USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 558 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 25 TYR OH : rot 171:sc= -0.0947 USER MOD Set 1.2: A 39 ASN : amide:sc= -1.65 X(o=-2.4,f=-2.5!) USER MOD Set 1.3: A 44 THR OG1 : rot 120:sc= 0.133 USER MOD Set 1.4: A 48 GLN : amide:sc= -0.826 K(o=-2.4,f=-1.9) USER MOD Set 1.5: A 71 MET CE :methyl -116:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 1:sc= 1.27 USER MOD Single : A 26 LYS NZ :NH3+ 170:sc=-0.00494 (180deg=-0.103) USER MOD Single : A 27 THR OG1 : rot 64:sc= 0.867 USER MOD Single : A 32 GLN : amide:sc= 1.05 K(o=1,f=-2.5!) USER MOD Single : A 34 SER OG : rot -146:sc= 0.602 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 38 LYS NZ :NH3+ -125:sc= 0.753 (180deg=-0.919!) USER MOD Single : A 41 MET CE :methyl 165:sc= -0.0176 (180deg=-0.28) USER MOD Single : A 42 THR OG1 : rot -160:sc= -0.189 USER MOD Single : A 49 ASN : amide:sc= -0.0222 X(o=-0.022,f=0) USER MOD Single : A 51 ASN : amide:sc= -1.38! C(o=-1.4!,f=-2.7!) USER MOD Single : A 54 CYS SG : rot 164:sc= -2.8! USER MOD Single : A 55 LYS NZ :NH3+ -150:sc= 0.898 (180deg=-0.611) USER MOD Single : A 56 THR OG1 : rot 101:sc= 1.24 USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= 0.988 (180deg=0.563) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0438 USER MOD Single : A 70 MET CE :methyl 179:sc= -0.0125 (180deg=-0.0161) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0442 USER MOD Single : A 74 CYS SG : rot 108:sc= -1.13 USER MOD Single : A 75 GLN : amide:sc= 0.847 K(o=0.85,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 2.879 -12.696 -0.585 1.00 0.00 N ATOM 71 CA ILE A 6 2.987 -13.346 0.725 1.00 0.00 C ATOM 72 C ILE A 6 3.829 -12.571 1.772 1.00 0.00 C ATOM 73 O ILE A 6 4.298 -13.074 2.781 1.00 0.00 O ATOM 74 CB ILE A 6 3.255 -14.858 0.601 1.00 0.00 C ATOM 75 CG1 ILE A 6 2.361 -15.656 1.574 1.00 0.00 C ATOM 76 CG2 ILE A 6 4.742 -15.202 0.739 1.00 0.00 C ATOM 77 CD1 ILE A 6 2.339 -15.135 3.024 1.00 0.00 C ATOM 0 HA ILE A 6 2.000 -13.287 1.184 1.00 0.00 H new ATOM 0 HB ILE A 6 2.981 -15.161 -0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.341 -15.654 1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.697 -16.693 1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.877 -16.279 0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.307 -14.695 -0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.102 -14.876 1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.683 -15.763 3.626 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.348 -15.164 3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.971 -14.109 3.036 1.00 0.00 H new ATOM 89 N LEU A 7 3.952 -11.275 1.568 1.00 0.00 N ATOM 90 CA LEU A 7 4.464 -10.319 2.556 1.00 0.00 C ATOM 91 C LEU A 7 3.575 -9.070 2.652 1.00 0.00 C ATOM 92 O LEU A 7 3.951 -8.026 3.173 1.00 0.00 O ATOM 93 CB LEU A 7 5.964 -10.115 2.323 1.00 0.00 C ATOM 94 CG LEU A 7 6.397 -9.590 0.938 1.00 0.00 C ATOM 95 CD1 LEU A 7 5.920 -8.169 0.620 1.00 0.00 C ATOM 96 CD2 LEU A 7 7.922 -9.601 0.854 1.00 0.00 C ATOM 0 H LEU A 7 3.693 -10.834 0.685 1.00 0.00 H new ATOM 0 HA LEU A 7 4.395 -10.711 3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.332 -9.420 3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.465 -11.067 2.495 1.00 0.00 H new ATOM 0 HG LEU A 7 5.931 -10.255 0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.269 -7.881 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.831 -8.137 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.320 -7.477 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.235 -9.231 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.334 -8.961 1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.287 -10.619 0.990 1.00 0.00 H new ATOM 108 N ASP A 8 2.347 -9.240 2.166 1.00 0.00 N ATOM 109 CA ASP A 8 1.309 -8.230 1.948 1.00 0.00 C ATOM 110 C ASP A 8 -0.040 -8.632 2.577 1.00 0.00 C ATOM 111 O ASP A 8 -0.863 -7.777 2.892 1.00 0.00 O ATOM 112 CB ASP A 8 1.156 -8.031 0.430 1.00 0.00 C ATOM 113 CG ASP A 8 0.621 -9.270 -0.305 1.00 0.00 C ATOM 114 OD1 ASP A 8 1.120 -10.398 -0.075 1.00 0.00 O ATOM 115 OD2 ASP A 8 -0.287 -9.110 -1.148 1.00 0.00 O ATOM 0 H ASP A 8 2.023 -10.167 1.890 1.00 0.00 H new ATOM 0 HA ASP A 8 1.609 -7.302 2.434 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.483 -7.193 0.248 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.124 -7.759 0.009 1.00 0.00 H new ATOM 120 N ILE A 9 -0.237 -9.938 2.805 1.00 0.00 N ATOM 121 CA ILE A 9 -1.447 -10.543 3.396 1.00 0.00 C ATOM 122 C ILE A 9 -1.160 -11.649 4.411 1.00 0.00 C ATOM 123 O ILE A 9 -2.046 -12.378 4.857 1.00 0.00 O ATOM 124 CB ILE A 9 -2.355 -11.111 2.295 1.00 0.00 C ATOM 125 CG1 ILE A 9 -1.631 -12.263 1.564 1.00 0.00 C ATOM 126 CG2 ILE A 9 -2.834 -10.027 1.324 1.00 0.00 C ATOM 127 CD1 ILE A 9 -2.633 -13.155 0.847 1.00 0.00 C ATOM 0 H ILE A 9 0.471 -10.635 2.574 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.940 -9.733 3.933 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.254 -11.510 2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.920 -11.855 0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.058 -12.852 2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.473 -10.476 0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.398 -9.272 1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.973 -9.561 0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.104 -13.961 0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.327 -13.579 1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.187 -12.566 0.116 1.00 0.00 H new ATOM 139 N ARG A 10 0.115 -11.797 4.741 1.00 0.00 N ATOM 140 CA ARG A 10 0.709 -12.927 5.456 1.00 0.00 C ATOM 141 C ARG A 10 0.246 -13.094 6.894 1.00 0.00 C ATOM 142 O ARG A 10 0.368 -14.186 7.427 1.00 0.00 O ATOM 143 CB ARG A 10 2.236 -12.757 5.374 1.00 0.00 C ATOM 144 CG ARG A 10 2.831 -11.731 6.348 1.00 0.00 C ATOM 145 CD ARG A 10 3.249 -12.395 7.663 1.00 0.00 C ATOM 146 NE ARG A 10 4.550 -13.063 7.477 1.00 0.00 N ATOM 147 CZ ARG A 10 5.719 -12.720 7.972 1.00 0.00 C ATOM 148 NH1 ARG A 10 5.819 -11.886 8.970 1.00 0.00 N ATOM 149 NH2 ARG A 10 6.821 -13.194 7.474 1.00 0.00 N ATOM 0 H ARG A 10 0.809 -11.089 4.503 1.00 0.00 H new ATOM 0 HA ARG A 10 0.374 -13.846 4.975 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.704 -13.724 5.559 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.499 -12.465 4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.695 -11.249 5.890 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.099 -10.949 6.549 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.320 -11.649 8.455 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.496 -13.119 7.974 1.00 0.00 H new ATOM 0 HE ARG A 10 4.542 -13.897 6.890 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.978 -11.484 9.385 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.738 -11.636 9.336 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.788 -13.842 6.687 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.720 -12.918 7.870 1.00 0.00 H new ATOM 163 N GLN A 11 -0.234 -11.987 7.469 1.00 0.00 N ATOM 164 CA GLN A 11 -0.545 -11.670 8.877 1.00 0.00 C ATOM 165 C GLN A 11 -0.218 -12.735 9.943 1.00 0.00 C ATOM 166 O GLN A 11 0.523 -12.462 10.880 1.00 0.00 O ATOM 167 CB GLN A 11 -2.010 -11.216 8.952 1.00 0.00 C ATOM 168 CG GLN A 11 -2.384 -10.711 10.353 1.00 0.00 C ATOM 169 CD GLN A 11 -3.612 -9.817 10.306 1.00 0.00 C ATOM 170 OE1 GLN A 11 -3.526 -8.609 10.384 1.00 0.00 O ATOM 171 NE2 GLN A 11 -4.798 -10.354 10.131 1.00 0.00 N ATOM 0 H GLN A 11 -0.443 -11.180 6.882 1.00 0.00 H new ATOM 0 HA GLN A 11 0.147 -10.875 9.155 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.182 -10.424 8.223 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.661 -12.046 8.680 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.574 -11.560 11.010 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.546 -10.160 10.779 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.894 -11.367 10.063 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.623 -9.758 10.063 1.00 0.00 H new ATOM 180 N GLY A 12 -0.773 -13.934 9.802 1.00 0.00 N ATOM 181 CA GLY A 12 -0.416 -15.130 10.556 1.00 0.00 C ATOM 182 C GLY A 12 -1.531 -15.771 11.403 1.00 0.00 C ATOM 183 O GLY A 12 -1.310 -16.136 12.559 1.00 0.00 O ATOM 0 H GLY A 12 -1.519 -14.106 9.128 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.049 -15.878 9.854 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.413 -14.880 11.218 1.00 0.00 H new ATOM 187 N PRO A 13 -2.743 -15.951 10.840 1.00 0.00 N ATOM 188 CA PRO A 13 -3.936 -16.398 11.570 1.00 0.00 C ATOM 189 C PRO A 13 -3.910 -17.867 12.026 1.00 0.00 C ATOM 