USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 651 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 57 GLN : amide:sc= 0.357 K(o=0.043,f=0.94) USER MOD Set 1.2: A 62 CYS SG : rot 120:sc= -0.315 USER MOD Set 2.1: A 10 HIS : no HD1:sc= -8.3! C(o=-8.1!,f=-8!) USER MOD Set 2.2: A 33 SER OG : rot 173:sc= 0.217 USER MOD Set 2.3: A 34 LYS NZ :NH3+ -121:sc= -0.0578 (180deg=-0.34) USER MOD Set 3.1: A 30 CYS SG : rot -164:sc= -0.959 USER MOD Set 3.2: A 79 CYS SG : rot 99:sc= 0.435 USER MOD Set 4.1: A 18 GLN : amide:sc= -1.46! C(o=-1.5!,f=-3.7!) USER MOD Set 4.2: A 20 SER OG : rot 170:sc= 0 USER MOD Set 5.1: A 17 HIS : no HD1:sc= -0.764 X(o=-0.76,f=-1.1) USER MOD Set 5.2: A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -16:sc= 0.61 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.077 X(o=-0.077,f=0) USER MOD Single : A 54 SER OG : rot 170:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0271 X(o=-0.027,f=-0.32) USER MOD Single : A 67 CYS SG : rot 157:sc= -1.88 USER MOD Single : A 77 TYR OH : rot -16:sc= 0.0374 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 26:sc= -1.66 USER MOD Single : A 86 THR OG1 : rot -93:sc= -1.26 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= -0.0103 (180deg=-0.0103) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 0.835 20.390 0.124 1.00 0.00 N ATOM 67 CA PRO A 8 0.659 19.227 1.000 1.00 0.00 C ATOM 68 C PRO A 8 1.979 18.531 1.311 1.00 0.00 C ATOM 69 O PRO A 8 3.049 19.014 0.940 1.00 0.00 O ATOM 70 CB PRO A 8 -0.253 18.305 0.187 1.00 0.00 C ATOM 71 CG PRO A 8 -0.008 18.685 -1.233 1.00 0.00 C ATOM 72 CD PRO A 8 0.283 20.160 -1.223 1.00 0.00 C ATOM 0 HA PRO A 8 0.249 19.506 1.971 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.014 17.256 0.363 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.299 18.443 0.459 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.830 18.125 -1.648 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.877 18.463 -1.852 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.995 20.434 -2.001 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.618 20.749 -1.394 1.00 0.00 H new ATOM 80 N ALA A 9 1.897 17.394 1.993 1.00 0.00 N ATOM 81 CA ALA A 9 3.085 16.630 2.352 1.00 0.00 C ATOM 82 C ALA A 9 3.693 15.953 1.128 1.00 0.00 C ATOM 83 O ALA A 9 3.037 15.155 0.457 1.00 0.00 O ATOM 84 CB ALA A 9 2.747 15.596 3.416 1.00 0.00 C ATOM 0 H ALA A 9 1.019 16.981 2.308 1.00 0.00 H new ATOM 0 HA ALA A 9 3.823 17.323 2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.644 15.033 3.674 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.366 16.099 4.305 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.988 14.914 3.032 1.00 0.00 H new ATOM 90 N HIS A 10 4.950 16.277 0.841 1.00 0.00 N ATOM 91 CA HIS A 10 5.646 15.699 -0.304 1.00 0.00 C ATOM 92 C HIS A 10 6.252 14.346 0.055 1.00 0.00 C ATOM 93 O HIS A 10 7.054 14.240 0.983 1.00 0.00 O ATOM 94 CB HIS A 10 6.740 16.648 -0.793 1.00 0.00 C ATOM 95 CG HIS A 10 7.730 17.019 0.268 1.00 0.00 C ATOM 96 ND1 HIS A 10 7.593 18.134 1.068 1.00 0.00 N ATOM 97 CD2 HIS A 10 8.876 16.415 0.660 1.00 0.00 C ATOM 98 CE1 HIS A 10 8.613 18.200 1.905 1.00 0.00 C ATOM 99 NE2 HIS A 10 9.406 17.169 1.678 1.00 0.00 N ATOM 0 H HIS A 10 5.507 16.936 1.385 1.00 0.00 H new ATOM 0 HA HIS A 10 4.920 15.551 -1.103 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.269 16.182 -1.625 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.276 17.556 -1.179 1.00 0.00 H new ATOM 0 HD2 HIS A 10 9.296 15.509 0.249 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.771 18.967 2.649 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.272 16.966 2.178 1.00 0.00 H new ATOM 108 N PHE A 11 5.863 13.314 -0.685 1.00 0.00 N ATOM 109 CA PHE A 11 6.367 11.966 -0.444 1.00 0.00 C ATOM 110 C PHE A 11 7.892 11.956 -0.402 1.00 0.00 C ATOM 111 O PHE A 11 8.553 12.148 -1.423 1.00 0.00 O ATOM 112 CB PHE A 11 5.868 11.010 -1.529 1.00 0.00 C ATOM 113 CG PHE A 11 4.454 10.550 -1.320 1.00 0.00 C ATOM 114 CD1 PHE A 11 4.157 9.597 -0.359 1.00 0.00 C ATOM 115 CD2 PHE A 11 3.422 11.070 -2.084 1.00 0.00 C ATOM 116 CE1 PHE A 11 2.856 9.172 -0.163 1.00 0.00 C ATOM 117 CE2 PHE A 11 2.120 10.649 -1.893 1.00 0.00 C ATOM 118 CZ PHE A 11 1.837 9.698 -0.932 1.00 0.00 C ATOM 0 H PHE A 11 5.200 13.384 -1.457 1.00 0.00 H new ATOM 0 HA PHE A 11 5.992 11.632 0.524 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.941 11.503 -2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.523 10.140 -1.564 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.951 9.181 0.244 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.638 11.813 -2.838 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.637 8.430 0.590 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.324 11.063 -2.494 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.820 9.366 -0.782 1.00 0.00 H new ATOM 128 N ILE A 12 8.444 11.729 0.786 1.00 0.00 N ATOM 129 CA ILE A 12 9.890 11.693 0.961 1.00 0.00 C ATOM 130 C ILE A 12 10.417 10.264 0.888 1.00 0.00 C ATOM 131 O ILE A 12 11.549 10.029 0.468 1.00 0.00 O ATOM 132 CB ILE A 12 10.310 12.315 2.306 1.00 0.00 C ATOM 133 CG1 ILE A 12 9.584 11.623 3.462 1.00 0.00 C ATOM 134 CG2 ILE A 12 10.022 13.809 2.311 1.00 0.00 C ATOM 135 CD1 ILE A 12 10.142 11.976 4.823 1.00 0.00 C ATOM 0 H ILE A 12 7.911 11.567 1.641 1.00 0.00 H new ATOM 0 HA ILE A 12 10.321 12.279 0.149 1.00 0.00 H new ATOM 0 HB ILE A 12 11.382 12.171 2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.528 11.892 3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.642 10.543 3.323 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.324 14.235 3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 12 10.580 14.290 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.955 13.974 2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.580 11.450 5.594 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.190 11.682 4.874 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.059 13.051 4.983 1.00 0.00 H new ATOM 147 N GLY A 13 9.586 9.311 1.300 1.00 0.00 N ATOM 148 CA GLY A 13 9.985 7.916 1.272 1.00 0.00 C ATOM 149 C GLY A 13 9.061 7.066 0.423 1.00 0.00 C ATOM 150 O GLY A 13 8.314 6.238 0.944 1.00 0.00 O ATOM 0 H GLY A 13 8.644 9.480 1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.001 7.840 0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.001 7.525 2.289 1.00 0.00 H new ATOM 154 N ARG A 14 9.111 7.270 -0.889 1.00 0.00 N ATOM 155 CA ARG A 14 8.271 6.518 -1.813 1.00 0.00 C ATOM 156 C ARG A 14 8.131 5.067 -1.361 1.00 0.00 C ATOM 157 O ARG A 14 8.997 4.536 -0.665 1.00 0.00 O ATOM 158 CB ARG A 14 8.855 6.570 -3.226 1.00 0.00 C ATOM 159 CG ARG A 14 8.933 7.974 -3.801 1.00 0.00 C ATOM 160 CD ARG A 14 8.936 7.954 -5.322 1.00 0.00 C ATOM 161 NE ARG A 14 10.259 7.654 -5.863 1.00 0.00 N ATOM 162 CZ ARG A 14 11.255 8.531 -5.896 1.00 0.00 C ATOM 163 NH1 ARG A 14 11.080 9.757 -5.421 1.00 0.00 N ATOM 164 NH2 ARG A 14 12.431 8.183 -6.404 1.00 0.00 N ATOM 0 H ARG A 14 9.725 7.951 -1.336 1.00 0.00 H new ATOM 0 HA ARG A 14 7.282 6.976 -1.820 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.855 6.136 -3.213 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.247 5.950 -3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.086 8.561 -3.445 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.836 8.466 -3.441 1.00 0.00 H new ATOM 0 HD2 ARG A 14 8.222 7.210 -5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.601 8.921 -5.698 1.00 0.00 H new ATOM 0 HE ARG A 14 10.427 6.720 -6.236 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.178 10.028 -5.029 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.847 10.429 -5.448 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.570 7.241 -6.770 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.196 8.858 -6.429 1.00 0.00 H new ATOM 178 N LEU A 15 7.035 4.432 -1.762 1.00 0.00 N ATOM 179 CA LEU A 15 6.781 3.042 -1.398 1.00 0.00 C ATOM 180 C LEU A 15 7.943 2.148 -1.819 1.00 0.00 C ATOM 181 O LEU A 15 8.964 2.630 -2.310 1.00 0.00 O ATOM 182 CB LEU A 15 5.485 2.553 -2.048 1.00 0.00 C ATOM 183 CG LEU A 15 4.193 3.184 -1.528 1.00 0.00 C ATOM 184 CD1 LEU A 15 3.119 3.165 -2.604 1.00 0.00 C ATOM 185 CD2 LEU A 15 3.712 2.460 -0.278 1.00 0.00 C ATOM 0 H LEU A 15 6.309 4.857 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 15 6.680 2.988 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.549 2.736 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.419 1.474 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 15 4.397 4.222 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.207 3.618 -2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.463 3.728 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.916 2.135 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.792 2.922 0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.524 1.412 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.475 2.526 0.497 1.00 0.00 H new ATOM 197 N ARG A 16 7.779 0.843 -1.624 1.00 0.00 N ATOM 198 CA ARG A 16 8.814 -0.118 -1.984 1.00 0.00 C ATOM 199 C ARG A 16 8.197 -1.446 -2.415 1.00 0.00 C ATOM 200 O ARG A 16 7.501 -2.100 -1.638 1.00 0.00 O ATOM 201 CB ARG A 16 9.763 -0.344 -0.805 1.00 0.00 C ATOM 202 CG ARG A 16 9.049 -0.648 0.501 1.00 0.00 C ATOM 203 CD ARG A 16 8.449 0.608 1.114 1.00 0.00 C ATOM 204 NE ARG A 16 8.306 0.495 2.563 1.00 0.00 N ATOM 205 CZ ARG A 16 9.333 0.375 3.396 1.00 0.00 C ATOM 206 NH1 ARG A 16 10.573 0.353 2.927 1.00 0.00 N ATOM 207 NH2 ARG A 16 9.122 0.278 4.703 1.00 0.00 N ATOM 0 H ARG A 16 6.940 0.428 -1.219 1.00 0.00 H new ATOM 0 HA ARG A 16 9.378 0.291 -2.823 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.434 -1.169 -1.043 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.382 0.543 -0.673 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.261 -1.380 0.324 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.750 -1.098 1.204 