USER MOD reduce.3.24.130724 H: found=0, std=0, add=1183, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1185 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 176 THR OG1 : rot 108:sc= 0.527 USER MOD Set 1.2: A 178 HIS : no HE2:sc= -0.394 K(o=0.13,f=-3.3) USER MOD Set 2.1: A 170 GLN : amide:sc= -2.09! X(o=-0.9!,f=-0.83) USER MOD Set 2.2: A 173 THR OG1 : rot 22:sc= 1.19 USER MOD Set 3.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 143 ASN : amide:sc=-0.00826 K(o=-0.0083,f=-1.3) USER MOD Set 4.1: A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 123 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 89 SER OG : rot 180:sc= 0.0034 USER MOD Set 5.2: A 92 ASN : amide:sc= -0.0587 X(o=-0.055,f=0.38) USER MOD Set 6.1: A 34 ASN :FLIP amide:sc= -0.15 F(o=-0.85,f=-0.33) USER MOD Set 6.2: A 35 GLN : amide:sc= -0.182 X(o=-0.33,f=-0.37) USER MOD Single : A 7 CYS SG : rot 180:sc= -0.18 USER MOD Single : A 15 SER OG : rot 180:sc= -1.17 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -118:sc= 0.495 USER MOD Single : A 39 CYS SG : rot 29:sc= -0.0817 USER MOD Single : A 40 HIS : no HD1:sc= -0.896 K(o=-0.9,f=-2.4) USER MOD Single : A 43 THR OG1 : rot 157:sc= 1.19 USER MOD Single : A 45 GLN : amide:sc= -0.951 X(o=-0.95,f=-0.78) USER MOD Single : A 55 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.032) USER MOD Single : A 57 HIS : no HD1:sc=-0.000938 X(o=-0.00094,f=-0.34) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HE2:sc= -3.12! C(o=-4.8!,f=-3.1!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -2.71 K(o=-2.7,f=-3.2!) USER MOD Single : A 84 SER OG : rot 56:sc= 0.509 USER MOD Single : A 86 GLN : amide:sc= -0.0942 X(o=-0.094,f=-0.094) USER MOD Single : A 99 CYS SG : rot -67:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0961 K(o=-0.096,f=-2.3!) USER MOD Single : A 106 SER OG : rot -47:sc= 0.485 USER MOD Single : A 109 GLN : amide:sc= -0.826 K(o=-0.83,f=-1.6!) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 HIS :FLIP no HE2:sc= 0.109 F(o=-0.7,f=0.11) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 133 GLN : amide:sc= -0.611 K(o=-0.61,f=-2.5) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= -0.593 X(o=-0.59,f=-0.14) USER MOD Single : A 136 THR OG1 : rot 27:sc= 0.314 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 GLN : amide:sc= -0.161 K(o=-0.16,f=-1.3!) USER MOD Single : A 164 SER OG : rot 180:sc= 0 USER MOD Single : A 174 SER OG : rot -117:sc= -0.666 USER MOD ----------------------------------------------------------------- ATOM 63 N ARG A 5 3.444 16.795 -6.358 1.00 0.00 N ATOM 64 CA ARG A 5 3.373 16.679 -4.902 1.00 0.00 C ATOM 65 C ARG A 5 4.054 15.397 -4.410 1.00 0.00 C ATOM 66 O ARG A 5 3.669 14.833 -3.385 1.00 0.00 O ATOM 67 CB ARG A 5 1.912 16.712 -4.435 1.00 0.00 C ATOM 68 CG ARG A 5 1.722 17.408 -3.096 1.00 0.00 C ATOM 69 CD ARG A 5 1.753 16.420 -1.938 1.00 0.00 C ATOM 70 NE ARG A 5 2.997 16.502 -1.171 1.00 0.00 N ATOM 71 CZ ARG A 5 3.239 17.423 -0.233 1.00 0.00 C ATOM 72 NH1 ARG A 5 2.330 18.350 0.057 1.00 0.00 N ATOM 73 NH2 ARG A 5 4.396 17.415 0.422 1.00 0.00 N ATOM 0 HA ARG A 5 3.904 17.529 -4.474 1.00 0.00 H new ATOM 0 HB2 ARG A 5 1.309 17.219 -5.188 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.539 15.691 -4.362 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.505 18.154 -2.959 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.771 17.941 -3.094 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.908 16.612 -1.277 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.633 15.408 -2.324 1.00 0.00 H new ATOM 0 HE ARG A 5 3.724 15.814 -1.364 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.438 18.362 -0.438 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.525 19.048 0.775 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.098 16.706 0.209 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.582 18.117 1.138 1.00 0.00 H new ATOM 87 N ASP A 6 5.073 14.947 -5.141 1.00 0.00 N ATOM 88 CA ASP A 6 5.808 13.739 -4.768 1.00 0.00 C ATOM 89 C ASP A 6 6.576 13.944 -3.468 1.00 0.00 C ATOM 90 O ASP A 6 7.042 15.046 -3.170 1.00 0.00 O ATOM 91 CB ASP A 6 6.771 13.312 -5.886 1.00 0.00 C ATOM 92 CG ASP A 6 7.703 14.422 -6.363 1.00 0.00 C ATOM 93 OD1 ASP A 6 7.568 15.576 -5.903 1.00 0.00 O ATOM 94 OD2 ASP A 6 8.569 14.134 -7.212 1.00 0.00 O ATOM 0 H ASP A 6 5.408 15.399 -5.992 1.00 0.00 H new ATOM 0 HA ASP A 6 5.077 12.945 -4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 6 7.372 12.474 -5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 6 6.189 12.951 -6.734 1.00 0.00 H new ATOM 99 N CYS A 7 6.689 12.871 -2.691 1.00 0.00 N ATOM 100 CA CYS A 7 7.384 12.916 -1.411 1.00 0.00 C ATOM 101 C CYS A 7 8.586 11.965 -1.399 1.00 0.00 C ATOM 102 O CYS A 7 8.502 10.843 -1.905 1.00 0.00 O ATOM 103 CB CYS A 7 6.412 12.554 -0.283 1.00 0.00 C ATOM 104 SG CYS A 7 6.325 13.783 1.039 1.00 0.00 S ATOM 0 H CYS A 7 6.306 11.956 -2.928 1.00 0.00 H new ATOM 0 HA CYS A 7 7.757 13.929 -1.258 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.416 12.419 -0.705 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.709 11.596 0.145 1.00 0.00 H new ATOM 0 HG CYS A 7 5.477 13.389 1.942 1.00 0.00 H new ATOM 110 N PRO A 8 9.721 12.407 -0.815 1.00 0.00 N ATOM 111 CA PRO A 8 10.943 11.592 -0.733 1.00 0.00 C ATOM 112 C PRO A 8 10.814 10.446 0.270 1.00 0.00 C ATOM 113 O PRO A 8 10.388 10.652 1.408 1.00 0.00 O ATOM 114 CB PRO A 8 12.004 12.590 -0.264 1.00 0.00 C ATOM 115 CG PRO A 8 11.244 13.629 0.486 1.00 0.00 C ATOM 116 CD PRO A 8 9.903 13.734 -0.189 1.00 0.00 C ATOM 0 HA PRO A 8 11.176 11.113 -1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.747 12.108 0.371 1.00 0.00 H new ATOM 0 HB3 PRO A 8 12.540 13.024 -1.108 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.132 13.350 1.534 1.00 0.00 H new ATOM 0 HG3 PRO A 8 11.767 14.585 0.465 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.110 13.951 0.527 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.890 14.532 -0.931 1.00 0.00 H new ATOM 124 N LEU A 9 11.187 9.241 -0.159 1.00 0.00 N ATOM 125 CA LEU A 9 11.118 8.062 0.700 1.00 0.00 C ATOM 126 C LEU A 9 12.507 7.461 0.905 1.00 0.00 C ATOM 127 O LEU A 9 13.205 7.151 -0.061 1.00 0.00 O ATOM 128 CB LEU A 9 10.174 7.015 0.102 1.00 0.00 C ATOM 129 CG LEU A 9 9.286 6.290 1.117 1.00 0.00 C ATOM 130 CD1 LEU A 9 8.260 7.246 1.711 1.00 0.00 C ATOM 131 CD2 LEU A 9 8.597 5.098 0.466 1.00 0.00 C ATOM 0 H LEU A 9 11.540 9.057 -1.098 1.00 0.00 H new ATOM 0 HA LEU A 9 10.727 8.372 1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.535 7.502 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 9 10.769 6.274 -0.432 1.00 0.00 H new ATOM 0 HG LEU A 9 9.917 5.922 1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.639 6.712 2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.774 8.065 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.632 7.646 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.970 4.594 1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.979 5.443 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.349 4.403 0.093 1.00 0.00 H new ATOM 143 N PHE A 10 12.903 7.310 2.171 1.00 0.00 N ATOM 144 CA PHE A 10 14.214 6.757 2.519 1.00 0.00 C ATOM 145 C PHE A 10 15.341 7.594 1.910 1.00 0.00 C ATOM 146 O PHE A 10 16.318 7.051 1.388 1.00 0.00 O ATOM 147 CB PHE A 10 14.332 5.299 2.059 1.00 0.00 C ATOM 148 CG PHE A 10 13.314 4.382 2.676 1.00 0.00 C ATOM 149 CD1 PHE A 10 13.166 4.313 4.052 1.00 0.00 C ATOM 150 CD2 PHE A 10 12.505 3.592 1.878 1.00 0.00 C ATOM 151 CE1 PHE A 10 12.228 3.474 4.619 1.00 0.00 C ATOM 152 CE2 PHE A 10 11.564 2.750 2.439 1.00 0.00 C ATOM 153 CZ PHE A 10 11.427 2.691 3.812 1.00 0.00 C ATOM 0 H PHE A 10 12.331 7.565 2.976 1.00 0.00 H new ATOM 0 HA PHE A 10 14.309 6.788 3.604 1.00 0.00 H new ATOM 0 HB2 PHE A 10 14.231 5.261 0.974 1.00 0.00 H new ATOM 0 HB3 PHE A 10 15.330 4.932 2.299 1.00 0.00 H new ATOM 0 HD1 PHE A 10 13.791 4.922 4.688 1.00 0.00 H new ATOM 0 HD2 PHE A 10 12.610 3.634 0.804 1.00 0.00 H new ATOM 0 HE1 PHE A 10 12.121 3.430 5.693 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.937 2.140 1.806 1.00 0.00 H new ATOM 0 HZ PHE A 10 10.694 2.033 4.254 1.00 0.00 H new ATOM 163 N GLY A 11 15.198 8.915 1.984 1.00 0.00 N ATOM 164 CA GLY A 11 16.213 9.805 1.446 1.00 0.00 C ATOM 165 C GLY A 11 15.968 10.211 -0.003 1.00 0.00 C ATOM 166 O GLY A 11 16.724 11.012 -0.552 1.00 0.00 O ATOM 0 H GLY A 11 14.397 9.385 2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.260 10.703 2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 11 17.185 9.318 1.518 1.00 0.00 H new ATOM 170 N GLY A 12 14.919 9.664 -0.622 1.00 0.00 N ATOM 171 CA GLY A 12 14.613 9.999 -2.005 1.00 0.00 C ATOM 172 C GLY A 12 14.744 8.817 -2.956 1.00 0.00 C ATOM 173 O GLY A 12 14.934 9.009 -4.159 1.00 0.00 O ATOM 0 H GLY A 12 14.279 8.997 -0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.597 10.390 -2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 12 15.279 10.796 -2.334 1.00 0.00 H new ATOM 177 N ALA A 13 14.633 7.596 -2.429 1.00 0.00 N ATOM 178 CA ALA A 13 14.734 6.392 -3.254 1.00 0.00 C ATOM 179 C ALA A 13 13.439 6.150 -4.028 1.00 0.00 C ATOM 180 O ALA A 13 13.462 5.653 -5.155 1.00 0.00 O ATOM 181 CB ALA A 13 15.077 5.181 -2.396 1.00 0.00 C ATOM 0 H ALA A 13 14.474 7.416 -1.438 1.00 0.00 H new ATOM 0 HA ALA A 13 15.537 6.544 -3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 13 15.148 4.296 -3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 13 16.031 5.347 -1.897 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.298 5.032 -1.649 1.00 0.00 H new ATOM 187 N PHE A 14 12.312 6.512 -3.414 1.00 0.00 N ATOM 188 CA PHE A 14 11.006 6.348 -4.038 1.00 0.00 C ATOM 189 C PHE A 14 10.239 7.666 -4.025 1.00 0.00 C ATOM 190 O PHE A 14 10.415 8.487 -3.121 1.00 0.00 O ATOM 191 CB PHE A 14 10.200 5.268 -3.313 1.00 0.00 C ATOM 192 CG PHE A 14 10.401 3.888 -3.872 1.00 0.00 C ATOM 193 CD1 PHE A 14 10.165 3.625 -5.214 1.00 0.00 C ATOM 194 CD2 PHE A 14 10.820 2.853 -3.054 1.00 0.00 C ATOM 195 CE1 PHE A 14 10.349 2.356 -5.726 1.00 0.00 C ATOM 196 CE2 PHE A 14 11.005 1.582 -3.561 1.00 0.00 C ATOM 197 CZ PHE A 14 10.767 1.332 -4.899 1.00 0.00 C ATOM 0 H PHE A 14 12.282 6.922 -2.481 1.00 0.00 H new ATOM 0 HA PHE A 14 11.157 6.040 -5.073 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.476 5.267 -2.259 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.141 5.521 -3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.834 4.421 -5.865 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.004 3.042 -2.007 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.166 2.164 -6.773 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.335 0.784 -2.912 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.908 0.338 -5.297 1.00 0.00 H new ATOM 207 N SER A 15 9.384 7.859 -5.027 1.00 0.00 N ATOM 208 CA SER A 15 8.583 9.073 -5.128 1.00 0.00 C ATOM 209 C SER A 15 7.119 8.760 -4.860 1.00 0.00 C ATOM 210 O SER A 15 6.473 8.050 -5.636 1.00 0.00 O ATOM 211 CB SER A 15 8.750 9.714 -6.505 1.00 0.00 C ATOM 212 OG SER A 15 8.878 11.121 -6.399 1.00 0.00 O ATOM 0 H SER A 15 9.229 7.189 -5.780 1.00 0.00 H new ATOM 0 HA SER A 15 8.931 9.782 -4.377 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.631 9.301 -6.998 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.891 9.470 -7.130 1.00 0.00 H new ATOM 0 HG SER A 15 8.985 11.508 -7.293 1.00 0.00 H new ATOM 218 N ALA A 16 6.614 9.287 -3.748 1.00 0.00 N ATOM 219 CA ALA A 16 5.229 9.061 -3.345 1.00 0.00 C ATOM 220 C ALA A 16 4.363 10.285 -3.586 1.00 0.00 C ATOM 221 O ALA A 16 4.572 11.340 -2.986 1.00 0.00 O ATOM 222 CB ALA A 16 5.164 8.644 -1.884 1.00 0.00 C ATOM 0 H ALA A 16 7.146 9.876 -3.107 1.00 0.00 H new ATOM 0 HA ALA A 16 4.835 8.254 -3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.125 8.479 -1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.730 7.723 -1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.591 9.431 -1.262 1.00 0.00 H new ATOM 228 N ILE A 17 3.377 10.129 -4.460 1.00 0.00 N ATOM 229 CA ILE A 17 2.460 11.212 -4.782 1.00 0.00 C ATOM 230 C ILE A 17 1.328 11.273 -3.758 1.00 0.00 C ATOM 231 O ILE A 17 0.685 10.262 -3.470 1.00 0.00 O ATOM 232 CB ILE A 17 1.864 11.036 -6.193 1.00 0.00 C ATOM 233 CG1 ILE A 17 2.967 10.722 -7.212 1.00 0.00 C ATOM 234 CG2 ILE A 17 1.100 12.281 -6.606 1.00 0.00 C ATOM 235 CD1 ILE A 17 2.716 9.463 -8.015 1.00 0.00 C ATOM 0 H ILE A 17 3.192 9.259 -4.960 1.00 0.00 H new ATOM 0 HA ILE A 17 3.026 12.143 -4.755 1.00 0.00 H new ATOM 0 HB ILE A 17 1.170 10.196 -6.169 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.067 11.564 -7.896 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.917 10.623 -6.687 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.686 12.139 -7.604 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.290 12.462 -5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.775 13.137 -6.611 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.538 9.307 -8.714 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.646 8.609 -7.341 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.783 9.565 -8.569 1.00 0.00 H new ATOM 247 N LEU A 18 1.098 12.461 -3.207 1.00 0.00 N ATOM 248 CA LEU A 18 0.051 12.659 -2.204 1.00 0.00 C ATOM 249 C LEU A 18 -0.844 13.843 -2.573 1.00 0.00 C ATOM 250 O LEU A 18 -0.367 14.849 -3.097 1.00 0.00 O ATOM 251 CB LEU A 18 0.678 12.904 -0.823 1.00 0.00 C ATOM 252 CG LEU A 18 1.077 11.650 -0.032 1.00 0.00 C ATOM 253 CD1 LEU A 18 -0.133 10.764 0.229 1.00 0.00 C ATOM 254 CD2 LEU A 18 2.165 10.871 -0.760 1.00 0.00 C ATOM 0 H LEU A 18 1.623 13.305 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.558 11.756 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.565 13.524 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.027 13.479 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 18 1.476 11.974 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.176 9.882 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.874 11.320 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.569 10.455 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.430 9.987 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.799 10.565 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.045 11.503 -0.882 1.00 0.00 H new ATOM 266 N PRO A 19 -2.161 13.744 -2.297 1.00 0.00 N ATOM 267 CA PRO A 19 -3.118 14.820 -2.597 1.00 0.00 C ATOM 268 C PRO A 19 -2.829 16.091 -1.798 1.00 0.00 C ATOM 269 O PRO A 19 -1.993 16.089 -0.890 1.00 0.00 O ATOM 270 CB PRO A 19 -4.474 14.234 -2.180 1.00 0.00 C ATOM 271 CG PRO A 19 -4.256 12.763 -2.081 1.00 0.00 C ATOM 272 CD PRO A 19 -2.822 12.590 -1.669 1.00 0.00 C ATOM 0 HA PRO A 19 -3.072 15.116 -3.645 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.804 14.647 -1.227 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.246 14.468 -2.913 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.930 12.316 -1.350 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.451 12.273 -3.035 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.709 12.600 -0.585 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.410 11.645 -2.024 1.00 0.00 H new ATOM 280 N MET A 20 -3.529 17.172 -2.134 1.00 0.00 N ATOM 281 CA MET A 20 -3.349 18.445 -1.439 1.00 0.00 C ATOM 282 C MET A 20 -3.996 18.396 -0.057 1.00 0.00 C ATOM 283 O MET A 20 -5.222 18.412 0.067 1.00 0.00 O ATOM 284 CB MET A 20 -3.948 19.597 -2.256 1.00 0.00 C ATOM 285 CG MET A 20 -3.162 19.929 -3.513 1.00 0.00 C ATOM 286 SD MET A 20 -3.233 21.682 -3.933 1.00 0.00 S ATOM 287 CE MET A 20 -1.519 22.153 -3.712 1.00 0.00 C ATOM 0 H MET A 20 -4.224 17.193 -2.880 1.00 0.00 H new ATOM 0 HA MET A 20 -2.279 18.619 -1.322 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.970 19.340 -2.535 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.003 20.486 -1.628 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.122 19.634 -3.375 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.552 19.344 -4.346 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.401 23.213 -3.935 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.220 21.964 -2.681 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.891 21.569 -4.385 1.00 0.00 H new ATOM 297 N GLY A 21 -3.161 18.334 0.982 1.00 0.00 N ATOM 298 CA GLY A 21 -3.664 18.278 2.346 1.00 0.00 C ATOM 299 C GLY A 21 -3.127 17.094 3.144 1.00 0.00 C ATOM 300 O GLY A 21 -3.523 16.891 4.293 1.00 0.00 O ATOM 0 H GLY A 21 -2.144 18.322 0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.400 19.202 2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.752 18.226 2.322 1.00 0.00 H new ATOM 304 N ALA A 22 -2.227 16.308 2.541 1.00 0.00 N ATOM 305 CA ALA A 22 -1.646 15.143 3.209 1.00 0.00 C ATOM 306 C ALA A 22 -0.841 15.545 4.448 1.00 0.00 C ATOM 307 O ALA A 22 -0.456 16.706 4.601 1.00 0.00 O ATOM 308 CB ALA A 22 -0.770 14.363 2.238 1.00 0.00 C ATOM 0 H ALA A 22 -1.887 16.460 1.591 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.466 14.506 3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.343 13.499 2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.372 14.027 1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.034 15.005 1.877 1.00 0.00 H new ATOM 314 N ILE A 23 -0.594 14.573 5.331 1.00 0.00 N ATOM 315 CA ILE A 23 0.159 14.819 6.559 1.00 0.00 C ATOM 316 C ILE A 23 0.718 13.515 7.139 1.00 0.00 C ATOM 317 O ILE A 23 0.087 12.459 7.038 1.00 0.00 O ATOM 318 CB ILE A 23 -0.724 15.520 7.622 1.00 0.00 C ATOM 319 CG1 ILE A 23 0.083 15.830 8.891 1.00 0.00 C ATOM 320 CG2 ILE A 23 -1.935 14.663 7.963 1.00 0.00 C ATOM 321 CD1 ILE A 23 1.260 16.755 8.660 1.00 0.00 C ATOM 0 H ILE A 23 -0.906 13.609 5.216 1.00 0.00 H new ATOM 0 HA ILE A 23 0.991 15.474 6.300 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.072 16.463 7.200 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.580 16.279 9.630 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.447 14.894 9.316 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.542 15.173 8.711 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.529 14.498 7.064 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.602 13.703 8.358 