413 1.00 0.00 N ATOM 369 CA SER A 26 1.264 -8.528 4.908 1.00 0.00 C ATOM 370 C SER A 26 2.562 -7.968 4.323 1.00 0.00 C ATOM 371 O SER A 26 2.646 -7.711 3.123 1.00 0.00 O ATOM 372 CB SER A 26 1.125 -10.013 4.566 1.00 0.00 C ATOM 373 OG SER A 26 2.108 -10.806 5.226 1.00 0.00 O ATOM 0 H SER A 26 -0.503 -8.293 3.806 1.00 0.00 H new ATOM 0 HA SER A 26 1.292 -8.434 5.994 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.131 -10.359 4.848 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.215 -10.147 3.488 1.00 0.00 H new ATOM 0 HG SER A 26 1.985 -11.748 4.984 1.00 0.00 H new ATOM 379 N ARG A 27 3.542 -7.795 5.198 1.00 0.00 N ATOM 380 CA ARG A 27 4.832 -7.270 4.783 1.00 0.00 C ATOM 381 C ARG A 27 5.387 -8.089 3.616 1.00 0.00 C ATOM 382 O ARG A 27 6.271 -7.628 2.895 1.00 0.00 O ATOM 383 CB ARG A 27 5.834 -7.296 5.938 1.00 0.00 C ATOM 384 CG ARG A 27 5.399 -6.355 7.063 1.00 0.00 C ATOM 385 CD ARG A 27 6.586 -5.973 7.949 1.00 0.00 C ATOM 386 NE ARG A 27 6.328 -6.385 9.347 1.00 0.00 N ATOM 387 CZ ARG A 27 7.065 -5.991 10.394 1.00 0.00 C ATOM 388 NH1 ARG A 27 8.110 -5.173 10.209 1.00 0.00 N ATOM 389 NH2 ARG A 27 6.757 -6.415 11.628 1.00 0.00 N ATOM 0 H ARG A 27 3.469 -8.009 6.193 1.00 0.00 H new ATOM 0 HA ARG A 27 4.685 -6.237 4.469 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.924 -8.312 6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.820 -7.004 5.576 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.954 -5.455 6.638 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.630 -6.836 7.667 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.493 -6.452 7.582 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.753 -4.897 7.903 1.00 0.00 H new ATOM 0 HE ARG A 27 5.540 -7.008 9.524 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.345 -4.850 9.270 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.671 -4.873 11.007 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.962 -7.038 11.770 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.318 -6.115 12.425 1.00 0.00 H new ATOM 403 N SER A 28 4.846 -9.289 3.466 1.00 0.00 N ATOM 404 CA SER A 28 5.277 -10.176 2.399 1.00 0.00 C ATOM 405 C SER A 28 4.782 -9.651 1.050 1.00 0.00 C ATOM 406 O SER A 28 5.489 -9.742 0.047 1.00 0.00 O ATOM 407 CB SER A 28 4.773 -11.602 2.631 1.00 0.00 C ATOM 408 OG SER A 28 5.385 -12.207 3.766 1.00 0.00 O ATOM 0 H SER A 28 4.113 -9.668 4.066 1.00 0.00 H new ATOM 0 HA SER A 28 6.367 -10.201 2.394 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.692 -11.586 2.768 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.974 -12.206 1.746 1.00 0.00 H new ATOM 0 HG SER A 28 5.035 -13.115 3.881 1.00 0.00 H new ATOM 414 N LEU A 29 3.572 -9.113 1.069 1.00 0.00 N ATOM 415 CA LEU A 29 2.974 -8.573 -0.141 1.00 0.00 C ATOM 416 C LEU A 29 4.023 -7.764 -0.906 1.00 0.00 C ATOM 417 O LEU A 29 4.448 -6.704 -0.449 1.00 0.00 O ATOM 418 CB LEU A 29 1.709 -7.780 0.194 1.00 0.00 C ATOM 419 CG LEU A 29 0.403 -8.577 0.217 1.00 0.00 C ATOM 420 CD1 LEU A 29 -0.807 -7.644 0.285 1.00 0.00 C ATOM 421 CD2 LEU A 29 0.324 -9.532 -0.976 1.00 0.00 C ATOM 0 H LEU A 29 2.989 -9.039 1.903 1.00 0.00 H new ATOM 0 HA LEU A 29 2.651 -9.380 -0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.844 -7.314 1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.607 -6.974 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 29 0.390 -9.187 1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.722 -8.236 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.750 -7.040 1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.812 -6.990 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.613 -10.087 -0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.369 -8.961 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.160 -10.230 -0.939 1.00 0.00 H new ATOM 433 N THR A 30 4.410 -8.295 -2.056 1.00 0.00 N ATOM 434 CA THR A 30 5.402 -7.635 -2.889 1.00 0.00 C ATOM 435 C THR A 30 4.860 -6.301 -3.407 1.00 0.00 C ATOM 436 O THR A 30 3.703 -6.213 -3.816 1.00 0.00 O ATOM 437 CB THR A 30 5.802 -8.603 -4.004 1.00 0.00 C ATOM 438 OG1 THR A 30 4.596 -8.808 -4.735 1.00 0.00 O ATOM 439 CG2 THR A 30 6.157 -9.993 -3.473 1.00 0.00 C ATOM 0 H THR A 30 4.055 -9.175 -2.431 1.00 0.00 H new ATOM 0 HA THR A 30 6.297 -7.387 -2.318 1.00 0.00 H new ATOM 0 HB THR A 30 6.652 -8.195 -4.551 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.772 -8.703 -5.693 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.433 -10.641 -4.305 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.995 -9.915 -2.780 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.296 -10.415 -2.955 1.00 0.00 H new ATOM 447 N ILE A 31 5.723 -5.296 -3.373 1.00 0.00 N ATOM 448 CA ILE A 31 5.346 -3.971 -3.835 1.00 0.00 C ATOM 449 C ILE A 31 4.373 -4.101 -5.008 1.00 0.00 C ATOM 450 O ILE A 31 3.375 -3.385 -5.075 1.00 0.00 O ATOM 451 CB ILE A 31 6.590 -3.141 -4.157 1.00 0.00 C ATOM 452 CG1 ILE A 31 7.481 -2.986 -2.922 1.00 0.00 C ATOM 453 CG2 ILE A 31 6.207 -1.789 -4.761 1.00 0.00 C ATOM 454 CD1 ILE A 31 6.691 -2.409 -1.746 1.00 0.00 C ATOM 0 H ILE A 31 6.682 -5.373 -3.033 1.00 0.00 H new ATOM 0 HA ILE A 31 4.824 -3.428 -3.047 1.00 0.00 H new ATOM 0 HB ILE A 31 7.171 -3.675 -4.908 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.897 -3.955 -2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.322 -2.333 -3.155 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.110 -1.219 -4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.646 -1.948 -5.682 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.592 -1.235 -4.052 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.347 -2.309 -0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.297 -1.430 -2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.865 -3.077 -1.500 1.00 0.00 H new ATOM 466 N ALA A 32 4.698 -5.021 -5.905 1.00 0.00 N ATOM 467 CA ALA A 32 3.865 -5.255 -7.072 1.00 0.00 C ATOM 468 C ALA A 32 2.485 -5.737 -6.621 1.00 0.00 C ATOM 469 O ALA A 32 1.473 -5.110 -6.930 1.00 0.00 O ATOM 470 CB ALA A 32 4.557 -6.254 -8.001 1.00 0.00 C ATOM 0 H ALA A 32 5.527 -5.613 -5.847 1.00 0.00 H new ATOM 0 HA ALA A 32 3.724 -4.332 -7.634 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.932 -6.430 -8.877 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.519 -5.851 -8.317 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.713 -7.194 -7.472 1.00 0.00 H new ATOM 476 N GLU A 33 2.489 -6.846 -5.896 1.00 0.00 N ATOM 477 CA GLU A 33 1.250 -7.420 -5.399 1.00 0.00 C ATOM 478 C GLU A 33 0.487 -6.391 -4.562 1.00 0.00 C ATOM 479 O GLU A 33 -0.729 -6.257 -4.693 1.00 0.00 O ATOM 480 CB GLU A 33 1.519 -8.691 -4.593 1.00 0.00 C ATOM 481 CG GLU A 33 1.721 -9.894 -5.516 1.00 0.00 C ATOM 482 CD GLU A 33 0.429 -10.701 -5.657 1.00 0.00 C ATOM 483 OE1 GLU A 33 -0.292 -10.800 -4.640 1.00 0.00 O ATOM 484 OE2 GLU A 33 0.191 -11.201 -6.777 1.00 0.00 O ATOM 0 H GLU A 33 3.331 -7.362 -5.641 1.00 0.00 H new ATOM 0 HA GLU A 33 0.632 -7.696 -6.253 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.404 -8.552 -3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.684 -8.882 -3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.049 -9.552 -6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.511 -10.532 -5.120 1.00 0.00 H new ATOM 491 N PHE A 34 1.232 -5.689 -3.721 1.00 0.00 N ATOM 492 CA PHE A 34 0.642 -4.677 -2.863 1.00 0.00 C ATOM 493 C PHE A 34 -0.278 -3.751 -3.661 1.00 0.00 C ATOM 494 O PHE A 34 -1.410 -3.492 -3.254 1.00 0.00 O ATOM 495 CB PHE A 34 1.794 -3.855 -2.283 1.00 0.00 C ATOM 496 CG PHE A 34 1.349 -2.759 -1.312 1.00 0.00 C ATOM 497 CD1 PHE A 34 0.069 -2.736 -0.852 1.00 0.00 C ATOM 498 CD2 PHE A 34 2.234 -1.808 -0.908 1.00 0.00 C ATOM 499 CE1 PHE A 34 -0.343 -1.719 0.049 1.00 0.00 C ATOM 500 CE2 PHE A 34 1.821 -0.791 -0.007 1.00 0.00 C ATOM 501 CZ PHE A 34 0.541 -0.768 0.453 1.00 0.00 C ATOM 0 H PHE A 34 2.240 -5.802 -3.616 1.00 0.00 H new ATOM 0 HA PHE A 34 0.048 -5.152 -2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.482 -4.525 -1.768 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.349 -3.397 -3.102 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.634 -3.491 -1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.250 -1.826 -1.272 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.359 -1.701 0.414 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.523 -0.036 0.313 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.227 0.005 1.139 1.00 0.00 H new ATOM 511 N LYS A 35 0.241 -3.277 -4.784 1.00 0.00 N ATOM 512 CA LYS A 35 -0.519 -2.385 -5.643 1.00 0.00 C ATOM 513 C LYS A 35 -1.793 -3.095 -6.108 1.00 0.00 C ATOM 514 O LYS A 35 -2.883 -2.529 -6.039 1.00 0.00 O ATOM 515 CB LYS A 35 0.353 -1.874 -6.791 1.00 0.00 C ATOM 516 CG LYS A 35 1.645 -1.247 -6.261 1.00 0.00 C ATOM 517 CD LYS A 35 2.792 -1.431 -7.257 1.00 0.00 C ATOM 518 CE LYS A 35 3.540 -0.115 -7.480 1.00 0.00 C ATOM 519 NZ LYS A 35 3.102 0.522 -8.742 1.00 0.00 N ATOM 0 H LYS A 35 1.180 -3.494 -5.119 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.830 -1.498 -5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.593 -2.697 -7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.201 -1.137 -7.373 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.488 -0.185 -6.074 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.910 -1.703 -5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.483 -2.188 -6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.399 -1.796 -8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.359 0.560 -6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.614 -0.301 -7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.056 1.553 -8.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.781 0.298 -9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.162 0.163 -9.004 1.00 0.00 H new ATOM 533 N CYS A 36 -1.612 -4.323 -6.571 1.00 0.00 N ATOM 534 CA CYS A 36 -2.733 -5.116 -7.046 1.00 0.00 C ATOM 535 C CYS A 36 -3.866 -5.008 -6.024 1.00 0.00 C ATOM 536 O CYS A 36 -5.040 -4.991 -6.392 1.00 0.00 O ATOM 537 CB CYS A 36 -2.330 -6.570 -7.300 1.00 0.00 C ATOM 538 SG CYS A 36 -3.363 -7.281 -8.633 1.00 0.00 S ATOM 0 H CYS A 36 -0.706 -4.788 -6.627 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.074 -4.729 -8.006 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.277 -6.621 -7.578 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.447 -7.154 -6.387 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.661 -6.353 -9.493 1.00 0.00 H new ATOM 544 N LYS A 37 -3.475 -4.937 -4.760 1.00 0.00 N ATOM 545 CA LYS A 37 -4.443 -4.831 -3.682 1.00 0.00 C ATOM 546 C LYS A 37 -5.049 -3.427 -3.683 1.00 0.00 C ATOM 547 O LYS A 37 -6.268 -3.272 -3.615 1.00 0.00 O ATOM 548 CB LYS A 37 -3.805 -5.225 -2.348 1.00 0.00 C ATOM 549 CG LYS A 37 -3.230 -6.641 -2.412 1.00 0.00 C ATOM 550 CD LYS A 37 -4.190 -7.651 -1.779 1.00 0.00 C ATOM 551 CE LYS A 37 -3.793 -9.084 -2.140 1.00 0.00 C ATOM 552 NZ LYS A 37 -4.955 -9.992 -2.011 1.00 0.00 N ATOM 0 H LYS A 37 -2.501 -4.951 -4.458 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.263 -5.532 -3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.014 -4.519 -2.097 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.549 -5.166 -1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.041 -6.914 -3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.271 -6.672 -1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.188 -7.531 -0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.207 -7.455 -2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.411 -9.116 -3.160 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.987 -9.420 -1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.668 -10.960 -2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.302 -9.975 -1.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.712 -9.680 -2.652 1.00 0.00 H new ATOM 566 N LEU A 38 -4.171 -2.438 -3.761 1.00 0.00 N ATOM 567 CA LEU A 38 -4.604 -1.051 -3.771 1.00 0.00 C ATOM 568 C LEU A 38 -5.538 -0.822 -4.961 1.00 0.00 C ATOM 569 O LEU A 38 -6.505 -0.068 -4.860 1.00 0.00 O ATOM 570 CB LEU A 38 -3.397 -0.112 -3.748 1.00 0.00 C ATOM 571 CG LEU A 38 -2.347 -0.395 -2.671 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.186 0.597 -2.762 1.00 0.00 C ATOM 573 CD2 LEU A 38 -2.981 -0.410 -1.278 1.00 0.00 C ATOM 0 H LEU A 38 -3.161 -2.570 -3.818 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.173 -0.823 -2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.910 -0.155 -4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.758 0.908 -3.616 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.935 -1.389 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.455 0.373 -1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.713 0.515 -3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.562 1.611 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.214 -0.613 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.437 0.559 -1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.745 -1.187 -1.234 1.00 0.00 H new ATOM 585 N GLU A 39 -5.217 -1.487 -6.061 1.00 0.00 N ATOM 586 CA GLU A 39 -6.015 -1.366 -7.269 1.00 0.00 C ATOM 587 C GLU A 39 -7.504 -1.315 -6.919 1.00 0.00 C ATOM 588 O GLU A 39 -8.263 -0.565 -7.530 1.00 0.00 O ATOM 589 CB GLU A 39 -5.719 -2.511 -8.240 1.00 0.00 C ATOM 590 CG GLU A 39 -4.319 -2.371 -8.842 1.00 0.00 C ATOM 591 CD GLU A 39 -4.188 -3.201 -10.121 1.00 0.00 C ATOM 592 OE1 GLU A 39 -4.897 -2.862 -11.093 1.00 0.00 O ATOM 593 OE2 GLU A 39 -3.380 -4.155 -10.098 1.00 0.00 O ATOM 0 H GLU A 39 -4.415 -2.112 -6.141 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.746 -0.434 -7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.801 -3.465 -7.719 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.463 -2.518 -9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.117 -1.323 -9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.573 -2.694 -8.116 1.00 0.00 H new ATOM 600 N LEU A 40 -7.876 -2.123 -5.937 1.00 0.00 N ATOM 601 CA LEU A 40 -9.260 -2.179 -5.499 1.00 0.00 C ATOM 602 C LEU A 40 -9.537 -1.013 -4.548 1.00 0.00 C ATOM 603 O LEU A 40 -10.585 -0.374 -4.633 1.00 0.00 O ATOM 604 CB LEU A 40 -9.576 -3.551 -4.898 1.00 0.00 C ATOM 605 CG LEU A 40 -9.477 -4.741 -5.854 1.00 0.00 C ATOM 606 CD1 LEU A 40 -10.865 -5.279 -6.205 1.00 0.00 C ATOM 607 CD2 LEU A 40 -8.671 -4.376 -7.103 1.00 0.00 C ATOM 0 H LEU A 40 -7.243 -2.744 -5.433 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.934 -2.065 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.898 -3.724 -4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.586 -3.522 -4.489 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.940 -5.542 -5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.766 -6.124 -6.886 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.370 -5.603 -5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.449 -4.494 -6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.616 -5.240 -7.766 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.158 -3.551 -7.622 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.664 -4.077 -6.812 1.00 0.00 H new ATOM 619 N VAL A 41 -8.580 -0.770 -3.665 1.00 0.00 N ATOM 620 CA VAL A 41 -8.708 0.308 -2.700 1.00 0.00 C ATOM 621 C VAL A 41 -9.101 1.595 -3.428 1.00 0.00 C ATOM 622 O VAL A 41 -10.100 2.226 -3.086 1.00 0.00 O ATOM 623 CB VAL A 41 -7.413 0.448 -1.897 1.00 0.00 C ATOM 624 CG1 VAL A 41 -7.488 1.638 -0.938 1.00 0.00 C ATOM 625 CG2 VAL A 41 -7.094 -0.844 -1.142 1.00 0.00 C ATOM 0 H VAL A 41 -7.712 -1.302 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.498 0.086 -1.983 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.602 0.635 -2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.555 1.715 -0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.647 2.554 -1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.316 1.494 -0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.169 -0.718 -0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.908 -1.074 -0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.977 -1.662 -1.853 1.00 0.00 H new ATOM 635 N VAL A 42 -8.295 1.946 -4.420 1.00 0.00 N ATOM 636 CA VAL A 42 -8.547 3.146 -5.199 1.00 0.00 C ATOM 637 C VAL A 42 -9.428 2.794 -6.399 1.00 0.00 C ATOM 638 O VAL A 42 -10.050 3.672 -6.996 1.00 0.00 O ATOM 639 CB VAL A 42 -7.221 3.796 -5.601 1.00 0.00 C ATOM 640 CG1 VAL A 42 -6.671 4.665 -4.468 1.00 0.00 C ATOM 641 CG2 VAL A 42 -6.200 2.740 -6.028 1.00 0.00 C ATOM 0 H VAL A 42 -7.468 1.420 -4.702 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.088 3.882 -4.604 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.411 4.443 -6.457 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.728 5.115 -4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.388 5.451 -4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.504 4.048 -3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.267 3.229 -6.309 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.016 2.056 -5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.588 2.182 -6.880 1.00 0.00 H new ATOM 651 N GLY A 43 -9.453 1.508 -6.718 1.00 0.00 N ATOM 652 CA GLY A 43 -10.247 1.029 -7.836 1.00 0.00 C ATOM 653 C GLY A 43 -9.575 1.363 -9.169 1.00 0.00 C ATOM 654 O GLY A 43 -10.184 1.219 -10.228 1.00 0.00 O ATOM 0 H GLY A 43 -8.936 0.783 -6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.384 -0.049 -7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.239 1.480 -7.802 1.00 0.00 H new ATOM 658 N SER A 44 -8.329 1.804 -9.073 1.00 0.00 N ATOM 659 CA SER A 44 -7.568 2.160 -10.259 1.00 0.00 C ATOM 660 C SER A 44 -6.493 1.105 -10.526 1.00 0.00 C ATOM 661 O SER A 44 -6.298 0.194 -9.722 1.00 0.00 O ATOM 662 CB SER A 44 -6.930 3.542 -10.109 1.00 0.00 C ATOM 663 OG SER A 44 -7.155 4.097 -8.815 1.00 0.00 O ATOM 0 H SER A 44 -7.828 1.923 -8.193 1.00 0.00 H new ATOM 0 HA SER A 44 -8.252 2.196 -11.107 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.858 3.468 -10.290 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.336 4.213 -10.867 1.00 0.00 H new ATOM 0 HG SER A 44 -6.731 4.979 -8.759 1.00 0.00 H new ATOM 669 N PRO A 45 -5.804 1.268 -11.688 1.00 0.00 N ATOM 670 CA PRO A 45 -4.753 0.340 -12.071 1.00 0.00 C ATOM 671 C PRO A 45 -3.486 0.577 -11.247 1.00 0.00 C ATOM 672 O PRO A 45 -3.140 1.718 -10.947 1.00 0.00 O ATOM 673 CB PRO A 45 -4.546 0.573 -13.559 1.00 0.00 C ATOM 674 CG PRO A 45 -5.154 1.935 -13.856 1.00 0.00 C ATOM 675 CD PRO A 45 -6.008 2.334 -12.663 1.00 0.00 C ATOM 0 HA PRO A 45 -5.018 -0.699 -11.877 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.486 0.554 -13.814 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.029 -0.207 -14.147 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.371 2.673 -14.029 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.759 1.894 -14.762 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.702 3.301 -12.263 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.059 2.422 -12.940 1.00 0.00 H new ATOM 683 N ALA A 46 -2.829 -0.521 -10.903 1.00 0.00 N ATOM 684 CA ALA A 46 -1.607 -0.448 -10.120 1.00 0.00 C ATOM 685 C ALA A 46 -0.427 -0.160 -11.049 1.00 0.00 C ATOM 686 O ALA A 46 0.651 0.218 -10.591 1.00 0.00 O ATOM 687 CB ALA A 46 -1.426 -1.747 -9.333 1.00 0.00 C ATOM 0 H ALA A 46 -3.120 -1.466 -11.152 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.663 0.366 -9.397 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.509 -1.692 -8.746 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.276 -1.890 -8.666 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.363 -2.586 -10.026 1.00 0.00 H new ATOM 693 N SER A 47 -0.669 -0.350 -12.338 1.00 0.00 N ATOM 694 CA SER A 47 0.361 -0.115 -13.336 1.00 0.00 C ATOM 695 C SER A 47 0.420 1.373 -13.687 1.00 0.00 C ATOM 696 O SER A 47 1.178 1.777 -14.568 1.00 0.00 O ATOM 697 CB SER A 47 0.108 -0.948 -14.594 1.00 0.00 C ATOM 698 OG SER A 47 0.949 -2.097 -14.651 1.00 0.00 O ATOM 0 H SER A 47 -1.564 -0.664 -12.714 1.00 0.00 H new ATOM 0 HA SER A 47 1.320 -0.421 -12.917 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.936 -1.261 -14.618 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.276 -0.331 -15.477 1.00 0.00 H new ATOM 0 HG SER A 47 0.756 -2.603 -15.467 1.00 0.00 H new ATOM 704 N CYS A 48 -0.390 2.148 -12.981 1.00 0.00 N ATOM 705 CA CYS A 48 -0.440 3.582 -13.207 1.00 0.00 C ATOM 706 C CYS A 48 -0.164 4.288 -11.878 1.00 0.00 C ATOM 707 O CYS A 48 0.819 5.016 -11.750 1.00 0.00 O ATOM 708 CB CYS A 48 -1.776 4.013 -13.815 1.00 0.00 C ATOM 709 SG CYS A 48 -1.810 3.609 -15.600 1.00 0.00 S ATOM 0 H CYS A 48 -1.017 1.809 -12.252 1.00 0.00 H new ATOM 0 HA CYS A 48 0.323 3.865 -13.933 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.597 3.510 -13.304 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.921 5.084 -13.673 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.949 3.977 -16.107 1.00 0.00 H new ATOM 715 N MET A 49 -1.049 4.048 -10.922 1.00 0.00 N ATOM 716 CA MET A 49 -0.914 4.651 -9.607 1.00 0.00 C ATOM 717 C MET A 49 0.497 4.444 -9.052 1.00 0.00 C ATOM 718 O MET A 49 1.167 3.473 -9.397 1.00 0.00 O ATOM 719 CB MET A 49 -1.935 4.030 -8.652 1.00 0.00 C ATOM 720 