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.081 1.464 0.878 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.473 0.799 0.667 1.00 0.00 H new ATOM 0 HE ARG A 16 7.365 0.509 2.957 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.740 0.428 1.924 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.360 0.261 3.570 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.170 0.296 5.069 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.912 0.186 5.342 1.00 0.00 H new ATOM 221 N HIS A 17 8.457 -1.837 -3.659 1.00 0.00 N ATOM 222 CA HIS A 17 7.927 -3.087 -4.193 1.00 0.00 C ATOM 223 C HIS A 17 7.952 -4.185 -3.134 1.00 0.00 C ATOM 224 O HIS A 17 9.018 -4.583 -2.665 1.00 0.00 O ATOM 225 CB HIS A 17 8.732 -3.524 -5.417 1.00 0.00 C ATOM 226 CG HIS A 17 9.250 -2.381 -6.234 1.00 0.00 C ATOM 227 ND1 HIS A 17 8.539 -1.813 -7.270 1.00 0.00 N ATOM 228 CD2 HIS A 17 10.416 -1.697 -6.161 1.00 0.00 C ATOM 229 CE1 HIS A 17 9.246 -0.831 -7.800 1.00 0.00 C ATOM 230 NE2 HIS A 17 10.389 -0.740 -7.145 1.00 0.00 N ATOM 0 H HIS A 17 9.031 -1.307 -4.315 1.00 0.00 H new ATOM 0 HA HIS A 17 6.892 -2.917 -4.489 1.00 0.00 H new ATOM 0 HB2 HIS A 17 9.573 -4.135 -5.089 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.105 -4.155 -6.047 1.00 0.00 H new ATOM 0 HD2 HIS A 17 11.218 -1.872 -5.459 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.941 -0.208 -8.628 1.00 0.00 H new ATOM 0 HE2 HIS A 17 11.131 -0.068 -7.339 1.00 0.00 H new ATOM 239 N GLN A 18 6.771 -4.668 -2.762 1.00 0.00 N ATOM 240 CA GLN A 18 6.658 -5.718 -1.757 1.00 0.00 C ATOM 241 C GLN A 18 6.069 -6.989 -2.362 1.00 0.00 C ATOM 242 O GLN A 18 5.150 -6.931 -3.177 1.00 0.00 O ATOM 243 CB GLN A 18 5.791 -5.245 -0.590 1.00 0.00 C ATOM 244 CG GLN A 18 4.312 -5.549 -0.768 1.00 0.00 C ATOM 245 CD GLN A 18 3.493 -5.205 0.460 1.00 0.00 C ATOM 246 OE1 GLN A 18 2.538 -5.904 0.800 1.00 0.00 O ATOM 247 NE2 GLN A 18 3.863 -4.122 1.134 1.00 0.00 N ATOM 0 H GLN A 18 5.879 -4.349 -3.141 1.00 0.00 H new ATOM 0 HA GLN A 18 7.659 -5.943 -1.388 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.142 -5.717 0.327 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.920 -4.170 -0.465 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.931 -4.990 -1.623 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.188 -6.607 -0.998 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.661 -3.572 0.817 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.349 -3.841 1.969 1.00 0.00 H new ATOM 256 N GLU A 19 6.607 -8.135 -1.956 1.00 0.00 N ATOM 257 CA GLU A 19 6.134 -9.420 -2.459 1.00 0.00 C ATOM 258 C GLU A 19 5.389 -10.189 -1.373 1.00 0.00 C ATOM 259 O GLU A 19 5.994 -10.683 -0.421 1.00 0.00 O ATOM 260 CB GLU A 19 7.309 -10.254 -2.976 1.00 0.00 C ATOM 261 CG GLU A 19 6.900 -11.616 -3.509 1.00 0.00 C ATOM 262 CD GLU A 19 8.051 -12.357 -4.161 1.00 0.00 C ATOM 263 OE1 GLU A 19 8.566 -11.868 -5.188 1.00 0.00 O ATOM 264 OE2 GLU A 19 8.437 -13.426 -3.644 1.00 0.00 O ATOM 0 H GLU A 19 7.369 -8.200 -1.281 1.00 0.00 H new ATOM 0 HA GLU A 19 5.444 -9.228 -3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.816 -9.701 -3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.030 -10.390 -2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.502 -12.217 -2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.096 -11.492 -4.234 1.00 0.00 H new ATOM 271 N SER A 20 4.072 -10.286 -1.522 1.00 0.00 N ATOM 272 CA SER A 20 3.242 -10.991 -0.552 1.00 0.00 C ATOM 273 C SER A 20 2.835 -12.363 -1.080 1.00 0.00 C ATOM 274 O SER A 20 3.132 -12.713 -2.223 1.00 0.00 O ATOM 275 CB SER A 20 1.995 -10.169 -0.222 1.00 0.00 C ATOM 276 OG SER A 20 2.344 -8.870 0.226 1.00 0.00 O ATOM 0 H SER A 20 3.556 -9.885 -2.305 1.00 0.00 H new ATOM 0 HA SER A 20 3.828 -11.130 0.357 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.361 -10.094 -1.105 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.413 -10.678 0.546 1.00 0.00 H new ATOM 0 HG SER A 20 1.539 -8.314 0.276 1.00 0.00 H new ATOM 282 N ILE A 21 2.155 -13.136 -0.240 1.00 0.00 N ATOM 283 CA ILE A 21 1.706 -14.469 -0.622 1.00 0.00 C ATOM 284 C ILE A 21 0.196 -14.502 -0.830 1.00 0.00 C ATOM 285 O ILE A 21 -0.537 -13.696 -0.258 1.00 0.00 O ATOM 286 CB ILE A 21 2.090 -15.518 0.439 1.00 0.00 C ATOM 287 CG1 ILE A 21 3.523 -16.004 0.212 1.00 0.00 C ATOM 288 CG2 ILE A 21 1.117 -16.686 0.404 1.00 0.00 C ATOM 289 CD1 ILE A 21 3.615 -17.214 -0.690 1.00 0.00 C ATOM 0 H ILE A 21 1.903 -12.862 0.710 1.00 0.00 H new ATOM 0 HA ILE A 21 2.205 -14.713 -1.560 1.00 0.00 H new ATOM 0 HB ILE A 21 2.036 -15.054 1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.109 -15.193 -0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.974 -16.244 1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.401 -17.419 1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.109 -16.326 0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.143 -17.151 -0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.660 -17.503 -0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.057 -18.040 -0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.195 -16.973 -1.666 1.00 0.00 H new ATOM 301 N GLU A 22 -0.262 -15.442 -1.651 1.00 0.00 N ATOM 302 CA GLU A 22 -1.686 -15.580 -1.934 1.00 0.00 C ATOM 303 C GLU A 22 -2.442 -16.061 -0.698 1.00 0.00 C ATOM 304 O GLU A 22 -2.044 -17.030 -0.052 1.00 0.00 O ATOM 305 CB GLU A 22 -1.907 -16.556 -3.092 1.00 0.00 C ATOM 306 CG GLU A 22 -3.244 -17.275 -3.035 1.00 0.00 C ATOM 307 CD GLU A 22 -3.552 -18.034 -4.311 1.00 0.00 C ATOM 308 OE1 GLU A 22 -3.933 -17.388 -5.309 1.00 0.00 O ATOM 309 OE2 GLU A 22 -3.412 -19.276 -4.311 1.00 0.00 O ATOM 0 H GLU A 22 0.331 -16.118 -2.131 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.071 -14.600 -2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.837 -16.011 -4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.106 -17.295 -3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.244 -17.969 -2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.035 -16.549 -2.848 1.00 0.00 H new ATOM 316 N GLY A 23 -3.534 -15.376 -0.375 1.00 0.00 N ATOM 317 CA GLY A 23 -4.328 -15.746 0.782 1.00 0.00 C ATOM 318 C GLY A 23 -3.887 -15.028 2.042 1.00 0.00 C ATOM 319 O GLY A 23 -4.655 -14.905 2.995 1.00 0.00 O ATOM 0 H GLY A 23 -3.883 -14.571 -0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.376 -15.520 0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.258 -16.823 0.938 1.00 0.00 H new ATOM 323 N ALA A 24 -2.645 -14.555 2.047 1.00 0.00 N ATOM 324 CA ALA A 24 -2.103 -13.845 3.199 1.00 0.00 C ATOM 325 C ALA A 24 -2.586 -12.400 3.231 1.00 0.00 C ATOM 326 O ALA A 24 -3.280 -11.945 2.320 1.00 0.00 O ATOM 327 CB ALA A 24 -0.582 -13.895 3.182 1.00 0.00 C ATOM 0 H ALA A 24 -1.995 -14.651 1.266 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.462 -14.340 4.101 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.191 -13.361 4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.252 -14.933 3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.213 -13.427 2.270 1.00 0.00 H new ATOM 333 N THR A 25 -2.217 -11.680 4.286 1.00 0.00 N ATOM 334 CA THR A 25 -2.615 -10.286 4.437 1.00 0.00 C ATOM 335 C THR A 25 -1.453 -9.346 4.135 1.00 0.00 C ATOM 336 O THR A 25 -0.502 -9.250 4.911 1.00 0.00 O ATOM 337 CB THR A 25 -3.134 -10.001 5.859 1.00 0.00 C ATOM 338 OG1 THR A 25 -4.120 -10.972 6.224 1.00 0.00 O ATOM 339 CG2 THR A 25 -3.731 -8.605 5.947 1.00 0.00 C ATOM 0 H THR A 25 -1.643 -12.040 5.049 1.00 0.00 H new ATOM 0 HA THR A 25 -3.418 -10.108 3.722 1.00 0.00 H new ATOM 0 HB THR A 25 -2.292 -10.063 6.549 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.444 -10.785 7.130 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.091 -8.426 6.960 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.969 -7.867 5.697 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.562 -8.520 5.247 1.00 0.00 H new ATOM 347 N ALA A 26 -1.535 -8.655 3.003 1.00 0.00 N ATOM 348 CA ALA A 26 -0.491 -7.721 2.600 1.00 0.00 C ATOM 349 C ALA A 26 -0.389 -6.557 3.579 1.00 0.00 C ATOM 350 O ALA A 26 -1.254 -6.374 4.435 1.00 0.00 O ATOM 351 CB ALA A 26 -0.757 -7.208 1.192 1.00 0.00 C ATOM 0 H ALA A 26 -2.314 -8.724 2.348 1.00 0.00 H new ATOM 0 HA ALA A 26 0.461 -8.252 2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.030 -6.511 0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.772 -8.047 0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.720 -6.698 1.166 1.00 0.00 H new ATOM 357 N THR A 27 0.676 -5.772 3.448 1.00 0.00 N ATOM 358 CA THR A 27 0.893 -4.626 4.322 1.00 0.00 C ATOM 359 C THR A 27 1.930 -3.675 3.736 1.00 0.00 C ATOM 360 O THR A 27 3.123 -3.979 3.710 1.00 0.00 O ATOM 361 CB THR A 27 1.354 -5.069 5.724 1.00 0.00 C ATOM 362 OG1 THR A 27 0.376 -5.934 6.311 1.00 0.00 O ATOM 363 CG2 THR A 27 1.579 -3.864 6.625 1.00 0.00 C ATOM 0 H THR A 27 1.402 -5.909 2.745 1.00 0.00 H new ATOM 0 HA THR A 27 -0.063 -4.109 4.407 1.00 0.00 H new ATOM 0 HB THR A 27 2.297 -5.606 5.620 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.468 -5.856 5.818 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.904 -4.201 7.609 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.345 -3.222 6.190 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.649 -3.304 6.722 1.00 0.00 H new ATOM 371 N LEU A 28 1.468 -2.522 3.265 1.00 0.00 N ATOM 372 CA LEU A 28 2.356 -1.524 2.678 1.00 0.00 C ATOM 373 C LEU A 28 2.727 -0.456 3.702 1.00 0.00 C ATOM 374 O LEU A 28 2.106 -0.354 4.760 1.00 0.00 O ATOM 375 CB LEU A 28 1.693 -0.874 1.463 1.00 0.00 C ATOM 376 CG LEU A 28 1.769 -1.661 0.155 1.00 0.00 C ATOM 377 CD1 LEU A 28 0.554 -1.373 -0.714 1.00 0.00 C ATOM 378 CD2 LEU A 28 3.052 -1.330 -0.593 1.00 0.00 C ATOM 0 H LEU A 28 0.484 -2.255 3.278 1.00 0.00 H new ATOM 0 HA LEU A 28 3.268 -2.028 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.643 -0.699 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.151 0.102 1.303 1.00 0.00 H new ATOM 0 HG