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.779 16.926 9.603 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.946 16.300 7.945 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.903 17.706 8.265 1.00 0.00 H new ATOM 333 N ASP A 24 1.899 13.603 7.753 1.00 0.00 N ATOM 334 CA ASP A 24 2.541 12.441 8.359 1.00 0.00 C ATOM 335 C ASP A 24 2.193 12.350 9.841 1.00 0.00 C ATOM 336 O ASP A 24 2.595 13.204 10.632 1.00 0.00 O ATOM 337 CB ASP A 24 4.062 12.521 8.188 1.00 0.00 C ATOM 338 CG ASP A 24 4.704 11.170 7.920 1.00 0.00 C ATOM 339 OD1 ASP A 24 4.009 10.260 7.420 1.00 0.00 O ATOM 340 OD2 ASP A 24 5.907 11.024 8.213 1.00 0.00 O ATOM 0 H ASP A 24 2.429 14.470 7.843 1.00 0.00 H new ATOM 0 HA ASP A 24 2.174 11.547 7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 24 4.294 13.196 7.365 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.500 12.953 9.088 1.00 0.00 H new ATOM 345 N VAL A 25 1.439 11.313 10.212 1.00 0.00 N ATOM 346 CA VAL A 25 1.033 11.112 11.599 1.00 0.00 C ATOM 347 C VAL A 25 2.219 10.780 12.513 1.00 0.00 C ATOM 348 O VAL A 25 2.071 10.759 13.735 1.00 0.00 O ATOM 349 CB VAL A 25 -0.024 9.998 11.721 1.00 0.00 C ATOM 350 CG1 VAL A 25 -1.386 10.499 11.262 1.00 0.00 C ATOM 351 CG2 VAL A 25 0.393 8.760 10.938 1.00 0.00 C ATOM 0 H VAL A 25 1.098 10.600 9.568 1.00 0.00 H new ATOM 0 HA VAL A 25 0.602 12.059 11.924 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.100 9.717 12.771 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.119 9.698 11.356 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.690 11.343 11.880 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.325 10.815 10.221 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.371 7.990 11.041 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.509 9.017 9.885 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.340 8.386 11.326 1.00 0.00 H new ATOM 361 N SER A 26 3.392 10.527 11.923 1.00 0.00 N ATOM 362 CA SER A 26 4.589 10.207 12.699 1.00 0.00 C ATOM 363 C SER A 26 4.910 11.315 13.708 1.00 0.00 C ATOM 364 O SER A 26 5.415 11.042 14.797 1.00 0.00 O ATOM 365 CB SER A 26 5.782 9.978 11.769 1.00 0.00 C ATOM 366 OG SER A 26 6.222 11.195 11.185 1.00 0.00 O ATOM 0 H SER A 26 3.535 10.538 10.913 1.00 0.00 H new ATOM 0 HA SER A 26 4.392 9.290 13.255 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.600 9.524 12.328 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.504 9.275 10.984 1.00 0.00 H new ATOM 0 HG SER A 26 6.123 11.145 10.211 1.00 0.00 H new ATOM 372 N ASP A 27 4.604 12.563 13.340 1.00 0.00 N ATOM 373 CA ASP A 27 4.850 13.707 14.220 1.00 0.00 C ATOM 374 C ASP A 27 3.973 13.639 15.476 1.00 0.00 C ATOM 375 O ASP A 27 4.313 14.214 16.510 1.00 0.00 O ATOM 376 CB ASP A 27 4.595 15.022 13.474 1.00 0.00 C ATOM 377 CG ASP A 27 5.606 16.097 13.827 1.00 0.00 C ATOM 378 OD1 ASP A 27 6.800 15.919 13.502 1.00 0.00 O ATOM 379 OD2 ASP A 27 5.205 17.116 14.428 1.00 0.00 O ATOM 0 H ASP A 27 4.187 12.805 12.441 1.00 0.00 H new ATOM 0 HA ASP A 27 5.895 13.670 14.529 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.625 14.838 12.400 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.592 15.380 13.708 1.00 0.00 H new ATOM 384 N LEU A 28 2.842 12.937 15.373 1.00 0.00 N ATOM 385 CA LEU A 28 1.912 12.793 16.492 1.00 0.00 C ATOM 386 C LEU A 28 2.196 11.518 17.301 1.00 0.00 C ATOM 387 O LEU A 28 1.950 11.480 18.508 1.00 0.00 O ATOM 388 CB LEU A 28 0.471 12.777 15.969 1.00 0.00 C ATOM 389 CG LEU A 28 -0.623 12.996 17.021 1.00 0.00 C ATOM 390 CD1 LEU A 28 -0.395 14.298 17.777 1.00 0.00 C ATOM 391 CD2 LEU A 28 -1.998 12.995 16.365 1.00 0.00 C ATOM 0 H LEU A 28 2.549 12.458 14.522 1.00 0.00 H new ATOM 0 HA LEU A 28 2.049 13.645 17.158 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.373 13.548 15.205 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.292 11.819 15.480 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.578 12.175 17.737 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.184 14.432 18.518 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.572 14.263 18.279 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.410 15.133 17.076 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.764 13.152 17.125 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.050 13.796 15.627 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.166 12.037 15.873 1.00 0.00 H new ATOM 403 N ARG A 29 2.707 10.477 16.635 1.00 0.00 N ATOM 404 CA ARG A 29 3.014 9.208 17.305 1.00 0.00 C ATOM 405 C ARG A 29 4.165 8.471 16.609 1.00 0.00 C ATOM 406 O ARG A 29 4.404 8.668 15.419 1.00 0.00 O ATOM 407 CB ARG A 29 1.769 8.316 17.338 1.00 0.00 C ATOM 408 CG ARG A 29 1.067 8.205 15.993 1.00 0.00 C ATOM 409 CD ARG A 29 0.038 7.088 15.990 1.00 0.00 C ATOM 410 NE ARG A 29 -1.319 7.592 16.206 1.00 0.00 N ATOM 411 CZ ARG A 29 -2.064 8.163 15.257 1.00 0.00 C ATOM 412 NH1 ARG A 29 -1.592 8.309 14.022 1.00 0.00 N ATOM 413 NH2 ARG A 29 -3.288 8.594 15.545 1.00 0.00 N ATOM 0 H ARG A 29 2.916 10.487 15.637 1.00 0.00 H new ATOM 0 HA ARG A 29 3.325 9.435 18.325 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.055 7.319 17.673 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.068 8.711 18.073 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.579 9.151 15.758 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.804 8.023 15.211 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.081 6.558 15.038 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.285 6.366 16.768 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.720 7.501 17.139 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.653 7.983 13.793 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.169 8.747 13.304 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.657 8.488 16.490 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.858 9.031 14.821 1.00 0.00 H new ATOM 427 N PRO A 30 4.895 7.605 17.347 1.00 0.00 N ATOM 428 CA PRO A 30 6.028 6.837 16.796 1.00 0.00 C ATOM 429 C PRO A 30 5.609 5.869 15.684 1.00 0.00 C ATOM 430 O PRO A 30 4.648 5.113 15.840 1.00 0.00 O ATOM 431 CB PRO A 30 6.562 6.061 18.006 1.00 0.00 C ATOM 432 CG PRO A 30 5.429 6.024 18.975 1.00 0.00 C ATOM 433 CD PRO A 30 4.677 7.307 18.775 1.00 0.00 C ATOM 0 HA PRO A 30 6.764 7.493 16.332 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.872 5.055 17.723 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.433 6.554 18.437 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.787 5.162 18.793 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.793 5.940 19.999 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.618 7.193 19.006 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.059 8.102 19.415 1.00 0.00 H new ATOM 441 N VAL A 31 6.336 5.896 14.563 1.00 0.00 N ATOM 442 CA VAL A 31 6.037 5.021 13.425 1.00 0.00 C ATOM 443 C VAL A 31 7.325 4.518 12.761 1.00 0.00 C ATOM 444 O VAL A 31 8.263 5.292 12.557 1.00 0.00 O ATOM 445 CB VAL A 31 5.173 5.750 12.370 1.00 0.00 C ATOM 446 CG1 VAL A 31 4.711 4.788 11.285 1.00 0.00 C ATOM 447 CG2 VAL A 31 3.977 6.431 13.025 1.00 0.00 C ATOM 0 H VAL A 31 7.135 6.514 14.419 1.00 0.00 H new ATOM 0 HA VAL A 31 5.479 4.170 13.815 1.00 0.00 H new ATOM 0 HB VAL A 31 5.791 6.517 11.904 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.105 5.326 10.556 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.580 4.356 10.788 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.117 3.992 11.734 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.384 6.937 12.263 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.362 5.683 13.526 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.328 7.160 13.755 1.00 0.00 H new ATOM 457 N PRO A 32 7.389 3.211 12.416 1.00 0.00 N ATOM 458 CA PRO A 32 8.574 2.607 11.773 1.00 0.00 C ATOM 459 C PRO A 32 8.950 3.286 10.454 1.00 0.00 C ATOM 460 O PRO A 32 8.181 4.082 9.913 1.00 0.00 O ATOM 461 CB PRO A 32 8.146 1.159 11.511 1.00 0.00 C ATOM 462 CG PRO A 32 7.037 0.904 12.471 1.00 0.00 C ATOM 463 CD PRO A 32 6.321 2.215 12.629 1.00 0.00 C ATOM 0 HA PRO A 32 9.457 2.705 12.404 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.815 1.026 10.481 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.973 0.468 11.672 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.364 0.134 12.095 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.422 0.551 13.428 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.517 2.325 11.901 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.872 2.312 13.617 1.00 0.00 H new ATOM 471 N ASP A 33 10.138 2.955 9.941 1.00 0.00 N ATOM 472 CA ASP A 33 10.625 3.527 8.683 1.00 0.00 C ATOM 473 C ASP A 33 10.188 2.689 7.481 1.00 0.00 C ATOM 474 O ASP A 33 9.805 3.234 6.448 1.00 0.00 O ATOM 475 CB ASP A 33 12.155 3.658 8.699 1.00 0.00 C ATOM 476 CG ASP A 33 12.862 2.331 8.905 1.00 0.00 C ATOM 477 OD1 ASP A 33 12.852 1.823 10.045 1.00 0.00 O ATOM 478 OD2 ASP A 33 13.426 1.801 7.923 1.00 0.00 O ATOM 0 H ASP A 33 10.780 2.294 10.378 1.00 0.00 H new ATOM 0 HA ASP A 33 10.185 4.520 8.587 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.486 4.098 7.758 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.447 4.346 9.493 1.00 0.00 H new ATOM 483 N ASN A 34 10.247 1.362 7.621 1.00 0.00 N ATOM 484 CA ASN A 34 9.853 0.455 6.537 1.00 0.00 C ATOM 485 C ASN A 34 8.421 0.729 6.065 1.00 0.00 C ATOM 486 O ASN A 34 8.079 0.451 4.914 1.00 0.00 O ATOM 487 CB ASN A 34 9.989 -1.008 6.975 1.00 0.00 C ATOM 488 CG ASN A 34 9.324 -1.281 8.308 1.00 0.00 C ATOM 489 OD1 ASN A 34 8.007 -1.446 8.290 1.00 0.00 O flip ATOM 490 ND2 ASN A 34 9.985 -1.344 9.346 1.00 0.00 N flip ATOM 0 H ASN A 34 10.562 0.892 8.470 1.00 0.00 H new ATOM 0 HA ASN A 34 10.527 0.639 5.700 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.549 -1.653 6.215 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.046 -1.267 7.040 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.996 -1.211 9.316 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.521 -1.529 10.235 1.00 0.00 H new ATOM 497 N GLN A 35 7.591 1.271 6.958 1.00 0.00 N ATOM 498 CA GLN A 35 6.202 1.575 6.626 1.00 0.00 C ATOM 499 C GLN A 35 5.923 3.072 6.696 1.00 0.00 C ATOM 500 O GLN A 35 6.683 3.835 7.295 1.00 0.00 O ATOM 501 CB GLN A 35 5.247 0.827 7.560 1.00 0.00 C ATOM 502 CG GLN A 35 5.648 0.878 9.030 1.00 0.00 C ATOM 503 CD GLN A 35 4.713 0.080 9.918 1.00 0.00 C ATOM 504 OE1 GLN A 35 4.969 -1.086 10.217 1.00 0.00 O ATOM 505 NE2 GLN A 35 3.620 0.705 10.346 1.00 0.00 N ATOM 0 H GLN A 35 7.858 1.507 7.914 1.00 0.00 H new ATOM 0 HA GLN A 35 6.034 1.244 5.601 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.247 1.247 7.452 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.190 -0.215 7.246 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.662 0.494 9.139 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.662 1.916 9.363 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.446 1.673 10.074 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.955 0.217 10.946 1.00 0.00 H new ATOM 514 N GLU A 36 4.811 3.474 6.081 1.00 0.00 N ATOM 515 CA GLU A 36 4.395 4.874 6.062 1.00 0.00 C ATOM 516 C GLU A 36 2.912 5.003 6.391 1.00 0.00 C ATOM 517 O GLU A 36 2.100 4.179 5.965 1.00 0.00 O ATOM 518 CB GLU A 36 4.673 5.495 4.690 1.00 0.00 C ATOM 519 CG GLU A 36 6.031 6.172 4.583 1.00 0.00 C ATOM 520 CD GLU A 36 7.167 5.194 4.333 1.00 0.00 C ATOM 521 OE1 GLU A 36 6.995 4.277 3.500 1.00 0.00 O ATOM 522 OE2 GLU A 36 8.231 5.348 4.968 1.00 0.00 O ATOM 0 H GLU A 36 4.179 2.844 5.587 1.00 0.00 H new ATOM 0 HA GLU A 36 4.970 5.406 6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.605 4.717 3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.895 6.226 4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.004 6.902 3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.229 6.722 5.503 1.00 0.00 H new ATOM 529 N VAL A 37 2.563 6.040 7.147 1.00 0.00 N ATOM 530 CA VAL A 37 1.174 6.279 7.526 1.00 0.00 C ATOM 531 C VAL A 37 0.796 7.741 7.295 1.00 0.00 C ATOM 532 O VAL A 37 1.166 8.618 8.079 1.00 0.00 O ATOM 533 CB VAL A 37 0.911 5.911 9.001 1.00 0.00 C ATOM 534 CG1 VAL A 37 -0.575 6.004 9.317 1.00 0.00 C ATOM 535 CG2 VAL A 37 1.439 4.515 9.315 1.00 0.00 C ATOM 0 H VAL A 37 3.223 6.728 7.509 1.00 0.00 H new ATOM 0 HA VAL A 37 0.557 5.638 6.896 1.00 0.00 H new ATOM 0 HB VAL A 37 1.444 6.624 9.630 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.742 5.741 10.362 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.922 7.022 9.139 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.127 5.316 8.677 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.242 4.278 10.361 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.940 3.785 8.677 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.513 4.482 9.132 1.00 0.00 H new ATOM 545 N PHE A 38 0.061 7.995 6.214 1.00 0.00 N ATOM 546 CA PHE A 38 -0.365 9.351 5.877 1.00 0.00 C ATOM 547 C PHE A 38 -1.856 9.540 6.152 1.00 0.00 C ATOM 548 O PHE A 38 -2.628 8.580 6.130 1.00 0.00 O ATOM 549 CB PHE A 38 -0.062 9.654 4.408 1.00 0.00 C ATOM 550 CG PHE A 38 1.359 10.085 4.166 1.00 0.00 C ATOM 551 CD1 PHE A 38 2.362 9.145 3.989 1.00 0.00 C ATOM 552 CD2 PHE A 38 1.688 11.429 4.114 1.00 0.00 C ATOM 553 CE1 PHE A 38 3.667 9.540 3.766 1.00 0.00 C ATOM 554 CE2 PHE A 38 2.992 11.830 3.892 1.00 0.00 C ATOM 555 CZ PHE A 38 3.983 10.883 3.718 1.00 0.00 C ATOM 0 H PHE A 38 -0.252 7.280 5.557 1.00 0.00 H new ATOM 0 HA PHE A 38 0.192 10.046 6.506 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.271 8.766 3.811 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.735 10.437 4.060 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.121 8.093 4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.917 12.173 4.248 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.440 8.798 3.629 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.236 12.881 3.855 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.003 11.193 3.545 1.00 0.00 H new ATOM 565 N CYS A 39 -2.253 10.786 6.416 1.00 0.00 N ATOM 566 CA CYS A 39 -3.650 11.102 6.700 1.00 0.00 C ATOM 567 C CYS A 39 -4.106 12.339 5.925 1.00 0.00 C ATOM 568 O CYS A 39 -3.296 13.199 5.575 1.00 0.00 O ATOM 569 CB CYS A 39 -3.840 11.315 8.205 1.00 0.00 C ATOM 570 SG CYS A 39 -5.540 11.689 8.696 1.00 0.00 S ATOM 0 H CYS A 39 -1.626 11.590 6.439 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.264 10.261 6.377 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.511 10.419 8.731 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.193 12.130 8.529 1.00 0.00 H new ATOM 0 HG CYS A 39 -6.365 11.143 7.853 1.00 0.00 H new ATOM 576 N HIS A 40 -5.410 12.418 5.662 1.00 0.00 N ATOM 577 CA HIS A 40 -5.986 13.545 4.932 1.00 0.00 C ATOM 578 C HIS A 40 -7.051 14.239 5.778 1.00 0.00 C ATOM 579 O HIS A 40 -8.230 13.899 5.699 1.00 0.00 O ATOM 580 CB HIS A 40 -6.604 13.070 3.611 1.00 0.00 C ATOM 581 CG HIS A 40 -5.645 12.325 2.735 1.00 0.00 C ATOM 582 ND1 HIS A 40 -5.902 11.066 2.237 1.00 0.00 N ATOM 583 CD2 HIS A 40 -4.421 12.669 2.270 1.00 0.00 C ATOM 584 CE1 HIS A 40 -4.878 10.666 1.506 1.00 0.00 C ATOM 585 NE2 HIS A 40 -3.965 11.620 1.510 1.00 0.00 N ATOM 0 H HIS A 40 -6.089 11.712 5.945 1.00 0.00 H new ATOM 0 HA HIS A 40 -5.187 14.254 4.714 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.458 12.428 3.829 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -6.985 13.934 3.066 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -3.900 13.596 2.461 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -4.800 9.719 0.992 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.067 11.584 1.027 1.00 0.00 H new ATOM 594 N PRO A 41 -6.644 15.224 6.602 1.00 0.00 N ATOM 595 CA PRO A 41 -7.568 15.968 7.472 1.00 0.00 C ATOM 596 C PRO A 41 -8.787 16.515 6.726 1.00 0.00 C ATOM 597 O PRO A 41 -9.845 16.718 7.323 1.00 0.00 O ATOM 598 CB PRO A 41 -6.706 17.117 7.999 1.00 0.00 C ATOM 599 CG PRO A 41 -5.314 16.596 7.952 1.00 0.00 C ATOM 600 CD PRO A 41 -5.250 15.686 6.757 1.00 0.00 C ATOM 0 HA PRO A 41 -7.986 15.330 8.250 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.816 18.009 7.383 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.992 17.393 9.014 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.596 17.411 7.860 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.069 16.056 8.867 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.901 16.213 5.869 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.567 14.853 6.923 1.00 0.00 H new ATOM 608 N VAL A 42 -8.632 16.758 5.423 1.00 0.00 N ATOM 609 CA VAL A 42 -9.721 17.287 4.602 1.00 0.00 C ATOM 610 C VAL A 42 -10.847 16.263 4.447 1.00 0.00 C ATOM 611 O VAL A 42 -11.981 16.509 4.858 1.00 0.00 O ATOM 612 CB VAL A 42 -9.218 17.705 3.201 1.00 0.00 C ATOM 613 CG1 VAL A 42 -10.319 18.413 2.423 1.00 0.00 C ATOM 614 CG2 VAL A 42 -7.982 18.587 3.313 1.00 0.00 C ATOM 0 H VAL A 42 -7.763 16.597 4.914 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.107 18.166 5.118 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.942 16.803 2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -9.944 18.699 1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.170 17.743 2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.632 19.305 2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.645 18.869 2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.226 19.485 3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.189 18.039 3.822 1.00 0.00 H new ATOM 624 N THR A 43 -10.524 15.119 3.845 1.00 0.00 N ATOM 625 CA THR A 43 -11.502 14.054 3.622 1.00 0.00 C ATOM 626 C THR A 43 -11.624 13.119 4.833 1.00 0.00 C ATOM 627 O THR A 43 -12.458 12.211 4.836 1.00 0.00 O ATOM 628 CB THR A 43 -11.112 13.241 2.381 1.00 0.00 C ATOM 629 OG1 THR A 43 -10.667 14.092 1.338 1.00 0.00 O ATOM 630 CG2 THR A 43 -12.241 12.391 1.834 1.00 0.00 C ATOM 0 H THR A 43 -9.588 14.905 3.501 1.00 0.00 H new ATOM 0 HA THR A 43 -12.472 14.527 3.470 1.00 0.00 H new ATOM 0 HB THR A 43 -10.314 12.578 2.716 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.091 13.587 0.727 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.893 11.844 0.958 1.00 0.00 H new ATOM 0 HG22 THR A 