USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 720 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 LYS NZ :NH3+ 146:sc= 0.919 (180deg=0) USER MOD Set 1.2: A 87 THR OG1 : rot 175:sc= 0.807 USER MOD Set 2.1: A 34 LYS NZ :NH3+ -125:sc= 1.27 (180deg=0) USER MOD Set 2.2: A 70 GLN : amide:sc= 0.669 K(o=1.9,f=-9.2!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.48 X(o=-1.5,f=-1.9!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.0595 K(o=0.06,f=-4.4!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.726 K(o=-0.73,f=-0.045) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.986 X(o=-0.99,f=-1.2) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -2.71! X(o=-2.7!,f=-2.4) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00967) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=-0.14) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 73 ASN : amide:sc= -0.0318 X(o=-0.032,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.105 K(o=-0.11,f=-0.91) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 161:sc= 0.341 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0615 USER MOD Single : A 92 ASN : amide:sc= -0.0567 X(o=-0.057,f=-0.064) USER MOD Single : A 100 ASN : amide:sc= 0.705 K(o=0.71,f=-6.3!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N VAL A 11 -21.241 2.277 7.511 1.00 0.00 N ATOM 119 CA VAL A 11 -20.430 2.098 6.313 1.00 0.00 C ATOM 120 C VAL A 11 -20.290 0.621 5.960 1.00 0.00 C ATOM 121 O VAL A 11 -20.650 -0.254 6.747 1.00 0.00 O ATOM 122 CB VAL A 11 -19.027 2.708 6.489 1.00 0.00 C ATOM 123 CG1 VAL A 11 -19.124 4.199 6.772 1.00 0.00 C ATOM 124 CG2 VAL A 11 -18.271 1.994 7.600 1.00 0.00 C ATOM 0 HA VAL A 11 -20.944 2.615 5.503 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.473 2.575 5.560 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.123 4.612 6.893 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -19.623 4.696 5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.696 4.359 7.686 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -17.282 2.438 7.711 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.820 2.094 8.536 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -18.169 0.938 7.350 1.00 0.00 H new ATOM 134 N LYS A 12 -19.763 0.351 4.771 1.00 0.00 N ATOM 135 CA LYS A 12 -19.572 -1.020 4.312 1.00 0.00 C ATOM 136 C LYS A 12 -18.157 -1.503 4.615 1.00 0.00 C ATOM 137 O LYS A 12 -17.219 -0.709 4.671 1.00 0.00 O ATOM 138 CB LYS A 12 -19.846 -1.120 2.810 1.00 0.00 C ATOM 139 CG LYS A 12 -21.302 -1.393 2.474 1.00 0.00 C ATOM 140 CD LYS A 12 -21.614 -1.049 1.027 1.00 0.00 C ATOM 141 CE LYS A 12 -21.342 -2.226 0.103 1.00 0.00 C ATOM 142 NZ LYS A 12 -22.136 -2.140 -1.154 1.00 0.00 N ATOM 0 H LYS A 12 -19.460 1.064 4.107 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.277 -1.657 4.846 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.539 -0.190 2.331 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -19.230 -1.914 2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.528 -2.444 2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.944 -0.810 3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -22.659 -0.751 0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -21.012 -0.195 0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -20.280 -2.259 -0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -21.580 -3.156 0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -21.922 -2.960 -1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -23.150 -2.134 -0.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -21.891 -1.265 -1.660 1.00 0.00 H new ATOM 156 N GLU A 13 -18.012 -2.810 4.808 1.00 0.00 N ATOM 157 CA GLU A 13 -16.710 -3.398 5.104 1.00 0.00 C ATOM 158 C GLU A 13 -15.982 -3.783 3.820 1.00 0.00 C ATOM 159 O GLU A 13 -16.356 -4.743 3.145 1.00 0.00 O ATOM 160 CB GLU A 13 -16.873 -4.628 6.000 1.00 0.00 C ATOM 161 CG GLU A 13 -17.501 -4.320 7.349 1.00 0.00 C ATOM 162 CD GLU A 13 -17.721 -5.564 8.187 1.00 0.00 C ATOM 163 OE1 GLU A 13 -18.447 -6.470 7.727 1.00 0.00 O ATOM 164 OE2 GLU A 13 -17.166 -5.631 9.305 1.00 0.00 O ATOM 0 H GLU A 13 -18.779 -3.481 4.765 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.114 -2.652 5.629 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.487 -5.365 5.483 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.895 -5.083 6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.860 -3.628 7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -18.455 -3.817 7.195 1.00 0.00 H new ATOM 171 N LEU A 14 -14.941 -3.028 3.488 1.00 0.00 N ATOM 172 CA LEU A 14 -14.159 -3.289 2.284 1.00 0.00 C ATOM 173 C LEU A 14 -12.909 -4.098 2.611 1.00 0.00 C ATOM 174 O LEU A 14 -12.234 -3.844 3.610 1.00 0.00 O ATOM 175 CB LEU A 14 -13.767 -1.972 1.612 1.00 0.00 C ATOM 176 CG LEU A 14 -14.888 -0.947 1.437 1.00 0.00 C ATOM 177 CD1 LEU A 14 -14.313 0.424 1.117 1.00 0.00 C ATOM 178 CD2 LEU A 14 -15.852 -1.391 0.346 1.00 0.00 C ATOM 0 H LEU A 14 -14.618 -2.230 4.035 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.776 -3.870 1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -12.970 -1.512 2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.352 -2.198 0.630 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.439 -0.877 2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.126 1.140 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.664 0.746 1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.736 0.370 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.643 -0.649 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.314 -1.491 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.290 -2.352 0.617 1.00 0.00 H new ATOM 190 N THR A 15 -12.603 -5.075 1.762 1.00 0.00 N ATOM 191 CA THR A 15 -11.433 -5.921 1.960 1.00 0.00 C ATOM 192 C THR A 15 -10.229 -5.383 1.196 1.00 0.00 C ATOM 193 O THR A 15 -10.012 -5.731 0.035 1.00 0.00 O ATOM 194 CB THR A 15 -11.705 -7.370 1.513 1.00 0.00 C ATOM 195 OG1 THR A 15 -12.886 -7.867 2.153 1.00 0.00 O ATOM 196 CG2 THR A 15 -10.525 -8.270 1.845 1.00 0.00 C ATOM 0 H THR A 15 -13.150 -5.299 0.931 1.00 0.00 H new ATOM 0 HA THR A 15 -11.215 -5.913 3.028 1.00 0.00 H new ATOM 0 HB THR A 15 -11.850 -7.372 0.433 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.053 -8.788 1.862 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.741 -9.288 1.520 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.635 -7.906 1.332 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.353 -8.262 2.921 1.00 0.00 H new ATOM 204 N VAL A 16 -9.448 -4.532 1.854 1.00 0.00 N ATOM 205 CA VAL A 16 -8.264 -3.947 1.237 1.00 0.00 C ATOM 206 C VAL A 16 -7.025 -4.788 1.519 1.00 0.00 C ATOM 207 O VAL A 16 -6.566 -4.873 2.658 1.00 0.00 O ATOM 208 CB VAL A 16 -8.022 -2.510 1.738 1.00 0.00 C ATOM 209 CG1 VAL A 16 -6.763 -1.931 1.111 1.00 0.00 C ATOM 210 CG2 VAL A 16 -9.228 -1.632 1.441 1.00 0.00 C ATOM 0 H VAL A 16 -9.614 -4.232 2.815 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.446 -3.923 0.163 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.880 -2.539 2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.608 -0.916 1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.906 -2.548 1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.872 -1.914 0.027 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.040 -0.621 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.404 -1.607 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.106 -2.038 1.943 1.00 0.00 H new ATOM 220 N SER A 17 -6.486 -5.407 0.473 1.00 0.00 N ATOM 221 CA SER A 17 -5.300 -6.245 0.609 1.00 0.00 C ATOM 222 C SER A 17 -4.238 -5.852 -0.413 1.00 0.00 C ATOM 223 O SER A 17 -4.526 -5.708 -1.600 1.00 0.00 O ATOM 224 CB SER A 17 -5.670 -7.720 0.436 1.00 0.00 C ATOM 225 OG SER A 17 -4.579 -8.561 0.771 1.00 0.00 O ATOM 0 H SER A 17 -6.851 -5.344 -0.477 1.00 0.00 H new ATOM 0 HA SER A 17 -4.891 -6.095 1.608 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.526 -7.960 1.067 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.972 -7.904 -0.595 1.00 0.00 H new ATOM 0 HG SER A 17 -4.840 -9.498 0.654 1.00 0.00 H new ATOM 231 N ALA A 18 -3.007 -5.680 0.059 1.00 0.00 N ATOM 232 CA ALA A 18 -1.901 -5.306 -0.813 1.00 0.00 C ATOM 233 C ALA A 18 -1.387 -6.509 -1.596 1.00 0.00 C ATOM 234 O ALA A 18 -1.094 -6.408 -2.786 1.00 0.00 O ATOM 235 CB ALA A 18 -0.775 -4.684 0.001 1.00 0.00 C ATOM 0 H ALA A 18 -2.751 -5.794 1.040 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.268 -4.570 -1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.045 -4.409 -0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.143 -3.794 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.419 -5.403 0.739 1.00 0.00 H new ATOM 241 N GLY A 19 -1.280 -7.648 -0.919 1.00 0.00 N ATOM 242 CA GLY A 19 -0.800 -8.855 -1.567 1.00 0.00 C ATOM 243 C GLY A 19 -0.024 -9.751 -0.624 1.00 0.00 C ATOM 244 O GLY A 19 -0.541 -10.764 -0.152 1.00 0.00 O ATOM 0 H GLY A 19 -1.517 -7.757 0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.648 -9.407 -1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.164 -8.583 -2.410 1.00 0.00 H new ATOM 248 N ASP A 20 1.222 -9.381 -0.349 1.00 0.00 N ATOM 249 CA ASP A 20 2.072 -10.159 0.544 1.00 0.00 C ATOM 250 C ASP A 20 3.402 -9.451 0.783 1.00 0.00 C ATOM 251 O ASP A 20 3.771 -8.538 0.045 1.00 0.00 O ATOM 252 CB ASP A 20 2.319 -11.552 -0.037 1.00 0.00 C ATOM 253 CG ASP A 20 2.889 -12.514 0.986 1.00 0.00 C ATOM 254 OD1 ASP A 20 2.598 -12.342 2.188 1.00 0.00 O ATOM 255 OD2 ASP A 20 3.628 -13.438 0.585 1.00 0.00 O ATOM 0 H ASP A 20 1.666 -8.546 -0.732 1.00 0.00 H new ATOM 0 HA ASP A 20 1.557 -10.258 1.500 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.382 -11.952 -0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.006 -11.474 -0.880 1.00 0.00 H new ATOM 260 N ASN A 21 4.116 -9.878 1.819 1.00 0.00 N ATOM 261 CA ASN A 21 5.405 -9.283 2.156 1.00 0.00 C ATOM 262 C ASN A 21 6.344 -9.303 0.954 1.00 0.00 C ATOM 263 O ASN A 21 6.438 -10.304 0.241 1.00 0.00 O ATOM 264 CB ASN A 21 6.044 -10.030 3.328 1.00 0.00 C ATOM 265 CG ASN A 21 6.129 -11.525 3.084 1.00 0.00 C ATOM 266 OD1 ASN A 21 5.990 -11.989 1.953 1.00 0.00 O ATOM 267 ND2 ASN A 21 6.358 -12.286 4.148 1.00 0.00 N ATOM 0 H ASN A 21 3.825 -10.633 2.440 1.00 0.00 H new ATOM 0 HA ASN A 21 5.234 -8.246 2.444 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.045 -9.636 3.504 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.465 -9.845 4.233 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.425 -13.299 4.046 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.467 -11.858 5.067 1.00 0.00 H new ATOM 274 N LEU A 22 7.038 -8.192 0.734 1.00 0.00 N ATOM 275 CA LEU A 22 7.971 -8.081 -0.382 1.00 0.00 C ATOM 276 C LEU A 22 9.403 -7.917 0.120 1.00 0.00 C ATOM 277 O LEU A 22 9.657 -7.173 1.068 1.00 0.00 O ATOM 278 CB LEU A 22 7.593 -6.897 -1.273 1.00 0.00 C ATOM 279 CG LEU A 22 6.140 -6.852 -1.748 1.00 0.00 C ATOM 280 CD1 LEU A 22 5.659 -8.244 -2.126 1.00 0.00 C ATOM 281 CD2 LEU A 22 5.246 -6.251 -0.673 1.00 0.00 C ATOM 0 H LEU A 22 6.972 -7.355 1.314 1.00 0.00 H new ATOM 0 HA LEU A 22 7.912 -9.000 -0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.805 -5.976 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.241 -6.906 -2.150 1.00 0.00 H new ATOM 0 HG LEU A 22 6.087 -6.218 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.623 -8.192 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.281 -8.638 -2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.727 -8.901 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.216 -6.227 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.304 -6.858 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.577 -5.237 -0.450 1.00 0.00 H new ATOM 293 N ILE A 23 10.333 -8.614 -0.523 1.00 0.00 N ATOM 294 CA ILE A 23 11.739 -8.543 -0.144 1.00 0.00 C ATOM 295 C ILE A 23 12.615 -8.204 -1.345 1.00 0.00 C ATOM 296 O ILE A 23 12.548 -8.866 -2.382 1.00 0.00 O ATOM 297 CB ILE A 23 12.223 -9.868 0.473 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.403 -10.204 1.721 1.00 0.00 C ATOM 299 CG2 ILE A 23 13.704 -9.784 0.813 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.602 -11.621 2.210 1.00 0.00 C ATOM 0 H ILE A 23 10.139 -9.234 -1.309 1.00 0.00 H new ATOM 0 HA ILE A 23 11.826 -7.752 0.601 1.00 0.00 H new ATOM 0 HB ILE A 23 12.082 -10.665 -0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.671 -9.512 2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.346 -10.048 1.505 1.00 0.00 H new ATOM 0 HG21 ILE A 23 14.031 -10.728 1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 23 14.275 -9.585 -0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.868 -8.978 1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.991 -11.789 3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.307 -12.321 1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 23 12.652 -11.776 2.458 1.00 0.00 H new ATOM 312 N ILE A 24 13.438 -7.171 -1.198 1.00 0.00 N ATOM 313 CA ILE A 24 14.330 -6.747 -2.269 1.00 0.00 C ATOM 314 C ILE A 24 15.791 -6.861 -1.846 1.00 0.00 C ATOM 315 O ILE A 24 16.098 -6.980 -0.659 1.00 0.00 O ATOM 316 CB ILE A 24 14.044 -5.296 -2.698 1.00 0.00 C ATOM 317 CG1 ILE A 24 13.509 -4.487 -1.515 1.00 0.00 C ATOM 318 CG2 ILE A 24 13.056 -5.271 -3.855 1.00 0.00 C ATOM 319 CD1 ILE A 24 13.066 -3.090 -1.889 1.00 0.00 C ATOM 0 H ILE A 24 13.505 -6.612 -0.347 1.00 0.00 H new ATOM 0 HA ILE A 24 14.146 -7.411 -3.114 1.00 0.00 H new ATOM 0 HB ILE A 24 14.976 -4.841 -3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.668 -5.020 -1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 24 14.283 -4.421 -0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.864 -4.239 -4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.473 -5.816 -4.702 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.122 -5.741 -3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.699 -2.575 -1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.910 -2.540 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.270 -3.147 -2.631 1.00 0.00 H new ATOM 331 N THR A 25 16.690 -6.823 -2.825 1.00 0.00 N ATOM 332 CA THR A 25 18.119 -6.922 -2.554 1.00 0.00 C ATOM 333 C THR A 25 18.893 -5.831 -3.286 1.00 0.00 C ATOM 334 O THR A 25 18.792 -5.695 -4.506 1.00 0.00 O ATOM 335 CB THR A 25 18.675 -8.297 -2.969 1.00 0.00 C ATOM 336 OG1 THR A 25 17.867 -9.340 -2.415 1.00 0.00 O ATOM 337 CG2 THR A 25 20.114 -8.461 -2.503 1.00 0.00 C ATOM 0 H THR A 25 16.454 -6.724 -3.812 1.00 0.00 H new ATOM 0 HA THR A 25 18.247 -6.796 -1.479 1.00 0.00 H new ATOM 0 HB THR A 25 18.652 -8.360 -4.057 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.226 -10.211 -2.685 1.00 0.00 H new ATOM 0 HG21 THR A 25 20.486 -9.439 -2.807 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.732 -7.683 -2.950 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.156 -8.378 -1.417 1.00 0.00 H new ATOM 345 N LEU A 26 19.667 -5.056 -2.534 1.00 0.00 N ATOM 346 CA LEU A 26 20.460 -3.977 -3.111 1.00 0.00 C ATOM 347 C LEU A 26 21.257 -4.470 -4.315 1.00 0.00 C ATOM 348 O LEU A 26 21.541 -5.659 -4.457 1.00 0.00 O ATOM 349 CB LEU A 26 21.408 -3.396 -2.061 1.00 0.00 C ATOM 350 CG LEU A 26 20.793 -2.395 -1.081 1.00 0.00 C ATOM 351 CD1 LEU A 26 21.817 -1.970 -0.040 1.00 0.00 C ATOM 352 CD2 LEU A 26 20.252 -1.184 -1.826 1.00 0.00 C ATOM 0 H LEU A 26 19.762 -5.155 -1.523 1.00 0.00 H new ATOM 0 HA LEU A 26 19.777 -3.197 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.833 -4.220 -1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.234 -2.908 -2.577 1.00 0.00 H new ATOM 0 HG LEU A 26 19.963 -2.881 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.362 -1.258 0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 26 22.157 -2.845 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.667 -1.502 -0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.818 -0.482 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 26 21.064 -0.697 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.486 -1.504 -2.532 1.00 0.00 H new ATOM 364 N PRO A 27 21.628 -3.535 -5.202 1.00 0.00 N ATOM 365 CA PRO A 27 21.295 -2.117 -5.044 1.00 0.00 C ATOM 366 C PRO A 27 19.807 -1.846 -5.235 1.00 0.00 C ATOM 367 O PRO A 27 19.293 -0.815 -4.800 1.00 0.00 O ATOM 368 CB PRO A 27 22.108 -1.436 -6.148 1.00 0.00 C ATOM 369 CG PRO A 27 22.305 -2.493 -7.180 1.00 0.00 C ATOM 370 CD PRO A 27 22.402 -3.792 -6.429 1.00 0.00 C ATOM 0 HA PRO A 27 21.524 -1.754 -4.042 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.577 -0.577 -6.558 1.00 0.00 H new ATOM 0 HB3 PRO A 27 23.062 -1.070 -5.769 1.00 0.00 H new ATOM 0 HG2 PRO A 27 21.473 -2.511 -7.884 1.00 0.00 H new ATOM 0 HG3 PRO A 27 23.210 -2.309 -7.760 1.00 0.00 H new ATOM 0 HD2 PRO A 27 21.984 -4.620 -7.002 1.00 0.00 H new ATOM 0 HD3 PRO A 27 23.437 -4.050 -6.205 1.00 0.00 H new ATOM 378 N ASP A 28 19.120 -2.778 -5.886 1.00 0.00 N ATOM 379 CA ASP A 28 17.689 -2.640 -6.133 1.00 0.00 C ATOM 380 C ASP A 28 16.962 -2.178 -4.874 1.00 0.00 C ATOM 381 O ASP A 28 16.685 -2.974 -3.978 1.00 0.00 O ATOM 382 CB ASP A 28 17.103 -3.968 -6.616 1.00 0.00 C ATOM 383 CG ASP A 28 17.225 -4.142 -8.118 1.00 0.00 C ATOM 384 OD1 ASP A 28 17.345 -3.120 -8.826 1.00 0.00 O ATOM 385 OD2 ASP A 28 17.202 -5.300 -8.584 1.00 0.00 O ATOM 0 H ASP A 28 19.530 -3.637 -6.252 1.00 0.00 H new ATOM 0 HA ASP A 28 17.550 -1.886 -6.908 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.613 -4.791 -6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.052 -4.024 -6.331 1.00 0.00 H new ATOM 390 N ASN A 29 16.658 -0.885 -4.813 1.00 0.00 N ATOM 391 CA ASN A 29 15.965 -0.316 -3.663 1.00 0.00 C ATOM 392 C ASN A 29 14.625 0.283 -4.077 1.00 0.00 C ATOM 393 O ASN A 29 14.120 1.202 -3.433 1.00 0.00 O ATOM 394 CB ASN A 29 16.832 0.755 -2.998 1.00 0.00 C ATOM 395 CG ASN A 29 17.424 1.725 -4.002 1.00 0.00 C ATOM 396 OD1 ASN A 29 16.958 1.823 -5.137 1.00 0.00 O ATOM 397 ND2 ASN A 29 18.459 2.447 -3.587 1.00 0.00 N ATOM 0 H ASN A 29 16.881 -0.212 -5.546 1.00 0.00 H new ATOM 0 HA ASN A 29 15.779 -1.118 -2.949 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.232 1.307 -2.274 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.638 0.274 -2.443 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.900 3.116 -4.218 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.812 2.333 -2.637 1.00 0.00 H new ATOM 404 N GLU A 30 14.054 -0.246 -5.155 1.00 0.00 N ATOM 405 CA GLU A 30 12.772 0.237 -5.654 1.00 0.00 C ATOM 406 C GLU A 30 11.732 -0.880 -5.654 1.00 0.00 C ATOM 407 O GLU A 30 12.025 -2.016 -6.025 1.00 0.00 O ATOM 408 CB GLU A 30 12.930 0.801 -7.068 1.00 0.00 C ATOM 409 CG GLU A 30 14.096 1.766 -7.212 1.00 0.00 C ATOM 410 CD GLU A 30 14.195 2.357 -8.604 1.00 0.00 C ATOM 411 OE1 GLU A 30 13.845 1.654 -9.575 1.00 0.00 O ATOM 412 OE2 GLU A 30 14.624 3.524 -8.723 1.00 0.00 O ATOM 0 H GLU A 30 14.459 -1.008 -5.699 1.00 0.00 H new ATOM 0 HA GLU A 30 12.428 1.030 -4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.064 -0.025 -7.767 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.010 1.312 -7.351 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.988 2.572 -6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.024 1.246 -6.975 1.00 0.00 H new ATOM 419 N VAL A 31 10.516 -0.547 -5.235 1.00 0.00 N ATOM 420 CA VAL A 31 9.431 -1.521 -5.186 1.00 0.00 C ATOM 421 C VAL A 31 8.099 -0.878 -5.554 1.00 0.00 C ATOM 422 O VAL A 31 7.837 0.273 -5.206 1.00 0.00 O ATOM 423 CB VAL A 31 9.312 -2.159 -3.789 1.00 0.00 C ATOM 424 CG1 VAL A 31 9.463 -1.103 -2.705 1.00 0.00 C ATOM 425 CG2 VAL A 31 7.987 -2.892 -3.650 1.00 0.00 C ATOM 0 H VAL A 31 10.257 0.389 -4.924 1.00 0.00 H new ATOM 0 HA VAL A 31 9.670 -2.298 -5.913 1.00 0.00 H new ATOM 0 HB VAL A 31 10.117 -2.885 -3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.376 -1.572 -1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.440 -0.627 -2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.682 -0.351 -2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.920 -3.337 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.166 -2.189 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.924 -3.677 -4.404 1.00 0.00 H new ATOM 435 N GLU A 32 7.259 -1.630 -6.259 1.00 0.00 N ATOM 436 CA GLU A 32 5.953 -1.132 -6.674 1.00 0.00 C ATOM 437 C GLU A 32 4.832 -1.951 -6.041 1.00 0.00 C ATOM 438 O GLU A 32 4.521 -3.053 -6.494 1.00 0.00 O ATOM 439 CB GLU A 32 5.829 -1.171 -8.199 1.00 0.00 C ATOM 440 CG GLU A 32 4.426 -0.878 -8.703 1.00 0.00 C ATOM 441 CD GLU A 32 4.413 -0.380 -10.135 1.00 0.00 C ATOM 442 OE1 GLU A 32 5.119 -0.975 -10.977 1.00 0.00 O ATOM 443 OE2 GLU A 32 3.696 0.603 -10.415 1.00 0.00 O ATOM 0 H GLU A 32 7.460 -2.585 -6.554 1.00 0.00 H new ATOM 0 HA GLU A 32 5.862 -0.100 -6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.520 -0.446 -8.630 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.136 -2.154 -8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.822 -1.782 -8.631 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.961 -0.132 -8.059 1.00 0.00 H new ATOM 450 N LEU A 33 4.231 -1.405 -4.990 1.00 0.00 N ATOM 451 CA LEU A 33 3.144 -2.084 -4.292 1.00 0.00 C ATOM 452 C LEU A 33 1.802 -1.783 -4.951 1.00 0.00 C ATOM 453 O LEU A 33 1.671 -0.821 -5.707 1.00 0.00 O ATOM 454 CB LEU A 33 3.111 -1.660 -2.823 1.00 0.00 C ATOM 455 CG LEU A 33 4.446 -1.713 -2.078 1.00 0.00 C ATOM 456 CD1 LEU A 33 4.488 -0.659 -0.983 1.00 0.00 C ATOM 457 CD2 LEU A 33 4.676 -3.100 -1.495 1.00 0.00 C ATOM 0 H LEU A 33 4.477 -0.494 -4.602 1.00 0.00 H new ATOM 0 HA LEU A 33 3.323 -3.158 -4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.728 -0.641 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.399 -2.297 -2.298 1.00 0.00 H new ATOM 0 HG LEU A 33 5.246 -1.502 -2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.445 -0.712 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.369 0.330 -1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.680 -0.839 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.630 -3.120 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.872 -3.340 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.690 -3.835 -2.300 1.00 0.00 H new ATOM 469 N LYS A 34 0.805 -2.612 -4.656 1.00 0.00 N ATOM 470 CA LYS A 34 -0.529 -2.434 -5.216 1.00 0.00 C ATOM 471 C LYS A 34 -1.601 -2.754 -4.180 1.00 0.00 C ATOM 472 O LYS A 34 -1.403 -3.602 -3.310 1.00 0.00 O ATOM 473 CB LYS A 34 -0.711 -3.325 -6.447 1.00 0.00 C ATOM 474 CG LYS A 34 -1.885 -2.921 -7.322 1.00 0.00 C ATOM 475 CD LYS A 34 -2.064 -3.876 -8.490 1.00 0.00 C ATOM 476 CE LYS A 34 -3.260 -3.490 -9.348 1.00 0.00 C ATOM 477 NZ LYS A 34 -2.963 -2.317 -10.216 1.00 0.00 N ATOM 0 H LYS A 34 0.897 -3.414 -4.032 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.635 -1.390 -5.512 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.201 -3.298 -7.043 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.849 -4.356 -6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.796 -2.901 -6.724 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.729 -1.910 -7.698 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.162 -3.878 -9.101 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.197 -4.891 -8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.550 -4.337 -9.969 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.110 -3.260 -8.