LEU A 28 1.775 -2.724 0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.626 -1.942 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.352 -1.662 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.516 -0.308 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.089 -1.899 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.076 -0.264 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.911 -1.589 0.026 1.00 0.00 H new ATOM 390 N ARG A 29 3.742 0.339 3.379 1.00 0.00 N ATOM 391 CA ARG A 29 4.194 1.400 4.270 1.00 0.00 C ATOM 392 C ARG A 29 4.994 2.450 3.503 1.00 0.00 C ATOM 393 O ARG A 29 5.861 2.116 2.694 1.00 0.00 O ATOM 394 CB ARG A 29 5.048 0.818 5.398 1.00 0.00 C ATOM 395 CG ARG A 29 5.264 1.780 6.556 1.00 0.00 C ATOM 396 CD ARG A 29 5.602 1.038 7.840 1.00 0.00 C ATOM 397 NE ARG A 29 7.040 0.829 7.988 1.00 0.00 N ATOM 398 CZ ARG A 29 7.606 0.386 9.105 1.00 0.00 C ATOM 399 NH1 ARG A 29 6.860 0.106 10.165 1.00 0.00 N ATOM 400 NH2 ARG A 29 8.922 0.221 9.163 1.00 0.00 N ATOM 0 H ARG A 29 4.267 0.268 2.507 1.00 0.00 H new ATOM 0 HA ARG A 29 3.314 1.879 4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.571 -0.088 5.773 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.017 0.525 4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.070 2.471 6.311 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.365 2.379 6.706 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.228 1.602 8.694 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.093 0.074 7.847 1.00 0.00 H new ATOM 0 HE ARG A 29 7.642 1.034 7.191 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.848 0.231 10.124 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.298 -0.234 11.021 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.499 0.434 8.349 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.356 -0.119 10.021 1.00 0.00 H new ATOM 414 N CYS A 30 4.696 3.718 3.761 1.00 0.00 N ATOM 415 CA CYS A 30 5.385 4.817 3.095 1.00 0.00 C ATOM 416 C CYS A 30 5.685 5.946 4.075 1.00 0.00 C ATOM 417 O CYS A 30 5.258 5.908 5.229 1.00 0.00 O ATOM 418 CB CYS A 30 4.543 5.345 1.932 1.00 0.00 C ATOM 419 SG CYS A 30 2.851 5.790 2.389 1.00 0.00 S ATOM 0 H CYS A 30 3.981 4.011 4.427 1.00 0.00 H new ATOM 0 HA CYS A 30 6.330 4.437 2.707 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.036 6.220 1.509 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.509 4.588 1.149 1.00 0.00 H new ATOM 0 HG CYS A 30 2.126 5.898 1.316 1.00 0.00 H new ATOM 425 N GLU A 31 6.423 6.948 3.609 1.00 0.00 N ATOM 426 CA GLU A 31 6.781 8.087 4.446 1.00 0.00 C ATOM 427 C GLU A 31 6.348 9.398 3.797 1.00 0.00 C ATOM 428 O GLU A 31 6.259 9.498 2.572 1.00 0.00 O ATOM 429 CB GLU A 31 8.290 8.105 4.702 1.00 0.00 C ATOM 430 CG GLU A 31 8.674 8.726 6.035 1.00 0.00 C ATOM 431 CD GLU A 31 10.141 8.536 6.366 1.00 0.00 C ATOM 432 OE1 GLU A 31 10.666 7.430 6.117 1.00 0.00 O ATOM 433 OE2 GLU A 31 10.764 9.491 6.874 1.00 0.00 O ATOM 0 H GLU A 31 6.785 6.994 2.656 1.00 0.00 H new ATOM 0 HA GLU A 31 6.259 7.984 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.669 7.084 4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.780 8.656 3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.445 9.791 6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.067 8.285 6.825 1.00 0.00 H new ATOM 440 N LEU A 32 6.079 10.401 4.625 1.00 0.00 N ATOM 441 CA LEU A 32 5.655 11.707 4.133 1.00 0.00 C ATOM 442 C LEU A 32 6.451 12.825 4.798 1.00 0.00 C ATOM 443 O LEU A 32 6.911 12.684 5.931 1.00 0.00 O ATOM 444 CB LEU A 32 4.160 11.909 4.389 1.00 0.00 C ATOM 445 CG LEU A 32 3.216 11.002 3.598 1.00 0.00 C ATOM 446 CD1 LEU A 32 1.811 11.060 4.178 1.00 0.00 C ATOM 447 CD2 LEU A 32 3.204 11.396 2.129 1.00 0.00 C ATOM 0 H LEU A 32 6.147 10.335 5.641 1.00 0.00 H new ATOM 0 HA LEU A 32 5.843 11.742 3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.970 11.759 5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.910 12.946 4.163 1.00 0.00 H new ATOM 0 HG LEU A 32 3.578 9.977 3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.153 10.409 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.832 10.729 5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.440 12.084 4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.527 10.740 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.867 12.428 2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.210 11.303 1.719 1.00 0.00 H new ATOM 459 N SER A 33 6.609 13.936 4.087 1.00 0.00 N ATOM 460 CA SER A 33 7.351 15.079 4.607 1.00 0.00 C ATOM 461 C SER A 33 6.687 15.631 5.864 1.00 0.00 C ATOM 462 O SER A 33 7.284 16.412 6.605 1.00 0.00 O ATOM 463 CB SER A 33 7.452 16.175 3.545 1.00 0.00 C ATOM 464 OG SER A 33 6.230 16.885 3.428 1.00 0.00 O ATOM 0 H SER A 33 6.233 14.070 3.148 1.00 0.00 H new ATOM 0 HA SER A 33 8.355 14.742 4.866 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.254 16.866 3.805 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.712 15.732 2.584 1.00 0.00 H new ATOM 0 HG SER A 33 6.351 17.647 2.823 1.00 0.00 H new ATOM 470 N LYS A 34 5.445 15.220 6.099 1.00 0.00 N ATOM 471 CA LYS A 34 4.697 15.671 7.266 1.00 0.00 C ATOM 472 C LYS A 34 3.375 14.920 7.389 1.00 0.00 C ATOM 473 O LYS A 34 2.757 14.564 6.386 1.00 0.00 O ATOM 474 CB LYS A 34 4.434 17.176 7.179 1.00 0.00 C ATOM 475 CG LYS A 34 3.667 17.589 5.934 1.00 0.00 C ATOM 476 CD LYS A 34 3.203 19.033 6.018 1.00 0.00 C ATOM 477 CE LYS A 34 3.116 19.672 4.640 1.00 0.00 C ATOM 478 NZ LYS A 34 4.463 19.869 4.035 1.00 0.00 N ATOM 0 H LYS A 34 4.935 14.575 5.496 1.00 0.00 H new ATOM 0 HA LYS A 34 5.296 15.464 8.152 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.875 17.490 8.061 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.387 17.705 7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.300 17.460 5.056 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.804 16.936 5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.227 19.075 6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.893 19.602 6.641 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.512 19.044 3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.608 20.633 4.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.609 20.879 3.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.193 19.539 4.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.529 19.327 3.150 1.00 0.00 H new ATOM 492 N ALA A 35 2.946 14.684 8.625 1.00 0.00 N ATOM 493 CA ALA A 35 1.696 13.978 8.878 1.00 0.00 C ATOM 494 C ALA A 35 0.564 14.547 8.030 1.00 0.00 C ATOM 495 O ALA A 35 0.120 15.675 8.245 1.00 0.00 O ATOM 496 CB ALA A 35 1.339 14.050 10.355 1.00 0.00 C ATOM 0 H ALA A 35 3.446 14.971 9.466 1.00 0.00 H new ATOM 0 HA ALA A 35 1.834 12.933 8.600 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.403 13.519 10.529 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.133 13.590 10.944 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.225 15.093 10.651 1.00 0.00 H new ATOM 502 N ALA A 36 0.101 13.760 7.064 1.00 0.00 N ATOM 503 CA ALA A 36 -0.981 14.185 6.185 1.00 0.00 C ATOM 504 C ALA A 36 -1.758 12.986 5.650 1.00 0.00 C ATOM 505 O ALA A 36 -1.229 11.883 5.518 1.00 0.00 O ATOM 506 CB ALA A 36 -0.431 15.015 5.035 1.00 0.00 C ATOM 0 H ALA A 36 0.459 12.825 6.871 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.668 14.799 6.767 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.250 15.326 4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.073 15.897 5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.279 14.418 4.462 1.00 0.00 H new ATOM 512 N PRO A 37 -3.043 13.205 5.336 1.00 0.00 N ATOM 513 CA PRO A 37 -3.920 12.154 4.811 1.00 0.00 C ATOM 514 C PRO A 37 -3.542 11.739 3.393 1.00 0.00 C ATOM 515 O PRO A 37 -3.236 12.581 2.549 1.00 0.00 O ATOM 516 CB PRO A 37 -5.304 12.807 4.826 1.00 0.00 C ATOM 517 CG PRO A 37 -5.035 14.269 4.738 1.00 0.00 C ATOM 518 CD PRO A 37 -3.739 14.496 5.468 1.00 0.00 C ATOM 0 HA PRO A 37 -3.859 11.239 5.401 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.912 12.465 3.988 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.849 12.559 5.737 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.959 14.590 3.699 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.844 14.843 5.191 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.165 15.309 5.024 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.907 14.757 6.513 1.00 0.00 H new ATOM 526 N VAL A 38 -3.565 10.434 3.138 1.00 0.00 N ATOM 527 CA VAL A 38 -3.227 9.907 1.821 1.00 0.00 C ATOM 528 C VAL A 38 -4.389 9.118 1.230 1.00 0.00 C ATOM 529 O VAL A 38 -5.429 8.953 1.868 1.00 0.00 O ATOM 530 CB VAL A 38 -1.984 9.000 1.883 1.00 0.00 C ATOM 531 CG1 VAL A 38 -0.757 9.801 2.292 1.00 0.00 C ATOM 532 CG2 VAL A 38 -2.217 7.841 2.840 1.00 0.00 C ATOM 0 H VAL A 38 -3.814 9.723 3.826 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.012 10.764 1.182 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.806 8.590 0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.111 9.143 2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.580 10.593 1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.921 10.242 3.275 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.328 7.211 2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.422 8.229 3.838 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.068 7.252 2.498 1.00 0.00 H new ATOM 542 N GLU A 39 -4.206 8.632 0.006 1.00 0.00 N ATOM 543 CA GLU A 39 -5.241 7.860 -0.672 1.00 0.00 C ATOM 544 C GLU A 39 -4.624 6.764 -1.536 1.00 0.00 C ATOM 545 O GLU A 39 -4.049 7.040 -2.589 1.00 0.00 O ATOM 546 CB GLU A 39 -6.109 8.777 -1.535 1.00 0.00 C ATOM 547 CG GLU A 39 -7.424 8.146 -1.963 1.00 0.00 C ATOM 548 CD GLU A 39 -8.513 8.304 -0.920 1.00 0.00 C ATOM 549 OE1 GLU A 39 -8.238 8.046 0.271 1.00 0.00 O ATOM 550 OE2 GLU A 39 -9.641 8.686 -1.294 1.00 0.00 O ATOM 0 H GLU A 39 -3.351 8.759 -0.536 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.865 