USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 636 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 84 MET CE :methyl -149:sc= -4.76! (180deg=-8.08!) USER MOD Set 1.2: A 88 ASN :FLIP amide:sc= -15.6! C(o=-21!,f=-20!) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 134:sc= -6.35! (180deg=-10.5!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0581 K(o=-0.058,f=-0.8) USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= -3.92! (180deg=-4.07!) USER MOD Single : A 53 THR OG1 : rot 80:sc= 0.79 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 103:sc= -0.192 USER MOD Single : A 73 ASN : amide:sc= 0.225 K(o=0.23,f=-0.96) USER MOD Single : A 74 GLN : amide:sc= -8.27! C(o=-8.3!,f=-13!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot -163:sc= 0.211 USER MOD Single : A 83 LYS NZ :NH3+ -108:sc= -0.721 (180deg=-4.31!) USER MOD Single : A 85 MET CE :methyl -115:sc= -4.06! (180deg=-7.18!) USER MOD Single : A 86 GLN : amide:sc= -11.5! C(o=-11!,f=-24!) USER MOD Single : A 90 THR OG1 : rot 105:sc= 0.716 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.013) USER MOD Single : A 102 MET CE :methyl -165:sc= -3.8! (180deg=-4.97!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN :FLIP amide:sc= -0.143 F(o=-0.82,f=-0.14) USER MOD Single : A 115 ASN :FLIP amide:sc= -3.06! C(o=-3.8!,f=-3.1!) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N CYS A 33 -12.009 1.590 4.866 1.00 0.00 N ATOM 136 CA CYS A 33 -11.092 2.714 4.947 1.00 0.00 C ATOM 137 C CYS A 33 -10.513 2.962 3.552 1.00 0.00 C ATOM 138 O CYS A 33 -10.047 4.062 3.256 1.00 0.00 O ATOM 139 CB CYS A 33 -9.995 2.476 5.986 1.00 0.00 C ATOM 140 SG CYS A 33 -10.743 2.179 7.629 1.00 0.00 S ATOM 0 HA CYS A 33 -11.629 3.602 5.280 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.386 1.620 5.694 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.331 3.339 6.030 1.00 0.00 H new ATOM 0 HG CYS A 33 -9.803 1.976 8.504 1.00 0.00 H new ATOM 145 N LEU A 34 -10.562 1.923 2.733 1.00 0.00 N ATOM 146 CA LEU A 34 -10.049 2.014 1.377 1.00 0.00 C ATOM 147 C LEU A 34 -10.889 3.017 0.583 1.00 0.00 C ATOM 148 O LEU A 34 -10.516 3.410 -0.521 1.00 0.00 O ATOM 149 CB LEU A 34 -9.981 0.627 0.734 1.00 0.00 C ATOM 150 CG LEU A 34 -9.396 -0.487 1.606 1.00 0.00 C ATOM 151 CD1 LEU A 34 -8.950 -1.674 0.750 1.00 0.00 C ATOM 152 CD2 LEU A 34 -8.263 0.043 2.486 1.00 0.00 C ATOM 0 H LEU A 34 -10.949 1.013 2.982 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.025 2.388 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.988 0.337 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.387 0.699 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.179 -0.846 2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.538 -2.452 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.806 -2.070 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.188 -1.347 0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.865 -0.769 3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.470 0.445 1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.645 0.831 3.136 1.00 0.00 H new ATOM 163 N GLU A 35 -12.009 3.403 1.178 1.00 0.00 N ATOM 164 CA GLU A 35 -12.905 4.354 0.542 1.00 0.00 C ATOM 165 C GLU A 35 -12.587 5.776 1.008 1.00 0.00 C ATOM 166 O GLU A 35 -13.438 6.662 0.932 1.00 0.00 O ATOM 167 CB GLU A 35 -14.367 3.999 0.820 1.00 0.00 C ATOM 168 CG GLU A 35 -14.628 2.513 0.566 1.00 0.00 C ATOM 169 CD GLU A 35 -16.014 2.296 -0.046 1.00 0.00 C ATOM 170 OE1 GLU A 35 -16.357 3.075 -0.962 1.00 0.00 O ATOM 171 OE2 GLU A 35 -16.697 1.357 0.415 1.00 0.00 O ATOM 0 H GLU A 35 -12.316 3.074 2.093 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.752 4.304 -0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.614 4.244 1.853 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.018 4.600 0.185 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.865 2.115 -0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.550 1.961 1.503 1.00 0.00 H new ATOM 176 N LYS A 36 -11.362 5.952 1.479 1.00 0.00 N ATOM 177 CA LYS A 36 -10.922 7.252 1.956 1.00 0.00 C ATOM 178 C LYS A 36 -10.261 8.016 0.807 1.00 0.00 C ATOM 179 O LYS A 36 -9.951 9.198 0.940 1.00 0.00 O ATOM 180 CB LYS A 36 -10.026 7.095 3.187 1.00 0.00 C ATOM 181 CG LYS A 36 -10.858 6.800 4.436 1.00 0.00 C ATOM 182 CD LYS A 36 -10.849 7.991 5.396 1.00 0.00 C ATOM 183 CE LYS A 36 -10.685 7.528 6.844 1.00 0.00 C ATOM 184 NZ LYS A 36 -11.105 8.594 7.780 1.00 0.00 N ATOM 0 H LYS A 36 -10.659 5.215 1.541 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.775 7.846 2.284 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.313 6.287 3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.447 8.006 3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.883 6.569 4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.462 5.919 4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.036 8.668 5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.778 8.552 5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.280 6.631 7.015 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.645 7.261 7.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.987 8.263 8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.520 9.440 7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.104 8.830 7.612 1.00 0.00 H new ATOM 194 N LYS A 37 -10.065 7.307 -0.296 1.00 0.00 N ATOM 195 CA LYS A 37 -9.446 7.904 -1.467 1.00 0.00 C ATOM 196 C LYS A 37 -8.100 8.514 -1.073 1.00 0.00 C ATOM 197 O LYS A 37 -7.768 8.584 0.110 1.00 0.00 O ATOM 198 CB LYS A 37 -10.401 8.897 -2.131 1.00 0.00 C ATOM 199 CG LYS A 37 -11.586 8.173 -2.775 1.00 0.00 C ATOM 200 CD LYS A 37 -12.882 8.464 -2.017 1.00 0.00 C ATOM 201 CE LYS A 37 -13.982 8.932 -2.973 1.00 0.00 C ATOM 202 NZ LYS A 37 -15.276 8.309 -2.619 1.00 0.00 N ATOM 0 H LYS A 37 -10.324 6.326 -0.403 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.242 7.142 -2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.765 9.608 -1.390 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.866 9.471 -2.888 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.689 8.488 -3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.399 7.099 -2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.209 7.567 -1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.702 9.229 -1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.071 10.018 -2.931 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.716 8.673 -3.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.011 8.637 -3.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.192 7.274 -2.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.536 8.577 -1.648 1.00 0.00 H new ATOM 212 N VAL A 38 -7.360 8.942 -2.085 1.00 0.00 N ATOM 213 CA VAL A 38 -6.057 9.544 -1.859 1.00 0.00 C ATOM 214 C VAL A 38 -5.746 10.519 -2.997 1.00 0.00 C ATOM 215 O VAL A 38 -6.653 10.993 -3.678 1.00 0.00 O ATOM 216 CB VAL A 38 -4.996 8.453 -1.700 1.00 0.00 C ATOM 217 CG1 VAL A 38 -5.420 7.426 -0.649 1.00 0.00 C ATOM 218 CG2 VAL A 38 -4.700 7.777 -3.041 1.00 0.00 C ATOM 0 H VAL A 38 -7.638 8.884 -3.065 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.057 10.116 -0.931 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.077 8.926 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.649 6.662 -0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.557 7.923 0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.357 6.960 -0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.943 7.006 -2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.612 7.324 -3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.334 8.520 -3.750 1.00 0.00 H new ATOM 228 N ASP A 39 -4.461 10.790 -3.166 1.00 0.00 N ATOM 229 CA ASP A 39 -4.018 11.700 -4.209 1.00 0.00 C ATOM 230 C ASP A 39 -2.490 11.750 -4.223 1.00 0.00 C ATOM 231 O ASP A 39 -1.883 12.492 -3.452 1.00 0.00 O ATOM 232 CB ASP A 39 -4.535 13.118 -3.958 1.00 0.00 C ATOM 233 CG ASP A 39 -4.821 13.934 -5.221 1.00 0.00 C ATOM 234 OD1 ASP A 39 -4.087 13.726 -6.209 1.00 0.00 O ATOM 235 OD2 ASP A 39 -5.768 14.749 -5.167 1.00 0.00 O ATOM 0 H ASP A 39 -3.711 10.395 -2.598 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.407 11.337 -5.160 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.450 13.056 -3.368 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.803 13.654 -3.355 1.00 0.00 H new ATOM 239 N MET A 40 -1.911 10.951 -5.107 1.00 0.00 N ATOM 240 CA MET A 40 -0.464 10.894 -5.230 1.00 0.00 C ATOM 241 C MET A 40 0.102 12.247 -5.666 1.00 0.00 C ATOM 242 O MET A 40 1.261 12.555 -5.393 1.00 0.00 O ATOM 243 CB MET A 40 -0.081 9.827 -6.257 1.00 0.00 C ATOM 244 CG MET A 40 -0.655 8.462 -5.870 1.00 0.00 C ATOM 245 SD MET A 40 0.326 7.735 -4.568 1.00 0.00 S ATOM 246 CE MET A 40 -0.403 8.536 -3.148 1.00 0.00 C ATOM 0 H MET A 40 -2.418 10.338 -5.745 1.00 0.00 H new ATOM 0 HA MET A 40 -0.045 10.642 -4.256 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.451 10.115 -7.241 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.005 9.761 -6.331 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.688 8.573 -5.540 1.00 0.00 H new ATOM 0 HG3 MET A 40 -0.667 7.804 -6.739 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.591 7.796 -2.370 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.280 9.297 -2.769 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.344 9.005 -3.438 1.00 0.00 H new ATOM 254 N SER A 41 -0.743 13.019 -6.334 1.00 0.00 N ATOM 255 CA SER A 41 -0.341 14.332 -6.809 1.00 0.00 C ATOM 256 C SER A 41 -0.195 15.294 -5.628 1.00 0.00 C ATOM 257 O SER A 41 0.254 16.427 -5.797 1.00 0.00 O ATOM 258 CB SER A 41 -1.348 14.883 -7.821 1.00 0.00 C ATOM 259 OG SER A 41 -0.714 15.314 -9.022 1.00 0.00 O ATOM 0 H SER A 41 -1.704 12.760 -6.557 1.00 0.00 H new ATOM 0 HA SER A 41 0.622 14.234 -7.311 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.085 14.114 -8.055 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.889 15.718 -7.376 1.00 0.00 H new ATOM 0 HG SER A 41 -1.389 15.657 -9.643 1.00 0.00 H new ATOM 264 N LYS A 42 -0.585 14.808 -4.459 1.00 0.00 N ATOM 265 CA LYS A 42 -0.503 15.610 -3.250 1.00 0.00 C ATOM 266 C LYS A 42 0.450 14.938 -2.260 1.00 0.00 C ATOM 267 O LYS A 42 1.216 15.614 -1.574 1.00 0.00 O ATOM 268 CB LYS A 42 -1.900 15.865 -2.681 1.00 0.00 C ATOM 269 CG LYS A 42 -2.928 16.026 -3.802 1.00 0.00 C ATOM 270 CD LYS A 42 -2.719 17.343 -4.554 1.00 0.00 C ATOM 271 CE LYS A 42 -4.042 18.089 -4.730 1.00 0.00 C ATOM 272 NZ LYS A 42 -3.855 19.538 -4.490 1.00 0.00 N ATOM 0 H LYS A 42 -0.959 13.869 -4.323 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.090 16.594 -3.473 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.189 15.037 -2.034 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.887 16.763 -2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.848 15.190 -4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.934 15.998 -3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.014 17.970 -4.008 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.278 17.142 -5.530 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.426 17.928 -5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.785 17.692 -4.