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.671 -1.574 -10.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.016 -1.950 -9.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.994 -2.607 -11.214 1.00 0.00 H new ATOM 491 N ALA A 35 -2.737 -2.071 -4.280 1.00 0.00 N ATOM 492 CA ALA A 35 -3.842 -2.286 -3.353 1.00 0.00 C ATOM 493 C ALA A 35 -5.002 -2.999 -4.038 1.00 0.00 C ATOM 494 O ALA A 35 -5.258 -2.791 -5.225 1.00 0.00 O ATOM 495 CB ALA A 35 -4.305 -0.960 -2.768 1.00 0.00 C ATOM 0 H ALA A 35 -2.916 -1.364 -4.993 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.486 -2.923 -2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.130 -1.135 -2.078 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.479 -0.490 -2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.638 -0.304 -3.572 1.00 0.00 H new ATOM 501 N PHE A 36 -5.702 -3.841 -3.284 1.00 0.00 N ATOM 502 CA PHE A 36 -6.835 -4.586 -3.820 1.00 0.00 C ATOM 503 C PHE A 36 -8.034 -4.502 -2.881 1.00 0.00 C ATOM 504 O PHE A 36 -8.030 -5.084 -1.796 1.00 0.00 O ATOM 505 CB PHE A 36 -6.450 -6.050 -4.044 1.00 0.00 C ATOM 506 CG PHE A 36 -5.564 -6.260 -5.238 1.00 0.00 C ATOM 507 CD1 PHE A 36 -4.195 -6.066 -5.144 1.00 0.00 C ATOM 508 CD2 PHE A 36 -6.099 -6.654 -6.454 1.00 0.00 C ATOM 509 CE1 PHE A 36 -3.377 -6.259 -6.242 1.00 0.00 C ATOM 510 CE2 PHE A 36 -5.286 -6.848 -7.555 1.00 0.00 C ATOM 511 CZ PHE A 36 -3.924 -6.652 -7.448 1.00 0.00 C ATOM 0 H PHE A 36 -5.504 -4.024 -2.300 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.112 -4.140 -4.775 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.943 -6.424 -3.155 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.357 -6.642 -4.166 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.762 -5.761 -4.203 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.164 -6.811 -6.543 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.312 -6.103 -6.157 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.716 -7.153 -8.498 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.287 -6.806 -8.306 1.00 0.00 H new ATOM 521 N VAL A 37 -9.061 -3.772 -3.305 1.00 0.00 N ATOM 522 CA VAL A 37 -10.268 -3.611 -2.503 1.00 0.00 C ATOM 523 C VAL A 37 -11.484 -4.193 -3.217 1.00 0.00 C ATOM 524 O VAL A 37 -11.779 -3.832 -4.356 1.00 0.00 O ATOM 525 CB VAL A 37 -10.536 -2.129 -2.183 1.00 0.00 C ATOM 526 CG1 VAL A 37 -10.694 -1.325 -3.465 1.00 0.00 C ATOM 527 CG2 VAL A 37 -11.767 -1.988 -1.300 1.00 0.00 C ATOM 0 H VAL A 37 -9.081 -3.283 -4.200 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.103 -4.152 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.679 -1.733 -1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.883 -0.280 -3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.781 -1.399 -4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.532 -1.719 -4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.941 -0.934 -1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -12.634 -2.401 -1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.609 -2.528 -0.367 1.00 0.00 H new ATOM 537 N ALA A 38 -12.185 -5.095 -2.539 1.00 0.00 N ATOM 538 CA ALA A 38 -13.370 -5.725 -3.107 1.00 0.00 C ATOM 539 C ALA A 38 -14.585 -5.521 -2.208 1.00 0.00 C ATOM 540 O ALA A 38 -14.478 -5.461 -0.983 1.00 0.00 O ATOM 541 CB ALA A 38 -13.122 -7.210 -3.332 1.00 0.00 C ATOM 0 H ALA A 38 -11.953 -5.406 -1.596 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.577 -5.252 -4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -14.015 -7.668 -3.757 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.286 -7.339 -4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.886 -7.688 -2.381 1.00 0.00 H new ATOM 547 N PRO A 39 -15.769 -5.410 -2.828 1.00 0.00 N ATOM 548 CA PRO A 39 -15.909 -5.478 -4.286 1.00 0.00 C ATOM 549 C PRO A 39 -15.319 -4.258 -4.983 1.00 0.00 C ATOM 550 O PRO A 39 -15.223 -3.181 -4.395 1.00 0.00 O ATOM 551 CB PRO A 39 -17.424 -5.533 -4.494 1.00 0.00 C ATOM 552 CG PRO A 39 -17.997 -4.878 -3.285 1.00 0.00 C ATOM 553 CD PRO A 39 -17.063 -5.208 -2.154 1.00 0.00 C ATOM 0 HA PRO A 39 -15.376 -6.330 -4.707 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.718 -5.010 -5.404 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.773 -6.561 -4.590 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.075 -3.800 -3.425 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -19.002 -5.246 -3.081 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.014 -4.400 -1.424 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.381 -6.102 -1.618 1.00 0.00 H new ATOM 561 N ALA A 40 -14.924 -4.433 -6.240 1.00 0.00 N ATOM 562 CA ALA A 40 -14.345 -3.344 -7.018 1.00 0.00 C ATOM 563 C ALA A 40 -15.400 -2.302 -7.373 1.00 0.00 C ATOM 564 O ALA A 40 -16.553 -2.624 -7.661 1.00 0.00 O ATOM 565 CB ALA A 40 -13.691 -3.887 -8.279 1.00 0.00 C ATOM 0 H ALA A 40 -14.994 -5.318 -6.741 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.584 -2.858 -6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.263 -3.063 -8.850 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.902 -4.588 -8.007 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.438 -4.399 -8.885 1.00 0.00 H new ATOM 571 N PRO A 41 -14.999 -1.022 -7.353 1.00 0.00 N ATOM 572 CA PRO A 41 -15.896 0.093 -7.670 1.00 0.00 C ATOM 573 C PRO A 41 -16.272 0.132 -9.147 1.00 0.00 C ATOM 574 O PRO A 41 -15.595 -0.442 -10.000 1.00 0.00 O ATOM 575 CB PRO A 41 -15.072 1.328 -7.295 1.00 0.00 C ATOM 576 CG PRO A 41 -13.654 0.886 -7.409 1.00 0.00 C ATOM 577 CD PRO A 41 -13.640 -0.566 -7.019 1.00 0.00 C ATOM 0 HA PRO A 41 -16.844 0.018 -7.137 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -15.282 2.162 -7.965 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -15.302 1.665 -6.284 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.284 1.021 -8.425 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -13.009 1.472 -6.755 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.882 -1.123 -7.570 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.422 -0.695 -5.959 1.00 0.00 H new ATOM 585 N PRO A 42 -17.377 0.826 -9.459 1.00 0.00 N ATOM 586 CA PRO A 42 -17.867 0.957 -10.835 1.00 0.00 C ATOM 587 C PRO A 42 -16.958 1.830 -11.693 1.00 0.00 C ATOM 588 O PRO A 42 -15.848 2.175 -11.288 1.00 0.00 O ATOM 589 CB PRO A 42 -19.236 1.619 -10.662 1.00 0.00 C ATOM 590 CG PRO A 42 -19.141 2.353 -9.369 1.00 0.00 C ATOM 591 CD PRO A 42 -18.232 1.535 -8.494 1.00 0.00 C ATOM 0 HA PRO A 42 -17.905 -0.004 -11.348 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -19.455 2.297 -11.487 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -20.034 0.877 -10.638 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -18.741 3.356 -9.518 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -20.124 2.467 -8.912 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -17.646 2.164 -7.824 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -18.794 0.841 -7.869 1.00 0.00 H new ATOM 599 N VAL A 43 -17.436 2.184 -12.882 1.00 0.00 N ATOM 600 CA VAL A 43 -16.667 3.019 -13.797 1.00 0.00 C ATOM 601 C VAL A 43 -16.785 4.493 -13.428 1.00 0.00 C ATOM 602 O VAL A 43 -15.995 5.321 -13.880 1.00 0.00 O ATOM 603 CB VAL A 43 -17.129 2.827 -15.254 1.00 0.00 C ATOM 604 CG1 VAL A 43 -18.633 3.028 -15.368 1.00 0.00 C ATOM 605 CG2 VAL A 43 -16.385 3.779 -16.178 1.00 0.00 C ATOM 0 H VAL A 43 -18.352 1.905 -13.234 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.626 2.708 -13.709 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.898 1.806 -15.559 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -18.941 2.888 -16.404 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -19.146 2.303 -14.736 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.891 4.037 -15.046 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -16.724 3.630 -17.203 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -16.583 4.808 -15.876 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -15.315 3.583 -16.117 1.00 0.00 H new ATOM 615 N GLU A 44 -17.777 4.813 -12.603 1.00 0.00 N ATOM 616 CA GLU A 44 -17.998 6.189 -12.173 1.00 0.00 C ATOM 617 C GLU A 44 -17.367 6.440 -10.806 1.00 0.00 C ATOM 618 O GLU A 44 -16.403 7.196 -10.684 1.00 0.00 O ATOM 619 CB GLU A 44 -19.497 6.495 -12.119 1.00 0.00 C ATOM 620 CG GLU A 44 -20.101 6.816 -13.475 1.00 0.00 C ATOM 621 CD GLU A 44 -19.772 8.220 -13.944 1.00 0.00 C ATOM 622 OE1 GLU A 44 -20.105 9.180 -13.218 1.00 0.00 O ATOM 623 OE2 GLU A 44 -19.183 8.359 -15.036 1.00 0.00 O ATOM 0 H GLU A 44 -18.440 4.139 -12.219 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.525 6.850 -12.899 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.019 5.639 -11.692 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.663 7.338 -11.448 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -19.737 6.097 -14.210 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -21.183 6.699 -13.423 1.00 0.00 H new ATOM 630 N THR A 45 -17.919 5.801 -9.779 1.00 0.00 N ATOM 631 CA THR A 45 -17.413 5.955 -8.422 1.00 0.00 C ATOM 632 C THR A 45 -16.095 5.211 -8.238 1.00 0.00 C ATOM 633 O THR A 45 -15.874 4.160 -8.840 1.00 0.00 O ATOM 634 CB THR A 45 -18.428 5.443 -7.382 1.00 0.00 C ATOM 635 OG1 THR A 45 -19.702 6.060 -7.596 1.00 0.00 O ATOM 636 CG2 THR A 45 -17.948 5.734 -5.968 1.00 0.00 C ATOM 0 H THR A 45 -18.717 5.172 -9.862 1.00 0.00 H new ATOM 0 HA THR A 45 -17.250 7.021 -8.265 