7.391 0.088 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.318 9.692 -0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.547 9.064 -2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.753 8.599 -2.898 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.267 7.086 -2.161 1.00 0.00 H new ATOM 557 N TRP A 40 -4.747 5.522 -1.083 1.00 0.00 N ATOM 558 CA TRP A 40 -4.201 4.384 -1.814 1.00 0.00 C ATOM 559 C TRP A 40 -5.065 4.051 -3.026 1.00 0.00 C ATOM 560 O TRP A 40 -6.292 4.128 -2.965 1.00 0.00 O ATOM 561 CB TRP A 40 -4.096 3.165 -0.896 1.00 0.00 C ATOM 562 CG TRP A 40 -3.205 3.388 0.287 1.00 0.00 C ATOM 563 CD1 TRP A 40 -3.519 4.055 1.436 1.00 0.00 C ATOM 564 CD2 TRP A 40 -1.852 2.944 0.436 1.00 0.00 C ATOM 565 NE1 TRP A 40 -2.443 4.053 2.291 1.00 0.00 N ATOM 566 CE2 TRP A 40 -1.408 3.377 1.701 1.00 0.00 C ATOM 567 CE3 TRP A 40 -0.972 2.221 -0.374 1.00 0.00 C ATOM 568 CZ2 TRP A 40 -0.125 3.111 2.171 1.00 0.00 C ATOM 569 CZ3 TRP A 40 0.301 1.958 0.093 1.00 0.00 C ATOM 570 CH2 TRP A 40 0.715 2.401 1.356 1.00 0.00 C ATOM 0 H TRP A 40 -5.220 5.277 -0.213 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.204 4.653 -2.164 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.093 2.896 -0.546 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.720 2.318 -1.470 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.473 4.517 1.643 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.419 4.485 3.215 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.282 1.874 -1.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 0.196 3.453 3.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.989 1.401 -0.526 1.00 0.00 H new ATOM 0 HH2 TRP A 40 1.716 2.178 1.693 1.00 0.00 H new ATOM 581 N ARG A 41 -4.416 3.681 -4.125 1.00 0.00 N ATOM 582 CA ARG A 41 -5.125 3.337 -5.352 1.00 0.00 C ATOM 583 C ARG A 41 -4.491 2.123 -6.025 1.00 0.00 C ATOM 584 O ARG A 41 -3.379 2.200 -6.548 1.00 0.00 O ATOM 585 CB ARG A 41 -5.127 4.525 -6.315 1.00 0.00 C ATOM 586 CG ARG A 41 -6.085 5.634 -5.913 1.00 0.00 C ATOM 587 CD ARG A 41 -6.491 6.481 -7.109 1.00 0.00 C ATOM 588 NE ARG A 41 -7.525 7.453 -6.766 1.00 0.00 N ATOM 589 CZ ARG A 41 -8.324 8.023 -7.661 1.00 0.00 C ATOM 590 NH1 ARG A 41 -8.208 7.719 -8.946 1.00 0.00 N ATOM 591 NH2 ARG A 41 -9.242 8.899 -7.271 1.00 0.00 N ATOM 0 H ARG A 41 -3.401 3.612 -4.191 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.154 3.089 -5.090 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.118 4.933 -6.377 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.390 4.173 -7.312 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.974 5.200 -5.455 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.615 6.267 -5.160 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.616 7.004 -7.496 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.854 5.832 -7.906 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.640 7.708 -5.785 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.504 7.046 -9.249 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.823 8.158 -9.631 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.334 9.135 -6.283 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.855 9.336 -7.959 1.00 0.00 H new ATOM 605 N LYS A 42 -5.205 1.003 -6.006 1.00 0.00 N ATOM 606 CA LYS A 42 -4.713 -0.228 -6.615 1.00 0.00 C ATOM 607 C LYS A 42 -4.997 -0.245 -8.113 1.00 0.00 C ATOM 608 O LYS A 42 -6.060 -0.687 -8.548 1.00 0.00 O ATOM 609 CB LYS A 42 -5.360 -1.444 -5.948 1.00 0.00 C ATOM 610 CG LYS A 42 -5.062 -2.755 -6.655 1.00 0.00 C ATOM 611 CD LYS A 42 -6.120 -3.804 -6.355 1.00 0.00 C ATOM 612 CE LYS A 42 -5.917 -5.057 -7.193 1.00 0.00 C ATOM 613 NZ LYS A 42 -6.457 -4.895 -8.572 1.00 0.00 N ATOM 0 H LYS A 42 -6.126 0.922 -5.576 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.634 -0.271 -6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.013 -1.510 -4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.439 -1.297 -5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.011 -2.586 -7.731 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.085 -3.123 -6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.087 -4.064 -5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.109 -3.391 -6.551 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.854 -5.291 -7.244 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.406 -5.902 -6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.299 -5.770 -9.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.477 -4.696 -8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.972 -4.105 -9.044 1.00 0.00 H new ATOM 627 N GLY A 43 -4.039 0.238 -8.899 1.00 0.00 N ATOM 628 CA GLY A 43 -4.206 0.267 -10.340 1.00 0.00 C ATOM 629 C GLY A 43 -5.494 0.945 -10.761 1.00 0.00 C ATOM 630 O GLY A 43 -6.570 0.352 -10.684 1.00 0.00 O ATOM 0 H GLY A 43 -3.150 0.610 -8.563 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.361 0.788 -10.790 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.193 -0.753 -10.725 1.00 0.00 H new ATOM 634 N ARG A 44 -5.386 2.193 -11.206 1.00 0.00 N ATOM 635 CA ARG A 44 -6.553 2.954 -11.638 1.00 0.00 C ATOM 636 C ARG A 44 -7.766 2.627 -10.772 1.00 0.00 C ATOM 637 O ARG A 44 -8.903 2.673 -11.239 1.00 0.00 O ATOM 638 CB ARG A 44 -6.865 2.658 -13.106 1.00 0.00 C ATOM 639 CG ARG A 44 -7.496 1.294 -13.332 1.00 0.00 C ATOM 640 CD ARG A 44 -8.375 1.285 -14.573 1.00 0.00 C ATOM 641 NE ARG A 44 -8.484 -0.049 -15.156 1.00 0.00 N ATOM 642 CZ ARG A 44 -7.588 -0.562 -15.992 1.00 0.00 C ATOM 643 NH1 ARG A 44 -6.522 0.145 -16.340 1.00 0.00 N ATOM 644 NH2 ARG A 44 -7.758 -1.783 -16.481 1.00 0.00 N ATOM 0 H ARG A 44 -4.503 2.698 -11.277 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.326 4.014 -11.529 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.536 3.427 -13.488 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.944 2.723 -13.685 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.713 0.542 -13.434 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.091 1.019 -12.461 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -9.369 1.651 -14.316 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.964 1.972 -15.313 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.293 -0.619 -14.908 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.389 1.084 -15.966 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.835 -0.250 -16.982 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.577 -2.329 -16.215 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.069 -2.176 -17.123 1.00 0.00 H new ATOM 658 N GLU A 45 -7.514 2.296 -9.509 1.00 0.00 N ATOM 659 CA GLU A 45 -8.586 1.960 -8.580 1.00 0.00 C ATOM 660 C GLU A 45 -8.470 2.778 -7.297 1.00 0.00 C ATOM 661 O GLU A 45 -7.414 3.333 -6.995 1.00 0.00 O ATOM 662 CB GLU A 45 -8.555 0.466 -8.249 1.00 0.00 C ATOM 663 CG GLU A 45 -9.926 -0.121 -7.959 1.00 0.00 C ATOM 664 CD GLU A 45 -9.849 -1.489 -7.309 1.00 0.00 C ATOM 665 OE1 GLU A 45 -8.997 -2.299 -7.730 1.00 0.00 O ATOM 666 OE2 GLU A 45 -10.641 -1.749 -6.379 1.00 0.00 O ATOM 0 H GLU A 45 -6.578 2.254 -9.107 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.535 2.199 -9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.107 -0.073 -9.084 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.911 0.307 -7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.477 0.557 -7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.489 -0.196 -8.889 1.00 0.00 H new ATOM 673 N SER A 46 -9.565 2.849 -6.546 1.00 0.00 N ATOM 674 CA SER A 46 -9.589 3.603 -5.298 1.00 0.00 C ATOM 675 C SER A 46 -9.641 2.663 -4.097 1.00 0.00 C ATOM 676 O SER A 46 -10.521 1.807 -4.001 1.00 0.00 O ATOM 677 CB SER A 46 -10.791 4.549 -5.272 1.00 0.00 C ATOM 678 OG SER A 46 -11.174 4.850 -3.942 1.00 0.00 O ATOM 0 H SER A 46 -10.447 2.393 -6.780 1.00 0.00 H new ATOM 0 HA SER A 46 -8.673 4.190 -5.239 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.544 5.470 -5.800 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.628 4.093 -5.801 1.00 0.00 H new ATOM 0 HG SER A 46 -11.943 5.457 -3.953 1.00 0.00 H new ATOM 684 N LEU A 47 -8.692 2.830 -3.183 1.00 0.00 N ATOM 685 CA LEU A 47 -8.628 1.998 -1.986 1.00 0.00 C ATOM 686 C LEU A 47 -8.950 2.813 -0.738 1.00 0.00 C ATOM 687 O LEU A 47 -8.280 3.801 -0.440 1.00 0.00 O ATOM 688 CB LEU A 47 -7.240 1.367 -1.853 1.00 0.00 C ATOM 689 CG LEU A 47 -7.052 0.010 -2.531 1.00 0.00 C ATOM 690 CD1 LEU A 47 -7.888 -0.075 -3.799 1.00 0.00 C ATOM 691 CD2 LEU A 47 -5.582 -0.232 -2.842 1.00 0.00 C ATOM 0 H LEU A 47 -7.956 3.534 -3.247 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.372 1.208 -2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.507 2.061 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.014 1.255 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.391 -0.767 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.741 -1.048 -4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.941 0.052 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.582 0.710 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.467 -1.203 -3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.218 0.550 -3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.007 -0.217 -1.916 1.00 0.00 H new ATOM 703 N ARG A 48 -9.980 2.390 -0.012 1.00 0.00 N ATOM 704 CA ARG A 48 -10.391 3.081 1.205 1.00 0.00 C ATOM 705 C ARG A 48 -10.606 2.090 2.346 1.00 0.00 C ATOM 706 O ARG A 48 -10.966 0.935 2.118 1.00 0.00 O ATOM 707 CB ARG A 48 -11.674 3.876 0.957 1.00 0.00 C ATOM 708 CG ARG A 48 -12.645 3.187 0.014 1.00 0.00 C ATOM 709 CD ARG A 48 -14.081 3.602 0.292 1.00 0.00 C ATOM 710 NE ARG A 48 -14.525 3.182 1.618 1.00 0.00 N ATOM 711 CZ ARG A 48 -15.803 3.062 1.962 1.00 0.00 C ATOM 712 NH1 ARG A 48 -16.757 3.328 1.082 1.00 0.00 N ATOM 713 NH2 ARG A 48 -16.127 2.675 3.189 1.00 0.00 N ATOM 0 H ARG A 48 -10.545 1.573 -0.245 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.595 3.769 