190 O PRO A 13 -4.438 -18.181 13.090 1.00 0.00 O ATOM 191 CB PRO A 13 -5.093 -16.176 10.586 1.00 0.00 C ATOM 192 CG PRO A 13 -4.418 -16.322 9.220 1.00 0.00 C ATOM 193 CD PRO A 13 -3.069 -15.678 9.451 1.00 0.00 C ATOM 0 HA PRO A 13 -4.020 -15.838 12.502 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.887 -16.910 10.724 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.544 -15.192 10.710 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.324 -17.367 8.924 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.979 -15.817 8.434 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.316 -16.094 8.782 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.108 -14.606 9.260 1.00 0.00 H new ATOM 201 N LYS A 14 -3.291 -18.764 11.241 1.00 0.00 N ATOM 202 CA LYS A 14 -3.264 -20.229 11.392 1.00 0.00 C ATOM 203 C LYS A 14 -4.642 -20.934 11.448 1.00 0.00 C ATOM 204 O LYS A 14 -4.729 -22.070 11.899 1.00 0.00 O ATOM 205 CB LYS A 14 -2.422 -20.570 12.626 1.00 0.00 C ATOM 206 CG LYS A 14 -1.072 -19.842 12.832 1.00 0.00 C ATOM 207 CD LYS A 14 -0.786 -19.551 14.314 1.00 0.00 C ATOM 208 CE LYS A 14 -1.766 -18.499 14.864 1.00 0.00 C ATOM 209 NZ LYS A 14 -1.471 -18.142 16.273 1.00 0.00 N ATOM 0 H LYS A 14 -2.758 -18.463 10.425 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.820 -20.621 10.477 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.036 -20.382 13.507 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.219 -21.641 12.602 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.267 -20.452 12.422 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.078 -18.905 12.275 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.871 -20.471 14.893 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.238 -19.195 14.428 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.718 -17.602 14.246 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.784 -18.881 14.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.155 -17.431 16.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.542 -18.992 16.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.509 -17.752 16.338 1.00 0.00 H new ATOM 223 N GLU A 15 -5.707 -20.272 10.999 1.00 0.00 N ATOM 224 CA GLU A 15 -7.105 -20.695 11.225 1.00 0.00 C ATOM 225 C GLU A 15 -7.863 -21.129 9.942 1.00 0.00 C ATOM 226 O GLU A 15 -8.260 -22.294 9.846 1.00 0.00 O ATOM 227 CB GLU A 15 -7.822 -19.543 11.984 1.00 0.00 C ATOM 228 CG GLU A 15 -8.289 -19.860 13.414 1.00 0.00 C ATOM 229 CD GLU A 15 -9.698 -20.469 13.492 1.00 0.00 C ATOM 230 OE1 GLU A 15 -10.405 -20.563 12.460 1.00 0.00 O ATOM 231 OE2 GLU A 15 -10.107 -20.928 14.580 1.00 0.00 O ATOM 0 H GLU A 15 -5.631 -19.411 10.458 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.101 -21.606 11.824 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.147 -18.688 12.026 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.690 -19.236 11.400 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.580 -20.550 13.872 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.268 -18.943 14.004 1.00 0.00 H new ATOM 238 N PRO A 16 -8.031 -20.271 8.910 1.00 0.00 N ATOM 239 CA PRO A 16 -8.931 -20.529 7.774 1.00 0.00 C ATOM 240 C PRO A 16 -8.267 -21.369 6.658 1.00 0.00 C ATOM 241 O PRO A 16 -8.095 -20.902 5.531 1.00 0.00 O ATOM 242 CB PRO A 16 -9.345 -19.120 7.330 1.00 0.00 C ATOM 243 CG PRO A 16 -8.069 -18.310 7.538 1.00 0.00 C ATOM 244 CD PRO A 16 -7.509 -18.908 8.822 1.00 0.00 C ATOM 0 HA PRO A 16 -9.791 -21.143 8.041 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.669 -19.103 6.290 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.171 -18.734 7.928 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.377 -18.420 6.703 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.276 -17.245 7.642 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.419 -18.911 8.805 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.813 -18.320 9.688 1.00 0.00 H new ATOM 252 N PHE A 17 -7.859 -22.612 6.965 1.00 0.00 N ATOM 253 CA PHE A 17 -6.971 -23.425 6.116 1.00 0.00 C ATOM 254 C PHE A 17 -7.294 -23.398 4.614 1.00 0.00 C ATOM 255 O PHE A 17 -6.486 -22.869 3.869 1.00 0.00 O ATOM 256 CB PHE A 17 -6.805 -24.865 6.645 1.00 0.00 C ATOM 257 CG PHE A 17 -5.573 -25.106 7.522 1.00 0.00 C ATOM 258 CD1 PHE A 17 -5.333 -24.300 8.656 1.00 0.00 C ATOM 259 CD2 PHE A 17 -4.640 -26.120 7.196 1.00 0.00 C ATOM 260 CE1 PHE A 17 -4.152 -24.465 9.405 1.00 0.00 C ATOM 261 CE2 PHE A 17 -3.461 -26.285 7.955 1.00 0.00 C ATOM 262 CZ PHE A 17 -3.214 -25.438 9.041 1.00 0.00 C ATOM 0 H PHE A 17 -8.141 -23.087 7.822 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.005 -22.927 6.196 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -7.694 -25.128 7.218 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.762 -25.544 5.793 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.057 -23.555 8.950 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.832 -26.774 6.358 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.969 -23.838 10.265 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.754 -27.060 7.699 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.296 -25.535 9.601 1.00 0.00 H new ATOM 272 N ARG A 18 -8.425 -23.923 4.117 1.00 0.00 N ATOM 273 CA ARG A 18 -8.672 -24.016 2.666 1.00 0.00 C ATOM 274 C ARG A 18 -8.842 -22.638 2.005 1.00 0.00 C ATOM 275 O ARG A 18 -8.310 -22.355 0.931 1.00 0.00 O ATOM 276 CB ARG A 18 -9.830 -25.000 2.432 1.00 0.00 C ATOM 277 CG ARG A 18 -11.220 -24.636 2.991 1.00 0.00 C ATOM 278 CD ARG A 18 -11.938 -23.636 2.078 1.00 0.00 C ATOM 279 NE ARG A 18 -13.404 -23.803 2.016 1.00 0.00 N ATOM 280 CZ ARG A 18 -14.286 -23.483 2.952 1.00 0.00 C ATOM 281 NH1 ARG A 18 -13.976 -23.182 4.177 1.00 0.00 N ATOM 282 NH2 ARG A 18 -15.551 -23.456 2.646 1.00 0.00 N ATOM 0 H ARG A 18 -9.182 -24.289 4.695 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.795 -24.418 2.160 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.931 -25.145 1.356 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.541 -25.961 2.858 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.823 -25.539 3.092 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.114 -24.211 3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.715 -22.626 2.421 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.532 -23.728 1.071 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.779 -24.209 1.159 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.999 -23.182 4.471 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.709 -22.945 4.845 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.851 -23.679 1.697 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.242 -23.212 3.355 1.00 0.00 H new ATOM 296 N ASP A 19 -9.542 -21.780 2.736 1.00 0.00 N ATOM 297 CA ASP A 19 -10.033 -20.448 2.330 1.00 0.00 C ATOM 298 C ASP A 19 -8.900 -19.475 2.029 1.00 0.00 C ATOM 299 O ASP A 19 -9.048 -18.511 1.280 1.00 0.00 O ATOM 300 CB ASP A 19 -10.846 -19.851 3.487 1.00 0.00 C ATOM 301 CG ASP A 19 -11.930 -20.805 3.971 1.00 0.00 C ATOM 302 OD1 ASP A 19 -11.605 -21.786 4.694 1.00 0.00 O ATOM 303 OD2 ASP A 19 -13.067 -20.695 3.474 1.00 0.00 O ATOM 0 H ASP A 19 -9.805 -22.002 3.696 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.627 -20.584 1.426 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.178 -19.611 4.314 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.303 -18.915 3.165 1.00 0.00 H new ATOM 308 N TYR A 20 -7.770 -19.770 2.652 1.00 0.00 N ATOM 309 CA TYR A 20 -6.563 -18.958 2.682 1.00 0.00 C ATOM 310 C TYR A 20 -5.370 -19.699 2.072 1.00 0.00 C ATOM 311 O TYR A 20 -4.546 -19.044 1.437 1.00 0.00 O ATOM 312 CB TYR A 20 -6.347 -18.557 4.142 1.00 0.00 C ATOM 313 CG TYR A 20 -5.236 -17.584 4.480 1.00 0.00 C ATOM 314 CD1 TYR A 20 -5.093 -16.357 3.799 1.00 0.00 C ATOM 315 CD2 TYR A 20 -4.413 -17.872 5.584 1.00 0.00 C ATOM 316 CE1 TYR A 20 -4.136 -15.417 4.239 1.00 0.00 C ATOM 317 CE2 TYR A 20 -3.433 -16.958 5.997 1.00 0.00 C ATOM 318 CZ TYR A 20 -3.308 -15.719 5.343 1.00 0.00 C ATOM 319 OH TYR A 20 -2.416 -14.821 5.831 1.00 0.00 O ATOM 0 H TYR A 20 -7.664 -20.635 3.182 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.667 -18.064 2.068 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.281 -18.130 4.507 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -6.170 -19.470 4.711 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.714 -16.137 2.943 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.537 -18.803 6.117 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.037 -14.468 3.732 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.775 -17.205 6.817 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.473 -13.990 5.315 1.00 0.00 H new