USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 844 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 85 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 117 THR OG1 : rot 180:sc= -0.0236 USER MOD Set 2.1: A 46 THR OG1 : rot 180:sc= -0.076 USER MOD Set 2.2: A 55 GLN : amide:sc= -0.815 K(o=-1.2,f=-2.5!) USER MOD Set 2.3: A 96 TYR OH : rot 30:sc= -0.34 USER MOD Single : A 16 ASN : amide:sc= -0.488 K(o=-0.49,f=-1.3) USER MOD Single : A 21 LYS NZ :NH3+ 143:sc= -0.689 (180deg=-2.63!) USER MOD Single : A 22 LYS NZ :NH3+ 178:sc= -3.03 (180deg=-3.26) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 21:sc= -0.279 USER MOD Single : A 32 SER OG : rot -32:sc= 0.469 USER MOD Single : A 36 LYS NZ :NH3+ -125:sc= -1.15 (180deg=-4.41!) USER MOD Single : A 38 GLN : amide:sc= -5.76! C(o=-5.8!,f=-7.2!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS :FLIP no HD1:sc= -1.55 F(o=-2.8,f=-1.6) USER MOD Single : A 45 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.13) USER MOD Single : A 47 SER OG : rot -47:sc= 0.224 USER MOD Single : A 50 ASN : amide:sc= -0.135 X(o=-0.14,f=-0.14) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot -39:sc= 0.324 USER MOD Single : A 80 MET CE :methyl 162:sc= -3.25! (180deg=-5.08!) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 40:sc= 0.762 USER MOD Single : A 92 SER OG : rot -91:sc= 0.00772 USER MOD Single : A 93 LYS NZ :NH3+ -125:sc= -0.0623 (180deg=-0.777) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.161 USER MOD Single : A 95 CYS SG : rot 180:sc= -0.811 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 HIS :FLIP no HE2:sc= -0.41 F(o=-1.5,f=-0.41) USER MOD Single : A 113 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -123:sc= -1.32 (180deg=-2.22!) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 -6.281 -11.963 3.692 1.00 0.00 N ATOM 121 CA LEU A 11 -7.274 -11.857 2.628 1.00 0.00 C ATOM 122 C LEU A 11 -6.609 -11.893 1.256 1.00 0.00 C ATOM 123 O LEU A 11 -5.738 -11.077 0.956 1.00 0.00 O ATOM 124 CB LEU A 11 -8.080 -10.566 2.783 1.00 0.00 C ATOM 125 CG LEU A 11 -8.945 -10.167 1.587 1.00 0.00 C ATOM 126 CD1 LEU A 11 -10.180 -9.411 2.051 1.00 0.00 C ATOM 127 CD2 LEU A 11 -8.142 -9.329 0.604 1.00 0.00 C ATOM 0 HA LEU A 11 -7.947 -12.711 2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.726 -10.667 3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.387 -9.751 2.992 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.270 -11.075 1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.784 -9.135 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.767 -10.045 2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.876 -8.510 2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.774 -9.054 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.787 -8.426 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.289 -9.905 0.247 1.00 0.00 H new ATOM 139 N ASP A 12 -7.027 -12.843 0.427 1.00 0.00 N ATOM 140 CA ASP A 12 -6.474 -12.984 -0.915 1.00 0.00 C ATOM 141 C ASP A 12 -7.178 -12.048 -1.894 1.00 0.00 C ATOM 142 O ASP A 12 -8.294 -12.321 -2.335 1.00 0.00 O ATOM 143 CB ASP A 12 -6.602 -14.431 -1.393 1.00 0.00 C ATOM 144 CG ASP A 12 -7.922 -15.059 -0.993 1.00 0.00 C ATOM 145 OD1 ASP A 12 -8.971 -14.606 -1.497 1.00 0.00 O ATOM 146 OD2 ASP A 12 -7.907 -16.002 -0.174 1.00 0.00 O ATOM 0 H ASP A 12 -7.747 -13.527 0.661 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.419 -12.714 -0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.502 -14.462 -2.478 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.783 -15.020 -0.981 1.00 0.00 H new ATOM 151 N ILE A 13 -6.518 -10.944 -2.227 1.00 0.00 N ATOM 152 CA ILE A 13 -7.080 -9.969 -3.153 1.00 0.00 C ATOM 153 C ILE A 13 -7.216 -10.555 -4.554 1.00 0.00 C ATOM 154 O ILE A 13 -8.239 -10.378 -5.216 1.00 0.00 O ATOM 155 CB ILE A 13 -6.216 -8.696 -3.223 1.00 0.00 C ATOM 156 CG1 ILE A 13 -6.241 -7.961 -1.881 1.00 0.00 C ATOM 157 CG2 ILE A 13 -6.704 -7.785 -4.340 1.00 0.00 C ATOM 158 CD1 ILE A 13 -5.061 -7.037 -1.675 1.00 0.00 C ATOM 0 H ILE A 13 -5.594 -10.703 -1.869 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.068 -9.708 -2.774 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.187 -8.985 -3.439 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.162 -7.382 -1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.263 -8.694 -1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.083 -6.890 -4.377 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.639 -8.311 -5.293 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.739 -7.501 -4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.145 -6.550 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.137 -7.613 -1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.050 -6.281 -2.460 1.00 0.00 H new ATOM 170 N LEU A 14 -6.179 -11.256 -4.999 1.00 0.00 N ATOM 171 CA LEU A 14 -6.183 -11.872 -6.321 1.00 0.00 C ATOM 172 C LEU A 14 -6.735 -13.292 -6.259 1.00 0.00 C ATOM 173 O LEU A 14 -7.328 -13.781 -7.220 1.00 0.00 O ATOM 174 CB LEU A 14 -4.768 -11.887 -6.902 1.00 0.00 C ATOM 175 CG LEU A 14 -4.084 -10.526 -7.041 1.00 0.00 C ATOM 176 CD1 LEU A 14 -2.572 -10.682 -6.999 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.517 -9.840 -8.328 1.00 0.00 C ATOM 0 H LEU A 14 -5.325 -11.412 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.829 -11.280 -6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.145 -12.522 -6.272 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.806 -12.354 -7.886 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.387 -9.901 -6.201 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.102 -9.704 -7.099 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.279 -11.130 -6.049 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.250 -11.325 -7.818 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.020 -8.873 -8.410 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.244 -10.461 -9.181 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.597 -9.693 -8.317 1.00 0.00 H new ATOM 189 N GLY A 15 -6.536 -13.950 -5.121 1.00 0.00 N ATOM 190 CA GLY A 15 -7.022 -15.307 -4.954 1.00 0.00 C ATOM 191 C GLY A 15 -5.899 -16.325 -4.924 1.00 0.00 C ATOM 192 O GLY A 15 -6.019 -17.373 -4.292 1.00 0.00 O ATOM 0 H GLY A 15 -6.047 -13.567 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.594 -15.374 -4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.705 -15.548 -5.769 1.00 0.00 H new ATOM 196 N ASN A 16 -4.804 -16.016 -5.611 1.00 0.00 N ATOM 197 CA ASN A 16 -3.656 -16.914 -5.663 1.00 0.00 C ATOM 198 C ASN A 16 -3.027 -17.072 -4.282 1.00 0.00 C ATOM 199 O ASN A 16 -2.812 -18.188 -3.811 1.00 0.00 O ATOM 200 CB ASN A 16 -2.614 -16.387 -6.653 1.00 0.00 C ATOM 201 CG ASN A 16 -3.248 -15.705 -7.850 1.00 0.00 C ATOM 202 OD1 ASN A 16 -4.338 -16.077 -8.285 1.00 0.00 O ATOM 203 ND2 ASN A 16 -2.565 -14.703 -8.390 1.00 0.00 N ATOM 0 H ASN A 16 -4.687 -15.151 -6.139 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.005 -17.891 -5.998 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.956 -15.683 -6.143 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.992 -17.214 -6.996 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.940 -14.207 -9.199 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.665 -14.429 -7.996 1.00 0.00 H new ATOM 210 N GLY A 17 -2.733 -15.946 -3.638 1.00 0.00 N ATOM 211 CA GLY A 17 -2.132 -15.982 -2.318 1.00 0.00 C ATOM 212 C GLY A 17 -1.021 -14.964 -2.159 1.00 0.00 C ATOM 213 O GLY A 17 -0.687 -14.567 -1.042 1.00 0.00 O ATOM 0 H GLY A 17 -2.900 -15.010 -4.007 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.900 -15.797 -1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.736 -16.980 -2.130 1.00 0.00 H new ATOM 217 N LEU A 18 -0.445 -14.540 -3.278 1.00 0.00 N ATOM 218 CA LEU A 18 0.638 -13.562 -3.259 1.00 0.00 C ATOM 219 C LEU A 18 0.167 -12.240 -2.661 1.00 0.00 C ATOM 220 O LEU A 18 0.575 -11.863 -1.562 1.00 0.00 O ATOM 221 CB LEU A 18 1.170 -13.334 -4.675 1.00 0.00 C ATOM 222 CG LEU A 18 2.128 -14.398 -5.212 1.00 0.00 C ATOM 223 CD1 LEU A 18 3.282 -14.614 -4.246 1.00 0.00 C ATOM 224 CD2 LEU A 18 1.387 -15.704 -5.461 1.00 0.00 C ATOM 0 H LEU A 18 -0.709 -14.858 -4.210 1.00 0.00 H new ATOM 0 HA LEU A 18 1.440 -13.956 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.320 -13.263 -5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.679 -12.370 -4.700 1.00 0.00 H new ATOM 0 HG LEU A 18 2.536 -14.047 -6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.953 -15.375 -4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.828 -13.680 -4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.893 -14.943 -3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.083 -16.450 -5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.951 -16.059 -4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.595 -15.539 -6.192 1.00 0.00 H new ATOM 236 N LEU A 19 -0.696 -11.541 -3.390 1.00 0.00 N ATOM 237 CA LEU A 19 -1.226 -10.262 -2.931 1.00 0.00 C ATOM 238 C LEU A 19 -2.272 -10.465 -1.840 1.00 0.00 C ATOM 239 O LEU A 19 -3.389 -10.904 -2.112 1.00 0.00 O ATOM 240 CB LEU A 19 -1.837 -9.491 -4.102 1.00 0.00 C ATOM 241 CG LEU A 19 -2.502 -8.158 -3.755 1.00 0.00 C ATOM 242 CD1 LEU A 19 -1.482 -7.187 -3.180 1.00 0.00 C ATOM 243 CD2 LEU A 19 -3.176 -7.563 -4.982 1.00 0.00 C ATOM 0 H LEU A 19 -1.044 -11.839 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.401 -9.684 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.053 -9.303 -4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.578 -10.129 -4.584 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.266 -8.340 -2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.973 -6.244 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.046 -7.611 -2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.695 -7.009 -3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.644 -6.615 -4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.432 -7.395 -5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.936 -8.252 -5.350 1.00 0.00 H new ATOM 255 N ARG A 20 -1.902 -10.142 -0.605 1.00 0.00 N ATOM 256 CA ARG A 20 -2.808 -10.288 0.527 1.00 0.00 C ATOM 257 C ARG A 20 -3.181 -8.926 1.105 1.00 0.00 C ATOM 258 O ARG A 20 -2.623 -7.900 0.715 1.00 0.00 O ATOM 259 CB ARG A 20 -2.168 -11.156 1.612 1.00 0.00 C ATOM 260 CG ARG A 20 -1.607 -12.469 1.090 1.00 0.00 C ATOM 261 CD ARG A 20 -0.872 -13.233 2.179 1.00 0.00 C ATOM 262 NE ARG A 20 0.538 -12.858 2.254 1.00 0.00 N ATOM 263 CZ ARG A 20 1.484 -13.401 1.496 1.00 0.00 C ATOM 264 NH1 ARG A 20 1.173 -14.337 0.610 1.00 0.00 N ATOM 265 NH2 ARG A 20 2.745 -13.006 1.623 1.00 0.00 N ATOM 0 H ARG A 20 -0.981 -9.777 -0.363 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.717 -10.774 0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.367 -10.593 2.090 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.911 -11.368 2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.418 -13.082 0.698 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.928 -12.272 0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.349 -13.043 3.140 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.953 -14.303 1.989 1.00 0.00 H new ATOM 0 HE ARG A 20 0.811 -12.140 2.925 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.205 -14.642 0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.902 -14.752 0.029 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.988 -12.285 2.303 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.471 -13.423 1.041 1.00 0.00 H new ATOM 279 N LYS A 21 -4.128 -8.923 2.036 1.00 0.00 N ATOM 280 CA LYS A 21 -4.576 -7.688 2.669 1.00 0.00 C ATOM 281 C LYS A 21 -4.944 -7.928 4.130 1.00 0.00 C ATOM 282 O LYS A 21 -5.645 -8.886 4.456 1.00 0.00 O ATOM 283 CB LYS A 21 -5.779 -7.113 1.918 1.00 0.00 C ATOM 284 CG LYS A 21 -5.933 -5.610 2.076 1.00 0.00 C ATOM 285 CD LYS A 21 -7.133 -5.088 1.305 1.00 0.00 C ATOM 286 CE LYS A 21 -8.434 -5.368 2.041 1.00 0.00 C ATOM 287 NZ LYS A 21 -9.585 -5.494 1.106 1.00 0.00 N ATOM 0 H LYS A 21 -4.601 -9.763 2.370 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.755 -6.972 2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.683 -7.351 0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.686 -7.602 2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.043 -5.364 3.132 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.029 -5.112 1.725 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.027 -4.015 1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.164 -5.553 0.320 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.334 -6.287 2.619 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.629 -4.564 2.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.232 -6.232 1.