1.489 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -12.171 4.054 1.911 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -11.413 4.852 0.547 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.388 3.431 -1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.551 2.106 0.119 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.168 4.685 0.207 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.736 3.169 -0.464 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.815 2.969 2.319 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.511 3.626 0.138 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -17.737 3.235 1.349 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.395 2.469 3.869 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -17.108 2.583 3.452 1.00 0.00 H new ATOM 727 N ASP A 49 -10.383 2.550 3.572 1.00 0.00 N ATOM 728 CA ASP A 49 -10.554 1.705 4.748 1.00 0.00 C ATOM 729 C ASP A 49 -11.900 0.988 4.712 1.00 0.00 C ATOM 730 O ASP A 49 -12.949 1.622 4.610 1.00 0.00 O ATOM 731 CB ASP A 49 -10.441 2.542 6.024 1.00 0.00 C ATOM 732 CG ASP A 49 -11.784 3.069 6.491 1.00 0.00 C ATOM 733 OD1 ASP A 49 -12.451 3.772 5.704 1.00 0.00 O ATOM 734 OD2 ASP A 49 -12.167 2.777 7.643 1.00 0.00 O ATOM 0 H ASP A 49 -10.083 3.503 3.777 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.764 0.954 4.744 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.997 1.937 6.814 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.767 3.380 5.847 1.00 0.00 H new ATOM 739 N GLY A 50 -11.861 -0.338 4.795 1.00 0.00 N ATOM 740 CA GLY A 50 -13.083 -1.119 4.769 1.00 0.00 C ATOM 741 C GLY A 50 -13.020 -2.327 5.683 1.00 0.00 C ATOM 742 O GLY A 50 -12.368 -2.290 6.727 1.00 0.00 O ATOM 0 H GLY A 50 -11.004 -0.885 4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.920 -0.487 5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.278 -1.449 3.749 1.00 0.00 H new ATOM 746 N ASP A 51 -13.698 -3.400 5.292 1.00 0.00 N ATOM 747 CA ASP A 51 -13.717 -4.624 6.083 1.00 0.00 C ATOM 748 C ASP A 51 -12.377 -4.840 6.781 1.00 0.00 C ATOM 749 O ASP A 51 -12.252 -4.625 7.986 1.00 0.00 O ATOM 750 CB ASP A 51 -14.043 -5.826 5.196 1.00 0.00 C ATOM 751 CG ASP A 51 -13.955 -7.141 5.946 1.00 0.00 C ATOM 752 OD1 ASP A 51 -12.982 -7.325 6.707 1.00 0.00 O ATOM 753 OD2 ASP A 51 -14.859 -7.984 5.772 1.00 0.00 O ATOM 0 H ASP A 51 -14.242 -3.447 4.431 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.491 -4.524 6.843 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.047 -5.711 4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.355 -5.847 4.350 1.00 0.00 H new ATOM 758 N ARG A 52 -11.379 -5.268 6.014 1.00 0.00 N ATOM 759 CA ARG A 52 -10.050 -5.516 6.559 1.00 0.00 C ATOM 760 C ARG A 52 -9.071 -4.430 6.120 1.00 0.00 C ATOM 761 O ARG A 52 -8.075 -4.167 6.795 1.00 0.00 O ATOM 762 CB ARG A 52 -9.540 -6.887 6.113 1.00 0.00 C ATOM 763 CG ARG A 52 -9.814 -7.995 7.117 1.00 0.00 C ATOM 764 CD ARG A 52 -8.980 -7.824 8.377 1.00 0.00 C ATOM 765 NE ARG A 52 -9.608 -8.448 9.539 1.00 0.00 N ATOM 766 CZ ARG A 52 -9.215 -8.236 10.790 1.00 0.00 C ATOM 767 NH1 ARG A 52 -8.200 -7.420 11.040 1.00 0.00 N ATOM 768 NH2 ARG A 52 -9.836 -8.842 11.793 1.00 0.00 N ATOM 0 H ARG A 52 -11.466 -5.450 5.014 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.122 -5.499 7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.005 -7.147 5.162 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.466 -6.826 5.936 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.872 -7.998 7.378 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.595 -8.961 6.663 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.993 -8.260 8.220 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.832 -6.762 8.572 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.392 -9.082 9.381 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.719 -6.954 10.271 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.900 -7.259 12.001 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.616 -9.471 11.604 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.534 -8.679 12.753 1.00 0.00 H new ATOM 782 N HIS A 53 -9.362 -3.803 4.984 1.00 0.00 N ATOM 783 CA HIS A 53 -8.508 -2.746 4.455 1.00 0.00 C ATOM 784 C HIS A 53 -8.173 -1.725 5.537 1.00 0.00 C ATOM 785 O HIS A 53 -8.928 -0.779 5.767 1.00 0.00 O ATOM 786 CB HIS A 53 -9.191 -2.052 3.276 1.00 0.00 C ATOM 787 CG HIS A 53 -9.148 -2.847 2.007 1.00 0.00 C ATOM 788 ND1 HIS A 53 -10.075 -3.820 1.697 1.00 0.00 N ATOM 789 CD2 HIS A 53 -8.285 -2.806 0.965 1.00 0.00 C ATOM 790 CE1 HIS A 53 -9.781 -4.345 0.521 1.00 0.00 C ATOM 791 NE2 HIS A 53 -8.700 -3.747 0.055 1.00 0.00 N ATOM 0 H HIS A 53 -10.182 -4.009 4.413 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.579 -3.201 4.111 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.231 -1.852 3.535 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.714 -1.087 3.107 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.429 -2.154 0.867 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.332 -5.130 0.025 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.247 -3.951 -0.836 1.00 0.00 H new ATOM 800 N SER A 54 -7.038 -1.922 6.200 1.00 0.00 N ATOM 801 CA SER A 54 -6.606 -1.020 7.261 1.00 0.00 C ATOM 802 C SER A 54 -5.606 0.003 6.732 1.00 0.00 C ATOM 803 O SER A 54 -4.532 -0.355 6.246 1.00 0.00 O ATOM 804 CB SER A 54 -5.981 -1.813 8.410 1.00 0.00 C ATOM 805 OG SER A 54 -6.956 -2.166 9.376 1.00 0.00 O ATOM 0 H SER A 54 -6.401 -2.698 6.021 1.00 0.00 H new ATOM 0 HA SER A 54 -7.483 -0.488 7.630 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.509 -2.714 8.019 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.196 -1.220 8.880 1.00 0.00 H new ATOM 0 HG SER A 54 -6.570 -2.804 10.012 1.00 0.00 H new ATOM 811 N LEU A 55 -5.966 1.278 6.828 1.00 0.00 N ATOM 812 CA LEU A 55 -5.101 2.355 6.359 1.00 0.00 C ATOM 813 C LEU A 55 -4.473 3.099 7.533 1.00 0.00 C ATOM 814 O LEU A 55 -4.175 4.290 7.438 1.00 0.00 O ATOM 815 CB LEU A 55 -5.895 3.331 5.489 1.00 0.00 C ATOM 816 CG LEU A 55 -6.502 2.749 4.211 1.00 0.00 C ATOM 817 CD1 LEU A 55 -5.416 2.461 3.187 1.00 0.00 C ATOM 818 CD2 LEU A 55 -7.292 1.486 4.523 1.00 0.00 C ATOM 0 H LEU A 55 -6.851 1.591 7.226 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.302 1.913 5.763 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.700 3.751 6.091 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.239 4.157 5.213 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.185 3.486 3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.867 2.048 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.894 3.385 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.707 1.743 3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.717 1.086 3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.630 0.744 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.096 1.722 5.220 1.00 0.00 H new ATOM 830 N ARG A 56 -4.273 2.389 8.638 1.00 0.00 N ATOM 831 CA ARG A 56 -3.678 2.982 9.830 1.00 0.00 C ATOM 832 C ARG A 56 -2.611 4.005 9.454 1.00 0.00 C ATOM 833 O ARG A 56 -1.962 3.886 8.416 1.00 0.00 O ATOM 834 CB ARG A 56 -3.068 1.894 10.716 1.00 0.00 C ATOM 835 CG ARG A 56 -2.169 0.928 9.962 1.00 0.00 C ATOM 836 CD ARG A 56 -1.875 -0.317 10.785 1.00 0.00 C ATOM 837 NE ARG A 56 -3.062 -1.151 10.957 1.00 0.00 N ATOM 838 CZ ARG A 56 -3.115 -2.191 11.783 1.00 0.00 C ATOM 839 NH1 ARG A 56 -2.056 -2.521 12.508 1.00 0.00 N ATOM 840 NH2 ARG A 56 -4.231 -2.901 11.885 1.00 0.00 N ATOM 0 H ARG A 56 -4.514 1.402 8.733 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.466 3.492 10.384 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.493 2.366 11.513 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.872 1.333 11.193 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.646 0.642 9.025 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.234 1.425 9.705 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.091 -0.897 10.298 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.493 -0.024 11.763 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.895 -0.923 10.414 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.197 -1.976 12.433 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.100 -3.320 13.141 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.048 -2.649 11.330 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.272 -3.699 12.519 1.00 0.00 H new ATOM 854 N GLN A 57 -2.437 5.011 10.306 1.00 0.00 N ATOM 855 CA GLN A 57 -1.449 6.055 10.062 1.00 0.00 C ATOM 856 C GLN A 57 -0.720 6.427 11.349 1.00 0.00 C ATOM 857 O GLN A 57 -1.297 6.380 12.436 1.00 0.00 O ATOM 858 CB GLN A 57 -2.122 7.294 9.467 1.00 0.00 C ATOM 859 CG GLN A 57 -2.175 7.287 7.948 1.00 0.00 C ATOM 860 CD GLN A 57 -2.441 8.662 7.367 1.00 0.00 C ATOM 861 OE1 GLN A 57 -3.592 9.057 7.180 1.00 0.00 O ATOM 862 NE2 GLN A 57 -1.375 9.400 7.079 1.00 0.00 N ATOM 0 H GLN A 57 -2.967 5.125 11.170 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.718 5.669 9.351 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.137 7.369 9.857 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.586 8.183 9.800 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.231 6.908 7.557 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.955 6.600 7.619 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.439 9.033 7.250 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.492 10.334 6.687 1.00 0.00 H new ATOM 871 N ASP A 58 0.549 6.796 11.219 1.00 0.00 N ATOM 872 CA ASP A 58 1.357 7.176 12.372 1.00 0.00 C ATOM 873 C ASP A 58 2.285 8.337 12.025 1.00 0.00 C ATOM 874 O ASP A 58 3.227 8.182 11.249 1.00 0.00 O ATOM 875 CB ASP A 58 2.176 5.982 12.864 1.00 0.00 C ATOM 876 CG ASP A 58 2.835 6.245 14.204 1.00 0.00 C ATOM 877 OD1 ASP A 58 3.460 7.316 14.358 1.00 0.00 O ATOM 878 OD2 ASP A 58 2.725 5.381 15.098 1.00 0.00 O ATOM 0 H ASP A 58 1.041 6.840 10.327 1.00 0.00 H new ATOM 0 HA