ATOM 329 N VAL A 21 -5.306 -21.042 2.148 1.00 0.00 N ATOM 330 CA VAL A 21 -4.238 -21.835 1.505 1.00 0.00 C ATOM 331 C VAL A 21 -4.198 -21.611 0.010 1.00 0.00 C ATOM 332 O VAL A 21 -3.113 -21.436 -0.527 1.00 0.00 O ATOM 333 CB VAL A 21 -4.296 -23.350 1.799 1.00 0.00 C ATOM 334 CG1 VAL A 21 -5.324 -24.179 1.026 1.00 0.00 C ATOM 335 CG2 VAL A 21 -2.946 -23.989 1.541 1.00 0.00 C ATOM 0 H VAL A 21 -5.989 -21.606 2.654 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.319 -21.464 1.959 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.605 -23.371 2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.254 -25.223 1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.326 -23.805 1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.126 -24.100 -0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.002 -25.057 1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.666 -23.840 0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.197 -23.530 2.187 1.00 0.00 H new ATOM 345 N ASP A 22 -5.363 -21.539 -0.637 1.00 0.00 N ATOM 346 CA ASP A 22 -5.472 -21.218 -2.065 1.00 0.00 C ATOM 347 C ASP A 22 -4.712 -19.929 -2.426 1.00 0.00 C ATOM 348 O ASP A 22 -3.737 -19.866 -3.182 1.00 0.00 O ATOM 349 CB ASP A 22 -6.972 -21.044 -2.289 1.00 0.00 C ATOM 350 CG ASP A 22 -7.381 -20.810 -3.736 1.00 0.00 C ATOM 351 OD1 ASP A 22 -7.271 -21.760 -4.529 1.00 0.00 O ATOM 352 OD2 ASP A 22 -7.836 -19.680 -4.032 1.00 0.00 O ATOM 0 H ASP A 22 -6.263 -21.702 -0.185 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.033 -21.994 -2.692 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -7.485 -21.932 -1.921 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.319 -20.203 -1.688 1.00 0.00 H new ATOM 357 N ARG A 23 -5.185 -18.887 -1.753 1.00 0.00 N ATOM 358 CA ARG A 23 -4.783 -17.480 -1.885 1.00 0.00 C ATOM 359 C ARG A 23 -3.348 -17.213 -1.427 1.00 0.00 C ATOM 360 O ARG A 23 -2.745 -16.242 -1.876 1.00 0.00 O ATOM 361 CB ARG A 23 -5.757 -16.548 -1.112 1.00 0.00 C ATOM 362 CG ARG A 23 -7.118 -17.120 -0.694 1.00 0.00 C ATOM 363 CD ARG A 23 -7.986 -17.583 -1.859 1.00 0.00 C ATOM 364 NE ARG A 23 -9.004 -16.604 -2.238 1.00 0.00 N ATOM 365 CZ ARG A 23 -9.914 -16.827 -3.172 1.00 0.00 C ATOM 366 NH1 ARG A 23 -9.872 -17.865 -3.959 1.00 0.00 N ATOM 367 NH2 ARG A 23 -10.902 -15.995 -3.347 1.00 0.00 N ATOM 0 H ARG A 23 -5.913 -19.005 -1.048 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.828 -17.259 -2.951 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.248 -16.205 -0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.939 -15.669 -1.730 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.955 -17.961 -0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.661 -16.361 -0.130 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.350 -17.789 -2.720 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.473 -18.521 -1.592 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.013 -15.704 -1.758 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.116 -18.544 -3.868 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.595 -17.998 -4.666 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.978 -15.163 -2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.599 -16.175 -4.070 1.00 0.00 H new ATOM 381 N PHE A 24 -2.813 -18.084 -0.576 1.00 0.00 N ATOM 382 CA PHE A 24 -1.413 -18.136 -0.146 1.00 0.00 C ATOM 383 C PHE A 24 -0.526 -18.853 -1.188 1.00 0.00 C ATOM 384 O PHE A 24 0.450 -18.280 -1.697 1.00 0.00 O ATOM 385 CB PHE A 24 -1.369 -18.837 1.234 1.00 0.00 C ATOM 386 CG PHE A 24 0.007 -18.950 1.866 1.00 0.00 C ATOM 387 CD1 PHE A 24 0.974 -19.780 1.281 1.00 0.00 C ATOM 388 CD2 PHE A 24 0.329 -18.255 3.050 1.00 0.00 C ATOM 389 CE1 PHE A 24 2.299 -19.738 1.721 1.00 0.00 C ATOM 390 CE2 PHE A 24 1.642 -18.310 3.562 1.00 0.00 C ATOM 391 CZ PHE A 24 2.657 -18.964 2.831 1.00 0.00 C ATOM 0 H PHE A 24 -3.375 -18.816 -0.141 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.009 -17.127 -0.058 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.021 -18.294 1.919 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.784 -19.839 1.126 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.693 -20.455 0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.428 -17.682 3.564 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.054 -20.308 1.200 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.871 -17.852 4.513 1.00 0.00 H new ATOM 0 HZ PHE A 24 3.692 -18.869 3.123 1.00 0.00 H new ATOM 401 N TYR A 25 -0.850 -20.111 -1.524 1.00 0.00 N ATOM 402 CA TYR A 25 -0.015 -20.952 -2.387 1.00 0.00 C ATOM 403 C TYR A 25 0.058 -20.439 -3.822 1.00 0.00 C ATOM 404 O TYR A 25 1.091 -20.654 -4.455 1.00 0.00 O ATOM 405 CB TYR A 25 -0.451 -22.420 -2.360 1.00 0.00 C ATOM 406 CG TYR A 25 0.287 -23.267 -1.338 1.00 0.00 C ATOM 407 CD1 TYR A 25 -0.007 -23.153 0.030 1.00 0.00 C ATOM 408 CD2 TYR A 25 1.253 -24.202 -1.760 1.00 0.00 C ATOM 409 CE1 TYR A 25 0.588 -24.026 0.954 1.00 0.00 C ATOM 410 CE2 TYR A 25 1.817 -25.109 -0.837 1.00 0.00 C ATOM 411 CZ TYR A 25 1.469 -25.036 0.525 1.00 0.00 C ATOM 412 OH TYR A 25 1.932 -25.991 1.377 1.00 0.00 O ATOM 0 H TYR A 25 -1.701 -20.572 -1.203 1.00 0.00 H new ATOM 0 HA TYR A 25 0.990 -20.891 -1.970 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.520 -22.467 -2.151 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.301 -22.851 -3.350 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.693 -22.392 0.372 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.563 -24.225 -2.794 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.367 -23.921 2.006 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.516 -25.859 -1.176 1.00 0.00 H new ATOM 0 HH TYR A 25 2.404 -26.683 0.868 1.00 0.00 H new ATOM 422 N LYS A 26 -0.959 -19.694 -4.299 1.00 0.00 N ATOM 423 CA LYS A 26 -0.931 -18.937 -5.568 1.00 0.00 C ATOM 424 C LYS A 26 0.404 -18.204 -5.779 1.00 0.00 C ATOM 425 O LYS A 26 0.871 -18.089 -6.910 1.00 0.00 O ATOM 426 CB LYS A 26 -2.151 -17.979 -5.629 1.00 0.00 C ATOM 427 CG LYS A 26 -2.038 -16.720 -4.753 1.00 0.00 C ATOM 428 CD LYS A 26 -1.351 -15.481 -5.363 1.00 0.00 C ATOM 429 CE LYS A 26 -2.154 -14.787 -6.467 1.00 0.00 C ATOM 430 NZ LYS A 26 -3.411 -14.208 -5.939 1.00 0.00 N ATOM 0 H LYS A 26 -1.844 -19.599 -3.801 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.008 -19.642 -6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.299 -17.670 -6.664 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.042 -18.531 -5.330 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.044 -16.431 -4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.498 -16.990 -3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.155 -14.762 -4.568 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.384 -15.780 -5.768 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.550 -13.999 -6.918 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.385 -15.503 -7.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.847 -13.604 -6.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.067 -14.974 -5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.203 -13.638 -5.094 1.00 0.00 H new ATOM 444 N THR A 27 0.994 -17.727 -4.678 1.00 0.00 N ATOM 445 CA THR A 27 2.233 -16.954 -4.605 1.00 0.00 C ATOM 446 C THR A 27 3.431 -17.815 -4.249 1.00 0.00 C ATOM 447 O THR A 27 4.314 -17.965 -5.089 1.00 0.00 O ATOM 448 CB THR A 27 2.124 -15.802 -3.578 1.00 0.00 C ATOM 449 OG1 THR A 27 0.880 -15.741 -2.897 1.00 0.00 O ATOM 450 CG2 THR A 27 2.256 -14.476 -4.292 1.00 0.00 C ATOM 0 H THR A 27 0.590 -17.882 -3.754 1.00 0.00 H new ATOM 0 HA THR A 27 2.384 -16.541 -5.602 1.00 0.00 H new ATOM 0 HB THR A 27 2.916 -15.995 -2.855 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.764 -16.549 -2.354 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.179 -13.664 -3.569 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.223 -14.427 -4.792 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.461 -14.380 -5.031 1.00 0.00 H new ATOM 458 N LEU A 28 3.437 -18.445 -3.062 1.00 0.00 N ATOM 459 CA LEU A 28 4.582 -19.218 -2.545 1.00 0.00 C ATOM 460 C LEU A 28 5.200 -20.133 -3.611 1.00 0.00 C ATOM 461 O LEU A 28 6.419 -20.169 -3.764 1.00 0.00 O ATOM 462 CB LEU A 28 4.140 -20.006 -1.297 1.00 0.00 C ATOM 463 CG LEU A 28 5.073 -21.193 -0.936 1.00 0.00 C ATOM 464 CD1 LEU A 28 5.639 -21.118 0.472 1.00 0.00 C ATOM 465 CD2 LEU A 28 4.317 -22.497 -1.171 1.00 0.00 C ATOM 0 H LEU A 28 2.639 -18.432 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 28 5.371 -18.521 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.091 -19.324 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.131 -20.386 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 