CG MET A 49 -1.323 2.858 -7.882 1.00 0.00 C ATOM 721 SD MET A 49 -2.487 2.245 -6.676 1.00 0.00 S ATOM 722 CE MET A 49 -3.712 1.534 -7.762 1.00 0.00 C ATOM 0 H MET A 49 -1.863 3.444 -11.032 1.00 0.00 H new ATOM 0 HA MET A 49 -1.095 5.722 -9.699 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.289 4.786 -7.951 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.803 3.686 -9.215 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.050 2.061 -8.574 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.407 3.177 -7.385 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.413 0.937 -7.179 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.252 2.331 -8.273 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.220 0.899 -8.499 1.00 0.00 H new ATOM 732 N GLU A 50 0.906 5.374 -8.202 1.00 0.00 N ATOM 733 CA GLU A 50 2.225 5.307 -7.595 1.00 0.00 C ATOM 734 C GLU A 50 2.104 5.082 -6.087 1.00 0.00 C ATOM 735 O GLU A 50 1.025 5.237 -5.516 1.00 0.00 O ATOM 736 CB GLU A 50 3.033 6.569 -7.899 1.00 0.00 C ATOM 737 CG GLU A 50 4.422 6.215 -8.435 1.00 0.00 C ATOM 738 CD GLU A 50 4.320 5.444 -9.753 1.00 0.00 C ATOM 739 OE1 GLU A 50 3.497 5.864 -10.595 1.00 0.00 O ATOM 740 OE2 GLU A 50 5.068 4.451 -9.888 1.00 0.00 O ATOM 0 H GLU A 50 0.347 6.179 -7.919 1.00 0.00 H new ATOM 0 HA GLU A 50 2.760 4.461 -8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.501 7.178 -8.630 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.130 7.169 -6.995 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.001 7.126 -8.586 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.958 5.616 -7.699 1.00 0.00 H new ATOM 747 N LEU A 51 3.227 4.720 -5.483 1.00 0.00 N ATOM 748 CA LEU A 51 3.261 4.473 -4.052 1.00 0.00 C ATOM 749 C LEU A 51 4.223 5.461 -3.390 1.00 0.00 C ATOM 750 O LEU A 51 5.241 5.828 -3.976 1.00 0.00 O ATOM 751 CB LEU A 51 3.595 3.007 -3.769 1.00 0.00 C ATOM 752 CG LEU A 51 2.595 1.977 -4.300 1.00 0.00 C ATOM 753 CD1 LEU A 51 2.905 0.581 -3.755 1.00 0.00 C ATOM 754 CD2 LEU A 51 1.157 2.403 -3.999 1.00 0.00 C ATOM 0 H LEU A 51 4.120 4.592 -5.959 1.00 0.00 H new ATOM 0 HA LEU A 51 2.278 4.643 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.573 2.789 -4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.683 2.877 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 51 2.696 1.930 -5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.180 -0.132 -4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.908 0.285 -4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.848 0.594 -2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.467 1.654 -4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.023 2.496 -2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.955 3.363 -4.474 1.00 0.00 H new ATOM 766 N GLU A 52 3.868 5.864 -2.179 1.00 0.00 N ATOM 767 CA GLU A 52 4.687 6.803 -1.432 1.00 0.00 C ATOM 768 C GLU A 52 4.749 6.397 0.042 1.00 0.00 C ATOM 769 O GLU A 52 3.762 5.920 0.600 1.00 0.00 O ATOM 770 CB GLU A 52 4.163 8.232 -1.586 1.00 0.00 C ATOM 771 CG GLU A 52 4.370 8.741 -3.014 1.00 0.00 C ATOM 772 CD GLU A 52 4.390 10.270 -3.053 1.00 0.00 C ATOM 773 OE1 GLU A 52 3.429 10.864 -2.519 1.00 0.00 O ATOM 774 OE2 GLU A 52 5.367 10.811 -3.616 1.00 0.00 O ATOM 0 H GLU A 52 3.024 5.557 -1.696 1.00 0.00 H new ATOM 0 HA GLU A 52 5.698 6.777 -1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.103 8.263 -1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.676 8.889 -0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.307 8.351 -3.411 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.572 8.368 -3.656 1.00 0.00 H new ATOM 781 N LEU A 53 5.918 6.603 0.631 1.00 0.00 N ATOM 782 CA LEU A 53 6.121 6.264 2.029 1.00 0.00 C ATOM 783 C LEU A 53 6.368 7.545 2.829 1.00 0.00 C ATOM 784 O LEU A 53 7.460 8.109 2.783 1.00 0.00 O ATOM 785 CB LEU A 53 7.235 5.226 2.173 1.00 0.00 C ATOM 786 CG LEU A 53 7.842 5.082 3.570 1.00 0.00 C ATOM 787 CD1 LEU A 53 6.772 4.703 4.596 1.00 0.00 C ATOM 788 CD2 LEU A 53 9.006 4.090 3.563 1.00 0.00 C ATOM 0 H LEU A 53 6.734 7.000 0.165 1.00 0.00 H new ATOM 0 HA LEU A 53 5.226 5.797 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.842 4.256 1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.034 5.480 1.476 1.00 0.00 H new ATOM 0 HG LEU A 53 8.246 6.050 3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.230 4.607 5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.006 5.478 4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.317 3.754 4.313 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.419 4.007 4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.650 3.113 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.780 4.442 2.881 1.00 0.00 H new ATOM 800 N TYR A 54 5.334 7.967 3.543 1.00 0.00 N ATOM 801 CA TYR A 54 5.425 9.171 4.351 1.00 0.00 C ATOM 802 C TYR A 54 5.818 8.836 5.792 1.00 0.00 C ATOM 803 O TYR A 54 5.489 7.764 6.295 1.00 0.00 O ATOM 804 CB TYR A 54 4.025 9.789 4.348 1.00 0.00 C ATOM 805 CG TYR A 54 3.699 10.582 3.081 1.00 0.00 C ATOM 806 CD1 TYR A 54 3.640 9.941 1.861 1.00 0.00 C ATOM 807 CD2 TYR A 54 3.462 11.940 3.160 1.00 0.00 C ATOM 808 CE1 TYR A 54 3.333 10.688 0.669 1.00 0.00 C ATOM 809 CE2 TYR A 54 3.155 12.687 1.968 1.00 0.00 C ATOM 810 CZ TYR A 54 3.105 12.025 0.781 1.00 0.00 C ATOM 811 OH TYR A 54 2.815 12.730 -0.345 1.00 0.00 O ATOM 0 H TYR A 54 4.430 7.497 3.578 1.00 0.00 H new ATOM 0 HA TYR A 54 6.181 9.846 3.949 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.288 8.995 4.467 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.927 10.447 5.212 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.824 8.879 1.800 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.507 12.442 4.115 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.285 10.198 -0.292 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.969 13.750 2.015 1.00 0.00 H new ATOM 0 HH TYR A 54 3.009 12.181 -1.134 1.00 0.00 H new ATOM 821 N GLY A 55 6.517 9.774 6.414 1.00 0.00 N ATOM 822 CA GLY A 55 6.958 9.592 7.786 1.00 0.00 C ATOM 823 C GLY A 55 5.823 9.883 8.770 1.00 0.00 C ATOM 824 O GLY A 55 4.686 9.470 8.551 1.00 0.00 O ATOM 0 H GLY A 55 6.789 10.662 5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.312 8.571 7.925 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.801 10.252 7.992 1.00 0.00 H new ATOM 828 N ALA A 56 6.172 10.591 9.834 1.00 0.00 N ATOM 829 CA ALA A 56 5.197 10.941 10.853 1.00 0.00 C ATOM 830 C ALA A 56 4.371 12.136 10.372 1.00 0.00 C ATOM 831 O ALA A 56 3.206 11.983 10.009 1.00 0.00 O ATOM 832 CB ALA A 56 5.917 11.224 12.173 1.00 0.00 C ATOM 0 H ALA A 56 7.117 10.932 10.013 1.00 0.00 H new ATOM 0 HA ALA A 56 4.510 10.113 11.028 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.186 11.487 12.937 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.466 10.336 12.486 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.613 12.052 12.038 1.00 0.00 H new ATOM 838 N ASP A 57 5.006 13.298 10.385 1.00 0.00 N ATOM 839 CA ASP A 57 4.345 14.518 9.955 1.00 0.00 C ATOM 840 C ASP A 57 4.212 14.511 8.431 1.00 