43 -12.567 11.684 2.597 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.076 13.032 1.553 1.00 0.00 H new ATOM 638 N ASP A 44 -10.784 13.332 5.853 1.00 0.00 N ATOM 639 CA ASP A 44 -10.792 12.498 7.055 1.00 0.00 C ATOM 640 C ASP A 44 -10.437 11.044 6.722 1.00 0.00 C ATOM 641 O ASP A 44 -10.843 10.115 7.425 1.00 0.00 O ATOM 642 CB ASP A 44 -12.159 12.565 7.746 1.00 0.00 C ATOM 643 CG ASP A 44 -12.043 12.539 9.256 1.00 0.00 C ATOM 644 OD1 ASP A 44 -11.517 13.518 9.828 1.00 0.00 O ATOM 645 OD2 ASP A 44 -12.478 11.542 9.870 1.00 0.00 O ATOM 0 H ASP A 44 -10.089 14.078 5.867 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.034 12.885 7.736 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.674 13.475 7.439 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.771 11.726 7.417 1.00 0.00 H new ATOM 650 N GLN A 45 -9.669 10.854 5.646 1.00 0.00 N ATOM 651 CA GLN A 45 -9.252 9.523 5.221 1.00 0.00 C ATOM 652 C GLN A 45 -7.856 9.201 5.756 1.00 0.00 C ATOM 653 O GLN A 45 -7.125 10.100 6.179 1.00 0.00 O ATOM 654 CB GLN A 45 -9.266 9.433 3.692 1.00 0.00 C ATOM 655 CG GLN A 45 -9.535 8.034 3.160 1.00 0.00 C ATOM 656 CD GLN A 45 -9.871 8.028 1.681 1.00 0.00 C ATOM 657 OE1 GLN A 45 -9.036 7.686 0.846 1.00 0.00 O ATOM 658 NE2 GLN A 45 -11.099 8.411 1.349 1.00 0.00 N ATOM 0 H GLN A 45 -9.325 11.610 5.054 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.953 8.793 5.626 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.027 10.111 3.305 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.306 9.779 3.309 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.659 7.409 3.332 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.359 7.589 3.718 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.761 8.687 2.074 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.380 8.429 0.369 1.00 0.00 H new ATOM 667 N SER A 46 -7.489 7.918 5.735 1.00 0.00 N ATOM 668 CA SER A 46 -6.179 7.488 6.221 1.00 0.00 C ATOM 669 C SER A 46 -5.598 6.387 5.329 1.00 0.00 C ATOM 670 O SER A 46 -6.288 5.427 4.984 1.00 0.00 O ATOM 671 CB SER A 46 -6.282 6.997 7.670 1.00 0.00 C ATOM 672 OG SER A 46 -5.115 6.284 8.056 1.00 0.00 O ATOM 0 H SER A 46 -8.079 7.162 5.388 1.00 0.00 H new ATOM 0 HA SER A 46 -5.507 8.345 6.186 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.428 7.848 8.335 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.156 6.355 7.778 1.00 0.00 H new ATOM 0 HG SER A 46 -5.207 5.984 8.984 1.00 0.00 H new ATOM 678 N LEU A 47 -4.323 6.542 4.963 1.00 0.00 N ATOM 679 CA LEU A 47 -3.640 5.569 4.111 1.00 0.00 C ATOM 680 C LEU A 47 -2.428 4.966 4.820 1.00 0.00 C ATOM 681 O LEU A 47 -1.730 5.653 5.568 1.00 0.00 O ATOM 682 CB LEU A 47 -3.200 6.234 2.803 1.00 0.00 C ATOM 683 CG LEU A 47 -4.163 6.058 1.624 1.00 0.00 C ATOM 684 CD1 LEU A 47 -5.553 6.567 1.980 1.00 0.00 C ATOM 685 CD2 LEU A 47 -3.630 6.775 0.392 1.00 0.00 C ATOM 0 H LEU A 47 -3.744 7.333 5.244 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.341 4.764 3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.064 7.300 2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.227 5.832 2.520 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.239 4.994 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.219 6.432 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.937 6.009 2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.499 7.626 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.325 6.640 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.524 7.838 0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.659 6.361 0.122 1.00 0.00 H new ATOM 697 N ILE A 48 -2.183 3.675 4.579 1.00 0.00 N ATOM 698 CA ILE A 48 -1.053 2.977 5.199 1.00 0.00 C ATOM 699 C ILE A 48 -0.212 2.233 4.159 1.00 0.00 C ATOM 700 O ILE A 48 -0.745 1.665 3.204 1.00 0.00 O ATOM 701 CB ILE A 48 -1.521 1.965 6.269 1.00 0.00 C ATOM 702 CG1 ILE A 48 -2.696 2.522 7.080 1.00 0.00 C ATOM 703 CG2 ILE A 48 -0.366 1.599 7.192 1.00 0.00 C ATOM 704 CD1 ILE A 48 -2.332 3.715 7.938 1.00 0.00 C ATOM 0 H ILE A 48 -2.750 3.094 3.961 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.446 3.747 5.674 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.862 1.065 5.757 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.495 2.808 6.396 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.091 1.733 7.720 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.710 0.885 7.941 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.439 1.152 6.608 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.001 2.497 7.689 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.213 4.054 8.482 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.555 3.430 8.647 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.965 4.521 7.303 1.00 0.00 H new ATOM 716 N VAL A 49 1.106 2.237 4.364 1.00 0.00 N ATOM 717 CA VAL A 49 2.043 1.558 3.467 1.00 0.00 C ATOM 718 C VAL A 49 3.011 0.688 4.269 1.00 0.00 C ATOM 719 O VAL A 49 3.771 1.201 5.090 1.00 0.00 O ATOM 720 CB VAL A 49 2.860 2.563 2.624 1.00 0.00 C ATOM 721 CG1 VAL A 49 3.693 1.838 1.577 1.00 0.00 C ATOM 722 CG2 VAL A 49 1.947 3.591 1.970 1.00 0.00 C ATOM 0 H VAL A 49 1.552 2.708 5.151 1.00 0.00 H new ATOM 0 HA VAL A 49 1.450 0.939 2.794 1.00 0.00 H new ATOM 0 HB VAL A 49 3.539 3.091 3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.260 2.565 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.382 1.152 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.035 1.276 0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.545 4.287 1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.236 3.084 1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.405 4.139 2.741 1.00 0.00 H new ATOM 732 N GLU A 50 2.976 -0.626 4.039 1.00 0.00 N ATOM 733 CA GLU A 50 3.851 -1.551 4.759 1.00 0.00 C ATOM 734 C GLU A 50 4.807 -2.283 3.817 1.00 0.00 C ATOM 735 O GLU A 50 4.381 -2.923 2.853 1.00 0.00 O ATOM 736 CB GLU A 50 3.016 -2.568 5.544 1.00 0.00 C ATOM 737 CG GLU A 50 2.977 -2.300 7.040 1.00 0.00 C ATOM 738 CD GLU A 50 1.854 -1.360 7.434 1.00 0.00 C ATOM 739 OE1 GLU A 50 0.681 -1.791 7.402 1.00 0.00 O ATOM 740 OE2 GLU A 50 2.146 -0.195 7.770 1.00 0.00 O ATOM 0 H GLU A 50 2.355 -1.071 3.364 1.00 0.00 H new ATOM 0 HA GLU A 50 4.451 -0.959 5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.997 -2.565 5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.419 -3.566 5.373 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.859 -3.244 7.572 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.930 -1.874 7.354 1.00 0.00 H new ATOM 747 N LEU A 51 6.106 -2.188 4.114 1.00 0.00 N ATOM 748 CA LEU A 51 7.134 -2.847 3.310 1.00 0.00 C ATOM 749 C LEU A 51 7.655 -4.096 4.020 1.00 0.00 C ATOM 750 O LEU A 51 8.063 -4.035 5.182 1.00 0.00 O ATOM 751 CB LEU A 51 8.293 -1.885 3.029 1.00 0.00 C ATOM 752 CG LEU A 51 9.397 -2.441 2.126 1.00 0.00 C ATOM 753 CD1 LEU A 51 8.979 -2.371 0.664 1.00 0.00 C ATOM 754 CD2 LEU A 51 10.702 -1.688 2.349 1.00 0.00 C ATOM 0 H LEU A 51 6.469 -1.660 4.907 1.00 0.00 H new ATOM 0 HA LEU A 51 6.685 -3.145 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.891 -0.982 2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.737 -1.589 3.979 1.00 0.00 H new ATOM 0 HG LEU A 51 9.558 -3.487 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.777 -2.771 0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.073 -2.958 0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.788 -1.334 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.474 -2.098 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.557 -0.632 2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.010 -1.794 3.389 1.00 0.00 H new ATOM 766 N LEU A 52 7.633 -5.227 3.314 1.00 0.00 N ATOM 767 CA LEU A 52 8.097 -6.496 3.875 1.00 0.00 C ATOM 768 C LEU A 52 8.960 -7.264 2.874 1.00 0.00 C ATOM 769 O LEU A 52 9.070 -6.881 1.708 1.00 0.00 O ATOM 770 CB LEU A 52 6.904 -7.357 4.293 1.00 0.00 C ATOM 771 CG LEU A 52 6.437 -7.167 5.739 1.00 0.00 C ATOM 772 CD1 LEU A 52 5.434 -6.025 5.829 1.00 0.00 C ATOM 773 CD2 LEU A 52 5.832 -8.455 6.279 1.00 0.00 C ATOM 0 H LEU A 52 7.299 -5.290 2.352 1.00 0.00 H new ATOM 0 HA LEU A 52 8.706 -6.270 4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.069 -7.140 3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.164 -8.405 4.147 1.00 0.00 H new ATOM 0 HG LEU A 52 7.303 -6.913 6.350 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.113 -5.904 6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.901 -5.103 5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.569 -6.250 5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.506 -8.301 7.308 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.977 -8.740 5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.579 -9.248 6.250 1.00 0.00 H new ATOM 785 N GLU A 53 9.565 -8.358 3.342 1.00 0.00 N ATOM 786 CA GLU A 53 10.413 -9.195 2.495 1.00 0.00 C ATOM 787 C GLU A 53 9.752 -10.547 2.228 1.00 0.00 C ATOM 788 O GLU A 53 9.219 -11.179 3.142 1.00 0.00 O ATOM 789 CB GLU A 53 11.784 -9.403 3.151 1.00 0.00 C ATOM 790 CG GLU A 53 12.893 -8.554 2.537 1.00 0.00 C ATOM 791 CD GLU A 53 14.287 -9.013 2.934 1.00 0.00 C ATOM 792 OE1 GLU A 53 14.488 -10.233 3.116 1.00 0.00 O ATOM 793 OE2 GLU A 53 15.181 -8.149 3.060 1.00 0.00 O ATOM 0 H GLU A 53 9.482 -8.684 4.305 1.00 0.00 H new ATOM 0 HA GLU A 53 10.549 -8.683 1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.707 -9.172 4.213 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.058 -10.455 3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 53 12.804 -8.581 1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.758 -7.516 2.842 1.00 0.00 H new ATOM 800 N LEU A 54 9.790 -10.979 0.965 1.00 0.00 N ATOM 801 CA LEU A 54 9.197 -12.255 0.557 1.00 0.00 C ATOM 802 C LEU A 54 9.779 -13.417 1.363 1.00 0.00 C ATOM 803 O LEU A 54 10.992 -13.493 1.572 1.00 0.00 O ATOM 804 CB LEU A 54 9.430 -12.490 -0.940 1.00 0.00 C ATOM 805 CG LEU A 54 8.162 -12.606 -1.788 1.00 0.00 C ATOM 806 CD1 LEU A 54 8.399 -12.040 -3.182 1.00 0.00 C ATOM 807 CD2 LEU A 54 7.706 -14.055 -1.869 1.00 0.00 C ATOM 0 H LEU A 54 10.228 -10.460 0.204 1.00 0.00 H new ATOM 0 HA LEU A 54 8.126 -12.207 0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.035 -11.671 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.013 -13.403 -1.061 1.00 0.00 H new ATOM 0 HG LEU A 54 7.373 -12.024 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.487 -12.131 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.679 -10.989 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.202 -12.594 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.803 -14.119 -2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.492 -14.659 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.496 -14.427 -0.866 1.00 0.00 H new ATOM 819 N GLN A 55 8.907 -14.320 1.814 1.00 0.00 N ATOM 820 CA GLN A 55 9.335 -15.475 2.598 1.00 0.00 C ATOM 821 C GLN A 55 8.577 -16.734 2.182 1.00 0.00 C ATOM 822 O GLN A 55 7.365 -16.691 1.958 1.00 0.00 O ATOM 823 CB GLN A 55 9.133 -15.208 4.092 1.00 0.00 C ATOM 824 CG GLN A 55 7.688 -14.913 4.479 1.00 0.00 C ATOM 825 CD GLN A 55 7.263 -15.639 5.742 1.00 0.00 C ATOM 826 OE1 GLN A 55 6.755 -15.029 6.681 1.00 0.00 O ATOM 827 NE2 GLN A 55 7.469 -16.954 5.773 1.00 0.00 N ATOM 0 H GLN A 55 7.902 -14.272 1.649 1.00 0.00 H new ATOM 0 HA GLN A 55 10.396 -15.637 2.406 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.480 -16.074 4.656 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.757 -14.365 4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.566 -13.839 4.623 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.030 -15.202 3.659 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.893 -17.423 4.973 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.202 -17.493 6.597 1.00 0.00 H new ATOM 836 N ALA A 56 9.305 -17.851 2.083 1.00 0.00 N ATOM 837 CA ALA A 56 8.722 -19.137 1.691 1.00 0.00 C ATOM 838 C ALA A 56 8.122 -19.065 0.286 1.00 0.00 C ATOM 839 O ALA A 56 8.781 -19.421 -0.690 1.00 0.00 O ATOM 840 CB ALA A 56 7.684 -19.591 2.710 1.00 0.00 C ATOM 0 H ALA A 56 10.307 -17.889 2.271 1.00 0.00 H new ATOM 0 HA ALA A 56 9.521 -19.878 1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.264 -20.548 2.400 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.156 -19.702 3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.888 -18.849 2.774 1.00 0.00 H new ATOM 846 N HIS A 57 6.877 -18.595 0.188 1.00 0.00 N ATOM 847 CA HIS A 57 6.201 -18.472 -1.102 1.00 0.00 C ATOM 848 C HIS A 57 4.956 -17.587 -0.993 1.00 0.00 C ATOM 849 O HIS A 57 3.961 -17.810 -1.684 1.00 0.00 O ATOM 850 CB HIS A 57 5.816 -19.855 -1.636 1.00 0.00 C ATOM 851 CG HIS A 57 4.945 -20.641 -0.703 1.00 0.00 C ATOM 852 ND1 HIS A 57 5.436 -21.322 0.391 1.00 0.00 N ATOM 853 CD2 HIS A 57 3.608 -20.854 -0.708 1.00 0.00 C ATOM 854 CE1 HIS A 57 4.439 -21.921 1.016 1.00 0.00 C ATOM 855 NE2 HIS A 57 3.320 -21.651 0.370 1.00 0.00 N ATOM 0 H HIS A 57 6.318 -18.294 0.986 1.00 0.00 H new ATOM 0 HA HIS A 57 6.894 -18.001 -1.799 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.299 -19.736 -2.588 1.00 0.00 H new ATOM 0 HB3 HIS A 57 6.724 -20.423 -1.836 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.900 -20.468 -1.427 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.525 -22.529 1.905 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.391 -21.982 0.631 1.00 0.00 H new ATOM 864 N VAL A 58 5.018 -16.583 -0.119 1.00 0.00 N ATOM 865 CA VAL A 58 3.899 -15.671 0.082 1.00 0.00 C ATOM 866 C VAL A 58 3.997 -14.477 -0.861 1.00 0.00 C ATOM 867 O VAL A 58 4.676 -13.492 -0.566 1.00 0.00 O ATOM 868 CB VAL A 58 3.834 -15.169 1.541 1.00 0.00 C ATOM 869 CG1 VAL A 58 2.563 -14.366 1.774 1.00 0.00 C ATOM 870 CG2 VAL A 58 3.922 -16.339 2.516 1.00 0.00 C ATOM 0 H VAL A 58 5.833 -16.383 0.460 1.00 0.00 H new ATOM 0 HA VAL A 58 2.987 -16.228 -0.135 1.00 0.00 H new ATOM 0 HB VAL A 58 4.687 -14.514 1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.535 -14.021 2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.548 -13.507 1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.694 -14.995 1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.875 -15.965 3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.091 -17.022 2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.864 -16.867 2.366 1.00 0.00 H new ATOM 880 N ARG A 59 3.313 -14.573 -2.001 1.00 0.00 N ATOM 881 CA ARG A 59 3.320 -13.503 -2.993 1.00 0.00 C ATOM 882 C ARG A 59 2.229 -13.715 -4.039 1.00 0.00 C ATOM 883 O ARG A 59 1.883 -14.852 -4.367 1.00 0.00 O ATOM 884 CB ARG A 59 4.696 -13.392 -3.667 1.00 0.00 C ATOM 885 CG ARG A 59 5.014 -14.522 -4.640 1.00 0.00 C ATOM 886 CD ARG A 59 5.272 -15.835 -3.915 1.00 0.00 C ATOM 887 NE ARG A 59 5.688 -16.897 -4.831 1.00 0.00 N ATOM 888 CZ ARG A 59 6.905 -16.978 -5.380 1.00 0.00 C ATOM 889 NH1 ARG A 59 7.826 -16.049 -5.127 1.00 0.00 N ATOM 890 NH2 ARG A 59 7.200 -17.989 -6.189 1.00 0.00 N ATOM 0 H ARG A 59 2.747 -15.382 -2.259 1.00 0.00 H new ATOM 0 HA ARG A 59 3.114 -12.567 -2.473 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.750 -12.443 -4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.464 -13.367 -2.894 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.184 -14.648 -5.335 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.889 -14.256 -5.233 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.043 -15.686 -3.159 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.367 -16.143 -3.391 1.00 0.00 H new ATOM 0 HE ARG A 59 5.008 -17.620 -5.065 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.606 -15.267 -4.510 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.751 -16.120 -5.550 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.499 -18.702 -6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.128 -18.052 -6.609 1.00 0.00 H new ATOM 904 N GLY A 60 1.694 -12.612 -4.555 1.00 0.00 N ATOM 905 CA GLY A 60 0.647 -12.688 -5.556 1.00 0.00 C ATOM 906 C GLY A 60 -0.740 -12.562 -4.955 1.00 0.00 C ATOM 907 O GLY A 60 -1.010 -11.635 -4.188 1.00 0.00 O ATOM 0 H GLY A 60 1.969 -11.664 -4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.794 -11.897 -6.292 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.725 -13.637 -6.087 1.00 0.00 H new ATOM 911 N GLU A 61 -1.620 -13.500 -5.305 1.00 0.00 N ATOM 912 CA GLU A 61 -2.993 -13.502 -4.799 1.00 0.00 C ATOM 913 C GLU A 61 -3.080 -14.161 -3.420 1.00 0.00 C ATOM 914 O GLU A 61 -3.948 -13.817 -2.615 1.00 0.00 O ATOM 915 CB GLU A 61 -3.919 -14.226 -5.781 1.00 0.00 C ATOM 916 CG GLU A 61 -5.389 -14.155 -5.396 1.00 0.00 C ATOM 917 CD GLU A 61 -5.931 -12.739 -5.421 1.00 0.00 C ATOM 918 OE1 GLU A 61 -6.206 -12.228 -6.528 1.00 0.00 O ATOM 919 OE2 GLU A 61 -6.077 -12.139 -4.336 1.00 0.00 O ATOM 0 H GLU A 61 -1.406 -14.270 -5.939 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.312 -12.464 -4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.791 -13.795 -6.774 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.619 -15.272 -5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.970 -14.774 -6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.520 -14.573 -4.398 1.00 0.00 H new ATOM 926 N ALA A 62 -2.175 -15.105 -3.149 1.00 0.00 N ATOM 927 CA ALA A 62 -2.151 -15.804 -1.862 1.00 0.00 C ATOM 928 C ALA A 62 -1.545 -14.920 -0.776 1.00 0.00 C ATOM 929 O ALA A 62 -1.911 -15.022 0.397 1.00 0.00 O ATOM 930 CB ALA A 62 -1.376 -17.111 -1.971 1.00 0.00 C ATOM 0 H ALA A 62 -1.450 -15.402 -3.803 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.180 -16.034 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.371 -17.613 -1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.851 -17.755 -2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.351 -16.902 -2.276 1.00 0.00 H new ATOM 936 N ALA A 63 -0.616 -14.050 -1.178 1.00 0.00 N ATOM 937 CA ALA A 63 0.044 -13.140 -0.248 1.00 0.00 C ATOM 938 C ALA A 63 -0.957 -12.172 0.379 1.00 0.00 C ATOM 939 O ALA A 63 -0.847 -11.832 1.559 1.00 0.00 O ATOM 940 CB ALA A 63 1.156 -12.375 -0.954 1.00 0.00 C ATOM 0 H ALA A 63 -0.305 -13.959 -2.145 1.00 0.00 H new ATOM 0 HA ALA A 63 0.483 -13.735 0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.639 -11.700 -0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.891 -13.079 -1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.735 -11.798 -1.777 1.00 0.00 H new ATOM 946 N ALA A 64 -1.936 -11.731 -0.416 1.00 0.00 N ATOM 947 CA ALA A 64 -2.959 -10.803 0.062 1.00 0.00 C ATOM 948 C ALA A 64 -3.742 -11.405 1.226 1.00 0.00 C ATOM 949 O ALA A 64 -3.843 -10.797 2.290 1.00 0.00 O ATOM 950 CB ALA A 64 -3.903 -10.418 -1.069 1.00 0.00 C ATOM 0 H ALA A 64 -2.040 -12.003 -1.394 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.457 -9.903 0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.658 -9.727 -0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.337 -9.939 -1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.391 -11.313 -1.456 1.00 0.00 H new ATOM 956 N ARG A 65 -4.287 -12.605 1.019 1.00 0.00 N ATOM 957 CA ARG A 65 -5.060 -13.291 2.056 1.00 0.00 C ATOM 958 C ARG A 65 -4.204 -13.542 3.300 1.00 0.00 C ATOM 959 O ARG A 65 -4.688 -13.424 4.426 1.00 0.00 O ATOM 960 CB ARG A 65 -5.615 -14.619 1.526 1.00 0.00 C ATOM 961 CG ARG A 65 -6.460 -14.477 0.268 1.00 0.00 C ATOM 962 CD ARG A 65 -6.587 -15.801 -0.470 1.00 0.00 C ATOM 963 NE ARG A 65 -7.808 -16.519 -0.105 1.00 0.00 N ATOM 964 CZ ARG A 65 -9.013 -16.259 -0.621 1.00 0.00 C ATOM 965 NH1 ARG A 65 -9.171 -15.289 -1.518 1.00 0.00 N ATOM 966 NH2 ARG A 65 -10.066 -16.968 -0.232 1.00 0.00 N ATOM 0 H ARG A 65 -4.208 -13.122 0.143 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.894 -12.646 2.333 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.783 -15.292 1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.217 -15.087 2.305 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.452 -14.111 0.534 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -6.012 -13.733 -0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.582 -15.619 -1.545 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.720 -16.424 -0.248 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.735 -17.265 0.587 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.368 -14.736 -1.818 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.095 -15.099 -1.906 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.954 -17.709 0.459 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.987 -16.771 -0.625 1.00 0.00 H new ATOM 980 N TYR A 66 -2.931 -13.886 3.086 1.00 0.00 N ATOM 981 CA TYR A 66 -2.005 -14.151 4.189 1.00 0.00 C ATOM 982 C TYR A 66 -1.886 -12.941 5.116 1.00 0.00 C ATOM 983 O TYR A 66 -2.193 -13.031 6.305 1.00 0.00 O ATOM 984 CB TYR A 66 -0.626 -14.531 3.638 1.00 0.00 C ATOM 985 CG TYR A 66 0.412 -14.807 4.708 1.00 0.00 C ATOM 986 CD1 TYR A 66 0.443 -16.024 5.377 1.00 0.00 C ATOM 987 CD2 TYR A 66 1.363 -13.850 5.042 1.00 0.00 C ATOM 988 CE1 TYR A 66 1.393 -16.280 6.349 1.00 0.00 C ATOM 989 CE2 TYR A 66 2.316 -14.098 6.011 1.00 0.00 C ATOM 990 CZ TYR A 66 2.327 -15.314 6.663 1.00 0.00 C ATOM 991 OH TYR A 66 3.276 -15.567 7.625 1.00 0.00 O ATOM 0 H TYR A 66 -2.519 -13.987 2.159 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.401 -14.983 4.771 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.729 -15.416 3.009 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.267 -13.725 2.998 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.286 -16.782 5.134 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.357 -12.896 4.535 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.404 -17.231 6.860 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.049 -13.344 6.257 1.00 0.00 H new ATOM 0 HH TYR A 66 3.858 -14.785 7.725 1.00 0.00 H new ATOM 1001 N HIS A 67 -1.437 -11.811 4.567 1.00 0.00 N ATOM 1002 CA HIS A 67 -1.276 -10.586 5.351 1.00 0.00 C ATOM 1003 C HIS A 67 -2.624 -10.056 5.837 1.00 0.00 C ATOM 1004 O HIS A 67 -2.734 -9.558 6.958 1.00 0.00 O ATOM 1005 CB HIS A 67 -0.552 -9.510 4.534 1.00 0.00 C ATOM 1006 CG HIS A 67 0.940 -9.657 4.540 1.00 0.00 C ATOM 1007 ND1 HIS A 67 1.851 -9.482 3.553 1.00 0.00 N flip ATOM 1008 CD2 HIS A 67 1.659 -10.027 5.658 1.00 0.00 C flip ATOM 1009 CE1 HIS A 67 3.088 -9.744 4.087 1.00 0.00 C flip ATOM 1010 NE2 HIS A 67 2.945 -10.071 5.359 1.00 0.00 N flip ATOM 0 H HIS A 67 -1.179 -11.719 3.584 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.671 -10.832 6.224 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.908 -9.546 3.505 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.814 -8.528 4.928 1.00 0.00 H new ATOM 0 HD1 HIS A 67 1.654 -9.206 2.591 1.00 0.00 H new ATOM 0 HD2 HIS A 67 1.236 -10.247 6.627 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.026 -9.691 3.554 1.00 0.00 H new ATOM 1019 N PHE A 68 -3.649 -10.166 4.989 1.00 0.00 N ATOM 1020 CA PHE A 68 -4.991 -9.700 5.334 1.00 0.00 C ATOM 1021 C PHE A 68 -5.491 -10.376 6.612 1.00 0.00 C ATOM 1022 O PHE A 68 -5.938 -9.703 7.542 1.00 0.00 O ATOM 1023 CB PHE A 68 -5.961 -9.974 4.181 1.00 0.00 C ATOM 1024 CG PHE A 68 -7.336 -9.396 4.390 1.00 0.00 C ATOM 1025 CD1 PHE A 68 -8.312 -10.118 5.063 1.00 0.00 C ATOM 1026 CD2 PHE A 68 -7.653 -8.136 3.911 1.00 0.00 C ATOM 1027 CE1 PHE A 68 -9.575 -9.591 5.251 1.00 0.00 C ATOM 1028 CE2 PHE A 68 -8.915 -7.605 4.096 1.00 0.00 C ATOM 1029 CZ PHE A 68 -9.877 -8.332 4.766 1.00 0.00 C ATOM 0 H PHE A 68 -3.574 -10.575 4.057 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.943 -8.625 5.510 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.542 -9.565 3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.048 -11.051 4.041 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.082 -11.102 5.444 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.904 -7.561 3.386 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -10.326 -10.162 5.777 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -9.148 -6.621 3.716 1.00 0.00 H new ATOM 0 HZ PHE A 68 -10.864 -7.919 4.911 1.00 0.00 H new ATOM 1039 N GLU A 69 -5.411 -11.707 6.648 1.00 0.00 N ATOM 1040 CA GLU A 69 -5.853 -12.474 7.813 1.00 0.00 C ATOM 1041 C GLU A 69 -4.988 -12.168 9.032 1.00 0.00 C ATOM 1042 O GLU A 69 -5.457 -12.243 10.167 1.00 0.00 O ATOM 1043 CB GLU A 69 -5.824 -13.975 7.510 1.00 0.00 C ATOM 1044 CG GLU A 69 -6.790 -14.390 6.407 1.00 0.00 C ATOM 1045 CD GLU A 69 -7.980 -15.189 6.915 1.00 0.00 C ATOM 1046 OE1 GLU A 69 -8.379 -14.996 8.083 1.00 0.00 O ATOM 1047 OE2 GLU A 69 -8.518 -16.004 6.136 1.00 0.00 O ATOM 0 H GLU A 69 -5.045 -12.276 5.885 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.878 -12.179 8.038 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.812 -14.260 7.222 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.064 -14.526 8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.152 -13.497 5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.252 -14.984 5.668 1.00 0.00 H new ATOM 1054 N ASP A 70 -3.724 -11.818 8.792 1.00 0.00 N ATOM 1055 CA ASP A 70 -2.799 -11.495 9.875 1.00 0.00 C ATOM 1056 C ASP A 70 -3.214 -10.204 10.585 1.00 0.00 C ATOM 1057 O ASP A 70 -3.057 -10.078 11.800 1.00 0.00 O ATOM 1058 CB ASP A 70 -1.374 -11.353 9.337 1.00 0.00 C ATOM 1059 CG ASP A 70 -0.344 -11.961 10.270 1.00 0.00 C ATOM 1060 OD1 ASP A 70 -0.167 -11.428 11.387 1.00 0.00 O ATOM 1061 OD2 ASP A 70 0.283 -12.969 9.885 1.00 0.00 O ATOM 0 H ASP A 70 -3.319 -11.751 7.858 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.830 -12.313 10.595 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.307 -11.834 8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.148 -10.297 9.188 1.00 0.00 H new ATOM 1066 N VAL A 71 -3.738 -9.248 9.820 1.00 0.00 N ATOM 1067 CA VAL A 71 -4.169 -7.967 10.374 1.00 0.00 C ATOM 1068 C VAL A 71 -5.596 -8.048 10.908 1.00 0.00 C ATOM 1069 O VAL A 71 -5.854 -7.719 12.067 1.00 0.00 O ATOM 1070 CB VAL A 71 -4.097 -6.846 9.319 1.00 0.00 C ATOM 1071 CG1 VAL A 71 -4.323 -5.485 9.962 1.00 0.00 C ATOM 1072 CG2 VAL A 71 -2.765 -6.882 8.578 1.00 0.00 C ATOM 0 H VAL A 71 -3.874 -9.337 8.813 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.488 -7.735 11.193 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.891 -7.014 8.592 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.268 -4.708 9.199 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.306 -5.463 10.432 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.557 -5.307 10.717 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.738 -6.081 7.839 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.950 -6.747 9.289 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.654 -7.843 8.076 1.00 0.00 H new ATOM 1082 N GLY A 72 -6.519 -8.484 10.052 1.00 0.00 N ATOM 1083 CA GLY A 72 -7.913 -8.598 10.447 1.00 0.00 C ATOM 1084 C GLY A 72 -8.161 -9.705 11.462 1.00 0.00 C ATOM 1085 O GLY A 72 -9.239 -9.773 12.053 1.00 0.00 O ATOM 0 H GLY A 72 -6.325 -8.761 9.090 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.243 -7.648 10.867 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.521 -8.783 9.561 1.00 0.00 H new ATOM 1089 N GLY A 73 -7.165 -10.573 11.661 1.00 0.00 N ATOM 1090 CA GLY A 73 -7.303 -11.667 12.608 1.00 0.00 C ATOM 1091 C GLY A 73 -6.846 -11.311 14.012 1.00 0.00 C ATOM 1092 O GLY A 73 -7.350 -11.866 14.989 1.00 0.00 O ATOM 0 H GLY A 73 -6.266 -10.535 11.181 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.347 -11.979 12.642 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.727 -12.521 12.252 1.00 0.00 H new ATOM 1096 N VAL A 74 -5.886 -10.390 14.120 1.00 0.00 N ATOM 1097 CA VAL A 74 -5.364 -9.979 15.422 1.00 0.00 C ATOM 1098 C VAL A 74 -5.786 -8.546 15.782 1.00 0.00 C ATOM 1099 O VAL A 74 -5.091 -7.851 16.522 1.00 0.00 O ATOM 1100 CB VAL A 74 -3.822 -10.096 15.461 1.00 0.00 C ATOM 1101 CG1 VAL A 74 -3.306 -9.963 16.888 1.00 0.00 C ATOM 1102 CG2 VAL A 74 -3.378 -11.418 14.851 1.00 0.00 C ATOM 0 H VAL A 74 -5.457 -9.917 13.325 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.792 -10.654 16.163 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.399 -9.282 14.872 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.219 -10.048 16.891 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.595 -8.992 17.290 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.734 -10.753 17.505 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.291 -11.487 14.885 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.812 -12.243 15.416 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.713 -11.471 13.815 1.00 0.00 H new ATOM 1112 N GLN A 75 -6.939 -8.114 15.262 1.00 0.00 N ATOM 1113 CA GLN A 75 -7.453 -6.772 15.539 1.00 0.00 C ATOM 1114 C GLN A 75 -8.963 -6.701 15.296 1.00 0.00 C ATOM 1115 O GLN A 75 -9.574 -7.680 14.863 1.00 0.00 O ATOM 1116 CB GLN A 75 -6.740 -5.739 14.662 1.00 0.00 C ATOM 1117 CG GLN A 75 -5.510 -5.126 15.313 1.00 0.00 C ATOM 1118 CD GLN A 75 -4.952 -3.962 14.516 1.00 0.00 C ATOM 1119 OE1 GLN A 75 -4.885 -2.836 15.006 1.00 0.00 O ATOM 1120 NE2 GLN A 75 -4.545 -4.228 13.279 1.00 0.00 N ATOM 0 H GLN A 75 -7.532 -8.673 14.649 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.260 -6.549 16.588 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -6.446 -6.212 13.725 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.441 -4.943 14.411 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -5.765 -4.786 16.317 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -4.741 -5.891 15.421 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.618 -5.176 12.911 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.159 -3.484 12.698 1.00 0.00 H new ATOM 1129 N GLY A 76 -9.553 -5.533 15.573 1.00 0.00 N ATOM 1130 CA GLY A 76 -10.981 -5.348 15.371 1.00 0.00 C ATOM 1131 C GLY A 76 -11.394 -5.600 13.935 1.00 0.00 C ATOM 1132 O GLY A 76 -11.044 -4.829 13.039 1.00 0.00 O ATOM 0 H GLY A 76 -9.064 -4.714 15.934 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.529 -6.022 16.029 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.258 -4.332 15.654 1.00 0.00 H new ATOM 1136 N ALA A 77 -12.134 -6.688 13.722 1.00 0.00 N ATOM 1137 CA ALA A 77 -12.604 -7.080 12.396 1.00 0.00 C ATOM 1138 C ALA A 77 -13.057 -8.538 12.419 1.00 0.00 C ATOM 1139 O ALA A 77 -12.436 -9.407 11.804 1.00 0.00 O ATOM 1140 CB ALA A 77 -11.513 -6.879 11.350 1.00 0.00 C ATOM 0 H ALA A 77 -12.424 -7.322 14.466 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.449 -6.447 12.126 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.888 -7.178 10.371 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.224 -5.828 11.322 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.646 -7.487 11.608 1.00 0.00 H new ATOM 1146 N ARG A 78 -14.133 -8.799 13.156 1.00 0.00 N ATOM 1147 CA ARG A 78 -14.664 -10.151 13.287 1.00 0.00 C ATOM 1148 C ARG A 78 -15.228 -10.652 11.959 1.00 0.00 C ATOM 1149 O ARG A 78 -14.570 -11.418 11.252 1.00 0.00 O ATOM 1150 CB ARG A 78 -15.735 -10.198 14.383 1.00 0.00 C ATOM 1151 CG ARG A 78 -15.294 -10.944 15.633 1.00 0.00 C ATOM 1152 CD ARG A 78 -16.447 -11.715 16.255 1.00 0.00 C ATOM 1153 NE ARG A 78 -16.304 -11.853 17.704 1.00 0.00 N ATOM 1154 CZ ARG A 78 -17.298 -12.220 18.518 1.00 0.00 C ATOM 1155 NH1 ARG A 78 -18.508 -12.482 18.030 1.00 0.00 N ATOM 1156 NH2 ARG A 78 -17.082 -12.325 19.824 1.00 0.00 N ATOM 0 H ARG A 78 -14.654 -8.090 13.672 1.00 0.00 H new ATOM 0 HA ARG A 78 -13.845 -10.812 13.571 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -16.009 -9.179 14.656 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -16.631 -10.673 13.984 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -14.487 -11.633 15.382 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -14.894 -10.236 16.359 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -17.384 -11.206 16.031 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -16.506 -12.705 15.802 1.00 0.00 H new ATOM 0 HE ARG A 78 -15.392 -11.658 18.117 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -18.682 -12.403 17.028 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -19.262 -12.762 18.658 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.157 -12.125 20.206 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -17.841 -12.605 20.446 1.00 0.00 H new ATOM 1170 N ALA A 79 -16.438 -10.215 11.623 1.00 0.00 N ATOM 1171 CA ALA A 79 -17.073 -10.622 10.373 1.00 0.00 C ATOM 1172 C ALA A 79 -16.388 -9.949 9.188 1.00 0.00 C ATOM 1173 O ALA A 79 -16.551 -8.749 8.968 1.00 0.00 O ATOM 1174 CB ALA A 79 -18.557 -10.286 10.390 1.00 0.00 C ATOM 0 H ALA A 79 -16.997 -9.582 12.195 1.00 0.00 H new ATOM 0 HA ALA A 79 -16.968 -11.702 10.269 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.011 -10.597 9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -19.039 -10.809 11.216 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -18.685 -9.211 10.516 1.00 0.00 H new ATOM 1180 N VAL A 80 -15.613 -10.726 8.437 1.00 0.00 N ATOM 1181 CA VAL A 80 -14.892 -10.198 7.284 1.00 0.00 C ATOM 1182 C VAL A 80 -15.248 -10.954 6.011 1.00 0.00 C ATOM 1183 O VAL A 80 -15.069 -12.170 5.928 1.00 0.00 O ATOM 1184 CB VAL A 80 -13.364 -10.271 7.488 1.00 0.00 C ATOM 1185 CG1 VAL A 80 -12.640 -9.494 6.400 1.00 0.00 C ATOM 1186 CG2 VAL A 80 -12.979 -9.754 8.866 1.00 0.00 C ATOM 0 H VAL A 80 -15.468 -11.721 8.606 1.00 0.00 H new ATOM 0 HA VAL A 80 -15.194 -9.155 7.184 1.00 0.00 H new ATOM 0 HB VAL A 80 -13.061 -11.316 7.421 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -11.564 -9.558 6.562 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -12.886 -9.917 5.426 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.950 -8.450 6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -11.898 -9.815 8.988 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.298 -8.717 8.968 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -13.465 -10.360 9.631 1.00 0.00 H new ATOM 1196 N HIS A 81 -15.747 -10.223 5.020 1.00 0.00 N ATOM 1197 CA HIS A 81 -16.120 -10.815 3.744 1.00 0.00 C ATOM 1198 C HIS A 81 -15.187 -10.341 2.628 1.00 0.00 C ATOM 1199 O HIS A 81 -14.366 -9.442 2.835 1.00 0.00 O ATOM 1200 CB HIS A 81 -17.577 -10.477 3.417 1.00 0.00 C ATOM 1201 CG HIS A 81 -17.781 -9.091 2.888 1.00 0.00 C ATOM 1202 ND1 HIS A 81 -16.869 -8.070 3.058 1.00 0.00 N ATOM 1203 CD2 HIS A 81 -18.798 -8.566 2.175 1.00 0.00 C ATOM 1204 CE1 HIS A 81 -17.319 -6.981 2.475 1.00 0.00 C ATOM 1205 NE2 HIS A 81 -18.490 -7.253 1.930 1.00 0.00 N ATOM 0 H HIS A 81 -15.902 -9.217 5.078 1.00 0.00 H new ATOM 0 HA HIS A 81 -16.021 -11.898 3.820 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -17.948 -11.192 2.683 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -18.178 -10.603 4.317 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -19.690 -9.084 1.856 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -16.816 -6.026 2.447 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -19.071 -6.594 1.411 1.00 0.00 H new ATOM 1214 N VAL A 82 -15.321 -10.942 1.448 1.00 0.00 N ATOM 1215 CA VAL A 82 -14.492 -10.576 0.300 1.00 0.00 C ATOM 1216 C VAL A 82 -15.342 -9.990 -0.824 1.00 0.00 C ATOM 1217 O VAL A 82 -16.226 -10.660 -1.360 1.00 0.00 O ATOM 1218 CB VAL A 82 -13.692 -11.782 -0.241 1.00 0.00 C ATOM 1219 CG1 VAL A 82 -12.702 -12.279 0.799 1.00 0.00 C ATOM 1220 CG2 VAL A 82 -14.624 -12.906 -0.681 1.00 0.00 C ATOM 0 H VAL A 82 -15.995 -11.684 1.261 1.00 0.00 H new ATOM 0 HA VAL A 82 -13.787 -9.823 0.651 1.00 0.00 H new ATOM 0 HB VAL A 82 -13.133 -11.450 -1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.149 -13.128 0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -12.006 -11.479 1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.240 -12.587 1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -14.034 -13.742 -1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -15.221 -13.237 0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -15.284 -12.544 -1.469 1.00 0.00 H new ATOM 1230 N GLU A 83 -15.069 -8.735 -1.179 1.00 0.00 N ATOM 1231 CA GLU A 83 -15.811 -8.064 -2.243 1.00 0.00 C ATOM 1232 C GLU A 83 -15.316 -8.516 -3.615 1.00 0.00 C ATOM 1233 O GLU A 83 -16.063 -9.123 -4.383 1.00 0.00 O ATOM 1234 CB GLU A 83 -15.676 -6.546 -2.108 1.00 0.00 C ATOM 1235 CG GLU A 83 -16.734 -5.921 -1.211 1.00 0.00 C ATOM 1236 CD GLU A 83 -17.423 -4.730 -1.850 1.00 0.00 C ATOM 1237 OE1 GLU A 83 -16.715 -3.841 -2.371 1.00 0.00 O ATOM 1238 OE2 