28 5.946 -21.144 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.281 -21.980 0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.221 -20.203 0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.822 -21.117 1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.960 -23.341 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.427 -22.520 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.022 -22.563 -2.218 1.00 0.00 H new ATOM 477 N ARG A 29 4.351 -20.818 -4.381 1.00 0.00 N ATOM 478 CA ARG A 29 4.766 -21.765 -5.435 1.00 0.00 C ATOM 479 C ARG A 29 5.728 -21.206 -6.496 1.00 0.00 C ATOM 480 O ARG A 29 6.404 -21.990 -7.148 1.00 0.00 O ATOM 481 CB ARG A 29 3.523 -22.375 -6.088 1.00 0.00 C ATOM 482 CG ARG A 29 2.757 -21.385 -6.980 1.00 0.00 C ATOM 483 CD ARG A 29 1.442 -21.993 -7.489 1.00 0.00 C ATOM 484 NE ARG A 29 0.810 -21.158 -8.538 1.00 0.00 N ATOM 485 CZ ARG A 29 0.126 -21.614 -9.583 1.00 0.00 C ATOM 486 NH1 ARG A 29 -0.160 -22.869 -9.762 1.00 0.00 N ATOM 487 NH2 ARG A 29 -0.308 -20.832 -10.526 1.00 0.00 N ATOM 0 H ARG A 29 3.338 -20.733 -4.293 1.00 0.00 H new ATOM 0 HA ARG A 29 5.355 -22.529 -4.928 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.821 -23.236 -6.686 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.855 -22.743 -5.309 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.546 -20.475 -6.418 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.380 -21.099 -7.828 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.634 -22.990 -7.887 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.751 -22.110 -6.655 1.00 0.00 H new ATOM 0 HE ARG A 29 0.908 -20.147 -8.451 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.144 -23.564 -9.080 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.689 -23.159 -10.585 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.127 -19.829 -10.480 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.829 -21.221 -11.312 1.00 0.00 H new ATOM 501 N ALA A 30 5.782 -19.886 -6.673 1.00 0.00 N ATOM 502 CA ALA A 30 6.568 -19.185 -7.696 1.00 0.00 C ATOM 503 C ALA A 30 7.509 -18.107 -7.106 1.00 0.00 C ATOM 504 O ALA A 30 8.032 -17.272 -7.840 1.00 0.00 O ATOM 505 CB ALA A 30 5.582 -18.607 -8.720 1.00 0.00 C ATOM 0 H ALA A 30 5.255 -19.244 -6.081 1.00 0.00 H new ATOM 0 HA ALA A 30 7.242 -19.890 -8.182 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.133 -18.078 -9.497 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.008 -19.417 -9.170 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.903 -17.915 -8.221 1.00 0.00 H new ATOM 511 N GLU A 31 7.699 -18.127 -5.783 1.00 0.00 N ATOM 512 CA GLU A 31 8.461 -17.131 -5.009 1.00 0.00 C ATOM 513 C GLU A 31 9.372 -17.848 -3.985 1.00 0.00 C ATOM 514 O GLU A 31 10.590 -17.866 -4.142 1.00 0.00 O ATOM 515 CB GLU A 31 7.439 -16.103 -4.445 1.00 0.00 C ATOM 516 CG GLU A 31 7.509 -15.672 -2.974 1.00 0.00 C ATOM 517 CD GLU A 31 8.843 -15.027 -2.585 1.00 0.00 C ATOM 518 OE1 GLU A 31 9.401 -14.263 -3.402 1.00 0.00 O ATOM 519 OE2 GLU A 31 9.302 -15.336 -1.462 1.00 0.00 O ATOM 0 H GLU A 31 7.312 -18.865 -5.195 1.00 0.00 H new ATOM 0 HA GLU A 31 9.165 -16.555 -5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.521 -15.200 -5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.443 -16.511 -4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.702 -14.967 -2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.338 -16.543 -2.341 1.00 0.00 H new ATOM 526 N GLN A 32 8.793 -18.600 -3.040 1.00 0.00 N ATOM 527 CA GLN A 32 9.516 -19.505 -2.125 1.00 0.00 C ATOM 528 C GLN A 32 9.765 -20.905 -2.732 1.00 0.00 C ATOM 529 O GLN A 32 10.506 -21.707 -2.166 1.00 0.00 O ATOM 530 CB GLN A 32 8.697 -19.661 -0.828 1.00 0.00 C ATOM 531 CG GLN A 32 8.663 -18.418 0.075 1.00 0.00 C ATOM 532 CD GLN A 32 10.050 -18.056 0.615 1.00 0.00 C ATOM 533 OE1 GLN A 32 10.761 -18.874 1.177 1.00 0.00 O ATOM 534 NE2 GLN A 32 10.496 -16.837 0.452 1.00 0.00 N ATOM 0 H GLN A 32 7.785 -18.599 -2.883 1.00 0.00 H new ATOM 0 HA GLN A 32 10.491 -19.059 -1.931 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.674 -19.927 -1.093 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.105 -20.495 -0.257 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.262 -17.574 -0.487 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.985 -18.596 0.910 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.916 -16.140 -0.015 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.424 -16.584 0.792 1.00 0.00 H new ATOM 543 N ALA A 33 9.090 -21.237 -3.837 1.00 0.00 N ATOM 544 CA ALA A 33 9.060 -22.517 -4.562 1.00 0.00 C ATOM 545 C ALA A 33 8.643 -23.782 -3.769 1.00 0.00 C ATOM 546 O ALA A 33 8.188 -24.745 -4.382 1.00 0.00 O ATOM 547 CB ALA A 33 10.393 -22.692 -5.303 1.00 0.00 C ATOM 0 H ALA A 33 8.491 -20.549 -4.294 1.00 0.00 H new ATOM 0 HA ALA A 33 8.228 -22.436 -5.262 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.386 -23.637 -5.846 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.529 -21.871 -6.007 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.212 -22.693 -4.584 1.00 0.00 H new ATOM 553 N SER A 34 8.724 -23.792 -2.431 1.00 0.00 N ATOM 554 CA SER A 34 8.449 -24.931 -1.532 1.00 0.00 C ATOM 555 C SER A 34 6.958 -25.302 -1.386 1.00 0.00 C ATOM 556 O SER A 34 6.427 -25.469 -0.290 1.00 0.00 O ATOM 557 CB SER A 34 9.115 -24.711 -0.164 1.00 0.00 C ATOM 558 OG SER A 34 9.436 -25.973 0.382 1.00 0.00 O ATOM 0 H SER A 34 8.999 -22.958 -1.913 1.00 0.00 H new ATOM 0 HA SER A 34 8.896 -25.799 -2.016 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.014 -24.105 -0.273 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.444 -24.169 0.502 1.00 0.00 H new ATOM 0 HG SER A 34 9.334 -25.944 1.356 1.00 0.00 H new ATOM 564 N GLN A 35 6.244 -25.391 -2.512 1.00 0.00 N ATOM 565 CA GLN A 35 4.885 -25.948 -2.617 1.00 0.00 C ATOM 566 C GLN A 35 4.827 -27.453 -2.256 1.00 0.00 C ATOM 567 O GLN A 35 3.778 -28.028 -1.969 1.00 0.00 O ATOM 568 CB GLN A 35 4.392 -25.688 -4.050 1.00 0.00 C ATOM 569 CG GLN A 35 3.046 -26.340 -4.400 1.00 0.00 C ATOM 570 CD GLN A 35 2.613 -25.966 -5.804 1.00 0.00 C ATOM 571 OE1 GLN A 35 1.881 -25.019 -6.037 1.00 0.00 O ATOM 572 NE2 GLN A 35 3.108 -26.671 -6.793 1.00 0.00 N ATOM 0 H GLN A 35 6.606 -25.067 -3.409 1.00 0.00 H new ATOM 0 HA GLN A 35 4.233 -25.459 -1.893 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.307 -24.612 -4.200 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.146 -26.049 -4.749 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.130 -27.424 -4.317 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.287 -26.024 -3.685 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.720 -27.463 -6.598 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.881 -26.427 -7.757 1.00 0.00 H new ATOM 581 N GLU A 36 5.996 -28.073 -2.303 1.00 0.00 N ATOM 582 CA GLU A 36 6.342 -29.425 -1.897 1.00 0.00 C ATOM 583 C GLU A 36 6.033 -29.745 -0.417 1.00 0.00 C ATOM 584 O GLU A 36 5.738 -28.865 0.387 1.00 0.00 O ATOM 585 CB GLU A 36 7.847 -29.492 -2.186 1.00 0.00 C ATOM 586 CG GLU A 36 8.389 -30.904 -2.348 1.00 0.00 C ATOM 587 CD GLU A 36 9.896 -30.888 -2.640 1.00 0.00 C ATOM 588 OE1 GLU A 36 10.453 -29.829 -3.003 1.00 0.00 O ATOM 589 OE2 GLU A 36 10.591 -31.879 -2.340 1.00 0.00 O ATOM 0 H GLU A 36 6.815 -27.586 -2.667 1.00 0.00 H new ATOM 0 HA GLU A 36 5.749 -30.167 -2.432 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.056 -28.928 -3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.384 -29.000 -1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.197 -31.477 -1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.864 -31.408 -3.159 1.00 0.00 H new ATOM 596 N VAL A 37 6.183 -31.017 -0.021 1.00 0.00 N ATOM 597 CA VAL A 37 6.155 -31.476 1.392 1.00 0.00 C ATOM 598 C VAL A 37 7.067 -30.659 2.318 1.00 0.00 C ATOM 599 O VAL A 37 6.756 -30.445 3.489 1.00 0.00 O ATOM 600 CB VAL A 37 6.493 -32.976 1.475 1.00 0.00 C ATOM 601 CG1 VAL A 37 7.974 -33.317 1.252 1.00 0.00 C ATOM 602 CG2 VAL A 37 6.048 -33.566 2.813 1.00 0.00 C ATOM 0 H VAL A 37 6.331 -31.779 -0.682 1.00 0.00 H new ATOM 0 HA VAL A 37 5.139 -31.314 1.751 1.00 0.00 H new ATOM 0 HB VAL A 37 5.939 -33.423 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.115 -34.395 1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.279 -32.981 0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.580 -32.817 2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.299 -34.626 2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.557 -33.048 3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.970 -33.445 2.924 1.00 0.00 H new ATOM 612 N LYS A 38 8.162 -30.140 1.747 1.00 0.00 N ATOM 613 CA LYS A 38 9.068 -29.120 2.326 1.00 0.00 C ATOM 614 