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.091 -4.587 1.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.237 -5.752 0.160 1.00 0.00 H new ATOM 301 N LYS A 22 -4.467 -7.051 5.007 1.00 0.00 N ATOM 302 CA LYS A 22 -4.747 -7.164 6.433 1.00 0.00 C ATOM 303 C LYS A 22 -5.072 -5.801 7.035 1.00 0.00 C ATOM 304 O LYS A 22 -4.189 -4.959 7.204 1.00 0.00 O ATOM 305 CB LYS A 22 -3.552 -7.783 7.161 1.00 0.00 C ATOM 306 CG LYS A 22 -3.790 -8.002 8.645 1.00 0.00 C ATOM 307 CD LYS A 22 -2.560 -8.574 9.329 1.00 0.00 C ATOM 308 CE LYS A 22 -1.580 -7.479 9.722 1.00 0.00 C ATOM 309 NZ LYS A 22 -1.846 -6.964 11.094 1.00 0.00 N ATOM 0 H LYS A 22 -3.884 -6.253 4.754 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.615 -7.811 6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.309 -8.738 6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.684 -7.136 7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.062 -7.056 9.114 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.632 -8.680 8.783 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.862 -9.129 10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.068 -9.282 8.662 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.562 -7.866 9.670 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.646 -6.659 9.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.137 -6.243 11.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.795 -6.541 11.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.792 -7.748 11.776 1.00 0.00 H new ATOM 323 N THR A 23 -6.344 -5.588 7.357 1.00 0.00 N ATOM 324 CA THR A 23 -6.785 -4.327 7.940 1.00 0.00 C ATOM 325 C THR A 23 -6.182 -4.121 9.324 1.00 0.00 C ATOM 326 O THR A 23 -6.618 -4.733 10.300 1.00 0.00 O ATOM 327 CB THR A 23 -8.320 -4.264 8.046 1.00 0.00 C ATOM 328 OG1 THR A 23 -8.907 -4.382 6.746 1.00 0.00 O ATOM 329 CG2 THR A 23 -8.764 -2.960 8.692 1.00 0.00 C ATOM 0 H THR A 23 -7.088 -6.273 7.224 1.00 0.00 H new ATOM 0 HA THR A 23 -6.441 -3.534 7.276 1.00 0.00 H new ATOM 0 HB THR A 23 -8.653 -5.093 8.670 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.883 -4.343 6.823 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.852 -2.938 8.756 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.340 -2.887 9.693 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.419 -2.120 8.090 1.00 0.00 H new ATOM 337 N LEU A 24 -5.177 -3.255 9.404 1.00 0.00 N ATOM 338 CA LEU A 24 -4.514 -2.967 10.670 1.00 0.00 C ATOM 339 C LEU A 24 -5.436 -2.188 11.603 1.00 0.00 C ATOM 340 O LEU A 24 -5.525 -2.484 12.794 1.00 0.00 O ATOM 341 CB LEU A 24 -3.228 -2.175 10.427 1.00 0.00 C ATOM 342 CG LEU A 24 -2.127 -2.903 9.655 1.00 0.00 C ATOM 343 CD1 LEU A 24 -0.915 -2.003 9.477 1.00 0.00 C ATOM 344 CD2 LEU A 24 -1.738 -4.190 10.367 1.00 0.00 C ATOM 0 H LEU A 24 -4.804 -2.740 8.606 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.264 -3.916 11.145 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.483 -1.264 9.885 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.825 -1.869 11.393 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.511 -3.159 8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.142 -2.538 8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.203 -1.110 8.923 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.529 -1.715 10.455 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.953 -4.695 9.803 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.373 -3.956 11.367 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.608 -4.842 10.441 1.00 0.00 H new ATOM 356 N VAL A 25 -6.121 -1.191 11.052 1.00 0.00 N ATOM 357 CA VAL A 25 -7.039 -0.371 11.833 1.00 0.00 C ATOM 358 C VAL A 25 -8.264 0.016 11.013 1.00 0.00 C ATOM 359 O VAL A 25 -8.173 0.722 10.009 1.00 0.00 O ATOM 360 CB VAL A 25 -6.352 0.910 12.344 1.00 0.00 C ATOM 361 CG1 VAL A 25 -7.351 1.799 13.068 1.00 0.00 C ATOM 362 CG2 VAL A 25 -5.181 0.560 13.251 1.00 0.00 C ATOM 0 H VAL A 25 -6.057 -0.932 10.068 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.352 -0.972 12.687 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.966 1.462 11.487 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.848 2.699 13.422 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.153 2.077 12.384 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.769 1.259 13.918 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.707 1.476 13.603 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.541 -0.014 14.105 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.455 -0.034 12.695 1.00 0.00 H new ATOM 372 N PRO A 26 -9.441 -0.457 11.449 1.00 0.00 N ATOM 373 CA PRO A 26 -10.709 -0.173 10.771 1.00 0.00 C ATOM 374 C PRO A 26 -11.130 1.286 10.915 1.00 0.00 C ATOM 375 O PRO A 26 -10.848 1.926 11.927 1.00 0.00 O ATOM 376 CB PRO A 26 -11.706 -1.090 11.483 1.00 0.00 C ATOM 377 CG PRO A 26 -11.117 -1.316 12.832 1.00 0.00 C ATOM 378 CD PRO A 26 -9.625 -1.305 12.639 1.00 0.00 C ATOM 0 HA PRO A 26 -10.643 -0.345 9.697 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.690 -0.626 11.553 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.834 -2.029 10.945 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.426 -0.537 13.529 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.450 -2.267 13.249 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.110 -0.895 13.508 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.233 -2.310 12.481 1.00 0.00 H new ATOM 386 N GLY A 27 -11.807 1.805 9.896 1.00 0.00 N ATOM 387 CA GLY A 27 -12.256 3.185 9.930 1.00 0.00 C ATOM 388 C GLY A 27 -13.677 3.320 10.441 1.00 0.00 C ATOM 389 O GLY A 27 -14.346 2.332 10.747 1.00 0.00 O ATOM 0 H GLY A 27 -12.053 1.295 9.048 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.588 3.766 10.566 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.192 3.610 8.928 1.00 0.00 H new ATOM 393 N PRO A 28 -14.158 4.568 10.542 1.00 0.00 N ATOM 394 CA PRO A 28 -15.513 4.858 11.021 1.00 0.00 C ATOM 395 C PRO A 28 -16.585 4.420 10.028 1.00 0.00 C ATOM 396 O PRO A 28 -16.313 4.173 8.853 1.00 0.00 O ATOM 397 CB PRO A 28 -15.516 6.381 11.174 1.00 0.00 C ATOM 398 CG PRO A 28 -14.475 6.860 10.223 1.00 0.00 C ATOM 399 CD PRO A 28 -13.417 5.792 10.195 1.00 0.00 C ATOM 0 HA PRO A 28 -15.743 4.323 11.942 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.493 6.801 10.935 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.283 6.676 12.197 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.896 7.018 9.230 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.059 7.813 10.548 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.950 5.714 9.213 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.621 5.996 10.911 1.00 0.00 H new ATOM 407 N PRO A 29 -17.833 4.321 10.509 1.00 0.00 N ATOM 408 CA PRO A 29 -18.971 3.914 9.680 1.00 0.00 C ATOM 409 C PRO A 29 -19.347 4.974 8.650 1.00 0.00 C ATOM 410 O PRO A 29 -20.275 4.788 7.865 1.00 0.00 O ATOM 411 CB PRO A 29 -20.102 3.730 10.695 1.00 0.00 C ATOM 412 CG PRO A 29 -19.732 4.611 11.838 1.00 0.00 C ATOM 413 CD PRO A 29 -18.229 4.600 11.900 1.00 0.00 C ATOM 0 HA PRO A 29 -18.752 3.018 9.099 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -21.065 4.015 10.271 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -20.187 2.690 11.008 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -20.109 5.623 11.689 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -20.164 4.244 12.769 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -17.834 5.555 12.247 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -17.860 3.835 12.584 1.00 0.00 H new ATOM 421 N GLY A 30 -18.618 6.086 8.659 1.00 0.00 N ATOM 422 CA GLY A 30 -18.891 7.159 7.721 1.00 0.00 C ATOM 423 C GLY A 30 -17.995 7.103 6.500 1.00 0.00 C ATOM 424 O GLY A 30 -18.401 7.494 5.405 1.00 0.00 O ATOM 0 H GLY A 30 -17.844 6.263 9.299 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -19.933 7.106 7.406 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -18.758 8.118 8.222 1.00 0.00 H new ATOM 428 N SER A 31 -16.772 6.617 6.687 1.00 0.00 N ATOM 429 CA SER A 31 -15.814 6.516 5.592 1.00 0.00 C ATOM 430 C SER A 31 -16.379 5.676 4.451 1.00 0.00 C ATOM 431 O SER A 31 -17.378 4.976 4.617 1.00 0.00 O ATOM 432 CB SER A 31 -14.502 5.905 6.089 1.00 0.00 C ATOM 433 OG SER A 31 -14.730 5.019 7.171 1.00 0.00 O ATOM 0 H SER A 31 -16.421 6.287 7.586 1.00 0.00 H new ATOM 0 HA SER A 31 -15.620 7.521 5.218 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.014 5.371 5.274 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.823 6.698 6.401 1.00 0.00 H new ATOM 0 HG SER A 31 -15.664 4.721 7.159 1.00 0.00 H new ATOM 439 N SER A 32 -15.732 5.752 3.292 1.00 0.00 N ATOM 440 CA SER A 32 -16.171 5.002 2.121 1.00 0.00 C ATOM 441 C SER A 32 -15.079 4.968 1.057 1.00 0.00 C ATOM 442 O SER A 32 -14.438 5.982 0.777 1.00 0.00 O ATOM 443 CB SER A 32 -17.445 5.621 1.542 1.00 0.00 C ATOM 444 OG SER A 32 -18.406 5.855 2.557 1.00 0.00 O ATOM 0 H SER A 32 -14.902 6.325 3.139 1.00 0.00 H new ATOM 0 HA SER A 32 -16.382 3.979 2.433 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.203 6.559 1.043 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.864 4.957 0.786 1.00 0.00 H new ATOM 0 HG SER A 32 -18.317 5.174 3.256 1.00 0.00 H new ATOM 450 N ARG A 33 -14.873 3.796 0.467 1.00 0.00 N ATOM 451 CA ARG A 33 -13.858 3.628 -0.566 1.00 0.00 C ATOM 452 C ARG A 33 -13.888 4.791 -1.553 1.00 0.00 C ATOM 453 O ARG A 33 -14.950 5.268 -1.956 1.00 0.00 O ATOM 454 CB ARG A 33 -14.070 2.308 -1.310 1.00 0.00 C ATOM 455 CG ARG A 33 -13.965 1.082 -0.418 1.00 0.00 C ATOM 456 CD ARG A 33 -13.455 -0.125 -1.189 1.00 0.00 C ATOM 457 NE ARG A 33 -13.976 -1.379 -0.650 1.00 0.00 N ATOM 458 CZ ARG A 33 -15.177 -1.863 -0.946 1.00 0.00 C ATOM 459 NH1 ARG A 33 -15.976 -1.203 -1.773 1.00 0.00 N ATOM 460 NH2 ARG A 33 -15.581 -3.010 -0.416 1.00 0.00 N ATOM 0 H ARG A 33 -15.396 2.948 0.687 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.882 3.611 -0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.053 2.320 -1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.333 2.229 -2.110 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.294 1.293 0.415 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.942 0.856 0.009 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.742 -0.034 -2.237 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.366 -0.142 -1.157 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.385 -1.912 -0.012 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.669 -0.321 -2.184 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.898 -1.577 -1.999 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.969 -3.522 0.220 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.504 -3.380 -0.644 1.00 0.00 H new ATOM 474 N PRO A 34 -12.697 5.261 -1.952 1.00 0.00 N ATOM 475 CA PRO A 34 -12.561 6.374 -2.896 1.00 0.00 C ATOM 476 C PRO A 34 -12.993 5.993 -4.307 1.00 0.00 C ATOM 477 O PRO A 34 -13.508 4.899 -4.536 1.00 0.00 O ATOM 478 CB PRO A 34 -11.063 6.687 -2.861 1.00 0.00 C ATOM 479 CG PRO A 34 -10.419 5.411 -2.443 1.00 0.00 C ATOM 480 CD PRO A 34 -11.391 4.741 -1.512 1.00 0.00 C ATOM 0 HA PRO A 34 -13.193 7.219 -2.624 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.703 7.011 -3.838 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.843 7.490 -2.158 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.207 4.780 -3.306 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.468 5.599 -1.945 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.342 3.655 -1.594 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.188 4.992 -0.471 1.00 0.00 H new ATOM 488 N VAL A 35 -12.780 6.904 -5.252 1.00 0.00 N ATOM 489 CA VAL A 35 -13.147 6.662 -6.643 1.00 0.00 C ATOM 490 C VAL A 35 -11.908 6.486 -7.515 1.00 0.00 C ATOM 491 O VAL A 35 -10.808 6.891 -7.140 1.00 0.00 O ATOM 492 CB VAL A 35 -13.998 7.815 -7.207 1.00 0.00 C ATOM 493 CG1 VAL A 35 -13.335 9.155 -6.930 1.00 0.00 C ATOM 494 CG2 VAL A 35 -14.231 7.624 -8.698 1.00 0.00 C ATOM 0 H VAL A 35 -12.356 7.815 -5.080 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.734 5.744 -6.661 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.966 7.807 -6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.952 9.957 -7.336 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.225 9.291 -5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.352 9.179 -7.401 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.834 8.448 -9.080 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.272 7.605 -9.217 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.754 6.683 -8.867 1.00 0.00 H new ATOM 504 N LYS A 36 -12.095 5.878 -8.681 1.00 0.00 N ATOM 505 CA LYS A 36 -10.994 5.648 -9.610 1.00 0.00 C ATOM 506 C LYS A 36 -10.845 6.818 -10.577 1.00 0.00 C ATOM 507 O LYS A 36 -11.720 7.067 -11.405 1.00 0.00 O ATOM 508 CB LYS A 36 -11.221 4.352 -10.391 1.00 0.00 C ATOM 509 CG LYS A 36 -10.260 4.167 -11.553 1.00 0.00 C ATOM 510 CD LYS A 36 -10.753 3.103 -12.520 1.00 0.00 C ATOM 511 CE LYS A 36 -10.360 1.707 -12.061 1.00 0.00 C ATOM 512 NZ LYS A 36 -9.033 1.299 -12.600 1.00 0.00 N ATOM 0 H LYS A 36 -12.999 5.535 -9.006 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.075 5.559 -9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.123 3.506 -9.711 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.243 4.340 -10.770 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.140 5.113 -12.081 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.277 3.887 -11.173 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.837 3.166 -12.610 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.340 3.291 -13.511 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.334 1.677 -10.972 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.118 0.992 -12.