USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 671 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 95 ASN :FLIP amide:sc= -3.13! C(o=-5.2!,f=-3.1!) USER MOD Set 1.2: A 97 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 43 ASN :FLIP amide:sc= -2.29! C(o=-8!,f=-1!) USER MOD Set 3.2: A 45 THR OG1 : rot 86:sc= 1.27 USER MOD Set 4.1: A 35 SER OG : rot 100:sc= -2.76! USER MOD Set 4.2: A 83 ASN : amide:sc= -7.4! C(o=-10!,f=-18!) USER MOD Set 5.1: A 29 CYS SG : rot -99:sc= 1.02 USER MOD Set 5.2: A 79 CYS SG : rot 171:sc= 1.17 USER MOD Set 6.1: A 24 MET CE :methyl -132:sc= -0.0698 (180deg=-0.0916) USER MOD Set 6.2: A 65 ASN : amide:sc=-0.00525 K(o=-0.075,f=-3) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.514 X(o=-0.51,f=-0.16) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 159:sc= -0.0928 (180deg=-0.352) USER MOD Single : A 31 THR OG1 : rot 160:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -44:sc= 1.13 USER MOD Single : A 53 HIS : no HD1:sc= -2.31 K(o=-2.3,f=-5.9!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.5) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -2.45! C(o=-3.3!,f=-2.4!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 110:sc= -0.91 USER MOD Single : A 77 TYR OH : rot -21:sc= 1.22 USER MOD Single : A 80 MET CE :methyl -121:sc= -3.26! (180deg=-5.11!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.953 USER MOD Single : A 87 ASN : amide:sc= -3.13! C(o=-3.1!,f=-5.6!) USER MOD Single : A 88 SER OG : rot -150:sc= -0.292 USER MOD Single : A 89 ASN : amide:sc= -1.04 X(o=-1,f=-1.5!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 10 12.456 0.083 -6.119 1.00 0.00 N ATOM 101 CA ILE A 10 11.030 0.310 -6.319 1.00 0.00 C ATOM 102 C ILE A 10 10.780 1.199 -7.533 1.00 0.00 C ATOM 103 O ILE A 10 10.766 2.425 -7.425 1.00 0.00 O ATOM 104 CB ILE A 10 10.384 0.959 -5.080 1.00 0.00 C ATOM 105 CG1 ILE A 10 10.501 0.028 -3.871 1.00 0.00 C ATOM 106 CG2 ILE A 10 8.927 1.296 -5.358 1.00 0.00 C ATOM 107 CD1 ILE A 10 10.208 0.711 -2.553 1.00 0.00 C ATOM 0 HA ILE A 10 10.575 -0.666 -6.486 1.00 0.00 H new ATOM 0 HB ILE A 10 10.913 1.885 -4.854 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.814 -0.808 -3.999 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.508 -0.389 -3.839 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.484 1.754 -4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.868 1.992 -6.195 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.383 0.384 -5.605 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.310 -0.008 -1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.912 1.530 -2.403 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.191 1.104 -2.565 1.00 0.00 H new ATOM 119 N MET A 11 10.581 0.572 -8.688 1.00 0.00 N ATOM 120 CA MET A 11 10.328 1.306 -9.922 1.00 0.00 C ATOM 121 C MET A 11 9.333 2.438 -9.687 1.00 0.00 C ATOM 122 O MET A 11 9.486 3.533 -10.227 1.00 0.00 O ATOM 123 CB MET A 11 9.799 0.362 -11.003 1.00 0.00 C ATOM 124 CG MET A 11 10.793 -0.714 -11.410 1.00 0.00 C ATOM 125 SD MET A 11 12.336 -0.029 -12.043 1.00 0.00 S ATOM 126 CE MET A 11 13.478 -1.355 -11.659 1.00 0.00 C ATOM 0 H MET A 11 10.590 -0.442 -8.795 1.00 0.00 H new ATOM 0 HA MET A 11 11.270 1.739 -10.258 1.00 0.00 H new ATOM 0 HB2 MET A 11 8.887 -0.115 -10.643 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.528 0.946 -11.883 1.00 0.00 H new ATOM 0 HG2 MET A 11 11.007 -1.349 -10.551 1.00 0.00 H new ATOM 0 HG3 MET A 11 10.343 -1.350 -12.172 1.00 0.00 H new ATOM 0 HE1 MET A 11 14.479 -1.080 -11.991 1.00 0.00 H new ATOM 0 HE2 MET A 11 13.487 -1.527 -10.583 1.00 0.00 H new ATOM 0 HE3 MET A 11 13.164 -2.265 -12.170 1.00 0.00 H new ATOM 136 N ASP A 12 8.315 2.166 -8.879 1.00 0.00 N ATOM 137 CA ASP A 12 7.295 3.162 -8.572 1.00 0.00 C ATOM 138 C ASP A 12 6.964 3.160 -7.082 1.00 0.00 C ATOM 139 O ASP A 12 6.604 2.127 -6.518 1.00 0.00 O ATOM 140 CB ASP A 12 6.029 2.895 -9.388 1.00 0.00 C ATOM 141 CG ASP A 12 5.236 4.159 -9.656 1.00 0.00 C ATOM 142 OD1 ASP A 12 5.859 5.231 -9.801 1.00 0.00 O ATOM 143 OD2 ASP A 12 3.992 4.075 -9.722 1.00 0.00 O ATOM 0 H ASP A 12 8.174 1.264 -8.424 1.00 0.00 H new ATOM 0 HA ASP A 12 7.689 4.143 -8.837 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.302 2.433 -10.337 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.401 2.181 -8.855 1.00 0.00 H new ATOM 148 N ALA A 13 7.089 4.323 -6.452 1.00 0.00 N ATOM 149 CA ALA A 13 6.803 4.456 -5.029 1.00 0.00 C ATOM 150 C ALA A 13 5.455 5.131 -4.801 1.00 0.00 C ATOM 151 O ALA A 13 5.053 6.033 -5.536 1.00 0.00 O ATOM 152 CB ALA A 13 7.911 5.237 -4.339 1.00 0.00 C ATOM 0 H ALA A 13 7.387 5.187 -6.905 1.00 0.00 H new ATOM 0 HA ALA A 13 6.756 3.456 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.684 5.329 -3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.858 4.712 -4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.986 6.230 -4.781 1.00 0.00 H new ATOM 158 N PRO A 14 4.738 4.686 -3.759 1.00 0.00 N ATOM 159 CA PRO A 14 3.423 5.234 -3.410 1.00 0.00 C ATOM 160 C PRO A 14 3.514 6.655 -2.866 1.00 0.00 C ATOM 161 O PRO A 14 4.570 7.087 -2.403 1.00 0.00 O ATOM 162 CB PRO A 14 2.917 4.278 -2.327 1.00 0.00 C ATOM 163 CG PRO A 14 4.150 3.700 -1.724 1.00 0.00 C ATOM 164 CD PRO A 14 5.155 3.613 -2.840 1.00 0.00 C ATOM 0 HA PRO A 14 2.766 5.303 -4.277 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.321 4.805 -1.581 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.282 3.500 -2.751 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.520 4.328 -0.914 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.952 2.716 -1.299 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.172 3.766 -2.478 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.133 2.637 -3.325 1.00 0.00 H new ATOM 172 N ARG A 15 2.400 7.378 -2.925 1.00 0.00 N ATOM 173 CA ARG A 15 2.355 8.752 -2.439 1.00 0.00 C ATOM 174 C ARG A 15 1.041 9.029 -1.713 1.00 0.00 C ATOM 175 O ARG A 15 0.056 8.313 -1.897 1.00 0.00 O ATOM 176 CB ARG A 15 2.524 9.733 -3.600 1.00 0.00 C ATOM 177 CG ARG A 15 3.976 10.039 -3.932 1.00 0.00 C ATOM 178 CD ARG A 15 4.088 11.050 -5.063 1.00 0.00 C ATOM 179 NE ARG A 15 5.354 11.776 -5.025 1.00 0.00 N ATOM 180 CZ ARG A 15 5.687 12.622 -4.056 1.00 0.00 C ATOM 181 NH1 ARG A 15 4.852 12.847 -3.052 1.00 0.00 N ATOM 182 NH2 ARG A 15 6.858 13.245 -4.092 1.00 0.00 N ATOM 0 H ARG A 15 1.517 7.035 -3.304 1.00 0.00 H new ATOM 0 HA ARG A 15 3.176 8.888 -1.735 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.036 9.323 -4.485 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.012 10.664 -3.356 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.479 10.426 -3.046 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.488 9.119 -4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.994 10.536 -6.019 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.262 11.758 -4.999 1.00 0.00 H new ATOM 0 HE ARG A 15 6.019 11.626 -5.784 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.951 12.370 -3.022 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.110 13.497 -2.310 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.503 13.075 -4.864 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.113 13.894 -3.348 1.00 0.00 H new ATOM 196 N ASP A 16 1.035 10.070 -0.888 1.00 0.00 N ATOM 197 CA ASP A 16 -0.157 10.442 -0.135 1.00 0.00 C ATOM 198 C ASP A 16 -1.402 10.359 -1.013 1.00 0.00 C ATOM 199 O ASP A 16 -1.391 10.791 -2.166 1.00 0.00 O ATOM 200 CB ASP A 16 -0.009 11.855 0.430 1.00 0.00 C ATOM 201 CG ASP A 16 -0.220 12.925 -0.623 1.00 0.00 C ATOM 202 OD1 ASP A 16 0.667 13.090 -1.486 1.00 0.00 O ATOM 203 OD2 ASP A 16 -1.272 13.597 -0.584 1.00 0.00 O ATOM 0 H ASP A 16 1.842 10.671 -0.724 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.269 9.739 0.691 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.727 11.997 1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.985 11.967 0.864 1.00 0.00 H new ATOM 208 N LEU A 17 -2.473 9.800 -0.460 1.00 0.00 N ATOM 209 CA LEU A 17 -3.727 9.660 -1.193 1.00 0.00 C ATOM 210 C LEU A 17 -4.914 10.057 -0.322 1.00 0.00 C ATOM 211 O LEU A 17 -4.938 9.779 0.876 1.00 0.00 O ATOM 212 CB LEU A 17 -3.896 8.220 -1.681 1.00 0.00 C ATOM 213 CG LEU A 17 -5.261 7.869 -2.275 1.00 0.00 C ATOM 214 CD1 LEU A 17 -5.374 8.392 -3.699 1.00 0.00 C ATOM 215 CD2 LEU A 17 -5.488 6.365 -2.238 1.00 0.00 C ATOM 0 H LEU A 17 -2.498 9.437 0.493 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.693 10.328 -2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.133 8.020 -2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.703 7.549 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.032 8.348 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.352 8.133 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.257 9.476 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.595 7.943 -4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.464 6.134 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.711 5.865 -2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.451 6.017 -1.206 1.00 0.00 H new ATOM 227 N ASN A 18 -5.899 10.706 -0.934 1.00 0.00 N ATOM 228 CA ASN A 18 -7.092 11.140 -0.214 1.00 0.00 C ATOM 229 C ASN A 18 -8.351 10.557 -0.847 1.00 0.00 C ATOM 230 O ASN A 18 -8.773 10.984 -1.922 1.00 0.00 O ATOM 231 CB ASN A 18 -7.175 12.667 -0.198 1.00 0.00 C ATOM 232 CG ASN A 18 -6.842 13.279 -1.545 1.00 0.00 C ATOM 233 OD1 ASN A 18 -5.677 13.534 -1.852 1.00 0.00 O ATOM 234 ND2 ASN A 18 -7.866 13.517 -2.356 1.00 0.00 N ATOM 0 H ASN A 18 -5.895 10.943 -1.926 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.021 10.776 0.811 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.179 12.970 0.097 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.490 13.057 0.555 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.704 13.927 -3.276 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.815 13.289 -2.059 1.00 0.00 H new ATOM 241 N ILE A 19 -8.948 9.579 -0.173 1.00 0.00 N ATOM 242 CA ILE A 19 -10.160 8.939 -0.668 1.00 0.00 C ATOM 243 C ILE A 19 -11.285 9.023 0.358 1.00 0.00 C ATOM 244 O ILE A 19 -11.037 9.179 1.554 1.00 0.00 O ATOM 245 CB ILE A 19 -9.912 7.461 -1.022 1.00 0.00 C ATOM 246 CG1 ILE A 