C LYS A 38 8.387 -27.771 2.655 1.00 0.00 C ATOM 615 O LYS A 38 9.067 -26.801 2.989 1.00 0.00 O ATOM 616 CB LYS A 38 10.303 -28.970 1.418 1.00 0.00 C ATOM 617 CG LYS A 38 11.361 -30.054 1.708 1.00 0.00 C ATOM 618 CD LYS A 38 11.969 -30.682 0.450 1.00 0.00 C ATOM 619 CE LYS A 38 12.522 -29.659 -0.553 1.00 0.00 C ATOM 620 NZ LYS A 38 12.830 -30.306 -1.850 1.00 0.00 N ATOM 0 H LYS A 38 8.462 -30.432 0.817 1.00 0.00 H new ATOM 0 HA LYS A 38 9.387 -29.479 3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.996 -29.031 0.374 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.744 -27.984 1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 38 12.160 -29.616 2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.906 -30.840 2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.772 -31.357 0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.210 -31.287 -0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.795 -28.861 -0.703 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.423 -29.197 -0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.820 -30.118 -2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.682 -31.332 -1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.204 -29.923 -2.587 1.00 0.00 H new ATOM 634 N ASN A 39 7.054 -27.704 2.597 1.00 0.00 N ATOM 635 CA ASN A 39 6.190 -26.643 3.110 1.00 0.00 C ATOM 636 C ASN A 39 6.601 -26.237 4.545 1.00 0.00 C ATOM 637 O ASN A 39 6.666 -25.049 4.840 1.00 0.00 O ATOM 638 CB ASN A 39 4.737 -27.170 2.988 1.00 0.00 C ATOM 639 CG ASN A 39 3.807 -26.734 4.079 1.00 0.00 C ATOM 640 OD1 ASN A 39 3.631 -27.443 5.050 1.00 0.00 O ATOM 641 ND2 ASN A 39 3.167 -25.606 3.923 1.00 0.00 N ATOM 0 H ASN A 39 6.512 -28.447 2.156 1.00 0.00 H new ATOM 0 HA ASN A 39 6.282 -25.720 2.538 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.328 -26.844 2.032 1.00 0.00 H new ATOM 0 HB3 ASN A 39 4.763 -28.260 2.968 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.497 -25.298 4.628 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.337 -25.033 3.096 1.00 0.00 H new ATOM 648 N ALA A 40 6.989 -27.201 5.391 1.00 0.00 N ATOM 649 CA ALA A 40 7.575 -27.026 6.731 1.00 0.00 C ATOM 650 C ALA A 40 8.948 -26.290 6.782 1.00 0.00 C ATOM 651 O ALA A 40 9.784 -26.588 7.630 1.00 0.00 O ATOM 652 CB ALA A 40 7.632 -28.417 7.380 1.00 0.00 C ATOM 0 H ALA A 40 6.897 -28.186 5.144 1.00 0.00 H new ATOM 0 HA ALA A 40 6.934 -26.345 7.291 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.061 -28.335 8.379 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.625 -28.827 7.451 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.251 -29.077 6.772 1.00 0.00 H new ATOM 658 N MET A 41 9.210 -25.348 5.871 1.00 0.00 N ATOM 659 CA MET A 41 10.390 -24.476 5.843 1.00 0.00 C ATOM 660 C MET A 41 10.026 -22.986 5.719 1.00 0.00 C ATOM 661 O MET A 41 10.923 -22.147 5.668 1.00 0.00 O ATOM 662 CB MET A 41 11.315 -24.889 4.688 1.00 0.00 C ATOM 663 CG MET A 41 11.807 -26.335 4.819 1.00 0.00 C ATOM 664 SD MET A 41 13.049 -26.843 3.592 1.00 0.00 S ATOM 665 CE MET A 41 14.448 -25.788 4.071 1.00 0.00 C ATOM 0 H MET A 41 8.574 -25.163 5.095 1.00 0.00 H new ATOM 0 HA MET A 41 10.904 -24.599 6.796 1.00 0.00 H new ATOM 0 HB2 MET A 41 10.785 -24.773 3.743 1.00 0.00 H new ATOM 0 HB3 MET A 41 12.173 -24.218 4.656 1.00 0.00 H new ATOM 0 HG2 MET A 41 12.227 -26.470 5.816 1.00 0.00 H new ATOM 0 HG3 MET A 41 10.949 -27.003 4.742 1.00 0.00 H new ATOM 0 HE1 MET A 41 15.360 -26.157 3.601 1.00 0.00 H new ATOM 0 HE2 MET A 41 14.261 -24.765 3.745 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.564 -25.808 5.155 1.00 0.00 H new ATOM 675 N THR A 42 8.734 -22.643 5.657 1.00 0.00 N ATOM 676 CA THR A 42 8.248 -21.279 5.395 1.00 0.00 C ATOM 677 C THR A 42 7.005 -20.910 6.211 1.00 0.00 C ATOM 678 O THR A 42 6.384 -21.732 6.874 1.00 0.00 O ATOM 679 CB THR A 42 7.992 -21.067 3.882 1.00 0.00 C ATOM 680 OG1 THR A 42 7.709 -22.251 3.169 1.00 0.00 O ATOM 681 CG2 THR A 42 9.243 -20.541 3.209 1.00 0.00 C ATOM 0 H THR A 42 7.981 -23.318 5.790 1.00 0.00 H new ATOM 0 HA THR A 42 9.041 -20.606 5.721 1.00 0.00 H new ATOM 0 HB THR A 42 7.139 -20.389 3.853 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.871 -22.104 2.214 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.051 -20.396 2.146 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.526 -19.590 3.660 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.054 -21.258 3.336 1.00 0.00 H new ATOM 689 N GLU A 43 6.621 -19.634 6.155 1.00 0.00 N ATOM 690 CA GLU A 43 5.429 -19.043 6.792 1.00 0.00 C ATOM 691 C GLU A 43 4.080 -19.604 6.331 1.00 0.00 C ATOM 692 O GLU A 43 3.052 -19.246 6.882 1.00 0.00 O ATOM 693 CB GLU A 43 5.452 -17.527 6.594 1.00 0.00 C ATOM 694 CG GLU A 43 5.816 -17.059 5.183 1.00 0.00 C ATOM 695 CD GLU A 43 6.045 -15.554 5.317 1.00 0.00 C ATOM 696 OE1 GLU A 43 5.050 -14.813 5.458 1.00 0.00 O ATOM 697 OE2 GLU A 43 7.198 -15.140 5.580 1.00 0.00 O ATOM 0 H GLU A 43 7.160 -18.941 5.636 1.00 0.00 H new ATOM 0 HA GLU A 43 5.499 -19.317 7.845 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.470 -17.128 6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.164 -17.096 7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.710 -17.564 4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.016 -17.276 4.476 1.00 0.00 H new ATOM 704 N THR A 44 4.094 -20.456 5.316 1.00 0.00 N ATOM 705 CA THR A 44 3.013 -21.331 4.807 1.00 0.00 C ATOM 706 C THR A 44 2.289 -22.197 5.838 1.00 0.00 C ATOM 707 O THR A 44 2.263 -23.421 5.737 1.00 0.00 O ATOM 708 CB THR A 44 3.524 -22.149 3.623 1.00 0.00 C ATOM 709 OG1 THR A 44 2.525 -22.974 3.079 1.00 0.00 O ATOM 710 CG2 THR A 44 4.743 -22.984 3.959 1.00 0.00 C ATOM 0 H THR A 44 4.943 -20.574 4.763 1.00 0.00 H new ATOM 0 HA THR A 44 2.226 -20.650 4.484 1.00 0.00 H new ATOM 0 HB THR A 44 3.819 -21.412 2.877 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.376 -22.733 2.141 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.057 -23.541 3.076 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.553 -22.331 4.283 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.497 -23.681 4.760 1.00 0.00 H new ATOM 718 N LEU A 45 1.599 -21.529 6.760 1.00 0.00 N ATOM 719 CA LEU A 45 0.779 -22.028 7.873 1.00 0.00 C ATOM 720 C LEU A 45 -0.241 -23.157 7.580 1.00 0.00 C ATOM 721 O LEU A 45 -0.932 -23.588 8.497 1.00 0.00 O ATOM 722 CB LEU A 45 0.032 -20.862 8.578 1.00 0.00 C ATOM 723 CG LEU A 45 0.179 -19.384 8.168 1.00 0.00 C ATOM 724 CD1 LEU A 45 -0.250 -19.009 6.741 1.00 0.00 C ATOM 725 CD2 LEU A 45 -0.769 -18.596 9.072 1.00 0.00 C ATOM 0 H LEU A 45 1.598 -20.509 6.748 1.00 0.00 H new ATOM 0 HA LEU A 45 1.530 -22.495 8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.031 -21.094 8.511 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.305 -20.916 9.632 1.00 0.00 H new ATOM 0 HG LEU A 45 1.245 -19.170 8.244 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.095 -17.942 6.583 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.345 -19.572 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.305 -19.247 6.604 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.708 -17.536 8.827 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.790 -18.945 8.921 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.485 -18.744 10.114 1.00 0.00 H new ATOM 737 N LEU A 46 -0.396 -23.578 6.329 1.00 0.00 N ATOM 738 CA LEU A 46 -1.419 -24.459 5.783 1.00 0.00 C ATOM 739 C LEU A 46 -0.887 -25.203 4.549 1.00 0.00 C ATOM 740 O LEU A 46 0.211 -24.908 4.078 1.00 0.00 O ATOM 741 CB LEU A 46 -2.724 -23.677 5.516 1.00 0.00 C ATOM 742 CG LEU A 46 -2.684 -22.248 4.915 1.00 0.00 C ATOM 743 CD1 LEU A 46 -3.098 -21.228 5.965 1.00 0.00 C ATOM 744 CD2 LEU A 46 -1.404 -21.741 4.228 1.00 0.00 C ATOM 0 H LEU A 46 0.256 -23.281 5.603 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.668 -25.225 6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.333 -24.288 4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.258 -23.611 6.464 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.385 -22.351 4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.067 -20.228 5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.111 -21.445 6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.413 -21.279 6.812 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.562 -20.724 3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.580 -21.751 4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.162 -22.389 3.385 1.00 0.00 H new ATOM 756 N VAL A 47 -1.635 -26.176 4.012 1.00 0.00 N ATOM 757 CA VAL A 47 -1.206 -27.064 2.919 1.00 0.00 C ATOM 758 C VAL A 47 -2.370 -27.335 1.975 1.00 0.00 C ATOM 759 O VAL A 47 -3.515 -27.489 2.401 1.00 0.00 O ATOM 