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.127 0.396 -13.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.684 2.029 -13.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.359 1.187 -11.816 1.00 0.00 H new ATOM 526 N GLY A 37 -9.730 7.534 -10.467 1.00 0.00 N ATOM 527 CA GLY A 37 -9.486 8.668 -11.339 1.00 0.00 C ATOM 528 C GLY A 37 -9.306 9.962 -10.570 1.00 0.00 C ATOM 529 O GLY A 37 -9.250 11.039 -11.162 1.00 0.00 O ATOM 0 H GLY A 37 -8.991 7.349 -9.789 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.595 8.477 -11.937 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.319 8.774 -12.033 1.00 0.00 H new ATOM 533 N GLN A 38 -9.216 9.856 -9.248 1.00 0.00 N ATOM 534 CA GLN A 38 -9.044 11.028 -8.398 1.00 0.00 C ATOM 535 C GLN A 38 -7.698 10.987 -7.681 1.00 0.00 C ATOM 536 O GLN A 38 -7.018 9.961 -7.674 1.00 0.00 O ATOM 537 CB GLN A 38 -10.177 11.113 -7.375 1.00 0.00 C ATOM 538 CG GLN A 38 -11.504 11.554 -7.972 1.00 0.00 C ATOM 539 CD GLN A 38 -12.387 12.269 -6.969 1.00 0.00 C ATOM 540 OE1 GLN A 38 -13.562 11.937 -6.810 1.00 0.00 O ATOM 541 NE2 GLN A 38 -11.824 13.258 -6.284 1.00 0.00 N ATOM 0 H GLN A 38 -9.259 8.971 -8.743 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.071 11.913 -9.033 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.305 10.138 -6.906 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.893 11.811 -6.587 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.315 12.213 -8.819 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.032 10.682 -8.358 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.847 13.500 -6.448 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.369 13.776 -5.594 1.00 0.00 H new ATOM 550 N VAL A 39 -7.319 12.110 -7.080 1.00 0.00 N ATOM 551 CA VAL A 39 -6.055 12.203 -6.360 1.00 0.00 C ATOM 552 C VAL A 39 -6.168 11.586 -4.970 1.00 0.00 C ATOM 553 O VAL A 39 -6.871 12.106 -4.103 1.00 0.00 O ATOM 554 CB VAL A 39 -5.592 13.666 -6.224 1.00 0.00 C ATOM 555 CG1 VAL A 39 -4.388 13.761 -5.299 1.00 0.00 C ATOM 556 CG2 VAL A 39 -5.272 14.252 -7.591 1.00 0.00 C ATOM 0 H VAL A 39 -7.870 12.969 -7.078 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.318 11.649 -6.942 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.403 14.247 -5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.075 14.802 -5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.656 13.382 -4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.569 13.167 -5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.947 15.286 -7.477 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.477 13.671 -8.059 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.163 14.219 -8.218 1.00 0.00 H new ATOM 566 N VAL A 40 -5.470 10.474 -4.763 1.00 0.00 N ATOM 567 CA VAL A 40 -5.490 9.786 -3.478 1.00 0.00 C ATOM 568 C VAL A 40 -4.152 9.924 -2.760 1.00 0.00 C ATOM 569 O VAL A 40 -3.099 9.617 -3.321 1.00 0.00 O ATOM 570 CB VAL A 40 -5.818 8.291 -3.646 1.00 0.00 C ATOM 571 CG1 VAL A 40 -7.319 8.060 -3.551 1.00 0.00 C ATOM 572 CG2 VAL A 40 -5.273 7.772 -4.969 1.00 0.00 C ATOM 0 H VAL A 40 -4.883 10.030 -5.469 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.271 10.256 -2.880 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.338 7.738 -2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.532 6.998 -3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.678 8.393 -2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.824 8.623 -4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.514 6.714 -5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.723 8.328 -5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.191 7.902 -4.993 1.00 0.00 H new ATOM 582 N THR A 41 -4.199 10.386 -1.515 1.00 0.00 N ATOM 583 CA THR A 41 -2.991 10.565 -0.719 1.00 0.00 C ATOM 584 C THR A 41 -2.930 9.557 0.422 1.00 0.00 C ATOM 585 O THR A 41 -3.768 9.573 1.324 1.00 0.00 O ATOM 586 CB THR A 41 -2.908 11.989 -0.137 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.259 12.950 -1.139 1.00 0.00 O ATOM 588 CG2 THR A 41 -1.508 12.280 0.383 1.00 0.00 C ATOM 0 H THR A 41 -5.062 10.643 -1.035 1.00 0.00 H new ATOM 0 HA THR A 41 -2.145 10.404 -1.387 1.00 0.00 H new ATOM 0 HB THR A 41 -3.610 12.059 0.694 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.205 13.852 -0.760 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.474 13.291 0.789 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.255 11.565 1.166 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.791 12.192 -0.433 1.00 0.00 H new ATOM 596 N VAL A 42 -1.932 8.680 0.379 1.00 0.00 N ATOM 597 CA VAL A 42 -1.760 7.665 1.411 1.00 0.00 C ATOM 598 C VAL A 42 -0.316 7.614 1.897 1.00 0.00 C ATOM 599 O VAL A 42 0.532 8.380 1.438 1.00 0.00 O ATOM 600 CB VAL A 42 -2.168 6.271 0.900 1.00 0.00 C ATOM 601 CG1 VAL A 42 -3.417 6.362 0.037 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.024 5.630 0.130 1.00 0.00 C ATOM 0 H VAL A 42 -1.230 8.652 -0.360 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.409 7.944 2.241 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.395 5.641 1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.690 5.367 -0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.236 6.776 0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.222 7.008 -0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.330 4.645 -0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.763 6.257 -0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.158 5.528 0.784 1.00 0.00 H new ATOM 612 N HIS A 43 -0.043 6.707 2.829 1.00 0.00 N ATOM 613 CA HIS A 43 1.300 6.554 3.378 1.00 0.00 C ATOM 614 C HIS A 43 1.821 5.138 3.153 1.00 0.00 C ATOM 615 O HIS A 43 1.472 4.213 3.887 1.00 0.00 O ATOM 616 CB HIS A 43 1.304 6.881 4.871 1.00 0.00 C ATOM 617 CG HIS A 43 2.676 6.934 5.469 1.00 0.00 C ATOM 618 ND1 HIS A 43 3.822 6.310 5.112 1.00 0.00 N flip ATOM 619 CD2 HIS A 43 2.987 7.700 6.573 1.00 0.00 C flip ATOM 620 CE1 HIS A 43 4.795 6.706 5.996 1.00 0.00 C flip ATOM 621 NE2 HIS A 43 4.265 7.546 6.867 1.00 0.00 N flip ATOM 0 H HIS A 43 -0.734 6.067 3.220 1.00 0.00 H new ATOM 0 HA HIS A 43 1.959 7.251 2.860 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.812 7.841 5.025 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.715 6.132 5.400 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.293 8.328 7.113 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.826 6.383 5.982 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.759 7.999 7.636 1.00 0.00 H new ATOM 630 N LEU A 44 2.658 4.976 2.134 1.00 0.00 N ATOM 631 CA LEU A 44 3.227 3.672 1.811 1.00 0.00 C ATOM 632 C LEU A 44 4.640 3.541 2.370 1.00 0.00 C ATOM 633 O LEU A 44 5.437 4.476 2.292 1.00 0.00 O ATOM 634 CB LEU A 44 3.244 3.461 0.296 1.00 0.00 C ATOM 635 CG LEU A 44 4.401 2.625 -0.252 1.00 0.00 C ATOM 636 CD1 LEU A 44 5.709 3.394 -0.155 1.00 0.00 C ATOM 637 CD2 LEU A 44 4.501 1.301 0.492 1.00 0.00 C ATOM 0 H LEU A 44 2.958 5.731 1.517 1.00 0.00 H new ATOM 0 HA LEU A 44 2.602 2.907 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.308 2.984 0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.268 4.438 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 44 4.206 2.414 -1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.521 2.783 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.634 4.315 -0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.912 3.637 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.330 0.719 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.673 1.491 1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.572 0.744 0.369 1.00 0.00 H new ATOM 649 N GLN A 45 4.944 2.375 2.931 1.00 0.00 N ATOM 650 CA GLN A 45 6.262 2.123 3.502 1.00 0.00 C ATOM 651 C GLN A 45 6.786 0.755 3.076 1.00 0.00 C ATOM 652 O GLN A 45 6.260 -0.279 3.489 1.00 0.00 O ATOM 653 CB GLN A 45 6.205 2.208 5.028 1.00 0.00 C ATOM 654 CG GLN A 45 6.114 3.631 5.555 1.00 0.00 C ATOM 655 CD GLN A 45 6.491 3.737 7.019 1.00 0.00 C ATOM 656 OE1 GLN A 45 5.716 4.233 7.837 1.00 0.00 O ATOM 657 NE2 GLN A 45 7.686 3.268 7.359 1.00 0.00 N ATOM 0 H GLN A 45 4.296 1.590 3.002 1.00 0.00 H new ATOM 0 HA GLN A 45 6.945 2.886 3.129 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.344 1.642 5.383 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.093 1.732 5.444 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.769 4.274 4.968 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.098 4.001 5.418 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.297 2.865 6.648 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.993 3.311 8.331 1.00 0.00 H new ATOM 666 N THR A 46 7.825 0.757 2.248 1.00 0.00 N ATOM 667 CA THR A 46 8.420 -0.483 1.765 1.00 0.00 C ATOM 668 C THR A 46 9.465 -1.009 2.742 1.00 0.00 C ATOM 669 O THR A 46 10.342 -0.268 3.186 1.00 0.00 O ATOM 670 CB THR A 46 9.076 -0.291 0.384 1.00 0.00 C ATOM 671 OG1 THR A 46 8.181 0.406 -0.490 1.00 0.00 O ATOM 672 CG2 THR A 46 9.449 -1.633 -0.228 1.00 0.00 C ATOM 0 H THR A 46 8.272 1.604 1.897 1.00 0.00 H new ATOM 0 HA THR A 46 7.611 -1.208 1.677 1.00 0.00 H new ATOM 0 HB THR A 46 9.985 0.296 0.515 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.605 0.526 -1.365 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.910 -1.473 -1.202 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.152 -2.148 0.426 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.552 -2.241 -0.347 1.00 0.00 H new ATOM 680 N SER A 47 9.365 -2.292 3.074 1.00 0.00 N ATOM 681 CA SER A 47 10.300 -2.917 4.002 1.00 0.00 C ATOM 682 C SER A 47 10.522 -4.384 3.646 1.00 0.00 C ATOM 683 O SER A 47 9.595 -5.080 3.229 1.00 0.00 O ATOM 684 CB SER A 47 9.782 -2.801 5.437 1.00 0.00 C ATOM 685 OG SER A 47 8.460 -3.301 5.543 1.00 0.00 O ATOM 0 H SER A 47 8.646 -2.919 2.714 1.00 0.00 H new ATOM 0 HA SER A 47 11.254 -2.395 3.924 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.438 -3.353 6.110 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.806 -1.758 5.753 1.00 0.00 H new ATOM 0 HG SER A 47 7.914 -2.939 4.814 1.00 0.00 H new ATOM 691 N LEU A 48 11.756 -4.847 3.813 1.00 0.00 N ATOM 692 CA LEU A 48 12.101 -6.231 3.509 1.00 0.00 C ATOM 693 C LEU A 48 11.424 -7.188 4.485 1.00 0.00 C ATOM 694 O LEU A 48 11.223 -6.857 5.654 1.00 0.00 O ATOM 695 CB LEU A 48 13.618 -6.422 3.559 1.00 0.00 C ATOM 696 CG LEU A 48 14.367 -6.193 2.246 1.00 0.00 C ATOM 697 CD1 LEU A 48 14.076 -7.316 1.263 1.00 0.00 C ATOM 698 CD2 LEU A 48 13.992 -4.845 1.646 1.00 0.00 C ATOM 0 H LEU A 48 12.534 -4.284 4.157 1.00 0.00 H new ATOM 0 HA LEU A 48 11.746 -6.456 2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.025 -5.744 4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.825 -7.436 3.900 1.00 0.00 H new ATOM 0 HG LEU A 48 15.437 -6.190 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.618 -7.136 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.395 -8.266 1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.006 -7.352 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.535 -4.699 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.920 -4.819 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.253 -4.050 2.345 1.00 0.00 H new ATOM 710 N GLU A 49 11.077 -8.375 3.998 1.00 0.00 N ATOM 711 CA GLU A 49 10.424 -9.380 4.829 1.00 0.00 C ATOM 712 C GLU A 49 11.197 -9.599 6.126 1.00 0.00 C ATOM 713 O GLU A 49 10.622 -9.964 7.150 1.00 0.00 O ATOM 714 CB GLU A 49 10.298 -10.701 4.067 1.00 0.00 C ATOM 715 CG GLU A 49 9.258 -11.643 4.650 1.00 0.00 C ATOM 716 CD GLU A 49 7.854 -11.076 4.581 1.00 0.00 C ATOM 717 OE1 GLU A 49 7.549 -10.361 3.604 1.00 0.00 O ATOM 718 OE2 GLU A 49 7.059 -11.348 5.505 1.00 0.00 O ATOM 0 H GLU A 49 11.237 -8.664 3.033 1.00 0.00 H new ATOM 0 HA GLU A 49 9.427 -9.017 5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.043 -10.489 3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.266 -11.201 4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.290 -12.591 4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.509 -11.857 5.689 1.00 0.00 H new ATOM 725 N ASN A 50 12.506 -9.375 6.073 1.00 0.00 N ATOM 726 CA ASN A 50 13.360 -9.549 7.243 1.00 0.00 C ATOM 727 C ASN A 50 13.180 -8.395 8.224 1.00 0.00 C ATOM 728 O ASN A 50 13.014 -8.607 9.424 1.00 0.00 O ATOM 729 CB ASN A 50 14.827 -9.649 6.819 1.00 0.00 C ATOM 730 CG ASN A 50 15.004 -10.423 5.527 1.00 0.00 C ATOM 731 OD1 ASN A 50 14.700 -11.614 5.458 1.00 0.00 O ATOM 732 ND2 ASN A 50 15.498 -9.748 4.496 1.00 0.00 N ATOM 0 H ASN A 50 12.999 -9.073 5.233 1.00 0.00 H new ATOM 0 HA ASN A 50 13.069 -10.474 7.740 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.236 -8.646 6.698 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.399 -10.133 7.611 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.640 -10.216 3.601 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.736 -8.762 4.599 1.00 0.00 H new ATOM 739 N GLY A 51 13.213 -7.172 7.704 1.00 0.00 N ATOM 740 CA GLY A 51 13.052 -6.002 8.548 1.00 0.00 C ATOM 741 C GLY A 51 13.976 -4.868 8.150 1.00 0.00 C ATOM 742 O GLY A 51 14.521 -4.172 9.007 1.00 0.00 O ATOM 0 H GLY A 51 13.348 -6.970 6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.018 -5.660 8.496 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.245 -6.277 9.585 1.00 0.00 H new ATOM 746 N THR A 52 14.155 -4.682 6.846 1.00 0.00 N ATOM 747 CA THR A 52 15.021 -3.628 6.336 1.00 0.00 C ATOM 748 C THR A 52 14.242 -2.647 5.468 1.00 0.00 C ATOM 749 O THR A 52 14.014 -2.897 4.284 1.00 0.00 O ATOM 750 CB THR A 52 16.189 -4.207 5.515 1.00 0.00 C ATOM 751 OG1 THR A 52 16.875 -5.207 6.277 1.00 0.00 O ATOM 752 CG2 THR A 52 17.163 -3.111 5.112 1.00 0.00 C ATOM 0 H THR A 52 13.711 -5.249 6.124 1.00 0.00 H new ATOM 0 HA THR A 52 15.422 -3.103 7.203 1.00 0.00 H new ATOM 0 HB THR A 52 15.780 -4.657 4.610 1.00 0.00 H new ATOM 0 HG1 THR A 52 17.615 -5.571 5.748 1.00 0.00 H new ATOM 0 HG21 THR A 52 17.979 -3.544 4.533 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.644 -2.367 4.507 1.00 0.00 H new ATOM 0 HG23 THR A 52 17.565 -2.635 6.006 1.00 0.00 H new ATOM 760 N ARG A 53 13.835 -1.530 6.063 1.00 0.00 N ATOM 761 CA ARG A 53 13.080 -0.512 5.343 1.00 0.00 C ATOM 762 C ARG A 53 13.881 0.023 4.159 1.00 0.00 C ATOM 763 O ARG A 53 14.994 0.522 4.325 1.00 0.00 O ATOM 764 CB ARG A 53 12.708 0.637 6.282 1.00 0.00 C ATOM 765 CG ARG A 53 11.410 0.408 7.039 1.00 0.00 C ATOM 766 CD ARG A 53 10.806 1.719 7.518 1.00 0.00 C ATOM 767 NE ARG A 53 11.490 2.238 8.699 1.00 0.00 N ATOM 768 CZ ARG A 53 12.515 3.081 8.644 1.00 0.00 C ATOM 769 NH1 ARG A 53 12.972 3.499 7.471 1.00 0.00 N ATOM 770 NH2 ARG A 53 13.085 3.508 9.763 1.00 0.00 N ATOM 0 H ARG A 53 14.016 -1.307 7.042 1.00 0.00 H new ATOM 0 HA ARG A 53 12.167 -0.972 4.964 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.516 0.785 6.999 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.623 1.556 5.702 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.698 -0.108 6.395 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.596 -0.242 7.894 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.857 2.456 6.716 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.751 1.570 7.747 1.00 0.00 H new ATOM 0 HE ARG A 53 11.163 1.937 9.617 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.536 3.173 6.608 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.759 4.146 7.432 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.736 3.189 10.667 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.872 4.155 9.720 1.00 0.00 H new ATOM 784 N VAL A 54 13.307 -0.084 2.966 1.00 0.00 N ATOM 785 CA VAL A 54 13.966 0.390 1.754 1.00 0.00 C ATOM 786 C VAL A 54 13.595 1.838 1.457 1.00 0.00 C ATOM 787 O VAL A 54 14.466 2.684 1.258 1.00 0.00 O ATOM 788 CB VAL A 54 13.600 -0.482 0.539 1.00 0.00 C ATOM 789 CG1 VAL A 54 14.267 0.050 -0.720 1.00 0.00 C ATOM 790 CG2 VAL A 54 13.991 -1.932 0.787 1.00 0.00 C ATOM 0 H VAL A 54 12.386 -0.495 2.812 1.00 0.00 H new ATOM 0 HA VAL A 54 15.040 0.322 1.930 1.00 0.00 H new ATOM 0 HB VAL A 54 12.520 -0.440 0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.997 -0.579 -1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 54 13.934 1.071 -0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 54 15.349 0.039 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 54 13.725 -2.534 -0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 54 15.066 -1.995 0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.462 -2.307 1.664 1.00 0.00 H new ATOM 800 N GLN A 55 12.295 2.116 1.429 1.00 0.00 N ATOM 801 CA GLN A 55 11.809 3.463 1.156 1.00 0.00 C ATOM 802 C GLN A 55 10.633 3.812 2.063 1.00 0.00 C ATOM 803 O GLN A 55 9.835 2.946 2.420 1.00 0.00 O ATOM 804 CB GLN A 55 11.392 3.590 -0.311 1.00 0.00 C ATOM 805 CG GLN A 55 10.045 2.955 -0.617 1.00 0.00 C ATOM 806 CD GLN A 55 9.435 3.472 -1.905 1.00 0.00 C ATOM 807 OE1 GLN A 55 9.009 2.695 -2.760 1.00 0.00 O ATOM 808 NE2 GLN A 55 9.390 4.791 -2.051 1.00 0.00 N ATOM 0 H GLN A 55 11.561 1.427 1.592 1.00 0.00 H new ATOM 0 HA GLN A 55 12.620 4.163 1.358 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.356 4.646 -0.580 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.154 3.127 -0.938 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.164 1.874 -0.684 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.360 3.149 0.208 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.755 5.398 -1.317 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.991 5.197 -2.897 1.00 0.00 H new ATOM 817 N GLU A 56 10.534 5.085 2.431 1.00 0.00 N ATOM 818 CA GLU A 56 9.456 5.547 3.298 1.00 0.00 C ATOM 819 C GLU A 56 8.794 6.797 2.724 1.00 0.00 C ATOM 820 O GLU A 56 9.348 7.893 2.797 1.00 0.00 O ATOM 821 CB GLU A 56 9.990 5.838 4.702 1.00 0.00 C ATOM 822 CG GLU A 56 8.947 6.422 5.640 1.00 0.00 C ATOM 823 CD GLU A 56 9.564 7.105 6.845 1.00 0.00 C ATOM 824 OE1 GLU A 56 10.394 6.468 7.527 1.00 0.00 O ATOM 825 OE2 GLU A 56 9.217 8.276 7.107 1.00 0.00 O ATOM 0 H GLU A 56 11.186 5.814 2.143 1.00 0.00 H new ATOM 0 HA GLU A 56 8.708 4.756 3.358 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.378 4.915 5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.828 6.531 4.627 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.334 7.140 5.094 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.282 5.627 5.978 1.00 0.00 H new ATOM 832 N GLU A 57 7.606 6.622 2.154 1.00 0.00 N ATOM 833 CA GLU A 57 6.870 7.735 1.567 1.00 0.00 C ATOM 834 C GLU A 57 5.705 8.149 2.461 1.00 0.00 C ATOM 835 O GLU A 57 4.658 7.501 2.500 1.00 0.00 O ATOM 836 CB GLU A 57 6.351 7.357 0.178 1.00 0.00 C ATOM 837 CG GLU A 57 6.237 8.537 -0.772 1.00 0.00 C ATOM 838 CD GLU A 57 6.434 8.140 -2.222 1.00 0.00 C ATOM 839 OE1 GLU A 57 7.132 7.136 -2.474 1.00 0.00 O ATOM 840 OE2 GLU A 57 5.889 8.835 -3.106 1.00 0.00 O ATOM 0 H GLU A 57 7.133 5.721 2.086 1.00 0.00 H new ATOM 0 HA GLU A 57 7.553 8.579 1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.017 6.613 -0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.372 6.888 0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.257 8.999 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.978 9.289 -0.501 1.00 0.00 H new ATOM 847 N PRO A 58 5.889 9.254 3.198 1.00 0.00 N ATOM 848 CA PRO A 58 4.865 9.780 4.106 1.00 0.00 C ATOM 849 C PRO A 58 3.670 10.360 3.358 1.00 0.00 C ATOM 850 O PRO A 58 2.522 10.020 3.645 1.00 0.00 O ATOM 851 CB PRO A 58 5.602 10.881 4.872 1.00 0.00 C ATOM 852 CG PRO A 58 6.700 11.308 3.960 1.00 0.00 C ATOM 853 CD PRO A 58 7.111 10.076 3.202 1.00 0.00 C ATOM 0 HA PRO A 58 4.449 9.002 4.746 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.937 11.712 5.107 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.995 10.509 5.818 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.361 12.090 3.280 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.538 11.717 4.523 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.437 10.317 2.190 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.939 9.562 3.689 1.00 0.00 H new ATOM 861 N GLU A 59 3.947 11.236 2.397 1.00 0.00 N ATOM 862 CA GLU A 59 2.892 11.863 1.609 1.00 0.00 C ATOM 863 C GLU A 59 2.875 11.310 0.186 1.00 0.00 C ATOM 864 O GLU A 59 3.298 11.980 -0.757 1.00 0.00 O ATOM 865 CB GLU A 59 3.084 13.380 1.575 1.00 0.00 C ATOM 866 CG GLU A 59 2.034 14.108 0.752 1.00 0.00 C ATOM 867 CD GLU A 59 2.064 15.609 0.965 1.00 0.00 C ATOM 868 OE1 GLU A 59 1.369 16.093 1.883 1.00 0.00 O ATOM 869 OE2 GLU A 59 2.783 16.300 0.212 1.00 0.00 O ATOM 0 H GLU A 59 4.892 11.527 2.146 1.00 0.00 H new ATOM 0 HA GLU A 59 1.936 11.635 2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.064 13.763 2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.071 13.604 1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.191 13.891 -0.305 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.046 13.728 1.012 1.00 0.00 H new ATOM 876 N LEU A 60 2.385 10.084 0.040 1.00 0.00 N ATOM 877 CA LEU A 60 2.312 9.440 -1.267 1.00 0.00 C ATOM 878 C LEU A 60 1.029 9.826 -1.994 1.00 0.00 C ATOM 879 O LEU A 60 -0.068 9.698 -1.450 1.00 0.00 O ATOM 880 CB LEU A 60 2.387 7.920 -1.112 1.00 0.00 C ATOM 881 CG LEU A 60 2.115 7.102 -2.376 1.00 0.00 C ATOM 882 CD1 LEU A 60 0.647 7.191 -2.763 1.00 0.00 C ATOM 883 CD2 LEU A 60 3.000 7.578 -3.519 1.00 0.00 C ATOM 0 H LEU A 60 2.032 9.516 0.810 1.00 0.00 H new ATOM 0 HA LEU A 60 3.160 9.781 -1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.379 7.661 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.672 7.617 -0.347 1.00 0.00 H new ATOM 0 HG LEU A 60 2.352 6.058 -2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.472 6.603 -3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.032 6.802 -1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.383 8.232 -2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.793 6.985 -4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.794 8.628 -3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.047 7.462 -3.241 1.00 0.00 H new ATOM 895 N VAL A 61 1.173 10.297 -3.228 1.00 0.00 N ATOM 896 CA VAL A 61 0.024 10.699 -4.032 1.00 0.00 C ATOM 897 C VAL A 61 0.099 10.103 -5.433 1.00 0.00 C ATOM 898 O VAL A 61 1.185 9.914 -5.982 1.00 0.00 O ATOM 899 CB VAL A 61 -0.074 12.232 -4.143 1.00 0.00 C ATOM 900 CG1 VAL A 61 1.146 12.796 -4.856 1.00 0.00 C ATOM 901 CG2 VAL A 61 -1.354 12.632 -4.861 1.00 0.00 C ATOM 0 H VAL A 61 2.074 10.410 -3.693 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.865 10.321 -3.526 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.102 12.651 -3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.058 13.880 -4.925 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.045 12.539 -4.296 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.209 12.373 -5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.408 13.718 -4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.358 12.203 -5.863 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.215 12.261 -4.304 1.00 0.00 H new ATOM 911 N PHE A 62 -1.063 9.809 -6.008 1.00 0.00 N ATOM 912 CA PHE A 62 -1.130 9.233 -7.346 1.00 0.00 C ATOM 913 C PHE A 62 -2.558 9.266 -7.881 1.00 0.00 C ATOM 914 O PHE A 62 -3.495 9.616 -7.163 1.00 0.00 O ATOM 915 CB PHE A 62 -0.611 7.794 -7.332 1.00 0.00 C ATOM 916 CG PHE A 62 -1.512 6.839 -6.600 1.00 0.00 C ATOM 917 CD1 PHE A 62 -2.737 6.475 -7.135 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.132 6.307 -5.378 1.00 0.00 C ATOM 919 CE1 PHE A 62 -3.567 5.598 -6.463 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.959 5.429 -4.702 1.00 0.00 C ATOM 921 CZ PHE A 62 -3.177 5.073 -5.246 1.00 0.00 C ATOM 0 H PHE A 62 -1.971 9.960 -5.568 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.500 9.832 -8.004 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.488 7.450 -8.359 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.376 7.777 -6.870 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.046 6.881 -8.087 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.180 6.581 -4.949 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.521 5.323 -6.889 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.653 5.022 -3.750 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.824 4.385 -4.721 1.00 0.00 H new ATOM 931 N THR A 63 -2.718 8.899 -9.149 1.00 0.00 N ATOM 932 CA THR A 63 -4.030 8.887 -9.782 1.00 0.00 C ATOM 933 C THR A 63 -4.562 7.465 -9.920 1.00 0.00 C ATOM 934 O THR A 63 -4.108 6.702 -10.773 1.00 0.00 O ATOM 935 CB THR A 63 -3.988 9.544 -11.175 1.00 0.00 C ATOM 936 OG1 THR A 63 -3.523 10.894 -11.066 1.00 0.00 O ATOM 937 CG2 THR A 63 -5.364 