ASP A 58 0.684 7.497 13.167 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.528 5.110 12.946 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.942 5.742 12.127 1.00 0.00 H new ATOM 883 N GLY A 59 2.011 9.501 12.607 1.00 0.00 N ATOM 884 CA GLY A 59 2.829 10.671 12.346 1.00 0.00 C ATOM 885 C GLY A 59 2.960 10.969 10.866 1.00 0.00 C ATOM 886 O GLY A 59 2.024 11.467 10.241 1.00 0.00 O ATOM 0 H GLY A 59 1.238 9.654 13.254 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.394 11.534 12.850 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.821 10.519 12.772 1.00 0.00 H new ATOM 890 N ALA A 60 4.125 10.666 10.304 1.00 0.00 N ATOM 891 CA ALA A 60 4.375 10.904 8.888 1.00 0.00 C ATOM 892 C ALA A 60 4.583 9.592 8.138 1.00 0.00 C ATOM 893 O ALA A 60 5.252 9.555 7.106 1.00 0.00 O ATOM 894 CB ALA A 60 5.583 11.812 8.711 1.00 0.00 C ATOM 0 H ALA A 60 4.911 10.255 10.808 1.00 0.00 H new ATOM 0 HA ALA A 60 3.498 11.397 8.468 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.758 11.981 7.649 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.397 12.766 9.205 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.461 11.340 9.153 1.00 0.00 H new ATOM 900 N VAL A 61 4.005 8.518 8.665 1.00 0.00 N ATOM 901 CA VAL A 61 4.126 7.203 8.046 1.00 0.00 C ATOM 902 C VAL A 61 2.763 6.537 7.899 1.00 0.00 C ATOM 903 O VAL A 61 1.999 6.445 8.860 1.00 0.00 O ATOM 904 CB VAL A 61 5.051 6.281 8.863 1.00 0.00 C ATOM 905 CG1 VAL A 61 5.204 4.933 8.174 1.00 0.00 C ATOM 906 CG2 VAL A 61 6.406 6.938 9.074 1.00 0.00 C ATOM 0 H VAL A 61 3.448 8.532 9.519 1.00 0.00 H new ATOM 0 HA VAL A 61 4.560 7.357 7.058 1.00 0.00 H new ATOM 0 HB VAL A 61 4.598 6.114 9.840 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.861 4.295 8.765 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.227 4.460 8.079 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.634 5.078 7.183 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.047 6.273 9.653 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.869 7.137 8.107 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.275 7.876 9.613 1.00 0.00 H new ATOM 916 N CYS A 62 2.464 6.074 6.690 1.00 0.00 N ATOM 917 CA CYS A 62 1.192 5.416 6.416 1.00 0.00 C ATOM 918 C CYS A 62 1.388 3.918 6.206 1.00 0.00 C ATOM 919 O CYS A 62 2.507 3.455 5.984 1.00 0.00 O ATOM 920 CB CYS A 62 0.529 6.033 5.184 1.00 0.00 C ATOM 921 SG CYS A 62 0.583 7.840 5.145 1.00 0.00 S ATOM 0 H CYS A 62 3.085 6.142 5.884 1.00 0.00 H new ATOM 0 HA CYS A 62 0.543 5.562 7.280 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.017 5.646 4.290 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -0.511 5.710 5.144 1.00 0.00 H new ATOM 0 HG CYS A 62 1.224 8.232 4.084 1.00 0.00 H new ATOM 927 N GLU A 63 0.294 3.166 6.280 1.00 0.00 N ATOM 928 CA GLU A 63 0.348 1.720 6.101 1.00 0.00 C ATOM 929 C GLU A 63 -0.990 1.184 5.601 1.00 0.00 C ATOM 930 O GLU A 63 -2.035 1.430 6.205 1.00 0.00 O ATOM 931 CB GLU A 63 0.727 1.034 7.415 1.00 0.00 C ATOM 932 CG GLU A 63 2.225 0.864 7.604 1.00 0.00 C ATOM 933 CD GLU A 63 2.570 -0.301 8.511 1.00 0.00 C ATOM 934 OE1 GLU A 63 2.643 -1.442 8.009 1.00 0.00 O ATOM 935 OE2 GLU A 63 2.766 -0.072 9.723 1.00 0.00 O ATOM 0 H GLU A 63 -0.640 3.534 6.463 1.00 0.00 H new ATOM 0 HA GLU A 63 1.110 1.500 5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.328 1.615 8.246 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.251 0.054 7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.695 0.715 6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.641 1.781 8.022 1.00 0.00 H new ATOM 942 N LEU A 64 -0.951 0.450 4.494 1.00 0.00 N ATOM 943 CA LEU A 64 -2.160 -0.122 3.912 1.00 0.00 C ATOM 944 C LEU A 64 -2.172 -1.639 4.064 1.00 0.00 C ATOM 945 O LEU A 64 -1.265 -2.326 3.596 1.00 0.00 O ATOM 946 CB LEU A 64 -2.265 0.255 2.433 1.00 0.00 C ATOM 947 CG LEU A 64 -3.194 -0.612 1.584 1.00 0.00 C ATOM 948 CD1 LEU A 64 -4.543 -0.777 2.267 1.00 0.00 C ATOM 949 CD2 LEU A 64 -3.367 -0.010 0.197 1.00 0.00 C ATOM 0 H LEU A 64 -0.095 0.237 3.982 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.019 0.285 4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.603 1.289 2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.267 0.217 1.997 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.741 -1.598 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.191 -1.397 1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.404 -1.254 3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.002 0.202 2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.032 -0.641 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.797 0.988 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.397 0.055 -0.295 1.00 0.00 H new ATOM 961 N GLN A 65 -3.208 -2.155 4.719 1.00 0.00 N ATOM 962 CA GLN A 65 -3.339 -3.592 4.931 1.00 0.00 C ATOM 963 C GLN A 65 -4.414 -4.180 4.023 1.00 0.00 C ATOM 964 O GLN A 65 -5.453 -3.560 3.794 1.00 0.00 O ATOM 965 CB GLN A 65 -3.673 -3.884 6.394 1.00 0.00 C ATOM 966 CG GLN A 65 -3.264 -5.278 6.845 1.00 0.00 C ATOM 967 CD GLN A 65 -4.095 -5.782 8.008 1.00 0.00 C ATOM 968 OE1 GLN A 65 -5.325 -5.727 7.978 1.00 0.00 O ATOM 969 NE2 GLN A 65 -3.426 -6.277 9.043 1.00 0.00 N ATOM 0 H GLN A 65 -3.968 -1.600 5.112 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.386 -4.059 4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.177 -3.147 7.025 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.746 -3.763 6.544 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.360 -5.969 6.008 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.212 -5.269 7.132 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.406 -6.303 9.026 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.932 -6.631 9.855 1.00 0.00 H new ATOM 978 N ILE A 66 -4.158 -5.378 3.511 1.00 0.00 N ATOM 979 CA ILE A 66 -5.106 -6.050 2.629 1.00 0.00 C ATOM 980 C ILE A 66 -5.184 -7.541 2.940 1.00 0.00 C ATOM 981 O ILE A 66 -4.203 -8.269 2.787 1.00 0.00 O ATOM 982 CB ILE A 66 -4.725 -5.865 1.148 1.00 0.00 C ATOM 983 CG1 ILE A 66 -4.797 -4.386 0.762 1.00 0.00 C ATOM 984 CG2 ILE A 66 -5.639 -6.695 0.259 1.00 0.00 C ATOM 985 CD1 ILE A 66 -4.052 -4.058 -0.513 1.00 0.00 C ATOM 0 H ILE A 66 -3.303 -5.904 3.691 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.080 -5.593 2.805 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.701 -6.209 1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.842 -4.099 0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.390 -3.786 1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.358 -6.554 -0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.543 -7.749 0.521 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.672 -6.378 0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.146 -2.993 -0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.999 -4.313 -0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.474 -4.631 -1.339 1.00 0.00 H new ATOM 997 N CYS A 67 -6.357 -7.988 3.374 1.00 0.00 N ATOM 998 CA CYS A 67 -6.564 -9.393 3.706 1.00 0.00 C ATOM 999 C CYS A 67 -6.992 -10.185 2.474 1.00 0.00 C ATOM 1000 O CYS A 67 -7.325 -9.610 1.439 1.00 0.00 O ATOM 1001 CB CYS A 67 -7.617 -9.529 4.806 1.00 0.00 C ATOM 1002 SG CYS A 67 -9.313 -9.664 4.193 1.00 0.00 S ATOM 0 H CYS A 67 -7.179 -7.398 3.504 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.619 -9.799 4.066 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.388 -10.410 5.406 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -7.549 -8.666 5.468 1.00 0.00 H new ATOM 0 HG CYS A 67 -10.053 -10.247 5.089 1.00 0.00 H new ATOM 1008 N GLY A 68 -6.980 -11.509 2.594 1.00 0.00 N ATOM 1009 CA GLY A 68 -7.367 -12.358 1.483 1.00 0.00 C ATOM 1010 C GLY A 68 -6.640 -12.003 0.201 1.00 0.00 C ATOM 1011 O GLY A 68 -7.268 -11.689 -0.811 1.00 0.00 O ATOM 0 H GLY A 68 -6.709 -12.009 3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.163 -13.398 1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.442 -12.274 1.323 1.00 0.00 H new ATOM 1015 N LEU A 69 -5.313 -12.051 0.243 1.00 0.00 N ATOM 1016 CA LEU A 69 -4.499 -11.731 -0.924 1.00 0.00 C ATOM 1017 C LEU A 69 -4.798 -12.686 -2.075 1.00 0.00 C ATOM 1018 O LEU A 69 -5.290 -13.794 -1.864 1.00 0.00 O ATOM 1019 CB LEU A 69 -3.013 -11.795 -0.566 1.00 0.00 C ATOM 1020 CG LEU A 69 -2.409 -10.520 0.024 1.00 0.00 C ATOM 1021 CD1 LEU A 69 -1.015 -10.791 0.567 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -2.372 -9.414 -1.020 1.00 0.00 C ATOM 0 H LEU A 69 -4.778 -12.308 1.072 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.747 -10.719 -1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.866 -12.606 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.454 -12.056 -1.465 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.040 -10.191 0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.601 -9.872 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.070 -11.550 1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.373 -11.146 -0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.939 -8.515 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.765 -9.733 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.385 -9.200 -1.360 1.00 0.00 H new ATOM 1034 N ALA A 70 -4.495 -12.249 -3.293 1.00 0.00 N ATOM 1035 CA ALA A 70 -4.727 -13.066 -4.478 1.00 0.00 C ATOM 1036 C ALA A 70 -3.780 -12.677 -5.608 1.00 0.00 C ATOM 1037 O ALA A 70 -3.539 -11.494 -5.850 1.00 0.00 O ATOM 1038 CB ALA A 70 -6.174 -12.938 -4.932 1.00 0.00 C ATOM 0 H ALA A 70 -4.088 -11.334 -3.485 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.530 -14.106 -4.216 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.333 -13.553 -5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.837 -13.273 -4.134 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.390 -11.896 -5.170 1.00 0.00 H new ATOM 1044 N VAL A 71 -3.243 -13.680 -6.296 1.00 0.00 N ATOM 1045 CA VAL A 71 -2.322 -13.442 -7.400 1.00 0.00 C ATOM 