760 CB VAL A 47 -0.665 -28.405 3.456 1.00 0.00 C ATOM 761 CG1 VAL A 47 -0.043 -29.249 2.339 1.00 0.00 C ATOM 762 CG2 VAL A 47 0.413 -28.160 4.503 1.00 0.00 C ATOM 0 H VAL A 47 -2.582 -26.374 4.334 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.403 -26.558 2.383 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.512 -28.937 3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.327 -30.186 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.797 -29.461 1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.783 -28.701 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.785 -29.116 4.873 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.234 -27.599 4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.007 -27.589 5.331 1.00 0.00 H new ATOM 772 N GLN A 48 -2.057 -27.370 0.679 1.00 0.00 N ATOM 773 CA GLN A 48 -3.002 -27.550 -0.436 1.00 0.00 C ATOM 774 C GLN A 48 -3.845 -28.820 -0.242 1.00 0.00 C ATOM 775 O GLN A 48 -5.066 -28.842 -0.357 1.00 0.00 O ATOM 776 CB GLN A 48 -2.258 -27.708 -1.769 1.00 0.00 C ATOM 777 CG GLN A 48 -1.038 -26.805 -1.969 1.00 0.00 C ATOM 778 CD GLN A 48 0.196 -27.666 -2.251 1.00 0.00 C ATOM 779 OE1 GLN A 48 0.389 -28.130 -3.363 1.00 0.00 O ATOM 780 NE2 GLN A 48 0.994 -28.001 -1.252 1.00 0.00 N ATOM 0 H GLN A 48 -1.094 -27.269 0.358 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.636 -26.664 -0.452 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.936 -28.745 -1.862 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.962 -27.519 -2.580 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.213 -26.119 -2.798 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.874 -26.196 -1.080 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.836 -27.615 -0.321 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.768 -28.645 -1.412 1.00 0.00 H new ATOM 789 N ASN A 49 -3.135 -29.888 0.119 1.00 0.00 N ATOM 790 CA ASN A 49 -3.638 -31.239 0.288 1.00 0.00 C ATOM 791 C ASN A 49 -4.004 -31.510 1.761 1.00 0.00 C ATOM 792 O ASN A 49 -3.868 -32.633 2.237 1.00 0.00 O ATOM 793 CB ASN A 49 -2.565 -32.191 -0.265 1.00 0.00 C ATOM 794 CG ASN A 49 -3.146 -33.514 -0.701 1.00 0.00 C ATOM 795 OD1 ASN A 49 -3.630 -33.653 -1.812 1.00 0.00 O ATOM 796 ND2 ASN A 49 -3.075 -34.496 0.154 1.00 0.00 N ATOM 0 H ASN A 49 -2.135 -29.823 0.311 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.566 -31.395 -0.263 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.065 -31.720 -1.111 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.806 -32.363 0.498 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.431 -35.418 -0.098 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.663 -34.342 1.074 1.00 0.00 H new ATOM 803 N ALA A 50 -4.439 -30.484 2.511 1.00 0.00 N ATOM 804 CA ALA A 50 -4.908 -30.638 3.891 1.00 0.00 C ATOM 805 C ALA A 50 -6.009 -31.710 4.071 1.00 0.00 C ATOM 806 O ALA A 50 -6.191 -32.229 5.169 1.00 0.00 O ATOM 807 CB ALA A 50 -5.355 -29.267 4.401 1.00 0.00 C ATOM 0 H ALA A 50 -4.474 -29.522 2.173 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.077 -31.013 4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.709 -29.358 5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.514 -28.574 4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.161 -28.890 3.772 1.00 0.00 H new ATOM 813 N ASN A 51 -6.709 -32.065 2.991 1.00 0.00 N ATOM 814 CA ASN A 51 -7.645 -33.201 2.908 1.00 0.00 C ATOM 815 C ASN A 51 -8.897 -32.894 3.772 1.00 0.00 C ATOM 816 O ASN A 51 -9.024 -31.751 4.235 1.00 0.00 O ATOM 817 CB ASN A 51 -6.851 -34.469 3.321 1.00 0.00 C ATOM 818 CG ASN A 51 -7.125 -35.694 2.484 1.00 0.00 C ATOM 819 OD1 ASN A 51 -7.182 -35.639 1.268 1.00 0.00 O ATOM 820 ND2 ASN A 51 -7.324 -36.813 3.124 1.00 0.00 N ATOM 0 H ASN A 51 -6.640 -31.552 2.112 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.033 -33.374 1.904 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.786 -34.244 3.271 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.080 -34.700 4.361 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.533 -37.667 2.606 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.271 -36.834 4.142 1.00 0.00 H new ATOM 827 N PRO A 52 -9.899 -33.772 3.991 1.00 0.00 N ATOM 828 CA PRO A 52 -10.869 -33.503 5.055 1.00 0.00 C ATOM 829 C PRO A 52 -10.143 -33.386 6.408 1.00 0.00 C ATOM 830 O PRO A 52 -10.441 -32.469 7.174 1.00 0.00 O ATOM 831 CB PRO A 52 -11.892 -34.645 5.018 1.00 0.00 C ATOM 832 CG PRO A 52 -11.208 -35.745 4.209 1.00 0.00 C ATOM 833 CD PRO A 52 -10.289 -34.972 3.266 1.00 0.00 C ATOM 0 HA PRO A 52 -11.388 -32.555 4.913 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.141 -34.987 6.022 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.824 -34.328 4.549 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.646 -36.425 4.850 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.931 -36.349 3.660 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.417 -35.567 2.995 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.803 -34.719 2.339 1.00 0.00 H new ATOM 841 N ASP A 53 -9.146 -34.245 6.629 1.00 0.00 N ATOM 842 CA ASP A 53 -8.451 -34.494 7.893 1.00 0.00 C ATOM 843 C ASP A 53 -7.795 -33.270 8.527 1.00 0.00 C ATOM 844 O ASP A 53 -8.312 -32.784 9.531 1.00 0.00 O ATOM 845 CB ASP A 53 -7.408 -35.611 7.702 1.00 0.00 C ATOM 846 CG ASP A 53 -7.991 -36.810 6.967 1.00 0.00 C ATOM 847 OD1 ASP A 53 -8.096 -36.685 5.723 1.00 0.00 O ATOM 848 OD2 ASP A 53 -8.377 -37.787 7.634 1.00 0.00 O ATOM 0 H ASP A 53 -8.777 -34.826 5.876 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.227 -34.797 8.596 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.557 -35.222 7.144 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.033 -35.928 8.675 1.00 0.00 H new ATOM 853 N CYS A 54 -6.691 -32.746 7.969 1.00 0.00 N ATOM 854 CA CYS A 54 -5.886 -31.726 8.680 1.00 0.00 C ATOM 855 C CYS A 54 -6.753 -30.527 9.081 1.00 0.00 C ATOM 856 O CYS A 54 -6.912 -30.202 10.253 1.00 0.00 O ATOM 857 CB CYS A 54 -4.625 -31.379 7.858 1.00 0.00 C ATOM 858 SG CYS A 54 -4.219 -29.625 7.639 1.00 0.00 S ATOM 0 H CYS A 54 -6.337 -33.002 7.047 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.518 -32.126 9.625 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.772 -31.864 8.332 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.736 -31.824 6.869 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.989 -29.512 7.235 1.00 0.00 H new ATOM 864 N LYS A 55 -7.466 -29.968 8.115 1.00 0.00 N ATOM 865 CA LYS A 55 -8.461 -28.898 8.329 1.00 0.00 C ATOM 866 C LYS A 55 -9.359 -29.126 9.556 1.00 0.00 C ATOM 867 O LYS A 55 -9.461 -28.260 10.415 1.00 0.00 O ATOM 868 CB LYS A 55 -9.311 -28.840 7.069 1.00 0.00 C ATOM 869 CG LYS A 55 -8.627 -28.017 5.959 1.00 0.00 C ATOM 870 CD LYS A 55 -8.853 -28.490 4.513 1.00 0.00 C ATOM 871 CE LYS A 55 -10.326 -28.617 4.095 1.00 0.00 C ATOM 872 NZ LYS A 55 -10.955 -29.854 4.619 1.00 0.00 N ATOM 0 H LYS A 55 -7.376 -30.242 7.137 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.936 -27.963 8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.498 -29.852 6.709 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.280 -28.400 7.304 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.971 -26.986 6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.554 -28.010 6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.358 -27.793 3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.369 -29.458 4.383 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.880 -27.750 4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.395 -28.610 3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.699 -30.170 3.