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.763 20.030 -4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.509 19.688 -3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.162 19.915 -5.167 1.00 0.00 H new ATOM 282 N VAL A 43 0.374 13.616 -2.218 1.00 0.00 N ATOM 283 CA VAL A 43 1.221 12.845 -1.323 1.00 0.00 C ATOM 284 C VAL A 43 2.268 12.090 -2.145 1.00 0.00 C ATOM 285 O VAL A 43 2.027 11.747 -3.302 1.00 0.00 O ATOM 286 CB VAL A 43 0.364 11.923 -0.456 1.00 0.00 C ATOM 287 CG1 VAL A 43 -0.997 11.665 -1.108 1.00 0.00 C ATOM 288 CG2 VAL A 43 1.090 10.607 -0.168 1.00 0.00 C ATOM 0 H VAL A 43 -0.261 13.059 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 43 1.756 13.505 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 43 0.191 12.426 0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.587 11.006 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.523 12.611 -1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.851 11.194 -2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.457 9.970 0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.308 10.099 -1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.022 10.813 0.358 1.00 0.00 H new ATOM 298 N ASN A 44 3.410 11.855 -1.515 1.00 0.00 N ATOM 299 CA ASN A 44 4.496 11.146 -2.173 1.00 0.00 C ATOM 300 C ASN A 44 4.331 9.643 -1.944 1.00 0.00 C ATOM 301 O ASN A 44 4.190 9.196 -0.807 1.00 0.00 O ATOM 302 CB ASN A 44 5.852 11.566 -1.602 1.00 0.00 C ATOM 303 CG ASN A 44 6.484 12.674 -2.447 1.00 0.00 C ATOM 304 OD1 ASN A 44 5.817 13.391 -3.176 1.00 0.00 O ATOM 305 ND2 ASN A 44 7.802 12.773 -2.309 1.00 0.00 N ATOM 0 H ASN A 44 3.607 12.143 -0.556 1.00 0.00 H new ATOM 0 HA ASN A 44 4.462 11.387 -3.236 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.727 11.913 -0.576 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.519 10.704 -1.568 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.318 13.482 -2.831 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.298 12.140 -1.681 1.00 0.00 H new ATOM 311 N LEU A 45 4.353 8.904 -3.044 1.00 0.00 N ATOM 312 CA LEU A 45 4.207 7.460 -2.978 1.00 0.00 C ATOM 313 C LEU A 45 5.591 6.816 -2.884 1.00 0.00 C ATOM 314 O LEU A 45 5.735 5.718 -2.347 1.00 0.00 O ATOM 315 CB LEU A 45 3.370 6.951 -4.154 1.00 0.00 C ATOM 316 CG LEU A 45 4.124 6.147 -5.214 1.00 0.00 C ATOM 317 CD1 LEU A 45 5.312 6.939 -5.762 1.00 0.00 C ATOM 318 CD2 LEU A 45 4.547 4.782 -4.669 1.00 0.00 C ATOM 0 H LEU A 45 4.470 9.278 -3.986 1.00 0.00 H new ATOM 0 HA LEU A 45 3.660 7.173 -2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.565 6.330 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.903 7.808 -4.640 1.00 0.00 H new ATOM 0 HG LEU A 45 3.447 5.964 -6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.830 6.344 -6.514 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.955 7.864 -6.214 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.999 7.174 -4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.081 4.231 -5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.199 4.921 -3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.663 4.220 -4.368 1.00 0.00 H new ATOM 329 N GLU A 46 6.576 7.526 -3.415 1.00 0.00 N ATOM 330 CA GLU A 46 7.944 7.037 -3.398 1.00 0.00 C ATOM 331 C GLU A 46 8.405 6.799 -1.958 1.00 0.00 C ATOM 332 O GLU A 46 9.099 5.822 -1.678 1.00 0.00 O ATOM 333 CB GLU A 46 8.882 8.006 -4.120 1.00 0.00 C ATOM 334 CG GLU A 46 9.422 7.387 -5.412 1.00 0.00 C ATOM 335 CD GLU A 46 10.048 8.455 -6.311 1.00 0.00 C ATOM 336 OE1 GLU A 46 10.734 9.336 -5.752 1.00 0.00 O ATOM 337 OE2 GLU A 46 9.826 8.364 -7.538 1.00 0.00 O ATOM 0 H GLU A 46 6.454 8.436 -3.860 1.00 0.00 H new ATOM 0 HA GLU A 46 7.976 6.087 -3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.350 8.929 -4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.712 8.271 -3.465 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.165 6.627 -5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.614 6.886 -5.945 1.00 0.00 H new ATOM 342 N VAL A 47 8.000 7.708 -1.083 1.00 0.00 N ATOM 343 CA VAL A 47 8.362 7.609 0.320 1.00 0.00 C ATOM 344 C VAL A 47 7.704 6.369 0.927 1.00 0.00 C ATOM 345 O VAL A 47 8.014 5.984 2.053 1.00 0.00 O ATOM 346 CB VAL A 47 7.990 8.901 1.050 1.00 0.00 C ATOM 347 CG1 VAL A 47 8.875 10.062 0.595 1.00 0.00 C ATOM 348 CG2 VAL A 47 6.509 9.233 0.854 1.00 0.00 C ATOM 0 H VAL A 47 7.425 8.516 -1.319 1.00 0.00 H new ATOM 0 HA VAL A 47 9.440 7.490 0.427 1.00 0.00 H new ATOM 0 HB VAL A 47 8.162 8.746 2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.590 10.968 1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.918 9.829 0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.749 10.218 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.270 10.156 1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.302 9.360 -0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.899 8.420 1.248 1.00 0.00 H new ATOM 358 N ILE A 48 6.806 5.777 0.153 1.00 0.00 N ATOM 359 CA ILE A 48 6.100 4.588 0.600 1.00 0.00 C ATOM 360 C ILE A 48 6.631 3.369 -0.158 1.00 0.00 C ATOM 361 O ILE A 48 6.181 2.247 0.069 1.00 0.00 O ATOM 362 CB ILE A 48 4.588 4.782 0.471 1.00 0.00 C ATOM 363 CG1 ILE A 48 4.229 6.267 0.397 1.00 0.00 C ATOM 364 CG2 ILE A 48 3.845 4.068 1.601 1.00 0.00 C ATOM 365 CD1 ILE A 48 4.425 6.946 1.756 1.00 0.00 C ATOM 0 H ILE A 48 6.551 6.099 -0.781 1.00 0.00 H new ATOM 0 HA ILE A 48 6.286 4.411 1.659 1.00 0.00 H new ATOM 0 HB ILE A 48 4.265 4.326 -0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.850 6.758 -0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.193 6.379 0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.772 4.222 1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.065 3.001 1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.168 4.471 2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.163 8.001 1.677 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.785 6.468 2.497 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.467 6.853 2.062 1.00 0.00 H new ATOM 376 N LYS A 49 7.581 3.632 -1.045 1.00 0.00 N ATOM 377 CA LYS A 49 8.179 2.571 -1.837 1.00 0.00 C ATOM 378 C LYS A 49 8.798 1.529 -0.904 1.00 0.00 C ATOM 379 O LYS A 49 8.572 0.332 -1.067 1.00 0.00 O ATOM 380 CB LYS A 49 9.165 3.151 -2.852 1.00 0.00 C ATOM 381 CG LYS A 49 8.428 3.802 -4.024 1.00 0.00 C ATOM 382 CD LYS A 49 8.141 2.780 -5.127 1.00 0.00 C ATOM 383 CE LYS A 49 6.644 2.713 -5.437 1.00 0.00 C ATOM 384 NZ LYS A 49 5.875 2.387 -4.215 1.00 0.00 N ATOM 0 H LYS A 49 7.951 4.564 -1.232 1.00 0.00 H new ATOM 0 HA LYS A 49 7.417 2.059 -2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.802 3.888 -2.364 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.818 2.361 -3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.492 4.237 -3.673 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.027 4.619 -4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.691 3.049 -6.029 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.496 1.797 -4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.307 3.668 -5.842 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.459 1.959 -6.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.858 2.396 -4.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.148 1.443 -3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.078 3.093 -3.479 1.00 0.00 H new ATOM 394 N PRO A 50 9.589 2.037 0.080 1.00 0.00 N ATOM 395 CA PRO A 50 10.243 1.163 1.040 1.00 0.00 C ATOM 396 C PRO A 50 9.243 0.633 2.070 1.00 0.00 C ATOM 397 O PRO A 50 9.424 -0.455 2.613 1.00 0.00 O ATOM 398 CB PRO A 50 11.340 2.013 1.661 1.00 0.00 C ATOM 399 CG PRO A 50 10.965 3.457 1.368 1.00 0.00 C ATOM 400 CD PRO A 50 9.879 3.450 0.304 1.00 0.00 C ATOM 0 HA PRO A 50 10.662 0.269 0.578 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.409 1.838 2.735 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.313 1.768 1.234 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.610 3.950 2.273 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.835 4.015 1.022 1.00 0.00 H new ATOM 0 HD2 PRO A 50 8.992 3.988 0.640 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.218 3.935 -0.611 1.00 0.00 H new ATOM 405 N TRP A 51 8.208 1.428 2.305 1.00 0.00 N ATOM 406 CA TRP A 51 7.179 1.051 3.259 1.00 0.00 C ATOM 407 C TRP A 51 6.351 -0.077 2.642 1.00 0.00 C ATOM 408 O TRP A 51 6.086 -1.086 3.294 1.00 0.00 O ATOM 409 CB TRP A 51 6.335 2.263 3.660 1.00 0.00 C ATOM 410 CG TRP A 51 5.375 1.995 4.822 1.00 0.00 C ATOM 411 CD1 TRP A 51 5.512 2.356 6.106 1.00 0.00 C ATOM 412 CD2 TRP A 51 4.117 1.292 4.753 1.00 0.00 C ATOM 413 NE1 TRP A 51 4.439 1.938 6.866 1.00 0.00 N ATOM 414 CE2 TRP A 51 3.564 1.270 6.018 1.00 0.00 C ATOM 415 CE3 TRP A 51 3.468 0.693 3.660 1.00 0.00 C ATOM 416 CZ2 TRP A 51 2.336 0.662 6.307 1.00 0.00 C ATOM 417 CZ3 TRP A 51 2.242 0.089 3.966 1.00 0.00 C ATOM 418 CH2 TRP A 51 1.672 0.059 5.233 1.00 0.00 C ATOM 0 H TRP A 51 8.061 2.330 1.852 1.00 0.00 H new ATOM 0 HA TRP A 51 7.625 0.687 4.185 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.000 3.082 3.933 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.760 2.594 2.796 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.356 2.905 6.496 1.00 0.00 H new ATOM 0 HE1 TRP A 51 4.311 2.091 7.866 1.00 0.00 H new ATOM 0 HE3 TRP A 51 3.882 0.698 2.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 1.924 0.659 7.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.702 -0.387 3.161 1.00 0.00 H new ATOM 0 HH2 TRP A 51 0.720 -0.428 5.388 1.00 0.00 H new ATOM 428 N ILE A 52 5.964 0.131 1.392 1.00 0.00 N ATOM 429 CA ILE A 52 5.172 -0.856 0.679 1.00 0.00 C ATOM 430 C ILE A 52 6.032 -2.092 0.403 1.00 0.00 C ATOM 431 O ILE A 52 5.635 -3.211 0.722 1.00 0.00 O ATOM 432 CB ILE A 52 4.556 -0.242 -0.580 1.00 0.00 C ATOM 433 CG1 ILE A 52 3.181 0.358 -0.281 1.00 0.00 C ATOM 434 CG2 ILE A 52 4.502 -1.263 -1.718 1.00 0.00 C ATOM 435 CD1 ILE A 52 3.117 1.824 -0.713 1.00 0.00 C ATOM 0 H ILE A 52 6.185 0.969 0.855 1.00 0.00 H new ATOM 0 HA ILE A 52 4.331 -1.182 1.291 1.00 0.00 H new ATOM 0 HB ILE A 52 5.198 0.574 -0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.411 -0.212 -0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.970 0.280 0.786 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.060 -0.801 -2.601 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.512 -1.601 -1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.896 -2.116 -1.413 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.129 2.226 -0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.872 2.396 -0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.304 1.896 -1.784 1.00 0.00 H new ATOM 446 N THR A 53 7.192 -1.845 -0.185 1.00 0.00 N ATOM 447 CA THR A 53 8.112 -2.924 -0.508 1.00 0.00 C ATOM 448 C THR A 53 8.468 -3.715 0.752 1.00 0.00 C ATOM 449 O THR A 53 8.557 -4.942 0.715 1.00 0.00 O ATOM 450 CB THR A 53 9.329 -2.315 -1.208 1.00 0.00 C ATOM 451 OG1 THR A 53 8.794 -1.741 -2.397 1.00 0.00 O ATOM 452 CG2 THR A 53 10.306 -3.378 -1.712 1.00 0.00 C ATOM 0 H THR A 53 7.517 -0.914 -0.447 1.00 0.00 H new ATOM 0 HA THR A 53 7.655 -3.643 -1.188 1.00 0.00 H new ATOM 0 HB THR A 53 9.846 -1.645 -0.521 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.385 -0.875 -2.187 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.151 -2.893 -2.200 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.665 -3.971 -0.871 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.800 -4.029 -2.425 1.00 0.00 H new ATOM 460 N LYS A 54 8.662 -2.981 1.838 1.00 0.00 N ATOM 461 CA LYS A 54 9.007 -3.599 3.107 1.00 0.00 C ATOM 462 C LYS A 54 7.777 -4.312 3.673 1.00 0.00 C ATOM 463 O LYS A 54 7.890 -5.400 4.237 1.00 0.00 O ATOM 464 CB LYS A 54 9.610 -2.565 4.060 1.00 0.00 C ATOM 465 CG LYS A 54 10.041 -3.218 5.375 1.00 0.00 C ATOM 466 CD LYS A 54 9.345 -2.559 6.567 1.00 0.00 C ATOM 467 CE LYS A 54 10.326 -2.333 7.719 1.00 0.00 C ATOM 468 NZ LYS A 54 10.073 -1.026 8.367 1.00 0.00 N ATOM 0 H LYS A 54 8.587 -1.964 1.865 1.00 0.00 H new ATOM 0 HA LYS A 54 9.778 -4.356 2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.469 -2.087 3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.880 -1.781 4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.803 -4.281 5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.122 -3.136 5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.914 -1.606 6.260 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.521 -3.188 6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.227 -3.134 8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.349 -2.368 7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.748 -0.889 9.