USER MOD reduce.3.24.130724 H: found=0, std=0, add=996, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 998 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 93 TYR OH : rot 27:sc= 1.19 USER MOD Set 1.2: A 98 MET CE :methyl -113:sc= -0.0533 (180deg=-1.22) USER MOD Set 2.1: A 78 LYS NZ :NH3+ -116:sc= 1.43 (180deg=0.43) USER MOD Set 2.2: A 120 THR OG1 : rot 180:sc= 0.539 USER MOD Set 3.1: A 24 LYS NZ :NH3+ -126:sc= 0.106 (180deg=-0.471) USER MOD Set 3.2: A 33 THR OG1 : rot 180:sc= 0.275 USER MOD Single : A 8 HIS : no HE2:sc= 0.177 K(o=0.18,f=-0.72) USER MOD Single : A 9 LYS NZ :NH3+ -159:sc= 0.786 (180deg=0.271) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0612) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 26 MET CE :methyl -156:sc= -0.156 (180deg=-0.87) USER MOD Single : A 27 TYR OH : rot 49:sc= 0.196 USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.14) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl -140:sc= 0 (180deg=-0.378) USER MOD Single : A 41 THR OG1 : rot 130:sc= -1.03 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0247 USER MOD Single : A 62 THR OG1 : rot 78:sc= 0.387 USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= 0.745 (180deg=0.516) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -167:sc= -0.428 (180deg=-0.914) USER MOD Single : A 68 ASN : amide:sc= 1.18 K(o=1.2,f=-0.092) USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= -0.0503 (180deg=-0.328) USER MOD Single : A 71 LYS NZ :NH3+ 157:sc= 0.544 (180deg=0.292) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.743 F(o=-2.2!,f=-0.74) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot -8:sc= 1.29 USER MOD Single : A 97 LYS NZ :NH3+ -166:sc= -0.0451 (180deg=-0.262) USER MOD Single : A 100 ASN : amide:sc= -0.097 K(o=-0.097,f=-5.3!) USER MOD Single : A 106 GLN : amide:sc= -0.635 X(o=-0.64,f=-0.18) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0099) USER MOD Single : A 118 ASN : amide:sc= 0.665 K(o=0.66,f=-6.3!) USER MOD Single : A 119 ASN :FLIP amide:sc= -0.239 F(o=-0.8,f=-0.24) USER MOD Single : A 121 HIS : no HD1:sc= 0.828 K(o=0.83,f=-3.5!) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot -98:sc= -0.222 USER MOD Single : A 131 GLN :FLIP amide:sc= -0.101 F(o=-0.65,f=-0.1) USER MOD Single : A 133 LYS NZ :NH3+ -155:sc= 0.676 (180deg=0.379) USER MOD Single : A 134 LYS NZ :NH3+ -153:sc= 1.26 (180deg=0.694) USER MOD Single : A 136 LYS NZ :NH3+ -163:sc= 0.361 (180deg=-0.0832) USER MOD Single : A 138 ASN : amide:sc= -2.23! C(o=-2.2!,f=-2!) USER MOD Single : A 141 SER OG : rot -51:sc= 0.104 USER MOD ----------------------------------------------------------------- ATOM 115 N HIS A 8 -5.078 -16.598 2.667 1.00 0.00 N ATOM 116 CA HIS A 8 -4.877 -17.311 1.403 1.00 0.00 C ATOM 117 C HIS A 8 -4.908 -16.369 0.220 1.00 0.00 C ATOM 118 O HIS A 8 -5.661 -15.395 0.223 1.00 0.00 O ATOM 119 CB HIS A 8 -5.928 -18.433 1.203 1.00 0.00 C ATOM 120 CG HIS A 8 -7.339 -17.956 0.946 1.00 0.00 C ATOM 121 ND1 HIS A 8 -7.987 -18.109 -0.267 1.00 0.00 N ATOM 122 CD2 HIS A 8 -8.215 -17.330 1.755 1.00 0.00 C ATOM 123 CE1 HIS A 8 -9.194 -17.598 -0.179 1.00 0.00 C ATOM 124 NE2 HIS A 8 -9.362 -17.118 1.036 1.00 0.00 N ATOM 0 HA HIS A 8 -3.889 -17.767 1.460 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.615 -19.057 0.366 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.932 -19.067 2.090 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -7.590 -18.549 -1.098 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -8.045 -17.047 2.783 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.927 -17.575 -0.972 1.00 0.00 H new ATOM 133 N LYS A 9 -4.122 -16.677 -0.782 1.00 0.00 N ATOM 134 CA LYS A 9 -4.082 -15.910 -1.989 1.00 0.00 C ATOM 135 C LYS A 9 -5.027 -16.455 -3.006 1.00 0.00 C ATOM 136 O LYS A 9 -5.245 -17.670 -3.090 1.00 0.00 O ATOM 137 CB LYS A 9 -2.717 -15.911 -2.638 1.00 0.00 C ATOM 138 CG LYS A 9 -1.667 -15.037 -2.013 1.00 0.00 C ATOM 139 CD LYS A 9 -1.040 -15.652 -0.794 1.00 0.00 C ATOM 140 CE LYS A 9 0.283 -14.970 -0.469 1.00 0.00 C ATOM 141 NZ LYS A 9 1.294 -15.176 -1.547 1.00 0.00 N ATOM 0 H LYS A 9 -3.488 -17.476 -0.776 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.353 -14.898 -1.689 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.345 -16.936 -2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.836 -15.608 -3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.890 -14.829 -2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.113 -14.080 -1.742 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.719 -15.564 0.054 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.875 -16.716 -0.961 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.116 -13.902 -0.327 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.671 -15.360 0.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.248 -15.024 -1.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.219 -16.147 -1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.121 -14.501 -2.319 1.00 0.00 H new ATOM 155 N GLU A 10 -5.551 -15.574 -3.770 1.00 0.00 N ATOM 156 CA GLU A 10 -6.373 -15.872 -4.914 1.00 0.00 C ATOM 157 C GLU A 10 -5.753 -15.130 -6.097 1.00 0.00 C ATOM 158 O GLU A 10 -5.277 -14.003 -5.920 1.00 0.00 O ATOM 159 CB GLU A 10 -7.812 -15.394 -4.689 1.00 0.00 C ATOM 160 CG GLU A 10 -8.550 -16.061 -3.531 1.00 0.00 C ATOM 161 CD GLU A 10 -8.789 -17.534 -3.734 1.00 0.00 C ATOM 162 OE1 GLU A 10 -9.794 -17.899 -4.376 1.00 0.00 O ATOM 163 OE2 GLU A 10 -8.020 -18.352 -3.221 1.00 0.00 O ATOM 0 H GLU A 10 -5.422 -14.573 -3.621 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.414 -16.946 -5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.797 -14.318 -4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.380 -15.562 -5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.976 -15.918 -2.615 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.509 -15.563 -3.388 1.00 0.00 H new ATOM 170 N PRO A 11 -5.710 -15.730 -7.287 1.00 0.00 N ATOM 171 CA PRO A 11 -5.060 -15.119 -8.454 1.00 0.00 C ATOM 172 C PRO A 11 -5.853 -13.948 -9.055 1.00 0.00 C ATOM 173 O PRO A 11 -7.074 -14.024 -9.255 1.00 0.00 O ATOM 174 CB PRO A 11 -4.968 -16.271 -9.449 1.00 0.00 C ATOM 175 CG PRO A 11 -6.110 -17.156 -9.095 1.00 0.00 C ATOM 176 CD PRO A 11 -6.278 -17.054 -7.606 1.00 0.00 C ATOM 0 HA PRO A 11 -4.098 -14.681 -8.187 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.044 -15.916 -10.477 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.017 -16.796 -9.363 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.018 -16.844 -9.611 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.911 -18.185 -9.394 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.326 -17.122 -7.314 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.750 -17.853 -7.086 1.00 0.00 H new ATOM 184 N ALA A 12 -5.155 -12.879 -9.347 1.00 0.00 N ATOM 185 CA ALA A 12 -5.741 -11.699 -9.922 1.00 0.00 C ATOM 186 C ALA A 12 -4.827 -11.105 -10.994 1.00 0.00 C ATOM 187 O ALA A 12 -3.687 -11.546 -11.179 1.00 0.00 O ATOM 188 CB ALA A 12 -5.997 -10.676 -8.832 1.00 0.00 C ATOM 0 H ALA A 12 -4.150 -12.805 -9.189 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.685 -11.972 -10.393 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.441 -9.782 -9.269 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.679 -11.095 -8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.055 -10.414 -8.350 1.00 0.00 H new ATOM 194 N THR A 13 -5.353 -10.154 -11.722 1.00 0.00 N ATOM 195 CA THR A 13 -4.623 -9.400 -12.726 1.00 0.00 C ATOM 196 C THR A 13 -5.209 -7.982 -12.727 1.00 0.00 C ATOM 197 O THR A 13 -6.409 -7.843 -12.556 1.00 0.00 O ATOM 198 CB THR A 13 -4.801 -10.050 -14.122 1.00 0.00 C ATOM 199 OG1 THR A 13 -4.391 -11.436 -14.063 1.00 0.00 O ATOM 200 CG2 THR A 13 -3.964 -9.326 -15.170 1.00 0.00 C ATOM 0 H THR A 13 -6.329 -9.870 -11.635 1.00 0.00 H new ATOM 0 HA THR A 13 -3.556 -9.385 -12.502 1.00 0.00 H new ATOM 0 HB THR A 13 -5.852 -9.979 -14.403 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.505 -11.849 -14.945 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.106 -9.801 -16.141 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.275 -8.283 -15.227 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.911 -9.376 -14.893 1.00 0.00 H new ATOM 208 N LEU A 14 -4.396 -6.951 -12.891 1.00 0.00 N ATOM 209 CA LEU A 14 -4.909 -5.583 -12.806 1.00 0.00 C ATOM 210 C LEU A 14 -5.742 -5.212 -14.022 1.00 0.00 C ATOM 211 O LEU A 14 -5.441 -5.618 -15.143 1.00 0.00 O ATOM 212 CB LEU A 14 -3.791 -4.543 -12.680 1.00 0.00 C ATOM 213 CG LEU A 14 -4.297 -3.100 -12.507 1.00 0.00 C ATOM 214 CD1 LEU A 14 -4.797 -2.851 -11.100 1.00 0.00 C ATOM 215 CD2 LEU A 14 -3.281 -2.070 -12.941 1.00 0.00 C ATOM 0 H LEU A 14 -3.397 -7.026 -13.080 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.525 -5.569 -11.907 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.162 -4.802 -11.828 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.161 -4.592 -13.568 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.148 -2.984 -13.178 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.146 -1.822 -11.015 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.619 -3.533 -10.880 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.986 -3.019 -10.391 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.692 -1.071 -12.797 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.375 -2.179 -12.345 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.042 -2.216 -13.995 1.00 0.00 H new ATOM 227 N ILE A 15 -6.798 -4.460 -13.786 1.00 0.00 N ATOM 228 CA ILE A 15 -7.576 -3.892 -14.853 1.00 0.00 C ATOM 229 C ILE A 15 -7.422 -2.367 -14.785 1.00 0.00 C ATOM 230 O ILE A 15 -6.952 -1.730 -15.729 1.00 0.00 O ATOM 231 CB ILE A 15 -9.082 -4.266 -14.766 1.00 0.00 C ATOM 232 CG1 ILE A 15 -9.277 -5.795 -14.795 1.00 0.00 C ATOM 233 CG2 ILE A 15 -9.849 -3.610 -15.909 1.00 0.00 C ATOM 234 CD1 ILE A 15 -10.728 -6.230 -14.726 1.00 0.00 C ATOM 0 H ILE A 15 -7.135 -4.230 -12.851 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.209 -4.294 -15.798 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.473 -3.897 -13.818 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.832 -6.191 -15.708 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.735 -6.237 -13.959 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.903 -3.877 -15.840 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.744 -2.527 -15.843 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.448 -3.956 -16.862 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.783 -7.318 -14.751 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.173 -5.865 -13.800 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.272 -5.819 -15.577 1.00 0.00 H new ATOM 246 N LYS A 16 -7.786 -1.794 -13.646 1.00 0.00 N ATOM 247 CA LYS A 16 -7.693 -0.359 -13.418 1.00 0.00 C ATOM 248 C LYS A 16 -7.203 -0.080 -12.011 1.00 0.00 C ATOM 249 O LYS A 16 -7.576 -0.777 -11.070 1.00 0.00 O ATOM 250 CB LYS A 16 -9.067 0.328 -13.509 1.00 0.00 C ATOM 251 CG LYS A 16 -9.772 0.356 -14.844 1.00 0.00 C ATOM 252 CD LYS A 16 -11.098 1.090 -14.671 1.00 0.00 C ATOM 253 CE LYS A 16 -11.870 1.261 -15.967 1.00 0.00 C ATOM 254 NZ LYS A 16 -11.145 2.078 -16.965 1.00 0.00 N ATOM 0 H LYS A 16 -8.156 -2.314 -12.850 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.014 0.021 -14.181 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.730 -0.160 -12.794 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.945 1.359 -13.177 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.155 0.858 -15.589 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.944 -0.658 -15.204 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.716 0.544 -13.959 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.907 2.072 -14.239 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.079 0.279 -16.392 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.832 1.727 -15.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.764 2.261 -17.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.863 2.982 -16.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.297 1.566 -17.282 1.00 0.00 H new ATOM 268 N ALA A 17 -6.382 0.912 -11.860 1.00 0.00 N ATOM 269 CA ALA A 17 -6.074 1.406 -10.553 1.00 0.00 C ATOM 270 C ALA A 17 -6.967 2.614 -10.348 1.00 0.00 C ATOM 271 O ALA A 17 -6.797 3.640 -11.023 1.00 0.00 O ATOM 272 CB ALA A 17 -4.609 1.777 -10.425 1.00 0.00 C ATOM 0 H ALA A 17 -5.913 1.396 -12.625 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.251 0.644 -9.794 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.414 2.148 -9.419 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.993 0.898 -10.613 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.365 2.553 -11.151 1.00 0.00 H new ATOM 278 N ILE A 18 -7.950 2.476 -9.491 1.00 0.00 N ATOM 279 CA ILE A 18 -8.932 3.526 -9.273 1.00 0.00 C ATOM 280 C ILE A 18 -8.283 4.649 -8.480 1.00 0.00 C ATOM 281 O ILE A 18 -8.463 5.837 -8.772 1.00 0.00 O ATOM 282 CB ILE A 18 -10.168 2.975 -8.493 1.00 0.00 C ATOM 283 CG1 ILE A 18 -10.778 1.741 -9.201 1.00 0.00 C ATOM 284 CG2 ILE A 18 -11.231 4.055 -8.281 1.00 0.00 C ATOM 285 CD1 ILE A 18 -11.259 1.992 -10.620 1.00 0.00 C ATOM 0 H ILE A 18 -8.097 1.640 -8.925 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.276 3.898 -10.238 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.811 2.662 -7.512 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.033 0.946 -9.221 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.617 1.377 -8.607 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -12.075 3.633 -7.735 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.804 4.879 -7.709 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -11.573 4.424 -9.248 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.670 1.071 -11.033 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -12.031 2.762 -10.612 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.422 2.324 -11.235 1.00 0.00 H new ATOM 297 N ASP A 19 -7.507 4.250 -7.512 1.00 0.00 N ATOM 298 CA ASP A 19 -6.798 5.133 -6.636 1.00 0.00 C ATOM 299 C ASP A 19 -5.674 4.289 -5.986 1.00 0.00 C ATOM 300 O ASP A 19 -5.331 3.235 -6.520 1.00 0.00 O ATOM 301 CB ASP A 19 -7.789 5.710 -5.589 1.00 0.00 C ATOM 302 CG ASP A 19 -7.171 6.753 -4.701 1.00 0.00 C ATOM 303 OD1 ASP A 19 -7.097 7.933 -5.085 1.00 0.00 O ATOM 304 OD2 ASP A 19 -6.693 6.392 -3.629 1.00 0.00 O ATOM 0 H ASP A 19 -7.347 3.264 -7.306 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.359 5.985 -7.156 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.644 6.144 -6.108 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.170 4.896 -4.972 1.00 0.00 H new ATOM 309 N GLY A 20 -5.101 4.751 -4.898 1.00 0.00 N ATOM 310 CA GLY A 20 -4.082 4.026 -4.194 1.00 0.00 C ATOM 311 C GLY A 20 -4.725 3.044 -3.248 1.00 0.00 C ATOM 312 O GLY A 20 -4.228 1.948 -3.031 1.00 0.00 O ATOM 0 H GLY A 20 -5.335 5.650 -4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.441 3.499 -4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.446 4.717 -3.641 1.00 0.00 H new ATOM 316 N ASP A 21 -5.862 3.467 -2.707 1.00 0.00 N ATOM 317 CA ASP A 21 -6.644 2.684 -1.738 