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.234 -30.598 4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.374 -29.662 5.552 1.00 0.00 H new ATOM 886 N THR A 56 -9.979 -30.302 9.634 1.00 0.00 N ATOM 887 CA THR A 56 -10.917 -30.695 10.698 1.00 0.00 C ATOM 888 C THR A 56 -10.226 -30.906 12.050 1.00 0.00 C ATOM 889 O THR A 56 -10.868 -30.796 13.091 1.00 0.00 O ATOM 890 CB THR A 56 -11.675 -31.969 10.282 1.00 0.00 C ATOM 891 OG1 THR A 56 -12.205 -31.776 8.986 1.00 0.00 O ATOM 892 CG2 THR A 56 -12.860 -32.310 11.182 1.00 0.00 C ATOM 0 H THR A 56 -9.842 -31.035 8.938 1.00 0.00 H new ATOM 0 HA THR A 56 -11.619 -29.872 10.829 1.00 0.00 H new ATOM 0 HB THR A 56 -10.952 -32.782 10.345 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.632 -32.223 8.328 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.340 -33.220 10.822 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.509 -32.464 12.202 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.578 -31.490 11.165 1.00 0.00 H new ATOM 900 N ILE A 57 -8.916 -31.163 12.039 1.00 0.00 N ATOM 901 CA ILE A 57 -8.126 -31.487 13.245 1.00 0.00 C ATOM 902 C ILE A 57 -7.454 -30.242 13.823 1.00 0.00 C ATOM 903 O ILE A 57 -7.735 -29.862 14.958 1.00 0.00 O ATOM 904 CB ILE A 57 -7.082 -32.580 12.940 1.00 0.00 C ATOM 905 CG1 ILE A 57 -7.785 -33.908 12.587 1.00 0.00 C ATOM 906 CG2 ILE A 57 -6.124 -32.800 14.132 1.00 0.00 C ATOM 907 CD1 ILE A 57 -6.874 -34.813 11.755 1.00 0.00 C ATOM 0 H ILE A 57 -8.360 -31.154 11.184 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.815 -31.872 13.997 1.00 0.00 H new ATOM 0 HB ILE A 57 -6.492 -32.242 12.088 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.076 -34.423 13.503 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.701 -33.702 12.033 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.402 -33.577 13.880 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.596 -31.872 14.351 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.697 -33.106 15.007 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.397 -35.741 11.522 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.605 -34.306 10.829 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.970 -35.038 12.321 1.00 0.00 H new ATOM 919 N LEU A 58 -6.590 -29.563 13.057 1.00 0.00 N ATOM 920 CA LEU A 58 -5.917 -28.340 13.488 1.00 0.00 C ATOM 921 C LEU A 58 -6.909 -27.228 13.838 1.00 0.00 C ATOM 922 O LEU A 58 -6.594 -26.382 14.670 1.00 0.00 O ATOM 923 CB LEU A 58 -4.931 -27.862 12.414 1.00 0.00 C ATOM 924 CG LEU A 58 -3.824 -28.881 12.102 1.00 0.00 C ATOM 925 CD1 LEU A 58 -4.208 -29.937 11.083 1.00 0.00 C ATOM 926 CD2 LEU A 58 -2.625 -28.150 11.512 1.00 0.00 C ATOM 0 H LEU A 58 -6.339 -29.854 12.112 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.364 -28.578 14.397 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.481 -27.643 11.499 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.473 -26.929 12.742 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.617 -29.376 13.051 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.367 -30.613 10.925 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.064 -30.503 11.450 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.469 -29.455 10.141 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.835 -28.867 11.288 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.924 -27.642 10.595 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.256 -27.417 12.230 1.00 0.00 H new ATOM 938 N LYS A 59 -8.130 -27.282 13.290 1.00 0.00 N ATOM 939 CA LYS A 59 -9.251 -26.441 13.755 1.00 0.00 C ATOM 940 C LYS A 59 -9.490 -26.440 15.275 1.00 0.00 C ATOM 941 O LYS A 59 -10.036 -25.476 15.804 1.00 0.00 O ATOM 942 CB LYS A 59 -10.540 -26.842 13.042 1.00 0.00 C ATOM 943 CG LYS A 59 -10.779 -25.985 11.790 1.00 0.00 C ATOM 944 CD LYS A 59 -11.632 -24.728 12.048 1.00 0.00 C ATOM 945 CE LYS A 59 -11.079 -23.883 13.202 1.00 0.00 C ATOM 946 NZ LYS A 59 -11.803 -22.613 13.393 1.00 0.00 N ATOM 0 H LYS A 59 -8.372 -27.903 12.518 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.956 -25.422 13.503 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.489 -27.894 12.760 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.383 -26.735 13.724 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.816 -25.681 11.380 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.269 -26.596 11.032 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.669 -24.123 11.142 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.656 -25.025 12.275 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.127 -24.463 14.124 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.027 -23.669 13.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.561 -22.212 14.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.532 -21.943 12.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.827 -22.787 13.347 1.00 0.00 H new ATOM 960 N ALA A 60 -9.091 -27.512 15.953 1.00 0.00 N ATOM 961 CA ALA A 60 -9.043 -27.634 17.414 1.00 0.00 C ATOM 962 C ALA A 60 -7.617 -27.875 17.964 1.00 0.00 C ATOM 963 O ALA A 60 -7.433 -27.960 19.176 1.00 0.00 O ATOM 964 CB ALA A 60 -10.012 -28.747 17.827 1.00 0.00 C ATOM 0 H ALA A 60 -8.777 -28.360 15.481 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.348 -26.685 17.855 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.996 -28.859 18.911 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.021 -28.490 17.503 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -9.709 -29.685 17.361 1.00 0.00 H new ATOM 970 N LEU A 61 -6.598 -27.960 17.097 1.00 0.00 N ATOM 971 CA LEU A 61 -5.224 -28.362 17.423 1.00 0.00 C ATOM 972 C LEU A 61 -4.136 -27.396 16.897 1.00 0.00 C ATOM 973 O LEU A 61 -3.086 -27.822 16.414 1.00 0.00 O ATOM 974 CB LEU A 61 -5.016 -29.831 16.983 1.00 0.00 C ATOM 975 CG LEU A 61 -4.387 -30.695 18.093 1.00 0.00 C ATOM 976 CD1 LEU A 61 -5.352 -30.951 19.254 1.00 0.00 C ATOM 977 CD2 LEU A 61 -3.982 -32.059 17.543 1.00 0.00 C ATOM 0 H LEU A 61 -6.715 -27.741 16.108 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.099 -28.297 18.504 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.975 -30.260 16.693 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.376 -29.856 16.101 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.524 -30.136 18.453 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.859 -31.564 20.008 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.649 -30.000 19.697 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.236 -31.471 18.885 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.540 -32.656 18.340 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.862 -32.570 17.153 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.254 -31.927 16.742 1.00 0.00 H new ATOM 989 N GLY A 62 -4.341 -26.088 17.066 1.00 0.00 N ATOM 990 CA GLY A 62 -3.373 -25.043 16.696 1.00 0.00 C ATOM 991 C GLY A 62 -2.632 -24.357 17.859 1.00 0.00 C ATOM 992 O GLY A 62 -2.609 -23.125 17.864 1.00 0.00 O ATOM 0 H GLY A 62 -5.199 -25.714 17.471 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.631 -25.484 16.030 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.898 -24.277 16.125 1.00 0.00 H new ATOM 996 N PRO A 63 -1.997 -25.062 18.827 1.00 0.00 N ATOM 997 CA PRO A 63 -1.313 -24.455 19.981 1.00 0.00 C ATOM 998 C PRO A 63 0.034 -23.789 19.611 1.00 0.00 C ATOM 999 O PRO A 63 0.998 -23.858 20.363 1.00 0.00 O ATOM 1000 CB PRO A 63 -1.152 -25.613 20.977 1.00 0.00 C ATOM 1001 CG PRO A 63 -0.870 -26.790 20.051 1.00 0.00 C ATOM 1002 CD PRO A 63 -1.814 -26.509 18.884 1.00 0.00 C ATOM 0 HA PRO A 63 -1.886 -23.629 20.401 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.334 -25.439 21.676 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.052 -25.768 21.572 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.173 -26.819 19.734 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.085 -27.746 20.529 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.395 -26.883 17.950 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.769 -27.014 19.029 1.00 0.00 H new ATOM 1010 N ALA A 64 0.128 -23.201 18.415 1.00 0.00 N ATOM 1011 CA ALA A 64 1.290 -22.496 17.855 1.00 0.00 C ATOM 1012 C ALA A 64 2.626 -23.278 17.749 1.00 0.00 C ATOM 1013 O ALA A 64 3.620 -22.671 17.369 1.00 0.00 O ATOM 1014 CB ALA A 64 1.437 -21.145 18.575 1.00 0.00 C ATOM 0 H ALA A 64 -0.659 -23.204 17.766 1.00 0.00 H new ATOM 0 HA ALA A 64 1.065 -22.354 16.798 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.296 -20.609 18.171 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.535 -20.552 18.424 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.585 -21.315 19.641 1.00 0.00 H new ATOM 1020 N ALA A 65 2.646 -24.590 18.022 1.00 0.00 N ATOM 1021 CA ALA A 65 3.820 -25.460 17.835 1.00 0.00 C ATOM 1022 C ALA A 65 3.465 -26.784 17.133 1.00 0.00 C ATOM 1023 O ALA A 65 3.847 -26.973 15.988 1.00 0.00 O ATOM 1024 CB ALA A 65 4.490 -25.677 19.198 1.00 0.00 C ATOM 0 H ALA A 65 1.833 -25.087 18.386 1.00 0.00 H new ATOM 0 HA ALA A 65 4.527 -24.969 17.166 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.362 -26.320 19.077 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.802 -24.716 19.607 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.783 -26.150 19.880 1.00 0.00 H new ATOM 1030 N THR A 66 2.620 -27.659 17.702 1.00 0.00 N ATOM 1031 CA THR A 66 2.281 -28.961 17.064 1.00 0.00 C ATOM 1032 C THR A 66 1.750 -28.861 15.624 1.00 0.00 C ATOM 1033 O THR A 66 1.836 -29.807 14.852 1.00 0.00 O ATOM 1034 CB THR A 66 1.254 -29.771 17.874 1.00 0.00 C ATOM 1035 OG1 THR A 66 1.265 -29.442 19.249 1.00 0.00 O ATOM 1036 CG2 THR A 66 1.517 -31.270 17.751 1.00 0.00 C ATOM 0 H THR A 66 2.157 -27.499 18.597 1.00 0.00 H new ATOM 0 HA THR A 66 3.245 -29.468 17.041 