19 -11.176 6.838 -1.618 1.00 0.00 C ATOM 247 CG2 ILE A 19 -9.464 6.689 0.210 1.00 0.00 C ATOM 248 CD1 ILE A 19 -10.902 5.625 -2.481 1.00 0.00 C ATOM 0 H ILE A 19 -8.611 9.213 0.718 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.454 9.476 -1.570 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.118 7.409 -1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.848 6.554 -0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.695 7.588 -2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.293 5.646 -0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.540 7.122 0.595 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.237 6.745 0.976 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.843 5.235 -2.870 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.255 5.908 -3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.411 4.857 -1.884 1.00 0.00 H new ATOM 260 N SER A 20 -12.521 8.915 -0.117 1.00 0.00 N ATOM 261 CA SER A 20 -13.685 8.980 0.759 1.00 0.00 C ATOM 262 C SER A 20 -13.983 7.614 1.369 1.00 0.00 C ATOM 263 O SER A 20 -13.644 6.579 0.796 1.00 0.00 O ATOM 264 CB SER A 20 -14.905 9.482 -0.015 1.00 0.00 C ATOM 265 OG SER A 20 -14.744 10.837 -0.399 1.00 0.00 O ATOM 0 H SER A 20 -12.743 8.782 -1.104 1.00 0.00 H new ATOM 0 HA SER A 20 -13.463 9.678 1.566 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.056 8.865 -0.901 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.798 9.379 0.601 1.00 0.00 H new ATOM 0 HG SER A 20 -15.536 11.133 -0.894 1.00 0.00 H new ATOM 271 N GLU A 21 -14.619 7.620 2.537 1.00 0.00 N ATOM 272 CA GLU A 21 -14.961 6.381 3.226 1.00 0.00 C ATOM 273 C GLU A 21 -15.946 5.556 2.403 1.00 0.00 C ATOM 274 O GLU A 21 -16.887 6.092 1.820 1.00 0.00 O ATOM 275 CB GLU A 21 -15.558 6.685 4.602 1.00 0.00 C ATOM 276 CG GLU A 21 -16.111 5.460 5.310 1.00 0.00 C ATOM 277 CD GLU A 21 -17.195 5.805 6.312 1.00 0.00 C ATOM 278 OE1 GLU A 21 -18.313 6.155 5.878 1.00 0.00 O ATOM 279 OE2 GLU A 21 -16.927 5.725 7.529 1.00 0.00 O ATOM 0 H GLU A 21 -14.907 8.468 3.025 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.047 5.802 3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.791 7.141 5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.355 7.419 4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.513 4.768 4.570 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.299 4.944 5.822 1.00 0.00 H new ATOM 286 N GLY A 22 -15.721 4.246 2.362 1.00 0.00 N ATOM 287 CA GLY A 22 -16.595 3.366 1.608 1.00 0.00 C ATOM 288 C GLY A 22 -16.339 3.435 0.115 1.00 0.00 C ATOM 289 O GLY A 22 -17.270 3.346 -0.685 1.00 0.00 O ATOM 0 H GLY A 22 -14.949 3.779 2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.456 2.341 1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.633 3.631 1.808 1.00 0.00 H new ATOM 293 N ARG A 23 -15.074 3.594 -0.260 1.00 0.00 N ATOM 294 CA ARG A 23 -14.699 3.677 -1.666 1.00 0.00 C ATOM 295 C ARG A 23 -13.485 2.800 -1.958 1.00 0.00 C ATOM 296 O ARG A 23 -12.814 2.327 -1.041 1.00 0.00 O ATOM 297 CB ARG A 23 -14.399 5.127 -2.051 1.00 0.00 C ATOM 298 CG ARG A 23 -15.613 6.039 -1.980 1.00 0.00 C ATOM 299 CD ARG A 23 -15.510 7.182 -2.978 1.00 0.00 C ATOM 300 NE ARG A 23 -16.650 8.090 -2.890 1.00 0.00 N ATOM 301 CZ ARG A 23 -16.631 9.340 -3.338 1.00 0.00 C ATOM 302 NH1 ARG A 23 -15.535 9.828 -3.904 1.00 0.00 N ATOM 303 NH2 ARG A 23 -17.709 10.105 -3.222 1.00 0.00 N ATOM 0 H ARG A 23 -14.292 3.668 0.390 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.538 3.316 -2.262 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.623 5.516 -1.391 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.997 5.149 -3.064 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.516 5.461 -2.179 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.708 6.442 -0.972 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.589 7.738 -2.799 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.446 6.777 -3.988 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.509 7.745 -2.461 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -14.705 9.243 -3.996 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.523 10.788 -4.247 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.554 9.733 -2.788 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.693 11.065 -3.567 1.00 0.00 H new ATOM 317 N MET A 24 -13.208 2.589 -3.240 1.00 0.00 N ATOM 318 CA MET A 24 -12.074 1.770 -3.652 1.00 0.00 C ATOM 319 C MET A 24 -10.804 2.610 -3.750 1.00 0.00 C ATOM 320 O MET A 24 -10.766 3.613 -4.463 1.00 0.00 O ATOM 321 CB MET A 24 -12.362 1.101 -4.997 1.00 0.00 C ATOM 322 CG MET A 24 -11.615 -0.207 -5.198 1.00 0.00 C ATOM 323 SD MET A 24 -12.403 -1.278 -6.416 1.00 0.00 S ATOM 324 CE MET A 24 -12.036 -2.893 -5.736 1.00 0.00 C ATOM 0 H MET A 24 -13.753 2.974 -4.012 1.00 0.00 H new ATOM 0 HA MET A 24 -11.921 0.999 -2.897 1.00 0.00 H new ATOM 0 HB2 MET A 24 -13.433 0.914 -5.079 1.00 0.00 H new ATOM 0 HB3 MET A 24 -12.096 1.789 -5.800 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.594 0.007 -5.515 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.549 -0.733 -4.246 1.00 0.00 H new ATOM 0 HE1 MET A 24 -11.645 -3.539 -6.522 1.00 0.00 H new ATOM 0 HE2 MET A 24 -11.293 -2.794 -4.945 1.00 0.00 H new ATOM 0 HE3 MET A 24 -12.946 -3.331 -5.326 1.00 0.00 H new ATOM 334 N ALA A 25 -9.767 2.194 -3.031 1.00 0.00 N ATOM 335 CA ALA A 25 -8.496 2.907 -3.039 1.00 0.00 C ATOM 336 C ALA A 25 -7.360 1.999 -3.499 1.00 0.00 C ATOM 337 O ALA A 25 -7.514 0.780 -3.559 1.00 0.00 O ATOM 338 CB ALA A 25 -8.198 3.469 -1.657 1.00 0.00 C ATOM 0 H ALA A 25 -9.782 1.366 -2.435 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.575 3.733 -3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.246 3.999 -1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.991 4.158 -1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.144 2.653 -0.936 1.00 0.00 H new ATOM 344 N GLU A 26 -6.221 2.603 -3.824 1.00 0.00 N ATOM 345 CA GLU A 26 -5.060 1.847 -4.281 1.00 0.00 C ATOM 346 C GLU A 26 -3.781 2.663 -4.116 1.00 0.00 C ATOM 347 O GLU A 26 -3.783 3.883 -4.285 1.00 0.00 O ATOM 348 CB GLU A 26 -5.233 1.439 -5.745 1.00 0.00 C ATOM 349 CG GLU A 26 -6.408 0.506 -5.982 1.00 0.00 C ATOM 350 CD GLU A 26 -6.345 -0.180 -7.333 1.00 0.00 C ATOM 351 OE1 GLU A 26 -5.731 0.389 -8.260 1.00 0.00 O ATOM 352 OE2 GLU A 26 -6.911 -1.286 -7.464 1.00 0.00 O ATOM 0 H GLU A 26 -6.077 3.612 -3.780 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.979 0.949 -3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.364 2.336 -6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.319 0.954 -6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.432 -0.249 -5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.337 1.072 -5.909 1.00 0.00 H new ATOM 359 N LEU A 27 -2.690 1.981 -3.785 1.00 0.00 N ATOM 360 CA LEU A 27 -1.403 2.641 -3.596 1.00 0.00 C ATOM 361 C LEU A 27 -0.439 2.285 -4.723 1.00 0.00 C ATOM 362 O LEU A 27 -0.056 1.126 -4.884 1.00 0.00 O ATOM 363 CB LEU A 27 -0.798 2.247 -2.248 1.00 0.00 C ATOM 364 CG LEU A 27 -1.365 2.964 -1.022 1.00 0.00 C ATOM 365 CD1 LEU A 27 -1.289 2.067 0.204 1.00 0.00 C ATOM 366 CD2 LEU A 27 -0.623 4.269 -0.777 1.00 0.00 C ATOM 0 H LEU A 27 -2.671 0.971 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.569 3.718 -3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.933 1.174 -2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.276 2.430 -2.287 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.413 3.195 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.697 2.594 1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.866 1.159 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.249 1.804 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.040 4.766 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.433 4.061 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.730 4.917 -1.647 1.00 0.00 H new ATOM 378 N LYS A 28 -0.047 3.290 -5.499 1.00 0.00 N ATOM 379 CA LYS A 28 0.876 3.085 -6.609 1.00 0.00 C ATOM 380 C LYS A 28 2.227 2.587 -6.108 1.00 0.00 C ATOM 381 O LYS A 28 2.996 3.343 -5.513 1.00 0.00 O ATOM 382 CB LYS A 28 1.059 4.386 -7.394 1.00 0.00 C ATOM 383 CG LYS A 28 -0.055 4.658 -8.389 1.00 0.00 C ATOM 384 CD LYS A 28 0.188 3.943 -9.708 1.00 0.00 C ATOM 385 CE LYS A 28 -0.571 4.603 -10.848 1.00 0.00 C ATOM 386 NZ LYS A 28 -0.039 5.959 -11.158 1.00 0.00 N ATOM 0 H LYS A 28 -0.354 4.255 -5.379 1.00 0.00 H new ATOM 0 HA LYS A 28 0.451 2.327 -7.267 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.119 5.218 -6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.009 4.348 -7.927 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.007 4.334 -7.968 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.133 5.731 -8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.255 3.943 -9.932 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.119 2.901 -9.620 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.507 3.976 -11.737 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.626 4.678 -10.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.315 6.228 -12.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.429 6.647 -10.