1.00 0.00 H new ATOM 0 HB THR A 45 -18.523 4.364 -7.501 1.00 0.00 H new ATOM 0 HG1 THR A 45 -20.342 5.728 -6.932 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.681 5.363 -5.251 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.992 5.238 -5.799 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.826 6.810 -5.839 1.00 0.00 H new ATOM 644 N THR A 46 -15.221 5.763 -7.402 1.00 0.00 N ATOM 645 CA THR A 46 -13.924 5.151 -7.140 1.00 0.00 C ATOM 646 C THR A 46 -13.408 5.529 -5.756 1.00 0.00 C ATOM 647 O THR A 46 -13.671 6.626 -5.263 1.00 0.00 O ATOM 648 CB THR A 46 -12.882 5.569 -8.195 1.00 0.00 C ATOM 649 OG1 THR A 46 -11.640 4.901 -7.948 1.00 0.00 O ATOM 650 CG2 THR A 46 -12.667 7.074 -8.177 1.00 0.00 C ATOM 0 H THR A 46 -15.388 6.632 -6.895 1.00 0.00 H new ATOM 0 HA THR A 46 -14.068 4.072 -7.190 1.00 0.00 H new ATOM 0 HB THR A 46 -13.258 5.284 -9.178 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.983 5.171 -8.624 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.927 7.345 -8.930 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.608 7.579 -8.395 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.311 7.379 -7.193 1.00 0.00 H new ATOM 658 N TYR A 47 -12.672 4.614 -5.135 1.00 0.00 N ATOM 659 CA TYR A 47 -12.120 4.851 -3.806 1.00 0.00 C ATOM 660 C TYR A 47 -10.778 5.570 -3.894 1.00 0.00 C ATOM 661 O TYR A 47 -10.138 5.588 -4.945 1.00 0.00 O ATOM 662 CB TYR A 47 -11.955 3.528 -3.056 1.00 0.00 C ATOM 663 CG TYR A 47 -13.173 2.636 -3.127 1.00 0.00 C ATOM 664 CD1 TYR A 47 -14.450 3.154 -2.950 1.00 0.00 C ATOM 665 CD2 TYR A 47 -13.047 1.274 -3.373 1.00 0.00 C ATOM 666 CE1 TYR A 47 -15.566 2.342 -3.014 1.00 0.00 C ATOM 667 CE2 TYR A 47 -14.157 0.454 -3.440 1.00 0.00 C ATOM 668 CZ TYR A 47 -15.414 0.993 -3.259 1.00 0.00 C ATOM 669 OH TYR A 47 -16.523 0.181 -3.324 1.00 0.00 O ATOM 0 H TYR A 47 -12.444 3.702 -5.530 1.00 0.00 H new ATOM 0 HA TYR A 47 -12.816 5.486 -3.259 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -11.098 2.992 -3.465 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.730 3.738 -2.011 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -14.572 4.210 -2.759 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.064 0.849 -3.514 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -16.551 2.761 -2.873 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -14.041 -0.602 -3.633 1.00 0.00 H new ATOM 0 HH TYR A 47 -16.243 -0.741 -3.505 1.00 0.00 H new ATOM 679 N ASN A 48 -10.357 6.162 -2.781 1.00 0.00 N ATOM 680 CA ASN A 48 -9.090 6.883 -2.730 1.00 0.00 C ATOM 681 C ASN A 48 -7.998 6.022 -2.102 1.00 0.00 C ATOM 682 O ASN A 48 -8.249 5.279 -1.153 1.00 0.00 O ATOM 683 CB ASN A 48 -9.249 8.182 -1.938 1.00 0.00 C ATOM 684 CG ASN A 48 -7.916 8.821 -1.601 1.00 0.00 C ATOM 685 OD1 ASN A 48 -7.334 9.536 -2.416 1.00 0.00 O ATOM 686 ND2 ASN A 48 -7.427 8.565 -0.393 1.00 0.00 N ATOM 0 H ASN A 48 -10.875 6.157 -1.902 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.796 7.122 -3.752 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.850 8.885 -2.515 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.794 7.978 -1.016 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.534 8.967 -0.109 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.945 7.966 0.250 1.00 0.00 H new ATOM 693 N TYR A 49 -6.787 6.128 -2.637 1.00 0.00 N ATOM 694 CA TYR A 49 -5.658 5.358 -2.130 1.00 0.00 C ATOM 695 C TYR A 49 -4.649 6.265 -1.433 1.00 0.00 C ATOM 696 O TYR A 49 -3.948 7.044 -2.079 1.00 0.00 O ATOM 697 CB TYR A 49 -4.976 4.601 -3.271 1.00 0.00 C ATOM 698 CG TYR A 49 -5.931 3.782 -4.110 1.00 0.00 C ATOM 699 CD1 TYR A 49 -6.384 2.544 -3.673 1.00 0.00 C ATOM 700 CD2 TYR A 49 -6.380 4.247 -5.340 1.00 0.00 C ATOM 701 CE1 TYR A 49 -7.256 1.792 -4.436 1.00 0.00 C ATOM 702 CE2 TYR A 49 -7.253 3.503 -6.110 1.00 0.00 C ATOM 703 CZ TYR A 49 -7.688 2.276 -5.654 1.00 0.00 C ATOM 704 OH TYR A 49 -8.557 1.531 -6.418 1.00 0.00 O ATOM 0 H TYR A 49 -6.562 6.740 -3.422 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.038 4.641 -1.403 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.462 5.316 -3.914 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.214 3.942 -2.854 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.049 2.163 -2.720 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.041 5.207 -5.700 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.598 0.831 -4.081 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.593 3.880 -7.063 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.763 2.015 -7.245 1.00 0.00 H new ATOM 714 N GLU A 50 -4.582 6.158 -0.109 1.00 0.00 N ATOM 715 CA GLU A 50 -3.659 6.969 0.676 1.00 0.00 C ATOM 716 C GLU A 50 -2.707 6.086 1.479 1.00 0.00 C ATOM 717 O GLU A 50 -3.097 5.484 2.479 1.00 0.00 O ATOM 718 CB GLU A 50 -4.433 7.892 1.619 1.00 0.00 C ATOM 719 CG GLU A 50 -3.541 8.797 2.452 1.00 0.00 C ATOM 720 CD GLU A 50 -4.324 9.851 3.211 1.00 0.00 C ATOM 721 OE1 GLU A 50 -4.796 10.814 2.571 1.00 0.00 O ATOM 722 OE2 GLU A 50 -4.466 9.712 4.444 1.00 0.00 O ATOM 0 H GLU A 50 -5.155 5.518 0.441 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.071 7.575 -0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.115 8.508 1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.045 7.285 2.286 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.975 8.191 3.159 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.817 9.287 1.801 1.00 0.00 H new ATOM 729 N TRP A 51 -1.458 6.016 1.033 1.00 0.00 N ATOM 730 CA TRP A 51 -0.450 5.207 1.709 1.00 0.00 C ATOM 731 C TRP A 51 0.257 6.012 2.793 1.00 0.00 C ATOM 732 O TRP A 51 0.310 7.240 2.732 1.00 0.00 O ATOM 733 CB TRP A 51 0.571 4.680 0.699 1.00 0.00 C ATOM 734 CG TRP A 51 0.001 3.672 -0.252 1.00 0.00 C ATOM 735 CD1 TRP A 51 -0.657 3.929 -1.421 1.00 0.00 C ATOM 736 CD2 TRP A 51 0.035 2.247 -0.114 1.00 0.00 C ATOM 737 NE1 TRP A 51 -1.033 2.750 -2.018 1.00 0.00 N ATOM 738 CE2 TRP A 51 -0.619 1.704 -1.236 1.00 0.00 C ATOM 739 CE3 TRP A 51 0.558 1.378 0.848 1.00 0.00 C ATOM 740 CZ2 TRP A 51 -0.765 0.331 -1.420 1.00 0.00 C ATOM 741 CZ3 TRP A 51 0.412 0.016 0.664 1.00 0.00 C ATOM 742 CH2 TRP A 51 -0.244 -0.496 -0.463 1.00 0.00 C ATOM 0 H TRP A 51 -1.119 6.509 0.207 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.953 4.363 2.181 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.974 5.518 0.130 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.405 4.230 1.238 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.853 4.914 -1.818 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.538 2.667 -2.900 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.067 1.764 1.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.271 -0.066 -2.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.810 -0.665 1.401 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -0.340 -1.565 -0.579 1.00 0.00 H new ATOM 753 N ASN A 52 0.800 5.313 3.784 1.00 0.00 N ATOM 754 CA ASN A 52 1.505 5.965 4.882 1.00 0.00 C ATOM 755 C ASN A 52 2.424 4.981 5.600 1.00 0.00 C ATOM 756 O ASN A 52 2.121 3.791 5.698 1.00 0.00 O ATOM 757 CB ASN A 52 0.505 6.562 5.874 1.00 0.00 C ATOM 758 CG ASN A 52 0.017 7.933 5.449 1.00 0.00 C ATOM 759 OD1 ASN A 52 0.794 8.885 5.375 1.00 0.00 O ATOM 760 ND2 ASN A 52 -1.277 8.040 5.168 1.00 0.00 N ATOM 0 H ASN A 52 0.766 4.296 3.850 1.00 0.00 H new ATOM 0 HA ASN A 52 2.115 6.766 4.464 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.348 5.891 5.974 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.971 6.634 6.857 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.663 8.938 4.877 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.884 7.224 5.243 1.00 0.00 H new ATOM 767 N LEU A 53 3.546 5.485 6.100 1.00 0.00 N ATOM 768 CA LEU A 53 4.510 4.650 6.809 1.00 0.00 C ATOM 769 C LEU A 53 4.305 4.745 8.318 1.00 0.00 C ATOM 770 O LEU A 53 4.546 5.790 8.922 1.00 0.00 O ATOM 771 CB LEU A 53 5.937 5.067 6.450 1.00 0.00 C ATOM 772 CG LEU A 53 7.048 4.119 6.903 1.00 0.00 C ATOM 773 CD1 LEU A 53 6.741 2.693 6.471 1.00 0.00 C ATOM 774 CD2 LEU A 53 8.392 4.568 6.349 1.00 0.00 C ATOM 0 H LEU A 53 3.811 6.467 6.028 1.00 0.00 H new ATOM 0 HA LEU A 53 4.353 3.616 6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.000 5.178 5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.127 6.049 6.882 1.00 0.00 H new ATOM 0 HG LEU A 53 7.100 4.145 7.991 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.542 2.032 6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.799 2.373 6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.661 2.651 5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.170 3.881 6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.353 4.572 5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.616 5.572 6.708 1.00 0.00 H new ATOM 786 N ILE A 54 3.863 3.646 8.919 1.00 0.00 N ATOM 787 CA ILE A 54 3.629 3.604 10.358 1.00 0.00 C ATOM 788 C ILE A 54 4.724 2.817 11.069 1.00 0.00 C ATOM 789 O ILE A 54 4.997 3.040 12.249 1.00 0.00 O ATOM 790 CB ILE A 54 2.262 2.976 10.688 1.00 0.00 C ATOM 791 CG1 ILE A 54 2.255 1.492 10.315 1.00 0.00 C ATOM 792 CG2 ILE A 54 1.149 3.717 9.962 1.00 0.00 C ATOM 793 CD1 ILE A 54 1.881 1.235 8.872 1.00 0.00 C ATOM 0 H ILE A 54 3.660 2.773 8.433 1.00 0.00 H new ATOM 0 HA ILE A 54 3.639 4.635 10.710 1.00 0.00 H new ATOM 0 HB ILE A 54 2.088 3.062 11.761 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.243 1.073 10.506 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.554 0.966 10.963 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.189 3.261 10.206 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.144 4.762 10.273 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.315 3.660 8.886 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.896 0.163 8.678 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.881 1.624 8.680 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.596 1.733 8.217 1.00 0.00 H new ATOM 805 N SER A 55 5.349 1.895 10.344 1.00 0.00 N ATOM 806 CA SER A 55 6.413 1.072 10.907 1.00 0.00 C ATOM 807 C SER A 55 7.673 1.154 10.050 1.00 0.00 C ATOM 808 O SER A 55 7.669 0.769 8.880 1.00 0.00 O ATOM 809 CB SER A 55 5.955 -0.383 11.022 1.00 0.00 C ATOM 810 OG SER A 55 6.594 -1.035 12.106 1.00 0.00 O ATOM 0 H SER A 55 5.137 1.699 9.366 1.00 0.00 H new ATOM 0 HA SER A 55 6.645 1.452 11.902 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.874 -0.417 11.159 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.176 -0.911 10.095 1.00 0.00 H new ATOM 0 HG SER A 55 6.283 -1.963 12.159 1.00 0.00 H new ATOM 816 N HIS A 56 8.752 1.658 10.642 1.00 0.00 N ATOM 817 CA HIS A 56 10.020 1.790 9.934 1.00 0.00 C ATOM 818 C HIS A 56 11.132 2.217 10.888 1.00 0.00 C ATOM 819 O HIS A 56 10.895 2.869 11.905 1.00 0.00 O ATOM 820 CB HIS A 56 9.891 2.804 8.797 1.00 0.00 C ATOM 821 CG HIS A 56 9.606 4.198 9.267 1.00 0.00 C ATOM 822 ND1 HIS A 56 10.510 5.232 9.145 1.00 0.00 N ATOM 823 