1.00 0.00 C ATOM 318 C ASP A 21 -7.638 1.749 -2.436 1.00 0.00 C ATOM 319 O ASP A 21 -7.976 0.681 -1.933 1.00 0.00 O ATOM 320 CB ASP A 21 -7.405 3.651 -0.799 1.00 0.00 C ATOM 321 CG ASP A 21 -8.473 2.989 0.073 1.00 0.00 C ATOM 322 OD1 ASP A 21 -8.143 2.418 1.120 1.00 0.00 O ATOM 323 OD2 ASP A 21 -9.684 3.081 -0.280 1.00 0.00 O ATOM 0 H ASP A 21 -6.277 4.372 -2.927 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.955 2.065 -1.163 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.684 4.149 -0.151 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.878 4.425 -1.403 1.00 0.00 H new ATOM 328 N THR A 22 -8.091 2.149 -3.600 1.00 0.00 N ATOM 329 CA THR A 22 -9.102 1.403 -4.311 1.00 0.00 C ATOM 330 C THR A 22 -8.581 0.978 -5.699 1.00 0.00 C ATOM 331 O THR A 22 -8.060 1.800 -6.446 1.00 0.00 O ATOM 332 CB THR A 22 -10.358 2.292 -4.473 1.00 0.00 C ATOM 333 OG1 THR A 22 -10.695 2.883 -3.199 1.00 0.00 O ATOM 334 CG2 THR A 22 -11.544 1.476 -4.959 1.00 0.00 C ATOM 0 H THR A 22 -7.773 2.992 -4.078 1.00 0.00 H new ATOM 0 HA THR A 22 -9.351 0.504 -3.747 1.00 0.00 H new ATOM 0 HB THR A 22 -10.135 3.066 -5.208 1.00 0.00 H new ATOM 0 HG1 THR A 22 -11.489 3.448 -3.300 1.00 0.00 H new ATOM 0 HG21 THR A 22 -12.413 2.125 -5.064 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.307 1.028 -5.924 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.764 0.689 -4.238 1.00 0.00 H new ATOM 342 N VAL A 23 -8.724 -0.285 -6.044 1.00 0.00 N ATOM 343 CA VAL A 23 -8.266 -0.790 -7.333 1.00 0.00 C ATOM 344 C VAL A 23 -9.322 -1.692 -7.933 1.00 0.00 C ATOM 345 O VAL A 23 -10.210 -2.153 -7.233 1.00 0.00 O ATOM 346 CB VAL A 23 -6.912 -1.568 -7.242 1.00 0.00 C ATOM 347 CG1 VAL A 23 -5.772 -0.651 -6.824 1.00 0.00 C ATOM 348 CG2 VAL A 23 -7.019 -2.754 -6.288 1.00 0.00 C ATOM 0 H VAL A 23 -9.157 -0.990 -5.448 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.096 0.080 -7.968 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.691 -1.950 -8.239 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.846 -1.223 -6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.662 0.150 -7.555 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.990 -0.222 -5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.062 -3.275 -6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.282 -2.397 -5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.789 -3.438 -6.643 1.00 0.00 H new ATOM 358 N LYS A 24 -9.244 -1.927 -9.208 1.00 0.00 N ATOM 359 CA LYS A 24 -10.181 -2.788 -9.865 1.00 0.00 C ATOM 360 C LYS A 24 -9.392 -3.800 -10.652 1.00 0.00 C ATOM 361 O LYS A 24 -8.654 -3.446 -11.584 1.00 0.00 O ATOM 362 CB LYS A 24 -11.089 -1.988 -10.793 1.00 0.00 C ATOM 363 CG LYS A 24 -12.312 -2.750 -11.259 1.00 0.00 C ATOM 364 CD LYS A 24 -13.104 -1.953 -12.277 1.00 0.00 C ATOM 365 CE LYS A 24 -14.475 -2.560 -12.497 1.00 0.00 C ATOM 366 NZ LYS A 24 -15.319 -2.444 -11.287 1.00 0.00 N ATOM 0 H LYS A 24 -8.532 -1.529 -9.821 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.817 -3.283 -9.131 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.411 -1.082 -10.279 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.515 -1.673 -11.664 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.006 -3.700 -11.697 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.946 -2.983 -10.403 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.209 -0.923 -11.935 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.561 -1.922 -13.221 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.965 -2.061 -13.333 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.370 -3.610 -12.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.678 -3.384 -11.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.753 -2.058 -10.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.119 -1.809 -11.482 1.00 0.00 H new ATOM 380 N LEU A 25 -9.510 -5.022 -10.291 1.00 0.00 N ATOM 381 CA LEU A 25 -8.739 -6.035 -10.917 1.00 0.00 C ATOM 382 C LEU A 25 -9.600 -7.200 -11.353 1.00 0.00 C ATOM 383 O LEU A 25 -10.787 -7.272 -11.017 1.00 0.00 O ATOM 384 CB LEU A 25 -7.552 -6.453 -10.006 1.00 0.00 C ATOM 385 CG LEU A 25 -7.848 -6.792 -8.529 1.00 0.00 C ATOM 386 CD1 LEU A 25 -8.639 -8.080 -8.380 1.00 0.00 C ATOM 387 CD2 LEU A 25 -6.555 -6.856 -7.735 1.00 0.00 C ATOM 0 H LEU A 25 -10.139 -5.351 -9.558 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.307 -5.632 -11.833 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.076 -7.323 -10.458 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.820 -5.645 -10.022 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.471 -5.992 -8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.822 -8.275 -7.323 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.591 -7.984 -8.901 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.072 -8.907 -8.808 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.778 -7.096 -6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.908 -7.627 -8.154 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.050 -5.892 -7.785 1.00 0.00 H new ATOM 399 N MET A 26 -9.019 -8.073 -12.117 1.00 0.00 N ATOM 400 CA MET A 26 -9.680 -9.248 -12.571 1.00 0.00 C ATOM 401 C MET A 26 -9.467 -10.315 -11.538 1.00 0.00 C ATOM 402 O MET A 26 -8.364 -10.842 -11.396 1.00 0.00 O ATOM 403 CB MET A 26 -9.132 -9.696 -13.930 1.00 0.00 C ATOM 404 CG MET A 26 -9.859 -10.897 -14.520 1.00 0.00 C ATOM 405 SD MET A 26 -9.309 -11.310 -16.188 1.00 0.00 S ATOM 406 CE MET A 26 -9.779 -9.816 -17.075 1.00 0.00 C ATOM 0 H MET A 26 -8.057 -7.984 -12.445 1.00 0.00 H new ATOM 0 HA MET A 26 -10.744 -9.052 -12.704 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.198 -8.863 -14.630 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.075 -9.940 -13.823 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.709 -11.760 -13.871 1.00 0.00 H new ATOM 0 HG3 MET A 26 -10.930 -10.693 -14.537 1.00 0.00 H new ATOM 0 HE1 MET A 26 -9.911 -10.047 -18.132 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.714 -9.430 -16.668 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.997 -9.065 -16.962 1.00 0.00 H new ATOM 416 N TYR A 27 -10.485 -10.577 -10.793 1.00 0.00 N ATOM 417 CA TYR A 27 -10.439 -11.522 -9.732 1.00 0.00 C ATOM 418 C TYR A 27 -10.990 -12.848 -10.198 1.00 0.00 C ATOM 419 O TYR A 27 -12.180 -12.999 -10.339 1.00 0.00 O ATOM 420 CB TYR A 27 -11.246 -10.980 -8.543 1.00 0.00 C ATOM 421 CG TYR A 27 -11.443 -11.976 -7.444 1.00 0.00 C ATOM 422 CD1 TYR A 27 -10.370 -12.454 -6.733 1.00 0.00 C ATOM 423 CD2 TYR A 27 -12.707 -12.452 -7.134 1.00 0.00 C ATOM 424 CE1 TYR A 27 -10.541 -13.378 -5.743 1.00 0.00 C ATOM 425 CE2 TYR A 27 -12.889 -13.376 -6.140 1.00 0.00 C ATOM 426 CZ TYR A 27 -11.803 -13.840 -5.446 1.00 0.00 C ATOM 427 OH TYR A 27 -11.977 -14.777 -4.452 1.00 0.00 O ATOM 0 H TYR A 27 -11.394 -10.129 -10.908 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.407 -11.678 -9.418 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.738 -10.104 -8.140 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.221 -10.648 -8.899 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.377 -12.094 -6.960 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.562 -12.089 -7.685 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.687 -13.746 -5.193 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.880 -13.736 -5.905 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.500 -14.491 -3.645 1.00 0.00 H new ATOM 437 N LYS A 28 -10.109 -13.776 -10.510 1.00 0.00 N ATOM 438 CA LYS A 28 -10.490 -15.140 -10.892 1.00 0.00 C ATOM 439 C LYS A 28 -11.432 -15.159 -12.098 1.00 0.00 C ATOM 440 O LYS A 28 -12.302 -16.019 -12.218 1.00 0.00 O ATOM 441 CB LYS A 28 -11.090 -15.863 -9.681 1.00 0.00 C ATOM 442 CG LYS A 28 -10.096 -15.955 -8.532 1.00 0.00 C ATOM 443 CD LYS A 28 -10.653 -16.657 -7.315 1.00 0.00 C ATOM 444 CE LYS A 28 -10.989 -18.102 -7.589 1.00 0.00 C ATOM 445 NZ LYS A 28 -11.328 -18.812 -6.349 1.00 0.00 N ATOM 0 H LYS A 28 -9.102 -13.615 -10.509 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.594 -15.675 -11.207 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.984 -15.335 -9.348 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.402 -16.866 -9.973 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.206 -16.484 -8.872 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.782 -14.950 -8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.927 -16.603 -6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.549 -16.136 -6.977 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.827 -18.158 -8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.142 -18.590 -8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.488 -19.818 -6.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.545 -18.720 -5.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.191 -18.402 -5.939 1.00 0.00 H new ATOM 459 N GLY A 29 -11.203 -14.231 -13.010 1.00 0.00 N ATOM 460 CA GLY A 29 -12.005 -14.132 -14.214 1.00 0.00 C ATOM 461 C GLY A 29 -13.169 -13.161 -14.093 1.00 0.00 C ATOM 462 O GLY A 29 -13.785 -12.789 -15.103 1.00 0.00 O ATOM 0 H GLY A 29 -10.464 -13.532 -12.938 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.367 -13.820 -15.041 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.392 -15.120 -14.465 1.00 0.00 H new ATOM 466 N GLN A 30 -13.468 -12.727 -12.892 1.00 0.00 N ATOM 467 CA GLN A 30 -14.531 -11.765 -12.682 1.00 0.00 C ATOM 468 C GLN A 30 -13.955 -10.438 -12.169 1.00 0.00 C ATOM 469 O GLN A 30 -13.272 -10.403 -11.154 1.00 0.00 O ATOM 470 CB GLN A 30 -15.633 -12.319 -11.741 1.00 0.00 C ATOM 471 CG GLN A 30 -15.111 -12.928 -10.450 1.00 0.00 C ATOM 472 CD GLN A 30 -16.190 -13.332 -9.485 1.00 0.00 C ATOM 473 OE1 GLN A 30 -16.699 -14.457 -9.526 1.00 0.00 O ATOM 474 NE2 GLN A 30 -16.506 -12.454 -8.579 1.00 0.00 N ATOM 0 H GLN A 30 -12.990 -13.024 -12.041 1.00 0.00 H new ATOM 0 HA GLN A 30 -15.012 -11.576 -13.642 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.322 -11.511 -11.494 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -16.206 -13.074 -12.279 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -14.507 -13.803 -10.691 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -14.452 -12.210 -9.962 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -16.061 -11.536 -8.581 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -17.198 -12.683 -7.866 1.00 0.00 H new ATOM 483 N PRO A 31 -14.168 -9.339 -12.900 1.00 0.00 N ATOM 484 CA PRO A 31 -13.681 -8.024 -12.485 1.00 0.00 C ATOM 485 C PRO A 31 -14.355 -7.573 -11.195 1.00 0.00 C ATOM 486 O PRO A 31 -15.589 -7.638 -11.065 1.00 0.00 O ATOM 487 CB PRO A 31 -14.060 -7.101 -13.646 1.00 0.00 C ATOM 488 CG PRO A 31 -15.143 -7.815 -14.371 1.00 0.00 C ATOM 489 CD PRO A 31 -14.900 -9.279 -14.175 1.00 0.00 C ATOM 0 HA PRO A 31 -12.610 -8.024 -12.280 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.401 -6.131 -13.283 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.206 -6.915 -14.297 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -16.121 -7.530 -13.984 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -15.133 -7.560 -15.431 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -15.835 -9.838 -14.128 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -14.317 -9.702 -14.993 1.00 0.00 H new ATOM 497 N MET A 32 -13.562 -7.161 -10.243 1.00 0.00 N ATOM 498 CA MET A 32 -14.056 -6.758 -8.987 1.00 0.00 C ATOM 499 C MET A 32 -13.183 -5.644 -8.420 1.00 0.00 C ATOM 500 O MET A 32 -11.955 -5.645 -8.602 1.00 0.00 O ATOM 501 CB MET A 32 -14.087 -7.968 -8.057 1.00 0.00 C ATOM 502 CG MET A 32 -14.622 -7.666 -6.693 1.00 0.00 C ATOM 503 SD MET A 32 -14.825 -9.142 -5.672 1.00 0.00 S ATOM 504 CE MET A 32 -15.452 -8.412 -4.163 1.00 0.00 C ATOM 0 H MET A 32 -12.548 -7.101 -10.334 1.00 0.00 H new ATOM 0 HA MET A 32 -15.069 -6.368 -9.087 1.00 0.00 H new ATOM 0 HB2 MET A 32 -14.697 -8.749 -8.512 1.00 0.00 H new ATOM 0 HB3 MET A 32 -13.077 -8.367 -7.961 1.00 0.00 H new ATOM 0 HG2 MET A 32 -13.948 -6.973 -6.190 1.00 0.00 H new ATOM 0 HG3 MET A 32 -15.584 -7.162 -6.789 1.00 0.00 H new ATOM 0 HE1 MET A 32 -15.000 -8.908 -3.304 1.00 0.00 H new ATOM 0 HE2 MET A 32 -15.203 -7.351 -4.141 1.00 0.00 H new ATOM 0 HE3 MET A 32 -16.535 -8.532 -4.123 1.00 0.00 H new ATOM 514 N THR A 33 -13.813 -4.683 -7.809 1.00 0.00 N ATOM 515 CA THR A 33 -13.139 -3.589 -7.179 1.00 0.00 C ATOM 516 C THR A 33 -12.686 -4.012 -5.768 1.00 0.00 C ATOM 517 O THR A 33 -13.483 -4.498 -4.959 1.00 0.00 O ATOM 518 CB THR A 33 -14.101 -2.379 -7.099 1.00 0.00 C ATOM 519 OG1 THR A 33 -14.723 -2.183 -8.398 1.00 0.00 O ATOM 520 CG2 THR A 33 -13.339 -1.114 -6.743 1.00 0.00 C ATOM 0 H THR A 33 -14.829 -4.639 -7.734 1.00 0.00 H new ATOM 0 HA THR A 33 -12.260 -3.306 -7.759 1.00 0.00 H new ATOM 0 HB THR A 33 -14.850 -2.579 -6.333 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.335 -1.419 -8.356 1.00 0.00 H new ATOM 0 HG21 THR A 33 -14.032 -0.274 -6.691 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.852 -1.243 -5.776 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.586 -0.916 -7.505 1.00 0.00 H new ATOM 528 N PHE A 34 -11.423 -3.862 -5.507 1.00 0.00 N ATOM 529 CA PHE A 34 -10.824 -4.186 -4.235 1.00 0.00 C ATOM 530 C PHE A 34 -10.410 -2.924 -3.554 1.00 0.00 C ATOM 531 O PHE A 34 -10.128 -1.918 -4.222 1.00 0.00 O ATOM 532 CB PHE A 34 -9.625 -5.123 -4.397 1.00 0.00 C ATOM 533 CG PHE A 34 -9.996 -6.561 -4.581 1.00 0.00 C ATOM 534 CD1 PHE A 34 -10.672 -6.987 -5.705 1.00 0.00 C ATOM 535 CD2 PHE A 34 -9.677 -7.487 -3.609 1.00 0.00 C ATOM 536 CE1 PHE A 34 -11.018 -8.311 -5.856 1.00 0.00 C ATOM 537 CE2 PHE A 34 -10.022 -8.807 -3.756 1.00 0.00 C ATOM 538 CZ PHE A 34 -10.694 -9.222 -4.883 1.00 0.00 C ATOM 0 H PHE A 34 -10.756 -3.501 -6.189 1.00 0.00 H new ATOM 0 HA PHE A 34 -11.562 -4.709 -3.628 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.036 -4.798 -5.255 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.986 -5.033 -3.519 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.933 -6.275 -6.474 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.149 -7.169 -2.722 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -11.545 -8.633 -6.742 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.766 -9.521 -2.987 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.965 -10.261 -5.001 1.00 0.00 H new ATOM 548 N ARG A 35 -10.398 -2.941 -2.262 1.00 0.00 N ATOM 549 CA ARG A 35 -10.059 -1.774 -1.530 1.00 0.00 C ATOM 550 C ARG A 35 -9.347 -2.193 -0.257 1.00 0.00 C ATOM 551 O ARG A 35 -9.498 -3.334 0.191 1.00 0.00 O ATOM 552 CB ARG A 35 -11.328 -1.003 -1.212 1.00 0.00 C ATOM 553 CG ARG A 35 -11.095 0.460 -1.027 1.00 0.00 C ATOM 554 CD ARG A 35 -12.350 1.189 -0.629 1.00 0.00 C ATOM 555 NE ARG A 35 -12.805 0.780 0.692 1.00 0.00 N ATOM 556 CZ ARG A 35 -12.342 1.310 1.827 1.00 0.00 C ATOM 557 NH1 ARG A 35 -11.305 2.144 1.804 1.00 0.00 N ATOM 558 NH2 ARG A 35 -12.872 0.945 2.983 1.00 0.00 N ATOM 0 H ARG A 35 -10.621 -3.757 -1.692 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.399 -1.130 -2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.047 -1.151 -2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.776 -1.411 -0.306 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.331 