0.00 C ATOM 841 O ASP A 57 4.693 15.422 7.758 1.00 0.00 O ATOM 842 CB ASP A 57 5.154 15.754 10.353 1.00 0.00 C ATOM 843 CG ASP A 57 5.784 15.693 11.746 1.00 0.00 C ATOM 844 OD1 ASP A 57 5.024 15.426 12.702 1.00 0.00 O ATOM 845 OD2 ASP A 57 7.012 15.914 11.824 1.00 0.00 O ATOM 0 H ASP A 57 5.973 13.421 10.687 1.00 0.00 H new ATOM 0 HA ASP A 57 3.367 14.558 10.435 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.946 15.903 9.619 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.504 16.627 10.303 1.00 0.00 H new ATOM 850 N ASP A 58 3.558 13.473 7.930 1.00 0.00 N ATOM 851 CA ASP A 58 3.357 13.335 6.498 1.00 0.00 C ATOM 852 C ASP A 58 4.608 13.819 5.762 1.00 0.00 C ATOM 853 O ASP A 58 4.597 14.881 5.142 1.00 0.00 O ATOM 854 CB ASP A 58 2.174 14.182 6.024 1.00 0.00 C ATOM 855 CG ASP A 58 1.576 13.763 4.680 1.00 0.00 C ATOM 856 OD1 ASP A 58 1.147 12.592 4.590 1.00 0.00 O ATOM 857 OD2 ASP A 58 1.560 14.622 3.773 1.00 0.00 O ATOM 0 H ASP A 58 3.160 12.719 8.491 1.00 0.00 H new ATOM 0 HA ASP A 58 3.158 12.285 6.286 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.391 14.142 6.781 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.496 15.221 5.953 1.00 0.00 H new ATOM 862 N LYS A 59 5.658 13.015 5.856 1.00 0.00 N ATOM 863 CA LYS A 59 6.915 13.348 5.207 1.00 0.00 C ATOM 864 C LYS A 59 7.321 12.204 4.275 1.00 0.00 C ATOM 865 O LYS A 59 7.769 11.154 4.734 1.00 0.00 O ATOM 866 CB LYS A 59 7.979 13.700 6.249 1.00 0.00 C ATOM 867 CG LYS A 59 8.247 12.516 7.180 1.00 0.00 C ATOM 868 CD LYS A 59 9.158 12.925 8.339 1.00 0.00 C ATOM 869 CE LYS A 59 8.364 13.054 9.641 1.00 0.00 C ATOM 870 NZ LYS A 59 8.439 14.438 10.159 1.00 0.00 N ATOM 0 H LYS A 59 5.664 12.135 6.371 1.00 0.00 H new ATOM 0 HA LYS A 59 6.801 14.238 4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.903 13.989 5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.651 14.560 6.833 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.303 12.136 7.571 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.709 11.704 6.618 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.949 12.185 8.463 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.642 13.874 8.108 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.323 12.780 9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.757 12.360 10.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.854 14.521 11.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.426 14.669 10.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.090 15.099 9.436 1.00 0.00 H new ATOM 884 N PHE A 60 7.150 12.447 2.984 1.00 0.00 N ATOM 885 CA PHE A 60 7.493 11.450 1.984 1.00 0.00 C ATOM 886 C PHE A 60 8.971 11.065 2.078 1.00 0.00 C ATOM 887 O PHE A 60 9.834 11.931 2.213 1.00 0.00 O ATOM 888 CB PHE A 60 7.228 12.081 0.615 1.00 0.00 C ATOM 889 CG PHE A 60 7.795 11.280 -0.559 1.00 0.00 C ATOM 890 CD1 PHE A 60 7.395 9.996 -0.763 1.00 0.00 C ATOM 891 CD2 PHE A 60 8.699 11.852 -1.399 1.00 0.00 C ATOM 892 CE1 PHE A 60 7.920 9.253 -1.852 1.00 0.00 C ATOM 893 CE2 PHE A 60 9.225 11.108 -2.489 1.00 0.00 C ATOM 894 CZ PHE A 60 8.824 9.825 -2.692 1.00 0.00 C ATOM 0 H PHE A 60 6.779 13.319 2.607 1.00 0.00 H new ATOM 0 HA PHE A 60 6.900 10.548 2.138 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.152 12.192 0.480 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.657 13.083 0.599 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.677 9.542 -0.096 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.017 12.871 -1.237 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.602 8.234 -2.014 1.00 0.00 H new ATOM 0 HE2 PHE A 60 9.943 11.561 -3.156 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.224 9.260 -3.521 1.00 0.00 H new ATOM 904 N TYR A 61 9.217 9.765 2.002 1.00 0.00 N ATOM 905 CA TYR A 61 10.575 9.255 2.077 1.00 0.00 C ATOM 906 C TYR A 61 11.036 8.722 0.719 1.00 0.00 C ATOM 907 O TYR A 61 11.757 9.404 -0.007 1.00 0.00 O ATOM 908 CB TYR A 61 10.537 8.100 3.079 1.00 0.00 C ATOM 909 CG TYR A 61 10.717 8.533 4.536 1.00 0.00 C ATOM 910 CD1 TYR A 61 10.620 9.866 4.876 1.00 0.00 C ATOM 911 CD2 TYR A 61 10.978 7.589 5.509 1.00 0.00 C ATOM 912 CE1 TYR A 61 10.789 10.274 6.247 1.00 0.00 C ATOM 913 CE2 TYR A 61 11.147 7.997 6.879 1.00 0.00 C ATOM 914 CZ TYR A 61 11.045 9.319 7.181 1.00 0.00 C ATOM 915 OH TYR A 61 11.205 9.704 8.475 1.00 0.00 O ATOM 0 H TYR A 61 8.498 9.050 1.889 1.00 0.00 H new ATOM 0 HA TYR A 61 11.265 10.044 2.375 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.585 7.579 2.981 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.320 7.385 2.824 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.417 10.604 4.114 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.055 6.545 5.242 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.714 11.314 6.527 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.350 7.269 7.650 1.00 0.00 H new ATOM 0 HH TYR A 61 11.381 8.917 9.031 1.00 0.00 H new ATOM 925 N SER A 62 10.601 7.507 0.418 1.00 0.00 N ATOM 926 CA SER A 62 10.960 6.874 -0.840 1.00 0.00 C ATOM 927 C SER A 62 9.704 6.351 -1.540 1.00 0.00 C ATOM 928 O SER A 62 8.635 6.283 -0.935 1.00 0.00 O ATOM 929 CB SER A 62 11.958 5.736 -0.619 1.00 0.00 C ATOM 930 OG SER A 62 13.295 6.133 -0.912 1.00 0.00 O ATOM 0 H SER A 62 10.003 6.944 1.023 1.00 0.00 H new ATOM 0 HA SER A 62 11.437 7.621 -1.475 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.899 5.398 0.416 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.686 4.888 -1.247 1.00 0.00 H new ATOM 0 HG SER A 62 13.902 5.379 -0.757 1.00 0.00 H new ATOM 936 N LYS A 63 9.875 5.995 -2.805 1.00 0.00 N ATOM 937 CA LYS A 63 8.769 5.480 -3.593 1.00 0.00 C ATOM 938 C LYS A 63 8.828 3.951 -3.609 1.00 0.00 C ATOM 939 O LYS A 63 9.899 3.370 -3.774 1.00 0.00 O ATOM 940 CB LYS A 63 8.765 6.110 -4.987 1.00 0.00 C ATOM 941 CG LYS A 63 8.150 7.511 -4.954 1.00 0.00 C ATOM 942 CD LYS A 63 6.961 7.610 -5.912 1.00 0.00 C ATOM 943 CE LYS A 63 7.069 8.856 -6.793 1.00 0.00 C ATOM 944 NZ LYS A 63 7.344 8.475 -8.197 1.00 0.00 N ATOM 0 H LYS A 63 10.763 6.053 -3.303 1.00 0.00 H new ATOM 0 HA LYS A 63 7.817 5.758 -3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.785 6.166 -5.368 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.202 5.478 -5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.825 7.746 -3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.904 8.250 -5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.920 6.719 -6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.032 7.642 -5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.143 9.428 -6.740 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.864 9.503 -6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.139 9.038 -8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.586 7.465 -8.