GLU A 83 -18.671 -4.686 -1.826 1.00 0.00 O ATOM 0 H GLU A 83 -14.342 -8.165 -0.747 1.00 0.00 H new ATOM 0 HA GLU A 83 -16.863 -8.334 -2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.689 -6.311 -1.711 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.737 -6.094 -3.098 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -17.481 -6.674 -0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.271 -5.607 -0.276 1.00 0.00 H new ATOM 1245 N SER A 84 -14.050 -8.219 -3.913 1.00 0.00 N ATOM 1246 CA SER A 84 -13.444 -8.594 -5.189 1.00 0.00 C ATOM 1247 C SER A 84 -11.970 -8.188 -5.234 1.00 0.00 C ATOM 1248 O SER A 84 -11.520 -7.363 -4.436 1.00 0.00 O ATOM 1249 CB SER A 84 -14.195 -7.938 -6.354 1.00 0.00 C ATOM 1250 OG SER A 84 -15.047 -8.867 -7.002 1.00 0.00 O ATOM 0 H SER A 84 -13.423 -7.717 -3.284 1.00 0.00 H new ATOM 0 HA SER A 84 -13.512 -9.678 -5.285 1.00 0.00 H new ATOM 0 HB2 SER A 84 -14.783 -7.098 -5.984 1.00 0.00 H new ATOM 0 HB3 SER A 84 -13.479 -7.535 -7.071 1.00 0.00 H new ATOM 0 HG SER A 84 -15.662 -9.258 -6.347 1.00 0.00 H new ATOM 1256 N VAL A 85 -11.223 -8.771 -6.175 1.00 0.00 N ATOM 1257 CA VAL A 85 -9.802 -8.461 -6.327 1.00 0.00 C ATOM 1258 C VAL A 85 -9.508 -7.896 -7.714 1.00 0.00 C ATOM 1259 O VAL A 85 -9.956 -8.440 -8.725 1.00 0.00 O ATOM 1260 CB VAL A 85 -8.907 -9.696 -6.084 1.00 0.00 C ATOM 1261 CG1 VAL A 85 -8.817 -10.006 -4.597 1.00 0.00 C ATOM 1262 CG2 VAL A 85 -9.416 -10.903 -6.861 1.00 0.00 C ATOM 0 H VAL A 85 -11.578 -9.458 -6.840 1.00 0.00 H new ATOM 0 HA VAL A 85 -9.569 -7.712 -5.571 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.905 -9.466 -6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.182 -10.879 -4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.390 -9.151 -4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.814 -10.210 -4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.767 -11.758 -6.671 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.431 -11.140 -6.542 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.415 -10.676 -7.927 1.00 0.00 H new ATOM 1272 N GLN A 86 -8.753 -6.800 -7.754 1.00 0.00 N ATOM 1273 CA GLN A 86 -8.397 -6.154 -9.014 1.00 0.00 C ATOM 1274 C GLN A 86 -6.939 -6.435 -9.381 1.00 0.00 C ATOM 1275 O GLN A 86 -6.023 -5.841 -8.811 1.00 0.00 O ATOM 1276 CB GLN A 86 -8.635 -4.644 -8.923 1.00 0.00 C ATOM 1277 CG GLN A 86 -9.220 -4.044 -10.191 1.00 0.00 C ATOM 1278 CD GLN A 86 -8.306 -4.209 -11.393 1.00 0.00 C ATOM 1279 OE1 GLN A 86 -8.695 -4.792 -12.405 1.00 0.00 O ATOM 1280 NE2 GLN A 86 -7.083 -3.698 -11.289 1.00 0.00 N ATOM 0 H GLN A 86 -8.375 -6.340 -6.925 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.033 -6.567 -9.797 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -9.308 -4.440 -8.090 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -7.691 -4.148 -8.698 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -10.180 -4.516 -10.402 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -9.414 -2.984 -10.030 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.800 -3.222 -10.432 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.428 -3.782 -12.066 1.00 0.00 H new ATOM 1289 N PRO A 87 -6.705 -7.349 -10.344 1.00 0.00 N ATOM 1290 CA PRO A 87 -5.350 -7.701 -10.783 1.00 0.00 C ATOM 1291 C PRO A 87 -4.673 -6.560 -11.544 1.00 0.00 C ATOM 1292 O PRO A 87 -5.214 -6.053 -12.527 1.00 0.00 O ATOM 1293 CB PRO A 87 -5.574 -8.905 -11.703 1.00 0.00 C ATOM 1294 CG PRO A 87 -6.974 -8.758 -12.194 1.00 0.00 C ATOM 1295 CD PRO A 87 -7.740 -8.105 -11.076 1.00 0.00 C ATOM 0 HA PRO A 87 -4.690 -7.911 -9.942 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.864 -8.908 -12.530 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -5.441 -9.843 -11.165 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.008 -8.150 -13.098 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -7.403 -9.728 -12.446 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.523 -7.449 -11.456 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.225 -8.843 -10.437 1.00 0.00 H new ATOM 1303 N LEU A 88 -3.488 -6.161 -11.082 1.00 0.00 N ATOM 1304 CA LEU A 88 -2.738 -5.078 -11.718 1.00 0.00 C ATOM 1305 C LEU A 88 -1.717 -5.627 -12.717 1.00 0.00 C ATOM 1306 O LEU A 88 -1.596 -6.842 -12.893 1.00 0.00 O ATOM 1307 CB LEU A 88 -2.029 -4.230 -10.658 1.00 0.00 C ATOM 1308 CG LEU A 88 -2.957 -3.447 -9.728 1.00 0.00 C ATOM 1309 CD1 LEU A 88 -2.312 -3.256 -8.362 1.00 0.00 C ATOM 1310 CD2 LEU A 88 -3.318 -2.102 -10.345 1.00 0.00 C ATOM 0 H LEU A 88 -3.027 -6.571 -10.270 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.446 -4.453 -12.262 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.400 -4.883 -10.053 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.366 -3.526 -11.161 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.874 -4.021 -9.594 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.988 -2.697 -7.715 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.107 -4.230 -7.917 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.379 -2.705 -8.474 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.979 -1.558 -9.670 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.410 -1.522 -10.510 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.824 -2.262 -11.297 1.00 0.00 H new ATOM 1322 N SER A 89 -0.985 -4.724 -13.373 1.00 0.00 N ATOM 1323 CA SER A 89 0.025 -5.113 -14.356 1.00 0.00 C ATOM 1324 C SER A 89 1.067 -4.005 -14.545 1.00 0.00 C ATOM 1325 O SER A 89 1.031 -2.986 -13.853 1.00 0.00 O ATOM 1326 CB SER A 89 -0.647 -5.435 -15.696 1.00 0.00 C ATOM 1327 OG SER A 89 -1.198 -4.270 -16.287 1.00 0.00 O ATOM 0 H SER A 89 -1.074 -3.717 -13.240 1.00 0.00 H new ATOM 0 HA SER A 89 0.537 -6.001 -13.986 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.082 -5.880 -16.374 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.433 -6.175 -15.543 1.00 0.00 H new ATOM 0 HG SER A 89 -1.619 -4.504 -17.141 1.00 0.00 H new ATOM 1333 N LEU A 90 1.992 -4.209 -15.489 1.00 0.00 N ATOM 1334 CA LEU A 90 3.035 -3.219 -15.765 1.00 0.00 C ATOM 1335 C LEU A 90 2.461 -1.963 -16.432 1.00 0.00 C ATOM 1336 O LEU A 90 3.135 -0.936 -16.507 1.00 0.00 O ATOM 1337 CB LEU A 90 4.134 -3.824 -16.647 1.00 0.00 C ATOM 1338 CG LEU A 90 5.537 -3.826 -16.030 1.00 0.00 C ATOM 1339 CD1 LEU A 90 6.505 -4.614 -16.901 1.00 0.00 C ATOM 1340 CD2 LEU A 90 6.039 -2.400 -15.828 1.00 0.00 C ATOM 0 H LEU A 90 2.039 -5.046 -16.071 1.00 0.00 H new ATOM 0 HA LEU A 90 3.466 -2.926 -14.808 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.859 -4.851 -16.889 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.168 -3.273 -17.587 1.00 0.00 H new ATOM 0 HG LEU A 90 5.479 -4.310 -15.055 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.495 -4.603 -16.446 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.158 -5.643 -16.991 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.556 -4.160 -17.891 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.036 -2.424 -15.389 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.078 -1.888 -16.790 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.362 -1.867 -15.161 1.00 0.00 H new ATOM 1352 N GLU A 91 1.215 -2.042 -16.908 1.00 0.00 N ATOM 1353 CA GLU A 91 0.572 -0.902 -17.557 1.00 0.00 C ATOM 1354 C GLU A 91 -0.051 0.063 -16.535 1.00 0.00 C ATOM 1355 O GLU A 91 -0.697 1.039 -16.919 1.00 0.00 O ATOM 1356 CB GLU A 91 -0.501 -1.384 -18.537 1.00 0.00 C ATOM 1357 CG GLU A 91 -0.301 -0.875 -19.956 1.00 0.00 C ATOM 1358 CD GLU A 91 -1.425 -1.284 -20.887 1.00 0.00 C ATOM 1359 OE1 GLU A 91 -1.440 -2.454 -21.323 1.00 0.00 O ATOM 1360 OE2 GLU A 91 -2.288 -0.430 -21.183 1.00 0.00 O ATOM 0 H GLU A 91 0.636 -2.880 -16.855 1.00 0.00 H new ATOM 0 HA GLU A 91 1.345 -0.359 -18.101 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.508 -2.474 -18.548 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.479 -1.063 -18.179 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.225 0.212 -19.940 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.644 -1.255 -20.344 1.00 0.00 H new ATOM 1367 N ASN A 92 0.141 -0.208 -15.240 1.00 0.00 N ATOM 1368 CA ASN A 92 -0.409 0.648 -14.186 1.00 0.00 C ATOM 1369 C ASN A 92 0.666 1.530 -13.551 1.00 0.00 C ATOM 1370 O ASN A 92 0.346 2.551 -12.938 1.00 0.00 O ATOM 1371 CB ASN A 92 -1.090 -0.201 -13.106 1.00 0.00 C ATOM 1372 CG ASN A 92 -2.387 -0.832 -13.584 1.00 0.00 C ATOM 1373 OD1 ASN A 92 -3.476 -0.398 -13.212 1.00 0.00 O ATOM 1374 ND2 ASN A 92 -2.276 -1.870 -14.407 1.00 0.00 N ATOM 0 H ASN A 92 0.671 -1.010 -14.898 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.147 1.301 -14.652 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.407 -0.986 -12.783 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.294 0.422 -12.235 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.113 -2.338 -14.754 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.353 -2.199 -14.692 1.00 0.00 H new ATOM 1381 N LEU A 93 1.938 1.154 -13.704 1.00 0.00 N ATOM 1382 CA LEU A 93 3.025 1.942 -13.146 1.00 0.00 C ATOM 1383 C LEU A 93 3.290 3.162 -14.023 1.00 0.00 C ATOM 1384 O LEU A 93 3.850 3.044 -15.113 1.00 0.00 O ATOM 1385 CB LEU A 93 4.296 1.093 -13.007 1.00 0.00 C ATOM 1386 CG LEU A 93 4.306 0.108 -11.832 1.00 0.00 C ATOM 1387 CD1 LEU A 93 4.167 0.844 -10.506 1.00 0.00 C ATOM 1388 CD2 LEU A 93 3.202 -0.930 -11.989 1.00 0.00 C ATOM 0 H LEU A 93 2.233 0.316 -14.206 1.00 0.00 H new ATOM 0 HA LEU A 93 2.734 2.281 -12.152 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.440 0.532 -13.930 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.150 1.763 -12.905 1.00 0.00 H new ATOM 0 HG LEU A 93 5.265 -0.410 -11.834 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.177 0.124 -9.688 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.998 1.540 -10.387 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.227 1.396 -10.493 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.227 -1.619 -11.145 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.234 -0.430 -12.020 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.354 -1.485 -12.915 1.00 0.00 H new ATOM 1400 N ALA A 94 2.862 4.327 -13.536 1.00 0.00 N ATOM 1401 CA ALA A 94 3.030 5.596 -14.259 1.00 0.00 C ATOM 1402 C ALA A 94 4.422 5.690 -14.876 1.00 0.00 C ATOM 1403 O ALA A 94 4.566 5.674 -16.100 1.00 0.00 O ATOM 1404 CB ALA A 94 2.779 6.779 -13.334 1.00 0.00 C ATOM 0 H ALA A 94 2.392 4.422 -12.636 1.00 0.00 H new ATOM 0 HA ALA A 94 2.296 5.624 -15.064 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.908 7.708 -13.889 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.762 6.727 -12.945 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.486 6.749 -12.505 1.00 0.00 H new ATOM 1410 N LEU A 95 5.449 5.752 -14.023 1.00 0.00 N ATOM 1411 CA LEU A 95 6.830 5.800 -14.498 1.00 0.00 C ATOM 1412 C LEU A 95 7.165 4.486 -15.204 1.00 0.00 C ATOM 1413 O LEU A 95 7.994 4.448 -16.113 1.00 0.00 O ATOM 1414 CB LEU A 95 7.809 6.037 -13.336 1.00 0.00 C ATOM 1415 CG LEU A 95 8.616 7.340 -13.407 1.00 0.00 C ATOM 1416 CD1 LEU A 95 9.639 7.279 -14.532 1.00 0.00 C ATOM 1417 CD2 LEU A 95 7.693 8.536 -13.586 1.00 0.00 C ATOM 0 H LEU A 95 5.349 5.770 -13.008 1.00 0.00 H new ATOM 0 HA LEU A 95 6.931 6.632 -15.195 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.246 6.029 -12.403 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.506 5.200 -13.295 1.00 0.00 H new ATOM 0 HG LEU A 95 9.151 7.460 -12.465 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.200 8.213 -14.565 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.324 6.450 -14.356 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.126 7.130 -15.482 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.286 9.449 -13.634 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.126 8.423 -14.510 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.005 8.594 -12.743 1.00 0.00 H new ATOM 1429 N ARG A 96 6.491 3.411 -14.774 1.00 0.00 N ATOM 1430 CA ARG A 96 6.678 2.083 -15.353 1.00 0.00 C ATOM 1431 C ARG A 96 8.141 1.639 -15.244 1.00 0.00 C ATOM 1432 O ARG A 96 8.779 1.310 -16.248 1.00 0.00 O ATOM 1433 CB ARG A 96 6.231 2.080 -16.822 1.00 0.00 C ATOM 1434 CG ARG A 96 5.587 0.777 -17.264 1.00 0.00 C ATOM 1435 CD ARG A 96 5.318 0.768 -18.764 1.00 0.00 C ATOM 1436 NE ARG A 96 5.407 -0.576 -19.335 1.00 0.00 N ATOM 1437 CZ ARG A 96 6.558 -1.197 -19.611 1.00 0.00 C ATOM 1438 NH1 ARG A 96 7.721 -0.600 -19.365 1.00 0.00 N ATOM 1439 NH2 ARG A 96 6.544 -2.418 -20.137 1.00 0.00 N ATOM 0 H ARG A 96 5.806 3.441 -14.019 1.00 0.00 H new ATOM 0 HA ARG A 96 6.065 1.376 -14.793 1.00 0.00 H new ATOM 0 HB2 ARG A 96 5.525 2.895 -16.979 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.095 2.281 -17.455 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.238 -0.058 -17.005 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.651 0.631 -16.725 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.326 1.177 -18.956 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.034 1.421 -19.263 1.00 0.00 H new ATOM 0 HE ARG A 96 4.537 -1.070 -19.535 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.738 0.337 -18.963 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.596 -1.080 -19.578 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.655 -2.880 -20.330 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.422 -2.893 -20.348 1.00 0.00 H new ATOM 1453 N GLY A 97 8.664 1.624 -14.017 1.00 0.00 N ATOM 1454 CA GLY A 97 10.040 1.207 -13.805 1.00 0.00 C ATOM 1455 C GLY A 97 10.203 -0.274 -14.056 1.00 0.00 C ATOM 1456 O GLY A 97 10.157 -0.719 -15.203 1.00 0.00 O ATOM 0 H GLY A 97 8.161 1.892 -13.171 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.699 1.766 -14.469 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.341 1.442 -12.784 1.00 0.00 H new ATOM 1460 N ARG A 98 10.357 -1.047 -12.985 1.00 0.00 N ATOM 1461 CA ARG A 98 10.480 -2.492 -13.112 1.00 0.00 C ATOM 1462 C ARG A 98 9.511 -3.176 -12.154 1.00 0.00 C ATOM 1463 O ARG A 98 9.735 -3.210 -10.943 1.00 0.00 O ATOM 1464 CB ARG A 98 11.917 -2.956 -12.817 1.00 0.00 C ATOM 1465 CG ARG A 98 12.990 -1.950 -13.205 1.00 0.00 C ATOM 1466 CD ARG A 98 13.301 -1.003 -12.057 1.00 0.00 C ATOM 1467 NE ARG A 98 13.384 0.389 -12.497 1.00 0.00 N ATOM 1468 CZ ARG A 98 14.481 0.940 -13.025 1.00 0.00 C ATOM 1469 NH1 ARG A 98 15.582 0.215 -13.207 1.00 0.00 N ATOM 1470 NH2 ARG A 98 14.471 2.220 -13.379 1.00 0.00 N ATOM 0 H ARG A 98 10.399 -0.699 -12.027 1.00 0.00 H new ATOM 0 HA ARG A 98 10.238 -2.766 -14.139 1.00 0.00 H new ATOM 0 HB2 ARG A 98 12.006 -3.172 -11.752 1.00 0.00 H new ATOM 0 HB3 ARG A 98 12.101 -3.890 -13.348 1.00 0.00 H new ATOM 0 HG2 ARG A 98 13.897 -2.478 -13.499 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.659 -1.378 -14.072 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.529 -1.095 -11.293 1.00 0.00 H new ATOM 0 HD3 ARG A 98 14.244 -1.293 -11.594 1.00 0.00 H new ATOM 0 HE ARG A 98 12.555 0.974 -12.395 1.00 0.00 H new ATOM 0 HH11 ARG A 98 15.593 -0.770 -12.943 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.414 0.644 -13.611 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.628 2.779 -13.248 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.306 2.644 -13.782 1.00 0.00 H new ATOM 1484 N CYS A 99 8.428 -3.718 -12.706 1.00 0.00 N ATOM 1485 CA CYS A 99 7.421 -4.404 -11.901 1.00 0.00 C ATOM 1486 C CYS A 99 7.135 -5.799 -12.455 1.00 0.00 C ATOM 1487 O CYS A 99 6.823 -5.953 -13.636 1.00 0.00 O ATOM 1488 CB CYS A 99 6.130 -3.585 -11.851 1.00 0.00 C ATOM 1489 SG CYS A 99 5.190 -3.795 -10.320 1.00 0.00 S ATOM 0 H CYS A 99 8.226 -3.696 -13.705 1.00 0.00 H new ATOM 0 HA CYS A 99 7.813 -4.510 -10.889 1.00 0.00 H new ATOM 0 HB2 CYS A 99 6.375 -2.530 -11.974 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.500 -3.866 -12.695 1.00 0.00 H new ATOM 0 HG CYS A 99 4.732 -5.010 -10.255 1.00 0.00 H new ATOM 1495 N GLN A 100 7.241 -6.807 -11.590 1.00 0.00 N ATOM 1496 CA GLN A 100 6.990 -8.193 -11.988 1.00 0.00 C ATOM 1497 C GLN A 100 5.491 -8.496 -11.979 1.00 0.00 C ATOM 1498 O GLN A 100 4.971 -9.116 -12.908 1.00 0.00 O ATOM 1499 CB GLN A 100 7.731 -9.159 -11.057 1.00 0.00 C ATOM 1500 CG GLN A 100 7.656 -10.619 -11.488 1.00 0.00 C ATOM 1501 CD GLN A 100 8.638 -10.951 -12.596 1.00 0.00 C ATOM 1502 OE1 GLN A 100 9.852 -10.859 -12.411 1.00 0.00 O ATOM 1503 NE2 GLN A 100 8.120 -11.344 -13.755 1.00 0.00 N ATOM 0 H GLN A 100 7.499 -6.691 -10.610 1.00 0.00 H new ATOM 0 HA GLN A 100 7.363 -8.329 -13.003 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.778 -8.861 -11.001 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.319 -9.066 -10.052 1.00 0.00 H new ATOM 0 HG2 GLN A 100 7.854 -11.259 -10.628 1.00 0.00 H new ATOM 0 HG3 GLN A 100 6.644 -10.843 -11.825 1.00 0.00 H new ATOM 0 HE21 GLN A 100 7.108 -11.407 -13.866 1.00 0.00 H new ATOM 0 HE22 GLN A 100 8.734 -11.583 -14.533 1.00 0.00 H new ATOM 1512 N GLU A 101 4.800 -8.051 -10.922 1.00 0.00 N ATOM 1513 CA GLU A 101 3.359 -8.275 -10.795 1.00 0.00 C ATOM 1514 C GLU A 101 2.748 -7.375 -9.715 1.00 0.00 C ATOM 1515 O GLU A 101 3.464 -6.656 -9.014 1.00 0.00 O ATOM 1516 CB GLU A 101 3.080 -9.744 -10.463 1.00 0.00 C ATOM 1517 CG GLU A 101 2.488 -10.533 -11.622 1.00 0.00 C ATOM 1518 CD GLU A 101 3.377 -11.681 -12.068 1.00 0.00 C ATOM 1519 OE1 GLU A 101 3.864 -12.433 -11.195 1.00 0.00 O ATOM 1520 OE2 GLU A 101 3.587 -11.828 -13.290 1.00 0.00 O ATOM 0 H GLU A 101 5.216 -7.536 -10.146 1.00 0.00 H new ATOM 0 HA GLU A 101 2.897 -8.024 -11.750 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.010 -10.219 -10.149 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.396 -9.792 -9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.515 -10.926 -11.328 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.320 -9.862 -12.464 1.00 0.00 H new ATOM 1527 N ALA A 102 1.418 -7.428 -9.586 1.00 0.00 N ATOM 1528 CA ALA A 102 0.704 -6.626 -8.591 1.00 0.00 C ATOM 1529 C ALA A 102 -0.753 -7.078 -8.461 1.00 0.00 C ATOM 1530 O ALA A 102 -1.389 -7.437 -9.452 1.00 0.00 O ATOM 1531 CB ALA A 102 0.775 -5.149 -8.955 1.00 0.00 C ATOM 0 H ALA A 102 0.815 -8.019 -10.159 1.00 0.00 H new ATOM 0 HA ALA A 102 1.187 -6.773 -7.625 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.240 -4.564 -8.207 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.817 -4.832 -8.987 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.318 -4.993 -9.932 1.00 0.00 H new ATOM 1537 N TRP A 103 -1.273 -7.063 -7.230 1.00 0.00 N ATOM 1538 CA TRP A 103 -2.653 -7.480 -6.971 1.00 0.00 C ATOM 1539 C TRP A 103 -3.361 -6.520 -6.016 1.00 0.00 C ATOM 1540 O TRP A 103 -2.717 -5.816 -5.234 1.00 0.00 O ATOM 1541 CB TRP A 103 -2.676 -8.896 -6.388 1.00 0.00 C ATOM 1542 CG TRP A 103 -2.036 -9.920 -7.275 1.00 0.00 C ATOM 1543 CD1 TRP A 103 -0.705 -10.208 -7.364 1.00 0.00 C ATOM 1544 CD2 TRP A 103 -2.698 -10.787 -8.201 1.00 0.00 C ATOM 1545 NE1 TRP A 103 -0.498 -11.204 -8.289 1.00 0.00 N ATOM 1546 CE2 TRP A 103 -1.707 -11.575 -8.817 1.00 0.00 C ATOM 1547 CE3 TRP A 103 -4.033 -10.975 -8.569 1.00 0.00 C ATOM 1548 CZ2 TRP A 103 -2.009 -12.534 -9.782 1.00 0.00 C ATOM 1549 CZ3 TRP A 103 -4.332 -11.927 -9.525 1.00 0.00 C ATOM 1550 CH2 TRP A 103 -3.325 -12.697 -10.121 1.00 0.00 C ATOM 0 H TRP A 103 -0.760 -6.767 -6.399 1.00 0.00 H new ATOM 0 HA TRP A 103 -3.185 -7.467 -7.922 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -2.166 -8.892 -5.425 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -3.710 -9.186 -6.200 1.00 0.00 H new ATOM 0 HD1 TRP A 103 0.072 -9.724 -6.791 1.00 0.00 H new ATOM 0 HE1 TRP A 103 0.407 -11.602 -8.541 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -4.817 -10.387 -8.