1.00 0.00 H new ATOM 0 HB THR A 66 0.281 -29.515 17.454 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.595 -29.981 19.720 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.776 -31.818 18.333 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.448 -31.567 16.704 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.515 -31.496 18.127 1.00 0.00 H new ATOM 1044 N LEU A 67 1.222 -27.698 15.237 1.00 0.00 N ATOM 1045 CA LEU A 67 0.864 -27.374 13.854 1.00 0.00 C ATOM 1046 C LEU A 67 1.946 -27.791 12.852 1.00 0.00 C ATOM 1047 O LEU A 67 1.624 -28.402 11.844 1.00 0.00 O ATOM 1048 CB LEU A 67 0.624 -25.866 13.796 1.00 0.00 C ATOM 1049 CG LEU A 67 -0.080 -25.256 12.556 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.343 -23.791 12.439 1.00 0.00 C ATOM 1051 CD2 LEU A 67 0.233 -25.963 11.249 1.00 0.00 C ATOM 0 H LEU A 67 1.027 -26.939 15.890 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.029 -27.930 13.570 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.037 -25.594 14.673 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.593 -25.376 13.897 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.153 -25.369 12.714 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.141 -23.341 11.572 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.047 -23.254 13.340 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.425 -23.733 12.321 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.299 -25.473 10.434 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.306 -25.920 11.060 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.082 -27.004 11.314 1.00 0.00 H new ATOM 1063 N GLU A 68 3.206 -27.475 13.118 1.00 0.00 N ATOM 1064 CA GLU A 68 4.319 -27.720 12.194 1.00 0.00 C ATOM 1065 C GLU A 68 4.351 -29.147 11.636 1.00 0.00 C ATOM 1066 O GLU A 68 4.639 -29.324 10.451 1.00 0.00 O ATOM 1067 CB GLU A 68 5.655 -27.448 12.916 1.00 0.00 C ATOM 1068 CG GLU A 68 5.741 -26.043 13.507 1.00 0.00 C ATOM 1069 CD GLU A 68 6.988 -25.852 14.396 1.00 0.00 C ATOM 1070 OE1 GLU A 68 8.108 -25.820 13.832 1.00 0.00 O ATOM 1071 OE2 GLU A 68 6.802 -25.734 15.630 1.00 0.00 O ATOM 0 H GLU A 68 3.494 -27.035 13.992 1.00 0.00 H new ATOM 0 HA GLU A 68 4.172 -27.045 11.351 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.786 -28.180 13.713 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.476 -27.591 12.214 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.760 -25.312 12.698 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.845 -25.844 14.095 1.00 0.00 H new ATOM 1078 N GLU A 69 3.999 -30.145 12.460 1.00 0.00 N ATOM 1079 CA GLU A 69 3.767 -31.506 11.936 1.00 0.00 C ATOM 1080 C GLU A 69 2.393 -31.663 11.267 1.00 0.00 C ATOM 1081 O GLU A 69 2.267 -32.279 10.206 1.00 0.00 O ATOM 1082 CB GLU A 69 3.948 -32.593 13.014 1.00 0.00 C ATOM 1083 CG GLU A 69 2.841 -32.731 14.076 1.00 0.00 C ATOM 1084 CD GLU A 69 2.862 -34.119 14.730 1.00 0.00 C ATOM 1085 OE1 GLU A 69 2.261 -35.034 14.119 1.00 0.00 O ATOM 1086 OE2 GLU A 69 3.437 -34.248 15.836 1.00 0.00 O ATOM 0 H GLU A 69 3.870 -30.045 13.467 1.00 0.00 H new ATOM 0 HA GLU A 69 4.532 -31.647 11.172 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.052 -33.554 12.509 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.888 -32.401 13.531 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.971 -31.965 14.841 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.869 -32.559 13.614 1.00 0.00 H new ATOM 1093 N MET A 70 1.351 -31.088 11.876 1.00 0.00 N ATOM 1094 CA MET A 70 -0.048 -31.327 11.526 1.00 0.00 C ATOM 1095 C MET A 70 -0.402 -30.831 10.129 1.00 0.00 C ATOM 1096 O MET A 70 -1.246 -31.410 9.442 1.00 0.00 O ATOM 1097 CB MET A 70 -0.930 -30.630 12.539 1.00 0.00 C ATOM 1098 CG MET A 70 -0.817 -31.108 13.961 1.00 0.00 C ATOM 1099 SD MET A 70 -1.936 -32.474 14.374 1.00 0.00 S ATOM 1100 CE MET A 70 -0.785 -33.874 14.254 1.00 0.00 C ATOM 0 H MET A 70 1.463 -30.427 12.645 1.00 0.00 H new ATOM 0 HA MET A 70 -0.209 -32.405 11.535 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.701 -29.565 12.517 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.967 -30.740 12.223 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.209 -31.425 14.146 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.018 -30.272 14.631 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.310 -34.798 14.497 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.392 -33.936 13.239 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.038 -33.729 14.954 1.00 0.00 H new ATOM 1110 N MET A 71 0.294 -29.764 9.736 1.00 0.00 N ATOM 1111 CA MET A 71 0.218 -29.029 8.478 1.00 0.00 C ATOM 1112 C MET A 71 0.122 -30.010 7.307 1.00 0.00 C ATOM 1113 O MET A 71 -0.860 -30.000 6.563 1.00 0.00 O ATOM 1114 CB MET A 71 1.474 -28.123 8.428 1.00 0.00 C ATOM 1115 CG MET A 71 1.422 -26.929 7.468 1.00 0.00 C ATOM 1116 SD MET A 71 2.278 -25.468 8.127 1.00 0.00 S ATOM 1117 CE MET A 71 3.994 -26.054 8.180 1.00 0.00 C ATOM 0 H MET A 71 0.994 -29.354 10.354 1.00 0.00 H new ATOM 0 HA MET A 71 -0.673 -28.405 8.406 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.661 -27.744 9.433 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.329 -28.741 8.156 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.873 -27.212 6.517 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.382 -26.676 7.265 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.337 -26.083 9.214 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.050 -27.054 7.751 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.628 -25.377 7.607 1.00 0.00 H new ATOM 1127 N THR A 72 1.124 -30.891 7.223 1.00 0.00 N ATOM 1128 CA THR A 72 1.368 -31.909 6.212 1.00 0.00 C ATOM 1129 C THR A 72 1.088 -33.330 6.687 1.00 0.00 C ATOM 1130 O THR A 72 0.850 -34.160 5.816 1.00 0.00 O ATOM 1131 CB THR A 72 2.852 -31.903 5.802 1.00 0.00 C ATOM 1132 OG1 THR A 72 3.697 -31.333 6.778 1.00 0.00 O ATOM 1133 CG2 THR A 72 3.134 -31.166 4.494 1.00 0.00 C ATOM 0 H THR A 72 1.854 -30.905 7.936 1.00 0.00 H new ATOM 0 HA THR A 72 0.692 -31.656 5.395 1.00 0.00 H new ATOM 0 HB THR A 72 3.069 -32.964 5.680 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.625 -31.359 6.463 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.201 -31.207 4.276 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.579 -31.638 3.683 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.823 -30.126 4.588 1.00 0.00 H new ATOM 1141 N ALA A 73 1.103 -33.667 7.986 1.00 0.00 N ATOM 1142 CA ALA A 73 0.984 -35.064 8.450 1.00 0.00 C ATOM 1143 C ALA A 73 -0.233 -35.801 7.866 1.00 0.00 C ATOM 1144 O ALA A 73 -0.184 -37.004 7.610 1.00 0.00 O ATOM 1145 CB ALA A 73 0.949 -35.100 9.983 1.00 0.00 C ATOM 0 H ALA A 73 1.197 -32.988 8.741 1.00 0.00 H new ATOM 0 HA ALA A 73 1.863 -35.595 8.084 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.861 -36.133 10.321 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.867 -34.666 10.378 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.094 -34.527 10.341 1.00 0.00 H new ATOM 1151 N CYS A 74 -1.295 -35.052 7.553 1.00 0.00 N ATOM 1152 CA CYS A 74 -2.489 -35.564 6.867 1.00 0.00 C ATOM 1153 C CYS A 74 -2.216 -36.265 5.511 1.00 0.00 C ATOM 1154 O CYS A 74 -2.988 -37.137 5.101 1.00 0.00 O ATOM 1155 CB CYS A 74 -3.486 -34.410 6.707 1.00 0.00 C ATOM 1156 SG CYS A 74 -2.843 -33.226 5.490 1.00 0.00 S ATOM 0 H CYS A 74 -1.352 -34.057 7.772 1.00 0.00 H new ATOM 0 HA CYS A 74 -2.902 -36.356 7.492 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.454 -34.793 6.383 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.644 -33.915 7.665 1.00 0.00 H new ATOM 0 HG CYS A 74 -3.530 -33.318 4.390 1.00 0.00 H new ATOM 1162 N GLN A 75 -1.105 -35.948 4.827 1.00 0.00 N ATOM 1163 CA GLN A 75 -0.678 -36.591 3.582 1.00 0.00 C ATOM 1164 C GLN A 75 -0.188 -38.039 3.806 1.00 0.00 C ATOM 1165 O GLN A 75 0.142 -38.737 2.850 1.00 0.00 O ATOM 1166 CB GLN A 75 0.350 -35.684 2.874 1.00 0.00 C ATOM 1167 CG GLN A 75 1.789 -35.760 3.419 1.00 0.00 C ATOM 1168 CD GLN A 75 2.812 -36.347 2.431 1.00 0.00 C ATOM 1169 OE1 GLN A 75 3.789 -35.719 2.055 1.00 0.00 O ATOM 1170 NE2 GLN A 75 2.626 -37.556 1.950 1.00 0.00 N ATOM 0 H GLN A 75 -0.464 -35.217 5.136 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.535 -36.702 2.918 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.367 -35.942 1.815 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.007 -34.652 2.945 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.110 -34.758 3.703 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.790 -36.365 4.326 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.818 -38.104 2.246 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.289 -37.946 1.281 1.00 0.00 H new