CD2 HIS A 56 8.510 4.726 9.859 1.00 0.00 C ATOM 824 CE1 HIS A 56 9.982 6.336 9.645 1.00 0.00 C ATOM 825 NE2 HIS A 56 8.769 6.055 10.084 1.00 0.00 N ATOM 0 H HIS A 56 8.773 1.981 11.609 1.00 0.00 H new ATOM 0 HA HIS A 56 10.277 0.817 9.515 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.814 2.806 8.217 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.093 2.485 8.126 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.600 4.200 10.108 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.461 7.303 9.687 1.00 0.00 H new ATOM 0 HE2 HIS A 56 8.128 6.718 10.520 1.00 0.00 H new ATOM 834 N PRO A 57 12.376 1.841 10.554 1.00 0.00 N ATOM 835 CA PRO A 57 13.549 2.174 11.368 1.00 0.00 C ATOM 836 C PRO A 57 13.881 3.661 11.325 1.00 0.00 C ATOM 837 O PRO A 57 13.956 4.261 10.251 1.00 0.00 O ATOM 838 CB PRO A 57 14.671 1.356 10.723 1.00 0.00 C ATOM 839 CG PRO A 57 14.233 1.156 9.314 1.00 0.00 C ATOM 840 CD PRO A 57 12.732 1.063 9.356 1.00 0.00 C ATOM 0 HA PRO A 57 13.391 1.949 12.423 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.623 1.884 10.770 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.810 0.403 11.233 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.555 1.985 8.684 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.669 0.249 8.895 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.278 1.480 8.457 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.395 0.029 9.433 1.00 0.00 H new ATOM 848 N THR A 58 14.081 4.253 12.498 1.00 0.00 N ATOM 849 CA THR A 58 14.404 5.671 12.594 1.00 0.00 C ATOM 850 C THR A 58 15.523 6.046 11.629 1.00 0.00 C ATOM 851 O THR A 58 15.636 7.199 11.213 1.00 0.00 O ATOM 852 CB THR A 58 14.827 6.055 14.025 1.00 0.00 C ATOM 853 OG1 THR A 58 14.567 7.444 14.256 1.00 0.00 O ATOM 854 CG2 THR A 58 16.303 5.766 14.250 1.00 0.00 C ATOM 0 H THR A 58 14.025 3.772 13.396 1.00 0.00 H new ATOM 0 HA THR A 58 13.500 6.220 12.330 1.00 0.00 H new ATOM 0 HB THR A 58 14.246 5.455 14.725 1.00 0.00 H new ATOM 0 HG1 THR A 58 14.837 7.680 15.168 1.00 0.00 H new ATOM 0 HG21 THR A 58 16.578 6.045 15.267 1.00 0.00 H new ATOM 0 HG22 THR A 58 16.492 4.703 14.102 1.00 0.00 H new ATOM 0 HG23 THR A 58 16.899 6.342 13.542 1.00 0.00 H new ATOM 862 N ASP A 59 16.346 5.065 11.275 1.00 0.00 N ATOM 863 CA ASP A 59 17.456 5.293 10.356 1.00 0.00 C ATOM 864 C ASP A 59 16.944 5.623 8.958 1.00 0.00 C ATOM 865 O ASP A 59 17.539 6.429 8.242 1.00 0.00 O ATOM 866 CB ASP A 59 18.362 4.062 10.303 1.00 0.00 C ATOM 867 CG ASP A 59 19.375 4.137 9.178 1.00 0.00 C ATOM 868 OD1 ASP A 59 20.186 5.086 9.173 1.00 0.00 O ATOM 869 OD2 ASP A 59 19.356 3.247 8.301 1.00 0.00 O ATOM 0 H ASP A 59 16.266 4.105 11.610 1.00 0.00 H new ATOM 0 HA ASP A 59 18.031 6.143 10.723 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.886 3.959 11.253 1.00 0.00 H new ATOM 0 HB3 ASP A 59 17.750 3.169 10.178 1.00 0.00 H new ATOM 874 N TYR A 60 15.837 4.996 8.575 1.00 0.00 N ATOM 875 CA TYR A 60 15.247 5.221 7.261 1.00 0.00 C ATOM 876 C TYR A 60 15.340 6.692 6.866 1.00 0.00 C ATOM 877 O TYR A 60 15.275 7.579 7.717 1.00 0.00 O ATOM 878 CB TYR A 60 13.785 4.770 7.251 1.00 0.00 C ATOM 879 CG TYR A 60 13.079 5.034 5.940 1.00 0.00 C ATOM 880 CD1 TYR A 60 13.628 4.612 4.736 1.00 0.00 C ATOM 881 CD2 TYR A 60 11.864 5.706 5.906 1.00 0.00 C ATOM 882 CE1 TYR A 60 12.987 4.851 3.536 1.00 0.00 C ATOM 883 CE2 TYR A 60 11.215 5.949 4.711 1.00 0.00 C ATOM 884 CZ TYR A 60 11.780 5.519 3.528 1.00 0.00 C ATOM 885 OH TYR A 60 11.138 5.760 2.336 1.00 0.00 O ATOM 0 H TYR A 60 15.330 4.328 9.156 1.00 0.00 H new ATOM 0 HA TYR A 60 15.807 4.633 6.534 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.741 3.703 7.469 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.250 5.281 8.051 1.00 0.00 H new ATOM 0 HD1 TYR A 60 14.572 4.088 4.738 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.419 6.044 6.830 1.00 0.00 H new ATOM 0 HE1 TYR A 60 13.428 4.517 2.609 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.271 6.473 4.703 1.00 0.00 H new ATOM 0 HH TYR A 60 11.356 5.049 1.698 1.00 0.00 H new ATOM 934 N ILE A 64 8.284 8.720 0.948 1.00 0.00 N ATOM 935 CA ILE A 64 7.147 8.130 0.252 1.00 0.00 C ATOM 936 C ILE A 64 6.137 9.198 -0.154 1.00 0.00 C ATOM 937 O ILE A 64 5.979 10.210 0.528 1.00 0.00 O ATOM 938 CB ILE A 64 6.440 7.074 1.122 1.00 0.00 C ATOM 939 CG1 ILE A 64 7.464 6.117 1.734 1.00 0.00 C ATOM 940 CG2 ILE A 64 5.417 6.308 0.297 1.00 0.00 C ATOM 941 CD1 ILE A 64 6.932 5.339 2.918 1.00 0.00 C ATOM 0 HA ILE A 64 7.540 7.647 -0.642 1.00 0.00 H new ATOM 0 HB ILE A 64 5.917 7.582 1.932 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.797 5.416 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.339 6.686 2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.925 5.565 0.925 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.673 7.001 -0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.919 5.808 -0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.712 4.681 3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.626 6.033 3.701 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.075 4.743 2.606 1.00 0.00 H new ATOM 953 N LYS A 65 5.454 8.964 -1.269 1.00 0.00 N ATOM 954 CA LYS A 65 4.456 9.903 -1.767 1.00 0.00 C ATOM 955 C LYS A 65 3.048 9.448 -1.395 1.00 0.00 C ATOM 956 O LYS A 65 2.078 9.788 -2.072 1.00 0.00 O ATOM 957 CB LYS A 65 4.573 10.047 -3.286 1.00 0.00 C ATOM 958 CG LYS A 65 5.573 11.103 -3.722 1.00 0.00 C ATOM 959 CD LYS A 65 5.135 11.791 -5.004 1.00 0.00 C ATOM 960 CE LYS A 65 4.307 13.034 -4.715 1.00 0.00 C ATOM 961 NZ LYS A 65 5.158 14.180 -4.290 1.00 0.00 N ATOM 0 H LYS A 65 5.573 8.131 -1.846 1.00 0.00 H new ATOM 0 HA LYS A 65 4.641 10.871 -1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.863 9.087 -3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.594 10.295 -3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.688 11.844 -2.931 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.549 10.641 -3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.013 12.065 -5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.552 11.097 -5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.744 13.311 -5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.579 12.812 -3.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.598 14.829 -3.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.968 13.826 -3.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.504 14.686 -5.130 1.00 0.00 H new ATOM 975 N GLN A 66 2.945 8.679 -0.316 1.00 0.00 N ATOM 976 CA GLN A 66 1.655 8.179 0.144 1.00 0.00 C ATOM 977 C GLN A 66 0.863 7.571 -1.009 1.00 0.00 C ATOM 978 O GLN A 66 -0.366 7.535 -0.980 1.00 0.00 O ATOM 979 CB GLN A 66 0.849 9.306 0.793 1.00 0.00 C ATOM 980 CG GLN A 66 1.494 9.870 2.049 1.00 0.00 C ATOM 981 CD GLN A 66 0.977 11.251 2.401 1.00 0.00 C ATOM 982 OE1 GLN A 66 -0.231 11.468 2.501 1.00 0.00 O ATOM 983 NE2 GLN A 66 1.892 12.195 2.591 1.00 0.00 N ATOM 0 H GLN A 66 3.739 8.389 0.255 1.00 0.00 H new ATOM 0 HA GLN A 66 1.839 7.400 0.884 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.717 10.111 0.069 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.145 8.934 1.041 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.309 9.193 2.883 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.574 9.915 1.909 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.883 11.971 2.498 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.604 13.144 2.830 1.00 0.00 H new ATOM 992 N GLY A 67 1.578 7.094 -2.024 1.00 0.00 N ATOM 993 CA GLY A 67 0.925 6.495 -3.173 1.00 0.00 C ATOM 994 C GLY A 67 -0.419 7.128 -3.473 1.00 0.00 C ATOM 995 O GLY A 67 -1.464 6.583 -3.115 1.00 0.00 O ATOM 0 H GLY A 67 2.597 7.112 -2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.571 6.592 -4.045 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.789 5.428 -2.994 1.00 0.00 H new ATOM 999 N HIS A 68 -0.394 8.284 -4.129 1.00 0.00 N ATOM 1000 CA HIS A 68 -1.620 8.993 -4.476 1.00 0.00 C ATOM 1001 C HIS A 68 -2.526 8.121 -5.340 1.00 0.00 C ATOM 1002 O HIS A 68 -3.691 8.451 -5.567 1.00 0.00 O ATOM 1003 CB HIS A 68 -1.292 10.293 -5.210 1.00 0.00 C ATOM 1004 CG HIS A 68 -0.661 11.332 -4.336 1.00 0.00 C ATOM 1005 ND1 HIS A 68 -1.130 11.642 -3.077 1.00 0.00 N ATOM 1006 CD2 HIS A 68 0.410 12.133 -4.544 1.00 0.00 C ATOM 1007 CE1 HIS A 68 -0.376 12.590 -2.549 1.00 0.00 C ATOM 1008 NE2 HIS A 68 0.566 12.906 -3.420 1.00 0.00 N ATOM 0 H HIS A 68 0.462 8.749 -4.431 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.147 9.230 -3.552 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.621 10.072 -6.040 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.208 10.699 -5.640 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.027 12.159 -5.430 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.507 13.031 -1.572 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.291 13.610 -3.280 1.00 0.00 H new ATOM 1017 N LYS A 69 -1.984 7.008 -5.821 1.00 0.00 N ATOM 1018 CA LYS A 69 -2.743 6.087 -6.660 1.00 0.00 C ATOM 1019 C LYS A 69 -2.893 4.730 -5.981 1.00 0.00 C ATOM 1020 O LYS A 69 -2.488 4.553 -4.833 1.00 0.00 O ATOM 1021 CB LYS A 69 -2.055 5.917 -8.017 1.00 0.00 C ATOM 1022 CG LYS A 69 -2.454 6.969 -9.037 1.00 0.00 C ATOM 1023 CD LYS A 69 -1.338 7.229 -10.035 1.00 0.00 C ATOM 1024 CE LYS A 69 -0.331 8.233 -9.497 1.00 0.00 C ATOM 1025 NZ LYS A 69 0.724 8.553 -10.498 1.00 0.00 N ATOM 0 H LYS A 69 -1.021 6.721 -5.644 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.737 6.509 -6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.975 5.952 -7.874 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.292 4.930 -8.414 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.349 6.642 -9.567 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.708 7.897 -8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.831 6.293 -10.267 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.762 7.602 -10.967 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.849 9.148 -9.210 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.133 7.834 -8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.390 9.241 -10.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.236 7.684 -10.