9.527 -11.823 1.00 0.00 C ATOM 0 H THR A 63 -1.954 8.606 -9.758 1.00 0.00 H new ATOM 0 HA THR A 63 -4.696 9.460 -9.137 1.00 0.00 H new ATOM 0 HB THR A 63 -3.302 8.973 -11.801 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.498 11.304 -11.956 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.309 9.996 -12.805 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.702 8.497 -11.931 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.068 10.076 -11.197 1.00 0.00 H new ATOM 945 N LEU A 64 -5.526 7.115 -9.076 1.00 0.00 N ATOM 946 CA LEU A 64 -6.121 5.784 -9.104 1.00 0.00 C ATOM 947 C LEU A 64 -6.615 5.437 -10.505 1.00 0.00 C ATOM 948 O LEU A 64 -7.239 6.259 -11.175 1.00 0.00 O ATOM 949 CB LEU A 64 -7.279 5.700 -8.107 1.00 0.00 C ATOM 950 CG LEU A 64 -7.707 4.292 -7.692 1.00 0.00 C ATOM 951 CD1 LEU A 64 -6.529 3.528 -7.106 1.00 0.00 C ATOM 952 CD2 LEU A 64 -8.854 4.355 -6.694 1.00 0.00 C ATOM 0 H LEU A 64 -5.912 7.735 -8.364 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.353 5.064 -8.821 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.000 6.253 -7.210 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.141 6.208 -8.539 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.053 3.762 -8.579 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.852 2.528 -6.816 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.738 3.452 -7.852 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.152 4.056 -6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.145 3.344 -6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.535 4.903 -5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.704 4.863 -7.149 1.00 0.00 H new ATOM 964 N GLY A 65 -6.333 4.213 -10.940 1.00 0.00 N ATOM 965 CA GLY A 65 -6.757 3.778 -12.258 1.00 0.00 C ATOM 966 C GLY A 65 -5.609 3.713 -13.245 1.00 0.00 C ATOM 967 O GLY A 65 -5.644 2.934 -14.198 1.00 0.00 O ATOM 0 H GLY A 65 -5.818 3.515 -10.403 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.221 2.795 -12.181 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.518 4.461 -12.635 1.00 0.00 H new ATOM 971 N ASP A 66 -4.589 4.533 -13.018 1.00 0.00 N ATOM 972 CA ASP A 66 -3.424 4.566 -13.895 1.00 0.00 C ATOM 973 C ASP A 66 -2.342 3.612 -13.398 1.00 0.00 C ATOM 974 O ASP A 66 -1.396 3.300 -14.122 1.00 0.00 O ATOM 975 CB ASP A 66 -2.867 5.987 -13.985 1.00 0.00 C ATOM 976 CG ASP A 66 -2.115 6.233 -15.278 1.00 0.00 C ATOM 977 OD1 ASP A 66 -1.236 5.414 -15.618 1.00 0.00 O ATOM 978 OD2 ASP A 66 -2.405 7.246 -15.950 1.00 0.00 O ATOM 0 H ASP A 66 -4.545 5.184 -12.234 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.738 4.244 -14.888 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.686 6.701 -13.903 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.201 6.167 -13.141 1.00 0.00 H new ATOM 983 N CYS A 67 -2.489 3.153 -12.160 1.00 0.00 N ATOM 984 CA CYS A 67 -1.523 2.236 -11.565 1.00 0.00 C ATOM 985 C CYS A 67 -0.116 2.825 -11.609 1.00 0.00 C ATOM 986 O CYS A 67 0.836 2.154 -12.008 1.00 0.00 O ATOM 987 CB CYS A 67 -1.549 0.892 -12.293 1.00 0.00 C ATOM 988 SG CYS A 67 -3.174 0.100 -12.322 1.00 0.00 S ATOM 0 H CYS A 67 -3.267 3.401 -11.549 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.800 2.081 -10.522 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.210 1.040 -13.318 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.837 0.219 -11.816 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.095 -1.029 -12.961 1.00 0.00 H new ATOM 994 N ASP A 68 0.007 4.082 -11.198 1.00 0.00 N ATOM 995 CA ASP A 68 1.297 4.761 -11.191 1.00 0.00 C ATOM 996 C ASP A 68 2.155 4.286 -10.022 1.00 0.00 C ATOM 997 O ASP A 68 3.375 4.451 -10.026 1.00 0.00 O ATOM 998 CB ASP A 68 1.099 6.276 -11.111 1.00 0.00 C ATOM 999 CG ASP A 68 0.971 6.915 -12.480 1.00 0.00 C ATOM 1000 OD1 ASP A 68 0.512 6.228 -13.415 1.00 0.00 O ATOM 1001 OD2 ASP A 68 1.332 8.103 -12.616 1.00 0.00 O ATOM 0 H ASP A 68 -0.771 4.651 -10.865 1.00 0.00 H new ATOM 0 HA ASP A 68 1.813 4.518 -12.120 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.205 6.492 -10.527 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.941 6.722 -10.582 1.00 0.00 H new ATOM 1006 N VAL A 69 1.509 3.696 -9.022 1.00 0.00 N ATOM 1007 CA VAL A 69 2.212 3.196 -7.846 1.00 0.00 C ATOM 1008 C VAL A 69 2.303 1.675 -7.865 1.00 0.00 C ATOM 1009 O VAL A 69 1.866 1.029 -8.818 1.00 0.00 O ATOM 1010 CB VAL A 69 1.518 3.642 -6.545 1.00 0.00 C ATOM 1011 CG1 VAL A 69 1.679 5.140 -6.340 1.00 0.00 C ATOM 1012 CG2 VAL A 69 0.047 3.254 -6.567 1.00 0.00 C ATOM 0 H VAL A 69 0.499 3.552 -9.002 1.00 0.00 H new ATOM 0 HA VAL A 69 3.217 3.617 -7.876 1.00 0.00 H new ATOM 0 HB VAL A 69 1.993 3.132 -5.707 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.182 5.436 -5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.739 5.387 -6.277 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.231 5.672 -7.179 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.428 3.576 -5.641 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.444 3.735 -7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.042 2.172 -6.663 1.00 0.00 H new ATOM 1022 N ILE A 70 2.873 1.108 -6.807 1.00 0.00 N ATOM 1023 CA ILE A 70 3.019 -0.338 -6.702 1.00 0.00 C ATOM 1024 C ILE A 70 1.710 -1.049 -7.028 1.00 0.00 C ATOM 1025 O ILE A 70 0.628 -0.532 -6.753 1.00 0.00 O ATOM 1026 CB ILE A 70 3.480 -0.756 -5.293 1.00 0.00 C ATOM 1027 CG1 ILE A 70 4.541 0.214 -4.771 1.00 0.00 C ATOM 1028 CG2 ILE A 70 4.019 -2.179 -5.312 1.00 0.00 C ATOM 1029 CD1 ILE A 70 5.612 0.543 -5.787 1.00 0.00 C ATOM 0 H ILE A 70 3.241 1.628 -6.011 1.00 0.00 H new ATOM 0 HA ILE A 70 3.779 -0.631 -7.427 1.00 0.00 H new ATOM 0 HB ILE A 70 2.622 -0.722 -4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.054 1.137 -4.457 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.011 -0.216 -3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.341 -2.460 -4.309 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.236 -2.860 -5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.867 -2.238 -5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.330 1.236 -5.348 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.125 -0.372 -6.084 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.154 1.002 -6.663 1.00 0.00 H new ATOM 1041 N GLN A 71 1.818 -2.237 -7.614 1.00 0.00 N ATOM 1042 CA GLN A 71 0.642 -3.019 -7.977 1.00 0.00 C ATOM 1043 C GLN A 71 -0.068 -3.543 -6.733 1.00 0.00 C ATOM 1044 O GLN A 71 -1.194 -4.033 -6.809 1.00 0.00 O ATOM 1045 CB GLN A 71 1.039 -4.186 -8.882 1.00 0.00 C ATOM 1046 CG GLN A 71 1.005 -3.847 -10.363 1.00 0.00 C ATOM 1047 CD GLN A 71 1.180 -5.067 -11.246 1.00 0.00 C ATOM 1048 OE1 GLN A 71 2.302 -5.477 -11.542 1.00 0.00 O ATOM 1049 NE2 GLN A 71 0.067 -5.654 -11.671 1.00 0.00 N ATOM 0 H GLN A 71 2.707 -2.679 -7.847 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.044 -2.367 -8.517 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.044 -4.515 -8.616 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.368 -5.025 -8.694 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.056 -3.365 -10.600 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.792 -3.127 -10.585 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.842 -5.279 -11.401 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.122 -6.479 -12.268 1.00 0.00 H new ATOM 1058 N ALA A 72 0.598 -3.435 -5.588 1.00 0.00 N ATOM 1059 CA ALA A 72 0.031 -3.897 -4.327 1.00 0.00 C ATOM 1060 C ALA A 72 -0.647 -2.754 -3.579 1.00 0.00 C ATOM 1061 O ALA A 72 -1.370 -2.976 -2.607 1.00 0.00 O ATOM 1062 CB ALA A 72 1.110 -4.530 -3.462 1.00 0.00 C ATOM 0 H ALA A 72 1.531 -3.031 -5.508 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.725 -4.649 -4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.671 -4.870 -2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.546 -5.380 -3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.887 -3.795 -3.254 1.00 0.00 H new ATOM 1068 N LEU A 73 -0.408 -1.530 -4.037 1.00 0.00 N ATOM 1069 CA LEU A 73 -0.995 -0.350 -3.410 1.00 0.00 C ATOM 1070 C LEU A 73 -2.219 0.126 -4.186 1.00 0.00 C ATOM 1071 O LEU A 73 -3.245 0.467 -3.597 1.00 0.00 O ATOM 1072 CB LEU A 73 0.039 0.774 -3.325 1.00 0.00 C ATOM 1073 CG LEU A 73 -0.519 2.186 -3.146 1.00 0.00 C ATOM 1074 CD1 LEU A 73 -1.276 2.299 -1.832 1.00 0.00 C ATOM 1075 CD2 LEU A 73 0.602 3.214 -3.208 1.00 0.00 C ATOM 0 H LEU A 73 0.188 -1.328 -4.840 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.310 -0.622 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.710 0.562 -2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.642 0.755 -4.233 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.215 2.387 -3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.666 3.311 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.103 1.589 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.603 2.078 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.187 4.213 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.322 3.015 -2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.101 3.151 -4.175 1.00 0.00 H new ATOM 1087 N ASP A 74 -2.104 0.146 -5.509 1.00 0.00 N ATOM 1088 CA ASP A 74 -3.202 0.577 -6.366 1.00 0.00 C ATOM 1089 C ASP A 74 -4.301 -0.480 -6.415 1.00 0.00 C ATOM 1090 O ASP A 74 -5.473 -0.163 -6.621 1.00 0.00 O ATOM 1091 CB ASP A 74 -2.692 0.866 -7.779 1.00 0.00 C ATOM 1092 CG ASP A 74 -3.515 1.924 -8.486 1.00 0.00 C ATOM 1093 OD1 ASP A 74 -4.540 1.565 -9.102 1.00 0.00 O ATOM 1094 OD2 ASP A 74 -3.133 3.112 -8.426 1.00 0.00 O ATOM 0 H ASP A 74 -1.261 -0.131 -6.012 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.621 1.491 -5.945 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.653 1.192 -7.728 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.709 -0.054 -8.363 1.00 0.00 H new ATOM 1099 N LEU A 75 -3.914 -1.737 -6.225 1.00 0.00 N ATOM 1100 CA LEU A 75 -4.867 -2.841 -6.248 1.00 0.00 C ATOM 1101 C LEU A 75 -5.527 -3.020 -4.885 1.00 0.00 C ATOM 1102 O LEU A 75 -6.459 -3.810 -4.734 1.00 0.00 O ATOM 1103 CB LEU A 75 -4.165 -4.137 -6.661 1.00 0.00 C ATOM 1104 CG LEU A 75 -3.784 -4.252 -8.137 1.00 0.00 C ATOM 1105 CD1 LEU A 75 -3.085 -2.986 -8.609 1.00 0.00 C ATOM 1106 CD2 LEU A 75 -2.899 -5.469 -8.366 1.00 0.00 C ATOM 0 H LEU A 75 -2.948 -2.017 -6.054 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.642 -2.605 -6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.260 -4.243 -6.063 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.814 -4.975 -6.407 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.697 -4.376 -8.719 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.822 -3.087 -9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.752 -2.133 -8.482 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.180 -2.830 -8.022 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.638 -5.535 -9.422 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.990 -5.375 -7.772 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.435 -6.370 -8.068 1.00 0.00 H new ATOM 1118 N SER A 76 -5.039 -2.279 -3.895 1.00 0.00 N ATOM 1119 CA SER A 76 -5.581 -2.356 -2.543 1.00 0.00 C ATOM 1120 C SER A 76 -6.308 -1.067 -2.175 1.00 0.00 C ATOM 1121 O SER A 76 -7.265 -1.079 -1.401 1.00 0.00 O ATOM 1122 CB SER A 76 -4.461 -2.628 -1.537 1.00 0.00 C ATOM 1123 OG SER A 76 -3.712 -1.454 -1.277 1.00 0.00 O ATOM 0 H SER A 76 -4.269 -1.619 -4.004 1.00 0.00 H new ATOM 0 HA SER A 76 -6.296 -3.178 -2.511 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.887 -3.005 -0.607 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.802 -3.405 -1.923 1.00 0.00 H new ATOM 0 HG SER A 76 -3.593 -0.951 -2.110 1.00 0.00 H new ATOM 1129 N VAL A 77 -5.847 0.047 -2.736 1.00 0.00 N ATOM 1130 CA VAL A 77 -6.453 1.345 -2.469 1.00 0.00 C ATOM 1131 C VAL A 77 -7.971 1.281 -2.600 1.00 0.00 C ATOM 1132 O VAL A 77 -8.714 1.675 -1.701 1.00 0.00 O ATOM 1133 CB VAL A 77 -5.911 2.425 -3.424 1.00 0.00 C ATOM 1134 CG1 VAL A 77 -6.910 3.564 -3.565 1.00 0.00 C ATOM 1135 CG2 VAL A 77 -4.566 2.942 -2.936 1.00 0.00 C ATOM 0 H VAL A 77 -5.055 0.076 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.191 1.612 -1.445 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.767 1.976 -4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.510 4.317 -4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.848 3.178 -3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.089 4.014 -2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.198 3.704 -3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.681 3.374 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.853 2.118 -2.893 1.00 0.00 H new ATOM 1145 N PRO A 78 -8.444 0.773 -3.748 1.00 0.00 N ATOM 1146 CA PRO A 78 -9.878 0.644 -4.024 1.00 0.00 C ATOM 1147 C PRO A 78 -10.540 -0.426 -3.163 