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.998 5.950 -11.084 1.00 0.00 H new ATOM 400 N CYS A 29 2.511 1.312 -6.354 1.00 0.00 N ATOM 401 CA CYS A 29 3.771 0.714 -5.927 1.00 0.00 C ATOM 402 C CYS A 29 4.225 -0.357 -6.914 1.00 0.00 C ATOM 403 O CYS A 29 3.483 -1.293 -7.215 1.00 0.00 O ATOM 404 CB CYS A 29 3.625 0.109 -4.530 1.00 0.00 C ATOM 405 SG CYS A 29 4.960 -1.021 -4.072 1.00 0.00 S ATOM 0 H CYS A 29 1.886 0.673 -6.846 1.00 0.00 H new ATOM 0 HA CYS A 29 4.527 1.499 -5.897 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.580 0.916 -3.799 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.676 -0.425 -4.474 1.00 0.00 H new ATOM 0 HG CYS A 29 4.571 -2.248 -4.252 1.00 0.00 H new ATOM 411 N ARG A 30 5.447 -0.213 -7.415 1.00 0.00 N ATOM 412 CA ARG A 30 5.999 -1.166 -8.370 1.00 0.00 C ATOM 413 C ARG A 30 7.265 -1.817 -7.819 1.00 0.00 C ATOM 414 O ARG A 30 8.166 -1.133 -7.331 1.00 0.00 O ATOM 415 CB ARG A 30 6.306 -0.471 -9.698 1.00 0.00 C ATOM 416 CG ARG A 30 5.065 -0.111 -10.498 1.00 0.00 C ATOM 417 CD ARG A 30 4.662 -1.237 -11.438 1.00 0.00 C ATOM 418 NE ARG A 30 5.672 -1.480 -12.464 1.00 0.00 N ATOM 419 CZ ARG A 30 5.877 -0.673 -13.500 1.00 0.00 C ATOM 420 NH1 ARG A 30 5.146 0.423 -13.645 1.00 0.00 N ATOM 421 NH2 ARG A 30 6.816 -0.963 -14.392 1.00 0.00 N ATOM 0 H ARG A 30 6.074 0.555 -7.175 1.00 0.00 H new ATOM 0 HA ARG A 30 5.255 -1.944 -8.539 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.876 0.437 -9.500 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.940 -1.121 -10.300 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.243 0.108 -9.817 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.252 0.796 -11.074 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.502 -2.149 -10.863 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.713 -0.990 -11.914 1.00 0.00 H new ATOM 0 HE ARG A 30 6.252 -2.315 -12.381 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.424 0.649 -12.961 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.305 1.041 -14.441 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.381 -1.805 -14.283 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.973 -0.343 -15.187 1.00 0.00 H new ATOM 435 N THR A 31 7.327 -3.142 -7.901 1.00 0.00 N ATOM 436 CA THR A 31 8.481 -3.885 -7.410 1.00 0.00 C ATOM 437 C THR A 31 9.027 -4.823 -8.480 1.00 0.00 C ATOM 438 O THR A 31 8.281 -5.407 -9.267 1.00 0.00 O ATOM 439 CB THR A 31 8.128 -4.706 -6.155 1.00 0.00 C ATOM 440 OG1 THR A 31 7.132 -5.684 -6.473 1.00 0.00 O ATOM 441 CG2 THR A 31 7.620 -3.801 -5.042 1.00 0.00 C ATOM 0 H THR A 31 6.591 -3.723 -8.303 1.00 0.00 H new ATOM 0 HA THR A 31 9.243 -3.150 -7.152 1.00 0.00 H new ATOM 0 HB THR A 31 9.032 -5.208 -5.810 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.141 -6.392 -5.796 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.377 -4.403 -4.166 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.391 -3.076 -4.782 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.727 -3.275 -5.380 1.00 0.00 H new ATOM 449 N PRO A 32 10.359 -4.974 -8.512 1.00 0.00 N ATOM 450 CA PRO A 32 11.034 -5.843 -9.481 1.00 0.00 C ATOM 451 C PRO A 32 10.775 -7.321 -9.214 1.00 0.00 C ATOM 452 O PRO A 32 10.225 -7.703 -8.180 1.00 0.00 O ATOM 453 CB PRO A 32 12.515 -5.515 -9.280 1.00 0.00 C ATOM 454 CG PRO A 32 12.606 -5.018 -7.878 1.00 0.00 C ATOM 455 CD PRO A 32 11.309 -4.309 -7.605 1.00 0.00 C ATOM 0 HA PRO A 32 10.679 -5.672 -10.497 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.139 -6.396 -9.429 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.853 -4.761 -9.990 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.754 -5.842 -7.181 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.453 -4.342 -7.758 1.00 0.00 H new ATOM 0 HD2 PRO A 32 11.007 -4.410 -6.563 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.383 -3.242 -7.813 1.00 0.00 H new ATOM 463 N PRO A 33 11.179 -8.176 -10.165 1.00 0.00 N ATOM 464 CA PRO A 33 11.002 -9.627 -10.054 1.00 0.00 C ATOM 465 C PRO A 33 11.899 -10.240 -8.984 1.00 0.00 C ATOM 466 O PRO A 33 12.916 -9.659 -8.606 1.00 0.00 O ATOM 467 CB PRO A 33 11.396 -10.140 -11.441 1.00 0.00 C ATOM 468 CG PRO A 33 12.321 -9.103 -11.980 1.00 0.00 C ATOM 469 CD PRO A 33 11.842 -7.791 -11.423 1.00 0.00 C ATOM 0 HA PRO A 33 9.987 -9.892 -9.759 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.884 -11.113 -11.379 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.522 -10.262 -12.081 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.349 -9.303 -11.679 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.304 -9.094 -13.070 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.669 -7.103 -11.247 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.152 -7.293 -12.105 1.00 0.00 H new ATOM 477 N MET A 34 11.517 -11.417 -8.501 1.00 0.00 N ATOM 478 CA MET A 34 12.289 -12.110 -7.476 1.00 0.00 C ATOM 479 C MET A 34 12.326 -11.300 -6.184 1.00 0.00 C ATOM 480 O MET A 34 13.315 -11.328 -5.451 1.00 0.00 O ATOM 481 CB MET A 34 13.713 -12.371 -7.969 1.00 0.00 C ATOM 482 CG MET A 34 13.771 -13.005 -9.350 1.00 0.00 C ATOM 483 SD MET A 34 15.286 -13.944 -9.620 1.00 0.00 S ATOM 484 CE MET A 34 14.656 -15.620 -9.588 1.00 0.00 C ATOM 0 H MET A 34 10.677 -11.911 -8.803 1.00 0.00 H new ATOM 0 HA MET A 34 11.803 -13.064 -7.273 1.00 0.00 H new ATOM 0 HB2 MET A 34 14.261 -11.429 -7.987 1.00 0.00 H new ATOM 0 HB3 MET A 34 14.222 -13.022 -7.258 1.00 0.00 H new ATOM 0 HG2 MET A 34 12.912 -13.663 -9.480 1.00 0.00 H new ATOM 0 HG3 MET A 34 13.692 -12.225 -10.107 1.00 0.00 H new ATOM 0 HE1 MET A 34 15.477 -16.320 -9.742 1.00 0.00 H new ATOM 0 HE2 MET A 34 14.189 -15.815 -8.623 1.00 0.00 H new ATOM 0 HE3 MET A 34 13.918 -15.747 -10.380 1.00 0.00 H new ATOM 494 N SER A 35 11.244 -10.578 -5.912 1.00 0.00 N ATOM 495 CA SER A 35 11.155 -9.757 -4.710 1.00 0.00 C ATOM 496 C SER A 35 9.852 -10.025 -3.963 1.00 0.00 C ATOM 497 O SER A 35 8.815 -10.283 -4.574 1.00 0.00 O ATOM 498 CB SER A 35 11.253 -8.273 -5.072 1.00 0.00 C ATOM 499 OG SER A 35 12.533 -7.958 -5.590 1.00 0.00 O ATOM 0 H SER A 35 10.417 -10.545 -6.508 1.00 0.00 H new ATOM 0 HA SER A 35 11.988 -10.021 -4.058 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.488 -8.024 -5.808 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.055 -7.666 -4.188 1.00 0.00 H new ATOM 0 HG SER A 35 12.489 -7.919 -6.568 1.00 0.00 H new ATOM 505 N SER A 36 9.914 -9.962 -2.637 1.00 0.00 N ATOM 506 CA SER A 36 8.741 -10.202 -1.805 1.00 0.00 C ATOM 507 C SER A 36 7.998 -8.899 -1.524 1.00 0.00 C ATOM 508 O SER A 36 8.604 -7.893 -1.154 1.00 0.00 O ATOM 509 CB SER A 36 9.150 -10.863 -0.487 1.00 0.00 C ATOM 510 OG SER A 36 9.204 -12.273 -0.619 1.00 0.00 O ATOM 0 H SER A 36 10.764 -9.747 -2.116 1.00 0.00 H new ATOM 0 HA SER A 36 8.073 -10.872 -2.347 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.124 -10.486 -0.174 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.439 -10.595 0.294 1.00 0.00 H new ATOM 0 HG SER A 36 9.469 -12.672 0.236 1.00 0.00 H new ATOM 516 N VAL A 37 6.681 -8.926 -1.703 1.00 0.00 N ATOM 517 CA VAL A 37 5.854 -7.748 -1.469 1.00 0.00 C ATOM 518 C VAL A 37 5.288 -7.747 -0.053 1.00 0.00 C ATOM 519 O VAL A 37 4.727 -8.743 0.404 1.00 0.00 O ATOM 520 CB VAL A 37 4.691 -7.670 -2.475 1.00 0.00 C ATOM 521 CG1 VAL A 37 3.890 -6.393 -2.268 1.00 0.00 C ATOM 522 CG2 VAL A 37 5.214 -7.756 -3.901 1.00 0.00 C ATOM 0 H VAL A 37 6.164 -9.750 -2.009 1.00 0.00 H new ATOM 0 HA VAL A 37 6.497 -6.878 -1.601 1.00 0.00 H new ATOM 0 HB VAL A 37 4.028 -8.518 -2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.072 -6.356 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.484 -6.378 -1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.539 -5.529 -2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.379 -7.699 -4.599 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.900 -6.929 -4.088 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.739 -8.701 -4.040 1.00 0.00 H new ATOM 532 N LYS A 38 5.439 -6.622 0.637 1.00 0.00 N ATOM 533 CA LYS A 38 4.942 -6.489 2.001 1.00 0.00 C ATOM 534 C LYS A 38 4.376 -5.092 2.241 1.00 0.00 C ATOM 535 O LYS A 38 4.857 -4.112 1.671 1.00 0.00 O ATOM 536 CB LYS A 38 6.061 -6.776 3.005 1.00 0.00 C ATOM 537 CG LYS A 38 6.155 -8.237 3.409 1.00 0.00 C ATOM 538 CD LYS A 38 5.297 -8.535 4.627 1.00 0.00 C ATOM 539 CE LYS A 38 5.264 -10.024 4.935 1.00 0.00 C ATOM 540 NZ LYS A 38 6.532 -10.488 5.565 1.00 0.00 N ATOM 0 H LYS A 38 5.902 -5.789 0.274 1.00 0.00 H new ATOM 0 HA LYS A 38 4.142 -7.216 2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.013 -6.465 2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.901 -6.170 3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.839 -8.866 2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.193 -8.490 3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.686 -7.993 5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.282 -8.175 4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.428 -10.239 5.600 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.090 -10.582 4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.470 -11.508 5.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.327 -10.306 4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.685 -9.974 6.456 1.00 0.00 H new ATOM 554 N TRP A 39 3.356 -5.009 3.086 1.00 0.00 N ATOM 555 CA TRP A 39 2.726 -3.731 3.401 1.00 0.00 C ATOM 556 C TRP A 39 2.445 -3.617 4.895 1.00 0.00 C ATOM 557 O TRP A 39 1.553 -4.283 5.421 1.00 0.00 O ATOM 558 CB TRP A 39 1.427 -3.571 2.610 1.00 0.00 C ATOM 559 CG TRP A 39 1.645 -3.159 1.186 1.00 0.00 C ATOM 560 CD1 TRP A 39 1.826 -3.985 0.113 1.00 0.00 C ATOM 561 CD2 TRP A 39 1.706 -1.821 0.680 1.00 0.00 C ATOM 562 NE1 TRP A 39 1.996 -3.240 -1.029 1.00 0.00 N ATOM 563 CE2 TRP A 39 1.926 -1.910 -0.708 1.00 0.00 C ATOM 564 CE3 TRP A 39 1.595 -0.557 1.265 1.00 0.00 C ATOM 565 CZ2 TRP A 39 2.038 -0.783 -1.518 1.00 0.00 C ATOM 566 CZ3 TRP A 39 1.707 0.561 0.460 1.00 0.00 C ATOM 567 CH2 TRP A 39 1.925 0.442 -0.919 1.00 0.00 C ATOM 0 H TRP A 39 2.947 -5.811 3.566 1.00 0.00 H new ATOM 0 HA TRP A 39 3.415 -2.935 3.119 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.881 -4.514 2.628 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.799 -2.829 3.103 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.834 -5.064 0.156 1.00 0.00 H new ATOM 0 HE1 TRP A 39 2.150 -3.616 -1.965 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.425 -0.455 2.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.208 -0.873 -2.