0.611 -0.264 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.708 0.885 -1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.166 2.263 -0.636 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.133 0.995 -1.362 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.515 0.050 0.754 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.861 2.381 0.917 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.955 2.546 2.673 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.630 0.262 3.004 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.523 1.346 3.853 1.00 0.00 H new ATOM 572 N LEU A 36 -8.571 -1.315 0.307 1.00 0.00 N ATOM 573 CA LEU A 36 -7.853 -1.628 1.510 1.00 0.00 C ATOM 574 C LEU A 36 -8.497 -0.958 2.711 1.00 0.00 C ATOM 575 O LEU A 36 -9.355 -0.107 2.571 1.00 0.00 O ATOM 576 CB LEU A 36 -6.362 -1.217 1.424 1.00 0.00 C ATOM 577 CG LEU A 36 -5.446 -1.955 0.410 1.00 0.00 C ATOM 578 CD1 LEU A 36 -5.530 -3.456 0.578 1.00 0.00 C ATOM 579 CD2 LEU A 36 -5.709 -1.540 -1.033 1.00 0.00 C ATOM 0 H LEU A 36 -8.418 -0.371 -0.048 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.898 -2.710 1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.325 -0.153 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.926 -1.341 2.415 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.425 -1.649 0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.876 -3.940 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.217 -3.727 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.557 -3.783 0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.040 -2.088 -1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.743 -1.765 -1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.532 -0.470 -1.142 1.00 0.00 H new ATOM 591 N LEU A 37 -8.122 -1.399 3.895 1.00 0.00 N ATOM 592 CA LEU A 37 -8.579 -0.744 5.108 1.00 0.00 C ATOM 593 C LEU A 37 -7.442 -0.579 6.098 1.00 0.00 C ATOM 594 O LEU A 37 -7.500 0.274 6.969 1.00 0.00 O ATOM 595 CB LEU A 37 -9.829 -1.444 5.737 1.00 0.00 C ATOM 596 CG LEU A 37 -9.697 -2.879 6.308 1.00 0.00 C ATOM 597 CD1 LEU A 37 -9.001 -2.901 7.666 1.00 0.00 C ATOM 598 CD2 LEU A 37 -11.061 -3.514 6.418 1.00 0.00 C ATOM 0 H LEU A 37 -7.508 -2.200 4.045 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.915 0.255 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.190 -0.804 6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.608 -1.467 4.975 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.077 -3.449 5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.933 -3.928 8.023 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.999 -2.484 7.568 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.573 -2.306 8.378 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.962 -4.522 6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.687 -2.919 7.083 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.521 -3.561 5.431 1.00 0.00 H new ATOM 610 N LEU A 38 -6.392 -1.398 5.947 1.00 0.00 N ATOM 611 CA LEU A 38 -5.235 -1.338 6.844 1.00 0.00 C ATOM 612 C LEU A 38 -4.366 -0.140 6.535 1.00 0.00 C ATOM 613 O LEU A 38 -3.608 0.305 7.377 1.00 0.00 O ATOM 614 CB LEU A 38 -4.352 -2.615 6.782 1.00 0.00 C ATOM 615 CG LEU A 38 -4.891 -3.939 7.366 1.00 0.00 C ATOM 616 CD1 LEU A 38 -5.319 -3.788 8.813 1.00 0.00 C ATOM 617 CD2 LEU A 38 -5.988 -4.549 6.510 1.00 0.00 C ATOM 0 H LEU A 38 -6.322 -2.105 5.216 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.650 -1.255 7.849 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.110 -2.794 5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.415 -2.390 7.292 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.060 -4.644 7.350 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.691 -4.743 9.184 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.466 -3.473 9.414 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.108 -3.039 8.883 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.331 -5.478 6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.822 -3.851 6.436 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.599 -4.756 5.513 1.00 0.00 H new ATOM 629 N VAL A 39 -4.482 0.379 5.336 1.00 0.00 N ATOM 630 CA VAL A 39 -3.669 1.491 4.926 1.00 0.00 C ATOM 631 C VAL A 39 -4.540 2.718 4.726 1.00 0.00 C ATOM 632 O VAL A 39 -5.677 2.607 4.272 1.00 0.00 O ATOM 633 CB VAL A 39 -2.818 1.178 3.645 1.00 0.00 C ATOM 634 CG1 VAL A 39 -1.912 -0.014 3.881 1.00 0.00 C ATOM 635 CG2 VAL A 39 -3.679 0.932 2.415 1.00 0.00 C ATOM 0 H VAL A 39 -5.135 0.045 4.627 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.951 1.689 5.722 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.214 2.064 3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.331 -0.214 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.236 0.201 4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.516 -0.888 4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.038 0.720 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.336 0.081 2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.280 1.818 2.208 1.00 0.00 H new ATOM 645 N ASP A 40 -4.046 3.845 5.139 1.00 0.00 N ATOM 646 CA ASP A 40 -4.747 5.106 5.007 1.00 0.00 C ATOM 647 C ASP A 40 -3.941 5.981 4.079 1.00 0.00 C ATOM 648 O ASP A 40 -2.844 6.428 4.422 1.00 0.00 O ATOM 649 CB ASP A 40 -4.885 5.788 6.380 1.00 0.00 C ATOM 650 CG ASP A 40 -5.839 6.956 6.390 1.00 0.00 C ATOM 651 OD1 ASP A 40 -7.063 6.722 6.404 1.00 0.00 O ATOM 652 OD2 ASP A 40 -5.398 8.116 6.474 1.00 0.00 O ATOM 0 H ASP A 40 -3.132 3.926 5.585 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.749 4.941 4.610 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.222 5.051 7.109 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.903 6.131 6.704 1.00 0.00 H new ATOM 657 N THR A 41 -4.437 6.164 2.909 1.00 0.00 N ATOM 658 CA THR A 41 -3.782 6.929 1.892 1.00 0.00 C ATOM 659 C THR A 41 -4.362 8.358 1.840 1.00 0.00 C ATOM 660 O THR A 41 -5.362 8.652 2.517 1.00 0.00 O ATOM 661 CB THR A 41 -4.028 6.210 0.555 1.00 0.00 C ATOM 662 OG1 THR A 41 -5.403 5.838 0.498 1.00 0.00 O ATOM 663 CG2 THR A 41 -3.162 4.967 0.426 1.00 0.00 C ATOM 0 H THR A 41 -5.335 5.778 2.617 1.00 0.00 H new ATOM 0 HA THR A 41 -2.715 7.011 2.099 1.00 0.00 H new ATOM 0 HB THR A 41 -3.770 6.882 -0.264 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.786 6.132 -0.354 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.361 4.483 -0.530 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.110 5.249 0.478 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.393 4.277 1.237 1.00 0.00 H new ATOM 671 N PRO A 42 -3.756 9.285 1.056 1.00 0.00 N ATOM 672 CA PRO A 42 -4.306 10.649 0.845 1.00 0.00 C ATOM 673 C PRO A 42 -5.566 10.637 -0.064 1.00 0.00 C ATOM 674 O PRO A 42 -5.802 11.556 -0.841 1.00 0.00 O ATOM 675 CB PRO A 42 -3.150 11.381 0.141 1.00 0.00 C ATOM 676 CG PRO A 42 -2.378 10.306 -0.535 1.00 0.00 C ATOM 677 CD PRO A 42 -2.447 9.122 0.378 1.00 0.00 C ATOM 0 HA PRO A 42 -4.627 11.115 1.777 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.523 12.112 -0.577 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.531 11.923 0.856 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.804 10.073 -1.511 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.345 10.612 -0.702 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.395 8.184 -0.176 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.623 9.117 1.092 1.00 0.00 H new ATOM 910 N GLU A 57 0.557 10.400 -5.019 1.00 0.00 N ATOM 911 CA GLU A 57 0.957 9.399 -6.025 1.00 0.00 C ATOM 912 C GLU A 57 0.712 7.915 -5.647 1.00 0.00 C ATOM 913 O GLU A 57 1.227 7.033 -6.322 1.00 0.00 O ATOM 914 CB GLU A 57 2.447 9.600 -6.327 1.00 0.00 C ATOM 915 CG GLU A 57 2.813 11.027 -6.725 1.00 0.00 C ATOM 916 CD GLU A 57 2.103 11.488 -7.968 1.00 0.00 C ATOM 917 OE1 GLU A 57 0.938 11.916 -7.882 1.00 0.00 O ATOM 918 OE2 GLU A 57 2.699 11.422 -9.050 1.00 0.00 O ATOM 0 HA GLU A 57 0.315 9.573 -6.888 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.026 9.319 -5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.739 8.924 -7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.571 11.701 -5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.890 11.090 -6.883 1.00 0.00 H new ATOM 925 N ALA A 58 -0.100 7.643 -4.632 1.00 0.00 N ATOM 926 CA ALA A 58 -0.374 6.290 -4.193 1.00 0.00 C ATOM 927 C ALA A 58 -1.043 5.507 -5.314 1.00 0.00 C ATOM 928 O ALA A 58 -0.720 4.366 -5.543 1.00 0.00 O ATOM 929 CB ALA A 58 -1.242 6.300 -2.931 1.00 0.00 C ATOM 0 H ALA A 58 -0.585 8.360 -4.093 1.00 0.00 H new ATOM 0 HA ALA A 58 0.567 5.799 -3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.438 5.275 -2.616 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.720 6.831 -2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.187 6.801 -3.143 1.00 0.00 H new ATOM 935 N SER A 59 -1.918 6.179 -6.057 1.00 0.00 N ATOM 936 CA SER A 59 -2.639 5.560 -7.160 1.00 0.00 C ATOM 937 C SER A 59 -1.669 5.073 -8.241 1.00 0.00 C ATOM 938 O SER A 59 -1.772 3.938 -8.720 1.00 0.00 O ATOM 939 CB SER A 59 -3.653 6.560 -7.744 1.00 0.00 C ATOM 940 OG SER A 59 -4.437 5.983 -8.786 1.00 0.00 O ATOM 0 H SER A 59 -2.145 7.163 -5.911 1.00 0.00 H new ATOM 0 HA SER A 59 -3.178 4.691 -6.784 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.311 6.914 -6.950 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.122 7.430 -8.130 1.00 0.00 H new ATOM 0 HG SER A 59 -5.068 6.650 -9.128 1.00 0.00 H new ATOM 946 N ALA A 60 -0.719 5.920 -8.588 1.00 0.00 N ATOM 947 CA ALA A 60 0.251 5.603 -9.608 1.00 0.00 C ATOM 948 C ALA A 60 1.247 4.581 -9.100 1.00 0.00 C ATOM 949 O ALA A 60 1.691 3.728 -9.846 1.00 0.00 O ATOM 950 CB ALA A 60 0.961 6.864 -10.071 1.00 0.00 C ATOM 0 H ALA A 60 -0.601 6.843 -8.170 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.272 5.170 -10.460 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.690 6.609 -10.840 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.231 7.563 -10.479 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.472 7.325 -9.226 1.00 0.00 H new ATOM 956 N PHE A 61 1.559 4.661 -7.818 1.00 0.00 N ATOM 957 CA PHE A 61 2.499 3.757 -7.174 1.00 0.00 C ATOM 958 C PHE A 61 1.950 2.334 -7.197 1.00 0.00 C ATOM 959 O PHE A 61 2.640 1.402 -7.648 1.00 0.00 O ATOM 960 CB PHE A 61 2.727 4.216 -5.736 1.00 0.00 C ATOM 961 CG PHE A 61 3.858 3.545 -5.012 1.00 0.00 C ATOM 962 CD1 PHE A 61 3.665 2.365 -4.317 1.00 0.00 C ATOM 963 CD2 PHE A 61 5.111 4.122 -5.007 1.00 0.00 C ATOM 964 CE1 PHE A 61 4.703 1.774 -3.635 1.00 0.00 C ATOM 965 CE2 PHE A 61 6.154 3.538 -4.330 1.00 0.00 C ATOM 966 CZ PHE A 61 5.952 2.362 -3.640 1.00 0.00 C ATOM 0 H PHE A 61 1.165 5.360 -7.189 1.00 0.00 H new ATOM 0 HA PHE A 61 3.448 3.769 -7.710 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.910 5.291 -5.741 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.809 4.051 -5.171 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.689 1.903 -4.310 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.274 5.045 -5.543 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.541 0.852 -3.097 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.130 3.999 -4.338 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.769 1.902 -3.104 1.00 0.00 H new ATOM 976 N THR A 62 0.713 2.180 -6.723 1.00 0.00 N ATOM 977 CA THR A 62 0.030 0.905 -6.722 1.00 0.00 C ATOM 978 C THR A 62 -0.022 0.355 -8.148 1.00 0.00 C ATOM 979 O THR A 62 0.393 -0.782 -8.405 1.00 0.00 O ATOM 980 CB THR A 62 -1.416 1.078 -6.183 1.00 0.00 C ATOM 981 OG1 THR A 62 -1.380 1.672 -4.879 1.00 0.00 O ATOM 982 CG2 THR A 62 -2.148 -0.253 -6.111 1.00 0.00 C ATOM 0 H THR A 62 0.163 2.944 -6.330 1.00 0.00 H new ATOM 0 HA THR A 62 0.571 0.210 -6.079 1.00 0.00 H new ATOM 0 HB THR A 62 -1.954 1.726 -6.874 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.220 2.635 -4.963 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.157 -0.093 -5.730 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.202 -0.693 -7.107 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.611 -0.928 -5.445 1.00 0.00 H new ATOM 990 N LYS A 63 -0.463 1.207 -9.069 1.00 0.00 N ATOM 991 CA LYS A 63 -0.619 0.864 -10.468 1.00 0.00 C ATOM 992 C LYS A 63 0.703 0.390 -11.076 1.00 0.00 C ATOM 993 O LYS A 63 0.778 -0.698 -11.632 1.00 0.00 O ATOM 994 CB LYS A 63 -1.153 2.081 -11.229 1.00 0.00 C ATOM 995 CG LYS A 63 -1.387 1.855 -12.707 1.00 0.00 C ATOM 996 CD LYS A 63 -1.964 3.093 -13.363 1.00 0.00 C ATOM 997 CE LYS A 63 -2.094 2.928 -14.870 1.00 0.00 C ATOM 998 NZ LYS A 63 -0.775 2.821 -15.533 1.00 0.00 N ATOM 0 H LYS A 63 -0.725 2.169 -8.855 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.329 0.041 -10.549 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.091 2.395 -10.771 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.449 2.904 -11.109 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.447 1.588 -13.191 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.067 1.015 -12.846 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.943 3.307 -12.935 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.327 3.950 -13.145 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.682 2.036 -15.087 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.639 3.778 -15.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.902 2.477 -16.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.320 3.756 -15.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.175 2.155 -15.006 1.00 0.00 H new ATOM 1012 N LYS A 64 1.738 1.184 -10.897 1.00 0.00 N ATOM 1013 CA LYS A 64 3.050 0.919 -11.463 1.00 0.00 C ATOM 1014 C LYS A 64 3.580 -0.447 -11.050 1.00 0.00 C ATOM 1015 O LYS A 64 3.990 -1.252 -11.901 1.00 0.00 O ATOM 1016 CB LYS A 64 4.043 2.017 -11.045 1.00 0.00 C ATOM 1017 CG LYS A 64 5.411 1.946 -11.720 1.00 0.00 C ATOM 1018 CD LYS A 64 5.289 2.147 -13.221 1.00 0.00 C ATOM 1019 CE LYS A 64 6.642 2.146 -13.903 1.00 0.00 C ATOM 1020 NZ LYS A 64 6.519 2.353 -15.360 1.00 0.00 N ATOM 0 H LYS A 64 1.694 2.043 -10.348 1.00 0.00 H new ATOM 0 HA LYS A 64 2.944 0.920 -12.548 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.599 2.988 -11.262 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.185 1.965 -9.966 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.068 2.708 -11.300 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.872 0.980 -11.515 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.669 1.357 -13.644 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.782 3.091 -13.421 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.266 2.931 -13.475 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.146 1.199 -13.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.465 2.346 -15.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.944 1.590 -15.