1046 C VAL A 71 -2.865 -12.381 -8.350 1.00 0.00 C ATOM 1047 O VAL A 71 -2.104 -11.708 -9.046 1.00 0.00 O ATOM 1048 CB VAL A 71 -2.051 -14.735 -8.193 1.00 0.00 C ATOM 1049 CG1 VAL A 71 -1.198 -14.441 -9.418 1.00 0.00 C ATOM 1050 CG2 VAL A 71 -1.383 -15.774 -7.305 1.00 0.00 C ATOM 0 H VAL A 71 -3.430 -14.665 -6.108 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.388 -13.090 -6.963 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.005 -15.139 -8.532 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.017 -15.366 -9.966 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.719 -13.733 -10.063 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.246 -14.013 -9.104 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.199 -16.681 -7.881 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.436 -15.381 -6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.035 -16.006 -6.462 1.00 0.00 H new ATOM 1060 N ALA A 72 -4.185 -12.235 -8.374 1.00 0.00 N ATOM 1061 CA ALA A 72 -4.831 -11.254 -9.236 1.00 0.00 C ATOM 1062 C ALA A 72 -4.671 -9.843 -8.678 1.00 0.00 C ATOM 1063 O ALA A 72 -4.578 -8.874 -9.432 1.00 0.00 O ATOM 1064 CB ALA A 72 -6.304 -11.591 -9.410 1.00 0.00 C ATOM 0 H ALA A 72 -4.829 -12.785 -7.805 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.345 -11.289 -10.211 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.773 -10.849 -10.056 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.400 -12.578 -9.861 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.796 -11.587 -8.437 1.00 0.00 H new ATOM 1070 N ASP A 73 -4.642 -9.736 -7.355 1.00 0.00 N ATOM 1071 CA ASP A 73 -4.494 -8.444 -6.696 1.00 0.00 C ATOM 1072 C ASP A 73 -3.163 -7.795 -7.065 1.00 0.00 C ATOM 1073 O ASP A 73 -3.041 -6.571 -7.081 1.00 0.00 O ATOM 1074 CB ASP A 73 -4.592 -8.607 -5.178 1.00 0.00 C ATOM 1075 CG ASP A 73 -5.829 -9.376 -4.758 1.00 0.00 C ATOM 1076 OD1 ASP A 73 -6.807 -9.398 -5.535 1.00 0.00 O ATOM 1077 OD2 ASP A 73 -5.819 -9.956 -3.652 1.00 0.00 O ATOM 0 H ASP A 73 -4.719 -10.528 -6.717 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.301 -7.796 -7.037 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.705 -9.124 -4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.603 -7.623 -4.710 1.00 0.00 H new ATOM 1082 N ALA A 74 -2.168 -8.625 -7.360 1.00 0.00 N ATOM 1083 CA ALA A 74 -0.847 -8.132 -7.729 1.00 0.00 C ATOM 1084 C ALA A 74 -0.928 -7.184 -8.921 1.00 0.00 C ATOM 1085 O ALA A 74 -1.709 -7.400 -9.846 1.00 0.00 O ATOM 1086 CB ALA A 74 0.082 -9.296 -8.041 1.00 0.00 C ATOM 0 H ALA A 74 -2.252 -9.642 -7.351 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.444 -7.576 -6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.065 -8.913 -8.315 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.173 -9.934 -7.162 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.326 -9.875 -8.869 1.00 0.00 H new ATOM 1092 N GLY A 75 -0.115 -6.132 -8.890 1.00 0.00 N ATOM 1093 CA GLY A 75 -0.112 -5.166 -9.973 1.00 0.00 C ATOM 1094 C GLY A 75 0.719 -3.939 -9.653 1.00 0.00 C ATOM 1095 O GLY A 75 1.923 -3.914 -9.906 1.00 0.00 O ATOM 0 H GLY A 75 0.541 -5.932 -8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.275 -5.638 -10.876 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.136 -4.862 -10.187 1.00 0.00 H new ATOM 1099 N GLU A 76 0.074 -2.918 -9.097 1.00 0.00 N ATOM 1100 CA GLU A 76 0.762 -1.682 -8.745 1.00 0.00 C ATOM 1101 C GLU A 76 -0.127 -0.792 -7.881 1.00 0.00 C ATOM 1102 O GLU A 76 -1.212 -0.387 -8.299 1.00 0.00 O ATOM 1103 CB GLU A 76 1.183 -0.928 -10.008 1.00 0.00 C ATOM 1104 CG GLU A 76 1.717 0.468 -9.735 1.00 0.00 C ATOM 1105 CD GLU A 76 2.128 1.193 -11.002 1.00 0.00 C ATOM 1106 OE1 GLU A 76 3.206 0.875 -11.545 1.00 0.00 O ATOM 1107 OE2 GLU A 76 1.370 2.079 -11.449 1.00 0.00 O ATOM 0 H GLU A 76 -0.923 -2.923 -8.881 1.00 0.00 H new ATOM 0 HA GLU A 76 1.652 -1.943 -8.173 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.948 -1.505 -10.527 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.328 -0.856 -10.680 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.954 1.050 -9.219 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.574 0.401 -9.065 1.00 0.00 H new ATOM 1114 N TYR A 77 0.341 -0.492 -6.674 1.00 0.00 N ATOM 1115 CA TYR A 77 -0.412 0.348 -5.750 1.00 0.00 C ATOM 1116 C TYR A 77 0.232 1.724 -5.616 1.00 0.00 C ATOM 1117 O TYR A 77 1.448 1.841 -5.464 1.00 0.00 O ATOM 1118 CB TYR A 77 -0.501 -0.322 -4.377 1.00 0.00 C ATOM 1119 CG TYR A 77 -1.369 -1.560 -4.362 1.00 0.00 C ATOM 1120 CD1 TYR A 77 -1.095 -2.634 -5.199 1.00 0.00 C ATOM 1121 CD2 TYR A 77 -2.462 -1.655 -3.510 1.00 0.00 C ATOM 1122 CE1 TYR A 77 -1.886 -3.767 -5.189 1.00 0.00 C ATOM 1123 CE2 TYR A 77 -3.258 -2.784 -3.493 1.00 0.00 C ATOM 1124 CZ TYR A 77 -2.966 -3.837 -4.334 1.00 0.00 C ATOM 1125 OH TYR A 77 -3.755 -4.964 -4.321 1.00 0.00 O ATOM 0 H TYR A 77 1.238 -0.818 -6.313 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.417 0.475 -6.151 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.503 -0.588 -4.046 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.894 0.396 -3.657 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.249 -2.583 -5.869 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.693 -0.832 -2.850 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.660 -4.593 -5.847 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.104 -2.842 -2.825 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.582 -5.493 -5.127 1.00 0.00 H new ATOM 1135 N SER A 78 -0.594 2.764 -5.672 1.00 0.00 N ATOM 1136 CA SER A 78 -0.106 4.134 -5.561 1.00 0.00 C ATOM 1137 C SER A 78 -0.693 4.821 -4.331 1.00 0.00 C ATOM 1138 O SER A 78 -1.809 4.516 -3.909 1.00 0.00 O ATOM 1139 CB SER A 78 -0.460 4.928 -6.820 1.00 0.00 C ATOM 1140 OG SER A 78 -0.537 4.080 -7.952 1.00 0.00 O ATOM 0 H SER A 78 -1.604 2.684 -5.793 1.00 0.00 H new ATOM 0 HA SER A 78 0.978 4.100 -5.455 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.413 5.437 -6.677 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.291 5.700 -6.990 1.00 0.00 H new ATOM 0 HG SER A 78 -0.766 4.611 -8.743 1.00 0.00 H new ATOM 1146 N CYS A 79 0.067 5.750 -3.762 1.00 0.00 N ATOM 1147 CA CYS A 79 -0.377 6.481 -2.580 1.00 0.00 C ATOM 1148 C CYS A 79 -0.371 7.985 -2.836 1.00 0.00 C ATOM 1149 O CYS A 79 0.689 8.599 -2.963 1.00 0.00 O ATOM 1150 CB CYS A 79 0.520 6.152 -1.385 1.00 0.00 C ATOM 1151 SG CYS A 79 -0.268 6.410 0.222 1.00 0.00 S ATOM 0 H CYS A 79 0.992 6.015 -4.099 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.398 6.173 -2.355 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.839 5.112 -1.459 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.419 6.766 -1.439 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.698 5.273 0.682 1.00 0.00 H new ATOM 1157 N VAL A 80 -1.561 8.571 -2.913 1.00 0.00 N ATOM 1158 CA VAL A 80 -1.693 10.003 -3.156 1.00 0.00 C ATOM 1159 C VAL A 80 -1.866 10.768 -1.848 1.00 0.00 C ATOM 1160 O VAL A 80 -2.628 10.356 -0.972 1.00 0.00 O ATOM 1161 CB VAL A 80 -2.889 10.308 -4.078 1.00 0.00 C ATOM 1162 CG1 VAL A 80 -2.868 11.765 -4.514 1.00 0.00 C ATOM 1163 CG2 VAL A 80 -2.881 9.381 -5.284 1.00 0.00 C ATOM 0 H VAL A 80 -2.447 8.077 -2.811 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.775 10.327 -3.645 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.810 10.134 -3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.720 11.962 -5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.925 12.408 -3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.944 11.970 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.733 9.610 -5.925 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.957 9.521 -5.845 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.948 8.346 -4.948 1.00 0.00 H new ATOM 1173 N CYS A 81 -1.155 11.883 -1.723 1.00 0.00 N ATOM 1174 CA CYS A 81 -1.229 12.707 -0.522 1.00 0.00 C ATOM 1175 C CYS A 81 -1.838 14.069 -0.834 1.00 0.00 C ATOM 1176 O CYS A 81 -2.594 14.620 -0.035 1.00 0.00 O ATOM 1177 CB CYS A 81 0.163 12.884 0.086 1.00 0.00 C ATOM 1178 SG CYS A 81 0.163 13.677 1.711 1.00 0.00 S ATOM 0 H CYS A 81 -0.521 12.237 -2.439 1.00 0.00 H new ATOM 0 HA CYS A 81 -1.870 12.199 0.198 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.638 11.907 0.171 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.773 13.477 -0.596 1.00 0.00 H new ATOM 0 HG CYS A 81 -0.976 13.462 2.299 1.00 0.00 H new ATOM 1184 N GLY A 82 -1.503 14.609 -2.002 1.00 0.00 N ATOM 1185 CA GLY A 82 -2.024 15.904 -2.398 1.00 0.00 C ATOM 1186 C GLY A 82 -1.579 16.307 -3.790 1.00 0.00 C ATOM 1187 O GLY A 82 -2.391 16.375 -4.712 1.00 0.00 O ATOM 0 H GLY A 82 -0.880 14.172 -2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.113 15.881 -2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.696 16.658 -1.683 1.00 0.00 H new ATOM 1191 N GLU A 83 -0.286 16.577 -3.941 1.00 0.00 N ATOM 1192 CA GLU A 83 0.264 16.978 -5.230 1.00 0.00 C ATOM 1193 C GLU A 83 1.142 15.875 -5.814 1.00 0.00 C ATOM 1194 O GLU A 83 1.135 15.636 -7.021 1.00 0.00 O ATOM 1195 CB GLU A 83 1.074 18.268 -5.085 1.00 0.00 C ATOM 1196 CG GLU A 83 0.229 19.483 -4.742 1.00 0.00 C ATOM 1197 CD GLU A 83 0.989 20.785 -4.898 1.00 0.00 C ATOM 1198 OE1 GLU A 83 1.783 20.897 -5.856 1.00 0.00 O ATOM 1199 OE2 GLU A 83 0.791 21.692 -4.063 1.00 0.00 O ATOM 0 H GLU A 83 0.399 16.525 -3.187 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.568 17.155 -5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.827 18.129 -4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.608 18.458 -6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.651 19.501 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.127 19.395 -3.716 1.00 0.00 H new ATOM 1206 N GLU A 84 1.897 15.207 -4.948 1.00 0.00 N ATOM 1207 CA GLU A 84 2.782 14.131 -5.378 1.00 0.00 C ATOM 1208 C GLU A 84 2.220 12.771 -4.975 1.00 0.00 C ATOM 1209 O GLU A 84 1.478 12.659 -3.999 1.00 0.00 O ATOM 1210 