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.625 1.543 0.902 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.005 1.335 -1.521 1.00 0.00 H new ATOM 578 N LEU A 40 3.210 -2.769 5.573 1.00 0.00 N ATOM 579 CA LEU A 40 3.042 -2.567 7.008 1.00 0.00 C ATOM 580 C LEU A 40 1.934 -1.558 7.290 1.00 0.00 C ATOM 581 O LEU A 40 1.790 -0.562 6.579 1.00 0.00 O ATOM 582 CB LEU A 40 4.354 -2.089 7.633 1.00 0.00 C ATOM 583 CG LEU A 40 4.521 -2.356 9.129 1.00 0.00 C ATOM 584 CD1 LEU A 40 5.969 -2.154 9.549 1.00 0.00 C ATOM 585 CD2 LEU A 40 3.599 -1.455 9.938 1.00 0.00 C ATOM 0 H LEU A 40 3.953 -2.210 5.153 1.00 0.00 H new ATOM 0 HA LEU A 40 2.761 -3.521 7.454 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.180 -2.566 7.105 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.444 -1.016 7.463 1.00 0.00 H new ATOM 0 HG LEU A 40 4.248 -3.393 9.326 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.069 -2.348 10.617 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.608 -2.841 8.994 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.269 -1.128 9.338 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.731 -1.659 11.001 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.841 -0.412 9.736 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.564 -1.648 9.658 1.00 0.00 H new ATOM 597 N LEU A 41 1.154 -1.819 8.333 1.00 0.00 N ATOM 598 CA LEU A 41 0.059 -0.933 8.711 1.00 0.00 C ATOM 599 C LEU A 41 0.477 -0.006 9.848 1.00 0.00 C ATOM 600 O LEU A 41 1.357 -0.323 10.649 1.00 0.00 O ATOM 601 CB LEU A 41 -1.165 -1.750 9.129 1.00 0.00 C ATOM 602 CG LEU A 41 -1.754 -2.670 8.059 1.00 0.00 C ATOM 603 CD1 LEU A 41 -2.129 -1.874 6.818 1.00 0.00 C ATOM 604 CD2 LEU A 41 -0.771 -3.778 7.708 1.00 0.00 C ATOM 0 H LEU A 41 1.260 -2.638 8.932 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.198 -0.324 7.844 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.894 -2.357 9.993 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.943 -1.060 9.455 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.659 -3.128 8.459 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.546 -2.545 6.068 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.869 -1.118 7.080 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.240 -1.387 6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.207 -4.423 6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.152 -3.339 7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.553 -4.366 8.599 1.00 0.00 H new ATOM 616 N PRO A 42 -0.169 1.168 9.923 1.00 0.00 N ATOM 617 CA PRO A 42 0.118 2.164 10.960 1.00 0.00 C ATOM 618 C PRO A 42 -0.342 1.711 12.342 1.00 0.00 C ATOM 619 O PRO A 42 -0.238 2.455 13.315 1.00 0.00 O ATOM 620 CB PRO A 42 -0.681 3.388 10.506 1.00 0.00 C ATOM 621 CG PRO A 42 -1.789 2.832 9.679 1.00 0.00 C ATOM 622 CD PRO A 42 -1.228 1.612 9.002 1.00 0.00 C ATOM 0 HA PRO A 42 1.187 2.349 11.063 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.066 3.948 11.358 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.061 4.073 9.928 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.647 2.574 10.299 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.133 3.562 8.946 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.989 0.844 8.864 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.830 1.847 8.015 1.00 0.00 H new ATOM 630 N ASN A 43 -0.850 0.485 12.419 1.00 0.00 N ATOM 631 CA ASN A 43 -1.326 -0.067 13.682 1.00 0.00 C ATOM 632 C ASN A 43 -0.304 -1.032 14.273 1.00 0.00 C ATOM 633 O ASN A 43 -0.404 -1.425 15.435 1.00 0.00 O ATOM 634 CB ASN A 43 -2.663 -0.783 13.479 1.00 0.00 C ATOM 635 CG ASN A 43 -2.579 -1.875 12.431 1.00 0.00 C ATOM 636 OD1 ASN A 43 -2.077 -3.039 12.827 1.00 0.00 O flip ATOM 637 ND2 ASN A 43 -2.963 -1.676 11.278 1.00 0.00 N flip ATOM 0 H ASN A 43 -0.942 -0.145 11.622 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.466 0.758 14.380 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.988 -1.215 14.425 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.420 -0.057 13.183 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.342 -0.766 11.017 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.902 -2.421 10.584 1.00 0.00 H new ATOM 644 N GLY A 44 0.682 -1.411 13.464 1.00 0.00 N ATOM 645 CA GLY A 44 1.708 -2.327 13.924 1.00 0.00 C ATOM 646 C GLY A 44 1.770 -3.594 13.094 1.00 0.00 C ATOM 647 O GLY A 44 2.849 -4.136 12.851 1.00 0.00 O ATOM 0 H GLY A 44 0.787 -1.099 12.499 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.677 -1.828 13.892 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.518 -2.588 14.965 1.00 0.00 H new ATOM 651 N THR A 45 0.608 -4.070 12.656 1.00 0.00 N ATOM 652 CA THR A 45 0.534 -5.282 11.850 1.00 0.00 C ATOM 653 C THR A 45 1.101 -5.050 10.455 1.00 0.00 C ATOM 654 O THR A 45 1.452 -3.926 10.095 1.00 0.00 O ATOM 655 CB THR A 45 -0.916 -5.786 11.726 1.00 0.00 C ATOM 656 OG1 THR A 45 -1.616 -5.574 12.957 1.00 0.00 O ATOM 657 CG2 THR A 45 -0.947 -7.264 11.366 1.00 0.00 C ATOM 0 H THR A 45 -0.294 -3.634 12.846 1.00 0.00 H new ATOM 0 HA THR A 45 1.131 -6.038 12.360 1.00 0.00 H new ATOM 0 HB THR A 45 -1.405 -5.225 10.930 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.980 -4.664 12.974 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.982 -7.597 11.284 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.440 -7.417 10.413 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.442 -7.838 12.142 1.00 0.00 H new ATOM 665 N VAL A 46 1.188 -6.120 9.671 1.00 0.00 N ATOM 666 CA VAL A 46 1.711 -6.033 8.313 1.00 0.00 C ATOM 667 C VAL A 46 1.188 -7.174 7.448 1.00 0.00 C ATOM 668 O VAL A 46 1.209 -8.337 7.855 1.00 0.00 O ATOM 669 CB VAL A 46 3.251 -6.059 8.302 1.00 0.00 C ATOM 670 CG1 VAL A 46 3.769 -7.324 8.970 1.00 0.00 C ATOM 671 CG2 VAL A 46 3.775 -5.945 6.878 1.00 0.00 C ATOM 0 H VAL A 46 0.903 -7.058 9.953 1.00 0.00 H new ATOM 0 HA VAL A 46 1.368 -5.083 7.902 1.00 0.00 H new ATOM 0 HB VAL A 46 3.616 -5.203 8.869 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.859 -7.324 8.953 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.423 -7.358 10.003 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.397 -8.197 8.434 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.865 -5.965 6.889 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.403 -6.780 6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.434 -5.008 6.439 1.00 0.00 H new ATOM 681 N LEU A 47 0.721 -6.836 6.251 1.00 0.00 N ATOM 682 CA LEU A 47 0.192 -7.833 5.327 1.00 0.00 C ATOM 683 C LEU A 47 1.144 -8.048 4.155 1.00 0.00 C ATOM 684 O LEU A 47 2.111 -7.304 3.983 1.00 0.00 O ATOM 685 CB LEU A 47 -1.181 -7.400 4.810 1.00 0.00 C ATOM 686 CG LEU A 47 -2.272 -7.225 5.867 1.00 0.00 C ATOM 687 CD1 LEU A 47 -3.518 -6.609 5.252 1.00 0.00 C ATOM 688 CD2 LEU A 47 -2.601 -8.560 6.520 1.00 0.00 C ATOM 0 H LEU A 47 0.698 -5.879 5.898 1.00 0.00 H new ATOM 0 HA LEU A 47 0.090 -8.775 5.866 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.065 -6.456 4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.522 -8.137 4.083 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.900 -6.549 6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.283 -6.492 6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.273 -5.633 4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.893 -7.259 4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.379 -8.416 7.270 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.952 -9.259 5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.707 -8.962 6.997 1.00 0.00 H new ATOM 700 N SER A 48 0.864 -9.068 3.350 1.00 0.00 N ATOM 701 CA SER A 48 1.696 -9.381 2.195 1.00 0.00 C ATOM 702 C SER A 48 0.907 -10.169 1.154 1.00 0.00 C ATOM 703 O SER A 48 -0.291 -10.406 1.315 1.00 0.00 O ATOM 704 CB SER A 48 2.928 -10.179 2.629 1.00 0.00 C ATOM 705 OG SER A 48 2.577 -11.506 2.981 1.00 0.00 O ATOM 0 H SER A 48 0.067 -9.692 3.477 1.00 0.00 H new ATOM 0 HA SER A 48 2.019 -8.442 1.746 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.659 -10.195 1.820 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.403 -9.688 3.478 1.00 0.00 H new ATOM 0 HG SER A 48 3.381 -11.996 3.253 1.00 0.00 H new ATOM 711 N HIS A 49 1.586 -10.572 0.085 1.00 0.00 N ATOM 712 CA HIS A 49 0.950 -11.334 -0.983 1.00 0.00 C ATOM 713 C HIS A 49 0.269 -12.583 -0.429 1.00 0.00 C ATOM 714 O HIS A 49 -0.735 -13.046 -0.970 1.00 0.00 O ATOM 715 CB HIS A 49 1.980 -11.728 -2.042 1.00 0.00 C ATOM 716 CG HIS A 49 1.387 -12.435 -3.221 1.00 0.00 C ATOM 717 ND1 HIS A 49 0.425 -11.870 -4.032 1.00 0.00 N ATOM 718 CD2 HIS A 49 1.626 -13.668 -3.727 1.00 0.00 C ATOM 719 CE1 HIS A 49 0.097 -12.725 -4.984 1.00 0.00 C ATOM 720 NE2 HIS A 49 0.812 -13.824 -4.821 1.00 0.00 N ATOM 0 H HIS A 49 2.577 -10.383 -0.065 1.00 0.00 H new ATOM 0 HA HIS A 49 0.191 -10.702 -1.443 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.495 -10.831 -2.388 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.732 -12.371 -1.584 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.327 -14.394 -3.341 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.632 -12.555 -5.763 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.766 -14.654 -5.412 1.00 0.00 H new ATOM 729 N ALA A 50 0.824 -13.123 0.651 1.00 0.00 N ATOM 730 CA ALA A 50 0.270 -14.316 1.278 1.00 0.00 C ATOM 731 C ALA A 50 -1.060 -14.012 1.959 1.00 0.00 C ATOM 732 O ALA A 50 -2.069 -14.663 1.690 1.00 0.00 O ATOM 733 CB ALA A 50 1.259 -14.893 2.281 1.00 0.00 C ATOM 0 H ALA A 50 1.657 -12.753 1.110 1.00 0.00 H new ATOM 0 HA ALA A 50 0.088 -15.055 0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.832 -15.784 2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.184 -15.157 1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.470 -14.152 3.052 1.00 0.00 H new ATOM 739 N SER A 51 -1.054 -13.018 2.842 1.00 0.00 N ATOM 740 CA SER A 51 -2.259 -12.631 3.565 1.00 0.00 C ATOM 741 C SER A 51 -3.488 -12.730 2.666 1.00 0.00 C ATOM 742 O SER A 51 -3.410 -12.484 1.462 1.00 0.00 O ATOM 743 CB SER A 51 -2.120 -11.205 4.103 1.00 0.00 C ATOM 744 OG SER A 51 -2.266 -10.252 3.064 1.00 0.00 O ATOM 0 H SER A 51 -0.228 -12.466 3.074 1.00 0.00 H new ATOM 0 HA SER A 51 -2.387 -13.317 4.402 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.872 -11.028 4.872 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.146 -11.085 4.577 1.00 0.00 H new ATOM 0 HG SER A 51 -1.757 -10.543 2.279 1.00 0.00 H new ATOM 750 N ARG A 52 -4.620 -13.091 3.259 1.00 0.00 N ATOM 751 CA ARG A 52 -5.865 -13.224 2.513 1.00 0.00 C ATOM 752 C ARG A 52 -6.844 -12.115 2.886 1.00 0.00 C ATOM 753 O ARG A 52 -8.054 -12.250 2.697 1.00 0.00 O ATOM 754 CB ARG A 52 -6.501 -14.591 2.779 1.00 0.00 C ATOM 755 CG ARG A 52 -5.973 -15.693 1.876 1.00 0.00 C ATOM 756 CD ARG A 52 -6.479 -17.060 2.312 1.00 0.00 C ATOM 757 NE ARG A 52 -6.475 -18.021 1.212 1.00 0.00 N ATOM 758 CZ ARG A 52 -7.314 -17.965 0.184 1.00 0.00 C ATOM 759 NH1 ARG A 52 -8.219 -16.998 0.114 1.00 0.00 N ATOM 760 NH2 ARG A 52 -7.249 -18.876 -0.778 1.00 0.00 N ATOM 0 H ARG A 52 -4.701 -13.297 4.255 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.633 -13.139 1.451 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.325 -14.869 3.818 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.580 -14.512 2.649 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.280 -15.501 0.848 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.883 -15.686 1.890 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.856 -17.435 3.124 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.491 -16.964 2.706 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.790 -18.777 1.235 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.272 -16.295 0.851 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.862 -16.958 -0.677 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.554 -19.621 -0.729 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.894 -18.832 -1.567 1.00 0.00 H new ATOM 774 N HIS A 53 -6.313 -11.018 3.418 1.00 0.00 N ATOM 775 CA HIS A 53 -7.140 -9.885 3.817 1.00 0.00 C ATOM 776 C HIS A 53 -8.109 -9.499 2.704 1.00 0.00 C ATOM 777 O HIS A 53 -7.731 -9.361 1.540 1.00 0.00 O ATOM 778 CB HIS A 53 -6.261 -8.689 4.182 1.00 0.00 C ATOM 779 CG HIS A 53 -6.893 -7.761 5.173 1.00 0.00 C ATOM 780 ND1 HIS A 53 -7.962 -6.946 4.867 1.00 0.00 N ATOM 781 CD2 HIS A 53 -6.601 -7.523 6.474 1.00 0.00 C ATOM 782 CE1 HIS A 53 -8.300 -6.246 5.935 1.00 0.00 C ATOM 783 NE2 HIS A 53 -7.490 -6.577 6.924 1.00 0.00 N ATOM 0 H HIS A 53 -5.314 -10.890 3.582 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.720 -10.181 4.691 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.317 -9.053 4.588 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.024 -8.132 3.275 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.816 -7.990 7.050 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.103 -5.525 5.990 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.520 -6.193 7.868 1.00 0.00 H new ATOM 792 N PRO A 54 -9.388 -9.322 3.066 1.00 0.00 N ATOM 793 CA PRO A 54 -10.437 -8.950 2.112 1.00 0.00 C ATOM 794 C PRO A 54 -10.279 -7.520 1.605 1.00 0.00 C ATOM 795 O PRO A 54 -10.282 -7.275 0.399 1.00 0.00 O ATOM 796 CB PRO A 54 -11.724 -9.090 2.927 1.00 0.00 C ATOM 797 CG PRO A 54 -11.298 -8.903 4.343 1.00 0.00 C ATOM 798 CD PRO A 54 -9.909 -9.470 4.435 1.00 0.00 C ATOM 0 HA PRO A 54 -10.414 -9.572 1.217 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.462 -8.343 2.634 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.183 -10.067 2.777 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.308 -7.848 4.618 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.975 -9.416 5.025 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.300 -8.926 5.157 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.921 -10.514 4.750 1.00 0.00 H new ATOM 806 N ARG A 55 -10.143 -6.580 2.535 1.00 0.00 N ATOM 807 CA ARG A 55 -9.985 -5.174 2.182 1.00 0.00 C ATOM 808 C ARG A 55 -8.587 -4.906 1.631 1.00 0.00 C ATOM 809 O ARG A 55 -8.425 -4.578 0.456 1.00 0.00 O ATOM 810 CB ARG A 55 -10.244 -4.288 3.401 1.00 0.00 C ATOM 811 CG ARG A 55 -11.699 -3.878 3.559 1.00 0.00 C ATOM 812 CD ARG A 55 -11.858 -2.775 4.593 1.00 0.00 C ATOM 813 NE ARG A 55 -10.688 -1.903 4.647 1.00 0.00 N ATOM 814 CZ ARG A 55 -9.607 -2.166 5.373 1.00 0.00 C ATOM 815 NH1 ARG A 55 -9.548 -3.272 6.102 1.00 0.00 N ATOM 816 NH2 ARG A 55 -8.583 -1.323 5.370 1.00 0.00 N ATOM 0 H ARG A 55 -10.139 -6.766 3.538 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.714 -4.935 1.407 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.925 -4.818 4.299 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.629 -3.391 3.325 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.088 -3.538 2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.292 -4.744 3.855 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.742 -2.182 4.357 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.025 -3.219 5.574 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.701 -1.044 4.097 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.333 -3.923 6.106 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.717 -3.472 6.659 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.625 -0.472 4.810 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.754 -1.526 5.928 1.00 0.00 H new ATOM 830 N ILE A 56 -7.582 -5.046 2.489 1.00 0.00 N ATOM 831 CA ILE A 56 -6.199 -4.819 2.088 1.00 0.00 C ATOM 832 C ILE A 56 -5.705 -5.928 1.166 1.00 0.00 C ATOM 833 O ILE A 56 -5.218 -6.961 1.625 1.00 0.00 O ATOM 834 CB ILE A 56 -5.267 -4.730 3.311 1.00 0.00 C ATOM 835 CG1 ILE A 56 -5.782 -3.680 4.297 1.00 0.00 C ATOM 836 CG2 ILE A 56 -3.848 -4.401 2.871 1.00 0.00 C ATOM 837 CD1 ILE A 56 -4.968 -3.595 5.569 1.00 0.00 C ATOM 0 H ILE A 56 -7.699 -5.315 3.466 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.176 -3.869 1.554 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.256 -5.697 3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.782 -2.705 3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.817 -3.909 4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.200 -4.341 3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.484 -5.181 2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.842 -3.444 2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.390 -2.830 6.221 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.988 -4.558 6.079 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.938 -3.335 5.325 1.00 0.00 H new ATOM 849 N SER A 57 -5.833 -5.706 -0.139 1.00 0.00 N ATOM 850 CA SER A 57 -5.401 -6.688 -1.127 1.00 0.00 C ATOM 851 C SER A 57 -4.056 -6.295 -1.730 1.00 0.00 C ATOM 852 O SER A 57 -3.863 -5.158 -2.159 1.00 0.00 O ATOM 853 CB SER A 57 -6.449 -6.824 -2.233 1.00 0.00 C ATOM 854 OG SER A 57 -7.581 -7.545 -1.778 1.00 0.00 O ATOM 0 H SER A 57 -6.232 -4.855 -0.536 1.00 0.00 H new ATOM 0 HA SER A 57 -5.287 -7.648 -0.624 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.756 -5.834 -2.571 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.011 -7.332 -3.092 1.00 0.00 H new ATOM 0 HG SER A 57 -8.236 -7.616 -2.503 1.00 0.00 H new ATOM 860 N VAL A 58 -3.128 -7.246 -1.760 1.00 0.00 N ATOM 861 CA VAL A 58 -1.800 -7.002 -2.311 1.00 0.00 C ATOM 862 C VAL A 58 -1.659 -7.620 -3.698 1.00 0.00 C ATOM 863 O VAL A 58 -1.220 -8.762 -3.839 1.00 0.00 O ATOM 864 CB VAL A 58 -0.699 -7.567 -1.394 1.00 0.00 C ATOM 865 CG1 VAL A 58 0.665 -7.438 -2.056 1.00 0.00 C ATOM 866 CG2 VAL A 58 -0.715 -6.863 -0.046 1.00 0.00 C ATOM 0 H VAL A 58 -3.271 -8.193 -1.409 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.681 -5.921 -2.384 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.897 -8.626 -1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.431 -7.842 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.668 -7.992 -2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.875 -6.387 -2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.069 -7.275 0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.542 -5.797 -0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.684 -7.012 0.431 1.00 0.00 H new ATOM 876 N LEU A 59 -2.033 -6.858 -4.719 1.00 0.00 N ATOM 877 CA LEU A 59 -1.948 -7.330 -6.097 1.00 0.00 C ATOM 878 C LEU A 59 -0.549 -7.853 -6.408 1.00 0.00 C ATOM 879 O LEU A 59 0.444 -7.346 -5.888 1.00 0.00 O ATOM 880 CB LEU A 59 -2.310 -6.203 -7.066 1.00 0.00 C ATOM 881 CG LEU A 59 -3.677 -5.551 -6.856 1.00 0.00 C ATOM 882 CD1 LEU A 59 -4.002 -4.611 -8.007 1.00 0.00 C ATOM 883 CD2 LEU A 59 -4.758 -6.612 -6.711 1.00 0.00 C ATOM 0 H LEU A 59 -2.398 -5.911 -4.619 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.658 -8.148 -6.219 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.546 -5.429 -6.994 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.270 -6.597 -8.082 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.642 -4.968 -5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.978 -4.156 -7.841 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.243 -3.831 -8.065 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.018 -5.172 -8.942 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.724 -6.129 -6.562 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.792 -7.222 -7.614 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.533 -7.246 -5.853 1.00 0.00 H new ATOM 895 N ASN A 60 -0.479 -8.870 -7.261 1.00 0.00 N ATOM 896 CA ASN A 60 0.798 -9.461 -7.642 1.00 0.00 C ATOM 897 C ASN A 60 1.828 -8.379 -7.951 1.00 0.00 C ATOM 898 O ASN A 60 2.891 -8.324 -7.333 1.00 0.00 O ATOM 899 CB ASN A 60 0.619 -10.373 -8.858 1.00 0.00 C ATOM 900 CG ASN A 60 -0.399 -9.830 -9.843 1.00 0.00 C ATOM 901 OD1 ASN A 60 -0.051 -9.110 -10.779 1.00 0.00 O ATOM 902 ND2 ASN A 60 -1.665 -10.174 -9.634 1.00 0.00 N ATOM 0 H ASN A 60 -1.292 -9.302 -7.701 1.00 0.00 H new ATOM 0 HA ASN A 60 1.161 -10.053 -6.802 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.578 -10.495 -9.361 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.306 -11.362 -8.524 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.395 -9.839 -10.263 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.907 -10.773 -8.845 1.00 0.00 H new ATOM 909 N ASP A 61 1.505 -7.520 -8.912 1.00 0.00 N ATOM 910 CA ASP A 61 2.400 -6.437 -9.302 1.00 0.00 C ATOM 911 C ASP A 61 3.014 -5.770 -8.075 1.00 0.00 C ATOM 912 O ASP A 61 4.209 -5.479 -8.047 1.00 0.00 O ATOM 913 CB ASP A 61 1.648 -5.401 -10.139 1.00 0.00 C ATOM 914 CG ASP A 61 1.661 -5.732 -11.618 1.00 0.00 C ATOM 915 OD1 ASP A 61 0.949 -6.676 -12.022 1.00 0.00 O ATOM 916 OD2 ASP A 61 2.381 -5.046 -12.373 1.00 0.00 O ATOM 0 H ASP A 61 0.630 -7.553 -9.435 1.00 0.00 H new ATOM 0 HA ASP A 61 3.204 -6.862 -9.902 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.616 -5.338 -9.793 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.096 -4.419 -9.985 1.00 0.00 H new ATOM 921 N GLY A 62 2.186 -5.529 -7.063 1.00 0.00 N ATOM 922 CA GLY A 62 2.666 -4.897 -5.847 1.00 0.00 C ATOM 923 C GLY A 62 1.863 -3.665 -5.479 1.00 0.00 C ATOM 924 O GLY A 62 2.423 -2.652 -5.060 1.00 0.00 O ATOM 0 H GLY A 62 1.192 -5.760 -7.063 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.623 -5.614 -5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.713 -4.620 -5.974 1.00 0.00 H new ATOM 928 N THR A 63 0.545 -3.750 -5.637 1.00 0.00 N ATOM 929 CA THR A 63 -0.336 -2.634 -5.321 1.00 0.00 C ATOM 930 C THR A 63 -1.275 -2.982 -4.172 1.00 0.00 C ATOM 931 O THR A 63 -1.826 -4.083 -4.119 1.00 0.00 O ATOM 932 CB THR A 63 -1.173 -2.215 -6.545 1.00 0.00 C ATOM 933 OG1 THR A 63 -0.310 -1.834 -7.622 1.00 0.00 O ATOM 934 CG2 THR A 63 -2.099 -1.060 -6.197 1.00 0.00 C ATOM 0 H THR A 63 0.065 -4.581 -5.982 1.00 0.00 H new ATOM 0 HA THR A 63 0.302 -1.802 -5.025 1.00 0.00 H new ATOM 0 HB THR A 63 -1.780 -3.067 -6.851 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.850 -1.571 -8.396 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.680 -0.782 -7.076 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.775 -1.364 -5.397 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.507 -0.206 -5.868 1.00 0.00 H new ATOM 942 N LEU A 64 -1.455 -2.039 -3.254 1.00 0.00 N ATOM 943 CA LEU A 64 -2.329 -2.247 -2.105 1.00 0.00 C ATOM 944 C LEU A 64 -3.726 -1.698 -2.378 1.00 0.00 C ATOM 945 O LEU A 64 -3.953 -0.491 -2.309 1.00 0.00 O ATOM 946 CB LEU A 64 -1.739 -1.577 -0.863 1.00 0.00 C ATOM 947 CG LEU A 64 -2.159 -2.169 0.483 1.00 0.00 C ATOM 948 CD1 LEU A 64 -1.821 -3.651 0.542 1.00 0.00 C ATOM 949 CD2 LEU A 64 -1.490 -1.422 1.627 1.00 0.00 C ATOM 0 H LEU A 64 -1.007 -1.123 -3.283 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.408 -3.320 -1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.652 -1.621 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.017 -0.523 -0.876 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.238 -2.058 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.127 -4.056 1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.347 -4.176 -0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.746 -3.784 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.801 -1.857 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.407 -1.500 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.782 -0.372 1.596 1.00 0.00 H new ATOM 961 N ASN A 65 -4.658 -2.594 -2.685 1.00 0.00 N ATOM 962 CA ASN A 65 -6.034 -2.199 -2.966 1.00 0.00 C ATOM 963 C ASN A 65 -6.877 -2.220 -1.694 1.00 0.00 C ATOM 964 O ASN A 65 -6.603 -2.984 -0.768 1.00 0.00 O ATOM 965 CB ASN A 65 -6.649 -3.129 -4.014 1.00 0.00 C ATOM 966 CG ASN A 65 -8.119 -2.840 -4.252 1.00 0.00 C ATOM 967 OD1 ASN A 65 -8.964 -3.127 -3.404 1.00 0.00 O ATOM 968 ND2 ASN A 65 -8.429 -2.269 -5.410 1.00 0.00 N ATOM 0 H ASN A 65 -4.486 -3.598 -2.746 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.021 -1.181 -3.355 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.104 -3.025 -4.952 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.533 -4.163 -3.691 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.401 -2.050 -5.627 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.695 -2.049 -6.083 1.00 0.00 H new ATOM 975 N PHE A 66 -7.903 -1.377 -1.657 1.00 0.00 N ATOM 976 CA PHE A 66 -8.786 -1.298 -0.499 1.00 0.00 C ATOM 977 C PHE A 66 -10.250 -1.284 -0.932 1.00 0.00 C ATOM 978 O PHE A 66 -10.832 -0.223 -1.153 1.00 0.00 O ATOM 979 CB PHE A 66 -8.474 -0.046 0.323 1.00 0.00 C ATOM 980 CG PHE A 66 -7.096 -0.050 0.921 1.00 0.00 C ATOM 981 CD1 PHE A 66 -5.981 0.170 0.128 1.00 0.00 C ATOM 982 CD2 PHE A 66 -6.915 -0.275 2.276 1.00 0.00 C ATOM 983 CE1 PHE A 66 -4.712 0.167 0.675 1.00 0.00 C ATOM 984 CE2 PHE A 66 -5.648 -0.279 2.829 1.00 0.00 C ATOM 985 CZ PHE A 66 -4.545 -0.059 2.027 1.00 0.00 C ATOM 0 H PHE A 66 -8.144 -0.739 -2.415 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.615 -2.181 0.118 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.583 0.833 -0.313 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.208 0.046 1.123 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.105 0.346 -0.930 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.774 -0.449 2.908 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.852 0.341 0.046 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.521 -0.454 3.887 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.554 -0.064 2.456 1.00 0.00 H new ATOM 995 N SER A 67 -10.837 -2.470 -1.050 1.00 0.00 N ATOM 996 CA SER A 67 -12.231 -2.596 -1.460 1.00 0.00 C ATOM 997 C SER A 67 -13.064 -1.442 -0.911 1.00 0.00 C ATOM 998 O SER A 67 -13.854 -0.833 -1.634 1.00 0.00 O ATOM 999 CB SER A 67 -12.807 -3.930 -0.981 1.00 0.00 C ATOM 1000 OG SER A 67 -14.126 -4.118 -1.463 1.00 0.00 O ATOM 0 H SER A 67 -10.369 -3.358 -0.868 1.00 0.00 H new ATOM 0 HA SER A 67 -12.269 -2.563 -2.549 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.172 -4.747 -1.322 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.807 -3.960 0.109 1.00 0.00 H new ATOM 0 HG SER A 67 -14.471 -4.978 -1.144 1.00 0.00 H new ATOM 1006 N HIS A 68 -12.883 -1.148 0.372 1.00 0.00 N ATOM 1007 CA HIS A 68 -13.618 -0.067 1.020 1.00 0.00 C ATOM 1008 C HIS A 68 -12.881 0.423 2.263 1.00 0.00 C ATOM 1009 O HIS A 68 -12.858 -0.255 3.291 1.00 0.00 O ATOM 1010 CB HIS A 68 -15.025 -0.532 1.397 1.00 0.00 C ATOM 1011 CG HIS A 68 -15.044 -1.555 2.491 1.00 0.00 C ATOM 1012 ND1 HIS A 68 -15.336 -1.437 3.807 1.00 0.00 N flip ATOM 1013 CD2 HIS A 68 -14.737 -2.883 2.285 1.00 0.00 C flip ATOM 1014 CE1 HIS A 68 -15.201 -2.684 4.367 1.00 0.00 C flip ATOM 1015 NE2 HIS A 68 -14.839 -3.538 3.427 1.00 0.00 N flip ATOM 0 H HIS A 68 -12.234 -1.643 0.984 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.694 0.761 0.315 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.613 0.331 1.708 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.511 -0.947 0.514 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.457 -3.319 1.338 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.364 -2.927 5.407 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -14.667 -4.535 3.560 1.00 0.00 H new ATOM 1024 N VAL A 69 -12.279 1.603 2.161 1.00 0.00 N ATOM 1025 CA VAL A 69 -11.541 2.183 3.277 1.00 0.00 C ATOM 1026 C VAL A 69 -12.486 2.637 4.384 1.00 0.00 C ATOM 1027 O VAL A 69 -13.696 2.741 4.179 1.00 0.00 O ATOM 1028 CB VAL A 69 -10.687 3.382 2.823 1.00 0.00 C ATOM 1029 CG1 VAL A 69 -9.560 2.921 1.912 1.00 0.00 C ATOM 1030 CG2 VAL A 69 -11.555 4.420 2.127 1.00 0.00 C ATOM 0 H VAL A 69 -12.288 2.176 1.317 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.884 1.403 3.661 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.243 3.844 3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.968 3.782 1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.924 2.217 2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.980 2.433 1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.936 5.260 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.029 3.972 1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.323 4.773 2.815 1.00 0.00 H new ATOM 1040 N LEU A 70 -11.926 2.906 5.559 1.00 0.00 N ATOM 1041 CA LEU A 70 -12.719 3.350 6.700 1.00 0.00 C ATOM 1042 C LEU A 70 -12.024 4.492 7.435 1.00 0.00 C ATOM 1043 O LEU A 70 -10.804 4.640 7.360 1.00 0.00 O ATOM 1044 CB LEU A 70 -12.963 2.184 7.660 1.00 0.00 C ATOM 1045 CG LEU A 70 -13.188 0.817 7.013 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -12.697 -0.294 7.928 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -14.660 0.622 6.676 1.00 0.00 C ATOM 0 H LEU A 70 -10.927 2.824 5.746 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.677 3.713 6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.109 2.109 8.333 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.832 2.421 8.274 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.615 0.776 6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.865 -1.259 7.451 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.632 -0.164 8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.242 -0.256 8.871 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.802 -0.356 6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.253 0.684 7.588 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.980 1.399 5.982 1.00 0.00 H new ATOM 1059 N LEU A 71 -12.808 5.295 8.145 1.00 0.00 N ATOM 1060 CA LEU A 71 -12.269 6.423 8.896 1.00 0.00 C ATOM 1061 C LEU A 71 -11.136 5.974 9.814 1.00 0.00 C ATOM 1062 O LEU A 71 -10.240 6.754 10.138 1.00 0.00 O ATOM 1063 CB LEU A 71 -13.373 7.089 9.718 1.00 0.00 C ATOM 1064 CG LEU A 71 -14.421 7.871 8.925 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -15.511 8.391 9.849 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -13.769 9.019 8.168 1.00 0.00 C ATOM 0 H LEU A 71 -13.820 5.186 8.216 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.870 7.145 8.183 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.884 6.318 10.295 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.907 7.767 10.433 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.878 7.197 8.201 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.248 8.945 9.267 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.998 7.552 10.346 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.070 9.050 10.597 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.529 9.565 7.609 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.285 9.693 8.875 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.025 8.623 7.477 1.00 0.00 H new ATOM 1078 N SER A 72 -11.182 4.712 10.228 1.00 0.00 N ATOM 1079 CA SER A 72 -10.161 4.159 11.111 1.00 0.00 C ATOM 1080 C SER A 72 -8.914 3.772 10.322 1.00 0.00 C ATOM 1081 O SER A 72 -7.799 3.813 10.843 1.00 0.00 O ATOM 1082 CB SER A 72 -10.706 2.939 11.856 1.00 0.00 C ATOM 1083 OG SER A 72 -11.488 3.331 12.971 1.00 0.00 O ATOM 0 H SER A 72 -11.915 4.053 9.966 1.00 0.00 H new ATOM 0 HA SER A 72 -9.889 4.926 11.836 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.310 2.335 11.179 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.878 2.313 12.190 1.00 0.00 H new ATOM 0 HG SER A 72 -11.826 2.534 13.430 1.00 0.00 H new ATOM 1089 N ASP A 73 -9.111 3.396 9.063 1.00 0.00 N ATOM 1090 CA ASP A 73 -8.003 3.001 8.201 1.00 0.00 C ATOM 1091 C ASP A 73 -7.051 4.171 7.969 1.00 0.00 C ATOM 1092 O ASP A 73 -5.909 3.983 7.549 1.00 0.00 O ATOM 1093 CB ASP A 73 -8.530 2.484 