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.061 3.269 -15.543 1.00 0.00 H new ATOM 1034 N MET A 65 3.535 -0.733 -9.772 1.00 0.00 N ATOM 1035 CA MET A 65 4.093 -1.978 -9.282 1.00 0.00 C ATOM 1036 C MET A 65 3.272 -3.187 -9.703 1.00 0.00 C ATOM 1037 O MET A 65 3.829 -4.226 -10.043 1.00 0.00 O ATOM 1038 CB MET A 65 4.348 -1.955 -7.768 1.00 0.00 C ATOM 1039 CG MET A 65 3.118 -1.879 -6.878 1.00 0.00 C ATOM 1040 SD MET A 65 3.551 -1.766 -5.124 1.00 0.00 S ATOM 1041 CE MET A 65 4.489 -3.285 -4.883 1.00 0.00 C ATOM 0 H MET A 65 3.124 -0.132 -9.057 1.00 0.00 H new ATOM 0 HA MET A 65 5.068 -2.079 -9.759 1.00 0.00 H new ATOM 0 HB2 MET A 65 4.908 -2.852 -7.502 1.00 0.00 H new ATOM 0 HB3 MET A 65 4.987 -1.101 -7.542 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.520 -1.012 -7.160 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.498 -2.760 -7.042 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.621 -3.466 -3.816 1.00 0.00 H new ATOM 0 HE2 MET A 65 3.949 -4.121 -5.329 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.465 -3.189 -5.358 1.00 0.00 H new ATOM 1051 N VAL A 66 1.964 -3.039 -9.753 1.00 0.00 N ATOM 1052 CA VAL A 66 1.117 -4.167 -10.128 1.00 0.00 C ATOM 1053 C VAL A 66 1.133 -4.424 -11.650 1.00 0.00 C ATOM 1054 O VAL A 66 0.926 -5.547 -12.087 1.00 0.00 O ATOM 1055 CB VAL A 66 -0.346 -4.063 -9.602 1.00 0.00 C ATOM 1056 CG1 VAL A 66 -0.393 -4.018 -8.086 1.00 0.00 C ATOM 1057 CG2 VAL A 66 -1.069 -2.884 -10.192 1.00 0.00 C ATOM 0 H VAL A 66 1.467 -2.173 -9.545 1.00 0.00 H new ATOM 0 HA VAL A 66 1.562 -5.027 -9.628 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.862 -4.966 -9.927 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.429 -3.945 -7.756 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.054 -4.926 -7.681 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.163 -3.150 -7.730 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.085 -2.847 -9.800 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.544 -1.966 -9.927 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.102 -2.983 -11.277 1.00 0.00 H new ATOM 1067 N GLU A 67 1.394 -3.386 -12.450 1.00 0.00 N ATOM 1068 CA GLU A 67 1.497 -3.562 -13.903 1.00 0.00 C ATOM 1069 C GLU A 67 2.805 -4.237 -14.277 1.00 0.00 C ATOM 1070 O GLU A 67 2.929 -4.840 -15.338 1.00 0.00 O ATOM 1071 CB GLU A 67 1.397 -2.243 -14.651 1.00 0.00 C ATOM 1072 CG GLU A 67 0.077 -1.540 -14.510 1.00 0.00 C ATOM 1073 CD GLU A 67 0.025 -0.297 -15.339 1.00 0.00 C ATOM 1074 OE1 GLU A 67 0.706 0.688 -15.004 1.00 0.00 O ATOM 1075 OE2 GLU A 67 -0.710 -0.269 -16.337 1.00 0.00 O ATOM 0 H GLU A 67 1.536 -2.430 -12.124 1.00 0.00 H new ATOM 0 HA GLU A 67 0.657 -4.192 -14.195 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.186 -1.580 -14.297 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.585 -2.426 -15.709 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.728 -2.212 -14.809 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.092 -1.287 -13.463 1.00 0.00 H new ATOM 1082 N ASN A 68 3.796 -4.095 -13.426 1.00 0.00 N ATOM 1083 CA ASN A 68 5.089 -4.748 -13.647 1.00 0.00 C ATOM 1084 C ASN A 68 5.037 -6.171 -13.163 1.00 0.00 C ATOM 1085 O ASN A 68 5.813 -7.033 -13.602 1.00 0.00 O ATOM 1086 CB ASN A 68 6.238 -3.984 -12.964 1.00 0.00 C ATOM 1087 CG ASN A 68 6.704 -2.776 -13.763 1.00 0.00 C ATOM 1088 OD1 ASN A 68 7.634 -2.868 -14.558 1.00 0.00 O ATOM 1089 ND2 ASN A 68 6.085 -1.646 -13.567 1.00 0.00 N ATOM 0 H ASN A 68 3.743 -3.537 -12.574 1.00 0.00 H new ATOM 0 HA ASN A 68 5.289 -4.743 -14.719 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.913 -3.657 -11.976 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.079 -4.661 -12.815 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.371 -0.812 -14.080 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.315 -1.595 -12.900 1.00 0.00 H new ATOM 1096 N ALA A 69 4.104 -6.414 -12.287 1.00 0.00 N ATOM 1097 CA ALA A 69 3.895 -7.694 -11.710 1.00 0.00 C ATOM 1098 C ALA A 69 3.234 -8.616 -12.693 1.00 0.00 C ATOM 1099 O ALA A 69 2.355 -8.207 -13.456 1.00 0.00 O ATOM 1100 CB ALA A 69 3.039 -7.564 -10.482 1.00 0.00 C ATOM 0 H ALA A 69 3.455 -5.702 -11.951 1.00 0.00 H new ATOM 0 HA ALA A 69 4.863 -8.114 -11.436 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.881 -8.549 -10.043 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.537 -6.919 -9.758 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.077 -7.130 -10.753 1.00 0.00 H new ATOM 1106 N LYS A 70 3.668 -9.837 -12.703 1.00 0.00 N ATOM 1107 CA LYS A 70 3.080 -10.813 -13.541 1.00 0.00 C ATOM 1108 C LYS A 70 2.013 -11.541 -12.776 1.00 0.00 C ATOM 1109 O LYS A 70 0.911 -11.741 -13.272 1.00 0.00 O ATOM 1110 CB LYS A 70 4.138 -11.758 -14.093 1.00 0.00 C ATOM 1111 CG LYS A 70 5.131 -11.083 -15.036 1.00 0.00 C ATOM 1112 CD LYS A 70 4.425 -10.481 -16.255 1.00 0.00 C ATOM 1113 CE LYS A 70 5.386 -9.719 -17.150 1.00 0.00 C ATOM 1114 NZ LYS A 70 6.035 -8.603 -16.432 1.00 0.00 N ATOM 0 H LYS A 70 4.439 -10.177 -12.128 1.00 0.00 H new ATOM 0 HA LYS A 70 2.615 -10.330 -14.400 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.685 -12.203 -13.262 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.644 -12.573 -14.622 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.668 -10.300 -14.501 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.873 -11.810 -15.366 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.949 -11.277 -16.828 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.632 -9.811 -15.921 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.148 -10.400 -17.528 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.848 -9.331 -18.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.464 -7.951 -17.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.325 -8.094 -15.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.774 -8.978 -15.803 1.00 0.00 H new ATOM 1128 N LYS A 71 2.307 -11.910 -11.561 1.00 0.00 N ATOM 1129 CA LYS A 71 1.303 -12.557 -10.765 1.00 0.00 C ATOM 1130 C LYS A 71 0.783 -11.659 -9.671 1.00 0.00 C ATOM 1131 O LYS A 71 1.491 -11.311 -8.738 1.00 0.00 O ATOM 1132 CB LYS A 71 1.756 -13.902 -10.197 1.00 0.00 C ATOM 1133 CG LYS A 71 2.969 -13.867 -9.268 1.00 0.00 C ATOM 1134 CD LYS A 71 3.255 -15.243 -8.679 1.00 0.00 C ATOM 1135 CE LYS A 71 2.076 -15.725 -7.851 1.00 0.00 C ATOM 1136 NZ LYS A 71 2.295 -17.040 -7.226 1.00 0.00 N ATOM 0 H LYS A 71 3.211 -11.778 -11.108 1.00 0.00 H new ATOM 0 HA LYS A 71 0.481 -12.767 -11.450 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.921 -14.343 -9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.981 -14.568 -11.030 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.842 -13.516 -9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.793 -13.154 -8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.458 -15.953 -9.481 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.150 -15.200 -8.058 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.866 -14.992 -7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.192 -15.777 -8.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.671 -17.140 -6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.082 -17.791 -7.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.287 -17.119 -6.923 1.00 0.00 H new ATOM 1150 N ILE A 72 -0.427 -11.254 -9.799 1.00 0.00 N ATOM 1151 CA ILE A 72 -1.045 -10.496 -8.770 1.00 0.00 C ATOM 1152 C ILE A 72 -1.878 -11.439 -7.952 1.00 0.00 C ATOM 1153 O ILE A 72 -2.642 -12.235 -8.504 1.00 0.00 O ATOM 1154 CB ILE A 72 -1.903 -9.346 -9.340 1.00 0.00 C ATOM 1155 CG1 ILE A 72 -1.007 -8.436 -10.181 1.00 0.00 C ATOM 1156 CG2 ILE A 72 -2.583 -8.560 -8.212 1.00 0.00 C ATOM 1157 CD1 ILE A 72 -1.697 -7.221 -10.737 1.00 0.00 C ATOM 0 H ILE A 72 -1.015 -11.436 -10.612 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.282 -10.025 -8.150 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.694 -9.757 -9.968 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.165 -8.112 -9.570 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.597 -9.015 -11.008 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.182 -7.755 -8.639 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.228 -9.228 -7.640 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.824 -8.138 -7.554 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.987 -6.634 -11.319 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.522 -7.532 -11.378 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.083 -6.615 -9.917 1.00 0.00 H new ATOM 1169 N GLU A 73 -1.679 -11.423 -6.677 1.00 0.00 N ATOM 1170 CA GLU A 73 -2.420 -12.277 -5.802 1.00 0.00 C ATOM 1171 C GLU A 73 -3.152 -11.424 -4.808 1.00 0.00 C ATOM 1172 O GLU A 73 -2.621 -10.408 -4.346 1.00 0.00 O ATOM 1173 CB GLU A 73 -1.495 -13.215 -5.034 1.00 0.00 C ATOM 1174 CG GLU A 73 -0.554 -14.045 -5.884 1.00 0.00 C ATOM 1175 CD GLU A 73 0.266 -15.003 -5.051 1.00 0.00 C ATOM 1176 OE1 GLU A 73 0.913 -14.573 -4.085 1.00 0.00 O ATOM 1177 OE2 GLU A 73 0.249 -16.227 -5.338 1.00 0.00 O ATOM 0 H GLU A 73 -1.001 -10.821 -6.210 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.109 -12.872 -6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.901 -12.622 -4.339 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.107 -13.890 -4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.130 -14.606 -6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.113 -13.384 -6.438 1.00 0.00 H new ATOM 1184 N VAL A 74 -4.346 -11.801 -4.497 1.00 0.00 N ATOM 1185 CA VAL A 74 -5.099 -11.119 -3.490 1.00 0.00 C ATOM 1186 C VAL A 74 -5.253 -12.054 -2.285 1.00 0.00 C ATOM 1187 O VAL A 74 -5.786 -13.159 -2.403 1.00 0.00 O ATOM 1188 CB VAL A 74 -6.486 -10.592 -4.021 1.00 0.00 C ATOM 1189 CG1 VAL A 74 -6.290 -9.604 -5.151 1.00 0.00 C ATOM 1190 CG2 VAL A 74 -7.389 -11.710 -4.492 1.00 0.00 C ATOM 0 H VAL A 74 -4.830 -12.588 -4.930 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.558 -10.223 -3.186 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.969 -10.099 -3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.261 -9.254 -5.501 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.705 -8.756 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.762 -10.090 -5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.331 -11.292 -4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.904 -12.252 -5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.584 -12.393 -3.665 1.00 0.00 H new ATOM 1200 N GLU A 75 -4.715 -11.663 -1.165 1.00 0.00 N ATOM 1201 CA GLU A 75 -4.768 -12.502 0.012 1.00 0.00 C ATOM 1202 C GLU A 75 -5.844 -12.010 0.957 1.00 0.00 C ATOM 1203 O GLU A 75 -5.729 -10.940 1.543 1.00 0.00 O ATOM 1204 CB GLU A 75 -3.397 -12.560 0.701 1.00 0.00 C ATOM 1205 CG GLU A 75 -3.331 -13.500 1.895 1.00 0.00 C ATOM 1206 CD GLU A 75 -1.946 -13.597 2.518 1.00 0.00 C ATOM 1207 OE1 GLU A 75 -1.481 -12.628 3.159 1.00 0.00 O ATOM 1208 OE2 GLU A 75 -1.294 -14.650 2.382 1.00 0.00 O ATOM 0 H GLU A 75 -4.235 -10.773 -1.036 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.024 -13.517 -0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.650 -12.868 -0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.127 -11.556 1.029 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.038 -13.162 2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.650 -14.494 1.582 1.00 0.00 H new ATOM 1215 N PHE A 76 -6.893 -12.775 1.078 1.00 0.00 N ATOM 1216 CA PHE A 76 -8.001 -12.416 1.939 1.00 0.00 C ATOM 1217 C PHE A 76 -7.686 -12.754 3.375 1.00 0.00 C ATOM 1218 O PHE A 76 -7.048 -13.812 3.655 1.00 0.00 O ATOM 1219 CB PHE A 76 -9.295 -13.110 1.505 1.00 0.00 C ATOM 1220 CG PHE A 76 -9.786 -12.682 0.157 1.00 0.00 C ATOM 1221 CD1 PHE A 76 -10.465 -11.487 0.006 1.00 0.00 C ATOM 1222 CD2 PHE A 76 -9.573 -13.466 -0.957 1.00 0.00 C ATOM 1223 CE1 PHE A 76 -10.925 -11.080 -1.227 1.00 0.00 C ATOM 1224 CE2 PHE A 76 -10.033 -13.064 -2.192 1.00 0.00 C ATOM 1225 CZ PHE A 76 -10.707 -11.873 -2.326 1.00 0.00 C ATOM 0 H PHE A 76 -7.010 -13.662 0.588 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.151 -11.340 1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.134 -14.188 1.497 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.070 -12.909 2.245 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.638 -10.862 0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.042 -14.402 -0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.453 -10.144 -1.328 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.864 -13.687 -3.058 1.00 0.00 H new ATOM 0 HZ PHE A 76 -11.065 -11.561 -3.296 1.00 0.00 H new ATOM 1235 N ASP A 77 -8.133 -11.868 4.285 1.00 0.00 N ATOM 1236 CA ASP A 77 -7.902 -12.026 5.716 1.00 0.00 C ATOM 1237 C ASP A 77 -8.916 -13.045 6.274 1.00 0.00 C ATOM 1238 O ASP A 77 -9.704 -13.607 5.518 1.00 0.00 O ATOM 1239 CB ASP A 77 -8.009 -10.667 6.468 1.00 0.00 C ATOM 1240 CG ASP A 77 -7.271 -10.659 7.828 1.00 0.00 C ATOM 1241 OD1 ASP A 77 -7.754 -11.265 8.808 1.00 0.00 O ATOM 1242 OD2 ASP A 77 -6.179 -10.041 7.943 1.00 0.00 O ATOM 0 H ASP A 77 -8.661 -11.030 4.041 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.888 -12.393 5.873 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.601 -9.878 5.837 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.061 -10.433 6.632 1.00 0.00 H new ATOM 1247 N LYS A 78 -8.936 -13.238 7.570 1.00 0.00 N ATOM 1248 CA LYS A 78 -9.738 -14.278 8.211 1.00 0.00 C ATOM 1249 C LYS A 78 -11.159 -13.775 8.489 1.00 0.00 C ATOM 1250 O LYS A 78 -12.045 -14.547 8.885 1.00 0.00 O ATOM 1251 CB LYS A 78 -9.075 -14.664 9.542 1.00 0.00 C ATOM 1252 CG LYS A 78 -9.318 -13.649 10.663 1.00 0.00 C ATOM 1253 CD LYS A 78 -8.465 -13.909 11.879 1.00 0.00 C ATOM 1254 CE LYS A 78 -7.024 -13.511 11.625 1.00 0.00 C ATOM 1255 NZ LYS A 78 -6.906 -12.062 11.320 1.00 0.00 N ATOM 0 H LYS A 78 -8.393 -12.676 8.226 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.796 -15.139 7.546 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.450 -15.638 9.857 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.002 -14.771 9.386 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.114 -12.646 10.289 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.369 -13.675 10.950 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.856 -13.350 12.729 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.513 -14.965 12.143 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.420 -13.750 12.500 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.626 -14.093 10.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.557 -11.939 10.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.838 -11.611 11.