CB GLU A 84 4.177 14.317 -4.778 1.00 0.00 C ATOM 1211 CG GLU A 84 4.754 15.706 -4.996 1.00 0.00 C ATOM 1212 CD GLU A 84 4.571 16.196 -6.420 1.00 0.00 C ATOM 1213 OE1 GLU A 84 3.449 16.630 -6.757 1.00 0.00 O ATOM 1214 OE2 GLU A 84 5.548 16.146 -7.195 1.00 0.00 O ATOM 0 H GLU A 84 1.914 15.392 -3.945 1.00 0.00 H new ATOM 0 HA GLU A 84 2.855 14.167 -6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.133 14.115 -3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.852 13.580 -5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.276 16.406 -4.310 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.816 15.697 -4.752 1.00 0.00 H new ATOM 1221 N ARG A 85 2.579 11.740 -5.733 1.00 0.00 N ATOM 1222 CA ARG A 85 2.110 10.388 -5.457 1.00 0.00 C ATOM 1223 C ARG A 85 3.155 9.355 -5.869 1.00 0.00 C ATOM 1224 O ARG A 85 3.851 9.525 -6.871 1.00 0.00 O ATOM 1225 CB ARG A 85 0.796 10.121 -6.193 1.00 0.00 C ATOM 1226 CG ARG A 85 0.322 8.680 -6.090 1.00 0.00 C ATOM 1227 CD ARG A 85 -0.520 8.284 -7.292 1.00 0.00 C ATOM 1228 NE ARG A 85 0.301 7.807 -8.402 1.00 0.00 N ATOM 1229 CZ ARG A 85 -0.139 7.703 -9.651 1.00 0.00 C ATOM 1230 NH1 ARG A 85 -1.387 8.041 -9.947 1.00 0.00 N ATOM 1231 NH2 ARG A 85 0.669 7.261 -10.606 1.00 0.00 N ATOM 0 H ARG A 85 3.194 11.816 -6.544 1.00 0.00 H new ATOM 0 HA ARG A 85 1.942 10.301 -4.384 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.024 10.778 -5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.919 10.380 -7.245 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.184 8.017 -6.014 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.261 8.552 -5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.224 7.504 -7.001 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.110 9.140 -7.619 1.00 0.00 H new ATOM 0 HE ARG A 85 1.266 7.539 -8.207 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.010 8.381 -9.215 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.723 7.961 -10.907 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.629 7.001 -10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.330 7.182 -11.565 1.00 0.00 H new ATOM 1245 N THR A 86 3.261 8.284 -5.088 1.00 0.00 N ATOM 1246 CA THR A 86 4.221 7.225 -5.370 1.00 0.00 C ATOM 1247 C THR A 86 3.515 5.931 -5.758 1.00 0.00 C ATOM 1248 O THR A 86 2.290 5.835 -5.683 1.00 0.00 O ATOM 1249 CB THR A 86 5.132 6.955 -4.158 1.00 0.00 C ATOM 1250 OG1 THR A 86 6.067 5.916 -4.469 1.00 0.00 O ATOM 1251 CG2 THR A 86 4.310 6.558 -2.941 1.00 0.00 C ATOM 0 H THR A 86 2.693 8.128 -4.255 1.00 0.00 H new ATOM 0 HA THR A 86 4.832 7.567 -6.206 1.00 0.00 H new ATOM 0 HB THR A 86 5.674 7.872 -3.927 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.702 5.052 -4.185 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.975 6.372 -2.098 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.621 7.364 -2.689 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.745 5.653 -3.163 1.00 0.00 H new ATOM 1259 N SER A 87 4.295 4.938 -6.173 1.00 0.00 N ATOM 1260 CA SER A 87 3.743 3.650 -6.576 1.00 0.00 C ATOM 1261 C SER A 87 4.695 2.514 -6.216 1.00 0.00 C ATOM 1262 O SER A 87 5.912 2.696 -6.186 1.00 0.00 O ATOM 1263 CB SER A 87 3.463 3.639 -8.080 1.00 0.00 C ATOM 1264 OG SER A 87 4.479 4.323 -8.793 1.00 0.00 O ATOM 0 H SER A 87 5.311 5.001 -6.239 1.00 0.00 H new ATOM 0 HA SER A 87 2.807 3.500 -6.038 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.396 2.610 -8.433 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.498 4.107 -8.277 1.00 0.00 H new ATOM 0 HG SER A 87 4.278 4.300 -9.752 1.00 0.00 H new ATOM 1270 N ALA A 88 4.132 1.341 -5.944 1.00 0.00 N ATOM 1271 CA ALA A 88 4.930 0.175 -5.588 1.00 0.00 C ATOM 1272 C ALA A 88 4.318 -1.102 -6.154 1.00 0.00 C ATOM 1273 O ALA A 88 3.177 -1.448 -5.844 1.00 0.00 O ATOM 1274 CB ALA A 88 5.068 0.071 -4.076 1.00 0.00 C ATOM 0 H ALA A 88 3.126 1.174 -5.964 1.00 0.00 H new ATOM 0 HA ALA A 88 5.921 0.297 -6.025 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.667 -0.805 -3.825 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.557 0.967 -3.693 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.080 -0.024 -3.626 1.00 0.00 H new ATOM 1280 N THR A 89 5.083 -1.801 -6.987 1.00 0.00 N ATOM 1281 CA THR A 89 4.616 -3.039 -7.597 1.00 0.00 C ATOM 1282 C THR A 89 4.470 -4.144 -6.557 1.00 0.00 C ATOM 1283 O THR A 89 5.451 -4.573 -5.950 1.00 0.00 O ATOM 1284 CB THR A 89 5.574 -3.516 -8.705 1.00 0.00 C ATOM 1285 OG1 THR A 89 5.857 -2.439 -9.606 1.00 0.00 O ATOM 1286 CG2 THR A 89 4.975 -4.683 -9.474 1.00 0.00 C ATOM 0 H THR A 89 6.029 -1.530 -7.254 1.00 0.00 H new ATOM 0 HA THR A 89 3.641 -2.826 -8.036 1.00 0.00 H new ATOM 0 HB THR A 89 6.500 -3.849 -8.235 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.468 -2.750 -10.306 1.00 0.00 H new ATOM 0 HG21 THR A 89 5.670 -5.002 -10.251 1.00 0.00 H new ATOM 0 HG22 THR A 89 4.789 -5.512 -8.791 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.036 -4.373 -9.932 1.00 0.00 H new ATOM 1294 N LEU A 90 3.239 -4.603 -6.357 1.00 0.00 N ATOM 1295 CA LEU A 90 2.964 -5.660 -5.391 1.00 0.00 C ATOM 1296 C LEU A 90 2.976 -7.029 -6.063 1.00 0.00 C ATOM 1297 O LEU A 90 2.143 -7.319 -6.922 1.00 0.00 O ATOM 1298 CB LEU A 90 1.611 -5.422 -4.716 1.00 0.00 C ATOM 1299 CG LEU A 90 1.053 -6.589 -3.901 1.00 0.00 C ATOM 1300 CD1 LEU A 90 1.946 -6.880 -2.705 1.00 0.00 C ATOM 1301 CD2 LEU A 90 -0.369 -6.292 -3.449 1.00 0.00 C ATOM 0 H LEU A 90 2.416 -4.259 -6.851 1.00 0.00 H new ATOM 0 HA LEU A 90 3.749 -5.640 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.702 -4.557 -4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.884 -5.162 -5.486 1.00 0.00 H new ATOM 0 HG LEU A 90 1.033 -7.474 -4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.533 -7.713 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.947 -7.138 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.999 -5.997 -2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.750 -7.133 -2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.374 -5.394 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.003 -6.135 -4.322 1.00 0.00 H new ATOM 1313 N THR A 91 3.926 -7.870 -5.664 1.00 0.00 N ATOM 1314 CA THR A 91 4.046 -9.209 -6.227 1.00 0.00 C ATOM 1315 C THR A 91 3.420 -10.250 -5.306 1.00 0.00 C ATOM 1316 O THR A 91 3.757 -10.332 -4.125 1.00 0.00 O ATOM 1317 CB THR A 91 5.519 -9.582 -6.478 1.00 0.00 C ATOM 1318 OG1 THR A 91 6.100 -8.677 -7.423 1.00 0.00 O ATOM 1319 CG2 THR A 91 5.635 -11.008 -6.996 1.00 0.00 C ATOM 0 H THR A 91 4.623 -7.647 -4.953 1.00 0.00 H new ATOM 0 HA THR A 91 3.513 -9.202 -7.178 1.00 0.00 H new ATOM 0 HB THR A 91 6.055 -9.511 -5.532 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.037 -8.920 -7.575 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.684 -11.249 -7.166 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.219 -11.697 -6.261 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.085 -11.101 -7.933 1.00 0.00 H new ATOM 1327 N VAL A 92 2.506 -11.045 -5.855 1.00 0.00 N ATOM 1328 CA VAL A 92 1.834 -12.083 -5.083 1.00 0.00 C ATOM 1329 C VAL A 92 2.355 -13.467 -5.452 1.00 0.00 C ATOM 1330 O VAL A 92 2.679 -13.733 -6.610 1.00 0.00 O ATOM 1331 CB VAL A 92 0.309 -12.046 -5.302 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -0.361 -13.212 -4.591 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -0.265 -10.720 -4.826 1.00 0.00 C ATOM 0 H VAL A 92 2.215 -10.990 -6.831 1.00 0.00 H new ATOM 0 HA VAL A 92 2.049 -11.885 -4.033 1.00 0.00 H new ATOM 0 HB VAL A 92 0.110 -12.140 -6.370 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.437 -13.169 -4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.030 -14.151 -4.984 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.156 -13.153 -3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.343 -10.711 -4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.057 -10.594 -3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.193 -9.904 -5.385 1.00 0.00 H new ATOM 1343 N LYS A 93 2.435 -14.347 -4.460 1.00 0.00 N ATOM 1344 CA LYS A 93 2.916 -15.706 -4.678 1.00 0.00 C ATOM 1345 C LYS A 93 1.807 -16.723 -4.427 1.00 0.00 C ATOM 1346 O LYS A 93 0.807 -16.417 -3.777 1.00 0.00 O ATOM 1347 CB LYS A 93 4.108 -16.000 -3.765 1.00 0.00 C ATOM 1348 CG LYS A 93 5.301 -15.093 -4.011 1.00 0.00 C ATOM 1349 CD LYS A 93 5.931 -15.357 -5.369 1.00 0.00 C ATOM 1350 CE LYS A 93 5.381 -14.416 -6.430 1.00 0.00 C ATOM 1351 NZ LYS A 93 6.397 -14.101 -7.473 1.00 0.00 N ATOM 0 H LYS A 93 2.172 -14.143 -3.496 1.00 0.00 H new ATOM 0 HA LYS A 93 3.233 -15.790 -5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.793 -15.898 -2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.415 -17.036 -3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.986 -14.051 -3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.044 -15.247 -3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.012 -15.237 -5.299 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.743 -16.389 -5.664 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.507 -14.869 -6.899 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.047 -13.492 -5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.983 -13.457 -8.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.220 -13.646 -7.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.698 -14.980 -7.941 1.00 0.00 H new ATOM 1365 N ALA A 94 1.991 -17.933 -4.944 1.00 0.00 N ATOM 1366 CA ALA A 94 1.008 -18.995 -4.773 1.00 0.00 C ATOM 1367 C ALA A 94 1.306 -19.824 -3.528 1.00 0.00 C ATOM 1368 O ALA A 94 2.259 -20.603 -3.503 1.00 0.00 O ATOM 1369 CB ALA A 94 0.972 -19.885 -6.006 1.00 0.00 C ATOM 0 H ALA A 94 2.813 -18.202 -5.485 1.00 0.00 H new ATOM 0 HA ALA A 94 0.029 -18.533 -4.644 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.233 -20.674 -5.864 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.703 -19.288 -6.878 1.00 0.00 H new ATOM 0 HB3 ALA A 94 1.954 -20.331 -6.161 1.00 0.00 H new