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.284 8.958 -11.349 1.00 0.00 H new ATOM 1039 N GLN A 70 -3.478 3.776 -6.698 1.00 0.00 N ATOM 1040 CA GLN A 70 -3.681 2.435 -6.164 1.00 0.00 C ATOM 1041 C GLN A 70 -2.346 1.746 -5.900 1.00 0.00 C ATOM 1042 O GLN A 70 -2.242 0.880 -5.030 1.00 0.00 O ATOM 1043 CB GLN A 70 -4.517 1.597 -7.133 1.00 0.00 C ATOM 1044 CG GLN A 70 -4.644 0.139 -6.724 1.00 0.00 C ATOM 1045 CD GLN A 70 -4.949 -0.772 -7.896 1.00 0.00 C ATOM 1046 OE1 GLN A 70 -4.515 -0.522 -9.021 1.00 0.00 O ATOM 1047 NE2 GLN A 70 -5.700 -1.837 -7.640 1.00 0.00 N ATOM 0 H GLN A 70 -3.820 3.907 -7.650 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.216 2.526 -5.219 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.513 2.032 -7.210 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.069 1.649 -8.125 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.717 -0.183 -6.250 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.433 0.042 -5.979 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.039 -2.006 -6.693 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -5.938 -2.486 -8.390 1.00 0.00 H new ATOM 1056 N THR A 71 -1.324 2.136 -6.656 1.00 0.00 N ATOM 1057 CA THR A 71 0.004 1.556 -6.506 1.00 0.00 C ATOM 1058 C THR A 71 0.954 2.528 -5.816 1.00 0.00 C ATOM 1059 O THR A 71 0.833 3.745 -5.970 1.00 0.00 O ATOM 1060 CB THR A 71 0.599 1.153 -7.868 1.00 0.00 C ATOM 1061 OG1 THR A 71 0.174 2.074 -8.879 1.00 0.00 O ATOM 1062 CG2 THR A 71 0.176 -0.257 -8.248 1.00 0.00 C ATOM 0 H THR A 71 -1.392 2.852 -7.379 1.00 0.00 H new ATOM 0 HA THR A 71 -0.109 0.664 -5.890 1.00 0.00 H new ATOM 0 HB THR A 71 1.686 1.179 -7.787 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.558 1.812 -9.742 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.609 -0.519 -9.214 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.527 -0.959 -7.491 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.911 -0.306 -8.312 1.00 0.00 H new ATOM 1070 N LEU A 72 1.899 1.986 -5.057 1.00 0.00 N ATOM 1071 CA LEU A 72 2.872 2.807 -4.343 1.00 0.00 C ATOM 1072 C LEU A 72 4.296 2.427 -4.735 1.00 0.00 C ATOM 1073 O LEU A 72 4.721 1.289 -4.542 1.00 0.00 O ATOM 1074 CB LEU A 72 2.688 2.653 -2.832 1.00 0.00 C ATOM 1075 CG LEU A 72 3.021 3.883 -1.987 1.00 0.00 C ATOM 1076 CD1 LEU A 72 3.501 3.467 -0.605 1.00 0.00 C ATOM 1077 CD2 LEU A 72 4.070 4.739 -2.682 1.00 0.00 C ATOM 0 H LEU A 72 2.013 0.982 -4.919 1.00 0.00 H new ATOM 0 HA LEU A 72 2.704 3.848 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.652 2.374 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.310 1.825 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 72 2.114 4.477 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.733 4.355 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.719 2.896 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.395 2.851 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.295 5.610 -2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.978 4.154 -2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.689 5.067 -3.649 1.00 0.00 H new ATOM 1089 N ASN A 73 5.030 3.390 -5.284 1.00 0.00 N ATOM 1090 CA ASN A 73 6.408 3.157 -5.701 1.00 0.00 C ATOM 1091 C ASN A 73 7.386 3.857 -4.762 1.00 0.00 C ATOM 1092 O ASN A 73 7.202 5.023 -4.412 1.00 0.00 O ATOM 1093 CB ASN A 73 6.619 3.649 -7.134 1.00 0.00 C ATOM 1094 CG ASN A 73 5.345 3.601 -7.956 1.00 0.00 C ATOM 1095 OD1 ASN A 73 4.880 4.623 -8.461 1.00 0.00 O ATOM 1096 ND2 ASN A 73 4.773 2.410 -8.092 1.00 0.00 N ATOM 0 H ASN A 73 4.694 4.338 -5.450 1.00 0.00 H new ATOM 0 HA ASN A 73 6.597 2.084 -5.661 1.00 0.00 H new ATOM 0 HB2 ASN A 73 6.996 4.672 -7.112 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.382 3.038 -7.616 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.913 2.316 -8.633 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.194 1.589 -7.656 1.00 0.00 H new ATOM 1103 N LEU A 74 8.427 3.137 -4.358 1.00 0.00 N ATOM 1104 CA LEU A 74 9.436 3.688 -3.460 1.00 0.00 C ATOM 1105 C LEU A 74 10.804 3.721 -4.133 1.00 0.00 C ATOM 1106 O LEU A 74 11.056 2.985 -5.087 1.00 0.00 O ATOM 1107 CB LEU A 74 9.508 2.862 -2.174 1.00 0.00 C ATOM 1108 CG LEU A 74 8.591 3.312 -1.036 1.00 0.00 C ATOM 1109 CD1 LEU A 74 7.179 2.790 -1.250 1.00 0.00 C ATOM 1110 CD2 LEU A 74 9.137 2.843 0.305 1.00 0.00 C ATOM 0 H LEU A 74 8.594 2.171 -4.638 1.00 0.00 H new ATOM 0 HA LEU A 74 9.148 4.710 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.271 1.826 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.536 2.877 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 74 8.557 4.401 -1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.541 3.120 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.788 3.174 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.195 1.701 -1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.472 3.172 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.201 1.755 0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.129 3.266 0.462 1.00 0.00 H new ATOM 1122 N SER A 75 11.685 4.580 -3.629 1.00 0.00 N ATOM 1123 CA SER A 75 13.028 4.710 -4.183 1.00 0.00 C ATOM 1124 C SER A 75 14.032 5.070 -3.093 1.00 0.00 C ATOM 1125 O SER A 75 13.652 5.453 -1.986 1.00 0.00 O ATOM 1126 CB SER A 75 13.048 5.775 -5.282 1.00 0.00 C ATOM 1127 OG SER A 75 12.684 7.045 -4.769 1.00 0.00 O ATOM 0 H SER A 75 11.493 5.196 -2.839 1.00 0.00 H new ATOM 0 HA SER A 75 13.312 3.749 -4.612 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.044 5.829 -5.722 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.362 5.491 -6.080 1.00 0.00 H new ATOM 0 HG SER A 75 12.706 7.708 -5.490 1.00 0.00 H new ATOM 1133 N GLN A 76 15.316 4.944 -3.414 1.00 0.00 N ATOM 1134 CA GLN A 76 16.375 5.255 -2.462 1.00 0.00 C ATOM 1135 C GLN A 76 16.123 4.569 -1.124 1.00 0.00 C ATOM 1136 O GLN A 76 16.499 5.083 -0.070 1.00 0.00 O ATOM 1137 CB GLN A 76 16.482 6.768 -2.261 1.00 0.00 C ATOM 1138 CG GLN A 76 17.336 7.462 -3.309 1.00 0.00 C ATOM 1139 CD GLN A 76 17.931 8.764 -2.808 1.00 0.00 C ATOM 1140 OE1 GLN A 76 18.345 8.867 -1.653 1.00 0.00 O ATOM 1141 NE2 GLN A 76 17.976 9.767 -3.677 1.00 0.00 N ATOM 0 H GLN A 76 15.647 4.629 -4.326 1.00 0.00 H new ATOM 0 HA GLN A 76 17.315 4.883 -2.869 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.481 7.200 -2.276 1.00 0.00 H new ATOM 0 HB3 GLN A 76 16.900 6.966 -1.274 1.00 0.00 H new ATOM 0 HG2 GLN A 76 18.140 6.794 -3.617 1.00 0.00 H new ATOM 0 HG3 GLN A 76 16.730 7.660 -4.193 1.00 0.00 H new ATOM 0 HE21 GLN A 76 17.621 9.637 -4.625 1.00 0.00 H new ATOM 0 HE22 GLN A 76 18.365 10.667 -3.397 1.00 0.00 H new ATOM 1150 N LEU A 77 15.485 3.405 -1.173 1.00 0.00 N ATOM 1151 CA LEU A 77 15.182 2.647 0.037 1.00 0.00 C ATOM 1152 C LEU A 77 16.453 2.061 0.644 1.00 0.00 C ATOM 1153 O LEU A 77 17.394 1.720 -0.071 1.00 0.00 O ATOM 1154 CB LEU A 77 14.188 1.527 -0.275 1.00 0.00 C ATOM 1155 CG LEU A 77 12.718 1.938 -0.357 1.00 0.00 C ATOM 1156 CD1 LEU A 77 11.879 0.809 -0.936 1.00 0.00 C ATOM 1157 CD2 LEU A 77 12.199 2.341 1.016 1.00 0.00 C ATOM 0 H LEU A 77 15.167 2.965 -2.037 1.00 0.00 H new ATOM 0 HA LEU A 77 14.736 3.328 0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.471 1.072 -1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.287 0.757 0.490 1.00 0.00 H new ATOM 0 HG LEU A 77 12.638 2.799 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.836 1.120 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.235 0.568 -1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.965 -0.071 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.151 2.630 0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.293 1.499 1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.781 3.182 1.392 1.00 0.00 H new ATOM 1169 N SER A 78 16.470 1.945 1.968 1.00 0.00 N ATOM 1170 CA SER A 78 17.625 1.401 2.673 1.00 0.00 C ATOM 1171 C SER A 78 17.292 0.050 3.300 1.00 0.00 C ATOM 1172 O SER A 78 16.185 -0.465 3.143 1.00 0.00 O ATOM 1173 CB SER A 78 18.095 2.376 3.754 1.00 0.00 C ATOM 1174 OG SER A 78 18.458 3.625 3.191 1.00 0.00 O ATOM 0 H SER A 78 15.697 2.220 2.574 1.00 0.00 H new ATOM 0 HA SER A 78 18.427 1.258 1.949 1.00 0.00 H new ATOM 0 HB2 SER A 78 17.302 2.521 4.487 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.947 1.952 4.285 1.00 0.00 H new ATOM 0 HG SER A 78 18.753 4.231 3.902 1.00 0.00 H new ATOM 1180 N VAL A 79 18.260 -0.519 4.012 1.00 0.00 N ATOM 1181 CA VAL A 79 18.071 -1.809 4.664 1.00 0.00 C ATOM 1182 C VAL A 79 17.236 -1.667 5.932 1.00 0.00 C ATOM 1183 O VAL A 79 17.623 -0.969 6.868 1.00 0.00 O ATOM 1184 CB VAL A 79 19.420 -2.460 5.023 1.00 0.00 C ATOM 1185 CG1 VAL A 79 19.202 -3.783 5.739 1.00 0.00 C ATOM 1186 CG2 VAL A 79 20.266 -2.654 3.773 1.00 0.00 C ATOM 0 H VAL A 79 19.182 -0.107 4.152 1.00 0.00 H new ATOM 0 HA VAL A 79 17.545 -2.447 3.954 1.00 0.00 H new ATOM 0 HB VAL A 79 19.957 -1.794 5.699 1.00 0.00 H new ATOM 0 HG11 VAL A 79 20.167 -4.227 5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.638 -3.612 6.656 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.645 -4.460 5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 79 21.216 -3.115 4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 79 19.737 -3.299 3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 79 20.452 -1.687 3.306 1.00 0.00 H new ATOM 1196 N GLY A 80 16.086 -2.334 5.954 1.00 0.00 N ATOM 1197 CA GLY A 80 15.213 -2.270 7.112 1.00 0.00 C ATOM 1198 C GLY A 80 13.786 -2.665 6.785 1.00 0.00 C ATOM 1199 O GLY A 80 13.444 -2.878 5.621 1.00 0.00 O ATOM 0 H GLY A 80 15.743 -2.917 5.191 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.599 -2.927 7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.223 -1.257 7.515 1.00 0.00 H new ATOM 1203 N LEU A 81 12.952 -2.765 7.813 1.00 0.00 N ATOM 1204 CA LEU A 81 11.553 -3.139 7.630 1.00 0.00 C ATOM 1205 C LEU A 81 10.678 -1.903 7.450 1.00 0.00 C ATOM 1206 O LEU A 81 10.815 -0.920 8.179 1.00 0.00 O ATOM 1207 CB LEU A 81 11.063 -3.955 8.828 1.00 0.00 C ATOM 1208 CG LEU A 81 9.741 -4.700 8.635 1.00 0.00 C ATOM 1209 CD1 LEU A 81 9.863 -5.722 7.515 1.00 0.00 C ATOM 1210 CD2 LEU A 81 9.316 -5.375 9.931 1.00 0.00 C ATOM 0 H LEU A 81 13.219 -2.593 8.782 1.00 0.00 H new ATOM 0 HA LEU A 81 11.479 -3.747 6.729 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.833 -4.682 9.087 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.958 -3.284 9.681 1.00 0.00 H new ATOM 0 HG LEU A 81 8.975 -3.976 8.357 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.913 -6.242 7.392 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.122 -5.214 6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.642 -6.443 7.763 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.374 -5.900 9.776 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.082 -6.087 10.239 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.188 -4.622 10.708 1.00 0.00 H new ATOM 1222 N TYR A 82 9.778 -1.959 6.474 1.00 0.00 N ATOM 1223 CA TYR A 82 8.880 -0.844 6.197 1.00 0.00 C ATOM 1224 C TYR A 82 7.450 -1.334 5.996 1.00 0.00 C ATOM 1225 O TYR A 82 7.173 -2.127 5.095 1.00 0.00 O ATOM 1226 CB TYR A 82 9.349 -0.080 4.958 1.00 0.00 C ATOM 1227 CG TYR A 82 10.838 0.185 4.937 1.00 0.00 C ATOM 1228 CD1 TYR A 82 11.373 1.305 5.561 1.00 0.00 C ATOM 1229 CD2 TYR A 82 11.709 -0.686 4.295 1.00 0.00 C ATOM 1230 CE1 TYR A 82 12.732 1.552 5.543 1.00 0.00 C ATOM 1231 CE2 TYR A 82 13.070 -0.448 4.274 1.00 0.00 C ATOM 1232 CZ TYR A 82 13.576 0.672 4.899 1.00 0.00 C ATOM 1233 OH TYR A 82 14.931 0.913 4.881 1.00 0.00 O ATOM 0 H TYR A 82 9.651 -2.765 5.862 1.00 0.00 H new ATOM 0 HA TYR A 82 8.897 -0.174 7.056 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.077 -0.647 4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.819 0.871 4.905 1.00 0.00 H new ATOM 0 HD1 TYR A 82 10.715 1.995 6.069 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.316 -1.564 3.804 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.131 2.429 6.030 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.734 -1.135 3.771 1.00 0.00 H new ATOM 0 HH TYR A 82 15.408 0.084 4.669 1.00 0.00 H new ATOM 1243 N VAL A 83 6.542 -0.855 6.841 1.00 0.00 N ATOM 1244 CA VAL A 83 5.139 -1.242 6.756 1.00 0.00 C ATOM 1245 C VAL A 83 4.284 -0.096 6.226 1.00 0.00 C ATOM 1246 O VAL A 83 4.121 0.929 6.889 1.00 0.00 O ATOM 1247 CB VAL A 83 4.594 -1.682 8.127 1.00 0.00 C ATOM 1248 CG1 VAL A 83 3.128 -2.074 8.019 1.00 0.00 C ATOM 1249 CG2 VAL A 83 5.422 -2.830 8.685 1.00 0.00 C ATOM 0 H VAL A 83 6.753 -0.198 7.592 1.00 0.00 H new ATOM 0 HA VAL A 83 5.084 -2.083 6.065 1.00 0.00 H new ATOM 0 HB VAL A 83 4.670 -0.841 8.816 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.761 -2.382 8.998 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.548 -1.221 7.666 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.023 -2.900 7.316 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.023 -3.129 9.654 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.380 -3.676 7.999 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.457 -2.509 8.802 1.00 0.00 H new ATOM 1259 N PHE A 84 3.741 -0.275 5.027 1.00 0.00 N ATOM 1260 CA PHE A 84 2.903 0.744 4.407 1.00 0.00 C ATOM 1261 C PHE A 84 1.424 0.398 4.558 1.00 0.00 C ATOM 1262 O PHE A 84 0.962 -0.632 4.067 1.00 0.00 O ATOM 1263 CB PHE A 84 3.255 0.892 2.925 1.00 0.00 C ATOM 1264 CG PHE A 84 4.728 0.801 2.647 1.00 0.00 C ATOM 1265 CD1 PHE A 84 5.561 1.881 2.893 1.00 0.00 C ATOM 1266 CD2 PHE A 84 5.280 -0.364 2.139 1.00 0.00 C ATOM 1267 CE1 PHE A 84 6.916 1.800 2.638 1.00 0.00 C ATOM 1268 CE2 PHE A 84 6.635 -0.451 1.882 1.00 0.00 C ATOM 1269 CZ PHE A 84 7.455 0.633 2.132 1.00 0.00 C ATOM 0 H PHE A 84 3.866 -1.117 4.465 1.00 0.00 H new ATOM 0 HA PHE A 84 3.090 1.691 4.914 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.738 0.118 2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.884 1.852 2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.146 2.796 3.289 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.644 -1.214 1.942 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.554 2.649 2.834 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.053 -1.365 1.486 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.514 0.568 1.932 1.00 0.00 H new ATOM 1279 N LYS A 85 0.686 1.267 5.241 1.00 0.00 N ATOM 1280 CA LYS A 85 -0.740 1.056 5.457 1.00 0.00 C ATOM 1281 C LYS A 85 -1.568 1.914 4.506 1.00 0.00 C ATOM 1282 O LYS A 85 -1.639 3.134 4.656 1.00 0.00 O ATOM 1283 CB LYS A 85 -1.110 1.381 6.906 1.00 0.00 C ATOM 1284 CG LYS A 85 -2.607 1.379 7.167 1.00 0.00 C ATOM 1285 CD LYS A 85 -2.923 1.768 8.601 1.00 0.00 C ATOM 1286 CE LYS A 85 -3.062 3.275 8.752 1.00 0.00 C ATOM 1287 NZ LYS A 85 -4.463 3.728 8.528 1.00 0.00 N ATOM 0 H LYS A 85 1.053 2.124 5.654 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.961 0.007 5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.634 0.655 7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.706 2.360 7.165 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.097 2.073 6.484 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.012 0.388 6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.847 1.283 8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.133 1.407 9.260 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.740 3.571 9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.401 3.774 8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.669 4.539 9.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.582 4.011 7.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.118 2.951 8.747 1.00 0.00 H new ATOM 1301 N VAL A 86 -2.193 1.269 3.526 1.00 0.00 N ATOM 1302 CA VAL A 86 -3.017 1.973 2.551 1.00 0.00 C ATOM 1303 C VAL A 86 -4.431 2.188 3.081 1.00 0.00 C ATOM 1304 O VAL A 86 -5.242 1.262 3.112 1.00 0.00 O ATOM 1305 CB VAL A 86 -3.092 1.203 1.219 1.00 0.00 C ATOM 1306 CG1 VAL A 86 -3.249 -0.288 1.471 1.00 0.00 C ATOM 1307 CG2 VAL A 86 -4.233 1.731 0.362 1.00 0.00 C ATOM 0 H VAL A 86 -2.144 0.260 3.386 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.545 2.940 2.377 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.159 1.358 0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.300 -0.815 0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.395 -0.652 2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.165 -0.467 2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.271 1.176 -0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.176 1.608 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.071 2.788 0.151 1.00 0.00 H new ATOM 1317 N THR A 87 -4.721 3.417 3.496 1.00 0.00 N ATOM 1318 CA THR A 87 -6.036 3.755 4.025 1.00 0.00 C ATOM 1319 C THR A 87 -6.993 4.152 2.907 1.00 0.00 C ATOM 1320 O THR A 87 -6.815 5.185 2.261 1.00 0.00 O ATOM 1321 CB THR A 87 -5.953 4.904 5.046 1.00 0.00 C ATOM 1322 OG1 THR A 87 -4.768 4.770 5.840 1.00 0.00 O ATOM 1323 CG2 THR A 87 -7.176 4.915 5.951 1.00 0.00 C ATOM 0 H THR A 87 -4.062 4.195 3.476 1.00 0.00 H new ATOM 0 HA THR A 87 -6.414 2.863 4.524 1.00 0.00 H new ATOM 0 HB THR A 87 -5.918 5.845 4.497 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.680 5.547 6.431 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.094 5.736 6.664 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.074 5.047 5.347 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.237 3.970 6.491 1.00 0.00 H new ATOM 1331 N VAL A 88 -8.010 3.326 2.683 1.00 0.00 N ATOM 1332 CA VAL A 88 -8.997 3.592 1.643 1.00 0.00 C ATOM 1333 C VAL A 88 -10.414 3.519 2.199 1.00 0.00 C ATOM 1334 O VAL A 88 -10.888 2.448 2.579 1.00 0.00 O ATOM 1335 CB VAL A 88 -8.863 2.597 0.475 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -9.942 2.850 -0.567 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -7.478 2.689 -0.147 1.00 0.00 C ATOM 0 H VAL A 88 -8.172 2.467 3.208 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.806 4.600 1.275 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.995 1.587 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.832 2.138 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.924 2.729 -0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.844 3.864 -0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.401 1.979 -0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.314 3.699 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.725 2.455 0.605 1.00 0.00 H new ATOM 1347 N SER A 89 -11.087 4.665 2.243 1.00 0.00 N ATOM 1348 CA SER A 89 -12.450 4.731 2.756 1.00 0.00 C ATOM 1349 C SER A 89 -13.338 5.559 1.832 1.00 0.00 C ATOM 1350 O SER A 89 -12.892 6.540 1.239 1.00 0.00 O ATOM 1351 CB SER A 89 -12.459 5.332 4.163 1.00 0.00 C ATOM 1352 OG SER A 89 -12.350 6.744 4.115 1.00 0.00 O ATOM 0 H SER A 89 -10.710 5.560 1.930 1.00 0.00 H new ATOM 0 HA SER A 89 -12.846 3.716 2.799 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.380 5.052 4.675 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.633 4.920 4.743 1.00 0.00 H new ATOM 0 HG SER A 89 -12.360 7.104 5.026 1.00 0.00 H new ATOM 1358 N SER A 90 -14.599 5.154 1.715 1.00 0.00 N ATOM 1359 CA SER A 90 -15.550 5.854 0.860 1.00 0.00 C ATOM 1360 C SER A 90 -16.692 6.441 1.685 1.00 0.00 C ATOM 1361 O SER A 90 -16.821 6.157 2.875 1.00 0.00 O ATOM 1362 CB SER A 90 -16.109 4.905 -0.202 1.00 0.00 C ATOM 1363 OG SER A 90 -16.826 5.617 -1.195 1.00 0.00 O ATOM 0 H SER A 90 -14.985 4.345 2.202 1.00 0.00 H new ATOM 0 HA SER A 90 -15.024 6.671 0.366 1.00 0.00 H new ATOM 0 HB2 SER A 90 -15.292 4.351 -0.665 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.764 4.172 0.269 1.00 0.00 H new ATOM 0 HG SER A 90 -17.172 4.989 -1.863 1.00 0.00 H new ATOM 1369 N GLU A 91 -17.517 7.262 1.042 1.00 0.00 N ATOM 1370 CA GLU A 91 -18.647 7.890 1.716 1.00 0.00 C ATOM 1371 C GLU A 91 -19.355 6.896 2.633 1.00 0.00 C ATOM 1372 O GLU A 91 -19.609 7.186 3.801 1.00 0.00 O ATOM 1373 CB GLU A 91 -19.636 8.448 0.690 1.00 0.00 C ATOM 1374 CG GLU A 91 -20.942 8.927 1.301 1.00 0.00 C ATOM 1375 CD GLU A 91 -21.756 9.777 0.345 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -21.149 10.537 -0.438 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -23.001 9.681 0.380 1.00 0.00 O ATOM 0 H GLU A 91 -17.424 7.507 0.056 1.00 0.00 H new ATOM 0 HA GLU A 91 -18.264 8.710 2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.167 9.277 0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.852 7.678 -0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -21.533 8.064 1.608 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.728 9.503 2.201 1.00 0.00 H new ATOM 1384 N ASN A 92 -19.669 5.723 2.093 1.00 0.00 N ATOM 1385 CA ASN A 92 -20.349 4.686 2.861 1.00 0.00 C ATOM 1386 C ASN A 92 -19.507 3.415 2.921 1.00 0.00 C ATOM 1387 O ASN A 92 -20.039 2.305 2.895 1.00 0.00 O ATOM 1388 CB ASN A 92 -21.715 4.378 2.245 1.00 0.00 C ATOM 1389 CG ASN A 92 -21.689 4.423 0.729 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -21.980 5.455 0.123 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -21.340 3.302 0.110 1.00 0.00 N ATOM 0 H ASN A 92 -19.464 5.467 1.127 1.00 0.00 H new ATOM 0 HA ASN A 92 -20.492 5.055 3.877 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -22.043 3.391 2.571 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -22.447 5.096 2.615 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -21.305 3.272 -0.909 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -21.107 2.471 0.653 1.00 0.00 H new ATOM 1398 N ALA A 93 -18.192 3.586 3.003 1.00 0.00 N ATOM 1399 CA ALA A 93 -17.277 2.453 3.070 1.00 0.00 C ATOM 1400 C ALA A 93 -15.984 2.833 3.783 1.00 0.00 C ATOM 1401 O ALA A 93 -15.628 4.009 3.860 1.00 0.00 O ATOM 1402 CB ALA A 93 -16.978 1.933 1.672 1.00 0.00 C ATOM 0 H ALA A 93 -17.736 4.498 3.025 1.00 0.00 H new ATOM 0 HA ALA A 93 -17.759 1.662 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.294 1.087 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -17.905 1.614 1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.520 2.725 1.079 1.00 0.00 H new ATOM 1408 N PHE A 94 -15.285 1.830 4.304 1.00 0.00 N ATOM 1409 CA PHE A 94 -14.031 2.060 5.013 1.00 0.00 C ATOM 1410 C PHE A 94 -13.153 0.812 4.983 1.00 0.00 C ATOM 1411 O PHE A 94 -13.615 -0.292 5.266 1.00 0.00 O ATOM 1412 CB PHE A 94 -14.307 2.468 6.462 1.00 0.00 C ATOM 1413 CG PHE A 94 -13.096 2.395 7.346 1.00 0.00 C ATOM 1414 CD1 PHE A 94 -11.868 2.858 6.902 1.00 0.00 C ATOM 1415 CD2 PHE A 94 -13.185 1.861 8.622 1.00 0.00 C ATOM 1416 CE1 PHE A 94 -10.751 2.792 7.714 1.00 0.00 C ATOM 1417 CE2 PHE A 94 -12.072 1.793 9.439 