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.240 -11.620 11.986 1.00 0.00 H new ATOM 1269 N GLY A 79 -11.358 -12.489 8.310 1.00 0.00 N ATOM 1270 CA GLY A 79 -12.630 -11.896 8.602 1.00 0.00 C ATOM 1271 C GLY A 79 -13.489 -11.757 7.384 1.00 0.00 C ATOM 1272 O GLY A 79 -13.661 -12.724 6.615 1.00 0.00 O ATOM 0 H GLY A 79 -10.652 -11.839 7.964 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.150 -12.504 9.342 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.476 -10.914 9.048 1.00 0.00 H new ATOM 1276 N GLN A 80 -14.001 -10.569 7.177 1.00 0.00 N ATOM 1277 CA GLN A 80 -14.860 -10.307 6.078 1.00 0.00 C ATOM 1278 C GLN A 80 -14.053 -10.231 4.800 1.00 0.00 C ATOM 1279 O GLN A 80 -12.966 -9.641 4.765 1.00 0.00 O ATOM 1280 CB GLN A 80 -15.679 -9.039 6.302 1.00 0.00 C ATOM 1281 CG GLN A 80 -14.876 -7.774 6.549 1.00 0.00 C ATOM 1282 CD GLN A 80 -15.755 -6.543 6.615 1.00 0.00 C ATOM 1283 OE1 GLN A 80 -15.241 -5.432 6.166 1.00 0.00 O flip ATOM 1284 NE2 GLN A 80 -16.902 -6.599 7.041 1.00 0.00 N flip ATOM 0 H GLN A 80 -13.825 -9.762 7.775 1.00 0.00 H new ATOM 0 HA GLN A 80 -15.570 -11.129 5.988 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -16.315 -8.880 5.431 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -16.340 -9.201 7.154 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.322 -7.874 7.483 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -14.141 -7.651 5.754 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -17.275 -7.483 7.386 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -17.484 -5.761 7.051 1.00 0.00 H new ATOM 1293 N ARG A 81 -14.569 -10.833 3.775 1.00 0.00 N ATOM 1294 CA ARG A 81 -13.880 -10.926 2.509 1.00 0.00 C ATOM 1295 C ARG A 81 -14.129 -9.664 1.669 1.00 0.00 C ATOM 1296 O ARG A 81 -13.392 -9.356 0.720 1.00 0.00 O ATOM 1297 CB ARG A 81 -14.349 -12.201 1.786 1.00 0.00 C ATOM 1298 CG ARG A 81 -13.676 -12.478 0.473 1.00 0.00 C ATOM 1299 CD ARG A 81 -14.058 -13.841 -0.058 1.00 0.00 C ATOM 1300 NE ARG A 81 -15.493 -13.958 -0.342 1.00 0.00 N ATOM 1301 CZ ARG A 81 -16.058 -14.974 -0.998 1.00 0.00 C ATOM 1302 NH1 ARG A 81 -15.327 -16.003 -1.408 1.00 0.00 N ATOM 1303 NH2 ARG A 81 -17.357 -14.966 -1.213 1.00 0.00 N ATOM 0 H ARG A 81 -15.486 -11.280 3.784 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.804 -10.991 2.669 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.187 -13.053 2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.423 -12.129 1.617 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -13.954 -11.712 -0.250 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -12.594 -12.422 0.596 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -13.494 -14.042 -0.969 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -13.773 -14.602 0.668 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.103 -13.209 -0.014 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -14.324 -16.022 -1.223 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -15.768 -16.775 -1.909 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -17.924 -14.187 -0.879 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -17.796 -15.739 -1.714 1.00 0.00 H new ATOM 1317 N THR A 82 -15.132 -8.919 2.043 1.00 0.00 N ATOM 1318 CA THR A 82 -15.481 -7.738 1.341 1.00 0.00 C ATOM 1319 C THR A 82 -15.458 -6.543 2.261 1.00 0.00 C ATOM 1320 O THR A 82 -15.634 -6.673 3.472 1.00 0.00 O ATOM 1321 CB THR A 82 -16.866 -7.860 0.634 1.00 0.00 C ATOM 1322 OG1 THR A 82 -17.854 -8.353 1.561 1.00 0.00 O ATOM 1323 CG2 THR A 82 -16.769 -8.798 -0.567 1.00 0.00 C ATOM 0 H THR A 82 -15.726 -9.123 2.847 1.00 0.00 H new ATOM 0 HA THR A 82 -14.732 -7.596 0.562 1.00 0.00 H new ATOM 0 HB THR A 82 -17.166 -6.872 0.285 1.00 0.00 H new ATOM 0 HG1 THR A 82 -18.720 -8.425 1.108 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.743 -8.873 -1.050 1.00 0.00 H new ATOM 0 HG22 THR A 82 -16.041 -8.406 -1.277 1.00 0.00 H new ATOM 0 HG23 THR A 82 -16.453 -9.786 -0.232 1.00 0.00 H new ATOM 1331 N ASP A 83 -15.200 -5.411 1.680 1.00 0.00 N ATOM 1332 CA ASP A 83 -15.209 -4.129 2.321 1.00 0.00 C ATOM 1333 C ASP A 83 -16.603 -3.842 2.775 1.00 0.00 C ATOM 1334 O ASP A 83 -17.559 -4.371 2.203 1.00 0.00 O ATOM 1335 CB ASP A 83 -14.720 -3.067 1.314 1.00 0.00 C ATOM 1336 CG ASP A 83 -14.905 -1.632 1.753 1.00 0.00 C ATOM 1337 OD1 ASP A 83 -14.492 -1.262 2.864 1.00 0.00 O ATOM 1338 OD2 ASP A 83 -15.448 -0.843 0.961 1.00 0.00 O ATOM 0 H ASP A 83 -14.964 -5.353 0.689 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.546 -4.114 3.186 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -13.661 -3.236 1.117 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -15.247 -3.213 0.371 1.00 0.00 H new ATOM 1343 N LYS A 84 -16.733 -2.990 3.756 1.00 0.00 N ATOM 1344 CA LYS A 84 -18.011 -2.698 4.368 1.00 0.00 C ATOM 1345 C LYS A 84 -18.988 -2.125 3.328 1.00 0.00 C ATOM 1346 O LYS A 84 -20.198 -2.283 3.446 1.00 0.00 O ATOM 1347 CB LYS A 84 -17.797 -1.726 5.535 1.00 0.00 C ATOM 1348 CG LYS A 84 -18.984 -1.595 6.467 1.00 0.00 C ATOM 1349 CD LYS A 84 -18.640 -0.740 7.675 1.00 0.00 C ATOM 1350 CE LYS A 84 -19.747 -0.796 8.705 1.00 0.00 C ATOM 1351 NZ LYS A 84 -19.419 -0.042 9.927 1.00 0.00 N ATOM 0 H LYS A 84 -15.952 -2.473 4.159 1.00 0.00 H new ATOM 0 HA LYS A 84 -18.453 -3.616 4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -16.932 -2.055 6.112 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -17.556 -0.742 5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -19.824 -1.152 5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -19.302 -2.584 6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.707 -1.087 8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -18.480 0.292 7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -20.664 -0.397 8.271 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -19.944 -1.836 8.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -20.209 -0.112 10.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -18.560 -0.438 10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.257 0.957 9.686 1.00 0.00 H new ATOM 1365 N TYR A 85 -18.441 -1.525 2.280 1.00 0.00 N ATOM 1366 CA TYR A 85 -19.241 -0.936 1.237 1.00 0.00 C ATOM 1367 C TYR A 85 -19.276 -1.804 -0.046 1.00 0.00 C ATOM 1368 O TYR A 85 -19.703 -1.336 -1.103 1.00 0.00 O ATOM 1369 CB TYR A 85 -18.764 0.493 0.958 1.00 0.00 C ATOM 1370 CG TYR A 85 -18.822 1.371 2.198 1.00 0.00 C ATOM 1371 CD1 TYR A 85 -20.010 1.970 2.591 1.00 0.00 C ATOM 1372 CD2 TYR A 85 -17.694 1.571 2.993 1.00 0.00 C ATOM 1373 CE1 TYR A 85 -20.082 2.742 3.731 1.00 0.00 C ATOM 1374 CE2 TYR A 85 -17.757 2.349 4.135 1.00 0.00 C ATOM 1375 CZ TYR A 85 -18.955 2.928 4.499 1.00 0.00 C ATOM 1376 OH TYR A 85 -19.031 3.692 5.648 1.00 0.00 O ATOM 0 H TYR A 85 -17.435 -1.438 2.137 1.00 0.00 H new ATOM 0 HA TYR A 85 -20.272 -0.891 1.587 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -17.741 0.466 0.582 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -19.380 0.933 0.174 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -20.897 1.829 1.991 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -16.757 1.112 2.713 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -21.017 3.198 4.020 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -16.874 2.502 4.738 1.00 0.00 H new ATOM 0 HH TYR A 85 -18.151 3.726 6.077 1.00 0.00 H new ATOM 1386 N GLY A 86 -18.817 -3.057 0.047 1.00 0.00 N ATOM 1387 CA GLY A 86 -18.987 -4.009 -1.061 1.00 0.00 C ATOM 1388 C GLY A 86 -17.761 -4.305 -1.917 1.00 0.00 C ATOM 1389 O GLY A 86 -17.819 -5.178 -2.790 1.00 0.00 O ATOM 0 H GLY A 86 -18.333 -3.433 0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -19.345 -4.951 -0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -19.773 -3.630 -1.715 1.00 0.00 H new ATOM 1393 N ARG A 87 -16.675 -3.590 -1.723 1.00 0.00 N ATOM 1394 CA ARG A 87 -15.430 -3.901 -2.448 1.00 0.00 C ATOM 1395 C ARG A 87 -14.797 -5.162 -1.854 1.00 0.00 C ATOM 1396 O ARG A 87 -15.298 -5.682 -0.899 1.00 0.00 O ATOM 1397 CB ARG A 87 -14.427 -2.726 -2.399 1.00 0.00 C ATOM 1398 CG ARG A 87 -14.761 -1.539 -3.306 1.00 0.00 C ATOM 1399 CD ARG A 87 -16.020 -0.785 -2.897 1.00 0.00 C ATOM 1400 NE ARG A 87 -15.876 -0.095 -1.609 1.00 0.00 N ATOM 1401 CZ ARG A 87 -16.044 1.219 -1.431 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -16.392 2.003 -2.457 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -15.883 1.736 -0.218 1.00 0.00 N ATOM 0 H ARG A 87 -16.612 -2.798 -1.083 1.00 0.00 H new ATOM 0 HA ARG A 87 -15.680 -4.070 -3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -14.362 -2.369 -1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.440 -3.102 -2.669 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.919 -0.847 -3.307 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.880 -1.898 -4.328 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -16.269 -0.056 -3.669 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -16.854 -1.484 -2.838 1.00 0.00 H new ATOM 0 HE ARG A 87 -15.631 -0.657 -0.794 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.531 1.599 -3.383 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -16.518 3.005 -2.313 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -15.634 1.132 0.565 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -16.008 2.737 -0.070 1.00 0.00 H new ATOM 1417 N GLY A 88 -13.741 -5.660 -2.421 1.00 0.00 N ATOM 1418 CA GLY A 88 -13.088 -6.812 -1.827 1.00 0.00 C ATOM 1419 C GLY A 88 -11.955 -6.380 -0.925 1.00 0.00 C ATOM 1420 O GLY A 88 -11.337 -5.345 -1.178 1.00 0.00 O ATOM 0 H GLY A 88 -13.312 -5.305 -3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -13.813 -7.392 -1.256 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.705 -7.464 -2.612 1.00 0.00 H new ATOM 1424 N LEU A 89 -11.693 -7.137 0.123 1.00 0.00 N ATOM 1425 CA LEU A 89 -10.625 -6.811 1.062 1.00 0.00 C ATOM 1426 C LEU A 89 -9.560 -7.854 1.009 1.00 0.00 C ATOM 1427 O LEU A 89 -9.751 -8.964 1.507 1.00 0.00 O ATOM 1428 CB LEU A 89 -11.131 -6.746 2.494 1.00 0.00 C ATOM 1429 CG LEU A 89 -12.131 -5.674 2.829 1.00 0.00 C ATOM 1430 CD1 LEU A 89 -12.532 -5.801 4.266 1.00 0.00 C ATOM 1431 CD2 LEU A 89 -11.564 -4.301 2.568 1.00 0.00 C ATOM 0 H LEU A 89 -12.206 -7.989 0.351 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.236 -5.835 0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.577 -7.710 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.270 -6.619 3.150 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.006 -5.801 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.257 -5.025 4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.979 -6.781 4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.653 -5.690 4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.309 -3.546 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.675 -4.152 3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.297 -4.212 1.515 1.00 0.00 H new ATOM 1443 N ALA A 90 -8.455 -7.523 0.434 1.00 0.00 N ATOM 1444 CA ALA A 90 -7.388 -8.456 0.330 1.00 0.00 C ATOM 1445 C ALA A 90 -6.074 -7.743 0.367 1.00 0.00 C ATOM 1446 O ALA A 90 -5.988 -6.569 0.028 1.00 0.00 O ATOM 1447 CB ALA A 90 -7.510 -9.252 -0.953 1.00 0.00 C ATOM 0 H ALA A 90 -8.267 -6.607 0.026 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.441 -9.142 1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.686 -9.963 -1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.457 -9.792 -0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.475 -8.575 -1.806 1.00 0.00 H new ATOM 1453 N TYR A 91 -5.079 -8.431 0.818 1.00 0.00 N ATOM 1454 CA TYR A 91 -3.739 -7.941 0.803 1.00 0.00 C ATOM 1455 C TYR A 91 -3.213 -8.260 -0.561 1.00 0.00 C ATOM 1456 O TYR A 91 -3.182 -9.420 -0.958 1.00 0.00 O ATOM 1457 CB TYR A 91 -2.898 -8.636 1.874 1.00 0.00 C ATOM 1458 CG TYR A 91 -3.397 -8.426 3.287 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -4.376 -9.249 3.822 1.00 0.00 C ATOM 1460 CD2 TYR A 91 -2.888 -7.415 4.087 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -4.832 -9.075 5.104 1.00 0.00 C ATOM 1462 CE2 TYR A 91 -3.346 -7.233 5.377 1.00 0.00 C ATOM 1463 CZ TYR A 91 -4.320 -8.066 5.877 1.00 0.00 C ATOM 1464 OH TYR A 91 -4.756 -7.910 7.167 1.00 0.00 O ATOM 0 H TYR A 91 -5.175 -9.366 1.214 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.699 -6.873 1.015 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.874 -9.705 1.664 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -1.872 -8.275 1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.788 -10.043 3.217 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.123 -6.761 3.696 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -5.592 -9.731 5.503 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.942 -6.441 5.990 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.510 -8.514 7.333 1.00 0.00 H new ATOM 1474 N ILE A 92 -2.854 -7.265 -1.291 1.00 0.00 N ATOM 1475 CA ILE A 92 -2.492 -7.468 -2.655 1.00 0.00 C ATOM 1476 C ILE A 92 -1.002 -7.627 -2.826 1.00 0.00 C ATOM 1477 O ILE A 92 -0.207 -6.819 -2.341 1.00 0.00 O ATOM 1478 CB ILE A 92 -3.083 -6.358 -3.554 1.00 0.00 C ATOM 1479 CG1 ILE A 92 -4.616 -6.422 -3.432 1.00 0.00 C ATOM 1480 CG2 ILE A 92 -2.644 -6.529 -5.013 1.00 0.00 C ATOM 1481 CD1 ILE A 92 -5.364 -5.367 -4.193 1.00 0.00 C ATOM 0 H ILE A 92 -2.802 -6.298 -0.969 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.931 -8.411 -2.982 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.717 -5.384 -3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.951 -7.401 -3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.884 -6.345 -2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.077 -5.733 -5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.557 -6.481 -5.074 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.986 -7.495 -5.385 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.435 -5.500 -4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.066 -4.381 -3.836 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -5.135 -5.453 -5.255 1.00 0.00 H new ATOM 1493 N TYR A 93 -0.640 -8.700 -3.459 1.00 0.00 N ATOM 1494 CA TYR A 93 0.719 -9.024 -3.737 1.00 0.00 C ATOM 1495 C TYR A 93 0.970 -8.848 -5.207 1.00 0.00 C ATOM 1496 O TYR A 93 0.295 -9.457 -6.035 1.00 0.00 O ATOM 1497 CB TYR A 93 1.040 -10.473 -3.322 1.00 0.00 C ATOM 1498 CG TYR A 93 0.958 -10.733 -1.830 1.00 0.00 C ATOM 1499 CD1 TYR A 93 -0.264 -10.803 -1.181 1.00 0.00 C ATOM 1500 CD2 TYR A 93 2.104 -10.910 -1.074 1.00 0.00 C ATOM 1501 CE1 TYR A 93 -0.341 -11.032 0.170 1.00 0.00 C ATOM 1502 CE2 TYR A 93 2.029 -11.146 0.284 1.00 0.00 C ATOM 1503 CZ TYR A 93 0.800 -11.202 0.899 1.00 0.00 C ATOM 1504 OH TYR A 93 0.715 -11.434 2.258 1.00 0.00 O ATOM 0 H TYR A 93 -1.304 -9.393 -3.805 1.00 0.00 H new ATOM 0 HA TYR A 93 1.365 -8.359 -3.163 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.351 -11.145 -3.833 1.00 0.00 H new ATOM 0 HB3 TYR A 93 2.043 -10.722 -3.667 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.174 -10.675 -1.749 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.071 -10.863 -1.553 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.304 -11.078 0.656 1.00 0.00 H new ATOM 0 HE2 TYR A 93 2.931 -11.286 0.861 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.142 -11.862 2.464 1.00 0.00 H new ATOM 1514 N ALA A 94 1.922 -8.034 -5.526 1.00 0.00 N ATOM 1515 CA ALA A 94 2.295 -7.802 -6.871 1.00 0.00 C ATOM 1516 C ALA A 94 3.559 -8.567 -7.115 1.00 0.00 C ATOM 1517 O ALA A 94 4.611 -8.229 -6.584 1.00 0.00 O ATOM 1518 CB ALA A 94 2.532 -6.318 -7.091 1.00 0.00 C ATOM 0 H ALA A 94 2.467 -7.506 -4.844 1.00 0.00 H new ATOM 0 HA ALA A 94 1.510 -8.124 -7.556 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.819 -6.145 -8.128 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.618 -5.767 -6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.330 -5.975 -6.432 1.00 0.00 H new ATOM 1524 N ASP A 95 3.415 -9.647 -7.852 1.00 0.00 N ATOM 1525 CA ASP A 95 4.491 -10.574 -8.226 1.00 0.00 C ATOM 1526 C ASP A 95 5.160 -11.120 -6.970 1.00 0.00 C ATOM 1527 O ASP A 95 6.345 -11.441 -6.949 1.00 0.00 O ATOM 1528 CB ASP A 95 5.496 -9.910 -9.173 1.00 0.00 C ATOM 1529 CG ASP A 95 6.119 -10.909 -10.127 1.00 0.00 C ATOM 1530 OD1 ASP A 95 5.381 -11.436 -11.004 1.00 0.00 O ATOM 1531 OD2 ASP A 95 7.345 -11.179 -10.036 1.00 0.00 O ATOM 0 H ASP A 95 2.509 -9.926 -8.230 1.00 0.00 H new ATOM 0 HA ASP A 95 4.061 -11.413 -8.773 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.995 -9.127 -9.743 1.00 0.00 H new ATOM 0 HB3 ASP A 95 6.280 -9.427 -8.590 1.00 0.00 H new ATOM 1536 N GLY A 96 4.347 -11.270 -5.934 1.00 0.00 N ATOM 1537 CA GLY A 96 4.806 -11.776 -4.659 1.00 0.00 C ATOM 1538 C GLY A 96 5.145 -10.685 -3.645 1.00 0.00 C ATOM 1539 O GLY A 96 5.300 -10.970 -2.463 1.00 0.00 O ATOM 0 H GLY A 96 3.353 -11.043 -5.959 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.037 -12.423 -4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.689 -12.394 -4.821 1.00 0.00 H new ATOM 1543 N LYS A 97 5.237 -9.446 -4.079 1.00 0.00 N ATOM 1544 CA LYS A 97 5.555 -8.355 -3.162 1.00 0.00 C ATOM 1545 C LYS A 97 4.273 -7.732 -2.669 1.00 0.00 C ATOM 1546 O LYS A 97 3.433 -7.341 -3.465 1.00 0.00 O ATOM 1547 CB LYS A 97 6.436 -7.261 -3.812 1.00 0.00 C ATOM 1548 CG LYS A 97 7.806 -7.712 -4.324 1.00 0.00 C ATOM 1549 CD LYS A 97 7.717 -8.500 -5.624 1.00 0.00 C ATOM 1550 CE LYS A 97 9.084 -8.910 -6.130 1.00 0.00 C ATOM 1551 NZ LYS A 97 9.959 -7.747 -6.389 1.00 0.00 N ATOM 0 H LYS A 97 5.099 -9.163 -5.049 1.00 0.00 H new ATOM 0 HA LYS A 97 6.125 -8.782 -2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.884 -6.828 -4.646 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.588 -6.465 -3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.438 -6.837 -4.477 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.289 -8.326 -3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.106 -9.389 -5.469 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.216 -7.897 -6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.559 -9.563 -5.398 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.971 -9.488 -7.