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -1.234 -13.126 -10.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -5.360 -12.080 -9.818 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -3.593 -13.434 -10.863 1.00 0.00 H new ATOM 1561 N VAL A 104 -4.695 -6.503 -6.081 1.00 0.00 N ATOM 1562 CA VAL A 104 -5.504 -5.639 -5.221 1.00 0.00 C ATOM 1563 C VAL A 104 -6.657 -6.420 -4.591 1.00 0.00 C ATOM 1564 O VAL A 104 -7.360 -7.163 -5.276 1.00 0.00 O ATOM 1565 CB VAL A 104 -6.082 -4.436 -6.002 1.00 0.00 C ATOM 1566 CG1 VAL A 104 -6.739 -3.441 -5.054 1.00 0.00 C ATOM 1567 CG2 VAL A 104 -5.000 -3.756 -6.827 1.00 0.00 C ATOM 0 H VAL A 104 -5.238 -7.080 -6.723 1.00 0.00 H new ATOM 0 HA VAL A 104 -4.843 -5.267 -4.438 1.00 0.00 H new ATOM 0 HB VAL A 104 -6.844 -4.812 -6.684 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -7.138 -2.603 -5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -7.549 -3.932 -4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.000 -3.075 -4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -5.430 -2.913 -7.367 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.210 -3.399 -6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.583 -4.469 -7.539 1.00 0.00 H new ATOM 1577 N LEU A 105 -6.846 -6.242 -3.282 1.00 0.00 N ATOM 1578 CA LEU A 105 -7.913 -6.927 -2.551 1.00 0.00 C ATOM 1579 C LEU A 105 -8.794 -5.922 -1.806 1.00 0.00 C ATOM 1580 O LEU A 105 -8.350 -5.286 -0.848 1.00 0.00 O ATOM 1581 CB LEU A 105 -7.313 -7.932 -1.562 1.00 0.00 C ATOM 1582 CG LEU A 105 -8.320 -8.876 -0.896 1.00 0.00 C ATOM 1583 CD1 LEU A 105 -7.743 -10.280 -0.786 1.00 0.00 C ATOM 1584 CD2 LEU A 105 -8.720 -8.352 0.478 1.00 0.00 C ATOM 0 H LEU A 105 -6.272 -5.627 -2.705 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.533 -7.461 -3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.569 -8.532 -2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.787 -7.380 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.214 -8.919 -1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.472 -10.937 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.510 -10.657 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.833 -10.253 -0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.435 -9.036 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.835 -8.277 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -9.176 -7.367 0.373 1.00 0.00 H new ATOM 1596 N SER A 106 -10.045 -5.785 -2.251 1.00 0.00 N ATOM 1597 CA SER A 106 -10.988 -4.860 -1.625 1.00 0.00 C ATOM 1598 C SER A 106 -12.070 -5.617 -0.857 1.00 0.00 C ATOM 1599 O SER A 106 -12.543 -6.663 -1.303 1.00 0.00 O ATOM 1600 CB SER A 106 -11.629 -3.955 -2.682 1.00 0.00 C ATOM 1601 OG SER A 106 -12.429 -4.701 -3.584 1.00 0.00 O ATOM 0 H SER A 106 -10.427 -6.303 -3.042 1.00 0.00 H new ATOM 0 HA SER A 106 -10.435 -4.242 -0.918 1.00 0.00 H new ATOM 0 HB2 SER A 106 -12.240 -3.197 -2.192 1.00 0.00 H new ATOM 0 HB3 SER A 106 -10.850 -3.429 -3.234 1.00 0.00 H new ATOM 0 HG SER A 106 -11.933 -5.491 -3.884 1.00 0.00 H new ATOM 1607 N GLY A 107 -12.454 -5.079 0.301 1.00 0.00 N ATOM 1608 CA GLY A 107 -13.475 -5.715 1.117 1.00 0.00 C ATOM 1609 C GLY A 107 -13.804 -4.924 2.371 1.00 0.00 C ATOM 1610 O GLY A 107 -13.414 -3.761 2.499 1.00 0.00 O ATOM 0 H GLY A 107 -12.075 -4.214 0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -14.381 -5.841 0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.138 -6.712 1.400 1.00 0.00 H new ATOM 1614 N LYS A 108 -14.523 -5.558 3.297 1.00 0.00 N ATOM 1615 CA LYS A 108 -14.912 -4.919 4.554 1.00 0.00 C ATOM 1616 C LYS A 108 -14.889 -5.925 5.706 1.00 0.00 C ATOM 1617 O LYS A 108 -14.884 -7.138 5.481 1.00 0.00 O ATOM 1618 CB LYS A 108 -16.312 -4.304 4.439 1.00 0.00 C ATOM 1619 CG LYS A 108 -16.421 -3.196 3.399 1.00 0.00 C ATOM 1620 CD LYS A 108 -17.638 -3.387 2.506 1.00 0.00 C ATOM 1621 CE LYS A 108 -18.772 -2.448 2.896 1.00 0.00 C ATOM 1622 NZ LYS A 108 -18.890 -1.285 1.969 1.00 0.00 N ATOM 0 H LYS A 108 -14.850 -6.519 3.199 1.00 0.00 H new ATOM 0 HA LYS A 108 -14.191 -4.128 4.761 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -17.024 -5.091 4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -16.603 -3.905 5.411 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -16.484 -2.230 3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.519 -3.179 2.788 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.359 -3.210 1.467 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.981 -4.420 2.573 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -19.712 -3.000 2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -18.608 -2.085 3.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -19.675 -0.675 2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.004 -0.741 1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -19.074 -1.627 1.004 1.00 0.00 H new ATOM 1636 N GLN A 109 -14.883 -5.414 6.938 1.00 0.00 N ATOM 1637 CA GLN A 109 -14.866 -6.263 8.124 1.00 0.00 C ATOM 1638 C GLN A 109 -15.743 -5.675 9.225 1.00 0.00 C ATOM 1639 O GLN A 109 -16.144 -4.512 9.154 1.00 0.00 O ATOM 1640 CB GLN A 109 -13.435 -6.437 8.640 1.00 0.00 C ATOM 1641 CG GLN A 109 -12.704 -5.123 8.882 1.00 0.00 C ATOM 1642 CD GLN A 109 -11.229 -5.190 8.526 1.00 0.00 C ATOM 1643 OE1 GLN A 109 -10.836 -5.876 7.582 1.00 0.00 O ATOM 1644 NE2 GLN A 109 -10.400 -4.473 9.280 1.00 0.00 N ATOM 0 H GLN A 109 -14.890 -4.414 7.138 1.00 0.00 H new ATOM 0 HA GLN A 109 -15.264 -7.238 7.843 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -13.461 -7.004 9.570 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -12.869 -7.030 7.921 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -13.178 -4.336 8.295 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -12.807 -4.844 9.931 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -10.766 -3.917 10.053 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -9.399 -4.479 9.085 1.00 0.00 H new ATOM 1653 N GLN A 110 -16.032 -6.480 10.246 1.00 0.00 N ATOM 1654 CA GLN A 110 -16.854 -6.034 11.361 1.00 0.00 C ATOM 1655 C GLN A 110 -15.986 -5.783 12.588 1.00 0.00 C ATOM 1656 O GLN A 110 -15.765 -6.682 13.404 1.00 0.00 O ATOM 1657 CB GLN A 110 -17.939 -7.073 11.662 1.00 0.00 C ATOM 1658 CG GLN A 110 -18.599 -6.905 13.020 1.00 0.00 C ATOM 1659 CD GLN A 110 -19.774 -7.842 13.215 1.00 0.00 C ATOM 1660 OE1 GLN A 110 -20.930 -7.442 13.082 1.00 0.00 O ATOM 1661 NE2 GLN A 110 -19.484 -9.099 13.530 1.00 0.00 N ATOM 0 H GLN A 110 -15.707 -7.444 10.321 1.00 0.00 H new ATOM 0 HA GLN A 110 -17.341 -5.097 11.092 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -18.705 -7.017 10.888 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -17.499 -8.069 11.604 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -17.862 -7.084 13.803 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -18.938 -5.875 13.131 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -18.511 -9.388 13.630 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -20.234 -9.775 13.672 1.00 0.00 H new ATOM 1670 N ILE A 111 -15.480 -4.558 12.707 1.00 0.00 N ATOM 1671 CA ILE A 111 -14.623 -4.200 13.834 1.00 0.00 C ATOM 1672 C ILE A 111 -15.450 -3.907 15.084 1.00 0.00 C ATOM 1673 O ILE A 111 -16.003 -2.816 15.247 1.00 0.00 O ATOM 1674 CB ILE A 111 -13.701 -3.000 13.504 1.00 0.00 C ATOM 1675 CG1 ILE A 111 -12.964 -2.517 14.757 1.00 0.00 C ATOM 1676 CG2 ILE A 111 -14.483 -1.859 12.867 1.00 0.00 C ATOM 1677 CD1 ILE A 111 -11.564 -2.009 14.480 1.00 0.00 C ATOM 0 H ILE A 111 -15.647 -3.802 12.043 1.00 0.00 H new ATOM 0 HA ILE A 111 -13.986 -5.062 14.033 1.00 0.00 H new ATOM 0 HB ILE A 111 -12.960 -3.342 12.781 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -13.544 -1.722 15.225 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -12.909 -3.336 15.474 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -13.807 -1.033 12.648 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -14.944 -2.206 11.942 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -15.258 -1.521 13.555 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -11.104 -1.684 15.413 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -10.967 -2.808 14.040 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -11.612 -1.169 13.787 1.00 0.00 H new ATOM 1689 N ALA A 112 -15.527 -4.909 15.959 1.00 0.00 N ATOM 1690 CA ALA A 112 -16.278 -4.803 17.207 1.00 0.00 C ATOM 1691 C ALA A 112 -15.373 -5.046 18.417 1.00 0.00 C ATOM 1692 O ALA A 112 -14.347 -5.719 18.309 1.00 0.00 O ATOM 1693 CB ALA A 112 -17.433 -5.795 17.209 1.00 0.00 C ATOM 0 H ALA A 112 -15.073 -5.812 15.823 1.00 0.00 H new ATOM 0 HA ALA A 112 -16.676 -3.791 17.279 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -17.986 -5.707 18.144 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -18.098 -5.581 16.372 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -17.043 -6.808 17.112 1.00 0.00 H new ATOM 1800 N ALA A 119 -20.512 -2.128 15.679 1.00 0.00 N ATOM 1801 CA ALA A 119 -19.524 -2.307 14.619 1.00 0.00 C ATOM 1802 C ALA A 119 -19.923 -1.541 13.355 1.00 0.00 C ATOM 1803 O ALA A 119 -20.885 -0.771 13.360 1.00 0.00 O ATOM 1804 CB ALA A 119 -19.348 -3.789 14.311 1.00 0.00 C ATOM 0 HA ALA A 119 -18.574 -1.903 14.968 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -18.609 -3.911 13.519 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -19.009 -4.309 15.207 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -20.300 -4.209 13.986 1.00 0.00 H new ATOM 1810 N LYS A 120 -19.175 -1.764 12.272 1.00 0.00 N ATOM 1811 CA LYS A 120 -19.443 -1.107 10.994 1.00 0.00 C ATOM 1812 C LYS A 120 -18.680 -1.797 9.865 1.00 0.00 C ATOM 1813 O LYS A 120 -17.529 -2.198 10.045 1.00 0.00 O ATOM 1814 CB LYS A 120 -19.056 0.377 11.054 1.00 0.00 C ATOM 1815 CG LYS A 120 -17.727 0.641 11.748 1.00 0.00 C ATOM 1816 CD LYS A 120 -17.238 2.061 11.498 1.00 0.00 C ATOM 1817 CE LYS A 120 -17.513 2.966 12.691 1.00 0.00 C ATOM 1818 NZ LYS A 120 -16.665 4.191 12.669 1.00 0.00 N ATOM 0 H LYS A 120 -18.376 -2.398 12.257 1.00 0.00 H new ATOM 0 HA LYS A 120 -20.512 -1.182 10.795 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -19.009 0.771 10.039 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -19.841 0.926 11.573 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -17.836 0.476 12.820 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -16.982 -0.070 11.391 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -16.168 2.047 11.290 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -17.729 2.465 10.613 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -18.565 3.253 12.694 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -17.331 2.415 13.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -16.884 4.779 13.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -15.661 3.919 12.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -16.857 4.731 11.801 1.00 0.00 H new ATOM 1832 N ASP A 121 -19.325 -1.931 8.703 1.00 0.00 N ATOM 1833 CA ASP A 121 -18.699 -2.572 7.546 1.00 0.00 C ATOM 1834 C ASP A 121 -17.664 -1.643 6.909 1.00 0.00 C ATOM 1835 O ASP A 121 -17.849 -1.155 5.791 1.00 0.00 O ATOM 1836 CB ASP A 121 -19.763 -2.975 6.514 1.00 0.00 C ATOM 1837 CG ASP A 121 -19.882 -4.480 6.348 1.00 0.00 C ATOM 1838 OD1 ASP A 121 -18.833 -5.157 6.271 1.00 0.00 O ATOM 1839 OD2 ASP A 121 -21.024 -4.981 6.291 1.00 0.00 O ATOM 0 H ASP A 121 -20.278 -1.605 8.540 1.00 0.00 H new ATOM 0 HA ASP A 121 -18.189 -3.472 7.888 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -20.728 -2.570 6.817 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -19.517 -2.526 5.552 1.00 0.00 H new ATOM 1844 N VAL A 122 -16.576 -1.399 7.637 1.00 0.00 N ATOM 1845 CA VAL A 122 -15.507 -0.522 7.163 1.00 0.00 C ATOM 1846 C VAL A 122 -14.826 -1.085 5.916 1.00 0.00 C ATOM 1847 O VAL A 122 -14.444 -2.255 5.879 1.00 0.00 O ATOM 1848 CB VAL A 122 -14.444 -0.280 8.255 1.00 0.00 C ATOM 1849 CG1 VAL A 122 -15.045 0.505 9.412 1.00 0.00 C ATOM 1850 CG2 VAL A 122 -13.853 -1.598 8.745 1.00 0.00 C ATOM 0 H VAL A 122 -16.411 -1.798 8.561 1.00 0.00 H new ATOM 0 HA VAL A 122 -15.979 0.428 6.910 1.00 0.00 H new ATOM 0 HB VAL A 122 -13.635 0.307 7.821 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -14.284 0.668 10.175 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -15.408 1.467 9.050 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -15.874 -0.057 9.841 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -13.107 -1.399 9.514 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -14.646 -2.220 9.161 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -13.384 -2.119 7.910 1.00 0.00 H new ATOM 1860 N THR A 123 -14.682 -0.236 4.897 1.00 0.00 N ATOM 1861 CA THR A 123 -14.049 -0.634 3.641 1.00 0.00 C ATOM 1862 C THR A 123 -12.526 -0.654 3.775 1.00 0.00 C ATOM 1863 O THR A 123 -11.936 0.237 4.390 1.00 0.00 O ATOM 1864 CB THR A 123 -14.460 0.321 2.514 1.00 0.00 C ATOM 1865 OG1 THR A 123 -15.868 0.481 2.475 1.00 0.00 O ATOM 1866 CG2 THR A 123 -14.009 -0.138 1.142 1.00 0.00 C ATOM 0 H THR A 123 -14.997 0.734 4.918 1.00 0.00 H new ATOM 0 HA THR A 123 -14.386 -1.642 3.399 1.00 0.00 H new ATOM 0 HB THR A 123 -13.964 1.264 2.744 1.00 0.00 H new ATOM 0 HG1 THR A 123 -16.107 1.095 1.750 1.00 0.00 H new ATOM 0 HG21 THR A 123 -14.333 0.584 0.392 1.00 0.00 H new ATOM 0 HG22 THR A 123 -12.922 -0.217 1.124 1.00 0.00 H new ATOM 0 HG23 THR A 123 -14.447 -1.111 0.922 1.00 0.00 H new ATOM 1874 N LEU A 124 -11.901 -1.674 3.190 1.00 0.00 N ATOM 1875 CA LEU A 124 -10.450 -1.823 3.233 1.00 0.00 C ATOM 1876 C LEU A 124 -9.897 -2.188 1.855 1.00 0.00 C ATOM 1877 O LEU A 124 -10.100 -3.305 1.374 1.00 0.00 O ATOM 1878 CB LEU A 124 -10.060 -2.893 4.255 1.00 0.00 C ATOM 1879 CG LEU A 124 -9.485 -2.361 5.569 1.00 0.00 C ATOM 1880 CD1 LEU A 124 -10.590 -2.165 6.598 1.00 0.00 C ATOM 1881 CD2 LEU A 124 -8.417 -3.305 6.102 1.00 0.00 C ATOM 0 H LEU A 124 -12.382 -2.413 2.678 1.00 0.00 H new ATOM 0 HA LEU A 124 -10.018 -0.868 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -10.940 -3.496 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -9.326 -3.558 3.799 1.00 0.00 H new ATOM 0 HG LEU A 124 -9.024 -1.392 5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -10.161 -1.786 7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -11.319 -1.450 6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -11.082 -3.118 6.789 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -8.018 -2.912 7.037 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -8.855 -4.287 6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -7.612 -3.393 5.372 1.00 0.00 H new ATOM 1893 N HIS A 125 -9.195 -1.243 1.228 1.00 0.00 N ATOM 1894 CA HIS A 125 -8.608 -1.468 -0.091 1.00 0.00 C ATOM 1895 C HIS A 125 -7.126 -1.815 0.039 1.00 0.00 C ATOM 1896 O HIS A 125 -6.298 -0.947 0.319 1.00 0.00 O ATOM 1897 CB HIS A 125 -8.791 -0.231 -0.977 1.00 0.00 C ATOM 1898 CG HIS A 125 -9.404 -0.532 -2.310 1.00 0.00 C ATOM 1899 ND1 HIS A 125 -8.844 -0.954 -3.470 1.00 0.00 N flip ATOM 1900 CD2 HIS A 125 -10.754 -0.403 -2.566 1.00 0.00 C flip ATOM 1901 CE1 HIS A 125 -9.854 -1.070 -4.394 1.00 0.00 C flip ATOM 1902 NE2 HIS A 125 -10.997 -0.732 -3.822 1.00 0.00 N flip ATOM 0 H HIS A 125 -9.020 -0.315 1.613 1.00 0.00 H new ATOM 0 HA HIS A 125 -9.122 -2.308 -0.560 1.00 0.00 H new ATOM 0 HB2 HIS A 125 -9.418 0.491 -0.453 1.00 0.00 H new ATOM 0 HB3 HIS A 125 -7.821 0.242 -1.131 1.00 0.00 H new ATOM 0 HD1 HIS A 125 -7.855 -1.149 -3.628 1.00 0.00 H new ATOM 0 HD2 HIS A 125 -11.497 -0.083 -1.850 1.00 0.00 H new ATOM 0 HE1 HIS A 125 -9.734 -1.386 -5.420 1.00 0.00 H new ATOM 1911 N GLN A 126 -6.804 -3.093 -0.155 1.00 0.00 N ATOM 1912 CA GLN A 126 -5.426 -3.568 -0.048 1.00 0.00 C ATOM 1913 C GLN A 126 -4.767 -3.695 -1.421 1.00 0.00 C ATOM 1914 O GLN A 126 -5.369 -4.212 -2.362 1.00 0.00 O ATOM 1915 CB GLN A 126 -5.390 -4.920 0.670 1.00 0.00 C ATOM 1916 CG GLN A 126 -4.018 -5.292 1.208 1.00 0.00 C ATOM 1917 CD GLN A 126 -4.039 -5.607 2.694 1.00 0.00 C ATOM 1918 OE1 GLN A 126 -4.636 -6.594 3.121 1.00 0.00 O ATOM 1919 NE2 GLN A 126 -3.386 -4.766 3.488 1.00 0.00 N ATOM 0 H GLN A 126 -7.481 -3.820 -0.388 1.00 0.00 H new ATOM 0 HA GLN A 126 -4.866 -2.832 0.529 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -6.101 -4.901 1.496 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -5.722 -5.696 -0.019 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -3.640 -6.157 0.662 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -3.325 -4.471 1.024 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -2.904 -3.960 3.091 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -3.366 -4.927 4.495 1.00 0.00 H new ATOM 1928 N ALA A 127 -3.523 -3.229 -1.517 