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.500 8.654 -8.777 1.00 0.00 H new ATOM 958 N LEU A 64 7.663 3.344 -3.436 1.00 0.00 N ATOM 959 CA LEU A 64 7.569 1.894 -3.429 1.00 0.00 C ATOM 960 C LEU A 64 7.349 1.394 -4.858 1.00 0.00 C ATOM 961 O LEU A 64 6.264 0.923 -5.195 1.00 0.00 O ATOM 962 CB LEU A 64 6.494 1.432 -2.444 1.00 0.00 C ATOM 963 CG LEU A 64 6.751 1.754 -0.970 1.00 0.00 C ATOM 964 CD1 LEU A 64 8.210 2.154 -0.743 1.00 0.00 C ATOM 965 CD2 LEU A 64 5.779 2.822 -0.465 1.00 0.00 C ATOM 0 H LEU A 64 6.777 3.830 -3.300 1.00 0.00 H new ATOM 0 HA LEU A 64 8.502 1.454 -3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.545 1.884 -2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.377 0.353 -2.545 1.00 0.00 H new ATOM 0 HG LEU A 64 6.570 0.852 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.366 2.378 0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.863 1.333 -1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.442 3.037 -1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.983 3.032 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.905 3.734 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.756 2.462 -0.571 1.00 0.00 H new ATOM 977 N ASP A 65 8.396 1.515 -5.661 1.00 0.00 N ATOM 978 CA ASP A 65 8.331 1.082 -7.046 1.00 0.00 C ATOM 979 C ASP A 65 8.892 -0.337 -7.159 1.00 0.00 C ATOM 980 O ASP A 65 8.258 -1.215 -7.742 1.00 0.00 O ATOM 981 CB ASP A 65 9.165 1.993 -7.949 1.00 0.00 C ATOM 982 CG ASP A 65 9.157 1.618 -9.432 1.00 0.00 C ATOM 983 OD1 ASP A 65 10.033 0.814 -9.819 1.00 0.00 O ATOM 984 OD2 ASP A 65 8.275 2.143 -10.145 1.00 0.00 O ATOM 0 H ASP A 65 9.294 1.907 -5.378 1.00 0.00 H new ATOM 0 HA ASP A 65 7.288 1.119 -7.362 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.799 3.015 -7.846 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.195 1.986 -7.594 1.00 0.00 H new ATOM 989 N GLN A 66 10.076 -0.518 -6.593 1.00 0.00 N ATOM 990 CA GLN A 66 10.730 -1.815 -6.622 1.00 0.00 C ATOM 991 C GLN A 66 9.708 -2.930 -6.395 1.00 0.00 C ATOM 992 O GLN A 66 9.266 -3.152 -5.269 1.00 0.00 O ATOM 993 CB GLN A 66 11.856 -1.885 -5.589 1.00 0.00 C ATOM 994 CG GLN A 66 12.612 -3.212 -5.691 1.00 0.00 C ATOM 995 CD GLN A 66 13.783 -3.102 -6.670 1.00 0.00 C ATOM 996 OE1 GLN A 66 14.679 -2.288 -6.517 1.00 0.00 O ATOM 997 NE2 GLN A 66 13.726 -3.965 -7.680 1.00 0.00 N ATOM 0 H GLN A 66 10.600 0.213 -6.111 1.00 0.00 H new ATOM 0 HA GLN A 66 11.176 -1.953 -7.607 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.547 -1.056 -5.742 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.442 -1.774 -4.587 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.982 -3.501 -4.707 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.932 -3.998 -6.019 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.947 -4.620 -7.748 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.461 -3.972 -8.387 1.00 0.00 H new ATOM 1006 N GLU A 67 9.361 -3.602 -7.483 1.00 0.00 N ATOM 1007 CA GLU A 67 8.399 -4.689 -7.417 1.00 0.00 C ATOM 1008 C GLU A 67 9.029 -5.916 -6.756 1.00 0.00 C ATOM 1009 O GLU A 67 8.387 -6.590 -5.950 1.00 0.00 O ATOM 1010 CB GLU A 67 7.861 -5.031 -8.808 1.00 0.00 C ATOM 1011 CG GLU A 67 7.216 -3.808 -9.463 1.00 0.00 C ATOM 1012 CD GLU A 67 7.761 -3.592 -10.876 1.00 0.00 C ATOM 1013 OE1 GLU A 67 8.960 -3.254 -10.977 1.00 0.00 O ATOM 1014 OE2 GLU A 67 6.965 -3.769 -11.824 1.00 0.00 O ATOM 0 H GLU A 67 9.729 -3.415 -8.416 1.00 0.00 H new ATOM 0 HA GLU A 67 7.556 -4.365 -6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.673 -5.398 -9.436 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.129 -5.835 -8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.135 -3.940 -9.503 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.407 -2.923 -8.856 1.00 0.00 H new ATOM 1021 N ASP A 68 10.277 -6.170 -7.120 1.00 0.00 N ATOM 1022 CA ASP A 68 11.001 -7.304 -6.572 1.00 0.00 C ATOM 1023 C ASP A 68 11.180 -7.110 -5.065 1.00 0.00 C ATOM 1024 O ASP A 68 11.558 -8.041 -4.356 1.00 0.00 O ATOM 1025 CB ASP A 68 12.390 -7.427 -7.201 1.00 0.00 C ATOM 1026 CG ASP A 68 12.888 -8.861 -7.395 1.00 0.00 C ATOM 1027 OD1 ASP A 68 13.145 -9.517 -6.362 1.00 0.00 O ATOM 1028 OD2 ASP A 68 12.999 -9.269 -8.571 1.00 0.00 O ATOM 0 H ASP A 68 10.806 -5.609 -7.788 1.00 0.00 H new ATOM 0 HA ASP A 68 10.427 -8.205 -6.786 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.379 -6.928 -8.170 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.104 -6.892 -6.575 1.00 0.00 H new ATOM 1033 N ALA A 69 10.899 -5.894 -4.620 1.00 0.00 N ATOM 1034 CA ALA A 69 11.025 -5.565 -3.210 1.00 0.00 C ATOM 1035 C ALA A 69 9.763 -6.016 -2.472 1.00 0.00 C ATOM 1036 O ALA A 69 8.701 -6.153 -3.077 1.00 0.00 O ATOM 1037 CB ALA A 69 11.285 -4.065 -3.056 1.00 0.00 C ATOM 0 H ALA A 69 10.584 -5.124 -5.211 1.00 0.00 H new ATOM 0 HA ALA A 69 11.872 -6.089 -2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.379 -3.819 -1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.207 -3.800 -3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.454 -3.506 -3.486 1.00 0.00 H new ATOM 1043 N LEU A 70 9.921 -6.235 -1.175 1.00 0.00 N ATOM 1044 CA LEU A 70 8.808 -6.668 -0.347 1.00 0.00 C ATOM 1045 C LEU A 70 8.453 -5.558 0.644 1.00 0.00 C ATOM 1046 O LEU A 70 9.335 -4.863 1.146 1.00 0.00 O ATOM 1047 CB LEU A 70 9.124 -8.009 0.318 1.00 0.00 C ATOM 1048 CG LEU A 70 9.551 -9.139 -0.621 1.00 0.00 C ATOM 1049 CD1 LEU A 70 10.288 -10.239 0.145 1.00 0.00 C ATOM 1050 CD2 LEU A 70 8.354 -9.687 -1.400 1.00 0.00 C ATOM 0 H LEU A 70 10.804 -6.121 -0.677 1.00 0.00 H new ATOM 0 HA LEU A 70 7.924 -6.844 -0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.917 -7.852 1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.242 -8.335 0.870 1.00 0.00 H new ATOM 0 HG LEU A 70 10.250 -8.731 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.580 -11.030 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.178 -9.821 0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.632 -10.651 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.685 -10.489 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.612 -10.075 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.910 -8.888 -1.994 1.00 0.00 H new ATOM 1062 N LEU A 71 7.159 -5.426 0.897 1.00 0.00 N ATOM 1063 CA LEU A 71 6.677 -4.412 1.820 1.00 0.00 C ATOM 1064 C LEU A 71 7.256 -4.677 3.210 1.00 0.00 C ATOM 1065 O LEU A 71 6.773 -5.548 3.932 1.00 0.00 O ATOM 1066 CB LEU A 71 5.148 -4.346 1.792 1.00 0.00 C ATOM 1067 CG LEU A 71 4.537 -2.944 1.815 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.023 -3.010 2.028 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.225 -2.063 2.859 1.00 0.00 C ATOM 0 H LEU A 71 6.430 -6.004 0.479 1.00 0.00 H new ATOM 0 HA LEU A 71 7.021 -3.424 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.798 -4.859 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.764 -4.902 2.647 1.00 0.00 H new ATOM 0 HG LEU A 71 4.706 -2.481 0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.613 -2.000 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.566 -3.577 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.810 -3.500 2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.771 -1.072 2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.109 -2.511 3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.285 -1.978 2.621 1.00 0.00 H new ATOM 1081 N GLY A 72 8.284 -3.910 3.545 1.00 0.00 N ATOM 1082 CA GLY A 72 8.934 -4.052 4.836 1.00 0.00 C ATOM 1083 C GLY A 72 10.396 -3.604 4.766 1.00 0.00 C ATOM 1084 O GLY A 72 10.857 -2.842 5.615 1.00 0.00 O ATOM 0 H GLY A 72 8.682 -3.188 2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.404 -3.459 5.581 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.883 -5.091 5.160 1.00 0.00 H new ATOM 1088 N SER A 73 11.083 -4.096 3.746 1.00 0.00 N ATOM 1089 CA SER A 73 12.483 -3.755 3.554 1.00 0.00 C ATOM 1090 C SER A 73 12.668 -2.239 3.629 1.00 0.00 C ATOM 1091 O SER A 73 13.742 -1.758 3.986 1.00 0.00 O ATOM 1092 CB SER A 73 13.001 -4.288 2.217 1.00 0.00 C ATOM 1093 OG SER A 73 13.034 -3.275 1.215 1.00 0.00 O ATOM 0 H SER A 73 10.697 -4.728 3.044 1.00 0.00 H new ATOM 0 HA SER A 73 13.061 -4.224 4.350 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.003 -4.696 2.353 1.00 0.00 H new ATOM 0 HB3 SER A 73 12.365 -5.108 1.883 1.00 0.00 H new ATOM 0 HG SER A 73 13.372 -3.655 0.377 1.00 0.00 H new ATOM 1099 N TYR A 74 11.604 -1.527 3.286 1.00 0.00 N ATOM 1100 CA TYR A 74 11.636 -0.075 3.310 1.00 0.00 C ATOM 1101 C TYR A 74 11.423 0.455 4.729 1.00 0.00 C ATOM 1102 O TYR A 74 11.018 -0.290 5.620 1.00 0.00 O ATOM 1103 CB TYR A 74 10.475 0.387 2.426 1.00 0.00 C ATOM 1104 CG TYR A 74 10.783 0.355 0.928 1.00 0.00 C ATOM 1105 CD1 TYR A 74 11.550 1.352 0.359 1.00 0.00 C ATOM 1106 CD2 TYR A 74 10.293 -0.670 0.144 1.00 0.00 C ATOM 1107 CE1 TYR A 74 11.840 1.322 -1.051 1.00 0.00 C ATOM 1108 CE2 TYR A 74 10.583 -0.700 -1.266 1.00 0.00 C ATOM 1109 CZ TYR A 74 11.342 0.297 -1.794 1.00 0.00 C ATOM 1110 OH TYR A 74 11.615 0.269 -3.126 1.00 0.00 O ATOM 0 H TYR A 74 10.715 -1.929 2.990 1.00 0.00 H new ATOM 0 HA TYR A 74 12.600 0.293 2.960 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.609 -0.245 2.622 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.199 1.403 2.708 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.933 2.155 0.972 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.692 -1.450 0.588 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.439 2.096 -1.508 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.206 -1.497 -1.890 1.00 0.00 H new ATOM 0 HH TYR A 74 12.482 0.694 -3.291 1.00 0.00 H new ATOM 1120 N PRO A 75 11.712 1.773 4.900 1.00 0.00 N ATOM 1121 CA PRO A 75 11.556 2.412 6.196 1.00 0.00 C ATOM 1122 C PRO A 75 10.080 2.659 6.511 1.00 0.00 C ATOM 1123 O PRO A 75 9.680 3.792 6.776 1.00 0.00 O ATOM 1124 CB PRO A 75 12.367 3.694 6.103 1.00 0.00 C ATOM 1125 CG PRO A 75 12.564 3.956 4.618 1.00 0.00 C ATOM 1126 CD PRO A 75 12.194 2.687 3.868 1.00 0.00 C ATOM 0 HA PRO A 75 11.912 1.790 7.017 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.844 4.523 6.580 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.325 3.588 6.611 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.940 4.788 4.291 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.598 4.233 4.413 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.426 2.879 3.119 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.054 2.273 3.343 1.00 0.00 H new ATOM 1134 N VAL A 76 9.310 1.582 6.472 1.00 0.00 N ATOM 1135 CA VAL A 76 7.887 1.668 6.750 1.00 0.00 C ATOM 1136 C VAL A 76 7.528 0.681 7.863 1.00 0.00 C ATOM 1137 O VAL A 76 8.326 -0.191 8.205 1.00 0.00 O ATOM 1138 CB VAL A 76 7.088 1.437 5.466 1.00 0.00 C ATOM 1139 CG1 VAL A 76 7.153 -0.030 5.036 1.00 0.00 C ATOM 1140 CG2 VAL A 76 5.638 1.896 5.632 1.00 0.00 C ATOM 0 H VAL A 76 9.645 0.644 6.252 1.00 0.00 H new ATOM 0 HA VAL A 76 7.627 2.666 7.104 1.00 0.00 H new ATOM 0 HB VAL A 76 7.541 2.038 4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.577 -0.167 4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.191 -0.311 4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.738 -0.659 5.824 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.092 1.721 4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.169 1.335 6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.618 2.960 5.869 1.00 0.00 H new ATOM 1150 N ASP A 77 6.328 0.851 8.397 1.00 0.00 N ATOM 1151 CA ASP A 77 5.854 -0.014 9.464 1.00 0.00 C ATOM 1152 C ASP A 77 4.396 0.326 9.781 1.00 0.00 C ATOM 1153 O ASP A 77 3.868 1.324 9.293 1.00 0.00 O ATOM 1154 CB ASP A 77 6.674 0.185 10.739 1.00 0.00 C ATOM 1155 CG ASP A 77 6.642 -0.990 11.719 1.00 0.00 C ATOM 1156 OD1 ASP A 77 6.157 -2.064 11.301 1.00 0.00 O ATOM 1157 OD2 ASP A 77 7.102 -0.788 12.863 1.00 0.00 O ATOM 0 H ASP A 77 5.669 1.575 8.111 1.00 0.00 H new ATOM 0 HA ASP A 77 5.952 -1.047 9.130 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.710 0.378 10.460 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.311 1.076 11.251 1.00 0.00 H new ATOM 1162 N ASP A 78 3.788 -0.522 10.597 1.00 0.00 N ATOM 1163 CA ASP A 78 2.402 -0.324 10.985 1.00 0.00 C ATOM 1164 C ASP A 78 2.265 1.022 11.700 1.00 0.00 C ATOM 1165 O ASP A 78 2.611 1.142 12.874 1.00 0.00 O ATOM 1166 CB ASP A 78 1.937 -1.420 11.945 1.00 0.00 C ATOM 1167 CG ASP A 78 2.868 -1.679 13.131 1.00 0.00 C ATOM 1168 OD1 ASP A 78 4.001 -2.139 12.873 1.00 0.00 O ATOM 1169 OD2 ASP A 78 2.426 -1.411 14.269 1.00 0.00 O ATOM 0 H ASP A 78 4.230 -1.348 11.000 1.00 0.00 H new ATOM 0 HA ASP A 78 1.791 -0.353 10.083 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.952 -1.153 12.327 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.821 -2.348 11.385 1.00 0.00 H new ATOM 1174 N GLY A 79 1.759 1.999 10.963 1.00 0.00 N ATOM 1175 CA GLY A 79 1.572 3.331 11.512 1.00 0.00 C ATOM 1176 C GLY A 79 1.899 4.404 10.472 1.00 0.00 C ATOM 1177 O GLY A 79 1.397 5.524 10.551 1.00 0.00 O ATOM 0 H GLY A 79 1.472 1.895 9.990 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.542 3.448 11.849 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.210 3.461 12.386 1.00 0.00 H new ATOM 1181 N CYS A 80 2.739 4.024 9.521 1.00 0.00 N ATOM 1182 CA CYS A 80 3.140 4.940 8.466 1.00 0.00 C ATOM 1183 C CYS A 80 1.921 5.220 7.585 1.00 0.00 C ATOM 1184 O CYS A 80 0.809 4.804 7.906 1.00 0.00 O ATOM 1185 CB CYS A 80 4.316 4.390 7.656 1.00 0.00 C ATOM 1186 SG CYS A 80 5.895 4.814 8.478 1.00 0.00 S ATOM 0 H CYS A 80 3.153 3.094 9.459 1.00 0.00 H new ATOM 0 HA CYS A 80 3.492 5.873 8.905 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.226 3.308 7.558 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.299 4.804 6.648 1.00 0.00 H new ATOM 0 HG CYS A 80 6.322 5.959 8.034 1.00 0.00 H new ATOM 1192 N ARG A 81 2.171 5.925 6.491 1.00 0.00 N ATOM 1193 CA ARG A 81 1.108 6.266 5.561 1.00 0.00 C ATOM 1194 C ARG A 81 1.555 5.999 4.122 1.00 0.00 C ATOM 1195 O ARG A 81 2.720 6.200 3.783 1.00 0.00 O ATOM 1196 CB ARG A 81 0.706 7.736 5.699 1.00 0.00 C ATOM 1197 CG ARG A 81 -0.628 8.007 4.999 1.00 0.00 C ATOM 1198 CD ARG A 81 -1.055 9.465 5.182 1.00 0.00 C ATOM 1199 NE ARG A 81 -1.343 9.733 6.609 1.00 0.00 N ATOM 1200 CZ ARG A 81 -0.418 10.109 7.503 1.00 0.00 C ATOM 1201 NH1 ARG A 81 0.858 10.262 7.124 1.00 0.00 N ATOM 1202 NH2 ARG A 81 -0.770 10.330 8.777 1.00 0.00 