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.782 -8.049 -6.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.429 -7.024 -6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.283 -7.348 -5.485 1.00 0.00 H new ATOM 1565 N MET A 98 4.107 -7.640 -1.371 1.00 0.00 N ATOM 1566 CA MET A 98 2.884 -7.077 -0.827 1.00 0.00 C ATOM 1567 C MET A 98 2.832 -5.556 -1.020 1.00 0.00 C ATOM 1568 O MET A 98 3.600 -4.802 -0.416 1.00 0.00 O ATOM 1569 CB MET A 98 2.628 -7.511 0.636 1.00 0.00 C ATOM 1570 CG MET A 98 3.722 -7.158 1.627 1.00 0.00 C ATOM 1571 SD MET A 98 3.337 -7.677 3.321 1.00 0.00 S ATOM 1572 CE MET A 98 3.400 -9.461 3.170 1.00 0.00 C ATOM 0 H MET A 98 4.790 -7.942 -0.676 1.00 0.00 H new ATOM 0 HA MET A 98 2.056 -7.493 -1.400 1.00 0.00 H new ATOM 0 HB2 MET A 98 1.697 -7.056 0.973 1.00 0.00 H new ATOM 0 HB3 MET A 98 2.480 -8.591 0.655 1.00 0.00 H new ATOM 0 HG2 MET A 98 4.655 -7.626 1.312 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.885 -6.080 1.611 1.00 0.00 H new ATOM 0 HE1 MET A 98 2.402 -9.874 3.315 1.00 0.00 H new ATOM 0 HE2 MET A 98 3.763 -9.730 2.178 1.00 0.00 H new ATOM 0 HE3 MET A 98 4.074 -9.866 3.925 1.00 0.00 H new ATOM 1582 N VAL A 99 1.909 -5.137 -1.874 1.00 0.00 N ATOM 1583 CA VAL A 99 1.721 -3.741 -2.281 1.00 0.00 C ATOM 1584 C VAL A 99 1.448 -2.866 -1.078 1.00 0.00 C ATOM 1585 O VAL A 99 1.991 -1.769 -0.959 1.00 0.00 O ATOM 1586 CB VAL A 99 0.533 -3.622 -3.283 1.00 0.00 C ATOM 1587 CG1 VAL A 99 0.300 -2.184 -3.719 1.00 0.00 C ATOM 1588 CG2 VAL A 99 0.762 -4.505 -4.496 1.00 0.00 C ATOM 0 H VAL A 99 1.248 -5.774 -2.319 1.00 0.00 H new ATOM 0 HA VAL A 99 2.638 -3.406 -2.765 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.362 -3.961 -2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.537 -2.146 -4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.073 -1.572 -2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.197 -1.802 -4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.079 -4.406 -5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.679 -4.200 -5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.851 -5.544 -4.178 1.00 0.00 H new ATOM 1598 N ASN A 100 0.625 -3.391 -0.181 1.00 0.00 N ATOM 1599 CA ASN A 100 0.226 -2.714 1.058 1.00 0.00 C ATOM 1600 C ASN A 100 1.445 -2.191 1.807 1.00 0.00 C ATOM 1601 O ASN A 100 1.471 -1.045 2.239 1.00 0.00 O ATOM 1602 CB ASN A 100 -0.531 -3.684 2.003 1.00 0.00 C ATOM 1603 CG ASN A 100 -1.792 -4.320 1.422 1.00 0.00 C ATOM 1604 OD1 ASN A 100 -1.890 -4.602 0.232 1.00 0.00 O ATOM 1605 ND2 ASN A 100 -2.762 -4.562 2.265 1.00 0.00 N ATOM 0 H ASN A 100 0.206 -4.314 -0.290 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.424 -1.887 0.773 1.00 0.00 H new ATOM 0 HB2 ASN A 100 0.152 -4.480 2.301 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -0.803 -3.142 2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -3.626 -4.995 1.938 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -2.655 -4.318 3.249 1.00 0.00 H new ATOM 1612 N GLU A 101 2.466 -3.032 1.910 1.00 0.00 N ATOM 1613 CA GLU A 101 3.653 -2.724 2.670 1.00 0.00 C ATOM 1614 C GLU A 101 4.467 -1.659 1.961 1.00 0.00 C ATOM 1615 O GLU A 101 4.915 -0.705 2.578 1.00 0.00 O ATOM 1616 CB GLU A 101 4.445 -4.010 2.883 1.00 0.00 C ATOM 1617 CG GLU A 101 5.561 -3.932 3.901 1.00 0.00 C ATOM 1618 CD GLU A 101 6.884 -3.457 3.376 1.00 0.00 C ATOM 1619 OE1 GLU A 101 7.396 -4.037 2.393 1.00 0.00 O ATOM 1620 OE2 GLU A 101 7.458 -2.526 3.959 1.00 0.00 O ATOM 0 H GLU A 101 2.486 -3.949 1.464 1.00 0.00 H new ATOM 0 HA GLU A 101 3.386 -2.319 3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.753 -4.795 3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 101 4.871 -4.315 1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.249 -3.266 4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.698 -4.920 4.340 1.00 0.00 H new ATOM 1627 N ALA A 102 4.594 -1.806 0.655 1.00 0.00 N ATOM 1628 CA ALA A 102 5.337 -0.864 -0.177 1.00 0.00 C ATOM 1629 C ALA A 102 4.734 0.542 -0.096 1.00 0.00 C ATOM 1630 O ALA A 102 5.470 1.533 0.031 1.00 0.00 O ATOM 1631 CB ALA A 102 5.389 -1.353 -1.616 1.00 0.00 C ATOM 0 H ALA A 102 4.185 -2.583 0.135 1.00 0.00 H new ATOM 0 HA ALA A 102 6.357 -0.806 0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.946 -0.639 -2.223 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.883 -2.324 -1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.375 -1.446 -2.005 1.00 0.00 H new ATOM 1637 N LEU A 103 3.392 0.620 -0.132 1.00 0.00 N ATOM 1638 CA LEU A 103 2.671 1.885 0.005 1.00 0.00 C ATOM 1639 C LEU A 103 3.070 2.575 1.295 1.00 0.00 C ATOM 1640 O LEU A 103 3.437 3.756 1.306 1.00 0.00 O ATOM 1641 CB LEU A 103 1.155 1.633 0.065 1.00 0.00 C ATOM 1642 CG LEU A 103 0.509 0.946 -1.130 1.00 0.00 C ATOM 1643 CD1 LEU A 103 -0.961 0.712 -0.865 1.00 0.00 C ATOM 1644 CD2 LEU A 103 0.684 1.780 -2.365 1.00 0.00 C ATOM 0 H LEU A 103 2.785 -0.190 -0.256 1.00 0.00 H new ATOM 0 HA LEU A 103 2.919 2.506 -0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.949 1.032 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.660 2.593 0.209 1.00 0.00 H new ATOM 0 HG LEU A 103 0.996 -0.017 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.412 0.220 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.076 0.079 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.456 1.668 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.218 1.278 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.215 2.753 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.747 1.916 -2.564 1.00 0.00 H new ATOM 1656 N VAL A 104 3.022 1.825 2.365 1.00 0.00 N ATOM 1657 CA VAL A 104 3.293 2.344 3.677 1.00 0.00 C ATOM 1658 C VAL A 104 4.784 2.666 3.866 1.00 0.00 C ATOM 1659 O VAL A 104 5.131 3.761 4.284 1.00 0.00 O ATOM 1660 CB VAL A 104 2.794 1.373 4.776 1.00 0.00 C ATOM 1661 CG1 VAL A 104 3.004 1.956 6.141 1.00 0.00 C ATOM 1662 CG2 VAL A 104 1.331 1.061 4.588 1.00 0.00 C ATOM 0 H VAL A 104 2.792 0.831 2.349 1.00 0.00 H new ATOM 0 HA VAL A 104 2.741 3.279 3.774 1.00 0.00 H new ATOM 0 HB VAL A 104 3.372 0.453 4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.646 1.255 6.895 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.066 2.145 6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.453 2.893 6.225 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.001 0.378 5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.752 1.983 4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.180 0.597 3.613 1.00 0.00 H new ATOM 1672 N ARG A 105 5.650 1.735 3.492 1.00 0.00 N ATOM 1673 CA ARG A 105 7.096 1.888 3.674 1.00 0.00 C ATOM 1674 C ARG A 105 7.675 3.046 2.877 1.00 0.00 C ATOM 1675 O ARG A 105 8.605 3.707 3.336 1.00 0.00 O ATOM 1676 CB ARG A 105 7.836 0.554 3.395 1.00 0.00 C ATOM 1677 CG ARG A 105 9.369 0.610 3.434 1.00 0.00 C ATOM 1678 CD ARG A 105 9.955 0.938 2.066 1.00 0.00 C ATOM 1679 NE ARG A 105 11.415 1.058 2.082 1.00 0.00 N ATOM 1680 CZ ARG A 105 12.174 1.196 0.981 1.00 0.00 C ATOM 1681 NH1 ARG A 105 11.625 1.052 -0.229 1.00 0.00 N ATOM 1682 NH2 ARG A 105 13.483 1.422 1.090 1.00 0.00 N ATOM 0 H ARG A 105 5.377 0.854 3.055 1.00 0.00 H new ATOM 0 HA ARG A 105 7.259 2.144 4.721 1.00 0.00 H new ATOM 0 HB2 ARG A 105 7.501 -0.183 4.125 1.00 0.00 H new ATOM 0 HB3 ARG A 105 7.531 0.192 2.413 1.00 0.00 H new ATOM 0 HG2 ARG A 105 9.688 1.362 4.156 1.00 0.00 H new ATOM 0 HG3 ARG A 105 9.760 -0.348 3.777 1.00 0.00 H new ATOM 0 HD2 ARG A 105 9.668 0.161 1.358 1.00 0.00 H new ATOM 0 HD3 ARG A 105 9.523 1.872 1.706 1.00 0.00 H new ATOM 0 HE ARG A 105 11.886 1.035 2.987 1.00 0.00 H new ATOM 0 HH11 ARG A 105 10.632 0.838 -0.316 1.00 0.00 H new ATOM 0 HH12 ARG A 105 12.199 1.156 -1.065 1.00 0.00 H new ATOM 0 HH21 ARG A 105 13.914 1.491 2.012 1.00 0.00 H new ATOM 0 HH22 ARG A 105 14.054 1.526 0.251 1.00 0.00 H new ATOM 1696 N GLN A 106 7.138 3.294 1.693 1.00 0.00 N ATOM 1697 CA GLN A 106 7.640 4.381 0.866 1.00 0.00 C ATOM 1698 C GLN A 106 6.958 5.712 1.255 1.00 0.00 C ATOM 1699 O GLN A 106 7.247 6.783 0.705 1.00 0.00 O ATOM 1700 CB GLN A 106 7.469 4.050 -0.623 1.00 0.00 C ATOM 1701 CG GLN A 106 8.146 5.034 -1.573 1.00 0.00 C ATOM 1702 CD GLN A 106 9.647 5.130 -1.352 1.00 0.00 C ATOM 1703 OE1 GLN A 106 10.427 4.383 -1.952 1.00 0.00 O ATOM 1704 NE2 GLN A 106 10.062 6.054 -0.520 1.00 0.00 N ATOM 0 H GLN A 106 6.365 2.766 1.287 1.00 0.00 H new ATOM 0 HA GLN A 106 8.708 4.502 1.045 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.868 3.053 -0.808 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.404 4.015 -0.854 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.954 4.729 -2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.701 6.021 -1.444 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.387 6.652 -0.043 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.060 6.175 -0.349 1.00 0.00 H new ATOM 1713 N GLY A 107 6.083 5.625 2.219 1.00 0.00 N ATOM 1714 CA GLY A 107 5.447 6.778 2.777 1.00 0.00 C ATOM 1715 C GLY A 107 4.351 7.356 1.937 1.00 0.00 C ATOM 1716 O GLY A 107 4.216 8.570 1.875 1.00 0.00 O ATOM 0 H GLY A 107 5.792 4.743 2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.038 6.514 3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.201 7.547 2.945 1.00 0.00 H new ATOM 1720 N LEU A 108 3.585 6.517 1.266 1.00 0.00 N ATOM 1721 CA LEU A 108 2.430 7.004 0.514 1.00 0.00 C ATOM 1722 C LEU A 108 1.155 6.635 1.239 1.00 0.00 C ATOM 1723 O LEU A 108 0.078 7.144 0.930 1.00 0.00 O ATOM 1724 CB LEU A 108 2.362 6.491 -0.949 1.00 0.00 C ATOM 1725 CG LEU A 108 3.496 6.894 -1.902 1.00 0.00 C ATOM 1726 CD1 LEU A 108 4.728 6.083 -1.672 1.00 0.00 C ATOM 1727 CD2 LEU A 108 3.061 6.787 -3.333 1.00 0.00 C ATOM 0 H LEU A 108 3.733 5.509 1.222 1.00 0.00 H new ATOM 0 HA LEU A 108 2.545 8.086 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.319 5.402 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.423 6.836 -1.381 1.00 0.00 H new ATOM 0 HG LEU A 108 3.738 7.935 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.507 6.399 -2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 108 5.074 6.228 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 108 4.505 5.028 -1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 108 3.884 7.078 -3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.772 5.758 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.210 7.446 -3.505 1.00 0.00 H new ATOM 1739 N ALA A 109 1.278 5.749 2.201 1.00 0.00 N ATOM 1740 CA ALA A 109 0.153 5.315 2.981 1.00 0.00 C ATOM 1741 C ALA A 109 0.538 5.208 4.448 1.00 0.00 C ATOM 1742 O ALA A 109 1.694 4.929 4.773 1.00 0.00 O ATOM 1743 CB ALA A 109 -0.351 3.975 2.484 1.00 0.00 C ATOM 0 H ALA A 109 2.162 5.312 2.461 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.643 6.052 2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -1.204 3.661 3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -0.656 4.065 1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.444 3.234 2.566 1.00 0.00 H new ATOM 1749 N LYS A 110 -0.408 5.478 5.308 1.00 0.00 N ATOM 1750 CA LYS A 110 -0.251 5.356 6.757 1.00 0.00 C ATOM 1751 C LYS A 110 -0.946 4.084 7.174 1.00 0.00 C ATOM 1752 O LYS A 110 -1.727 3.546 6.394 1.00 0.00 O ATOM 1753 CB LYS A 110 -0.957 6.518 7.479 1.00 0.00 C ATOM 1754 CG LYS A 110 -0.567 7.904 7.017 1.00 0.00 C ATOM 1755 CD LYS A 110 -1.250 8.974 7.846 1.00 0.00 C ATOM 1756 CE LYS A 110 -0.829 10.368 7.410 1.00 0.00 C ATOM 1757 NZ LYS A 110 -1.422 11.418 8.263 1.00 0.00 N ATOM 0 H LYS A 110 -1.335 5.797 5.027 1.00 0.00 H new ATOM 0 HA LYS A 110 0.809 5.361 7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.033 6.401 7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.751 6.438 8.546 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.514 8.022 7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.834 8.028 5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.331 8.873 7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.006 8.831 8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.258 10.445 7.443 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.129 10.530 6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.109 12.353 7.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.459 11.362 8.