1.00 0.00 N ATOM 1929 CA ALA A 127 -2.765 -3.298 -2.764 1.00 0.00 C ATOM 1930 C ALA A 127 -1.398 -3.933 -2.530 1.00 0.00 C ATOM 1931 O ALA A 127 -0.471 -3.274 -2.051 1.00 0.00 O ATOM 1932 CB ALA A 127 -2.613 -1.913 -3.375 1.00 0.00 C ATOM 0 H ALA A 127 -3.018 -2.798 -0.743 1.00 0.00 H new ATOM 0 HA ALA A 127 -3.317 -3.924 -3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -2.046 -1.985 -4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -3.599 -1.497 -3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -2.085 -1.263 -2.677 1.00 0.00 H new ATOM 1938 N LEU A 128 -1.281 -5.216 -2.862 1.00 0.00 N ATOM 1939 CA LEU A 128 -0.028 -5.941 -2.682 1.00 0.00 C ATOM 1940 C LEU A 128 0.813 -5.920 -3.954 1.00 0.00 C ATOM 1941 O LEU A 128 0.374 -6.382 -5.012 1.00 0.00 O ATOM 1942 CB LEU A 128 -0.299 -7.384 -2.255 1.00 0.00 C ATOM 1943 CG LEU A 128 0.730 -7.967 -1.289 1.00 0.00 C ATOM 1944 CD1 LEU A 128 0.092 -9.028 -0.407 1.00 0.00 C ATOM 1945 CD2 LEU A 128 1.914 -8.540 -2.055 1.00 0.00 C ATOM 0 H LEU A 128 -2.038 -5.774 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 128 0.534 -5.439 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.283 -7.432 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.337 -8.011 -3.146 1.00 0.00 H new ATOM 0 HG LEU A 128 1.095 -7.166 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 128 0.840 -9.432 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -0.720 -8.583 0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -0.302 -9.831 -1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 128 2.638 -8.951 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 128 1.568 -9.329 -2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 128 2.385 -7.750 -2.640 1.00 0.00 H new ATOM 1957 N LEU A 129 2.024 -5.382 -3.841 1.00 0.00 N ATOM 1958 CA LEU A 129 2.937 -5.293 -4.974 1.00 0.00 C ATOM 1959 C LEU A 129 4.203 -6.104 -4.703 1.00 0.00 C ATOM 1960 O LEU A 129 4.994 -5.758 -3.824 1.00 0.00 O ATOM 1961 CB LEU A 129 3.296 -3.829 -5.252 1.00 0.00 C ATOM 1962 CG LEU A 129 2.316 -3.072 -6.154 1.00 0.00 C ATOM 1963 CD1 LEU A 129 0.904 -3.132 -5.586 1.00 0.00 C ATOM 1964 CD2 LEU A 129 2.759 -1.625 -6.327 1.00 0.00 C ATOM 0 H LEU A 129 2.396 -5.000 -2.972 1.00 0.00 H new ATOM 0 HA LEU A 129 2.441 -5.706 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 129 3.368 -3.303 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 129 4.285 -3.796 -5.710 1.00 0.00 H new ATOM 0 HG LEU A 129 2.312 -3.552 -7.132 1.00 0.00 H new ATOM 0 HD11 LEU A 129 0.224 -2.588 -6.242 1.00 0.00 H new ATOM 0 HD12 LEU A 129 0.585 -4.172 -5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 129 0.891 -2.679 -4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 129 2.051 -1.102 -6.971 1.00 0.00 H new ATOM 0 HD22 LEU A 129 2.794 -1.136 -5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 129 3.750 -1.600 -6.781 1.00 0.00 H new ATOM 1976 N ARG A 130 4.385 -7.184 -5.460 1.00 0.00 N ATOM 1977 CA ARG A 130 5.552 -8.048 -5.301 1.00 0.00 C ATOM 1978 C ARG A 130 6.616 -7.721 -6.347 1.00 0.00 C ATOM 1979 O ARG A 130 6.398 -7.905 -7.546 1.00 0.00 O ATOM 1980 CB ARG A 130 5.140 -9.520 -5.408 1.00 0.00 C ATOM 1981 CG ARG A 130 6.292 -10.495 -5.213 1.00 0.00 C ATOM 1982 CD ARG A 130 6.334 -11.538 -6.321 1.00 0.00 C ATOM 1983 NE ARG A 130 7.704 -11.872 -6.712 1.00 0.00 N ATOM 1984 CZ ARG A 130 8.033 -12.941 -7.443 1.00 0.00 C ATOM 1985 NH1 ARG A 130 7.097 -13.794 -7.854 1.00 0.00 N ATOM 1986 NH2 ARG A 130 9.302 -13.158 -7.766 1.00 0.00 N ATOM 0 H ARG A 130 3.738 -7.482 -6.190 1.00 0.00 H new ATOM 0 HA ARG A 130 5.977 -7.871 -4.313 1.00 0.00 H new ATOM 0 HB2 ARG A 130 4.371 -9.727 -4.664 1.00 0.00 H new ATOM 0 HB3 ARG A 130 4.692 -9.692 -6.387 1.00 0.00 H new ATOM 0 HG2 ARG A 130 7.234 -9.947 -5.192 1.00 0.00 H new ATOM 0 HG3 ARG A 130 6.190 -10.992 -4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 130 5.822 -12.441 -5.988 1.00 0.00 H new ATOM 0 HD3 ARG A 130 5.790 -11.166 -7.189 1.00 0.00 H new ATOM 0 HE ARG A 130 8.454 -11.251 -6.408 1.00 0.00 H new ATOM 0 HH11 ARG A 130 6.119 -13.634 -7.611 1.00 0.00 H new ATOM 0 HH12 ARG A 130 7.358 -14.607 -8.412 1.00 0.00 H new ATOM 0 HH21 ARG A 130 10.025 -12.509 -7.456 1.00 0.00 H new ATOM 0 HH22 ARG A 130 9.554 -13.974 -8.324 1.00 0.00 H new ATOM 2000 N LEU A 131 7.767 -7.237 -5.884 1.00 0.00 N ATOM 2001 CA LEU A 131 8.870 -6.886 -6.777 1.00 0.00 C ATOM 2002 C LEU A 131 10.035 -7.856 -6.599 1.00 0.00 C ATOM 2003 O LEU A 131 10.395 -8.204 -5.473 1.00 0.00 O ATOM 2004 CB LEU A 131 9.341 -5.453 -6.507 1.00 0.00 C ATOM 2005 CG LEU A 131 8.235 -4.395 -6.478 1.00 0.00 C ATOM 2006 CD1 LEU A 131 7.523 -4.396 -5.131 1.00 0.00 C ATOM 2007 CD2 LEU A 131 8.806 -3.018 -6.777 1.00 0.00 C ATOM 0 H LEU A 131 7.960 -7.079 -4.895 1.00 0.00 H new ATOM 0 HA LEU A 131 8.511 -6.954 -7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 131 9.864 -5.434 -5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 131 10.066 -5.176 -7.272 1.00 0.00 H new ATOM 0 HG LEU A 131 7.506 -4.642 -7.250 1.00 0.00 H new ATOM 0 HD11 LEU A 131 6.741 -3.637 -5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 131 7.078 -5.375 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 131 8.240 -4.177 -4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 131 8.005 -2.279 -6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 131 9.557 -2.765 -6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 131 9.266 -3.022 -7.765 1.00 0.00 H new ATOM 2019 N PRO A 132 10.641 -8.316 -7.713 1.00 0.00 N ATOM 2020 CA PRO A 132 11.767 -9.255 -7.670 1.00 0.00 C ATOM 2021 C PRO A 132 13.121 -8.576 -7.421 1.00 0.00 C ATOM 2022 O PRO A 132 14.163 -9.228 -7.492 1.00 0.00 O ATOM 2023 CB PRO A 132 11.730 -9.875 -9.063 1.00 0.00 C ATOM 2024 CG PRO A 132 11.228 -8.781 -9.943 1.00 0.00 C ATOM 2025 CD PRO A 132 10.276 -7.965 -9.103 1.00 0.00 C ATOM 0 HA PRO A 132 11.672 -9.966 -6.849 1.00 0.00 H new ATOM 0 HB2 PRO A 132 12.719 -10.213 -9.374 1.00 0.00 H new ATOM 0 HB3 PRO A 132 11.072 -10.743 -9.094 1.00 0.00 H new ATOM 0 HG2 PRO A 132 12.051 -8.166 -10.306 1.00 0.00 H new ATOM 0 HG3 PRO A 132 10.723 -9.188 -10.819 1.00 0.00 H new ATOM 0 HD2 PRO A 132 10.392 -6.897 -9.290 1.00 0.00 H new ATOM 0 HD3 PRO A 132 9.237 -8.215 -9.319 1.00 0.00 H new ATOM 2033 N GLN A 133 13.103 -7.269 -7.123 1.00 0.00 N ATOM 2034 CA GLN A 133 14.336 -6.517 -6.863 1.00 0.00 C ATOM 2035 C GLN A 133 15.173 -7.194 -5.775 1.00 0.00 C ATOM 2036 O GLN A 133 16.404 -7.167 -5.820 1.00 0.00 O ATOM 2037 CB GLN A 133 14.013 -5.071 -6.454 1.00 0.00 C ATOM 2038 CG GLN A 133 13.181 -4.308 -7.480 1.00 0.00 C ATOM 2039 CD GLN A 133 13.805 -4.298 -8.868 1.00 0.00 C ATOM 2040 OE1 GLN A 133 13.908 -5.335 -9.523 1.00 0.00 O ATOM 2041 NE2 GLN A 133 14.224 -3.121 -9.328 1.00 0.00 N ATOM 0 H GLN A 133 12.250 -6.713 -7.056 1.00 0.00 H new ATOM 0 HA GLN A 133 14.917 -6.501 -7.785 1.00 0.00 H new ATOM 0 HB2 GLN A 133 13.478 -5.084 -5.504 1.00 0.00 H new ATOM 0 HB3 GLN A 133 14.947 -4.534 -6.287 1.00 0.00 H new ATOM 0 HG2 GLN A 133 12.188 -4.754 -7.538 1.00 0.00 H new ATOM 0 HG3 GLN A 133 13.049 -3.281 -7.140 1.00 0.00 H new ATOM 0 HE21 GLN A 133 14.121 -2.284 -8.755 1.00 0.00 H new ATOM 0 HE22 GLN A 133 14.648 -3.057 -10.254 1.00 0.00 H new ATOM 2050 N TYR A 134 14.492 -7.804 -4.806 1.00 0.00 N ATOM 2051 CA TYR A 134 15.151 -8.499 -3.702 1.00 0.00 C ATOM 2052 C TYR A 134 14.118 -9.232 -2.843 1.00 0.00 C ATOM 2053 O TYR A 134 14.199 -9.219 -1.612 1.00 0.00 O ATOM 2054 CB TYR A 134 15.956 -7.514 -2.837 1.00 0.00 C ATOM 2055 CG TYR A 134 15.358 -6.124 -2.763 1.00 0.00 C ATOM 2056 CD1 TYR A 134 13.985 -5.939 -2.640 1.00 0.00 C ATOM 2057 CD2 TYR A 134 16.166 -4.998 -2.827 1.00 0.00 C ATOM 2058 CE1 TYR A 134 13.438 -4.674 -2.581 1.00 0.00 C ATOM 2059 CE2 TYR A 134 15.626 -3.728 -2.766 1.00 0.00 C ATOM 2060 CZ TYR A 134 14.263 -3.570 -2.644 1.00 0.00 C ATOM 2061 OH TYR A 134 13.720 -2.308 -2.590 1.00 0.00 O ATOM 0 H TYR A 134 13.473 -7.830 -4.764 1.00 0.00 H new ATOM 0 HA TYR A 134 15.842 -9.229 -4.124 1.00 0.00 H new ATOM 0 HB2 TYR A 134 16.038 -7.917 -1.827 1.00 0.00 H new ATOM 0 HB3 TYR A 134 16.968 -7.442 -3.234 1.00 0.00 H new ATOM 0 HD1 TYR A 134 13.336 -6.801 -2.590 1.00 0.00 H new ATOM 0 HD2 TYR A 134 17.235 -5.116 -2.926 1.00 0.00 H new ATOM 0 HE1 TYR A 134 12.370 -4.548 -2.486 1.00 0.00 H new ATOM 0 HE2 TYR A 134 16.270 -2.862 -2.814 1.00 0.00 H new ATOM 0 HH TYR A 134 14.436 -1.641 -2.645 1.00 0.00 H new ATOM 2071 N GLN A 135 13.134 -9.861 -3.503 1.00 0.00 N ATOM 2072 CA GLN A 135 12.071 -10.580 -2.805 1.00 0.00 C ATOM 2073 C GLN A 135 11.378 -9.648 -1.812 1.00 0.00 C ATOM 2074 O GLN A 135 11.596 -9.738 -0.601 1.00 0.00 O ATOM 2075 CB GLN A 135 12.635 -11.810 -2.083 1.00 0.00 C ATOM 2076 CG GLN A 135 13.149 -12.893 -3.022 1.00 0.00 C ATOM 2077 CD GLN A 135 12.035 -13.578 -3.792 1.00 0.00 C ATOM 2078 OE1 GLN A 135 11.560 -14.644 -3.401 1.00 0.00 O ATOM 2079 NE2 GLN A 135 11.608 -12.968 -4.894 1.00 0.00 N ATOM 0 H GLN A 135 13.057 -9.883 -4.520 1.00 0.00 H new ATOM 0 HA GLN A 135 11.340 -10.922 -3.537 1.00 0.00 H new ATOM 0 HB2 GLN A 135 13.447 -11.494 -1.428 1.00 0.00 H new ATOM 0 HB3 GLN A 135 11.858 -12.233 -1.446 1.00 0.00 H new ATOM 0 HG2 GLN A 135 13.854 -12.452 -3.727 1.00 0.00 H new ATOM 0 HG3 GLN A 135 13.698 -13.638 -2.445 1.00 0.00 H new ATOM 0 HE21 GLN A 135 12.029 -12.085 -5.184 1.00 0.00 H new ATOM 0 HE22 GLN A 135 10.860 -13.383 -5.449 1.00 0.00 H new ATOM 2088 N THR A 136 10.558 -8.735 -2.330 1.00 0.00 N ATOM 2089 CA THR A 136 9.859 -7.771 -1.486 1.00 0.00 C ATOM 2090 C THR A 136 8.344 -7.839 -1.692 1.00 0.00 C ATOM 2091 O THR A 136 7.864 -8.155 -2.783 1.00 0.00 O ATOM 2092 CB THR A 136 10.373 -6.357 -1.778 1.00 0.00 C ATOM 2093 OG1 THR A 136 9.805 -5.409 -0.887 1.00 0.00 O ATOM 2094 CG2 THR A 136 10.094 -5.892 -3.193 1.00 0.00 C ATOM 0 H THR A 136 10.363 -8.644 -3.327 1.00 0.00 H new ATOM 0 HA THR A 136 10.061 -8.022 -0.445 1.00 0.00 H new ATOM 0 HB THR A 136 11.453 -6.418 -1.642 1.00 0.00 H new ATOM 0 HG1 THR A 136 9.559 -5.854 -0.049 1.00 0.00 H new ATOM 0 HG21 THR A 136 10.485 -4.884 -3.328 1.00 0.00 H new ATOM 0 HG22 THR A 136 10.577 -6.567 -3.900 1.00 0.00 H new ATOM 0 HG23 THR A 136 9.018 -5.891 -3.370 1.00 0.00 H new ATOM 2102 N ASP A 137 7.599 -7.525 -0.631 1.00 0.00 N ATOM 2103 CA ASP A 137 6.139 -7.536 -0.676 1.00 0.00 C ATOM 2104 C ASP A 137 5.570 -6.247 -0.076 1.00 0.00 C ATOM 2105 O ASP A 137 5.488 -6.103 1.146 1.00 0.00 O ATOM 2106 CB ASP A 137 5.590 -8.753 0.079 1.00 0.00 C ATOM 2107 CG ASP A 137 5.156 -9.879 -0.846 1.00 0.00 C ATOM 2108 OD1 ASP A 137 5.881 -10.167 -1.820 1.00 0.00 O ATOM 2109 OD2 ASP A 137 4.097 -10.483 -0.587 1.00 0.00 O ATOM 0 H ASP A 137 7.987 -7.259 0.274 1.00 0.00 H new ATOM 0 HA ASP A 137 5.831 -7.600 -1.720 1.00 0.00 H new ATOM 0 HB2 ASP A 137 6.354 -9.125 0.762 1.00 0.00 H new ATOM 0 HB3 ASP A 137 4.741 -8.443 0.688 1.00 0.00 H new ATOM 2114 N LEU A 138 5.179 -5.315 -0.945 1.00 0.00 N ATOM 2115 CA LEU A 138 4.614 -4.036 -0.509 1.00 0.00 C ATOM 2116 C LEU A 138 3.112 -4.159 -0.261 1.00 0.00 C ATOM 2117 O LEU A 138 2.430 -4.944 -0.920 1.00 0.00 O ATOM 2118 CB LEU A 138 4.878 -2.949 -1.556 1.00 0.00 C ATOM 2119 CG LEU A 138 6.091 -2.058 -1.275 1.00 0.00 C ATOM 2120 CD1 LEU A 138 6.506 -1.310 -2.533 1.00 0.00 C ATOM 2121 CD2 LEU A 138 5.787 -1.083 -0.144 1.00 0.00 C ATOM 0 H LEU A 138 5.243 -5.421 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 138 5.100 -3.757 0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 138 5.014 -3.426 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 138 3.993 -2.318 -1.633 1.00 0.00 H new ATOM 0 HG LEU A 138 6.921 -2.693 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.370 -0.682 -2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 138 6.766 -2.026 -3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 138 5.680 -0.686 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.660 -0.458 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 138 4.943 -0.453 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 138 5.540 -1.640 0.760 1.00 0.00 H new ATOM 2133 N LEU A 139 2.605 -3.380 0.694 1.00 0.00 N ATOM 2134 CA LEU A 139 1.184 -3.407 1.034 1.00 0.00 C ATOM 2135 C LEU A 139 0.636 -1.997 1.248 1.00 0.00 C ATOM 2136 O LEU A 139 1.309 -1.140 1.824 1.00 0.00 O ATOM 2137 CB LEU A 139 0.957 -4.240 2.298 1.00 0.00 C ATOM 2138 CG LEU A 139 1.319 -5.724 2.178 1.00 0.00 C ATOM 2139 CD1 LEU A 139 2.041 -6.200 3.429 1.00 0.00 C ATOM 2140 CD2 LEU A 139 0.070 -6.557 1.929 1.00 0.00 C ATOM 0 H LEU A 139 3.157 -2.723 1.245 1.00 0.00 H new ATOM 0 HA LEU A 139 0.653 -3.860 0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.540 -3.805 3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.092 -4.161 2.582 1.00 0.00 H new ATOM 0 HG LEU A 139 1.990 -5.849 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 139 2.290 -7.256 3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 139 2.956 -5.623 3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.395 -6.063 4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 139 0.345 -7.609 1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -0.625 -6.428 2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -0.405 -6.232 1.003 1.00 0.00 H new ATOM 2152 N LEU A 140 -0.595 -1.777 0.792 1.00 0.00 N ATOM 2153 CA LEU A 140 -1.256 -0.482 0.937 1.00 0.00 C ATOM 2154 C LEU A 140 -2.628 -0.658 1.588 1.00 0.00 C ATOM 2155 O LEU A 140 -3.541 -1.218 0.980 1.00 0.00 O ATOM 2156 CB LEU A 140 -1.410 0.200 -0.426 1.00 0.00 C ATOM 2157 CG LEU A 140 -0.190 0.991 -0.902 1.00 0.00 C ATOM 2158 CD1 LEU A 140 0.942 0.051 -1.292 1.00 0.00 C ATOM 2159 CD2 LEU A 140 -0.567 1.892 -2.068 1.00 0.00 C ATOM 0 H LEU A 140 -1.157 -2.483 0.317 1.00 0.00 H new ATOM 0 HA LEU A 140 -0.637 0.149 1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -1.642 -0.561 -1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -2.265 0.874 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 140 0.158 1.617 -0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 140 1.800 0.634 -1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 140 1.228 -0.552 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 140 0.610 -0.603 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 140 0.311 2.449 -2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -0.940 1.284 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -1.342 2.590 -1.752 1.00 0.00 H new ATOM 2171 N THR A 141 -2.761 -0.184 2.826 1.00 0.00 N ATOM 2172 CA THR A 141 -4.020 -0.296 3.561 1.00 0.00 C ATOM 2173 C THR A 141 -4.844 0.988 3.445 1.00 0.00 C ATOM 2174 O THR A 141 -4.405 2.059 3.870 1.00 0.00 O ATOM 2175 CB THR A 141 -3.749 -0.609 5.036 1.00 0.00 C ATOM 2176 OG1 THR A 141 -2.599 -1.429 5.177 1.00 0.00 O ATOM 2177 CG2 THR A 141 -4.902 -1.314 5.720 1.00 0.00 C ATOM 0 H THR A 141 -2.013 0.281 3.341 1.00 0.00 H new ATOM 0 HA THR A 141 -4.593 -1.112 3.120 1.00 0.00 H new ATOM 0 HB THR A 141 -3.601 0.360 5.512 1.00 0.00 H new ATOM 0 HG1 THR A 141 -2.444 -1.615 6.127 1.00 0.00 H new ATOM 0 HG21 THR A 141 -4.645 -1.506 6.762 1.00 0.00 H new ATOM 0 HG22 THR A 141 -5.791 -0.685 5.676 1.00 0.00 H new ATOM 0 HG23 THR A 141 -5.101 -2.259 5.215 1.00 0.00 H new ATOM 2185 N PHE A 142 -6.038 0.870 2.864 1.00 0.00 N ATOM 2186 CA PHE A 142 -6.929 2.016 2.687 1.00 0.00 C ATOM 2187 C PHE A 142 -8.051 2.008 3.723 1.00 0.00 C ATOM 2188 O PHE A 142 -8.739 0.998 3.897 1.00 0.00 O ATOM 2189 CB PHE A 142 -7.528 2.004 1.279 1.00 0.00 C ATOM 2190 CG PHE A 142 -7.106 3.167 0.427 1.00 0.00 C ATOM 2191 CD1 PHE A 142 -5.853 3.191 -0.165 1.00 0.00 C ATOM 2192 CD2 PHE A 142 -7.969 4.229 0.208 1.00 0.00 C ATOM 2193 CE1 PHE A 142 -5.469 4.254 -0.960 1.00 0.00 C ATOM 2194 CE2 PHE A 142 -7.592 5.293 -0.587 1.00 0.00 C ATOM 2195 CZ PHE A 142 -6.340 5.306 -1.171 1.00 0.00 C ATOM 0 H PHE A 142 -6.411 -0.010 2.507 1.00 0.00 H new ATOM 0 HA PHE A 142 -6.341 2.923 2.824 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -7.241 1.078 0.781 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -8.615 2.000 1.358 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -5.170 2.370 -0.003 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -8.948 4.224 0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -4.490 4.263 -1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -8.275 6.114 -0.752 1.00 0.00 H new ATOM 0 HZ PHE A 142 -6.042 6.138 -1.792 1.00 0.00 H new ATOM 2205 N ASN A 143 -8.234 3.138 4.406 1.00 0.00 N ATOM 2206 CA ASN A 143 -9.274 3.263 5.426 1.00 0.00 C ATOM 2207 C ASN A 143 -10.329 4.290 5.012 1.00 0.00 C ATOM 2208 O ASN A 143 -10.027 5.476 4.863 1.00 0.00 O ATOM 2209 CB ASN A 143 -8.665 3.672 6.773 1.00 0.00 C ATOM 2210 CG ASN A 143 -7.489 2.801 7.182 1.00 0.00 C ATOM 2211 OD1 ASN A 143 -7.347 1.668 6.722 1.00 0.00 O ATOM 2212 ND2 ASN A 143 -6.638 3.330 8.055 1.00 0.00 N ATOM 0 H ASN A 143 -7.675 3.980 4.271 1.00 0.00 H new ATOM 0 HA ASN A 143 -9.752 2.289 5.529 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -8.339 4.711 6.718 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -9.434 3.620 7.544 1.00 0.00 H new ATOM 0 HD21 ASN A 143 -5.830 2.793 8.369 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -6.793 4.273 8.411 1.00 0.00 H new ATOM 2219 N GLN A 144 -11.568 3.829 4.837 1.00 0.00 N ATOM 2220 CA GLN A 144 -12.668 4.709 4.450 1.00 0.00 C ATOM 2221 C GLN A 144 -13.976 4.261 5.100 1.00 0.00 C ATOM 2222 O GLN A 144 -14.579 3.274 4.672 1.00 0.00 O ATOM 2223 CB GLN A 144 -12.826 4.735 2.928 1.00 0.00 C ATOM 2224 CG GLN A 144 -13.409 6.040 2.404 1.00 0.00 C ATOM 2225 CD GLN A 144 -14.390 5.834 1.263 1.00 0.00 C ATOM 2226 OE1 GLN A 144 -15.087 4.822 1.199 1.00 0.00 O ATOM 2227 NE2 GLN A 144 -14.449 6.803 0.353 1.00 0.00 N ATOM 0 H GLN A 144 -11.834 2.852 4.957 1.00 0.00 H new ATOM 0 HA GLN A 144 -12.432 5.715 4.798 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -11.853 4.569 2.466 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -13.469 3.910 2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -13.912 6.560 3.219 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -12.598 6.685 2.067 