1.00 0.00 C ATOM 1148 O PRO A 78 -11.718 -0.741 -3.342 1.00 0.00 O ATOM 1149 CB PRO A 78 -9.919 0.242 -5.501 1.00 0.00 C ATOM 1150 CG PRO A 78 -8.607 -0.416 -5.752 1.00 0.00 C ATOM 1151 CD PRO A 78 -7.616 0.284 -4.863 1.00 0.00 C ATOM 0 HA PRO A 78 -10.420 1.563 -3.802 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.747 -0.437 -5.703 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -10.055 1.111 -6.144 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.654 -1.480 -5.522 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.321 -0.329 -6.800 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.837 -0.395 -4.517 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.118 1.102 -5.383 1.00 0.00 H new ATOM 1159 N LEU A 79 -9.778 -0.981 -2.227 1.00 0.00 N ATOM 1160 CA LEU A 79 -10.292 -2.016 -1.336 1.00 0.00 C ATOM 1161 C LEU A 79 -10.303 -1.533 0.110 1.00 0.00 C ATOM 1162 O LEU A 79 -10.939 -2.138 0.972 1.00 0.00 O ATOM 1163 CB LEU A 79 -9.446 -3.285 -1.455 1.00 0.00 C ATOM 1164 CG LEU A 79 -9.203 -3.799 -2.875 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -8.583 -5.187 -2.841 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -10.502 -3.812 -3.667 1.00 0.00 C ATOM 0 H LEU A 79 -8.802 -0.732 -2.065 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.317 -2.240 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.479 -3.098 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.930 -4.076 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.505 -3.124 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.417 -5.537 -3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.631 -5.147 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.256 -5.873 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.310 -4.180 -4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.223 -4.464 -3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.905 -2.801 -3.721 1.00 0.00 H new ATOM 1178 N MET A 80 -9.597 -0.437 0.368 1.00 0.00 N ATOM 1179 CA MET A 80 -9.529 0.130 1.710 1.00 0.00 C ATOM 1180 C MET A 80 -10.412 1.369 1.823 1.00 0.00 C ATOM 1181 O MET A 80 -10.664 2.055 0.832 1.00 0.00 O ATOM 1182 CB MET A 80 -8.084 0.485 2.064 1.00 0.00 C ATOM 1183 CG MET A 80 -7.309 1.101 0.910 1.00 0.00 C ATOM 1184 SD MET A 80 -5.883 2.056 1.462 1.00 0.00 S ATOM 1185 CE MET A 80 -5.707 1.461 3.143 1.00 0.00 C ATOM 0 H MET A 80 -9.064 0.076 -0.334 1.00 0.00 H new ATOM 0 HA MET A 80 -9.894 -0.619 2.413 1.00 0.00 H new ATOM 0 HB2 MET A 80 -8.085 1.181 2.903 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.568 -0.416 2.397 1.00 0.00 H new ATOM 0 HG2 MET A 80 -6.974 0.310 0.239 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.973 1.746 0.335 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.709 1.700 3.511 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.452 1.940 3.778 1.00 0.00 H new ATOM 0 HE3 MET A 80 -5.853 0.381 3.164 1.00 0.00 H new ATOM 1195 N ASP A 81 -10.878 1.650 3.034 1.00 0.00 N ATOM 1196 CA ASP A 81 -11.733 2.807 3.276 1.00 0.00 C ATOM 1197 C ASP A 81 -10.903 4.018 3.689 1.00 0.00 C ATOM 1198 O ASP A 81 -9.787 3.878 4.191 1.00 0.00 O ATOM 1199 CB ASP A 81 -12.765 2.488 4.358 1.00 0.00 C ATOM 1200 CG ASP A 81 -13.217 1.041 4.319 1.00 0.00 C ATOM 1201 OD1 ASP A 81 -13.233 0.454 3.217 1.00 0.00 O ATOM 1202 OD2 ASP A 81 -13.552 0.496 5.391 1.00 0.00 O ATOM 0 H ASP A 81 -10.678 1.092 3.865 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.253 3.044 2.348 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.339 2.706 5.337 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.630 3.139 4.234 1.00 0.00 H new ATOM 1207 N VAL A 82 -11.453 5.208 3.472 1.00 0.00 N ATOM 1208 CA VAL A 82 -10.764 6.445 3.821 1.00 0.00 C ATOM 1209 C VAL A 82 -10.696 6.628 5.333 1.00 0.00 C ATOM 1210 O VAL A 82 -11.695 6.949 5.976 1.00 0.00 O ATOM 1211 CB VAL A 82 -11.459 7.670 3.197 1.00 0.00 C ATOM 1212 CG1 VAL A 82 -12.971 7.512 3.253 1.00 0.00 C ATOM 1213 CG2 VAL A 82 -11.021 8.946 3.901 1.00 0.00 C ATOM 0 H VAL A 82 -12.375 5.342 3.056 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.753 6.368 3.421 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.164 7.740 2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.445 8.387 2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.264 6.620 2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.289 7.416 4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.521 9.802 3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.286 8.888 4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.942 9.063 3.803 1.00 0.00 H new ATOM 1223 N GLY A 83 -9.510 6.421 5.896 1.00 0.00 N ATOM 1224 CA GLY A 83 -9.333 6.568 7.329 1.00 0.00 C ATOM 1225 C GLY A 83 -8.895 5.279 7.995 1.00 0.00 C ATOM 1226 O GLY A 83 -8.497 5.279 9.159 1.00 0.00 O ATOM 0 H GLY A 83 -8.668 6.154 5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.592 7.343 7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.269 6.904 7.775 1.00 0.00 H new ATOM 1230 N GLU A 84 -8.971 4.177 7.255 1.00 0.00 N ATOM 1231 CA GLU A 84 -8.582 2.875 7.783 1.00 0.00 C ATOM 1232 C GLU A 84 -7.197 2.476 7.281 1.00 0.00 C ATOM 1233 O GLU A 84 -6.854 2.706 6.121 1.00 0.00 O ATOM 1234 CB GLU A 84 -9.607 1.811 7.384 1.00 0.00 C ATOM 1235 CG GLU A 84 -9.008 0.425 7.208 1.00 0.00 C ATOM 1236 CD GLU A 84 -8.592 0.146 5.777 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -8.283 1.114 5.051 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -8.575 -1.039 5.384 1.00 0.00 O ATOM 0 H GLU A 84 -9.298 4.160 6.289 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.549 2.948 8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.387 1.767 8.144 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.086 2.112 6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.141 0.323 7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.735 -0.323 7.523 1.00 0.00 H new ATOM 1245 N THR A 85 -6.404 1.878 8.164 1.00 0.00 N ATOM 1246 CA THR A 85 -5.056 1.449 7.813 1.00 0.00 C ATOM 1247 C THR A 85 -5.024 -0.036 7.467 1.00 0.00 C ATOM 1248 O THR A 85 -5.384 -0.881 8.285 1.00 0.00 O ATOM 1249 CB THR A 85 -4.064 1.718 8.960 1.00 0.00 C ATOM 1250 OG1 THR A 85 -4.021 3.119 9.252 1.00 0.00 O ATOM 1251 CG2 THR A 85 -2.670 1.228 8.597 1.00 0.00 C ATOM 0 H THR A 85 -6.672 1.680 9.128 1.00 0.00 H new ATOM 0 HA THR A 85 -4.757 2.030 6.940 1.00 0.00 H new ATOM 0 HB THR A 85 -4.405 1.174 9.841 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.389 3.281 9.983 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.987 1.429 9.423 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.700 0.156 8.404 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.323 1.748 7.704 1.00 0.00 H new ATOM 1259 N ALA A 86 -4.590 -0.345 6.249 1.00 0.00 N ATOM 1260 CA ALA A 86 -4.509 -1.728 5.796 1.00 0.00 C ATOM 1261 C ALA A 86 -3.109 -2.059 5.290 1.00 0.00 C ATOM 1262 O ALA A 86 -2.460 -1.233 4.648 1.00 0.00 O ATOM 1263 CB ALA A 86 -5.541 -1.989 4.709 1.00 0.00 C ATOM 0 H ALA A 86 -4.289 0.343 5.559 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.722 -2.376 6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.469 -3.026 4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.540 -1.802 5.103 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.355 -1.327 3.864 1.00 0.00 H new ATOM 1269 N MET A 87 -2.649 -3.271 5.583 1.00 0.00 N ATOM 1270 CA MET A 87 -1.326 -3.710 5.157 1.00 0.00 C ATOM 1271 C MET A 87 -1.423 -4.636 3.949 1.00 0.00 C ATOM 1272 O MET A 87 -2.425 -5.327 3.763 1.00 0.00 O ATOM 1273 CB MET A 87 -0.607 -4.422 6.304 1.00 0.00 C ATOM 1274 CG MET A 87 0.700 -5.079 5.888 1.00 0.00 C ATOM 1275 SD MET A 87 1.788 -5.409 7.287 1.00 0.00 S ATOM 1276 CE MET A 87 2.606 -3.825 7.461 1.00 0.00 C ATOM 0 H MET A 87 -3.173 -3.966 6.114 1.00 0.00 H new ATOM 0 HA MET A 87 -0.753 -2.828 4.871 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.406 -3.703 7.098 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.269 -5.181 6.721 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.484 -6.015 5.372 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.216 -4.435 5.176 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.313 -3.870 8.289 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.140 -3.588 6.541 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.864 -3.052 7.659 1.00 0.00 H new ATOM 1286 N VAL A 88 -0.376 -4.646 3.130 1.00 0.00 N ATOM 1287 CA VAL A 88 -0.344 -5.489 1.941 1.00 0.00 C ATOM 1288 C VAL A 88 1.000 -6.196 1.804 1.00 0.00 C ATOM 1289 O VAL A 88 2.054 -5.559 1.820 1.00 0.00 O ATOM 1290 CB VAL A 88 -0.613 -4.669 0.665 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -1.916 -3.896 0.791 1.00 0.00 C ATOM 1292 CG2 VAL A 88 0.549 -3.729 0.381 1.00 0.00 C ATOM 0 H VAL A 88 0.461 -4.080 3.268 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.132 -6.233 2.059 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.707 -5.357 -0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.089 -3.323 -0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.740 -4.594 0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.855 -3.216 1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.342 -3.158 -0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.678 -3.046 1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.461 -4.309 0.243 1.00 0.00 H new ATOM 1302 N THR A 89 0.956 -7.518 1.668 1.00 0.00 N ATOM 1303 CA THR A 89 2.170 -8.312 1.529 1.00 0.00 C ATOM 1304 C THR A 89 2.108 -9.199 0.291 1.00 0.00 C ATOM 1305 O THR A 89 1.470 -10.252 0.302 1.00 0.00 O ATOM 1306 CB THR A 89 2.409 -9.195 2.768 1.00 0.00 C ATOM 1307 OG1 THR A 89 1.255 -10.004 3.023 1.00 0.00 O ATOM 1308 CG2 THR A 89 2.715 -8.342 3.990 1.00 0.00 C ATOM 0 H THR A 89 0.093 -8.061 1.651 1.00 0.00 H new ATOM 0 HA THR A 89 2.997 -7.609 1.428 1.00 0.00 H new ATOM 0 HB THR A 89 3.267 -9.837 2.568 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.893 -10.334 2.174 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.880 -8.988 4.852 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.610 -7.748 3.804 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.874 -7.678 4.190 1.00 0.00 H new ATOM 1316 N ALA A 90 2.775 -8.768 -0.774 1.00 0.00 N ATOM 1317 CA ALA A 90 2.797 -9.526 -2.020 1.00 0.00 C ATOM 1318 C ALA A 90 4.227 -9.834 -2.449 1.00 0.00 C ATOM 1319 O ALA A 90 5.185 -9.350 -1.846 1.00 0.00 O ATOM 1320 CB ALA A 90 2.068 -8.762 -3.115 1.00 0.00 C ATOM 0 H ALA A 90 3.307 -7.898 -0.800 1.00 0.00 H new ATOM 0 HA ALA A 90 2.284 -10.473 -1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.092 -9.339 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.033 -8.598 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.556 -7.801 -3.275 1.00 0.00 H new ATOM 1326 N ASP A 91 4.365 -10.643 -3.494 1.00 0.00 N ATOM 1327 CA ASP A 91 5.679 -11.016 -4.004 1.00 0.00 C ATOM 1328 C ASP A 91 6.296 -9.873 -4.804 1.00 0.00 C ATOM 1329 O ASP A 91 5.598 -9.159 -5.524 1.00 0.00 O ATOM 1330 CB ASP A 91 5.574 -12.268 -4.877 1.00 0.00 C ATOM 1331 CG ASP A 91 6.854 -12.551 -5.639 1.00 0.00 C ATOM 1332 OD1 ASP A 91 7.771 -13.161 -5.051 1.00 0.00 O ATOM 1333 OD2 ASP A 91 6.938 -12.163 -6.823 1.00 0.00 O ATOM 0 H ASP A 91 3.583 -11.053 -4.004 1.00 0.00 H new ATOM 0 HA ASP A 91 6.325 -11.229 -3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.331 -13.126 -4.250 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.753 -12.147 -5.584 1.00 0.00 H new ATOM 1338 N SER A 92 7.607 -9.705 -4.671 1.00 0.00 N ATOM 1339 CA SER A 92 8.318 -8.645 -5.378 1.00 0.00 C ATOM 1340 C SER A 92 7.689 -8.388 -6.744 1.00 0.00 C ATOM 1341 O SER A 92 7.642 -7.251 -7.214 1.00 0.00 O ATOM 1342 CB SER A 92 9.793 -9.014 -5.543 1.00 0.00 C ATOM 1343 OG SER A 92 10.440 -8.134 -6.446 1.00 0.00 O ATOM 0 H SER A 92 8.199 -10.289 -4.080 1.00 0.00 H new ATOM 0 HA SER A 92 8.244 -7.733 -4.786 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.291 -8.977 -4.574 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.877 -10.039 -5.906 1.00 0.00 H new ATOM 0 HG SER A 92 10.383 -8.497 -7.354 1.00 0.00 H new ATOM 1349 N LYS A 93 7.208 -9.452 -7.377 1.00 0.00 N ATOM 1350 CA LYS A 93 6.581 -9.344 -8.689 1.00 0.00 C ATOM 1351 C LYS A 93 5.599 -8.177 -8.728 1.00 0.00 C ATOM 1352 O LYS A 93 5.655 -7.336 -9.625 1.00 0.00 O ATOM 1353 CB LYS A 93 5.857 -10.646 -9.040 1.00 0.00 C ATOM 1354 CG LYS A 93 4.712 -10.977 -8.099 1.00 0.00 C ATOM 1355 CD LYS A 93 4.319 -12.442 -8.193 1.00 0.00 C ATOM 1356 CE LYS A 93 3.686 -12.764 -9.538 1.00 0.00 C ATOM 1357 NZ LYS A 93 4.701 -13.185 -10.543 1.00 0.00 N ATOM 0 H LYS A 93 7.240 -10.400 -7.002 1.00 0.00 H new ATOM 0 HA LYS A 93 7.364 -9.162 -9.425 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.472 -10.575 -10.057 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.575 -11.466 -9.028 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.002 -10.742 -7.075 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.851 -10.352 -8.338 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.200 -13.066 -8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.619 -12.684 -7.393 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.949 -13.557 -9.412 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.152 -11.888 -9.