6.861 1.00 0.00 C ATOM 1094 CG ASP A 73 -9.362 1.226 7.014 1.00 0.00 C ATOM 1095 OD1 ASP A 73 -9.503 0.742 8.156 1.00 0.00 O ATOM 1096 OD2 ASP A 73 -9.874 0.726 5.990 1.00 0.00 O ATOM 0 H ASP A 73 -10.027 3.356 8.617 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.454 2.202 8.700 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.132 3.259 6.387 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.690 2.282 6.197 1.00 0.00 H new ATOM 1101 N THR A 74 -7.530 5.380 8.245 1.00 0.00 N ATOM 1102 CA THR A 74 -6.723 6.581 8.066 1.00 0.00 C ATOM 1103 C THR A 74 -5.420 6.490 8.850 1.00 0.00 C ATOM 1104 O THR A 74 -5.427 6.292 10.064 1.00 0.00 O ATOM 1105 CB THR A 74 -7.488 7.843 8.507 1.00 0.00 C ATOM 1106 OG1 THR A 74 -8.680 7.992 7.727 1.00 0.00 O ATOM 1107 CG2 THR A 74 -6.620 9.083 8.356 1.00 0.00 C ATOM 0 H THR A 74 -8.473 5.553 8.593 1.00 0.00 H new ATOM 0 HA THR A 74 -6.499 6.655 7.002 1.00 0.00 H new ATOM 0 HB THR A 74 -7.754 7.730 9.558 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.463 7.815 8.289 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.182 9.961 8.674 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.728 8.980 8.974 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.327 9.197 7.312 1.00 0.00 H new ATOM 1115 N GLY A 75 -4.300 6.638 8.148 1.00 0.00 N ATOM 1116 CA GLY A 75 -3.004 6.570 8.797 1.00 0.00 C ATOM 1117 C GLY A 75 -1.858 6.576 7.804 1.00 0.00 C ATOM 1118 O GLY A 75 -2.003 7.055 6.680 1.00 0.00 O ATOM 0 H GLY A 75 -4.268 6.804 7.142 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.896 7.415 9.477 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.951 5.665 9.403 1.00 0.00 H new ATOM 1122 N VAL A 76 -0.713 6.043 8.221 1.00 0.00 N ATOM 1123 CA VAL A 76 0.463 5.990 7.361 1.00 0.00 C ATOM 1124 C VAL A 76 0.785 4.555 6.959 1.00 0.00 C ATOM 1125 O VAL A 76 0.896 3.671 7.810 1.00 0.00 O ATOM 1126 CB VAL A 76 1.693 6.606 8.052 1.00 0.00 C ATOM 1127 CG1 VAL A 76 2.974 6.144 7.375 1.00 0.00 C ATOM 1128 CG2 VAL A 76 1.598 8.125 8.053 1.00 0.00 C ATOM 0 H VAL A 76 -0.576 5.642 9.149 1.00 0.00 H new ATOM 0 HA VAL A 76 0.229 6.571 6.469 1.00 0.00 H new ATOM 0 HB VAL A 76 1.715 6.265 9.087 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.832 6.590 7.877 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.044 5.058 7.432 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.965 6.453 6.330 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.476 8.544 8.545 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.550 8.487 7.026 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.700 8.433 8.588 1.00 0.00 H new ATOM 1138 N TYR A 77 0.934 4.329 5.659 1.00 0.00 N ATOM 1139 CA TYR A 77 1.242 3.000 5.144 1.00 0.00 C ATOM 1140 C TYR A 77 2.658 2.950 4.578 1.00 0.00 C ATOM 1141 O TYR A 77 3.036 3.771 3.742 1.00 0.00 O ATOM 1142 CB TYR A 77 0.235 2.603 4.063 1.00 0.00 C ATOM 1143 CG TYR A 77 -1.170 2.407 4.587 1.00 0.00 C ATOM 1144 CD1 TYR A 77 -1.991 3.495 4.855 1.00 0.00 C ATOM 1145 CD2 TYR A 77 -1.676 1.133 4.815 1.00 0.00 C ATOM 1146 CE1 TYR A 77 -3.275 3.320 5.334 1.00 0.00 C ATOM 1147 CE2 TYR A 77 -2.959 0.949 5.293 1.00 0.00 C ATOM 1148 CZ TYR A 77 -3.754 2.045 5.551 1.00 0.00 C ATOM 1149 OH TYR A 77 -5.033 1.867 6.028 1.00 0.00 O ATOM 0 H TYR A 77 0.846 5.049 4.942 1.00 0.00 H new ATOM 0 HA TYR A 77 1.175 2.293 5.971 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.222 3.372 3.291 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.569 1.680 3.588 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.619 4.495 4.686 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.056 0.272 4.615 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.900 4.177 5.537 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.337 -0.048 5.464 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.336 2.689 6.466 1.00 0.00 H new ATOM 1159 N THR A 78 3.439 1.979 5.041 1.00 0.00 N ATOM 1160 CA THR A 78 4.814 1.819 4.584 1.00 0.00 C ATOM 1161 C THR A 78 5.002 0.491 3.860 1.00 0.00 C ATOM 1162 O THR A 78 4.724 -0.573 4.414 1.00 0.00 O ATOM 1163 CB THR A 78 5.809 1.897 5.757 1.00 0.00 C ATOM 1164 OG1 THR A 78 5.691 3.163 6.416 1.00 0.00 O ATOM 1165 CG2 THR A 78 7.237 1.706 5.269 1.00 0.00 C ATOM 0 H THR A 78 3.142 1.291 5.733 1.00 0.00 H new ATOM 0 HA THR A 78 5.014 2.638 3.893 1.00 0.00 H new ATOM 0 HB THR A 78 5.572 1.098 6.459 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.326 3.204 7.162 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.922 1.765 6.115 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.331 0.730 4.793 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.483 2.486 4.548 1.00 0.00 H new ATOM 1173 N CYS A 79 5.475 0.560 2.621 1.00 0.00 N ATOM 1174 CA CYS A 79 5.700 -0.639 1.821 1.00 0.00 C ATOM 1175 C CYS A 79 7.102 -1.193 2.054 1.00 0.00 C ATOM 1176 O CYS A 79 8.059 -0.437 2.217 1.00 0.00 O ATOM 1177 CB CYS A 79 5.501 -0.331 0.336 1.00 0.00 C ATOM 1178 SG CYS A 79 5.938 -1.696 -0.766 1.00 0.00 S ATOM 0 H CYS A 79 5.710 1.433 2.148 1.00 0.00 H new ATOM 0 HA CYS A 79 4.975 -1.393 2.129 1.00 0.00 H new ATOM 0 HB2 CYS A 79 4.458 -0.062 0.168 1.00 0.00 H new ATOM 0 HB3 CYS A 79 6.101 0.540 0.073 1.00 0.00 H new ATOM 0 HG CYS A 79 5.560 -1.414 -1.977 1.00 0.00 H new ATOM 1184 N MET A 80 7.214 -2.517 2.071 1.00 0.00 N ATOM 1185 CA MET A 80 8.499 -3.172 2.285 1.00 0.00 C ATOM 1186 C MET A 80 8.879 -4.030 1.083 1.00 0.00 C ATOM 1187 O MET A 80 8.030 -4.695 0.489 1.00 0.00 O ATOM 1188 CB MET A 80 8.451 -4.035 3.548 1.00 0.00 C ATOM 1189 CG MET A 80 8.072 -3.260 4.799 1.00 0.00 C ATOM 1190 SD MET A 80 8.461 -4.156 6.315 1.00 0.00 S ATOM 1191 CE MET A 80 6.883 -4.927 6.668 1.00 0.00 C ATOM 0 H MET A 80 6.431 -3.157 1.939 1.00 0.00 H new ATOM 0 HA MET A 80 9.257 -2.398 2.410 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.734 -4.842 3.399 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.426 -4.498 3.699 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.595 -2.304 4.802 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.005 -3.039 4.776 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.532 -4.605 7.648 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.157 -4.635 5.909 1.00 0.00 H new ATOM 0 HE3 MET A 80 6.998 -6.011 6.662 1.00 0.00 H new ATOM 1201 N VAL A 81 10.160 -4.010 0.728 1.00 0.00 N ATOM 1202 CA VAL A 81 10.652 -4.787 -0.403 1.00 0.00 C ATOM 1203 C VAL A 81 11.892 -5.588 -0.022 1.00 0.00 C ATOM 1204 O VAL A 81 12.961 -5.025 0.215 1.00 0.00 O ATOM 1205 CB VAL A 81 10.989 -3.881 -1.602 1.00 0.00 C ATOM 1206 CG1 VAL A 81 11.399 -4.717 -2.805 1.00 0.00 C ATOM 1207 CG2 VAL A 81 9.806 -2.987 -1.942 1.00 0.00 C ATOM 0 H VAL A 81 10.876 -3.464 1.208 1.00 0.00 H new ATOM 0 HA VAL A 81 9.853 -5.472 -0.687 1.00 0.00 H new ATOM 0 HB VAL A 81 11.830 -3.244 -1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.633 -4.059 -3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.278 -5.311 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.580 -5.381 -3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.061 -2.353 -2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.944 -3.605 -2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.564 -2.362 -1.083 1.00 0.00 H new ATOM 1217 N THR A 82 11.743 -6.908 0.036 1.00 0.00 N ATOM 1218 CA THR A 82 12.849 -7.788 0.389 1.00 0.00 C ATOM 1219 C THR A 82 13.376 -8.528 -0.835 1.00 0.00 C ATOM 1220 O THR A 82 12.659 -9.317 -1.451 1.00 0.00 O ATOM 1221 CB THR A 82 12.431 -8.817 1.456 1.00 0.00 C ATOM 1222 OG1 THR A 82 11.034 -9.108 1.335 1.00 0.00 O ATOM 1223 CG2 THR A 82 12.725 -8.296 2.855 1.00 0.00 C ATOM 0 H THR A 82 10.866 -7.391 -0.157 1.00 0.00 H new ATOM 0 HA THR A 82 13.638 -7.155 0.795 1.00 0.00 H new ATOM 0 HB THR A 82 13.007 -9.728 1.296 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.776 -9.764 2.016 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.421 -9.040 3.592 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.793 -8.102 2.954 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.172 -7.372 3.023 1.00 0.00 H new ATOM 1231 N ASN A 83 14.632 -8.269 -1.183 1.00 0.00 N ATOM 1232 CA ASN A 83 15.254 -8.912 -2.335 1.00 0.00 C ATOM 1233 C ASN A 83 16.627 -9.468 -1.971 1.00 0.00 C ATOM 1234 O ASN A 83 17.121 -9.258 -0.863 1.00 0.00 O ATOM 1235 CB ASN A 83 15.384 -7.918 -3.491 1.00 0.00 C ATOM 1236 CG ASN A 83 14.126 -7.095 -3.690 1.00 0.00 C ATOM 1237 OD1 ASN A 83 13.048 -7.466 -3.226 1.00 0.00 O ATOM 1238 ND2 ASN A 83 14.259 -5.969 -4.382 1.00 0.00 N ATOM 0 H ASN A 83 15.239 -7.619 -0.684 1.00 0.00 H new ATOM 0 HA ASN A 83 14.617 -9.740 -2.646 1.00 0.00 H new ATOM 0 HB2 ASN A 83 16.225 -7.251 -3.300 1.00 0.00 H new ATOM 0 HB3 ASN A 83 15.609 -8.460 -4.409 1.00 0.00 H new ATOM 0 HD21 ASN A 83 13.448 -5.373 -4.547 1.00 0.00 H new ATOM 0 HD22 ASN A 83 15.172 -5.700 -4.748 1.00 0.00 H new ATOM 1245 N VAL A 84 17.240 -10.178 -2.913 1.00 0.00 N ATOM 1246 CA VAL A 84 18.558 -10.764 -2.694 1.00 0.00 C ATOM 1247 C VAL A 84 19.649 -9.702 -2.759 1.00 0.00 C ATOM 1248 O VAL A 84 20.712 -9.851 -2.157 1.00 0.00 O ATOM 1249 CB VAL A 84 18.863 -11.863 -3.729 1.00 0.00 C ATOM 1250 CG1 VAL A 84 18.847 -11.289 -5.137 1.00 0.00 C ATOM 1251 CG2 VAL A 84 20.201 -12.521 -3.427 1.00 0.00 C ATOM 0 H VAL A 84 16.845 -10.362 -3.835 1.00 0.00 H new ATOM 0 HA VAL A 84 18.546 -11.207 -1.698 1.00 0.00 H new ATOM 0 HB VAL A 84 18.086 -12.625 -3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.065 -12.080 -5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.864 -10.868 -5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 84 19.601 -10.507 -5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.401 -13.295 -4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 84 20.991 -11.771 -3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.170 -12.969 -2.434 1.00 0.00 H new ATOM 1261 N ALA A 85 19.378 -8.628 -3.494 1.00 0.00 N ATOM 1262 CA ALA A 85 20.336 -7.539 -3.637 1.00 0.00 C ATOM 1263 C ALA A 85 20.292 -6.607 -2.430 1.00 0.00 C ATOM 1264 O ALA A 85 21.319 -6.322 -1.815 1.00 0.00 O ATOM 1265 CB ALA A 85 20.065 -6.761 -4.916 1.00 0.00 C ATOM 0 H ALA A 85 18.503 -8.489 -3.999 1.00 0.00 H new ATOM 0 HA ALA A 85 21.335 -7.972 -3.693 1.00 0.00 H new ATOM 0 HB1 ALA A 85 20.788 -5.951 -5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 85 20.155 -7.428 -5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 85 19.058 -6.346 -4.883 1.00 0.00 H new ATOM 1271 N GLY A 86 19.095 -6.135 -2.096 1.00 0.00 N ATOM 1272 CA GLY A 86 18.939 -5.239 -0.965 1.00 0.00 C ATOM 1273 C GLY A 86 17.511 -5.187 -0.459 1.00 0.00 C ATOM 1274 O GLY A 86 16.673 -5.993 -0.861 1.00 0.00 O ATOM 0 H GLY A 86 18.230 -6.357 -2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.596 -5.561 -0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.256 -4.237 -1.253 1.00 0.00 H new ATOM 1278 N ASN A 87 17.234 -4.236 0.427 1.00 0.00 N ATOM 1279 CA ASN A 87 15.897 -4.083 0.991 1.00 0.00 C ATOM 1280 C ASN A 87 15.467 -2.619 0.979 1.00 0.00 C ATOM 1281 O ASN A 87 16.131 -1.761 1.561 1.00 0.00 O ATOM 1282 CB ASN A 87 15.859 -4.626 2.420 1.00 0.00 C ATOM 1283 CG ASN A 87 16.572 -5.958 2.552 1.00 0.00 C ATOM 1284 OD1 ASN A 87 16.813 -6.647 1.560 1.00 0.00 O ATOM 1285 ND2 ASN A 87 16.913 -6.328 3.781 1.00 0.00 N ATOM 0 H ASN A 87 17.917 -3.560 0.770 1.00 0.00 H new ATOM 0 HA ASN A 87 15.201 -4.653 0.375 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.319 -3.902 3.093 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.822 -4.740 2.735 1.00 0.00 H new ATOM 0 HD21 ASN A 87 17.394 -7.215 3.932 1.00 0.00 H new ATOM 0 HD22 ASN A 87 16.693 -5.726 4.574 1.00 0.00 H new ATOM 1292 N SER A 88 14.350 -2.342 0.314 1.00 0.00 N ATOM 1293 CA SER A 88 13.831 -0.982 0.224 1.00 0.00 C ATOM 1294 C SER A 88 12.406 -0.907 0.763 1.00 0.00 C ATOM 1295 O SER A 88 11.728 -1.925 0.899 1.00 0.00 O ATOM 1296 CB SER A 88 13.867 -0.495 -1.226 1.00 0.00 C ATOM 1297 OG SER A 88 12.988 -1.251 -2.040 1.00 0.00 O ATOM 0 H SER A 88 13.787 -3.041 -0.170 1.00 0.00 H new ATOM 0 HA SER A 88 14.465 -0.337 0.832 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.589 0.558 -1.266 1.00 0.00 H new ATOM 0 HB3 SER A 88 14.883 -0.572 -1.614 1.00 0.00 H new ATOM 0 HG SER A 88 13.337 -1.284 -2.955 1.00 0.00 H new ATOM 1303 N ASN A 89 11.958 0.307 1.067 1.00 0.00 N ATOM 1304 CA ASN A 89 10.613 0.516 1.591 1.00 0.00 C ATOM 1305 C ASN A 89 10.130 1.934 1.300 1.00 0.00 C ATOM 1306 O ASN A 89 10.922 2.875 1.267 1.00 0.00 O ATOM 1307 CB ASN A 89 10.585 0.255 3.098 1.00 0.00 C ATOM 1308 CG ASN A 89 11.635 1.055 3.844 1.00 0.00 C ATOM 1309 OD1 ASN A 89 11.986 2.165 3.443 1.00 0.00 O ATOM 1310 ND2 ASN A 89 12.143 0.493 4.934 1.00 0.00 N ATOM 0 H ASN A 89 12.506 1.160 0.960 1.00 0.00 H new ATOM 0 HA ASN A 89 9.943 -0.186 1.095 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.598 0.503 3.488 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.743 -0.808 3.283 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.854 0.983 5.476 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.822 -0.429 5.229 1.00 0.00 H new ATOM 1317 N ALA A 90 8.826 2.077 1.090 1.00 0.00 N ATOM 1318 CA ALA A 90 8.237 3.379 0.804 1.00 0.00 C ATOM 1319 C ALA A 90 7.196 3.753 1.854 1.00 0.00 C ATOM 1320 O ALA A 90 6.885 2.961 2.744 1.00 0.00 O ATOM 1321 CB ALA A 90 7.613 3.384 -0.584 1.00 0.00 C ATOM 0 H ALA A 90 8.157 1.307 1.113 1.00 0.00 H new ATOM 0 HA ALA A 90 9.032 4.124 0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.177 4.363 -0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.380 3.170 -1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.834 2.623 -0.636 1.00 0.00 H new ATOM 1327 N SER A 91 6.662 4.965 1.746 1.00 0.00 N ATOM 1328 CA SER A 91 5.659 5.446 2.689 1.00 0.00 C ATOM 1329 C SER A 91 4.562 6.223 1.968 1.00 0.00 C ATOM 1330 O SER A 91 4.784 6.776 0.891 1.00 0.00 O ATOM 1331 CB SER A 91 6.312 6.332 3.752 1.00 0.00 C ATOM 1332 OG SER A 91 7.353 5.642 4.422 1.00 0.00 O ATOM 0 H SER A 91 6.907 5.632 1.015 1.00 0.00 H new ATOM 0 HA SER A 91 5.208 4.580 3.174 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.710 7.233 3.285 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.561 6.653 4.474 1.00 0.00 H new ATOM 0 HG SER A 91 7.755 6.230 5.095 1.00 0.00 H new ATOM 1338 N ALA A 92 3.378 6.260 2.570 1.00 0.00 N ATOM 1339 CA ALA A 92 2.247 6.970 1.987 1.00 0.00 C ATOM 1340 C ALA A 92 1.106 7.103 2.990 1.00 0.00 C ATOM 1341 O ALA A 92 0.652 6.112 3.562 1.00 0.00 O ATOM 1342 CB ALA A 92 1.767 6.258 0.730 1.00 0.00 C ATOM 0 H ALA A 92 3.177 5.806 3.461 1.00 0.00 H new ATOM 0 HA ALA A 92 2.579 7.973 1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.922 6.800 0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.577 6.220 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.458 5.243 0.982 1.00 0.00 H new ATOM 1348 N TYR A 93 0.648 8.332 3.198 1.00 0.00 N ATOM 1349 CA TYR A 93 -0.438 8.594 4.135 1.00 0.00 C ATOM 1350 C TYR A 93 -1.790 8.551 3.429 1.00 0.00 C ATOM 1351 O TYR A 93 -1.974 9.167 2.378 1.00 0.00 O ATOM 1352 CB TYR A 93 -0.244 9.955 4.806 1.00 0.00 C ATOM 1353 CG TYR A 93 -1.270 10.256 5.875 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -2.590 10.534 5.540 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -0.920 10.260 7.219 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -3.530 10.810 6.514 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -1.855 10.533 8.200 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.158 10.808 7.842 1.00 0.00 C ATOM 1359 OH TYR A 93 -4.092 11.081 8.815 1.00 0.00 O ATOM 0 H TYR A 93 1.012 9.163 2.731 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.421 7.815 4.897 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.751 9.994 5.249 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.285 10.735 4.045 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.886 10.534 4.501 1.00 0.00 H new ATOM 0 HD2 TYR A 93 0.100 10.046 7.503 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.551 11.026 6.237 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.567 10.531 9.241 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.667 11.038 9.697 1.00 0.00 H new ATOM 1369 N LEU A 94 -2.732 7.820 4.013 1.00 0.00 N ATOM 1370 CA LEU A 94 -4.069 7.696 3.442 1.00 0.00 C ATOM 1371 C LEU A 94 -5.074 8.541 4.217 1.00 0.00 C ATOM 1372 O LEU A 94 -5.117 8.500 5.446 1.00 0.00 O ATOM 1373 CB LEU A 94 -4.510 6.231 3.441 1.00 0.00 C ATOM 1374 CG LEU A 94 -5.946 5.963 2.988 1.00 0.00 C ATOM 1375 CD1 LEU A 94 -6.036 5.967 1.470 1.00 0.00 C ATOM 1376 CD2 LEU A 94 -6.444 4.640 3.550 1.00 0.00 C ATOM 0 H LEU A 94 -2.595 7.304 4.882 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.033 8.060 2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.835 5.670 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.388 5.835 4.449 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.583 6.760 3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.065 5.775 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.721 6.939 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.387 5.191 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.467 4.466 3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.805 3.831 3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.417 4.674 4.639 1.00 0.00 H new ATOM 1388 N ASN A 95 -5.881 9.306 3.490 1.00 0.00 N ATOM 1389 CA ASN A 95 -6.888 10.161 4.110 1.00 0.00 C ATOM 1390 C ASN A 95 -8.293 9.638 3.828 1.00 0.00 C ATOM 1391 O ASN A 95 -8.671 9.433 2.675 1.00 0.00 O ATOM 1392 CB ASN A 95 -6.753 11.596 3.599 1.00 0.00 C ATOM 1393 CG ASN A 95 -8.072 12.344 3.620 1.00 0.00 C ATOM 1394 OD1 ASN A 95 -8.907 12.042 4.607 1.00 0.00 O flip ATOM 1395 ND2 ASN A 95 -8.337 13.183 2.759 1.00 0.00 N flip ATOM 0 H ASN A 95 -5.858 9.352 2.471 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.725 10.150 5.188 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.026 12.130 4.211 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.363 11.581 2.581 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.665 13.383 2.018 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.229 13.678 2.786 1.00 0.00 H new ATOM 1402 N VAL A 96 -9.064 9.426 4.890 1.00 0.00 N ATOM 1403 CA VAL A 96 -10.428 8.929 4.758 1.00 0.00 C ATOM 1404 C VAL A 96 -11.431 9.915 5.346 1.00 0.00 C ATOM 1405 O VAL A 96 -11.299 10.342 6.493 1.00 0.00 O ATOM 1406 CB VAL A 96 -10.599 7.565 5.453 1.00 0.00 C ATOM 1407 CG1 VAL A 96 -11.949 6.956 5.109 1.00 0.00 C ATOM 1408 CG2 VAL A 96 -9.467 6.625 5.066 1.00 0.00 C ATOM 0 H VAL A 96 -8.767 9.591 5.852 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.620 8.811 3.691 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.561 7.719 6.531 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.052 5.993 5.609 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.744 7.624 5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.020 6.814 4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.603 5.666 5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.471 6.475 3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.514 7.059 5.368 1.00 0.00 H new ATOM 1418 N SER A 97 -12.435 10.273 4.551 1.00 0.00 N ATOM 1419 CA SER A 97 -13.460 11.213 4.992 1.00 0.00 C ATOM 1420 C SER A 97 -14.851 10.599 4.863 1.00 0.00 C ATOM 1421 O SER A 97 -15.203 10.045 3.821 1.00 0.00 O ATOM 1422 CB SER A 97 -13.383 12.504 4.175 1.00 0.00 C ATOM 1423 OG SER A 97 -12.508 13.440 4.782 1.00 0.00 O ATOM 0 H SER A 97 -12.560 9.927 3.600 1.00 0.00 H new ATOM 0 HA SER A 97 -13.279 11.444 6.042 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.037 12.280 3.166 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.378 12.939 4.082 1.00 0.00 H new ATOM 0 HG SER A 97 -12.475 14.256 4.240 1.00 0.00 H new ATOM 1429 N SER A 98 -15.637 10.701 5.929 1.00 0.00 N ATOM 1430 CA SER A 98 -16.988 10.153 5.938 1.00 0.00 C ATOM 1431 C SER A 98 -17.794 10.675 4.753 1.00 0.00 C ATOM 1432 O SER A 98 -17.663 11.833 4.360 1.00 0.00 O ATOM 1433 CB SER A 98 -17.697 10.507 7.247 1.00 0.00 C ATOM 1434 OG SER A 98 -18.205 11.830 7.210 1.00 0.00 O ATOM 0 H SER A 98 -15.362 11.158 6.798 1.00 0.00 H new ATOM 0 HA SER A 98 -16.914 9.069 5.855 1.00 0.00 H new ATOM 0 HB2 SER A 98 -18.513 9.806 7.424 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.002 10.404 8.080 1.00 0.00 H new ATOM 0 HG SER A 98 -18.655 12.031 8.057 1.00 0.00 H new