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.116 11.280 9.247 1.00 0.00 H new ATOM 1771 N VAL A 111 -0.660 3.560 8.341 1.00 0.00 N ATOM 1772 CA VAL A 111 -1.461 2.466 8.812 1.00 0.00 C ATOM 1773 C VAL A 111 -2.771 3.093 9.329 1.00 0.00 C ATOM 1774 O VAL A 111 -2.761 4.182 9.956 1.00 0.00 O ATOM 1775 CB VAL A 111 -0.752 1.559 9.890 1.00 0.00 C ATOM 1776 CG1 VAL A 111 -0.533 2.265 11.208 1.00 0.00 C ATOM 1777 CG2 VAL A 111 -1.499 0.246 10.092 1.00 0.00 C ATOM 0 H VAL A 111 0.093 3.861 8.960 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.647 1.766 7.998 1.00 0.00 H new ATOM 0 HB VAL A 111 0.237 1.334 9.490 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.042 1.588 11.906 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.095 3.142 11.051 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.494 2.575 11.619 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.983 -0.355 10.841 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.515 0.453 10.429 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.534 -0.301 9.150 1.00 0.00 H new ATOM 1787 N ALA A 112 -3.864 2.459 9.062 1.00 0.00 N ATOM 1788 CA ALA A 112 -5.150 3.051 9.308 1.00 0.00 C ATOM 1789 C ALA A 112 -5.862 2.404 10.457 1.00 0.00 C ATOM 1790 O ALA A 112 -5.304 1.542 11.140 1.00 0.00 O ATOM 1791 CB ALA A 112 -6.004 2.925 8.067 1.00 0.00 C ATOM 0 H ALA A 112 -3.898 1.519 8.668 1.00 0.00 H new ATOM 0 HA ALA A 112 -4.986 4.098 9.563 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -6.981 3.373 8.250 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -5.519 3.439 7.238 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.129 1.871 7.817 1.00 0.00 H new ATOM 1797 N TYR A 113 -7.086 2.851 10.683 1.00 0.00 N ATOM 1798 CA TYR A 113 -7.935 2.310 11.701 1.00 0.00 C ATOM 1799 C TYR A 113 -8.313 0.902 11.340 1.00 0.00 C ATOM 1800 O TYR A 113 -8.993 0.659 10.328 1.00 0.00 O ATOM 1801 CB TYR A 113 -9.172 3.183 11.904 1.00 0.00 C ATOM 1802 CG TYR A 113 -8.855 4.529 12.505 1.00 0.00 C ATOM 1803 CD1 TYR A 113 -8.533 5.623 11.711 1.00 0.00 C ATOM 1804 CD2 TYR A 113 -8.864 4.698 13.876 1.00 0.00 C ATOM 1805 CE1 TYR A 113 -8.232 6.846 12.277 1.00 0.00 C ATOM 1806 CE2 TYR A 113 -8.566 5.910 14.447 1.00 0.00 C ATOM 1807 CZ TYR A 113 -8.250 6.982 13.648 1.00 0.00 C ATOM 1808 OH TYR A 113 -7.951 8.203 14.227 1.00 0.00 O ATOM 0 H TYR A 113 -7.512 3.610 10.151 1.00 0.00 H new ATOM 0 HA TYR A 113 -7.394 2.296 12.647 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -9.668 3.328 10.944 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -9.876 2.660 12.551 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -8.518 5.515 10.636 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -9.110 3.860 14.511 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -7.984 7.690 11.650 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -8.580 6.021 15.521 1.00 0.00 H new ATOM 0 HH TYR A 113 -8.011 8.126 15.202 1.00 0.00 H new ATOM 1818 N VAL A 114 -7.839 0.000 12.132 1.00 0.00 N ATOM 1819 CA VAL A 114 -8.008 -1.400 11.918 1.00 0.00 C ATOM 1820 C VAL A 114 -9.448 -1.813 12.101 1.00 0.00 C ATOM 1821 O VAL A 114 -10.085 -1.487 13.107 1.00 0.00 O ATOM 1822 CB VAL A 114 -7.102 -2.196 12.869 1.00 0.00 C ATOM 1823 CG1 VAL A 114 -7.256 -3.690 12.666 1.00 0.00 C ATOM 1824 CG2 VAL A 114 -5.668 -1.781 12.662 1.00 0.00 C ATOM 0 H VAL A 114 -7.306 0.223 12.973 1.00 0.00 H new ATOM 0 HA VAL A 114 -7.724 -1.619 10.889 1.00 0.00 H new ATOM 0 HB VAL A 114 -7.401 -1.975 13.894 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -6.600 -4.220 13.356 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -8.290 -3.978 12.855 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -6.989 -3.947 11.641 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -5.025 -2.346 13.337 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -5.377 -1.981 11.631 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -5.564 -0.716 12.868 1.00 0.00 H new ATOM 1834 N TYR A 115 -9.948 -2.521 11.142 1.00 0.00 N ATOM 1835 CA TYR A 115 -11.280 -3.012 11.181 1.00 0.00 C ATOM 1836 C TYR A 115 -11.198 -4.520 11.295 1.00 0.00 C ATOM 1837 O TYR A 115 -10.999 -5.224 10.304 1.00 0.00 O ATOM 1838 CB TYR A 115 -12.026 -2.578 9.915 1.00 0.00 C ATOM 1839 CG TYR A 115 -13.514 -2.856 9.892 1.00 0.00 C ATOM 1840 CD1 TYR A 115 -14.401 -1.998 10.521 1.00 0.00 C ATOM 1841 CD2 TYR A 115 -14.032 -3.949 9.215 1.00 0.00 C ATOM 1842 CE1 TYR A 115 -15.760 -2.224 10.480 1.00 0.00 C ATOM 1843 CE2 TYR A 115 -15.394 -4.173 9.167 1.00 0.00 C ATOM 1844 CZ TYR A 115 -16.252 -3.309 9.800 1.00 0.00 C ATOM 1845 OH TYR A 115 -17.617 -3.524 9.745 1.00 0.00 O ATOM 0 H TYR A 115 -9.433 -2.776 10.299 1.00 0.00 H new ATOM 0 HA TYR A 115 -11.832 -2.611 12.031 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -11.875 -1.507 9.777 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -11.570 -3.077 9.060 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -14.021 -1.138 11.052 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -13.362 -4.635 8.718 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -16.436 -1.548 10.982 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -15.783 -5.027 8.632 1.00 0.00 H new ATOM 0 HH TYR A 115 -17.800 -4.334 9.224 1.00 0.00 H new ATOM 1855 N LYS A 116 -11.248 -4.996 12.519 1.00 0.00 N ATOM 1856 CA LYS A 116 -11.166 -6.412 12.815 1.00 0.00 C ATOM 1857 C LYS A 116 -12.344 -7.170 12.203 1.00 0.00 C ATOM 1858 O LYS A 116 -13.386 -6.570 11.927 1.00 0.00 O ATOM 1859 CB LYS A 116 -11.080 -6.629 14.331 1.00 0.00 C ATOM 1860 CG LYS A 116 -9.735 -6.236 14.910 1.00 0.00 C ATOM 1861 CD LYS A 116 -9.707 -6.364 16.427 1.00 0.00 C ATOM 1862 CE LYS A 116 -8.317 -6.082 16.994 1.00 0.00 C ATOM 1863 NZ LYS A 116 -7.872 -4.686 16.779 1.00 0.00 N ATOM 0 H LYS A 116 -11.348 -4.407 13.346 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.258 -6.812 12.363 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -11.863 -6.050 14.820 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.273 -7.678 14.554 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -8.957 -6.866 14.479 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -9.506 -5.208 14.629 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -10.425 -5.670 16.864 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -10.019 -7.368 16.713 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -8.317 -6.296 18.063 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -7.599 -6.761 16.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -6.946 -4.544 17.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -7.793 -4.500 15.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -8.564 -4.033 17.197 1.00 0.00 H new ATOM 1877 N PRO A 117 -12.209 -8.489 11.958 1.00 0.00 N ATOM 1878 CA PRO A 117 -10.997 -9.293 12.248 1.00 0.00 C ATOM 1879 C PRO A 117 -9.892 -9.183 11.180 1.00 0.00 C ATOM 1880 O PRO A 117 -8.919 -9.943 11.212 1.00 0.00 O ATOM 1881 CB PRO A 117 -11.532 -10.739 12.288 1.00 0.00 C ATOM 1882 CG PRO A 117 -13.014 -10.632 12.094 1.00 0.00 C ATOM 1883 CD PRO A 117 -13.257 -9.325 11.404 1.00 0.00 C ATOM 0 HA PRO A 117 -10.521 -8.948 13.166 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -11.078 -11.346 11.504 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -11.296 -11.217 13.239 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.388 -11.463 11.496 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -13.535 -10.669 13.051 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -13.177 -9.415 10.321 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -14.250 -8.929 11.618 1.00 0.00 H new ATOM 1891 N ASN A 118 -10.024 -8.248 10.272 1.00 0.00 N ATOM 1892 CA ASN A 118 -9.051 -8.089 9.196 1.00 0.00 C ATOM 1893 C ASN A 118 -7.860 -7.270 9.677 1.00 0.00 C ATOM 1894 O ASN A 118 -7.901 -6.040 9.685 1.00 0.00 O ATOM 1895 CB ASN A 118 -9.685 -7.449 7.932 1.00 0.00 C ATOM 1896 CG ASN A 118 -10.836 -8.266 7.320 1.00 0.00 C ATOM 1897 OD1 ASN A 118 -11.586 -8.955 8.017 1.00 0.00 O ATOM 1898 ND2 ASN A 118 -10.977 -8.206 6.019 1.00 0.00 N ATOM 0 H ASN A 118 -10.794 -7.579 10.248 1.00 0.00 H new ATOM 0 HA ASN A 118 -8.704 -9.083 8.914 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -10.055 -6.456 8.188 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -8.909 -7.315 7.178 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -11.719 -8.736 5.561 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -10.345 -7.630 5.464 1.00 0.00 H new ATOM 1905 N ASN A 119 -6.824 -7.960 10.151 1.00 0.00 N ATOM 1906 CA ASN A 119 -5.636 -7.278 10.709 1.00 0.00 C ATOM 1907 C ASN A 119 -4.399 -8.178 10.738 1.00 0.00 C ATOM 1908 O ASN A 119 -3.430 -7.874 11.425 1.00 0.00 O ATOM 1909 CB ASN A 119 -5.913 -6.782 12.145 1.00 0.00 C ATOM 1910 CG ASN A 119 -6.142 -7.900 13.150 1.00 0.00 C ATOM 1911 OD1 ASN A 119 -7.375 -8.288 13.320 1.00 0.00 O flip ATOM 1912 ND2 ASN A 119 -5.209 -8.405 13.777 1.00 0.00 N flip ATOM 0 H ASN A 119 -6.773 -8.979 10.165 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.435 -6.435 10.048 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -5.071 -6.175 12.478 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.789 -6.133 12.132 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -4.255 -8.080 13.622 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -5.391 -9.148 14.451 1.00 0.00 H new ATOM 1919 N THR A 120 -4.387 -9.234 9.965 1.00 0.00 N ATOM 1920 CA THR A 120 -3.290 -10.197 10.038 1.00 0.00 C ATOM 1921 C THR A 120 -1.922 -9.584 9.650 1.00 0.00 C ATOM 1922 O THR A 120 -0.891 -9.934 10.221 1.00 0.00 O ATOM 1923 CB THR A 120 -3.596 -11.411 9.178 1.00 0.00 C ATOM 1924 OG1 THR A 120 -4.934 -11.826 9.466 1.00 0.00 O ATOM 1925 CG2 THR A 120 -2.650 -12.563 9.481 1.00 0.00 C ATOM 0 H THR A 120 -5.110 -9.458 9.281 1.00 0.00 H new ATOM 0 HA THR A 120 -3.208 -10.504 11.081 1.00 0.00 H new ATOM 0 HB THR A 120 -3.474 -11.142 8.129 1.00 0.00 H new ATOM 0 HG1 THR A 120 -5.158 -12.609 8.921 1.00 0.00 H new ATOM 0 HG21 THR A 120 -2.899 -13.414 8.847 1.00 0.00 H new ATOM 0 HG22 THR A 120 -1.624 -12.252 9.285 1.00 0.00 H new ATOM 0 HG23 THR A 120 -2.749 -12.849 10.528 1.00 0.00 H new ATOM 1933 N HIS A 121 -1.912 -8.650 8.717 1.00 0.00 N ATOM 1934 CA HIS A 121 -0.639 -8.033 8.321 1.00 0.00 C ATOM 1935 C HIS A 121 -0.588 -6.569 8.755 1.00 0.00 C ATOM 1936 O HIS A 121 0.264 -5.815 8.310 1.00 0.00 O ATOM 1937 CB HIS A 121 -0.350 -8.166 6.806 1.00 0.00 C ATOM 1938 CG HIS A 121 -0.229 -9.584 6.292 1.00 0.00 C ATOM 1939 ND1 HIS A 121 0.913 -10.348 6.403 1.00 0.00 N ATOM 1940 CD2 HIS A 121 -1.129 -10.365 5.646 1.00 0.00 C ATOM 1941 CE1 HIS A 121 0.706 -11.528 5.843 1.00 0.00 C ATOM 1942 NE2 HIS A 121 -0.528 -11.558 5.380 1.00 0.00 N ATOM 0 H HIS A 121 -2.737 -8.304 8.227 1.00 0.00 H new ATOM 0 HA HIS A 121 0.147 -8.583 8.838 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -1.146 -7.664 6.256 1.00 0.00 H new ATOM 0 HB3 HIS A 121 0.575 -7.636 6.582 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -2.141 -10.091 5.388 1.00 0.00 H new ATOM 0 HE1 HIS A 121 1.426 -12.331 5.776 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -0.962 -12.347 4.900 1.00 0.00 H new ATOM 1951 N GLU A 122 -1.490 -6.203 9.661 1.00 0.00 N ATOM 1952 CA GLU A 122 -1.584 -4.850 10.223 1.00 0.00 C ATOM 1953 C GLU A 122 -0.244 -4.404 10.837 1.00 0.00 C ATOM 1954 O GLU A 122 0.326 -3.386 10.466 1.00 0.00 O ATOM 1955 CB GLU A 122 -2.595 -4.884 11.340 1.00 0.00 C ATOM 1956 CG GLU A 122 -2.743 -3.598 12.104 1.00 0.00 C ATOM 1957 CD GLU A 122 -3.102 -3.865 13.534 1.00 0.00 C ATOM 1958 OE1 GLU A 122 -4.004 -4.666 13.801 1.00 0.00 O ATOM 1959 OE2 GLU A 122 -2.453 -3.301 14.424 1.00 0.00 O ATOM 0 H GLU A 122 -2.189 -6.845 10.034 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.861 -4.161 9.426 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -3.565 -5.155 10.923 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -2.316 -5.673 12.038 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -1.812 -3.033 12.058 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -3.513 -2.981 11.640 1.00 0.00 H new ATOM 1966 N GLN A 123 0.236 -5.195 11.782 1.00 0.00 N ATOM 1967 CA GLN A 123 1.458 -4.888 12.521 1.00 0.00 C ATOM 1968 C GLN A 123 2.702 -4.933 11.641 1.00 0.00 C ATOM 1969 O GLN A 123 3.709 -4.272 11.913 1.00 0.00 O ATOM 1970 CB GLN A 123 1.565 -5.774 13.754 1.00 0.00 C ATOM 1971 CG GLN A 123 1.417 -7.258 13.483 1.00 0.00 C ATOM 1972 CD GLN A 123 1.294 -8.048 14.761 1.00 0.00 C ATOM 1973 OE1 GLN A 123 2.292 -8.484 15.338 1.00 0.00 O ATOM 1974 NE2 GLN A 123 0.084 -8.227 15.224 1.00 0.00 N ATOM 0 H GLN A 123 -0.208 -6.070 12.062 1.00 0.00 H new ATOM 0 HA GLN A 123 1.395 -3.855 12.864 1.00 0.00 H new ATOM 0 HB2 GLN A 123 2.531 -5.600 14.227 1.00 0.00 H new ATOM 0 HB3 GLN A 123 0.801 -5.471 14.470 1.00 0.00 H new ATOM 0 HG2 GLN A 123 0.537 -7.429 12.863 1.00 0.00 H new ATOM 0 HG3 GLN A 123 2.279 -7.612 12.917 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -0.717 -7.850 14.717 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -0.059 -8.743 16.092 1.00 0.00 H new ATOM 1983 N LEU A 124 2.601 -5.675 10.577 1.00 0.00 N ATOM 1984 CA LEU A 124 3.634 -5.748 9.572 1.00 0.00 C ATOM 1985 C LEU A 124 3.750 -4.356 8.932 1.00 0.00 C ATOM 1986 O LEU A 124 4.825 -3.769 8.866 1.00 0.00 O ATOM 1987 CB LEU A 124 3.235 -6.856 8.549 1.00 0.00 C ATOM 1988 CG LEU A 124 4.169 -7.194 7.360 1.00 0.00 C ATOM 1989 CD1 LEU A 124 4.218 -6.097 6.320 1.00 0.00 C ATOM 1990 CD2 LEU A 124 5.566 -7.549 7.827 1.00 0.00 C ATOM 0 H LEU A 124 1.788 -6.257 10.375 1.00 0.00 H new ATOM 0 HA LEU A 124 4.608 -6.016 9.981 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.084 -7.777 9.113 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.268 -6.576 8.131 1.00 0.00 H new ATOM 0 HG LEU A 124 3.734 -8.071 6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 124 4.888 -6.391 5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.218 -5.930 5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 124 4.583 -5.178 6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 124 6.191 -7.780 6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 124 5.994 -6.706 8.369 1.00 0.00 H new ATOM 0 HD23 LEU A 124 5.520 -8.417 8.484 1.00 0.00 H new ATOM 2002 N LEU A 125 2.613 -3.819 8.538 1.00 0.00 N ATOM 2003 CA LEU A 125 2.536 -2.487 7.946 1.00 0.00 C ATOM 2004 C LEU A 125 2.981 -1.415 8.941 1.00 0.00 C ATOM 2005 O LEU A 125 3.520 -0.380 8.552 1.00 0.00 O ATOM 2006 CB LEU A 125 1.116 -2.212 7.468 1.00 0.00 C ATOM 2007 CG LEU A 125 0.576 -3.193 6.435 1.00 0.00 C ATOM 2008 CD1 LEU A 125 -0.865 -2.898 6.113 1.00 0.00 C ATOM 2009 CD2 LEU A 125 1.407 -3.153 5.183 1.00 0.00 C ATOM 0 H LEU A 125 1.712 -4.290 8.617 1.00 0.00 H new ATOM 0 HA LEU A 125 3.213 -2.452 7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.452 -2.217 8.332 1.00 0.00 H new ATOM 0 HB3 LEU A 125 1.081 -1.208 7.045 1.00 0.00 H new ATOM 0 HG LEU A 125 0.634 -4.195 6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -1.226 -3.612 5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.465 -2.980 7.020 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.949 -1.888 5.713 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.006 -3.860 4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 125 1.382 -2.148 4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 125 2.436 -3.422 5.421 1.00 0.00 H new ATOM 2021 N ARG A 126 2.779 -1.678 10.230 1.00 0.00 N ATOM 2022 CA ARG A 126 3.197 -0.750 11.273 1.00 0.00 C ATOM 2023 C ARG A 126 4.697 -0.476 11.239 1.00 0.00 C ATOM 2024 O ARG A 126 5.126 0.678 11.429 1.00 0.00 O ATOM 2025 CB ARG A 126 2.816 -1.223 12.660 1.00 0.00 C ATOM 2026 CG ARG A 126 1.349 -1.241 12.964 1.00 0.00 C ATOM 2027 CD ARG A 126 1.167 -1.711 14.381 1.00 0.00 C ATOM 2028 NE ARG A 126 -0.237 -1.754 14.806 1.00 0.00 N ATOM 2029 CZ ARG A 126 -0.765 -1.071 15.829 1.00 0.00 C ATOM 2030 NH1 ARG A 126 -0.070 -0.136 16.455 1.00 0.00 N ATOM 2031 NH2 ARG A 126 -2.009 -1.311 16.182 1.00 0.00 N ATOM 0 H ARG A 126 2.329 -2.526 10.575 1.00 0.00 H new ATOM 0 HA ARG A 126 2.662 0.175 11.059 1.00 0.00 H new ATOM 0 HB2 ARG A 126 3.209 -2.230 12.800 1.00 0.00 H new ATOM 0 HB3 ARG A 126 3.311 -0.583 13.390 1.00 0.00 H new ATOM 0 HG2 ARG A 126 0.922 -0.246 12.836 1.00 0.00 H new ATOM 0 HG3 ARG A 126 0.826 -1.903 12.274 1.00 0.00 H new ATOM 0 HD2 ARG A 126 1.601 -2.706 14.484 1.00 0.00 H new ATOM 0 HD3 ARG A 126 1.721 -1.051 15.049 1.00 0.00 H new ATOM 0 HE ARG A 126 -0.866 -2.357 14.275 1.00 0.00 H new ATOM 0 HH11 ARG A 126 0.884 0.074 16.160 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -0.488 0.375 17.233 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -2.556 -2.009 15.678 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -2.426 -0.799 16.959 1.00 0.00 H new ATOM 2045 N LYS A 127 5.504 -1.515 11.014 1.00 0.00 N ATOM 2046 CA LYS A 127 6.962 -1.317 10.951 1.00 0.00 C ATOM 2047 C LYS A 127 7.349 -0.536 9.700 1.00 0.00 C ATOM 2048 O LYS A 127 8.280 0.279 9.714 1.00 0.00 O ATOM 2049 CB LYS A 127 7.799 -2.647 11.130 1.00 0.00 C ATOM 2050 CG LYS A 127 7.608 -3.794 10.099 1.00 0.00 C ATOM 2051 CD LYS A 127 8.144 -3.446 8.704 1.00 0.00 C ATOM 2052 CE LYS A 127 7.866 -4.538 7.683 1.00 0.00 C ATOM 2053 NZ LYS A 127 8.750 -5.694 7.854 1.00 0.00 N ATOM 0 H LYS A 127 5.190 -2.476 10.876 1.00 0.00 H new ATOM 0 HA LYS A 127 7.232 -0.713 11.817 1.00 0.00 H new ATOM 0 HB2 LYS A 127 8.855 -2.376 11.130 1.00 0.00 H new ATOM 0 HB3 LYS A 127 7.573 -3.049 12.117 1.00 0.00 H new ATOM 0 HG2 LYS A 127 8.113 -4.689 10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 127 6.547 -4.034 10.024 1.00 0.00 H new ATOM 0 HD2 LYS A 127 7.691 -2.514 8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 127 9.219 -3.274 8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 127 6.828 -4.860 7.771 1.00 0.00 H new ATOM 0 HE3 LYS A 127 7.990 -4.134 6.