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -13.853 7.626 0.445 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -15.090 6.723 -0.436 1.00 0.00 H new ATOM 2236 N PRO A 145 -14.426 4.974 6.150 1.00 0.00 N ATOM 2237 CA PRO A 145 -15.669 4.642 6.861 1.00 0.00 C ATOM 2238 C PRO A 145 -16.913 4.867 6.000 1.00 0.00 C ATOM 2239 O PRO A 145 -17.264 6.010 5.695 1.00 0.00 O ATOM 2240 CB PRO A 145 -15.670 5.596 8.067 1.00 0.00 C ATOM 2241 CG PRO A 145 -14.291 6.166 8.136 1.00 0.00 C ATOM 2242 CD PRO A 145 -13.768 6.155 6.731 1.00 0.00 C ATOM 0 HA PRO A 145 -15.703 3.589 7.139 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -16.413 6.384 7.942 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -15.920 5.065 8.985 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -14.307 7.179 8.538 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -13.656 5.572 8.793 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -14.028 7.068 6.195 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -12.682 6.068 6.704 1.00 0.00 H new ATOM 2473 N PRO A 162 -17.305 11.282 -1.570 1.00 0.00 N ATOM 2474 CA PRO A 162 -15.882 11.101 -1.244 1.00 0.00 C ATOM 2475 C PRO A 162 -15.069 10.597 -2.441 1.00 0.00 C ATOM 2476 O PRO A 162 -15.574 10.538 -3.563 1.00 0.00 O ATOM 2477 CB PRO A 162 -15.918 10.052 -0.131 1.00 0.00 C ATOM 2478 CG PRO A 162 -17.141 9.249 -0.412 1.00 0.00 C ATOM 2479 CD PRO A 162 -18.143 10.209 -0.995 1.00 0.00 C ATOM 0 HA PRO A 162 -15.400 12.035 -0.956 1.00 0.00 H new ATOM 0 HB2 PRO A 162 -15.023 9.430 -0.144 1.00 0.00 H new ATOM 0 HB3 PRO A 162 -15.968 10.519 0.853 1.00 0.00 H new ATOM 0 HG2 PRO A 162 -16.925 8.440 -1.109 1.00 0.00 H new ATOM 0 HG3 PRO A 162 -17.525 8.790 0.499 1.00 0.00 H new ATOM 0 HD2 PRO A 162 -18.760 9.731 -1.756 1.00 0.00 H new ATOM 0 HD3 PRO A 162 -18.820 10.594 -0.232 1.00 0.00 H new ATOM 2487 N TRP A 163 -13.808 10.233 -2.197 1.00 0.00 N ATOM 2488 CA TRP A 163 -12.936 9.736 -3.262 1.00 0.00 C ATOM 2489 C TRP A 163 -13.322 8.312 -3.667 1.00 0.00 C ATOM 2490 O TRP A 163 -13.901 7.568 -2.875 1.00 0.00 O ATOM 2491 CB TRP A 163 -11.469 9.768 -2.822 1.00 0.00 C ATOM 2492 CG TRP A 163 -10.967 11.143 -2.499 1.00 0.00 C ATOM 2493 CD1 TRP A 163 -11.504 12.331 -2.905 1.00 0.00 C ATOM 2494 CD2 TRP A 163 -9.822 11.470 -1.704 1.00 0.00 C ATOM 2495 NE1 TRP A 163 -10.765 13.377 -2.407 1.00 0.00 N ATOM 2496 CE2 TRP A 163 -9.723 12.873 -1.670 1.00 0.00 C ATOM 2497 CE3 TRP A 163 -8.868 10.711 -1.021 1.00 0.00 C ATOM 2498 CZ2 TRP A 163 -8.714 13.532 -0.972 1.00 0.00 C ATOM 2499 CZ3 TRP A 163 -7.866 11.365 -0.331 1.00 0.00 C ATOM 2500 CH2 TRP A 163 -7.795 12.763 -0.314 1.00 0.00 C ATOM 0 H TRP A 163 -13.370 10.273 -1.277 1.00 0.00 H new ATOM 0 HA TRP A 163 -13.062 10.391 -4.124 1.00 0.00 H new ATOM 0 HB2 TRP A 163 -11.348 9.131 -1.946 1.00 0.00 H new ATOM 0 HB3 TRP A 163 -10.852 9.342 -3.613 1.00 0.00 H new ATOM 0 HD1 TRP A 163 -12.381 12.434 -3.527 1.00 0.00 H new ATOM 0 HE1 TRP A 163 -10.959 14.367 -2.560 1.00 0.00 H new ATOM 0 HE3 TRP A 163 -8.913 9.632 -1.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 163 -8.660 14.610 -0.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 163 -7.126 10.789 0.204 1.00 0.00 H new ATOM 0 HH2 TRP A 163 -6.997 13.245 0.231 1.00 0.00 H new ATOM 2511 N SER A 164 -13.000 7.946 -4.909 1.00 0.00 N ATOM 2512 CA SER A 164 -13.312 6.615 -5.430 1.00 0.00 C ATOM 2513 C SER A 164 -12.030 5.859 -5.803 1.00 0.00 C ATOM 2514 O SER A 164 -10.937 6.239 -5.380 1.00 0.00 O ATOM 2515 CB SER A 164 -14.237 6.731 -6.647 1.00 0.00 C ATOM 2516 OG SER A 164 -15.080 7.869 -6.547 1.00 0.00 O ATOM 0 H SER A 164 -12.522 8.555 -5.574 1.00 0.00 H new ATOM 0 HA SER A 164 -13.822 6.050 -4.650 1.00 0.00 H new ATOM 0 HB2 SER A 164 -13.639 6.797 -7.556 1.00 0.00 H new ATOM 0 HB3 SER A 164 -14.846 5.831 -6.731 1.00 0.00 H new ATOM 0 HG SER A 164 -15.658 7.919 -7.337 1.00 0.00 H new ATOM 2522 N LEU A 165 -12.172 4.787 -6.594 1.00 0.00 N ATOM 2523 CA LEU A 165 -11.022 3.980 -7.020 1.00 0.00 C ATOM 2524 C LEU A 165 -9.950 4.838 -7.698 1.00 0.00 C ATOM 2525 O LEU A 165 -8.762 4.510 -7.644 1.00 0.00 O ATOM 2526 CB LEU A 165 -11.467 2.865 -7.976 1.00 0.00 C ATOM 2527 CG LEU A 165 -10.940 1.471 -7.628 1.00 0.00 C ATOM 2528 CD1 LEU A 165 -11.673 0.407 -8.432 1.00 0.00 C ATOM 2529 CD2 LEU A 165 -9.441 1.392 -7.874 1.00 0.00 C ATOM 0 H LEU A 165 -13.070 4.460 -6.951 1.00 0.00 H new ATOM 0 HA LEU A 165 -10.590 3.536 -6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -12.556 2.833 -7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -11.141 3.119 -8.985 1.00 0.00 H new ATOM 0 HG LEU A 165 -11.124 1.287 -6.570 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -11.285 -0.578 -8.171 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -12.738 0.449 -8.205 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -11.522 0.587 -9.496 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -9.083 0.394 -7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -9.233 1.597 -8.924 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -8.931 2.128 -7.253 1.00 0.00 H new ATOM 2541 N GLY A 166 -10.372 5.937 -8.332 1.00 0.00 N ATOM 2542 CA GLY A 166 -9.435 6.823 -9.003 1.00 0.00 C ATOM 2543 C GLY A 166 -8.306 7.273 -8.094 1.00 0.00 C ATOM 2544 O GLY A 166 -7.137 7.232 -8.480 1.00 0.00 O ATOM 0 H GLY A 166 -11.348 6.226 -8.391 1.00 0.00 H new ATOM 0 HA2 GLY A 166 -9.017 6.314 -9.871 1.00 0.00 H new ATOM 0 HA3 GLY A 166 -9.969 7.698 -9.373 1.00 0.00 H new ATOM 2548 N ASP A 167 -8.657 7.694 -6.877 1.00 0.00 N ATOM 2549 CA ASP A 167 -7.665 8.145 -5.904 1.00 0.00 C ATOM 2550 C ASP A 167 -6.761 6.991 -5.474 1.00 0.00 C ATOM 2551 O ASP A 167 -5.551 7.165 -5.322 1.00 0.00 O ATOM 2552 CB ASP A 167 -8.351 8.762 -4.678 1.00 0.00 C ATOM 2553 CG ASP A 167 -7.579 9.941 -4.120 1.00 0.00 C ATOM 2554 OD1 ASP A 167 -6.707 9.726 -3.252 1.00 0.00 O ATOM 2555 OD2 ASP A 167 -7.850 11.083 -4.550 1.00 0.00 O ATOM 0 H ASP A 167 -9.620 7.731 -6.544 1.00 0.00 H new ATOM 0 HA ASP A 167 -7.050 8.907 -6.381 1.00 0.00 H new ATOM 0 HB2 ASP A 167 -9.356 9.085 -4.951 1.00 0.00 H new ATOM 0 HB3 ASP A 167 -8.459 8.002 -3.904 1.00 0.00 H new ATOM 2560 N PHE A 168 -7.356 5.812 -5.287 1.00 0.00 N ATOM 2561 CA PHE A 168 -6.605 4.623 -4.886 1.00 0.00 C ATOM 2562 C PHE A 168 -5.526 4.292 -5.915 1.00 0.00 C ATOM 2563 O PHE A 168 -4.365 4.082 -5.560 1.00 0.00 O ATOM 2564 CB PHE A 168 -7.545 3.426 -4.711 1.00 0.00 C ATOM 2565 CG PHE A 168 -6.832 2.153 -4.344 1.00 0.00 C ATOM 2566 CD1 PHE A 168 -6.588 1.841 -3.018 1.00 0.00 C ATOM 2567 CD2 PHE A 168 -6.396 1.278 -5.328 1.00 0.00 C ATOM 2568 CE1 PHE A 168 -5.924 0.678 -2.677 1.00 0.00 C ATOM 2569 CE2 PHE A 168 -5.732 0.113 -4.992 1.00 0.00 C ATOM 2570 CZ PHE A 168 -5.494 -0.186 -3.665 1.00 0.00 C ATOM 0 H PHE A 168 -8.357 5.656 -5.407 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.123 4.835 -3.931 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -8.277 3.659 -3.938 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -8.098 3.270 -5.637 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -6.920 2.514 -2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -6.577 1.509 -6.367 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -5.741 0.445 -1.638 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -5.400 -0.563 -5.766 1.00 0.00 H new ATOM 0 HZ PHE A 168 -4.973 -1.094 -3.400 1.00 0.00 H new ATOM 2580 N GLU A 169 -5.916 4.248 -7.192 1.00 0.00 N ATOM 2581 CA GLU A 169 -4.977 3.945 -8.273 1.00 0.00 C ATOM 2582 C GLU A 169 -3.799 4.918 -8.253 1.00 0.00 C ATOM 2583 O GLU A 169 -2.672 4.545 -8.583 1.00 0.00 O ATOM 2584 CB GLU A 169 -5.681 4.001 -9.631 1.00 0.00 C ATOM 2585 CG GLU A 169 -6.307 2.676 -10.045 1.00 0.00 C ATOM 2586 CD GLU A 169 -5.677 2.102 -11.299 1.00 0.00 C ATOM 2587 OE1 GLU A 169 -4.489 1.716 -11.244 1.00 0.00 O ATOM 2588 OE2 GLU A 169 -6.370 2.039 -12.336 1.00 0.00 O ATOM 0 H GLU A 169 -6.873 4.418 -7.501 1.00 0.00 H new ATOM 0 HA GLU A 169 -4.598 2.935 -8.118 1.00 0.00 H new ATOM 0 HB2 GLU A 169 -6.457 4.766 -9.598 1.00 0.00 H new ATOM 0 HB3 GLU A 169 -4.963 4.308 -10.391 1.00 0.00 H new ATOM 0 HG2 GLU A 169 -6.204 1.959 -9.230 1.00 0.00 H new ATOM 0 HG3 GLU A 169 -7.375 2.819 -10.211 1.00 0.00 H new ATOM 2595 N GLN A 170 -4.066 6.163 -7.853 1.00 0.00 N ATOM 2596 CA GLN A 170 -3.030 7.187 -7.775 1.00 0.00 C ATOM 2597 C GLN A 170 -1.941 6.789 -6.774 1.00 0.00 C ATOM 2598 O GLN A 170 -0.760 7.055 -6.993 1.00 0.00 O ATOM 2599 CB GLN A 170 -3.645 8.534 -7.382 1.00 0.00 C ATOM 2600 CG GLN A 170 -3.040 9.717 -8.118 1.00 0.00 C ATOM 2601 CD GLN A 170 -1.692 10.121 -7.552 1.00 0.00 C ATOM 2602 OE1 GLN A 170 -1.598 10.590 -6.418 1.00 0.00 O ATOM 2603 NE2 GLN A 170 -0.640 9.939 -8.341 1.00 0.00 N ATOM 0 H GLN A 170 -4.994 6.484 -7.578 1.00 0.00 H new ATOM 0 HA GLN A 170 -2.570 7.282 -8.759 1.00 0.00 H new ATOM 0 HB2 GLN A 170 -4.717 8.505 -7.577 1.00 0.00 H new ATOM 0 HB3 GLN A 170 -3.520 8.682 -6.309 1.00 0.00 H new ATOM 0 HG2 GLN A 170 -2.928 9.467 -9.173 1.00 0.00 H new ATOM 0 HG3 GLN A 170 -3.723 10.564 -8.062 1.00 0.00 H new ATOM 0 HE21 GLN A 170 -0.764 9.547 -9.274 1.00 0.00 H new ATOM 0 HE22 GLN A 170 0.293 10.191 -8.014 1.00 0.00 H new ATOM 2612 N LEU A 171 -2.341 6.137 -5.677 1.00 0.00 N ATOM 2613 CA LEU A 171 -1.387 5.698 -4.660 1.00 0.00 C ATOM 2614 C LEU A 171 -0.462 4.613 -5.214 1.00 0.00 C ATOM 2615 O LEU A 171 0.675 4.473 -4.764 1.00 0.00 O ATOM 2616 CB LEU A 171 -2.114 5.185 -3.411 1.00 0.00 C ATOM 2617 CG LEU A 171 -1.604 5.756 -2.080 1.00 0.00 C ATOM 2618 CD1 LEU A 171 -0.223 5.207 -1.751 1.00 0.00 C ATOM 2619 CD2 LEU A 171 -1.576 7.280 -2.121 1.00 0.00 C ATOM 0 H LEU A 171 -3.313 5.904 -5.474 1.00 0.00 H new ATOM 0 HA LEU A 171 -0.782 6.560 -4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -3.175 5.418 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -2.027 4.099 -3.380 1.00 0.00 H new ATOM 0 HG LEU A 171 -2.293 5.446 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 171 0.119 5.625 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 171 -0.273 4.121 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 171 0.475 5.481 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 171 -1.212 7.663 -1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 171 -0.914 7.610 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 171 -2.582 7.658 -2.303 1.00 0.00 H new ATOM 2631 N VAL A 172 -0.942 3.857 -6.201 1.00 0.00 N ATOM 2632 CA VAL A 172 -0.132 2.808 -6.814 1.00 0.00 C ATOM 2633 C VAL A 172 1.042 3.426 -7.567 1.00 0.00 C ATOM 2634 O VAL A 172 2.159 2.909 -7.528 1.00 0.00 O ATOM 2635 CB VAL A 172 -0.955 1.922 -7.776 1.00 0.00 C ATOM 2636 CG1 VAL A 172 -0.133 0.727 -8.239 1.00 0.00 C ATOM 2637 CG2 VAL A 172 -2.254 1.467 -7.118 1.00 0.00 C ATOM 0 H VAL A 172 -1.880 3.951 -6.590 1.00 0.00 H new ATOM 0 HA VAL A 172 0.235 2.172 -6.009 1.00 0.00 H new ATOM 0 HB VAL A 172 -1.213 2.517 -8.652 1.00 0.00 H new ATOM 0 HG11 VAL A 172 -0.730 0.115 -8.916 1.00 0.00 H new ATOM 0 HG12 VAL A 172 0.759 1.078 -8.758 1.00 0.00 H new ATOM 0 HG13 VAL A 172 0.161 0.131 -7.375 1.00 0.00 H new ATOM 0 HG21 VAL A 172 -2.816 0.845 -7.814 1.00 0.00 H new ATOM 0 HG22 VAL A 172 -2.025 0.892 -6.221 1.00 0.00 H new ATOM 0 HG23 VAL A 172 -2.850 2.339 -6.848 1.00 0.00 H new ATOM 2647 N THR A 173 0.785 4.553 -8.230 1.00 0.00 N ATOM 2648 CA THR A 173 1.830 5.264 -8.964 1.00 0.00 C ATOM 2649 C THR A 173 2.739 6.038 -8.006 1.00 0.00 C ATOM 2650 O THR A 173 3.771 6.571 -8.414 1.00 0.00 O ATOM 2651 CB THR A 173 1.222 6.229 -9.974 1.00 0.00 C ATOM 2652 OG1 THR A 173 0.202 7.008 -9.380 1.00 0.00 O ATOM 2653 CG2 THR A 173 0.628 5.542 -11.185 1.00 0.00 C ATOM 0 H THR A 173 -0.135 4.992 -8.274 1.00 0.00 H new ATOM 0 HA THR A 173 2.423 4.519 -9.495 1.00 0.00 H new ATOM 0 HB THR A 173 2.053 6.853 -10.303 1.00 0.00 H new ATOM 0 HG1 THR A 173 0.325 7.022 -8.408 1.00 0.00 H new ATOM 0 HG21 THR A 173 0.214 6.290 -11.861 1.00 0.00 H new ATOM 0 HG22 THR A 173 1.405 4.978 -11.701 1.00 0.00 H new ATOM 0 HG23 THR A 173 -0.163 4.863 -10.867 1.00 0.00 H new ATOM 2661 N SER A 174 2.349 6.093 -6.730 1.00 0.00 N ATOM 2662 CA SER A 174 3.124 6.794 -5.707 1.00 0.00 C ATOM 2663 C SER A 174 4.433 6.056 -5.352 1.00 0.00 C ATOM 2664 O SER A 174 5.040 6.324 -4.314 1.00 0.00 O ATOM 2665 CB SER A 174 2.273 6.988 -4.445 1.00 0.00 C ATOM 2666 OG SER A 174 1.062 7.657 -4.744 1.00 0.00 O ATOM 0 H SER A 174 1.496 5.657 -6.381 1.00 0.00 H new ATOM 0 HA SER A 174 3.401 7.764 -6.119 1.00 0.00 H new ATOM 0 HB2 SER A 174 2.055 6.018 -3.997 1.00 0.00 H new ATOM 0 HB3 SER A 174 2.836 7.561 -3.708 1.00 0.00 H new ATOM 0 HG SER A 174 1.035 8.513 -4.268 1.00 0.00 H new ATOM 2672 N LEU A 175 4.876 5.134 -6.213 1.00 0.00 N ATOM 2673 CA LEU A 175 6.115 4.400 -5.976 1.00 0.00 C ATOM 2674 C LEU A 175 7.014 4.455 -7.217 1.00 0.00 C ATOM 2675 O LEU A 175 7.770 3.520 -7.489 1.00 0.00 O ATOM 2676 CB LEU A 175 5.803 2.946 -5.603 1.00 0.00 C ATOM 2677 CG LEU A 175 6.890 2.223 -4.803 1.00 0.00 C ATOM 2678 CD1 LEU A 175 6.519 2.160 -3.327 1.00 0.00 C ATOM 2679 CD2 LEU A 175 7.113 0.823 -5.362 1.00 0.00 C ATOM 0 H LEU A 175 4.394 4.882 -7.076 1.00 0.00 H new ATOM 0 HA LEU A 175 6.646 4.867 -5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 175 4.879 2.928 -5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 175 5.618 2.386 -6.519 1.00 0.00 H new ATOM 0 HG LEU A 175 7.820 2.785 -4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 175 7.304 1.642 -2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 175 6.408 3.171 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 175 5.579 1.621 -3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 175 7.888 0.320 -4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 175 6.186 0.254 -5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 175 7.425 0.893 -6.404 1.00 0.00 H new ATOM 2691 N THR A 176 6.926 5.561 -7.970 1.00 0.00 N ATOM 2692 CA THR A 176 7.732 5.730 -9.182 1.00 0.00 C ATOM 2693 C THR A 176 9.222 5.664 -8.858 1.00 0.00 C ATOM 2694 O THR A 176 9.719 6.418 -8.019 1.00 0.00 O ATOM 2695 CB THR A 176 7.404 7.054 -9.884 1.00 0.00 C ATOM 2696 OG1 THR A 176 7.640 8.162 -9.029 1.00 0.00 O ATOM 2697 CG2 THR A 176 5.969 7.137 -10.370 1.00 0.00 C ATOM 0 H THR A 176 6.308 6.345 -7.761 1.00 0.00 H new ATOM 0 HA THR A 176 7.485 4.911 -9.858 1.00 0.00 H new ATOM 0 HB THR A 176 8.066 7.086 -10.749 1.00 0.00 H new ATOM 0 HG1 THR A 176 8.435 8.647 -9.334 1.00 0.00 H new ATOM 0 HG21 THR A 176 5.805 8.098 -10.857 1.00 0.00 H new ATOM 0 HG22 THR A 176 5.779 6.333 -11.081 1.00 0.00 H new ATOM 0 HG23 THR A 176 5.291 7.039 -9.522 1.00 0.00 H new ATOM 2705 N LEU A 177 9.927 4.749 -9.522 1.00 0.00 N ATOM 2706 CA LEU A 177 11.357 4.573 -9.302 1.00 0.00 C ATOM 2707 C LEU A 177 12.169 5.538 -10.159 1.00 0.00 C ATOM 2708 O LEU A 177 11.889 5.720 -11.345 1.00 0.00 O ATOM 2709 CB LEU A 177 11.772 3.131 -9.605 1.00 0.00 C ATOM 2710 CG LEU A 177 13.156 2.730 -9.087 1.00 0.00 C ATOM 2711 CD1 LEU A 177 13.303 3.082 -7.612 1.00 0.00 C ATOM 2712 CD2 LEU A 177 13.396 1.244 -9.310 1.00 0.00 C ATOM 0 H LEU A 177 9.528 4.118 -10.217 1.00 0.00 H new ATOM 0 HA LEU A 177 11.561 4.790 -8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 177 11.031 2.458 -9.174 1.00 0.00 H new ATOM 0 HB3 LEU A 177 11.748 2.982 -10.684 1.00 0.00 H new ATOM 0 HG LEU A 177 13.907 3.289 -9.646 1.00 0.00 H new ATOM 0 HD11 LEU A 177 14.294 2.788 -7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 177 13.176 4.156 -7.480 1.00 0.00 H new ATOM 0 HD13 LEU A 177 12.545 2.553 -7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 177 14.384 0.975 -8.936 1.00 0.00 H new ATOM 0 HD22 LEU A 177 12.638 0.669 -8.778 1.00 0.00 H new ATOM 0 HD23 LEU A 177 13.338 1.022 -10.376 1.00 0.00 H new ATOM 2724 N HIS A 178 13.181 6.150 -9.546 1.00 0.00 N ATOM 2725 CA HIS A 178 14.048 7.099 -10.241 1.00 0.00 C ATOM 2726 C HIS A 178 15.508 6.890 -9.838 1.00 0.00 C ATOM 2727 O HIS A 178 16.371 6.697 -10.695 1.00 0.00 O ATOM 2728 CB HIS A 178 13.616 8.540 -9.940 1.00 0.00 C ATOM 2729 CG HIS A 178 12.197 8.832 -10.321 1.00 0.00 C ATOM 2730 ND1 HIS A 178 11.823 9.241 -11.584 1.00 0.00 N ATOM 2731 CD2 HIS A 178 11.055 8.768 -9.595 1.00 0.00 C ATOM 2732 CE1 HIS A 178 10.514 9.416 -11.617 1.00 0.00 C ATOM 2733 NE2 HIS A 178 10.026 9.137 -10.423 1.00 0.00 N ATOM 0 H HIS A 178 13.421 6.004 -8.565 1.00 0.00 H new ATOM 0 HA HIS A 178 13.956 6.924 -11.313 1.00 0.00 H new ATOM 0 HB2 HIS A 178 13.745 8.734 -8.875 1.00 0.00 H new ATOM 0 HB3 HIS A 178 14.275 9.227 -10.471 1.00 0.00 H new ATOM 0 HD1 HIS A 178 12.458 9.386 -12.369 1.00 0.00 H new ATOM 0 HD2 HIS A 178 10.971 8.480 -8.558 1.00 0.00 H new ATOM 0 HE1 HIS A 178 9.941 9.733 -12.475 1.00 0.00 H new ATOM 2742 N ASP A 179 15.769 6.919 -8.531 1.00 0.00 N ATOM 2743 CA ASP A 179 17.119 6.724 -8.007 1.00 0.00 C ATOM 2744 C ASP A 179 17.144 5.553 -7.020 1.00 0.00 C ATOM 2745 O ASP A 179 16.660 5.678 -5.892 1.00 0.00 O ATOM 2746 CB ASP A 179 17.618 8.003 -7.328 1.00 0.00 C ATOM 2747 CG ASP A 179 18.419 8.884 -8.267 1.00 0.00 C ATOM 2748 OD1 ASP A 179 19.503 8.450 -8.711 1.00 0.00 O ATOM 2749 OD2 ASP A 179 17.961 10.009 -8.559 1.00 0.00 O ATOM 0 H ASP A 179 15.060 7.076 -7.815 1.00 0.00 H new ATOM 0 HA ASP A 179 17.783 6.491 -8.839 1.00 0.00 H new ATOM 0 HB2 ASP A 179 16.765 8.565 -6.947 1.00 0.00 H new ATOM 0 HB3 ASP A 179 18.235 7.738 -6.469 1.00 0.00 H new ATOM 2754 N PRO A 180 17.701 4.395 -7.433 1.00 0.00 N ATOM 2755 CA PRO A 180 17.777 3.196 -6.584 1.00 0.00 C ATOM 2756 C PRO A 180 18.840 3.307 -5.489 1.00 0.00 C ATOM 2757 O PRO A 180 19.823 2.562 -5.482 1.00 0.00 O ATOM 2758 CB PRO A 180 18.137 2.090 -7.579 1.00 0.00 C ATOM 2759 CG PRO A 180 18.906 2.788 -8.643 1.00 0.00 C ATOM 2760 CD PRO A 180 18.292 4.159 -8.767 1.00 0.00 C ATOM 0 HA PRO A 180 16.847 3.021 -6.042 1.00 0.00 H new ATOM 0 HB2 PRO A 180 18.732 1.308 -7.106 1.00 0.00 H new ATOM 0 HB3 PRO A 180 17.244 1.612 -7.982 1.00 0.00 H new ATOM 0 HG2 PRO A 180 19.962 2.855 -8.381 1.00 0.00 H new ATOM 0 HG3 PRO A 180 18.846 2.247 -9.587 1.00 0.00 H new ATOM 0 HD2 PRO A 180 19.040 4.913 -9.014 1.00 0.00 H new ATOM 0 HD3 PRO A 180 17.536 4.191 -9.552 1.00 0.00 H new