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.624 -12.583 -11.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.653 -13.090 -10.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.536 -14.177 -10.809 1.00 0.00 H new ATOM 1371 N TYR A 94 4.702 -8.132 -7.750 1.00 0.00 N ATOM 1372 CA TYR A 94 3.707 -7.069 -7.673 1.00 0.00 C ATOM 1373 C TYR A 94 4.319 -5.790 -7.110 1.00 0.00 C ATOM 1374 O TYR A 94 3.810 -4.692 -7.338 1.00 0.00 O ATOM 1375 CB TYR A 94 2.526 -7.508 -6.806 1.00 0.00 C ATOM 1376 CG TYR A 94 1.812 -8.733 -7.331 1.00 0.00 C ATOM 1377 CD1 TYR A 94 0.921 -8.640 -8.392 1.00 0.00 C ATOM 1378 CD2 TYR A 94 2.029 -9.983 -6.764 1.00 0.00 C ATOM 1379 CE1 TYR A 94 0.266 -9.757 -8.875 1.00 0.00 C ATOM 1380 CE2 TYR A 94 1.379 -11.105 -7.241 1.00 0.00 C ATOM 1381 CZ TYR A 94 0.499 -10.987 -8.296 1.00 0.00 C ATOM 1382 OH TYR A 94 -0.152 -12.102 -8.773 1.00 0.00 O ATOM 0 H TYR A 94 4.643 -8.820 -6.999 1.00 0.00 H new ATOM 0 HA TYR A 94 3.351 -6.866 -8.683 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.883 -7.711 -5.796 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.814 -6.686 -6.733 1.00 0.00 H new ATOM 0 HD1 TYR A 94 0.737 -7.678 -8.848 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.717 -10.079 -5.937 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.424 -9.667 -9.701 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.559 -12.070 -6.790 1.00 0.00 H new ATOM 0 HH TYR A 94 0.124 -12.888 -8.257 1.00 0.00 H new ATOM 1392 N CYS A 95 5.414 -5.941 -6.373 1.00 0.00 N ATOM 1393 CA CYS A 95 6.097 -4.799 -5.775 1.00 0.00 C ATOM 1394 C CYS A 95 6.812 -3.974 -6.841 1.00 0.00 C ATOM 1395 O CYS A 95 6.378 -2.875 -7.184 1.00 0.00 O ATOM 1396 CB CYS A 95 7.099 -5.272 -4.721 1.00 0.00 C ATOM 1397 SG CYS A 95 6.384 -6.339 -3.449 1.00 0.00 S ATOM 0 H CYS A 95 5.848 -6.843 -6.175 1.00 0.00 H new ATOM 0 HA CYS A 95 5.348 -4.169 -5.296 1.00 0.00 H new ATOM 0 HB2 CYS A 95 7.907 -5.809 -5.218 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.544 -4.400 -4.241 1.00 0.00 H new ATOM 0 HG CYS A 95 7.309 -6.689 -2.605 1.00 0.00 H new ATOM 1403 N TYR A 96 7.910 -4.513 -7.359 1.00 0.00 N ATOM 1404 CA TYR A 96 8.689 -3.825 -8.383 1.00 0.00 C ATOM 1405 C TYR A 96 8.873 -4.709 -9.612 1.00 0.00 C ATOM 1406 O TYR A 96 8.980 -4.217 -10.735 1.00 0.00 O ATOM 1407 CB TYR A 96 10.053 -3.415 -7.826 1.00 0.00 C ATOM 1408 CG TYR A 96 9.978 -2.326 -6.779 1.00 0.00 C ATOM 1409 CD1 TYR A 96 9.746 -1.004 -7.139 1.00 0.00 C ATOM 1410 CD2 TYR A 96 10.139 -2.619 -5.431 1.00 0.00 C ATOM 1411 CE1 TYR A 96 9.676 -0.006 -6.187 1.00 0.00 C ATOM 1412 CE2 TYR A 96 10.070 -1.628 -4.471 1.00 0.00 C ATOM 1413 CZ TYR A 96 9.839 -0.323 -4.854 1.00 0.00 C ATOM 1414 OH TYR A 96 9.771 0.668 -3.901 1.00 0.00 O ATOM 0 H TYR A 96 8.281 -5.423 -7.087 1.00 0.00 H new ATOM 0 HA TYR A 96 8.142 -2.930 -8.680 1.00 0.00 H new ATOM 0 HB2 TYR A 96 10.537 -4.290 -7.393 1.00 0.00 H new ATOM 0 HB3 TYR A 96 10.684 -3.075 -8.647 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.618 -0.753 -8.182 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.321 -3.639 -5.128 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.495 1.016 -6.484 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.196 -1.873 -3.427 1.00 0.00 H new ATOM 0 HH TYR A 96 9.169 1.377 -4.209 1.00 0.00 H new ATOM 1424 N GLY A 97 8.910 -6.020 -9.391 1.00 0.00 N ATOM 1425 CA GLY A 97 9.081 -6.953 -10.488 1.00 0.00 C ATOM 1426 C GLY A 97 10.230 -7.915 -10.258 1.00 0.00 C ATOM 1427 O GLY A 97 11.114 -7.673 -9.436 1.00 0.00 O ATOM 0 H GLY A 97 8.824 -6.452 -8.471 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.160 -7.519 -10.626 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.255 -6.397 -11.409 1.00 0.00 H new ATOM 1431 N PRO A 98 10.226 -9.035 -10.996 1.00 0.00 N ATOM 1432 CA PRO A 98 11.269 -10.059 -10.885 1.00 0.00 C ATOM 1433 C PRO A 98 12.609 -9.584 -11.436 1.00 0.00 C ATOM 1434 O PRO A 98 13.600 -10.314 -11.397 1.00 0.00 O ATOM 1435 CB PRO A 98 10.723 -11.214 -11.728 1.00 0.00 C ATOM 1436 CG PRO A 98 9.806 -10.567 -12.708 1.00 0.00 C ATOM 1437 CD PRO A 98 9.204 -9.388 -11.995 1.00 0.00 C ATOM 0 HA PRO A 98 11.468 -10.327 -9.847 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.527 -11.751 -12.232 1.00 0.00 H new ATOM 0 HB3 PRO A 98 10.194 -11.940 -11.110 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.348 -10.249 -13.599 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.032 -11.261 -13.036 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.008 -8.562 -12.679 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.255 -9.645 -11.525 1.00 0.00 H new ATOM 1445 N GLN A 99 12.632 -8.358 -11.948 1.00 0.00 N ATOM 1446 CA GLN A 99 13.852 -7.786 -12.507 1.00 0.00 C ATOM 1447 C GLN A 99 14.551 -6.893 -11.488 1.00 0.00 C ATOM 1448 O GLN A 99 15.776 -6.782 -11.482 1.00 0.00 O ATOM 1449 CB GLN A 99 13.532 -6.986 -13.770 1.00 0.00 C ATOM 1450 CG GLN A 99 12.580 -5.825 -13.531 1.00 0.00 C ATOM 1451 CD GLN A 99 11.912 -5.346 -14.804 1.00 0.00 C ATOM 1452 OE1 GLN A 99 12.512 -4.622 -15.599 1.00 0.00 O ATOM 1453 NE2 GLN A 99 10.662 -5.748 -15.005 1.00 0.00 N ATOM 0 H GLN A 99 11.820 -7.742 -11.988 1.00 0.00 H new ATOM 0 HA GLN A 99 14.523 -8.605 -12.765 1.00 0.00 H new ATOM 0 HB2 GLN A 99 14.461 -6.602 -14.192 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.097 -7.655 -14.513 1.00 0.00 H new ATOM 0 HG2 GLN A 99 11.815 -6.129 -12.816 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.128 -4.998 -13.080 1.00 0.00 H new ATOM 0 HE21 GLN A 99 10.203 -6.348 -14.320 1.00 0.00 H new ATOM 0 HE22 GLN A 99 10.161 -5.457 -15.845 1.00 0.00 H new ATOM 1462 N GLY A 100 13.763 -6.256 -10.626 1.00 0.00 N ATOM 1463 CA GLY A 100 14.325 -5.381 -9.615 1.00 0.00 C ATOM 1464 C GLY A 100 13.829 -3.954 -9.743 1.00 0.00 C ATOM 1465 O GLY A 100 13.018 -3.648 -10.616 1.00 0.00 O ATOM 0 H GLY A 100 12.746 -6.331 -10.611 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.071 -5.763 -8.626 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.412 -5.393 -9.692 1.00 0.00 H new ATOM 1529 N TYR A 105 17.309 0.783 -4.812 1.00 0.00 N ATOM 1530 CA TYR A 105 17.387 -0.505 -5.491 1.00 0.00 C ATOM 1531 C TYR A 105 16.793 -1.613 -4.626 1.00 0.00 C ATOM 1532 O TYR A 105 16.850 -1.554 -3.397 1.00 0.00 O ATOM 1533 CB TYR A 105 18.839 -0.836 -5.837 1.00 0.00 C ATOM 1534 CG TYR A 105 19.023 -2.219 -6.421 1.00 0.00 C ATOM 1535 CD1 TYR A 105 18.947 -3.349 -5.616 1.00 0.00 C ATOM 1536 CD2 TYR A 105 19.273 -2.395 -7.776 1.00 0.00 C ATOM 1537 CE1 TYR A 105 19.114 -4.615 -6.144 1.00 0.00 C ATOM 1538 CE2 TYR A 105 19.440 -3.657 -8.313 1.00 0.00 C ATOM 1539 CZ TYR A 105 19.360 -4.763 -7.493 1.00 0.00 C ATOM 1540 OH TYR A 105 19.528 -6.022 -8.024 1.00 0.00 O ATOM 0 HA TYR A 105 16.808 -0.437 -6.412 1.00 0.00 H new ATOM 0 HB2 TYR A 105 19.211 -0.098 -6.548 1.00 0.00 H new ATOM 0 HB3 TYR A 105 19.447 -0.747 -4.937 1.00 0.00 H new ATOM 0 HD1 TYR A 105 18.754 -3.236 -4.559 1.00 0.00 H new ATOM 0 HD2 TYR A 105 19.338 -1.531 -8.421 1.00 0.00 H new ATOM 0 HE1 TYR A 105 19.052 -5.483 -5.504 1.00 0.00 H new ATOM 0 HE2 TYR A 105 19.632 -3.777 -9.369 1.00 0.00 H new ATOM 0 HH TYR A 105 19.692 -5.951 -8.988 1.00 0.00 H new ATOM 1550 N ILE A 106 16.225 -2.623 -5.277 1.00 0.00 N ATOM 1551 CA ILE A 106 15.622 -3.745 -4.568 1.00 0.00 C ATOM 1552 C ILE A 106 15.862 -5.056 -5.310 1.00 0.00 C ATOM 1553 O ILE A 106 15.789 -5.125 -6.537 1.00 0.00 O ATOM 1554 CB ILE A 106 14.107 -3.544 -4.380 1.00 0.00 C ATOM 1555 CG1 ILE A 106 13.361 -3.883 -5.673 1.00 0.00 C ATOM 1556 CG2 ILE A 106 13.811 -2.115 -3.950 1.00 0.00 C ATOM 1557 CD1 ILE A 106 12.952 -5.335 -5.772 1.00 0.00 C ATOM 0 H ILE A 106 16.170 -2.687 -6.293 1.00 0.00 H new ATOM 0 HA ILE A 106 16.098 -3.792 -3.588 1.00 0.00 H new ATOM 0 HB ILE A 106 13.761 -4.217 -3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.471 -3.258 -5.744 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.994 -3.634 -6.524 1.00 0.00 H new ATOM 0 HG21 ILE A 106 12.736 -1.989 -3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 106 14.316 -1.907 -3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 106 14.168 -1.424 -4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.429 -5.502 -6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 106 13.840 -5.966 -5.733 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.293 -5.585 -4.941 1.00 0.00 H new ATOM 1569 N PRO A 107 16.153 -6.121 -4.550 1.00 0.00 N ATOM 1570 CA PRO A 107 16.407 -7.450 -5.113 1.00 0.00 C ATOM 1571 C PRO A 107 15.148 -8.085 -5.692 1.00 0.00 C ATOM 1572 O PRO A 107 14.038 -7.884 -5.197 1.00 0.00 O ATOM 1573 CB PRO A 107 16.908 -8.256 -3.912 1.00 0.00 C ATOM 1574 CG PRO A 107 16.322 -7.571 -2.726 1.00 0.00 C ATOM 1575 CD PRO A 107 16.257 -6.111 -3.081 1.00 0.00 C ATOM 0 HA PRO A 107 17.113 -7.412 -5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.584 -9.295 -3.969 1.00 0.00 H new ATOM 0 HB3 PRO A 107 17.997 -8.264 -3.867 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.330 -7.962 -2.500 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.937 -7.730 -1.840 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.398 -5.623 -2.621 1.00 0.00 H new ATOM 0 HD3 PRO A 107 17.145 -5.576 -2.745 1.00 0.00 H new ATOM 1583 N PRO A 108 15.319 -8.871 -6.765 1.00 0.00 N ATOM 1584 CA PRO A 108 14.207 -9.552 -7.434 1.00 0.00 C ATOM 1585 C PRO A 108 13.619 -10.674 -6.585 1.00 0.00 C ATOM 1586 O PRO A 108 14.302 -11.245 -5.734 1.00 0.00 O ATOM 1587 CB PRO A 108 14.849 -10.121 -8.701 1.00 0.00 C ATOM 1588 CG PRO A 108 16.291 -10.276 -8.359 1.00 0.00 C ATOM 1589 CD PRO A 108 16.613 -9.156 -7.409 1.00 0.00 C ATOM 0 HA PRO A 108 13.374 -8.876 -7.629 1.00 0.00 H new ATOM 0 HB2 PRO A 108 14.403 -11.077 -8.976 1.00 0.00 H new ATOM 0 HB3 PRO A 108 14.713 -9.450 -9.549 1.00 0.00 H new ATOM 0 HG2 PRO A 108 16.481 -11.245 -7.898 1.00 0.00 H new ATOM 0 HG3 PRO A 108 16.912 -10.221 -9.253 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.368 -9.452 -6.680 1.00 0.00 H new ATOM 0 HD3 PRO A 108 17.001 -8.283 -7.934 1.00 0.00 H new ATOM 1597 N HIS A 109 12.349 -10.986 -6.821 1.00 0.00 N ATOM 1598 CA HIS A 109 11.670 -12.041 -6.078 1.00 0.00 C ATOM 1599 C HIS A 109 11.873 -11.865 -4.576 1.00 0.00 C ATOM 1600 O HIS A 109 11.927 -12.841 -3.828 1.00 0.00 O ATOM 1601 CB HIS A 109 12.183 -13.414 -6.516 1.00 0.00 C ATOM 1602 CG HIS A 109 12.266 -13.575 -8.002 1.00 0.00 C ATOM 1603 ND1 HIS A 109 13.338 -13.665 -8.824 1.00 0.00 N flip ATOM 1604 CD2 HIS A 109 11.155 -13.662 -8.814 1.00 0.00 C flip ATOM 1605 CE1 HIS A 109 12.860 -13.803 -10.104 1.00 0.00 C flip ATOM 1606 NE2 HIS A 109 11.539 -13.799 -10.070 1.00 0.00 N flip ATOM 0 H HIS A 109 11.769 -10.523 -7.521 1.00 0.00 H new ATOM 0 HA HIS A 109 10.604 -11.974 -6.293 1.00 0.00 H new ATOM 0 HB2 HIS A 109 13.171 -13.578 -6.085 1.00 0.00 H new ATOM 0 HB3 HIS A 109 11.527 -14.184 -6.111 1.00 0.00 H new ATOM 0 HD1 HIS A 109 14.319 -13.636 -8.545 1.00 0.00 H new ATOM 0 HD2 HIS A 109 10.130 -13.624 -8.475 1.00 0.00 H new ATOM 0 HE1 HIS A 109 13.465 -13.899 -10.993 1.00 0.00 H new ATOM 1615 N ALA A 110 11.985 -10.614 -4.142 1.00 0.00 N ATOM 1616 CA ALA A 110 12.180 -10.310 -2.730 1.00 0.00 C ATOM 1617 C ALA A 110 10.940 -9.655 -2.132 1.00 0.00 C ATOM 1618 O ALA A 110 10.725 -8.453 -2.287 1.00 0.00 O ATOM 1619 CB ALA A 110 13.394 -9.411 -2.546 1.00 0.00 C ATOM 0 H ALA A 110 11.944 -9.795 -4.748 1.00 0.00 H new ATOM 0 HA ALA A 110 12.353 -11.249 -2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.527 -9.192 -1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 110 14.282 -9.916 -2.927 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.244 -8.480 -3.093 1.00 0.00 H new ATOM 1625 N ALA A 111 10.125 -10.453 -1.449 1.00 0.00 N ATOM 1626 CA ALA A 111 8.907 -9.950 -0.828 1.00 0.00 C ATOM 1627 C ALA A 111 9.174 -8.659 -0.062 1.00 0.00 C ATOM 1628 O ALA A 111 10.294 -8.411 0.387 1.00 0.00 O ATOM 1629 CB ALA A 111 8.313 -11.002 0.098 1.00 0.00 C ATOM 0 H ALA A 111 10.287 -11.451 -1.312 1.00 0.00 H new ATOM 0 HA ALA A 111 8.190 -9.731 -1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.403 -10.612 0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 111 8.076 -11.899 -0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 111 9.034 -11.249 