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 8.524 -6.413 7.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 9.740 -5.394 7.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 8.614 -6.097 8.803 1.00 0.00 H new ATOM 2067 N SER A 128 6.616 -0.781 8.642 1.00 0.00 N ATOM 2068 CA SER A 128 6.805 -0.117 7.373 1.00 0.00 C ATOM 2069 C SER A 128 6.507 1.376 7.505 1.00 0.00 C ATOM 2070 O SER A 128 7.217 2.224 6.945 1.00 0.00 O ATOM 2071 CB SER A 128 5.895 -0.795 6.369 1.00 0.00 C ATOM 2072 OG SER A 128 6.205 -2.163 6.332 1.00 0.00 O ATOM 0 H SER A 128 5.856 -1.461 8.637 1.00 0.00 H new ATOM 0 HA SER A 128 7.839 -0.195 7.036 1.00 0.00 H new ATOM 0 HB2 SER A 128 4.851 -0.652 6.648 1.00 0.00 H new ATOM 0 HB3 SER A 128 6.025 -0.351 5.382 1.00 0.00 H new ATOM 0 HG SER A 128 6.800 -2.343 5.574 1.00 0.00 H new ATOM 2078 N GLU A 129 5.491 1.682 8.289 1.00 0.00 N ATOM 2079 CA GLU A 129 5.109 3.044 8.578 1.00 0.00 C ATOM 2080 C GLU A 129 6.188 3.730 9.368 1.00 0.00 C ATOM 2081 O GLU A 129 6.562 4.852 9.076 1.00 0.00 O ATOM 2082 CB GLU A 129 3.826 3.067 9.377 1.00 0.00 C ATOM 2083 CG GLU A 129 3.395 4.458 9.729 1.00 0.00 C ATOM 2084 CD GLU A 129 2.162 4.494 10.553 1.00 0.00 C ATOM 2085 OE1 GLU A 129 2.251 4.259 11.776 1.00 0.00 O ATOM 2086 OE2 GLU A 129 1.098 4.785 10.013 1.00 0.00 O ATOM 0 H GLU A 129 4.905 0.983 8.746 1.00 0.00 H new ATOM 0 HA GLU A 129 4.961 3.566 7.633 1.00 0.00 H new ATOM 0 HB2 GLU A 129 3.037 2.579 8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 129 3.961 2.489 10.291 1.00 0.00 H new ATOM 0 HG2 GLU A 129 4.200 4.956 10.269 1.00 0.00 H new ATOM 0 HG3 GLU A 129 3.229 5.023 8.812 1.00 0.00 H new ATOM 2093 N ALA A 130 6.682 3.033 10.371 1.00 0.00 N ATOM 2094 CA ALA A 130 7.732 3.544 11.245 1.00 0.00 C ATOM 2095 C ALA A 130 8.963 3.927 10.440 1.00 0.00 C ATOM 2096 O ALA A 130 9.623 4.935 10.729 1.00 0.00 O ATOM 2097 CB ALA A 130 8.086 2.519 12.308 1.00 0.00 C ATOM 0 H ALA A 130 6.369 2.092 10.608 1.00 0.00 H new ATOM 0 HA ALA A 130 7.358 4.439 11.741 1.00 0.00 H new ATOM 0 HB1 ALA A 130 8.871 2.918 12.951 1.00 0.00 H new ATOM 0 HB2 ALA A 130 7.203 2.297 12.908 1.00 0.00 H new ATOM 0 HB3 ALA A 130 8.438 1.605 11.829 1.00 0.00 H new ATOM 2103 N GLN A 131 9.235 3.145 9.406 1.00 0.00 N ATOM 2104 CA GLN A 131 10.354 3.390 8.526 1.00 0.00 C ATOM 2105 C GLN A 131 10.103 4.718 7.811 1.00 0.00 C ATOM 2106 O GLN A 131 10.917 5.629 7.876 1.00 0.00 O ATOM 2107 CB GLN A 131 10.467 2.211 7.519 1.00 0.00 C ATOM 2108 CG GLN A 131 11.837 2.021 6.842 1.00 0.00 C ATOM 2109 CD GLN A 131 12.228 3.064 5.798 1.00 0.00 C ATOM 2110 OE1 GLN A 131 11.287 3.555 5.025 1.00 0.00 O flip ATOM 2111 NE2 GLN A 131 13.402 3.371 5.649 1.00 0.00 N flip ATOM 0 H GLN A 131 8.683 2.324 9.158 1.00 0.00 H new ATOM 0 HA GLN A 131 11.293 3.454 9.075 1.00 0.00 H new ATOM 0 HB2 GLN A 131 10.213 1.289 8.042 1.00 0.00 H new ATOM 0 HB3 GLN A 131 9.717 2.353 6.741 1.00 0.00 H new ATOM 0 HG2 GLN A 131 12.603 2.010 7.618 1.00 0.00 H new ATOM 0 HG3 GLN A 131 11.850 1.040 6.367 1.00 0.00 H new ATOM 0 HE21 GLN A 131 14.114 2.976 6.263 1.00 0.00 H new ATOM 0 HE22 GLN A 131 13.669 4.022 4.911 1.00 0.00 H new ATOM 2120 N ALA A 132 8.915 4.843 7.248 1.00 0.00 N ATOM 2121 CA ALA A 132 8.521 6.017 6.482 1.00 0.00 C ATOM 2122 C ALA A 132 8.431 7.285 7.346 1.00 0.00 C ATOM 2123 O ALA A 132 8.749 8.392 6.873 1.00 0.00 O ATOM 2124 CB ALA A 132 7.214 5.750 5.778 1.00 0.00 C ATOM 0 H ALA A 132 8.189 4.129 7.308 1.00 0.00 H new ATOM 0 HA ALA A 132 9.300 6.205 5.743 1.00 0.00 H new ATOM 0 HB1 ALA A 132 6.922 6.631 5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 132 7.331 4.902 5.104 1.00 0.00 H new ATOM 0 HB3 ALA A 132 6.443 5.525 6.515 1.00 0.00 H new ATOM 2130 N LYS A 133 8.003 7.118 8.602 1.00 0.00 N ATOM 2131 CA LYS A 133 7.897 8.208 9.552 1.00 0.00 C ATOM 2132 C LYS A 133 9.231 8.898 9.763 1.00 0.00 C ATOM 2133 O LYS A 133 9.327 10.122 9.647 1.00 0.00 O ATOM 2134 CB LYS A 133 7.397 7.707 10.912 1.00 0.00 C ATOM 2135 CG LYS A 133 5.913 7.390 11.025 1.00 0.00 C ATOM 2136 CD LYS A 133 5.594 6.929 12.453 1.00 0.00 C ATOM 2137 CE LYS A 133 4.109 6.672 12.687 1.00 0.00 C ATOM 2138 NZ LYS A 133 3.291 7.895 12.586 1.00 0.00 N ATOM 0 H LYS A 133 7.721 6.214 8.981 1.00 0.00 H new ATOM 0 HA LYS A 133 7.185 8.917 9.130 1.00 0.00 H new ATOM 0 HB2 LYS A 133 7.957 6.808 11.169 1.00 0.00 H new ATOM 0 HB3 LYS A 133 7.641 8.460 11.662 1.00 0.00 H new ATOM 0 HG2 LYS A 133 5.322 8.272 10.776 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.641 6.612 10.311 1.00 0.00 H new ATOM 0 HD2 LYS A 133 6.151 6.017 12.666 1.00 0.00 H new ATOM 0 HD3 LYS A 133 5.940 7.686 13.157 1.00 0.00 H new ATOM 0 HE2 LYS A 133 3.753 5.942 11.960 1.00 0.00 H new ATOM 0 HE3 LYS A 133 3.973 6.231 13.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 2.420 7.777 13.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 3.830 8.704 12.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 3.046 8.067 11.590 1.00 0.00 H new ATOM 2152 N LYS A 134 10.270 8.116 10.036 1.00 0.00 N ATOM 2153 CA LYS A 134 11.572 8.694 10.329 1.00 0.00 C ATOM 2154 C LYS A 134 12.266 9.159 9.059 1.00 0.00 C ATOM 2155 O LYS A 134 13.103 10.074 9.087 1.00 0.00 O ATOM 2156 CB LYS A 134 12.443 7.743 11.202 1.00 0.00 C ATOM 2157 CG LYS A 134 12.785 6.371 10.611 1.00 0.00 C ATOM 2158 CD LYS A 134 13.953 6.420 9.637 1.00 0.00 C ATOM 2159 CE LYS A 134 14.225 5.053 9.052 1.00 0.00 C ATOM 2160 NZ LYS A 134 15.403 5.049 8.163 1.00 0.00 N ATOM 0 H LYS A 134 10.236 7.097 10.060 1.00 0.00 H new ATOM 0 HA LYS A 134 11.419 9.587 10.935 1.00 0.00 H new ATOM 0 HB2 LYS A 134 13.378 8.255 11.431 1.00 0.00 H new ATOM 0 HB3 LYS A 134 11.926 7.584 12.148 1.00 0.00 H new ATOM 0 HG2 LYS A 134 13.023 5.681 11.421 1.00 0.00 H new ATOM 0 HG3 LYS A 134 11.909 5.973 10.100 1.00 0.00 H new ATOM 0 HD2 LYS A 134 13.734 7.126 8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 134 14.844 6.785 10.149 1.00 0.00 H new ATOM 0 HE2 LYS A 134 14.380 4.339 9.860 1.00 0.00 H new ATOM 0 HE3 LYS A 134 13.350 4.718 8.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 15.303 4.292 7.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 15.476 5.966 7.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 16.262 4.886 8.726 1.00 0.00 H new ATOM 2174 N GLU A 135 11.874 8.566 7.942 1.00 0.00 N ATOM 2175 CA GLU A 135 12.412 8.935 6.658 1.00 0.00 C ATOM 2176 C GLU A 135 11.803 10.214 6.146 1.00 0.00 C ATOM 2177 O GLU A 135 12.345 10.825 5.232 1.00 0.00 O ATOM 2178 CB GLU A 135 12.106 7.856 5.671 1.00 0.00 C ATOM 2179 CG GLU A 135 12.927 6.636 5.863 1.00 0.00 C ATOM 2180 CD GLU A 135 14.351 6.832 5.495 1.00 0.00 C ATOM 2181 OE1 GLU A 135 14.678 6.682 4.307 1.00 0.00 O ATOM 2182 OE2 GLU A 135 15.183 7.106 6.387 1.00 0.00 O ATOM 0 H GLU A 135 11.178 7.821 7.908 1.00 0.00 H new ATOM 0 HA GLU A 135 13.486 9.076 6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 135 11.051 7.592 5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 135 12.266 8.239 4.663 1.00 0.00 H new ATOM 0 HG2 GLU A 135 12.866 6.324 6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 135 12.511 5.826 5.264 1.00 0.00 H new ATOM 2189 N LYS A 136 10.697 10.640 6.785 1.00 0.00 N ATOM 2190 CA LYS A 136 9.944 11.826 6.378 1.00 0.00 C ATOM 2191 C LYS A 136 9.655 11.788 4.889 1.00 0.00 C ATOM 2192 O LYS A 136 9.945 12.731 4.144 1.00 0.00 O ATOM 2193 CB LYS A 136 10.655 13.110 6.794 1.00 0.00 C ATOM 2194 CG LYS A 136 10.712 13.286 8.309 1.00 0.00 C ATOM 2195 CD LYS A 136 11.598 14.448 8.725 1.00 0.00 C ATOM 2196 CE LYS A 136 13.077 14.126 8.531 1.00 0.00 C ATOM 2197 NZ LYS A 136 13.516 12.986 9.376 1.00 0.00 N ATOM 0 H LYS A 136 10.305 10.166 7.599 1.00 0.00 H new ATOM 0 HA LYS A 136 8.987 11.819 6.899 1.00 0.00 H new ATOM 0 HB2 LYS A 136 11.669 13.105 6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 136 10.142 13.964 6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 136 9.704 13.446 8.691 1.00 0.00 H new ATOM 0 HG3 LYS A 136 11.084 12.368 8.765 1.00 0.00 H new ATOM 0 HD2 LYS A 136 11.338 15.331 8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 136 11.412 14.691 9.771 1.00 0.00 H new ATOM 0 HE2 LYS A 136 13.262 13.892 7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 136 13.674 15.006 8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 14.554 12.980 9.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 13.112 13.084 10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 13.190 12.094 8.952 1.00 0.00 H new ATOM 2211 N LEU A 137 9.121 10.659 4.464 1.00 0.00 N ATOM 2212 CA LEU A 137 8.779 10.442 3.081 1.00 0.00 C ATOM 2213 C LEU A 137 7.519 11.208 2.752 1.00 0.00 C ATOM 2214 O LEU A 137 6.859 11.652 3.651 1.00 0.00 O ATOM 2215 CB LEU A 137 8.655 8.949 2.809 1.00 0.00 C ATOM 2216 CG LEU A 137 9.967 8.171 2.972 1.00 0.00 C ATOM 2217 CD1 LEU A 137 9.747 6.685 2.895 1.00 0.00 C ATOM 2218 CD2 LEU A 137 10.977 8.597 1.923 1.00 0.00 C ATOM 0 H LEU A 137 8.914 9.868 5.073 1.00 0.00 H new ATOM 0 HA LEU A 137 9.566 10.817 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 137 7.910 8.528 3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 137 8.284 8.805 1.794 1.00 0.00 H new ATOM 0 HG LEU A 137 10.359 8.404 3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 137 10.700 6.169 3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 137 9.065 6.377 3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 137 9.316 6.431 1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 137 11.900 8.033 2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 137 10.574 8.402 0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 137 11.184 9.662 2.028 1.00 0.00 H new ATOM 2230 N ASN A 138 7.178 11.292 1.479 1.00 0.00 N ATOM 2231 CA ASN A 138 6.126 12.208 0.932 1.00 0.00 C ATOM 2232 C ASN A 138 4.921 12.558 1.853 1.00 0.00 C ATOM 2233 O ASN A 138 4.580 13.729 1.962 1.00 0.00 O ATOM 2234 CB ASN A 138 5.644 11.779 -0.467 1.00 0.00 C ATOM 2235 CG ASN A 138 4.827 10.517 -0.491 1.00 0.00 C ATOM 2236 OD1 ASN A 138 3.599 10.569 -0.410 1.00 0.00 O ATOM 2237 ND2 ASN A 138 5.481 9.393 -0.617 1.00 0.00 N ATOM 0 H ASN A 138 7.620 10.722 0.758 1.00 0.00 H new ATOM 0 HA ASN A 138 6.671 13.149 0.863 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.052 12.587 -0.896 1.00 0.00 H new ATOM 0 HB3 ASN A 138 6.513 11.645 -1.111 1.00 0.00 H new ATOM 0 HD21 ASN A 138 4.974 8.509 -0.652 1.00 0.00 H new ATOM 0 HD22 ASN A 138 6.499 9.400 -0.680 1.00 0.00 H new ATOM 2244 N ILE A 139 4.250 11.590 2.482 1.00 0.00 N ATOM 2245 CA ILE A 139 3.111 11.962 3.348 1.00 0.00 C ATOM 2246 C ILE A 139 3.542 12.363 4.780 1.00 0.00 C ATOM 2247 O ILE A 139 2.811 13.058 5.491 1.00 0.00 O ATOM 2248 CB ILE A 139 1.992 10.894 3.437 1.00 0.00 C ATOM 2249 CG1 ILE A 139 2.494 9.641 4.149 1.00 0.00 C ATOM 2250 CG2 ILE A 139 1.454 10.557 2.051 1.00 0.00 C ATOM 2251 CD1 ILE A 139 1.455 8.576 4.313 1.00 0.00 C ATOM 0 H ILE A 139 4.454 10.592 2.420 1.00 0.00 H new ATOM 0 HA ILE A 139 2.694 12.833 2.842 1.00 0.00 H new ATOM 0 HB ILE A 139 1.172 11.308 4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 139 3.335 9.231 3.590 1.00 0.00 H new ATOM 0 HG13 ILE A 139 2.871 9.921 5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 139 0.670 9.805 2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 139 1.045 11.457 1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 139 2.262 10.168 1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 139 1.890 7.719 4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 139 0.623 8.967 4.899 1.00 0.00 H new ATOM 0 HD13 ILE A 139 1.094 8.265 3.332 1.00 0.00 H new ATOM 2263 N TRP A 140 4.718 11.913 5.184 1.00 0.00 N ATOM 2264 CA TRP A 140 5.250 12.152 6.525 1.00 0.00 C ATOM 2265 C TRP A 140 6.189 13.341 6.498 1.00 0.00 C ATOM 2266 O TRP A 140 6.705 13.789 7.530 1.00 0.00 O ATOM 2267 CB TRP A 140 6.006 10.918 7.032 1.00 0.00 C ATOM 2268 CG TRP A 140 5.167 9.683 7.090 1.00 0.00 C ATOM 2269 CD1 TRP A 140 5.247 8.601 6.270 1.00 0.00 C ATOM 2270 CD2 TRP A 140 4.104 9.414 8.003 1.00 0.00 C ATOM 2271 NE1 TRP A 140 4.316 7.664 6.634 1.00 0.00 N ATOM 2272 CE2 TRP A 140 3.600 8.143 7.690 1.00 0.00 C ATOM 2273 CE3 TRP A 140 3.535 10.123 9.061 1.00 0.00 C ATOM 2274 CZ2 TRP A 140 2.558 7.569 8.392 1.00 0.00 C ATOM 2275 CZ3 TRP A 140 2.493 9.548 9.756 1.00 0.00 C ATOM 2276 CH2 TRP A 140 2.017 8.282 9.419 1.00 0.00 C ATOM 0 H TRP A 140 5.340 11.366 4.589 1.00 0.00 H new ATOM 0 HA TRP A 140 4.417 12.356 7.197 1.00 0.00 H new ATOM 0 HB2 TRP A 140 6.862 10.735 6.383 1.00 0.00 H new ATOM 0 HB3 TRP A 140 6.399 11.127 8.027 1.00 0.00 H new ATOM 0 HD1 TRP A 140 5.943 8.496 5.451 1.00 0.00 H new ATOM 0 HE1 TRP A 140 4.181 6.757 6.188 1.00 0.00 H new ATOM 0 HE3 TRP A 140 3.903 11.102 9.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 2.185 6.588 8.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 2.038 10.087 10.574 1.00 0.00 H new ATOM 0 HH2 TRP A 140 1.201 7.857 9.985 1.00 0.00 H new ATOM 2287 N SER A 141 6.383 13.855 5.309 1.00 0.00 N ATOM 2288 CA SER A 141 7.231 14.985 5.020 1.00 0.00 C ATOM 2289 C SER A 141 6.470 16.284 5.351 1.00 0.00 C ATOM 2290 O SER A 141 6.419 17.234 4.575 1.00 0.00 O ATOM 2291 CB SER A 141 7.633 14.890 3.531 1.00 0.00 C ATOM 2292 OG SER A 141 8.565 15.875 3.120 1.00 0.00 O ATOM 0 H SER A 141 5.932 13.478 4.475 1.00 0.00 H new ATOM 0 HA SER A 141 8.138 14.988 5.625 1.00 0.00 H new ATOM 0 HB2 SER A 141 8.056 13.903 3.342 1.00 0.00 H new ATOM 0 HB3 SER A 141 6.736 14.975 2.917 1.00 0.00 H new ATOM 0 HG SER A 141 8.246 16.761 3.393 1.00 0.00 H new