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.191 -0.264 7.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.103 -1.006 8.741 1.00 0.00 H new ATOM 478 N ARG A 55 6.630 -3.672 3.501 1.00 0.00 N ATOM 479 CA ARG A 55 5.380 -4.231 3.988 1.00 0.00 C ATOM 480 C ARG A 55 5.016 -5.487 3.192 1.00 0.00 C ATOM 481 O ARG A 55 4.724 -6.531 3.774 1.00 0.00 O ATOM 482 CB ARG A 55 4.241 -3.216 3.875 1.00 0.00 C ATOM 483 CG ARG A 55 4.074 -2.433 5.178 1.00 0.00 C ATOM 484 CD ARG A 55 3.684 -3.361 6.330 1.00 0.00 C ATOM 485 NE ARG A 55 4.610 -3.171 7.469 1.00 0.00 N ATOM 486 CZ ARG A 55 4.617 -3.937 8.568 1.00 0.00 C ATOM 487 NH1 ARG A 55 3.746 -4.950 8.684 1.00 0.00 N ATOM 488 NH2 ARG A 55 5.493 -3.692 9.551 1.00 0.00 N ATOM 0 H ARG A 55 6.540 -2.771 3.031 1.00 0.00 H new ATOM 0 HA ARG A 55 5.518 -4.488 5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.443 -2.526 3.055 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.311 -3.732 3.635 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.005 -1.919 5.419 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.310 -1.666 5.050 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.661 -3.154 6.644 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.712 -4.399 5.997 1.00 0.00 H new ATOM 0 HE ARG A 55 5.285 -2.409 7.414 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.079 -5.137 7.936 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.751 -5.534 9.521 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.156 -2.922 9.463 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.497 -4.276 10.387 1.00 0.00 H new ATOM 499 N VAL A 56 5.044 -5.344 1.876 1.00 0.00 N ATOM 500 CA VAL A 56 4.720 -6.454 0.996 1.00 0.00 C ATOM 501 C VAL A 56 5.737 -7.578 1.204 1.00 0.00 C ATOM 502 O VAL A 56 5.373 -8.753 1.219 1.00 0.00 O ATOM 503 CB VAL A 56 4.654 -5.969 -0.455 1.00 0.00 C ATOM 504 CG1 VAL A 56 3.498 -4.988 -0.652 1.00 0.00 C ATOM 505 CG2 VAL A 56 5.983 -5.344 -0.884 1.00 0.00 C ATOM 0 H VAL A 56 5.286 -4.476 1.397 1.00 0.00 H new ATOM 0 HA VAL A 56 3.736 -6.857 1.236 1.00 0.00 H new ATOM 0 HB VAL A 56 4.470 -6.835 -1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.473 -4.659 -1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.557 -5.480 -0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.638 -4.125 -0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.910 -5.008 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.209 -4.494 -0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.778 -6.085 -0.799 1.00 0.00 H new ATOM 515 N THR A 57 6.990 -7.178 1.361 1.00 0.00 N ATOM 516 CA THR A 57 8.061 -8.138 1.569 1.00 0.00 C ATOM 517 C THR A 57 7.930 -8.794 2.944 1.00 0.00 C ATOM 518 O THR A 57 8.142 -9.997 3.085 1.00 0.00 O ATOM 519 CB THR A 57 9.393 -7.412 1.366 1.00 0.00 C ATOM 520 OG1 THR A 57 9.391 -7.061 -0.015 1.00 0.00 O ATOM 521 CG2 THR A 57 10.597 -8.344 1.513 1.00 0.00 C ATOM 0 H THR A 57 7.288 -6.203 1.348 1.00 0.00 H new ATOM 0 HA THR A 57 8.006 -8.954 0.848 1.00 0.00 H new ATOM 0 HB THR A 57 9.475 -6.598 2.086 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.173 -6.110 -0.111 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.516 -7.778 1.359 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.601 -8.778 2.513 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.533 -9.141 0.772 1.00 0.00 H new ATOM 529 N GLU A 58 7.582 -7.973 3.925 1.00 0.00 N ATOM 530 CA GLU A 58 7.420 -8.459 5.285 1.00 0.00 C ATOM 531 C GLU A 58 6.136 -9.282 5.405 1.00 0.00 C ATOM 532 O GLU A 58 6.051 -10.189 6.231 1.00 0.00 O ATOM 533 CB GLU A 58 7.425 -7.302 6.285 1.00 0.00 C ATOM 534 CG GLU A 58 8.855 -6.890 6.640 1.00 0.00 C ATOM 535 CD GLU A 58 8.972 -6.545 8.126 1.00 0.00 C ATOM 536 OE1 GLU A 58 8.054 -5.860 8.624 1.00 0.00 O ATOM 537 OE2 GLU A 58 9.980 -6.973 8.731 1.00 0.00 O ATOM 0 H GLU A 58 7.408 -6.975 3.805 1.00 0.00 H new ATOM 0 HA GLU A 58 8.266 -9.104 5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.891 -6.450 5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.892 -7.596 7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.542 -7.700 6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.150 -6.030 6.039 1.00 0.00 H new ATOM 542 N ILE A 59 5.168 -8.936 4.569 1.00 0.00 N ATOM 543 CA ILE A 59 3.892 -9.632 4.571 1.00 0.00 C ATOM 544 C ILE A 59 4.131 -11.125 4.342 1.00 0.00 C ATOM 545 O ILE A 59 3.579 -11.962 5.056 1.00 0.00 O ATOM 546 CB ILE A 59 2.936 -8.999 3.559 1.00 0.00 C ATOM 547 CG1 ILE A 59 2.277 -7.745 4.136 1.00 0.00 C ATOM 548 CG2 ILE A 59 1.902 -10.017 3.072 1.00 0.00 C ATOM 549 CD1 ILE A 59 1.887 -6.770 3.024 1.00 0.00 C ATOM 0 H ILE A 59 5.242 -8.183 3.885 1.00 0.00 H new ATOM 0 HA ILE A 59 3.404 -9.532 5.541 1.00 0.00 H new ATOM 0 HB ILE A 59 3.516 -8.687 2.691 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.391 -8.025 4.706 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.961 -7.256 4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.234 -9.542 2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.412 -10.854 2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.322 -10.381 3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.421 -5.887 3.461 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.778 -6.473 2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.184 -7.254 2.346 1.00 0.00 H new ATOM 560 N LEU A 60 4.953 -11.416 3.345 1.00 0.00 N ATOM 561 CA LEU A 60 5.270 -12.794 3.013 1.00 0.00 C ATOM 562 C LEU A 60 6.637 -13.153 3.599 1.00 0.00 C ATOM 563 O LEU A 60 6.795 -14.205 4.216 1.00 0.00 O ATOM 564 CB LEU A 60 5.170 -13.018 1.503 1.00 0.00 C ATOM 565 CG LEU A 60 4.853 -11.781 0.660 1.00 0.00 C ATOM 566 CD1 LEU A 60 6.132 -11.034 0.278 1.00 0.00 C ATOM 567 CD2 LEU A 60 4.018 -12.153 -0.566 1.00 0.00 C ATOM 0 H LEU A 60 5.410 -10.720 2.756 1.00 0.00 H new ATOM 0 HA LEU A 60 4.543 -13.471 3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.114 -13.438 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.400 -13.767 1.317 1.00 0.00 H new ATOM 0 HG LEU A 60 4.253 -11.101 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.878 -10.159 -0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.652 -10.716 1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.780 -11.693 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.807 -11.256 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.571 -12.863 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.080 -12.606 -0.244 1.00 0.00 H new ATOM 578 N GLY A 61 7.591 -12.258 3.386 1.00 0.00 N ATOM 579 CA GLY A 61 8.939 -12.467 3.885 1.00 0.00 C ATOM 580 C GLY A 61 9.968 -12.325 2.762 1.00 0.00 C ATOM 581 O GLY A 61 11.170 -12.287 3.017 1.00 0.00 O ATOM 0 H GLY A 61 7.456 -11.386 2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.154 -11.746 4.674 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.016 -13.459 4.330 1.00 0.00 H new ATOM 585 N PHE A 62 9.457 -12.252 1.541 1.00 0.00 N ATOM 586 CA PHE A 62 10.318 -12.117 0.378 1.00 0.00 C ATOM 587 C PHE A 62 9.889 -10.927 -0.485 1.00 0.00 C ATOM 588 O PHE A 62 8.727 -10.524 -0.458 1.00 0.00 O ATOM 589 CB PHE A 62 10.172 -13.402 -0.439 1.00 0.00 C ATOM 590 CG PHE A 62 8.738 -13.931 -0.518 1.00 0.00 C ATOM 591 CD1 PHE A 62 7.873 -13.417 -1.432 1.00 0.00 C ATOM 592 CD2 PHE A 62 8.329 -14.914 0.327 1.00 0.00 C ATOM 593 CE1 PHE A 62 6.543 -13.908 -1.506 1.00 0.00 C ATOM 594 CE2 PHE A 62 6.998 -15.405 0.255 1.00 0.00 C ATOM 595 CZ PHE A 62 6.133 -14.891 -0.661 1.00 0.00 C ATOM 0 H PHE A 62 8.459 -12.284 1.332 1.00 0.00 H new ATOM 0 HA PHE A 62 11.348 -11.951 0.694 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.538 -13.221 -1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.809 -14.172 -0.003 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.198 -12.635 -2.102 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.016 -15.322 1.053 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.857 -13.501 -2.234 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.673 -16.186 0.927 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.121 -15.264 -0.717 1.00 0.00 H new ATOM 604 N GLU A 63 10.850 -10.401 -1.229 1.00 0.00 N ATOM 605 CA GLU A 63 10.586 -9.266 -2.098 1.00 0.00 C ATOM 606 C GLU A 63 9.716 -9.694 -3.282 1.00 0.00 C ATOM 607 O GLU A 63 10.167 -10.439 -4.151 1.00 0.00 O ATOM 608 CB GLU A 63 11.890 -8.628 -2.579 1.00 0.00 C ATOM 609 CG GLU A 63 11.662 -7.186 -3.033 1.00 0.00 C ATOM 610 CD GLU A 63 12.622 -6.807 -4.163 1.00 0.00 C ATOM 611 OE1 GLU A 63 13.820 -7.137 -4.024 1.00 0.00 O ATOM 612 OE2 GLU A 63 12.137 -6.198 -5.140 1.00 0.00 O ATOM 0 H GLU A 63 11.812 -10.739 -1.249 1.00 0.00 H new ATOM 0 HA GLU A 63 10.042 -8.515 -1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.626 -8.648 -1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.302 -9.211 -3.403 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.633 -7.066 -3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.802 -6.509 -2.190 1.00 0.00 H new ATOM 617 N ASP A 64 8.485 -9.206 -3.278 1.00 0.00 N ATOM 618 CA ASP A 64 7.547 -9.529 -4.340 1.00 0.00 C ATOM 619 C ASP A 64 7.874 -8.688 -5.575 1.00 0.00 C ATOM 620 O ASP A 64 8.906 -8.021 -5.621 1.00 0.00 O ATOM 621 CB ASP A 64 6.110 -9.216 -3.921 1.00 0.00 C ATOM 622 CG ASP A 64 5.446 -10.279 -3.043 1.00 0.00 C ATOM 623 OD1 ASP A 64 5.757 -11.470 -3.261 1.00 0.00 O ATOM 624 OD2 ASP A 64 4.642 -9.876 -2.175 1.00 0.00 O ATOM 0 H ASP A 64 8.115 -8.589 -2.556 1.00 0.00 H new ATOM 0 HA ASP A 64 7.635 -10.594 -4.555 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.102 -8.267 -3.385 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.507 -9.080 -4.819 1.00 0.00 H new ATOM 628 N ASP A 65 6.975 -8.747 -6.546 1.00 0.00 N ATOM 629 CA ASP A 65 7.153 -7.998 -7.779 1.00 0.00 C ATOM 630 C ASP A 65 5.784 -7.668 -8.374 1.00 0.00 C ATOM 631 O ASP A 65 5.493 -6.509 -8.667 1.00 0.00 O ATOM 632 CB ASP A 65 7.933 -8.815 -8.811 1.00 0.00 C ATOM 633 CG ASP A 65 9.299 -8.242 -9.191 1.00 0.00 C ATOM 634 OD1 ASP A 65 10.271 -8.563 -8.473 1.00 0.00 O ATOM 635 OD2 ASP A 65 9.342 -7.495 -10.193 1.00 0.00 O ATOM 0 H ASP A 65 6.120 -9.302 -6.504 1.00 0.00 H new ATOM 0 HA ASP A 65 7.707 -7.089 -7.544 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.074 -9.823 -8.422 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.329 -8.903 -9.714 1.00 0.00 H new ATOM 639 N VAL A 66 4.978 -8.707 -8.534 1.00 0.00 N ATOM 640 CA VAL A 66 3.645 -8.542 -9.089 1.00 0.00 C ATOM 641 C VAL A 66 2.806 -7.681 -8.143 1.00 0.00 C ATOM 642 O VAL A 66 2.038 -6.830 -8.589 1.00 0.00 O ATOM 643 CB