1.00 0.00 C ATOM 1418 CZ PHE A 94 -10.853 2.258 8.984 1.00 0.00 C ATOM 0 H PHE A 94 -15.565 0.851 4.249 1.00 0.00 H new ATOM 0 HA PHE A 94 -13.501 2.869 4.510 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.697 3.486 6.476 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.085 1.823 6.871 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.782 3.275 5.910 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -14.135 1.494 8.982 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -9.800 3.157 7.356 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.155 1.377 10.432 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.982 2.204 9.620 1.00 0.00 H new ATOM 1428 N GLY A 95 -11.882 0.998 4.637 1.00 0.00 N ATOM 1429 CA GLY A 95 -10.959 -0.120 4.576 1.00 0.00 C ATOM 1430 C GLY A 95 -9.510 0.322 4.618 1.00 0.00 C ATOM 1431 O GLY A 95 -9.183 1.437 4.212 1.00 0.00 O ATOM 0 H GLY A 95 -11.476 1.903 4.398 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.154 -0.794 5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.137 -0.685 3.661 1.00 0.00 H new ATOM 1435 N GLU A 96 -8.640 -0.553 5.112 1.00 0.00 N ATOM 1436 CA GLU A 96 -7.218 -0.245 5.208 1.00 0.00 C ATOM 1437 C GLU A 96 -6.374 -1.496 4.982 1.00 0.00 C ATOM 1438 O GLU A 96 -6.685 -2.569 5.496 1.00 0.00 O ATOM 1439 CB GLU A 96 -6.896 0.361 6.576 1.00 0.00 C ATOM 1440 CG GLU A 96 -7.803 1.518 6.958 1.00 0.00 C ATOM 1441 CD GLU A 96 -7.753 1.835 8.440 1.00 0.00 C ATOM 1442 OE1 GLU A 96 -7.615 0.890 9.245 1.00 0.00 O ATOM 1443 OE2 GLU A 96 -7.851 3.028 8.795 1.00 0.00 O ATOM 0 H GLU A 96 -8.895 -1.480 5.452 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.976 0.481 4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.974 -0.417 7.336 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.862 0.705 6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.514 2.403 6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.828 1.279 6.676 1.00 0.00 H new ATOM 1450 N GLY A 97 -5.302 -1.348 4.209 1.00 0.00 N ATOM 1451 CA GLY A 97 -4.430 -2.473 3.927 1.00 0.00 C ATOM 1452 C GLY A 97 -3.137 -2.415 4.716 1.00 0.00 C ATOM 1453 O GLY A 97 -2.851 -1.420 5.383 1.00 0.00 O ATOM 0 H GLY A 97 -5.022 -0.469 3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.952 -3.401 4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.201 -2.494 2.861 1.00 0.00 H new ATOM 1457 N PHE A 98 -2.353 -3.486 4.643 1.00 0.00 N ATOM 1458 CA PHE A 98 -1.084 -3.554 5.358 1.00 0.00 C ATOM 1459 C PHE A 98 -0.099 -4.467 4.633 1.00 0.00 C ATOM 1460 O PHE A 98 -0.390 -5.636 4.378 1.00 0.00 O ATOM 1461 CB PHE A 98 -1.305 -4.057 6.786 1.00 0.00 C ATOM 1462 CG PHE A 98 -1.759 -2.985 7.735 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -3.096 -2.627 7.809 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -0.850 -2.335 8.554 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -3.516 -1.640 8.681 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -1.264 -1.348 9.428 1.00 0.00 C ATOM 1467 CZ PHE A 98 -2.599 -1.001 9.492 1.00 0.00 C ATOM 0 H PHE A 98 -2.574 -4.318 4.096 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.663 -2.549 5.395 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.047 -4.856 6.771 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.377 -4.491 7.158 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.818 -3.125 7.178 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.195 -2.603 8.509 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.560 -1.369 8.728 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.545 -0.849 10.060 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.925 -0.231 10.175 1.00 0.00 H new ATOM 1477 N VAL A 99 1.068 -3.924 4.302 1.00 0.00 N ATOM 1478 CA VAL A 99 2.097 -4.688 3.606 1.00 0.00 C ATOM 1479 C VAL A 99 3.492 -4.273 4.061 1.00 0.00 C ATOM 1480 O VAL A 99 3.852 -3.098 3.998 1.00 0.00 O ATOM 1481 CB VAL A 99 1.992 -4.510 2.080 1.00 0.00 C ATOM 1482 CG1 VAL A 99 2.279 -3.068 1.689 1.00 0.00 C ATOM 1483 CG2 VAL A 99 2.940 -5.463 1.367 1.00 0.00 C ATOM 0 H VAL A 99 1.325 -2.958 4.505 1.00 0.00 H new ATOM 0 HA VAL A 99 1.935 -5.737 3.854 1.00 0.00 H new ATOM 0 HB VAL A 99 0.974 -4.748 1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.200 -2.962 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.557 -2.409 2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.286 -2.798 2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.853 -5.324 0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.964 -5.258 1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.683 -6.491 1.622 1.00 0.00 H new ATOM 1493 N ASN A 100 4.273 -5.246 4.519 1.00 0.00 N ATOM 1494 CA ASN A 100 5.629 -4.982 4.985 1.00 0.00 C ATOM 1495 C ASN A 100 6.654 -5.363 3.921 1.00 0.00 C ATOM 1496 O ASN A 100 6.498 -6.368 3.226 1.00 0.00 O ATOM 1497 CB ASN A 100 5.907 -5.754 6.277 1.00 0.00 C ATOM 1498 CG ASN A 100 5.265 -7.128 6.278 1.00 0.00 C ATOM 1499 OD1 ASN A 100 4.763 -7.592 5.254 1.00 0.00 O ATOM 1500 ND2 ASN A 100 5.279 -7.786 7.431 1.00 0.00 N ATOM 0 H ASN A 100 3.990 -6.224 4.577 1.00 0.00 H new ATOM 0 HA ASN A 100 5.717 -3.914 5.182 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.984 -5.859 6.410 1.00 0.00 H new ATOM 0 HB3 ASN A 100 5.535 -5.181 7.127 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.863 -8.715 7.493 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.706 -7.363 8.255 1.00 0.00 H new ATOM 1507 N VAL A 101 7.702 -4.555 3.800 1.00 0.00 N ATOM 1508 CA VAL A 101 8.754 -4.809 2.822 1.00 0.00 C ATOM 1509 C VAL A 101 10.131 -4.771 3.474 1.00 0.00 C ATOM 1510 O VAL A 101 10.453 -3.844 4.219 1.00 0.00 O ATOM 1511 CB VAL A 101 8.713 -3.782 1.675 1.00 0.00 C ATOM 1512 CG1 VAL A 101 9.876 -4.001 0.720 1.00 0.00 C ATOM 1513 CG2 VAL A 101 7.385 -3.862 0.937 1.00 0.00 C ATOM 0 H VAL A 101 7.846 -3.719 4.367 1.00 0.00 H new ATOM 0 HA VAL A 101 8.575 -5.804 2.416 1.00 0.00 H new ATOM 0 HB VAL A 101 8.807 -2.783 2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 101 9.830 -3.266 -0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.816 -3.890 1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.816 -5.004 0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.373 -3.130 0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.259 -4.862 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.570 -3.652 1.630 1.00 0.00 H new ATOM 1523 N THR A 102 10.943 -5.784 3.190 1.00 0.00 N ATOM 1524 CA THR A 102 12.286 -5.868 3.749 1.00 0.00 C ATOM 1525 C THR A 102 13.343 -5.595 2.685 1.00 0.00 C ATOM 1526 O THR A 102 13.209 -6.024 1.539 1.00 0.00 O ATOM 1527 CB THR A 102 12.550 -7.251 4.374 1.00 0.00 C ATOM 1528 OG1 THR A 102 11.501 -7.581 5.292 1.00 0.00 O ATOM 1529 CG2 THR A 102 13.888 -7.272 5.097 1.00 0.00 C ATOM 0 H THR A 102 10.693 -6.559 2.575 1.00 0.00 H new ATOM 0 HA THR A 102 12.352 -5.107 4.527 1.00 0.00 H new ATOM 0 HB THR A 102 12.577 -7.989 3.572 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.675 -8.462 5.684 1.00 0.00 H new ATOM 0 HG21 THR A 102 14.052 -8.259 5.530 1.00 0.00 H new ATOM 0 HG22 THR A 102 14.687 -7.048 4.390 1.00 0.00 H new ATOM 0 HG23 THR A 102 13.885 -6.524 5.890 1.00 0.00 H new ATOM 1537 N VAL A 103 14.394 -4.878 3.071 1.00 0.00 N ATOM 1538 CA VAL A 103 15.475 -4.549 2.149 1.00 0.00 C ATOM 1539 C VAL A 103 16.782 -5.204 2.580 1.00 0.00 C ATOM 1540 O VAL A 103 17.424 -4.765 3.535 1.00 0.00 O ATOM 1541 CB VAL A 103 15.684 -3.026 2.050 1.00 0.00 C ATOM 1542 CG1 VAL A 103 16.954 -2.711 1.274 1.00 0.00 C ATOM 1543 CG2 VAL A 103 14.476 -2.364 1.404 1.00 0.00 C ATOM 0 H VAL A 103 14.520 -4.514 4.016 1.00 0.00 H new ATOM 0 HA VAL A 103 15.185 -4.932 1.171 1.00 0.00 H new ATOM 0 HB VAL A 103 15.794 -2.625 3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 103 17.085 -1.631 1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.811 -3.153 1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.877 -3.123 0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.640 -1.288 1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.333 -2.768 0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.588 -2.561 2.005 1.00 0.00 H new ATOM 1553 N LYS A 104 17.173 -6.256 1.869 1.00 0.00 N ATOM 1554 CA LYS A 104 18.406 -6.972 2.176 1.00 0.00 C ATOM 1555 C LYS A 104 19.618 -6.227 1.627 1.00 0.00 C ATOM 1556 O LYS A 104 19.563 -5.592 0.574 1.00 0.00 O ATOM 1557 CB LYS A 104 18.357 -8.387 1.594 1.00 0.00 C ATOM 1558 CG LYS A 104 17.136 -9.180 2.027 1.00 0.00 C ATOM 1559 CD LYS A 104 17.322 -9.779 3.411 1.00 0.00 C ATOM 1560 CE LYS A 104 16.282 -10.850 3.699 1.00 0.00 C ATOM 1561 NZ LYS A 104 16.738 -12.199 3.262 1.00 0.00 N ATOM 0 H LYS A 104 16.654 -6.632 1.076 1.00 0.00 H new ATOM 0 HA LYS A 104 18.500 -7.035 3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.372 -8.324 0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.255 -8.926 1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.260 -8.531 2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.944 -9.976 1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 104 18.320 -10.209 3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.253 -8.992 4.162 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.066 -10.868 4.767 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.352 -10.599 3.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.001 -12.901 3.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.920 -12.189 2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.612 -12.450 3.766 1.00 0.00 H new ATOM 1575 N PRO A 105 20.742 -6.306 2.356 1.00 0.00 N ATOM 1576 CA PRO A 105 21.990 -5.646 1.960 1.00 0.00 C ATOM 1577 C PRO A 105 22.624 -6.294 0.733 1.00 0.00 C ATOM 1578 O PRO A 105 22.374 -7.462 0.438 1.00 0.00 O ATOM 1579 CB PRO A 105 22.890 -5.826 3.185 1.00 0.00 C ATOM 1580 CG PRO A 105 22.364 -7.042 3.866 1.00 0.00 C ATOM 1581 CD PRO A 105 20.880 -7.044 3.622 1.00 0.00 C ATOM 0 HA PRO A 105 21.830 -4.605 1.681 1.00 0.00 H new ATOM 0 HB2 PRO A 105 23.933 -5.955 2.895 1.00 0.00 H new ATOM 0 HB3 PRO A 105 22.846 -4.956 3.840 1.00 0.00 H new ATOM 0 HG2 PRO A 105 22.826 -7.944 3.466 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.584 -7.018 4.933 1.00 0.00 H new ATOM 0 HD2 PRO A 105 20.487 -8.058 3.541 1.00 0.00 H new ATOM 0 HD3 PRO A 105 20.339 -6.556 4.433 1.00 0.00 H new ATOM 1589 N ALA A 106 23.445 -5.527 0.023 1.00 0.00 N ATOM 1590 CA ALA A 106 24.116 -6.027 -1.170 1.00 0.00 C ATOM 1591 C ALA A 106 25.231 -7.001 -0.805 1.00 0.00 C ATOM 1592 O ALA A 106 26.247 -6.609 -0.230 1.00 0.00 O ATOM 1593 CB ALA A 106 24.670 -4.870 -1.988 1.00 0.00 C ATOM 0 H ALA A 106 23.661 -4.557 0.254 1.00 0.00 H new ATOM 0 HA ALA A 106 23.382 -6.564 -1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 106 25.169 -5.258 -2.876 1.00 0.00 H new ATOM 0 HB2 ALA A 106 23.854 -4.213 -2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.385 -4.309 -1.387 1.00 0.00 H new