N ATOM 0 H ARG A 81 3.094 6.269 6.228 1.00 0.00 H new ATOM 0 HA ARG A 81 0.247 5.642 5.799 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.627 7.998 6.754 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.481 8.371 5.270 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.538 7.781 3.936 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.395 7.346 5.402 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.266 10.130 4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.939 9.672 4.579 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.305 9.625 6.932 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.126 10.092 6.155 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.561 10.548 7.805 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.741 10.212 9.066 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.067 10.616 9.458 1.00 0.00 H new ATOM 1216 N ILE A 82 0.605 5.550 3.315 1.00 0.00 N ATOM 1217 CA ILE A 82 0.887 5.254 1.921 1.00 0.00 C ATOM 1218 C ILE A 82 -0.004 6.121 1.029 1.00 0.00 C ATOM 1219 O ILE A 82 -1.197 5.853 0.888 1.00 0.00 O ATOM 1220 CB ILE A 82 0.749 3.753 1.653 1.00 0.00 C ATOM 1221 CG1 ILE A 82 1.619 2.943 2.617 1.00 0.00 C ATOM 1222 CG2 ILE A 82 1.056 3.427 0.191 1.00 0.00 C ATOM 1223 CD1 ILE A 82 3.087 2.974 2.187 1.00 0.00 C ATOM 0 H ILE A 82 -0.360 5.384 3.600 1.00 0.00 H new ATOM 0 HA ILE A 82 1.920 5.504 1.681 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.287 3.466 1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.523 3.346 3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.268 1.912 2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.951 2.354 0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.360 3.963 -0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.076 3.731 -0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.684 2.391 2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.183 2.548 1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.442 4.005 2.178 1.00 0.00 H new ATOM 1235 N HIS A 83 0.608 7.144 0.451 1.00 0.00 N ATOM 1236 CA HIS A 83 -0.115 8.052 -0.423 1.00 0.00 C ATOM 1237 C HIS A 83 -0.076 7.524 -1.858 1.00 0.00 C ATOM 1238 O HIS A 83 0.964 7.573 -2.513 1.00 0.00 O ATOM 1239 CB HIS A 83 0.434 9.476 -0.300 1.00 0.00 C ATOM 1240 CG HIS A 83 -0.383 10.513 -1.032 1.00 0.00 C ATOM 1241 ND1 HIS A 83 -1.666 10.865 -0.649 1.00 0.00 N ATOM 1242 CD2 HIS A 83 -0.086 11.272 -2.126 1.00 0.00 C ATOM 1243 CE1 HIS A 83 -2.111 11.794 -1.483 1.00 0.00 C ATOM 1244 NE2 HIS A 83 -1.131 12.044 -2.398 1.00 0.00 N ATOM 0 H HIS A 83 1.597 7.364 0.571 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.161 8.100 -0.119 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.484 9.746 0.755 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.454 9.496 -0.683 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -2.181 10.476 0.141 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.842 11.249 -2.677 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.080 12.270 -1.445 1.00 0.00 H new ATOM 1252 N VAL A 84 -1.221 7.030 -2.304 1.00 0.00 N ATOM 1253 CA VAL A 84 -1.331 6.493 -3.649 1.00 0.00 C ATOM 1254 C VAL A 84 -1.631 7.632 -4.626 1.00 0.00 C ATOM 1255 O VAL A 84 -2.653 8.306 -4.504 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.384 5.383 -3.685 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -2.550 4.830 -5.102 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.036 4.266 -2.699 1.00 0.00 C ATOM 0 H VAL A 84 -2.081 6.990 -1.757 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.389 6.040 -3.957 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.337 5.815 -3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.304 4.043 -5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.864 5.631 -5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.600 4.421 -5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.800 3.490 -2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.068 3.838 -2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.992 4.673 -1.689 1.00 0.00 H new ATOM 1268 N ILE A 85 -0.722 7.813 -5.572 1.00 0.00 N ATOM 1269 CA ILE A 85 -0.876 8.859 -6.569 1.00 0.00 C ATOM 1270 C ILE A 85 -1.686 8.317 -7.749 1.00 0.00 C ATOM 1271 O ILE A 85 -1.159 7.584 -8.583 1.00 0.00 O ATOM 1272 CB ILE A 85 0.489 9.424 -6.967 1.00 0.00 C ATOM 1273 CG1 ILE A 85 1.270 9.890 -5.737 1.00 0.00 C ATOM 1274 CG2 ILE A 85 0.339 10.537 -8.006 1.00 0.00 C ATOM 1275 CD1 ILE A 85 2.734 10.163 -6.088 1.00 0.00 C ATOM 0 H ILE A 85 0.125 7.253 -5.670 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.435 9.699 -6.157 1.00 0.00 H new ATOM 0 HB ILE A 85 1.067 8.625 -7.431 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.814 10.794 -5.334 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.215 9.130 -4.957 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.324 10.922 -8.272 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.148 10.140 -8.897 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.265 11.343 -7.591 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.267 10.493 -5.196 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.193 9.251 -6.468 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.787 10.940 -6.850 1.00 0.00 H new ATOM 1287 N ASP A 86 -2.954 8.701 -7.780 1.00 0.00 N ATOM 1288 CA ASP A 86 -3.841 8.263 -8.844 1.00 0.00 C ATOM 1289 C ASP A 86 -3.305 8.762 -10.187 1.00 0.00 C ATOM 1290 O ASP A 86 -3.483 9.928 -10.536 1.00 0.00 O ATOM 1291 CB ASP A 86 -5.249 8.833 -8.656 1.00 0.00 C ATOM 1292 CG ASP A 86 -6.078 8.944 -9.937 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -6.366 7.877 -10.521 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -6.405 10.094 -10.303 1.00 0.00 O ATOM 0 H ASP A 86 -3.388 9.310 -7.086 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.886 7.174 -8.819 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.787 8.205 -7.946 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.167 9.823 -8.207 1.00 0.00 H new ATOM 1299 N HIS A 87 -2.660 7.854 -10.904 1.00 0.00 N ATOM 1300 CA HIS A 87 -2.096 8.188 -12.202 1.00 0.00 C ATOM 1301 C HIS A 87 -3.067 7.765 -13.306 1.00 0.00 C ATOM 1302 O HIS A 87 -2.679 7.650 -14.468 1.00 0.00 O ATOM 1303 CB HIS A 87 -0.706 7.570 -12.365 1.00 0.00 C ATOM 1304 CG HIS A 87 0.418 8.450 -11.874 1.00 0.00 C ATOM 1305 ND1 HIS A 87 0.645 9.723 -12.369 1.00 0.00 N ATOM 1306 CD2 HIS A 87 1.376 8.229 -10.928 1.00 0.00 C ATOM 1307 CE1 HIS A 87 1.695 10.234 -11.742 1.00 0.00 C ATOM 1308 NE2 HIS A 87 2.146 9.306 -10.850 1.00 0.00 N ATOM 0 H HIS A 87 -2.515 6.888 -10.612 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.961 9.267 -12.278 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.675 6.623 -11.826 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.542 7.342 -13.418 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.488 7.329 -10.342 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.119 11.213 -11.908 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.944 9.421 -10.226 1.00 0.00 H new