VAL A 66 3.019 -9.911 -9.365 1.00 0.00 C ATOM 644 CG1 VAL A 66 2.063 -10.312 -8.240 1.00 0.00 C ATOM 645 CG2 VAL A 66 2.310 -9.927 -10.720 1.00 0.00 C ATOM 0 H VAL A 66 5.222 -9.667 -8.289 1.00 0.00 H new ATOM 0 HA VAL A 66 3.692 -8.022 -10.046 1.00 0.00 H new ATOM 0 HB VAL A 66 3.823 -10.647 -9.400 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.631 -11.288 -8.460 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.610 -10.361 -7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.266 -9.573 -8.159 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.874 -10.911 -10.891 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.521 -9.175 -10.727 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.029 -9.706 -11.509 1.00 0.00 H new ATOM 655 N VAL A 67 2.982 -7.931 -6.854 1.00 0.00 N ATOM 656 CA VAL A 67 2.251 -7.189 -5.840 1.00 0.00 C ATOM 657 C VAL A 67 2.789 -5.759 -5.775 1.00 0.00 C ATOM 658 O VAL A 67 2.016 -4.803 -5.721 1.00 0.00 O ATOM 659 CB VAL A 67 2.331 -7.920 -4.498 1.00 0.00 C ATOM 660 CG1 VAL A 67 2.419 -9.433 -4.702 1.00 0.00 C ATOM 661 CG2 VAL A 67 3.507 -7.409 -3.664 1.00 0.00 C ATOM 0 H VAL A 67 3.620 -8.637 -6.488 1.00 0.00 H new ATOM 0 HA VAL A 67 1.194 -7.127 -6.099 1.00 0.00 H new ATOM 0 HB VAL A 67 1.414 -7.710 -3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.475 -9.928 -3.733 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.535 -9.780 -5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.310 -9.671 -5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.541 -7.945 -2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.437 -7.574 -4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.382 -6.343 -3.474 1.00 0.00 H new ATOM 671 N ILE A 68 4.110 -5.656 -5.782 1.00 0.00 N ATOM 672 CA ILE A 68 4.759 -4.357 -5.724 1.00 0.00 C ATOM 673 C ILE A 68 4.371 -3.541 -6.959 1.00 0.00 C ATOM 674 O ILE A 68 4.031 -2.365 -6.849 1.00 0.00 O ATOM 675 CB ILE A 68 6.270 -4.522 -5.546 1.00 0.00 C ATOM 676 CG1 ILE A 68 6.588 -5.397 -4.333 1.00 0.00 C ATOM 677 CG2 ILE A 68 6.965 -3.160 -5.468 1.00 0.00 C ATOM 678 CD1 ILE A 68 8.037 -5.888 -4.374 1.00 0.00 C ATOM 0 H ILE A 68 4.748 -6.450 -5.827 1.00 0.00 H new ATOM 0 HA ILE A 68 4.417 -3.799 -4.853 1.00 0.00 H new ATOM 0 HB ILE A 68 6.663 -5.035 -6.424 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.418 -4.831 -3.417 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.912 -6.251 -4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.038 -3.306 -5.342 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.780 -2.604 -6.387 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.573 -2.599 -4.620 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.236 -6.508 -3.500 1.00 0.00 H new ATOM 0 HD12 ILE A 68 8.197 -6.475 -5.279 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.711 -5.032 -4.373 1.00 0.00 H new ATOM 689 N GLU A 69 4.434 -4.200 -8.107 1.00 0.00 N ATOM 690 CA GLU A 69 4.093 -3.550 -9.362 1.00 0.00 C ATOM 691 C GLU A 69 2.668 -2.998 -9.303 1.00 0.00 C ATOM 692 O GLU A 69 2.411 -1.884 -9.754 1.00 0.00 O ATOM 693 CB GLU A 69 4.262 -4.511 -10.540 1.00 0.00 C ATOM 694 CG GLU A 69 5.518 -4.177 -11.347 1.00 0.00 C ATOM 695 CD GLU A 69 5.233 -4.224 -12.849 1.00 0.00 C ATOM 696 OE1 GLU A 69 4.380 -5.051 -13.240 1.00 0.00 O ATOM 697 OE2 GLU A 69 5.875 -3.433 -13.573 1.00 0.00 O ATOM 0 H GLU A 69 4.716 -5.176 -8.195 1.00 0.00 H new ATOM 0 HA GLU A 69 4.778 -2.716 -9.516 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.324 -5.535 -10.172 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.386 -4.457 -11.186 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.878 -3.186 -11.072 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.311 -4.883 -11.101 1.00 0.00 H new ATOM 702 N PHE A 70 1.777 -3.804 -8.744 1.00 0.00 N ATOM 703 CA PHE A 70 0.384 -3.411 -8.621 1.00 0.00 C ATOM 704 C PHE A 70 0.251 -2.107 -7.831 1.00 0.00 C ATOM 705 O PHE A 70 -0.457 -1.193 -8.251 1.00 0.00 O ATOM 706 CB PHE A 70 -0.331 -4.529 -7.860 1.00 0.00 C ATOM 707 CG PHE A 70 -0.954 -5.596 -8.762 1.00 0.00 C ATOM 708 CD1 PHE A 70 -1.802 -5.232 -9.760 1.00 0.00 C ATOM 709 CD2 PHE A 70 -0.659 -6.909 -8.566 1.00 0.00 C ATOM 710 CE1 PHE A 70 -2.380 -6.222 -10.598 1.00 0.00 C ATOM 711 CE2 PHE A 70 -1.237 -7.899 -9.403 1.00 0.00 C ATOM 712 CZ PHE A 70 -2.085 -7.535 -10.401 1.00 0.00 C ATOM 0 H PHE A 70 1.993 -4.728 -8.371 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.047 -3.252 -9.610 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.379 -5.007 -7.186 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.113 -4.090 -7.240 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.036 -4.189 -9.916 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.015 -7.198 -7.773 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.053 -5.933 -11.391 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.003 -8.942 -9.247 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.525 -8.289 -11.038 1.00 0.00 H new ATOM 721 N ILE A 71 0.943 -2.063 -6.701 1.00 0.00 N ATOM 722 CA ILE A 71 0.910 -0.886 -5.850 1.00 0.00 C ATOM 723 C ILE A 71 1.700 0.242 -6.516 1.00 0.00 C ATOM 724 O ILE A 71 1.276 1.396 -6.496 1.00 0.00 O ATOM 725 CB ILE A 71 1.399 -1.230 -4.441 1.00 0.00 C ATOM 726 CG1 ILE A 71 0.564 -2.358 -3.832 1.00 0.00 C ATOM 727 CG2 ILE A 71 1.421 0.012 -3.550 1.00 0.00 C ATOM 728 CD1 ILE A 71 1.444 -3.555 -3.464 1.00 0.00 C ATOM 0 H ILE A 71 1.529 -2.823 -6.356 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.114 -0.531 -5.730 1.00 0.00 H new ATOM 0 HB ILE A 71 2.425 -1.592 -4.514 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.048 -1.994 -2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.203 -2.670 -4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.772 -0.260 -2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.091 0.756 -3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.415 0.427 -3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.826 -4.342 -3.033 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.939 -3.931 -4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.195 -3.245 -2.737 1.00 0.00 H new ATOM 739 N PHE A 72 2.834 -0.131 -7.090 1.00 0.00 N ATOM 740 CA PHE A 72 3.687 0.835 -7.762 1.00 0.00 C ATOM 741 C PHE A 72 2.980 1.438 -8.977 1.00 0.00 C ATOM 742 O PHE A 72 2.960 2.657 -9.146 1.00 0.00 O ATOM 743 CB PHE A 72 4.932 0.081 -8.232 1.00 0.00 C ATOM 744 CG PHE A 72 5.966 -0.160 -7.131 1.00 0.00 C ATOM 745 CD1 PHE A 72 5.569 -0.257 -5.834 1.00 0.00 C ATOM 746 CD2 PHE A 72 7.283 -0.277 -7.449 1.00 0.00 C ATOM 747 CE1 PHE A 72 6.529 -0.481 -4.811 1.00 0.00 C ATOM 748 CE2 PHE A 72 8.244 -0.501 -6.427 1.00 0.00 C ATOM 749 CZ PHE A 72 7.846 -0.598 -5.129 1.00 0.00 C ATOM 0 H PHE A 72 3.182 -1.090 -7.104 1.00 0.00 H new ATOM 0 HA PHE A 72 3.938 1.648 -7.081 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.627 -0.880 -8.647 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.401 0.643 -9.040 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.523 -0.164 -5.581 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.599 -0.200 -8.479 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.213 -0.558 -3.781 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.290 -0.594 -6.680 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.576 -0.768 -4.352 1.00 0.00 H new ATOM 758 N ASN A 73 2.419 0.557 -9.792 1.00 0.00 N ATOM 759 CA ASN A 73 1.714 0.988 -10.988 1.00 0.00 C ATOM 760 C ASN A 73 0.469 1.781 -10.583 1.00 0.00 C ATOM 761 O ASN A 73 0.127 2.776 -11.221 1.00 0.00 O ATOM 762 CB ASN A 73 1.259 -0.212 -11.821 1.00 0.00 C ATOM 763 CG ASN A 73 2.402 -0.739 -12.690 1.00 0.00 C ATOM 764 OD1 ASN A 73 2.436 -0.555 -13.896 1.00 0.00 O ATOM 765 ND2 ASN A 73 3.333 -1.405 -12.014 1.00 0.00 N ATOM 0 H ASN A 73 2.438 -0.453 -9.648 1.00 0.00 H new ATOM 0 HA ASN A 73 2.395 1.600 -11.579 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.904 -1.004 -11.161 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.420 0.077 -12.453 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.136 -1.798 -12.505 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.244 -1.523 -11.005 1.00 0.00 H new ATOM 771 N GLN A 74 -0.174 1.310 -9.524 1.00 0.00 N ATOM 772 CA GLN A 74 -1.374 1.963 -9.027 1.00 0.00 C ATOM 773 C GLN A 74 -1.013 3.279 -8.333 1.00 0.00 C ATOM 774 O GLN A 74 -1.727 4.271 -8.469 1.00 0.00 O ATOM 775 CB GLN A 74 -2.149 1.041 -8.083 1.00 0.00 C ATOM 776 CG GLN A 74 -2.971 0.018 -8.869 1.00 0.00 C ATOM 777 CD GLN A 74 -2.216 -0.452 -10.115 1.00 0.00 C ATOM 778 OE1 GLN A 74 -1.889 0.319 -11.002 1.00 0.00 O ATOM 779 NE2 GLN A 74 -1.957 -1.757 -10.132 1.00 0.00 N ATOM 0 H GLN A 74 0.113 0.485 -8.997 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.020 2.187 -9.876 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.454 0.524 -7.422 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.809 1.634 -7.450 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.198 -0.837 -8.233 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.924 0.459 -9.162 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.259 -2.347 -9.357 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.457 -2.167 -10.920 1.00 0.00 H new ATOM 786 N LEU A 75 0.093 3.244 -7.606 1.00 0.00 N ATOM 787 CA LEU A 75 0.557 4.421 -6.892 1.00 0.00 C ATOM 788 C LEU A 75 1.269 5.358 -7.869 1.00 0.00 C ATOM 789 O LEU A 75 1.695 6.448 -7.491 1.00 0.00 O ATOM 790 CB LEU A 75 1.415 4.016 -5.692 1.00 0.00 C ATOM 791 CG LEU A 75 0.668 3.384 -4.515 1.00 0.00 C ATOM 792 CD1 LEU A 75 1.596 3.197 -3.313 1.00 0.00 C ATOM 793 CD2 LEU A 75 -0.577 4.197 -4.157 1.00 0.00 C ATOM 0 H LEU A 75 0.682 2.419 -7.496 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.287 4.973 -6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.174 3.313 -6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.940 4.901 -5.331 1.00 0.00 H new ATOM 0 HG LEU A 75 0.330 2.393 -4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.040 2.746 -2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.425 2.546 -3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.985 4.166 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.090 3.727 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.283 5.210 -3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.247 4.235 -5.016 1.00 0.00 H new ATOM 804 N GLU A 76 1.377 4.898 -9.107 1.00 0.00 N ATOM 805 CA GLU A 76 2.031 5.681 -10.141 1.00 0.00 C ATOM 806 C GLU A 76 1.053 6.696 -10.737 1.00 0.00 C ATOM 807 O GLU A 76 1.451 7.571 -11.505 1.00 0.00 O ATOM 808 CB GLU A 76 2.613 4.777 -11.229 1.00 0.00 C ATOM 809 CG GLU A 76 4.063 4.406 -10.916 1.00 0.00 C ATOM 810 CD GLU A 76 5.010 4.930 -11.999 1.00 0.00 C ATOM 811 OE1 GLU A 76 5.141 6.170 -12.085 1.00 0.00 O ATOM 812 OE2 GLU A 76 5.580 4.080 -12.715 1.00 0.00 O ATOM 0 H GLU A 76 1.023 3.993 -9.417 1.00 0.00 H new ATOM 0 HA GLU A 76 2.859 6.226 -9.687 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.012 3.871 -11.314 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.564 5.284 -12.193 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.347 4.820 -9.948 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.156 3.323 -10.839 1.00 0.00 H new ATOM 817 N VAL A 77 -0.209 6.543 -10.362 1.00 0.00 N ATOM 818 CA VAL A 77 -1.247 7.435 -10.850 1.00 0.00 C ATOM 819 C VAL A 77 -1.513 8.521 -9.806 1.00 0.00 C ATOM 820 O VAL A 77 -0.759 8.660 -8.844 1.00 0.00 O ATOM 821 CB VAL A 77 -2.500 6.633 -11.210 1.00 0.00 C ATOM 822 CG1 VAL A 77 -2.137 5.378 -12.007 1.00 0.00 C ATOM 823 CG2 VAL A 77 -3.299 6.273 -9.955 1.00 0.00 C ATOM 0 H VAL A 77 -0.536 5.815 -9.726 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.923 7.934 -11.763 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.130 7.260 -11.841 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.045 4.826 -12.250 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.630 5.666 -12.928 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.477 4.747 -11.411 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.184 5.704 -10.238 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.679 5.673 -9.289 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.603 7.186 -9.443 1.00 0.00 H new ATOM 833 N LYS A 78 -2.587 9.263 -10.031 1.00 0.00 N ATOM 834 CA LYS A 78 -2.962 10.333 -9.121 1.00 0.00 C ATOM 835 C LYS A 78 -4.145 9.879 -8.265 1.00 0.00 C ATOM 836 O LYS A 78 -4.412 10.455 -7.212 1.00 0.00 O ATOM 837 CB LYS A 78 -3.223 11.627 -9.894 1.00 0.00 C ATOM 838 CG LYS A 78 -2.039 11.974 -10.800 1.00 0.00 C ATOM 839 CD LYS A 78 -2.206 11.344 -12.185 1.00 0.00 C ATOM 840 CE LYS A 78 -3.424 11.923 -12.907 1.00 0.00 C ATOM 841 NZ LYS A 78 -3.134 12.108 -14.347 1.00 0.00 N ATOM 0 H LYS A 78 -3.210 9.145 -10.830 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.142 10.556 -8.438 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.126 11.520 -10.495 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.401 12.443 -9.194 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.955 13.056 -10.897 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.113 11.622 -10.345 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.309 11.520 -12.779 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.317 10.264 -12.086 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.278 11.256 -12.785 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.699 12.878 -12.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.971 12.502 -14.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.333 12.762 -14.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.894 11.190 -14.773 1.00 0.00 H new ATOM 851 N ASN A 79 -4.823 8.849 -8.751 1.00 0.00 N ATOM 852 CA ASN A 79 -5.973 8.310 -8.043 1.00 0.00 C ATOM 853 C ASN A 79 -5.969 6.784 -8.160 1.00 0.00 C ATOM 854 O ASN A 79 -6.561 6.227 -9.083 1.00 0.00 O ATOM 855 CB ASN A 79 -7.282 8.826 -8.644 1.00 0.00 C ATOM 856 CG ASN A 79 -8.039 9.698 -7.641 1.00 0.00 C ATOM 857 OD1 ASN A 79 -9.058 9.313 -7.090 1.00 0.00 O ATOM 858 ND2 ASN A 79 -7.487 10.890 -7.435 1.00 0.00 N ATOM 0 H ASN A 79 -4.599 8.374 -9.625 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.905 8.625 -7.002 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.071 9.402 -9.545 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.906 7.984 -8.943 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.917 11.545 -6.783 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.633 11.149 -7.929 1.00 0.00 H new ATOM 864 N PRO A 80 -5.276 6.135 -7.186 1.00 0.00 N ATOM 865 CA PRO A 80 -5.187 4.685 -7.171 1.00 0.00 C ATOM 866 C PRO A 80 -6.502 4.060 -6.700 1.00 0.00 C ATOM 867 O PRO A 80 -7.248 4.674 -5.939 1.00 0.00 O ATOM 868 CB PRO A 80 -4.018 4.372 -6.251 1.00 0.00 C ATOM 869 CG PRO A 80 -3.791 5.626 -5.423 1.00 0.00 C ATOM 870 CD PRO A 80 -4.562 6.762 -6.078 1.00 0.00 C ATOM 0 HA PRO A 80 -5.021 4.264 -8.162 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.242 3.518 -5.612 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.127 4.116 -6.825 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.131 5.474 -4.399 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.728 5.864 -5.374 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.253 7.229 -5.375 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.890 7.544 -6.432 1.00 0.00 H new ATOM 875 N ASP A 81 -6.745 2.847 -7.173 1.00 0.00 N ATOM 876 CA ASP A 81 -7.958 2.131 -6.810 1.00 0.00 C ATOM 877 C ASP A 81 -7.648 1.156 -5.673 1.00 0.00 C ATOM 878 O ASP A 81 -7.354 -0.014 -5.916 1.00 0.00 O ATOM 879 CB ASP A 81 -8.495 1.323 -7.993 1.00 0.00 C ATOM 880 CG ASP A 81 -9.851 0.656 -7.757 1.00 0.00 C ATOM 881 OD1 ASP A 81 -10.463 0.967 -6.713 1.00 0.00 O ATOM 882 OD2 ASP A 81 -10.246 -0.151 -8.627 1.00 0.00 O ATOM 0 H ASP A 81 -6.124 2.341 -7.804 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.705 2.864 -6.506 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.577 1.982 -8.857 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.767 0.553 -8.248 1.00 0.00 H new ATOM 886 N SER A 82 -7.724 1.672 -4.456 1.00 0.00 N ATOM 887 CA SER A 82 -7.455 0.861 -3.280 1.00 0.00 C ATOM 888 C SER A 82 -8.172 -0.485 -3.398 1.00 0.00 C ATOM 889 O SER A 82 -7.751 -1.470 -2.796 1.00 0.00 O ATOM 890 CB SER A 82 -7.888 1.583 -2.003 1.00 0.00 C ATOM 891 OG SER A 82 -9.274 1.918 -2.023 1.00 0.00 O ATOM 0 H SER A 82 -7.968 2.642 -4.258 1.00 0.00 H new ATOM 0 HA SER A 82 -6.380 0.689 -3.221 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.680 0.950 -1.140 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.297 2.491 -1.882 1.00 0.00 H new ATOM 0 HG SER A 82 -9.456 2.600 -1.343 1.00 0.00 H new ATOM 896 N LYS A 83 -9.243 -0.483 -4.178 1.00 0.00 N ATOM 897 CA LYS A 83 -10.022 -1.692 -4.384 1.00 0.00 C ATOM 898 C LYS A 83 -9.151 -2.744 -5.072 1.00 0.00 C ATOM 899 O LYS A 83 -9.064 -3.882 -4.612 1.00 0.00 O ATOM 900 CB LYS A 83 -11.314 -1.375 -5.138 1.00 0.00 C ATOM 901 CG LYS A 83 -12.077 -0.232 -4.464 1.00 0.00 C ATOM 902 CD LYS A 83 -13.113 -0.772 -3.476 1.00 0.00 C ATOM 903 CE LYS A 83 -13.310 0.194 -2.306 1.00 0.00 C ATOM 904 NZ LYS A 83 -14.747 0.313 -1.970 1.00 0.00 N ATOM 0 H LYS A 83 -9.590 0.337 -4.675 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.333 -2.112 -3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.081 -1.104 -6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.944 -2.264 -5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.376 0.420 -3.942 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.573 0.375 -5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.063 -0.927 -3.988 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.791 -1.743 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.755 -0.160 -1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.908 1.174 -2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.097 1.245 -2.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.281 -0.432 -2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.873 0.209 -0.943 1.00 0.00 H new ATOM 914 N MET A 84 -8.526 -2.327 -6.164 1.00 0.00 N ATOM 915 CA MET A 84 -7.665 -3.220 -6.921 1.00 0.00 C ATOM 916 C MET A 84 -6.376 -3.519 -6.153 1.00 0.00 C ATOM 917 O MET A 84 -5.783 -4.585 -6.317 1.00 0.00 O ATOM 918 CB MET A 84 -7.320 -2.578 -8.266 1.00 0.00 C ATOM 919 CG MET A 84 -8.411 -2.859 -9.302 1.00 0.00 C ATOM 920 SD MET A 84 -8.818 -4.597 -9.304 1.00 0.00 S ATOM 921 CE MET A 84 -7.202 -5.295 -9.011 1.00 0.00 C ATOM 0 H MET A 84 -8.599 -1.383 -6.542 1.00 0.00 H new ATOM 0 HA MET A 84 -8.197 -4.158 -7.082 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.201 -1.502 -8.140 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.365 -2.964 -8.624 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.299 -2.269 -9.076 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.071 -2.556 -10.292 1.00 0.00 H new ATOM 0 HE1 MET A 84 -7.131 -6.267 -9.500 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.439 -4.629 -9.415 1.00 0.00 H new ATOM 0 HE3 MET A 84 -7.047 -5.416 -7.939 1.00 0.00 H new ATOM 929 N MET A 85 -5.978 -2.560 -5.330 1.00 0.00 N ATOM 930 CA MET A 85 -4.771 -2.707 -4.536 1.00 0.00 C ATOM 931 C MET A 85 -4.863 -3.927 -3.617 1.00 0.00 C ATOM 932 O MET A 85 -3.980 -4.782 -3.624 1.00 0.00 O ATOM 933 CB MET A 85 -4.557 -1.448 -3.694 1.00 0.00 C ATOM 934 CG MET A 85 -3.087 -1.023 -3.706 1.00 0.00 C ATOM 935 SD MET A 85 -2.649 -0.386 -5.315 1.00 0.00 S ATOM 936 CE MET A 85 -3.119 1.324 -5.110 1.00 0.00 C ATOM 0 H MET A 85 -6.471 -1.677 -5.196 1.00 0.00 H new ATOM 0 HA MET A 85 -3.929 -2.849 -5.213 1.00 0.00 H new ATOM 0 HB2 MET A 85 -5.176 -0.638 -4.080 1.00 0.00 H new ATOM 0 HB3 MET A 85 -4.877 -1.633 -2.669 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.914 -0.262 -2.945 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.452 -1.873 -3.457 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.942 1.559 -5.785 1.00 0.00 H new ATOM 0 HE2 MET A 85 -3.435 1.494 -4.081 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.268 1.965 -5.339 1.00 0.00 H new ATOM 944 N GLN A 86 -5.941 -3.967 -2.848 1.00 0.00 N ATOM 945 CA GLN A 86 -6.161 -5.068 -1.926 1.00 0.00 C ATOM 946 C GLN A 86 -6.510 -6.344 -2.695 1.00 0.00 C ATOM 947 O GLN A 86 -6.145 -7.443 -2.279 1.00 0.00 O ATOM 948 CB GLN A 86 -7.254 -4.724 -0.911 1.00 0.00 C ATOM 949 CG GLN A 86 -6.765 -4.955 0.521 1.00 0.00 C ATOM 950 CD GLN A 86 -7.587 -6.047 1.210 1.00 0.00 C ATOM 951 OE1 GLN A 86 -7.065 -7.035 1.701 1.00 0.00 O ATOM 952 NE2 GLN A 86 -8.896 -5.816 1.218 1.00 0.00 N ATOM 0 H GLN A 86 -6.671 -3.255 -2.844 1.00 0.00 H new ATOM 0 HA GLN A 86 -5.238 -5.242 -1.373 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.554 -3.683 -1.033 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -8.137 -5.335 -1.101 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -5.713 -5.240 0.509 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.838 -4.027 1.088 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.267 -4.968 0.789 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -9.530 -6.486 1.653 1.00 0.00 H new ATOM 959 N ILE A 87 -7.211 -6.156 -3.802 1.00 0.00 N ATOM 960 CA ILE A 87 -7.614 -7.278 -4.634 1.00 0.00 C ATOM 961 C ILE A 87 -6.367 -7.949 -5.213 1.00 0.00 C ATOM 962 O ILE A 87 -6.291 -9.176 -5.278 1.00 0.00 O ATOM 963 CB ILE A 87 -8.619 -6.825 -5.695 1.00 0.00 C ATOM 964 CG1 ILE A 87 -10.033 -6.751 -5.115 1.00 0.00 C ATOM 965 CG2 ILE A 87 -8.552 -7.724 -6.931 1.00 0.00 C ATOM 966 CD1 ILE A 87 -10.855 -5.666 -5.813 1.00 0.00 C ATOM 0 H ILE A 87 -7.511 -5.243 -4.143 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.133 -8.029 -4.038 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.350 -5.818 -6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -10.527 -7.716 -5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.981 -6.542 -4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.276 -7.381 -7.670 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.550 -7.682 -7.358 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.782 -8.751 -6.647 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.856 -5.634 -5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.371 -4.699 -5.678 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.925 -5.891 -6.877 1.00 0.00 H new ATOM 977 N ASN A 88 -5.420 -7.116 -5.621 1.00 0.00 N ATOM 978 CA ASN A 88 -4.181 -7.615 -6.192 1.00 0.00 C ATOM 979 C ASN A 88 -3.311 -8.204 -5.080 1.00 0.00 C ATOM 980 O ASN A 88 -2.699 -9.256 -5.257 1.00 0.00 O ATOM 981 CB ASN A 88 -3.392 -6.488 -6.863 1.00 0.00 C ATOM 982 CG ASN A 88 -3.968 -6.161 -8.242 1.00 0.00 C ATOM 983 OD1 ASN A 88 -4.152 -4.861 -8.457 1.00 0.00 O flip ATOM 984 ND2 ASN A 88 -4.229 -7.031 -9.057 1.00 0.00 N flip ATOM 0 H ASN A 88 -5.486 -6.100 -5.567 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.433 -8.372 -6.935 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.416 -5.598 -6.234 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.346 -6.780 -6.962 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.063 -8.011 -8.828 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.613 -6.778 -9.968 1.00 0.00 H new ATOM 990 N LEU A 89 -3.285 -7.500 -3.958 1.00 0.00 N ATOM 991 CA LEU A 89 -2.500 -7.941 -2.818 1.00 0.00 C ATOM 992 C LEU A 89 -3.034 -9.287 -2.325 1.00 0.00 C ATOM 993 O LEU A 89 -2.261 -10.207 -2.060 1.00 0.00 O ATOM 994 CB LEU A 89 -2.473 -6.858 -1.736 1.00 0.00 C ATOM 995 CG LEU A 89 -1.511 -5.693 -1.977 1.00 0.00 C ATOM 996 CD1 LEU A 89 -1.386 -4.818 -0.729 1.00 0.00 C ATOM 997 CD2 LEU A 89 -0.150 -6.197 -2.462 1.00 0.00 C ATOM 0 H LEU A 89 -3.794 -6.628 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.461 -8.097 -3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.480 -6.455 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.214 -7.327 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.924 -5.068 -2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.696 -3.998 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.364 -4.415 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.008 -5.417 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.515 -5.349 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.282 -6.857 -1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.276 -6.744 -3.396 1.00 0.00 H new ATOM 1008 N THR A 90 -4.353 -9.362 -2.220 1.00 0.00 N ATOM 1009 CA THR A 90 -5.000 -10.581 -1.763 1.00 0.00 C ATOM 1010 C THR A 90 -4.652 -11.747 -2.692 1.00 0.00 C ATOM 1011 O THR A 90 -4.733 -12.908 -2.292 1.00 0.00 O ATOM 1012 CB THR A 90 -6.502 -10.311 -1.665 1.00 0.00 C ATOM 1013 OG1 THR A 90 -6.600 -9.227 -0.746 1.00 0.00 O ATOM 1014 CG2 THR A 90 -7.258 -11.450 -0.979 1.00 0.00 C ATOM 0 H THR A 90 -4.991 -8.598 -2.444 1.00 0.00 H new ATOM 0 HA THR A 90 -4.643 -10.873 -0.775 1.00 0.00 H new ATOM 0 HB THR A 90 -6.909 -10.155 -2.664 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.802 -8.402 -1.234 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.320 -11.208 -0.935 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.119 -12.371 -1.545 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.875 -11.584 0.033 1.00 0.00 H new ATOM 1022 N GLY A 91 -4.272 -11.397 -3.912 1.00 0.00 N ATOM 1023 CA GLY A 91 -3.912 -12.401 -4.900 1.00 0.00 C ATOM 1024 C GLY A 91 -2.591 -13.081 -4.534 1.00 0.00 C ATOM 1025 O GLY A 91 -2.363 -14.236 -4.889 1.00 0.00 O ATOM 0 H GLY A 91 -4.205 -10.433 -4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.703 -13.148 -4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.826 -11.936 -5.882 1.00 0.00 H new ATOM 1029 N PHE A 92 -1.755 -12.335 -3.827 1.00 0.00 N ATOM 1030 CA PHE A 92 -0.462 -12.852 -3.408 1.00 0.00 C ATOM 1031 C PHE A 92 -0.418 -13.057 -1.893 1.00 0.00 C ATOM 1032 O PHE A 92 0.114 -14.056 -1.413 1.00 0.00 O ATOM 1033 CB PHE A 92 0.585 -11.807 -3.801 1.00 0.00 C ATOM 1034 CG PHE A 92 1.562 -12.280 -4.879 1.00 0.00 C ATOM 1035 CD1 PHE A 92 1.090 -12.844 -6.024 1.00 0.00 C ATOM 1036 CD2 PHE A 92 2.902 -12.138 -4.694 1.00 0.00 C ATOM 1037 CE1 PHE A 92 1.997 -13.283 -7.025 1.00 0.00 C ATOM 1038 CE2 PHE A 92 3.808 -12.577 -5.694 1.00 0.00 C ATOM 1039 CZ PHE A 92 3.336 -13.139 -6.839 1.00 0.00 C ATOM 0 H PHE A 92 -1.947 -11.377 -3.534 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.274 -13.815 -3.883 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.074 -10.912 -4.156 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.150 -11.522 -2.913 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.026 -12.958 -6.171 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.277 -11.691 -3.785 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.623 -13.731 -7.934 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.872 -12.465 -5.546 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.025 -13.471 -7.601 1.00 0.00 H new ATOM 1048 N LEU A 93 -0.985 -12.094 -1.180 1.00 0.00 N ATOM 1049 CA LEU A 93 -1.017 -12.156 0.271 1.00 0.00 C ATOM 1050 C LEU A 93 -1.963 -13.276 0.707 1.00 0.00 C ATOM 1051 O LEU A 93 -2.372 -14.102 -0.108 1.00 0.00 O ATOM 1052 CB LEU A 93 -1.370 -10.788 0.858 1.00 0.00 C ATOM 1053 CG LEU A 93 -0.546 -9.605 0.347 1.00 0.00 C ATOM 1054 CD1 LEU A 93 -0.742 -8.375 1.234 1.00 0.00 C ATOM 1055 CD2 LEU A 93 0.931 -9.984 0.212 1.00 0.00 C ATOM 0 H LEU A 93 -1.426 -11.266 -1.581 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.030 -12.400 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.422 -10.588 0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.260 -10.840 1.941 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.905 -9.344 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.145 -7.549 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.795 -8.092 1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.427 -8.606 2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.495 -9.126 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.319 -10.286 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.032 -10.810 -0.492 1.00 0.00 H new ATOM 1066 N ASN A 94 -2.283 -13.269 1.994 1.00 0.00 N ATOM 1067 CA ASN A 94 -3.173 -14.274 2.549 1.00 0.00 C ATOM 1068 C ASN A 94 -4.608 -13.744 2.530 1.00 0.00 C ATOM 1069 O ASN A 94 -5.558 -14.508 2.697 1.00 0.00 O ATOM 1070 CB ASN A 94 -2.806 -14.593 3.999 1.00 0.00 C ATOM 1071 CG ASN A 94 -1.517 -15.414 4.072 1.00 0.00 C ATOM 1072 OD1 ASN A 94 -1.521 -16.631 3.991 1.00 0.00 O ATOM 1073 ND2 ASN A 94 -0.418 -14.682 4.226 1.00 0.00 N ATOM 0 H ASN A 94 -1.941 -12.583 2.667 1.00 0.00 H new ATOM 0 HA ASN A 94 -3.080 -15.177 1.946 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -2.683 -13.666 4.559 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -3.619 -15.144 4.471 1.00 0.00 H new ATOM 0 HD21 ASN A 94 0.493 -15.136 4.283 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -0.486 -13.666 4.287 1.00 0.00 H new ATOM 1079 N GLY A 95 -4.721 -12.441 2.324 1.00 0.00 N ATOM 1080 CA GLY A 95 -6.025 -11.800 2.281 1.00 0.00 C ATOM 1081 C GLY A 95 -6.213 -10.859 3.473 1.00 0.00 C ATOM 1082 O GLY A 95 -6.582 -9.698 3.298 1.00 0.00 O ATOM 0 H GLY A 95 -3.931 -11.811 2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.129 -11.240 1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.808 -12.559 2.285 1.00 0.00 H new ATOM 1086 N LYS A 96 -5.951 -11.394 4.655 1.00 0.00 N ATOM 1087 CA LYS A 96 -6.087 -10.616 5.875 1.00 0.00 C ATOM 1088 C LYS A 96 -4.995 -9.545 5.917 1.00 0.00 C ATOM 1089 O LYS A 96 -5.236 -8.424 6.362 1.00 0.00 O ATOM 1090 CB LYS A 96 -6.093 -11.535 7.099 1.00 0.00 C ATOM 1091 CG LYS A 96 -7.074 -11.030 8.159 1.00 0.00 C ATOM 1092 CD LYS A 96 -7.996 -12.156 8.633 1.00 0.00 C ATOM 1093 CE LYS A 96 -8.350 -11.986 10.111 1.00 0.00 C ATOM 1094 NZ LYS A 96 -9.819 -11.990 10.296 1.00 0.00 N ATOM 0 H LYS A 96 -5.645 -12.357 4.795 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.045 -10.096 5.890 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.366 -12.546 6.798 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.090 -11.589 7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.522 -10.626 9.007 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.670 -10.215 7.749 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.907 -12.161 8.035 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.509 -13.119 8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.902 -12.791 10.693 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.933 -11.051 10.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.042 -11.874 11.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.239 -11.207 9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.209 -12.893 9.957 1.00 0.00 H new ATOM 1104 N ASN A 97 -3.817 -9.927 5.445 1.00 0.00 N ATOM 1105 CA ASN A 97 -2.688 -9.014 5.423 1.00 0.00 C ATOM 1106 C ASN A 97 -2.963 -7.894 4.417 1.00 0.00 C ATOM 1107 O ASN A 97 -2.503 -6.767 4.596 1.00 0.00 O ATOM 1108 CB ASN A 97 -1.407 -9.732 4.993 1.00 0.00 C ATOM 1109 CG ASN A 97 -0.447 -9.897 6.173 1.00 0.00 C ATOM 1110 OD1 ASN A 97 -0.063 -10.992 6.547 1.00 0.00 O ATOM 1111 ND2 ASN A 97 -0.083 -8.748 6.738 1.00 0.00 N ATOM 0 H ASN A 97 -3.621 -10.857 5.075 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.557 -8.615 6.429 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.655 -10.711 4.582 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.919 -9.167 4.199 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.555 -8.751 7.534 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.442 -7.865 6.375 1.00 0.00 H new ATOM 1117 N ALA A 98 -3.711 -8.244 3.382 1.00 0.00 N ATOM 1118 CA ALA A 98 -4.053 -7.282 2.347 1.00 0.00 C ATOM 1119 C ALA A 98 -4.944 -6.192 2.945 1.00 0.00 C ATOM 1120 O ALA A 98 -4.814 -5.020 2.595 1.00 0.00 O ATOM 1121 CB ALA A 98 -4.723 -8.007 1.178 1.00 0.00 C ATOM 0 H ALA A 98 -4.090 -9.180 3.237 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.156 -6.799 1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.980 -7.286 0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.038 -8.751 0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.629 -8.501 1.528 1.00 0.00 H new ATOM 1127 N ARG A 99 -5.827 -6.616 3.835 1.00 0.00 N ATOM 1128 CA ARG A 99 -6.739 -5.689 4.486 1.00 0.00 C ATOM 1129 C ARG A 99 -5.978 -4.798 5.469 1.00 0.00 C ATOM 1130 O ARG A 99 -6.244 -3.600 5.559 1.00 0.00 O ATOM 1131 CB ARG A 99 -7.843 -6.438 5.235 1.00 0.00 C ATOM 1132 CG ARG A 99 -8.703 -7.257 4.271 1.00 0.00 C ATOM 1133 CD ARG A 99 -10.176 -7.220 4.683 1.00 0.00 C ATOM 1134 NE ARG A 99 -10.352 -7.889 5.992 1.00 0.00 N ATOM 1135 CZ ARG A 99 -11.540 -8.248 6.498 1.00 0.00 C ATOM 1136 NH1 ARG A 99 -12.663 -8.003 5.809 1.00 0.00 N ATOM 1137 NH2 ARG A 99 -11.604 -8.850 7.693 1.00 0.00 N ATOM 0 H ARG A 99 -5.932 -7.589 4.122 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.195 -5.073 3.711 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.398 -7.097 5.981 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.470 -5.726 5.772 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -8.595 -6.866 3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.353 -8.289 4.253 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.519 -6.187 4.744 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.786 -7.715 3.927 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.517 -8.089 6.543 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.613 -7.543 4.900 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.567 -8.276 6.194 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.749 -9.035 8.217 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.508 -9.123 8.079 1.00 0.00 H new ATOM 1148 N GLU A 100 -5.047 -5.415 6.181 1.00 0.00 N ATOM 1149 CA GLU A 100 -4.246 -4.693 7.154 1.00 0.00 C ATOM 1150 C GLU A 100 -3.226 -3.800 6.443 1.00 0.00 C ATOM 1151 O GLU A 100 -2.946 -2.692 6.896 1.00 0.00 O ATOM 1152 CB GLU A 100 -3.552 -5.657 8.118 1.00 0.00 C ATOM 1153 CG GLU A 100 -4.574 -6.389 8.990 1.00 0.00 C ATOM 1154 CD GLU A 100 -4.437 -5.976 10.458 1.00 0.00 C ATOM 1155 OE1 GLU A 100 -3.563 -6.560 11.133 1.00 0.00 O ATOM 1156 OE2 GLU A 100 -5.211 -5.084 10.870 1.00 0.00 O ATOM 0 H GLU A 100 -4.829 -6.408 6.103 1.00 0.00 H new ATOM 0 HA GLU A 100 -4.909 -4.059 7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.965 -6.381 7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.856 -5.106 8.751 