0.878 1.00 0.00 H new ATOM 1635 N LEU A 112 8.139 -7.838 0.084 1.00 0.00 N ATOM 1636 CA LEU A 112 8.263 -6.571 0.796 1.00 0.00 C ATOM 1637 C LEU A 112 6.954 -6.207 1.491 1.00 0.00 C ATOM 1638 O LEU A 112 5.882 -6.271 0.890 1.00 0.00 O ATOM 1639 CB LEU A 112 8.665 -5.457 -0.172 1.00 0.00 C ATOM 1640 CG LEU A 112 10.000 -5.645 -0.893 1.00 0.00 C ATOM 1641 CD1 LEU A 112 10.001 -4.898 -2.218 1.00 0.00 C ATOM 1642 CD2 LEU A 112 11.152 -5.177 -0.015 1.00 0.00 C ATOM 0 H LEU A 112 7.206 -8.027 -0.281 1.00 0.00 H new ATOM 0 HA LEU A 112 9.038 -6.683 1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.881 -5.354 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.702 -4.518 0.381 1.00 0.00 H new ATOM 0 HG LEU A 112 10.133 -6.707 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.959 -5.043 -2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.200 -5.280 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.844 -3.835 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.094 -5.319 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.024 -4.121 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.164 -5.756 0.908 1.00 0.00 H new ATOM 1654 N CYS A 113 7.051 -5.825 2.760 1.00 0.00 N ATOM 1655 CA CYS A 113 5.876 -5.450 3.537 1.00 0.00 C ATOM 1656 C CYS A 113 5.529 -3.980 3.323 1.00 0.00 C ATOM 1657 O CYS A 113 6.287 -3.089 3.707 1.00 0.00 O ATOM 1658 CB CYS A 113 6.115 -5.718 5.024 1.00 0.00 C ATOM 1659 SG CYS A 113 6.094 -7.470 5.470 1.00 0.00 S ATOM 0 H CYS A 113 7.931 -5.767 3.272 1.00 0.00 H new ATOM 0 HA CYS A 113 5.037 -6.056 3.196 1.00 0.00 H new ATOM 0 HB2 CYS A 113 7.077 -5.293 5.309 1.00 0.00 H new ATOM 0 HB3 CYS A 113 5.353 -5.197 5.603 1.00 0.00 H new ATOM 0 HG CYS A 113 6.307 -7.595 6.746 1.00 0.00 H new ATOM 1665 N LEU A 114 4.378 -3.734 2.705 1.00 0.00 N ATOM 1666 CA LEU A 114 3.931 -2.371 2.438 1.00 0.00 C ATOM 1667 C LEU A 114 2.700 -2.029 3.271 1.00 0.00 C ATOM 1668 O LEU A 114 1.706 -2.754 3.254 1.00 0.00 O ATOM 1669 CB LEU A 114 3.617 -2.199 0.950 1.00 0.00 C ATOM 1670 CG LEU A 114 4.623 -2.815 -0.023 1.00 0.00 C ATOM 1671 CD1 LEU A 114 4.182 -2.588 -1.461 1.00 0.00 C ATOM 1672 CD2 LEU A 114 6.012 -2.238 0.209 1.00 0.00 C ATOM 0 H LEU A 114 3.739 -4.459 2.380 1.00 0.00 H new ATOM 0 HA LEU A 114 4.736 -1.690 2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.637 -2.635 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.541 -1.133 0.736 1.00 0.00 H new ATOM 0 HG LEU A 114 4.664 -3.889 0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.910 -3.033 -2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.208 -3.050 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.112 -1.518 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.715 -2.688 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.988 -1.159 0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.330 -2.453 1.229 1.00 0.00 H new ATOM 1684 N GLU A 115 2.774 -0.918 3.998 1.00 0.00 N ATOM 1685 CA GLU A 115 1.665 -0.479 4.837 1.00 0.00 C ATOM 1686 C GLU A 115 0.948 0.714 4.211 1.00 0.00 C ATOM 1687 O GLU A 115 1.465 1.832 4.210 1.00 0.00 O ATOM 1688 CB GLU A 115 2.168 -0.111 6.234 1.00 0.00 C ATOM 1689 CG GLU A 115 1.054 0.204 7.218 1.00 0.00 C ATOM 1690 CD GLU A 115 1.544 0.979 8.426 1.00 0.00 C ATOM 1691 OE1 GLU A 115 1.698 2.213 8.317 1.00 0.00 O ATOM 1692 OE2 GLU A 115 1.773 0.350 9.480 1.00 0.00 O ATOM 0 H GLU A 115 3.590 -0.306 4.023 1.00 0.00 H new ATOM 0 HA GLU A 115 0.957 -1.303 4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.765 -0.935 6.625 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.829 0.753 6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.279 0.780 6.712 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.594 -0.727 7.550 1.00 0.00 H new ATOM 1699 N VAL A 116 -0.245 0.468 3.679 1.00 0.00 N ATOM 1700 CA VAL A 116 -1.033 1.521 3.050 1.00 0.00 C ATOM 1701 C VAL A 116 -1.961 2.189 4.059 1.00 0.00 C ATOM 1702 O VAL A 116 -2.484 1.539 4.965 1.00 0.00 O ATOM 1703 CB VAL A 116 -1.873 0.972 1.882 1.00 0.00 C ATOM 1704 CG1 VAL A 116 -2.365 2.107 0.997 1.00 0.00 C ATOM 1705 CG2 VAL A 116 -1.068 -0.035 1.074 1.00 0.00 C ATOM 0 H VAL A 116 -0.687 -0.451 3.671 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.328 2.258 2.665 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.744 0.461 2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -2.957 1.699 0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.981 2.787 1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -1.511 2.650 0.593 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.677 -0.413 0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.178 0.449 0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -0.772 -0.864 1.717 1.00 0.00 H new ATOM 1715 N THR A 117 -2.163 3.493 3.896 1.00 0.00 N ATOM 1716 CA THR A 117 -3.027 4.251 4.792 1.00 0.00 C ATOM 1717 C THR A 117 -3.768 5.351 4.041 1.00 0.00 C ATOM 1718 O THR A 117 -3.184 6.377 3.688 1.00 0.00 O ATOM 1719 CB THR A 117 -2.225 4.882 5.946 1.00 0.00 C ATOM 1720 OG1 THR A 117 -1.486 3.870 6.639 1.00 0.00 O ATOM 1721 CG2 THR A 117 -3.149 5.599 6.918 1.00 0.00 C ATOM 0 H THR A 117 -1.739 4.046 3.151 1.00 0.00 H new ATOM 0 HA THR A 117 -3.750 3.547 5.205 1.00 0.00 H new ATOM 0 HB THR A 117 -1.533 5.611 5.523 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.978 4.279 7.370 1.00 0.00 H new ATOM 0 HG21 THR A 117 -2.560 6.037 7.724 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.688 6.388 6.393 1.00 0.00 H new ATOM 0 HG23 THR A 117 -3.862 4.887 7.334 1.00 0.00 H new ATOM 1729 N LEU A 118 -5.056 5.134 3.801 1.00 0.00 N ATOM 1730 CA LEU A 118 -5.877 6.109 3.092 1.00 0.00 C ATOM 1731 C LEU A 118 -6.129 7.340 3.956 1.00 0.00 C ATOM 1732 O LEU A 118 -6.834 7.272 4.963 1.00 0.00 O ATOM 1733 CB LEU A 118 -7.210 5.479 2.681 1.00 0.00 C ATOM 1734 CG LEU A 118 -7.858 6.046 1.417 1.00 0.00 C ATOM 1735 CD1 LEU A 118 -8.360 7.461 1.664 1.00 0.00 C ATOM 1736 CD2 LEU A 118 -6.875 6.022 0.256 1.00 0.00 C ATOM 0 H LEU A 118 -5.555 4.291 4.087 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.337 6.420 2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.055 4.410 2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.912 5.591 3.507 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.711 5.419 1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.818 7.849 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.098 7.450 2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.524 8.099 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.354 6.429 -0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -6.002 6.624 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.564 4.995 0.064 1.00 0.00 H new ATOM 1748 N LYS A 119 -5.550 8.466 3.555 1.00 0.00 N ATOM 1749 CA LYS A 119 -5.713 9.715 4.290 1.00 0.00 C ATOM 1750 C LYS A 119 -6.921 10.494 3.779 1.00 0.00 C ATOM 1751 O LYS A 119 -7.901 10.684 4.500 1.00 0.00 O ATOM 1752 CB LYS A 119 -4.451 10.572 4.167 1.00 0.00 C ATOM 1753 CG LYS A 119 -3.162 9.780 4.305 1.00 0.00 C ATOM 1754 CD LYS A 119 -2.638 9.813 5.731 1.00 0.00 C ATOM 1755 CE LYS A 119 -3.676 9.303 6.719 1.00 0.00 C ATOM 1756 NZ LYS A 119 -4.508 10.409 7.269 1.00 0.00 N ATOM 0 H LYS A 119 -4.963 8.540 2.724 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.878 9.471 5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.457 11.075 3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.474 11.349 4.931 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.335 8.747 4.003 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.409 10.188 3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.736 9.205 5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.356 10.833 5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.320 8.575 6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.175 8.784 7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.438 10.413 8.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.168 11.318 6.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.500 10.269 6.990 1.00 0.00 H new ATOM 1770 N THR A 120 -6.845 10.940 2.529 1.00 0.00 N ATOM 1771 CA THR A 120 -7.932 11.698 1.921 1.00 0.00 C ATOM 1772 C THR A 120 -7.963 11.499 0.410 1.00 0.00 C ATOM 1773 O THR A 120 -6.929 11.266 -0.216 1.00 0.00 O ATOM 1774 CB THR A 120 -7.808 13.202 2.227 1.00 0.00 C ATOM 1775 OG1 THR A 120 -6.457 13.633 2.028 1.00 0.00 O ATOM 1776 CG2 THR A 120 -8.236 13.501 3.656 1.00 0.00 C ATOM 0 H THR A 120 -6.042 10.789 1.918 1.00 0.00 H new ATOM 0 HA THR A 120 -8.859 11.322 2.353 1.00 0.00 H new ATOM 0 HB THR A 120 -8.465 13.744 1.547 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.387 14.591 2.223 1.00 0.00 H new ATOM 0 HG21 THR A 120 -8.140 14.570 3.849 1.00 0.00 H new ATOM 0 HG22 THR A 120 -9.274 13.199 3.796 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.601 12.949 4.349 1.00 0.00 H new ATOM 1784 N ALA A 121 -9.155 11.593 -0.170 1.00 0.00 N ATOM 1785 CA ALA A 121 -9.319 11.426 -1.609 1.00 0.00 C ATOM 1786 C ALA A 121 -10.041 12.621 -2.222 1.00 0.00 C ATOM 1787 O ALA A 121 -11.229 12.833 -1.978 1.00 0.00 O ATOM 1788 CB ALA A 121 -10.076 10.140 -1.908 1.00 0.00 C ATOM 0 H ALA A 121 -10.021 11.784 0.334 1.00 0.00 H new ATOM 0 HA ALA A 121 -8.328 11.364 -2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -10.191 10.028 -2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.520 9.290 -1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -11.060 10.180 -1.440 1.00 0.00 H new ATOM 1794 N VAL A 122 -9.315 13.401 -3.017 1.00 0.00 N ATOM 1795 CA VAL A 122 -9.886 14.575 -3.665 1.00 0.00 C ATOM 1796 C VAL A 122 -9.486 14.641 -5.135 1.00 0.00 C ATOM 1797 O VAL A 122 -8.655 13.860 -5.598 1.00 0.00 O ATOM 1798 CB VAL A 122 -9.443 15.873 -2.965 1.00 0.00 C ATOM 1799 CG1 VAL A 122 -9.937 15.900 -1.526 1.00 0.00 C ATOM 1800 CG2 VAL A 122 -7.930 16.019 -3.021 1.00 0.00 C ATOM 0 H VAL A 122 -8.330 13.241 -3.228 1.00 0.00 H new ATOM 0 HA VAL A 122 -10.969 14.482 -3.590 1.00 0.00 H new ATOM 0 HB VAL A 122 -9.886 16.718 -3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -9.614 16.825 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -11.026 15.846 -1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.526 15.048 -0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -7.635 16.942 -2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -7.464 15.170 -2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.606 16.050 -4.061 1.00 0.00 H new ATOM 1810 N ASP A 123 -10.083 15.579 -5.863 1.00 0.00 N ATOM 1811 CA ASP A 123 -9.788 15.749 -7.281 1.00 0.00 C ATOM 1812 C ASP A 123 -8.627 16.718 -7.482 1.00 0.00 C ATOM 1813 O ASP A 123 -7.787 16.522 -8.360 1.00 0.00 O ATOM 1814 CB ASP A 123 -11.025 16.253 -8.024 1.00 0.00 C ATOM 1815 CG ASP A 123 -10.893 16.117 -9.528 1.00 0.00 C ATOM 1816 OD1 ASP A 123 -10.371 17.055 -10.166 1.00 0.00 O ATOM 1817 OD2 ASP A 123 -11.311 15.071 -10.068 1.00 0.00 O ATOM 0 H ASP A 123 -10.774 16.233 -5.495 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.501 14.779 -7.686 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -11.899 15.696 -7.687 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -11.196 17.299 -7.770 1.00 0.00 H new ATOM 1822 N ARG A 124 -8.589 17.765 -6.664 1.00 0.00 N ATOM 1823 CA ARG A 124 -7.533 18.767 -6.754 1.00 0.00 C ATOM 1824 C ARG A 124 -6.204 18.201 -6.262 1.00 0.00 C ATOM 1825 O ARG A 124 -6.156 17.311 -5.413 1.00 0.00 O ATOM 1826 CB ARG A 124 -7.906 20.006 -5.938 1.00 0.00 C ATOM 1827 CG ARG A 124 -7.876 19.777 -4.435 1.00 0.00 C ATOM 1828 CD ARG A 124 -8.819 20.723 -3.709 1.00 0.00 C ATOM 1829 NE ARG A 124 -10.159 20.158 -3.568 1.00 0.00 N ATOM 1830 CZ ARG A 124 -11.183 20.819 -3.041 1.00 0.00 C ATOM 1831 NH1 ARG A 124 -11.022 22.062 -2.608 1.00 0.00 N ATOM 1832 NH2 ARG A 124 -12.372 20.238 -2.946 1.00 0.00 N ATOM 0 H ARG A 124 -9.277 17.942 -5.932 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.422 19.050 -7.801 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -7.220 20.815 -6.188 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -8.904 20.334 -6.227 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.154 18.746 -4.217 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -6.861 19.918 -4.064 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -8.416 20.950 -2.722 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -8.878 21.665 -4.254 1.00 0.00 H new ATOM 0 HE ARG A 124 -10.316 19.204 -3.892 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -10.110 22.513 -2.679 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -11.810 22.567 -2.204 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -12.501 19.282 -3.278 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -13.158 20.747 -2.541 1.00 0.00 H new