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -5.582 -6.168 8.639 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -4.433 -7.466 8.896 1.00 0.00 H new ATOM 1161 N PHE A 101 -2.700 -4.317 5.342 1.00 0.00 N ATOM 1162 CA PHE A 101 -1.718 -3.580 4.566 1.00 0.00 C ATOM 1163 C PHE A 101 -2.321 -2.292 3.999 1.00 0.00 C ATOM 1164 O PHE A 101 -1.736 -1.219 4.133 1.00 0.00 O ATOM 1165 CB PHE A 101 -1.295 -4.484 3.406 1.00 0.00 C ATOM 1166 CG PHE A 101 -0.409 -3.792 2.369 1.00 0.00 C ATOM 1167 CD1 PHE A 101 -0.974 -3.100 1.343 1.00 0.00 C ATOM 1168 CD2 PHE A 101 0.945 -3.870 2.472 1.00 0.00 C ATOM 1169 CE1 PHE A 101 -0.152 -2.458 0.381 1.00 0.00 C ATOM 1170 CE2 PHE A 101 1.768 -3.227 1.509 1.00 0.00 C ATOM 1171 CZ PHE A 101 1.203 -2.535 0.484 1.00 0.00 C ATOM 0 H PHE A 101 -2.935 -5.237 4.969 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.873 -3.307 5.198 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.762 -5.346 3.807 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.188 -4.864 2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.049 -3.039 1.261 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.394 -4.420 3.285 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.601 -1.908 -0.433 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.843 -3.288 1.591 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.829 -2.047 -0.248 1.00 0.00 H new ATOM 1180 N MET A 102 -3.482 -2.443 3.379 1.00 0.00 N ATOM 1181 CA MET A 102 -4.169 -1.305 2.792 1.00 0.00 C ATOM 1182 C MET A 102 -4.633 -0.328 3.873 1.00 0.00 C ATOM 1183 O MET A 102 -4.645 0.883 3.657 1.00 0.00 O ATOM 1184 CB MET A 102 -5.379 -1.796 1.994 1.00 0.00 C ATOM 1185 CG MET A 102 -4.956 -2.312 0.618 1.00 0.00 C ATOM 1186 SD MET A 102 -4.133 -1.016 -0.293 1.00 0.00 S ATOM 1187 CE MET A 102 -5.528 0.032 -0.670 1.00 0.00 C ATOM 0 H MET A 102 -3.964 -3.335 3.270 1.00 0.00 H new ATOM 0 HA MET A 102 -3.474 -0.785 2.133 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.884 -2.590 2.544 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.096 -0.983 1.877 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.291 -3.168 0.730 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.830 -2.658 0.066 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.250 0.740 -1.451 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.361 -0.581 -1.015 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.826 0.577 0.226 1.00 0.00 H new ATOM 1195 N GLY A 103 -5.003 -0.890 5.015 1.00 0.00 N ATOM 1196 CA GLY A 103 -5.466 -0.082 6.131 1.00 0.00 C ATOM 1197 C GLY A 103 -4.289 0.540 6.884 1.00 0.00 C ATOM 1198 O GLY A 103 -4.459 1.074 7.978 1.00 0.00 O ATOM 0 H GLY A 103 -4.992 -1.895 5.191 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.125 0.705 5.765 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.053 -0.698 6.812 1.00 0.00 H new ATOM 1202 N GLU A 104 -3.119 0.449 6.267 1.00 0.00 N ATOM 1203 CA GLU A 104 -1.913 0.996 6.866 1.00 0.00 C ATOM 1204 C GLU A 104 -1.178 1.884 5.860 1.00 0.00 C ATOM 1205 O GLU A 104 -0.496 2.832 6.248 1.00 0.00 O ATOM 1206 CB GLU A 104 -1.002 -0.120 7.381 1.00 0.00 C ATOM 1207 CG GLU A 104 -1.550 -0.721 8.677 1.00 0.00 C ATOM 1208 CD GLU A 104 -0.533 -0.592 9.813 1.00 0.00 C ATOM 1209 OE1 GLU A 104 0.459 -1.351 9.776 1.00 0.00 O ATOM 1210 OE2 GLU A 104 -0.771 0.262 10.694 1.00 0.00 O ATOM 0 H GLU A 104 -2.981 0.005 5.359 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.200 1.609 7.721 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.912 -0.899 6.624 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.000 0.274 7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.476 -0.216 8.953 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.794 -1.772 8.520 1.00 0.00 H new ATOM 1215 N LEU A 105 -1.341 1.546 4.590 1.00 0.00 N ATOM 1216 CA LEU A 105 -0.701 2.301 3.527 1.00 0.00 C ATOM 1217 C LEU A 105 -1.692 3.321 2.963 1.00 0.00 C ATOM 1218 O LEU A 105 -1.309 4.436 2.610 1.00 0.00 O ATOM 1219 CB LEU A 105 -0.123 1.356 2.471 1.00 0.00 C ATOM 1220 CG LEU A 105 -0.503 1.660 1.020 1.00 0.00 C ATOM 1221 CD1 LEU A 105 -1.981 1.360 0.766 1.00 0.00 C ATOM 1222 CD2 LEU A 105 -0.137 3.098 0.647 1.00 0.00 C ATOM 0 H LEU A 105 -1.907 0.759 4.273 1.00 0.00 H new ATOM 0 HA LEU A 105 0.148 2.863 3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.964 1.373 2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.444 0.341 2.705 1.00 0.00 H new ATOM 0 HG LEU A 105 0.075 1.002 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.225 1.585 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.178 0.307 0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.595 1.975 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.418 3.288 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.669 3.790 1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.937 3.242 0.764 1.00 0.00 H new ATOM 1233 N TRP A 106 -2.948 2.904 2.896 1.00 0.00 N ATOM 1234 CA TRP A 106 -3.997 3.767 2.382 1.00 0.00 C ATOM 1235 C TRP A 106 -4.084 4.996 3.287 1.00 0.00 C ATOM 1236 O TRP A 106 -4.215 6.120 2.804 1.00 0.00 O ATOM 1237 CB TRP A 106 -5.323 3.011 2.270 1.00 0.00 C ATOM 1238 CG TRP A 106 -6.334 3.664 1.326 1.00 0.00 C ATOM 1239 CD1 TRP A 106 -7.535 4.176 1.629 1.00 0.00 C ATOM 1240 CD2 TRP A 106 -6.182 3.857 -0.096 1.00 0.00 C ATOM 1241 NE1 TRP A 106 -8.166 4.681 0.510 1.00 0.00 N ATOM 1242 CE2 TRP A 106 -7.317 4.482 -0.572 1.00 0.00 C ATOM 1243 CE3 TRP A 106 -5.120 3.514 -0.953 1.00 0.00 C ATOM 1244 CZ2 TRP A 106 -7.499 4.818 -1.919 1.00 0.00 C ATOM 1245 CZ3 TRP A 106 -5.318 3.858 -2.294 1.00 0.00 C ATOM 1246 CH2 TRP A 106 -6.455 4.486 -2.790 1.00 0.00 C ATOM 0 H TRP A 106 -3.262 1.979 3.189 1.00 0.00 H new ATOM 0 HA TRP A 106 -3.764 4.097 1.370 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -5.123 1.996 1.926 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -5.768 2.929 3.262 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -7.956 4.191 2.623 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -9.086 5.120 0.482 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -4.223 3.024 -0.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -8.397 5.307 -2.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -4.531 3.619 -2.994 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -6.532 4.716 -3.842 1.00 0.00 H new ATOM 1256 N PRO A 107 -4.005 4.737 4.620 1.00 0.00 N ATOM 1257 CA PRO A 107 -4.074 5.809 5.597 1.00 0.00 C ATOM 1258 C PRO A 107 -2.763 6.597 5.639 1.00 0.00 C ATOM 1259 O PRO A 107 -2.757 7.782 5.972 1.00 0.00 O ATOM 1260 CB PRO A 107 -4.395 5.122 6.914 1.00 0.00 C ATOM 1261 CG PRO A 107 -4.037 3.658 6.719 1.00 0.00 C ATOM 1262 CD PRO A 107 -3.850 3.419 5.229 1.00 0.00 C ATOM 0 HA PRO A 107 -4.835 6.551 5.354 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -3.822 5.559 7.732 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.449 5.236 7.167 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -3.125 3.412 7.263 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -4.825 3.016 7.113 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.868 2.997 5.016 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.589 2.716 4.845 1.00 0.00 H new ATOM 1267 N LEU A 108 -1.683 5.909 5.295 1.00 0.00 N ATOM 1268 CA LEU A 108 -0.370 6.529 5.289 1.00 0.00 C ATOM 1269 C LEU A 108 -0.385 7.734 4.346 1.00 0.00 C ATOM 1270 O LEU A 108 0.183 8.780 4.659 1.00 0.00 O ATOM 1271 CB LEU A 108 0.708 5.498 4.952 1.00 0.00 C ATOM 1272 CG LEU A 108 1.872 5.397 5.940 1.00 0.00 C ATOM 1273 CD1 LEU A 108 1.807 4.088 6.730 1.00 0.00 C ATOM 1274 CD2 LEU A 108 3.214 5.569 5.226 1.00 0.00 C ATOM 0 H LEU A 108 -1.692 4.927 5.018 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.121 6.903 6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.235 4.519 4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.112 5.733 3.967 1.00 0.00 H new ATOM 0 HG LEU A 108 1.783 6.212 6.658 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.645 4.041 7.425 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.871 4.045 7.287 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.859 3.245 6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.024 5.493 5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 108 3.327 4.790 4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.248 6.547 4.745 1.00 0.00 H new ATOM 1285 N LEU A 109 -1.040 7.549 3.210 1.00 0.00 N ATOM 1286 CA LEU A 109 -1.137 8.607 2.219 1.00 0.00 C ATOM 1287 C LEU A 109 -2.111 9.676 2.715 1.00 0.00 C ATOM 1288 O LEU A 109 -1.937 10.861 2.430 1.00 0.00 O ATOM 1289 CB LEU A 109 -1.502 8.029 0.850 1.00 0.00 C ATOM 1290 CG LEU A 109 -0.769 6.748 0.446 1.00 0.00 C ATOM 1291 CD1 LEU A 109 -1.543 5.992 -0.636 1.00 0.00 C ATOM 1292 CD2 LEU A 109 0.668 7.050 0.018 1.00 0.00 C ATOM 0 H LEU A 109 -1.510 6.681 2.953 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.171 9.093 2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.574 7.831 0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.308 8.789 0.093 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.714 6.096 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.001 5.086 -0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.530 5.725 -0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.650 6.626 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.166 6.122 -0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.659 7.730 -0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.205 7.513 0.846 1.00 0.00 H new ATOM 1303 N LEU A 110 -3.117 9.222 3.448 1.00 0.00 N ATOM 1304 CA LEU A 110 -4.120 10.124 3.986 1.00 0.00 C ATOM 1305 C LEU A 110 -3.428 11.231 4.784 1.00 0.00 C ATOM 1306 O LEU A 110 -3.773 12.404 4.651 1.00 0.00 O ATOM 1307 CB LEU A 110 -5.164 9.347 4.790 1.00 0.00 C ATOM 1308 CG LEU A 110 -6.371 8.832 4.003 1.00 0.00 C ATOM 1309 CD1 LEU A 110 -6.043 8.713 2.513 1.00 0.00 C ATOM 1310 CD2 LEU A 110 -6.882 7.512 4.585 1.00 0.00 C ATOM 0 H LEU A 110 -3.259 8.239 3.682 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.669 10.608 3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.672 8.495 5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.526 9.989 5.593 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.177 9.559 4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.917 8.345 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.763 9.691 2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.215 8.018 2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.740 7.168 4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.091 6.764 4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.180 7.663 5.623 1.00 0.00 H new ATOM 1321 N SER A 111 -2.464 10.819 5.594 1.00 0.00 N ATOM 1322 CA SER A 111 -1.721 11.761 6.413 1.00 0.00 C ATOM 1323 C SER A 111 -0.680 12.489 5.559 1.00 0.00 C ATOM 1324 O SER A 111 -0.408 13.668 5.777 1.00 0.00 O ATOM 1325 CB SER A 111 -1.044 11.054 7.588 1.00 0.00 C ATOM 1326 OG SER A 111 -1.478 11.570 8.844 1.00 0.00 O ATOM 0 H SER A 111 -2.180 9.845 5.701 1.00 0.00 H new ATOM 0 HA SER A 111 -2.423 12.490 6.819 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.259 9.986 7.541 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.037 11.166 7.504 1.00 0.00 H new ATOM 0 HG SER A 111 -1.024 11.091 9.569 1.00 0.00 H new ATOM 1331 N ALA A 112 -0.126 11.755 4.606 1.00 0.00 N ATOM 1332 CA ALA A 112 0.879 12.315 3.719 1.00 0.00 C ATOM 1333 C ALA A 112 0.251 13.435 2.885 1.00 0.00 C ATOM 1334 O ALA A 112 0.830 14.511 2.747 1.00 0.00 O ATOM 1335 CB ALA A 112 1.470 11.203 2.850 1.00 0.00 C ATOM 0 H ALA A 112 -0.354 10.777 4.428 1.00 0.00 H new ATOM 0 HA ALA A 112 1.697 12.750 4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.224 11.623 2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.929 10.448 3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.678 10.745 2.258 1.00 0.00 H new ATOM 1341 N GLN A 113 -0.926 13.142 2.352 1.00 0.00 N ATOM 1342 CA GLN A 113 -1.640 14.111 1.537 1.00 0.00 C ATOM 1343 C GLN A 113 -1.989 15.348 2.366 1.00 0.00 C ATOM 1344 O GLN A 113 -2.317 16.397 1.813 1.00 0.00 O ATOM 1345 CB GLN A 113 -2.896 13.490 0.923 1.00 0.00 C ATOM 1346 CG GLN A 113 -3.920 13.140 2.004 1.00 0.00 C ATOM 1347 CD GLN A 113 -5.317 12.974 1.403 1.00 0.00 C ATOM 1348 OE1 GLN A 113 -5.431 11.935 0.579 1.00 0.00 O flip ATOM 1349 NE2 GLN A 113 -6.231 13.737 1.669 1.00 0.00 N flip ATOM 0 H GLN A 113 -1.403 12.248 2.468 1.00 0.00 H new ATOM 0 HA GLN A 113 -0.989 14.419 0.719 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -3.338 14.186 0.210 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -2.627 12.592 0.367 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -3.624 12.219 2.505 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -3.937 13.924 2.761 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -6.076 14.515 2.310 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -7.151 13.597 1.251 1.00 0.00 H new ATOM 1356 N GLU A 114 -1.905 15.184 3.678 1.00 0.00 N ATOM 1357 CA GLU A 114 -2.208 16.275 4.589 1.00 0.00 C ATOM 1358 C GLU A 114 -0.947 17.093 4.875 1.00 0.00 C ATOM 1359 O GLU A 114 -1.023 18.175 5.457 1.00 0.00 O ATOM 1360 CB GLU A 114 -2.830 15.752 5.885 1.00 0.00 C ATOM 1361 CG GLU A 114 -4.213 15.152 5.627 1.00 0.00 C ATOM 1362 CD GLU A 114 -5.295 15.928 6.379 1.00 0.00 C ATOM 1363 OE1 GLU A 114 -5.172 16.017 7.620 1.00 0.00 O ATOM 1364 OE2 GLU A 114 -6.222 16.415 5.696 1.00 0.00 O ATOM 0 H GLU A 114 -1.632 14.312 4.132 1.00 0.00 H new ATOM 0 HA GLU A 114 -2.940 16.927 4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.179 14.997 6.326 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -2.911 16.564 6.607 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.426 15.167 4.558 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -4.225 14.108 5.940 1.00 0.00 H new ATOM 1369 N ASN A 115 0.183 16.546 4.454 1.00 0.00 N ATOM 1370 CA ASN A 115 1.458 17.210 4.659 1.00 0.00 C ATOM 1371 C ASN A 115 1.731 18.153 3.485 1.00 0.00 C ATOM 1372 O ASN A 115 0.830 18.453 2.703 1.00 0.00 O ATOM 1373 CB ASN A 115 2.603 16.197 4.727 1.00 0.00 C ATOM 1374 CG ASN A 115 3.296 16.244 6.091 1.00 0.00 C ATOM 1375 OD1 ASN A 115 2.623 15.632 7.060 1.00 0.00 O flip ATOM 1376 ND2 ASN A 115 4.370 16.799 6.251 1.00 0.00 N flip ATOM 0 H ASN A 115 0.242 15.649 3.971 1.00 0.00 H new ATOM 0 HA ASN A 115 1.405 17.758 5.600 1.00 0.00 H new ATOM 0 HB2 ASN A 115 2.217 15.194 4.545 1.00 0.00 H new ATOM 0 HB3 ASN A 115 3.327 16.407 3.940 1.00 0.00 H new ATOM 0 HD21 ASN A 115 4.833 17.250 5.462 1.00 0.00 H new ATOM 0 HD22 ASN A 115 4.805 16.812 7.173 1.00 0.00 H new ATOM 1382 N ILE A 116 2.978 18.594 3.400 1.00 0.00 N ATOM 1383 CA ILE A 116 3.380 19.497 2.334 1.00 0.00 C ATOM 1384 C ILE A 116 4.294 18.752 1.359 1.00 0.00 C ATOM 1385 O ILE A 116 4.153 18.887 0.144 1.00 0.00 O ATOM 1386 CB ILE A 116 4.006 20.766 2.915 1.00 0.00 C ATOM 1387 CG1 ILE A 116 3.797 21.959 1.980 1.00 0.00 C ATOM 1388 CG2 ILE A 116 5.484 20.548 3.244 1.00 0.00 C ATOM 1389 CD1 ILE A 116 4.929 22.057 0.955 1.00 0.00 C ATOM 0 H ILE A 116 3.722 18.343 4.051 1.00 0.00 H new ATOM 0 HA ILE A 116 2.510 19.829 1.767 1.00 0.00 H new ATOM 0 HB ILE A 116 3.499 20.998 3.851 1.00 0.00 H new ATOM 0 HG12 ILE A 116 2.842 21.858 1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.749 22.879 2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 116 5.904 21.466 3.655 1.00 0.00 H new ATOM 0 HG22 ILE A 116 5.579 19.745 3.975 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.023 20.277 2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.756 22.913 0.303 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.880 22.182 1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 116 4.959 21.146 0.357 1.00 0.00 H new ATOM 1400 N ALA A 117 5.210 17.983 1.927 1.00 0.00 N ATOM 1401 CA ALA A 117 6.147 17.216 1.122 1.00 0.00 C ATOM 1402 C ALA A 117 5.517 15.870 0.759 1.00 0.00 C ATOM 1403 O ALA A 117 6.182 15.002 0.194 1.00 0.00 O ATOM 1404 CB ALA A 117 7.464 17.057 1.884 1.00 0.00 C ATOM 0 H ALA A 117 5.324 17.874 2.935 1.00 0.00 H new ATOM 0 HA ALA A 117 6.370 17.737 0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 117 8.166 16.482 1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.885 18.041 2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 117 7.280 16.535 2.823 1.00 0.00 H new ATOM 1410 N GLY A 118 4.244 15.738 1.096 1.00 0.00 N ATOM 1411 CA GLY A 118 3.517 14.512 0.813 1.00 0.00 C ATOM 1412 C GLY A 118 4.142 13.322 1.545 1.00 0.00 C ATOM 1413 O GLY A 118 4.235 12.228 0.991 1.00 0.00 O ATOM 0 H GLY A 118 3.696 16.460 1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 118 2.476 14.624 1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.518 14.324 -0.261 1.00 0.00 H new ATOM 1417 N ILE A 119 4.554 13.577 2.778 1.00 0.00 N ATOM 1418 CA ILE A 119 5.168 12.541 3.591 1.00 0.00 C ATOM 1419 C ILE A 119 4.304 12.291 4.828 1.00 0.00 C ATOM 1420 O ILE A 119 3.810 13.234 5.446 1.00 0.00 O ATOM 1421 CB ILE A 119 6.618 12.905 3.918 1.00 0.00 C ATOM 1422 CG1 ILE A 119 7.579 12.302 2.892 1.00 0.00 C ATOM 1423 CG2 ILE A 119 6.976 12.497 5.348 1.00 0.00 C ATOM 1424 CD1 ILE A 119 7.443 12.998 1.536 1.00 0.00 C ATOM 0 H ILE A 119 4.475 14.486 3.234 1.00 0.00 H new ATOM 0 HA ILE A 119 5.216 11.602 3.039 1.00 0.00 H new ATOM 0 HB ILE A 119 6.721 13.988 3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 119 8.604 12.394 3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.375 11.237 2.780 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.012 12.767 5.555 1.00 0.00 H new ATOM 0 HG22 ILE A 119 6.320 13.013 6.049 1.00 0.00 H new ATOM 0 HG23 ILE A 119 6.852 11.420 5.461 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.138 12.550 0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 119 6.423 12.883 1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 119 7.671 14.058 1.647 1.00 0.00 H new ATOM 1435 N PRO A 120 4.141 10.983 5.160 1.00 0.00 N ATOM 1436 CA PRO A 120 3.344 10.596 6.312 1.00 0.00 C ATOM 1437 C PRO A 120 4.096 10.869 7.616 1.00 0.00 C ATOM 1438 O PRO A 120 5.323 10.787 7.658 1.00 0.00 O ATOM 1439 CB PRO A 120 3.036 9.123 6.102 1.00 0.00 C ATOM 1440 CG PRO A 120 4.053 8.625 5.087 1.00 0.00 C ATOM 1441 CD PRO A 120 4.709 9.840 4.451 1.00 0.00 C ATOM 0 HA PRO A 120 2.423 11.173 6.398 1.00 0.00 H new ATOM 0 HB2 PRO A 120 3.115 8.570 7.038 1.00 0.00 H new ATOM 0 HB3 PRO A 120 2.019 8.985 5.736 1.00 0.00 H new ATOM 0 HG2 PRO A 120 4.801 7.997 5.572 1.00 0.00 H new ATOM 0 HG3 PRO A 120 3.566 8.012 4.328 1.00 0.00 H new ATOM 0 HD2 PRO A 120 5.793 9.806 4.559 1.00 0.00 H new ATOM 0 HD3 PRO A 120 4.496 9.891 3.383 1.00 0.00 H new ATOM 1446 N SER A 121 3.330 11.189 8.648 1.00 0.00 N ATOM 1447 CA SER A 121 3.909 11.476 9.950 1.00 0.00 C ATOM 1448 C SER A 121 4.711 10.270 10.442 1.00 0.00 C ATOM 1449 O SER A 121 5.529 10.393 11.353 1.00 0.00 O ATOM 1450 CB SER A 121 2.826 11.842 10.966 1.00 0.00 C ATOM 1451 OG SER A 121 2.128 10.694 11.442 1.00 0.00 O ATOM 0 H SER A 121 2.313 11.256 8.609 1.00 0.00 H new ATOM 0 HA SER A 121 4.576 12.332 9.847 1.00 0.00 H new ATOM 0 HB2 SER A 121 3.281 12.364 11.808 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.118 12.532 10.508 1.00 0.00 H new ATOM 0 HG SER A 121 1.447 10.971 12.090 1.00 0.00 H new ATOM 1456 N ALA A 122 4.449 9.131 9.818 1.00 0.00 N ATOM 1457 CA ALA A 122 5.137 7.903 10.182 1.00 0.00 C ATOM 1458 C ALA A 122 6.643 8.089 9.982 1.00 0.00 C ATOM 1459 O ALA A 122 7.446 7.453 10.663 1.00 0.00 O ATOM 1460 CB ALA A 122 4.579 6.741 9.357 1.00 0.00 C ATOM 0 H ALA A 122 3.770 9.032 9.063 1.00 0.00 H new ATOM 0 HA ALA A 122 4.970 7.667 11.233 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.095 5.820 9.630 1.00 0.00 H new ATOM 0 HB2 ALA A 122 3.513 6.632 9.556 1.00 0.00 H new ATOM 0 HB3 ALA A 122 4.731 6.942 8.296 1.00 0.00 H new ATOM 1466 N PHE A 123 6.979 8.962 9.043 1.00 0.00 N ATOM 1467 CA PHE A 123 8.375 9.239 8.745 1.00 0.00 C ATOM 1468 C PHE A 123 8.827 10.544 9.404 1.00 0.00 C ATOM 1469 O PHE A 123 9.937 10.626 9.927 1.00 0.00 O ATOM 1470 CB PHE A 123 8.487 9.383 7.226 1.00 0.00 C ATOM 1471 CG PHE A 123 7.915 8.197 6.445 1.00 0.00 C ATOM 1472 CD1 PHE A 123 7.696 7.011 7.073 1.00 0.00 C ATOM 1473 CD2 PHE A 123 7.628 8.329 5.123 1.00 0.00 C ATOM 1474 CE1 PHE A 123 7.166 5.911 6.349 1.00 0.00 C ATOM 1475 CE2 PHE A 123 7.097 7.229 4.398 1.00 0.00 C ATOM 1476 CZ PHE A 123 6.878 6.043 5.026 1.00 0.00 C ATOM 0 H PHE A 123 6.310 9.486 8.479 1.00 0.00 H new ATOM 0 HA PHE A 123 9.004 8.434 9.125 1.00 0.00 H new ATOM 0 HB2 PHE A 123 7.969 10.291 6.918 1.00 0.00 H new ATOM 0 HB3 PHE A 123 9.536 9.508 6.959 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.925 6.906 8.123 1.00 0.00 H new ATOM 0 HD2 PHE A 123 7.804 9.270 4.624 1.00 0.00 H new ATOM 0 HE1 PHE A 123 6.991 4.969 6.848 1.00 0.00 H new ATOM 0 HE2 PHE A 123 6.867 7.335 3.348 1.00 0.00 H new ATOM 0 HZ PHE A 123 6.476 5.206 4.475 1.00 0.00 H new ATOM 1485 N LEU A 124 7.944 11.531 9.355 1.00 0.00 N ATOM 1486 CA LEU A 124 8.239 12.828 9.942 1.00 0.00 C ATOM 1487 C LEU A 124 8.796 12.631 11.353 1.00 0.00 C ATOM 1488 O LEU A 124 9.960 12.932 11.612 1.00 0.00 O ATOM 1489 CB LEU A 124 7.006 13.733 9.888 1.00 0.00 C ATOM 1490 CG LEU A 124 6.417 13.981 8.497 1.00 0.00 C ATOM 1491 CD1 LEU A 124 5.126 14.796 8.587 1.00 0.00 C ATOM 1492 CD2 LEU A 124 7.446 14.637 7.574 1.00 0.00 C ATOM 0 H LEU A 124 7.025 11.459 8.918 1.00 0.00 H new ATOM 0 HA LEU A 124 9.008 13.341 9.365 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.231 13.295 10.517 1.00 0.00 H new ATOM 0 HB3 LEU A 124 7.267 14.696 10.328 1.00 0.00 H new ATOM 0 HG LEU A 124 6.160 13.017 8.058 1.00 0.00 H new ATOM 0 HD11 LEU A 124 4.728 14.958 7.585 1.00 0.00 H new ATOM 0 HD12 LEU A 124 4.394 14.253 9.185 1.00 0.00 H new ATOM 0 HD13 LEU A 124 5.335 15.758 9.055 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.001 14.802 6.593 1.00 0.00 H new ATOM 0 HD22 LEU A 124 7.757 15.592 7.997 1.00 0.00 H new ATOM 0 HD23 LEU A 124 8.314 13.985 7.474 1.00 0.00 H new ATOM 1503 N GLU A 125 7.938 12.126 12.227 1.00 0.00 N ATOM 1504 CA GLU A 125 8.331 11.884 13.605 1.00 0.00 C ATOM 1505 C GLU A 125 9.727 11.261 13.659 1.00 0.00 C ATOM 1506 O GLU A 125 10.624 11.795 14.309 1.00 0.00 O ATOM 1507 CB GLU A 125 7.307 10.999 14.319 1.00 0.00 C ATOM 1508 CG GLU A 125 7.675 10.814 15.793 1.00 0.00 C ATOM 1509 CD GLU A 125 7.339 12.067 16.604 1.00 0.00 C ATOM 1510 OE1 GLU A 125 6.146 12.216 16.948 1.00 0.00 O ATOM 1511 OE2 GLU A 125 8.281 12.847 16.862 1.00 0.00 O ATOM 0 H GLU A 125 6.973 11.878 12.008 1.00 0.00 H new ATOM 0 HA GLU A 125 8.363 12.841 14.126 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.317 11.447 14.241 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.256 10.027 13.828 1.00 0.00 H new ATOM 0 HG2 GLU A 125 7.138 9.958 16.201 1.00 0.00 H new ATOM 0 HG3 GLU A 125 8.739 10.594 15.881 1.00 0.00 H new