USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 593 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 Single : A 8 ASN : amide:sc= -2.21! C(o=-2.2!,f=-3.2!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.836 K(o=-0.84,f=0) USER MOD Single : A 29 GLN : amide:sc=-0.00545 X(o=-0.0054,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -1.79 USER MOD Single : A 37 THR OG1 : rot 70:sc= 1.02 USER MOD Single : A 40 SER OG : rot 140:sc= -0.775 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.773 X(o=-0.77,f=-0.34) USER MOD Single : A 48 CYS SG : rot 7:sc= 0.0284 USER MOD Single : A 61 THR OG1 : rot -139:sc= 0.112 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 168:sc= -2.8 (180deg=-2.98) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -5.1! C(o=-5.1!,f=-7.5!) USER MOD Single : A 70 GLN : amide:sc= -2.12 K(o=-2.1,f=-2.7!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.56) USER MOD Single : A 81 CYS SG : rot 180:sc= -0.312 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -14.833 2.506 -2.490 1.00 0.00 N ATOM 60 CA GLY A 7 -14.175 1.682 -3.488 1.00 0.00 C ATOM 61 C GLY A 7 -13.200 0.697 -2.875 1.00 0.00 C ATOM 62 O GLY A 7 -12.290 1.087 -2.145 1.00 0.00 O ATOM 0 HA2 GLY A 7 -14.927 1.137 -4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.645 2.323 -4.192 1.00 0.00 H new ATOM 66 N ASN A 8 -13.391 -0.585 -3.171 1.00 0.00 N ATOM 67 CA ASN A 8 -12.522 -1.629 -2.641 1.00 0.00 C ATOM 68 C ASN A 8 -11.532 -2.102 -3.701 1.00 0.00 C ATOM 69 O ASN A 8 -11.865 -2.188 -4.883 1.00 0.00 O ATOM 70 CB ASN A 8 -13.356 -2.811 -2.143 1.00 0.00 C ATOM 71 CG ASN A 8 -12.641 -4.137 -2.318 1.00 0.00 C ATOM 72 OD1 ASN A 8 -12.097 -4.693 -1.363 1.00 0.00 O ATOM 73 ND2 ASN A 8 -12.639 -4.651 -3.542 1.00 0.00 N ATOM 0 H ASN A 8 -14.139 -0.925 -3.775 1.00 0.00 H new ATOM 0 HA ASN A 8 -11.961 -1.211 -1.805 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -13.594 -2.666 -1.089 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.303 -2.838 -2.683 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -12.174 -5.541 -3.721 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -13.102 -4.156 -4.304 1.00 0.00 H new ATOM 80 N VAL A 9 -10.312 -2.407 -3.270 1.00 0.00 N ATOM 81 CA VAL A 9 -9.273 -2.873 -4.181 1.00 0.00 C ATOM 82 C VAL A 9 -8.425 -3.964 -3.536 1.00 0.00 C ATOM 83 O VAL A 9 -7.590 -3.688 -2.675 1.00 0.00 O ATOM 84 CB VAL A 9 -8.355 -1.718 -4.623 1.00 0.00 C ATOM 85 CG1 VAL A 9 -7.247 -2.234 -5.528 1.00 0.00 C ATOM 86 CG2 VAL A 9 -9.162 -0.633 -5.319 1.00 0.00 C ATOM 0 H VAL A 9 -10.019 -2.340 -2.295 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.779 -3.280 -5.056 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.894 -1.283 -3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.608 -1.404 -5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.652 -2.972 -4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.685 -2.696 -6.413 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.498 0.175 -5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.652 -1.052 -6.198 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.915 -0.244 -4.634 1.00 0.00 H new ATOM 96 N VAL A 10 -8.645 -5.205 -3.958 1.00 0.00 N ATOM 97 CA VAL A 10 -7.900 -6.338 -3.423 1.00 0.00 C ATOM 98 C VAL A 10 -6.928 -6.894 -4.458 1.00 0.00 C ATOM 99 O VAL A 10 -7.328 -7.594 -5.389 1.00 0.00 O ATOM 100 CB VAL A 10 -8.845 -7.465 -2.965 1.00 0.00 C ATOM 101 CG1 VAL A 10 -8.145 -8.376 -1.969 1.00 0.00 C ATOM 102 CG2 VAL A 10 -10.116 -6.883 -2.366 1.00 0.00 C ATOM 0 H VAL A 10 -9.334 -5.451 -4.669 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.340 -5.971 -2.563 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.121 -8.061 -3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.828 -9.166 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.266 -8.820 -2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.839 -7.796 -1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.772 -7.693 -2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.862 -6.263 -1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.626 -6.276 -3.114 1.00 0.00 H new ATOM 112 N LEU A 11 -5.648 -6.579 -4.288 1.00 0.00 N ATOM 113 CA LEU A 11 -4.617 -7.048 -5.207 1.00 0.00 C ATOM 114 C LEU A 11 -3.993 -8.347 -4.708 1.00 0.00 C ATOM 115 O LEU A 11 -3.699 -8.509 -3.523 1.00 0.00 O ATOM 116 CB LEU A 11 -3.534 -5.981 -5.376 1.00 0.00 C ATOM 117 CG LEU A 11 -4.029 -4.556 -5.627 1.00 0.00 C ATOM 118 CD1 LEU A 11 -2.860 -3.584 -5.663 1.00 0.00 C ATOM 119 CD2 LEU A 11 -4.822 -4.488 -6.924 1.00 0.00 C ATOM 0 H LEU A 11 -5.300 -6.001 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.085 -7.239 -6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.914 -5.976 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.891 -6.273 -6.207 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.687 -4.270 -4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.231 -2.575 -5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.334 -3.613 -4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.176 -3.867 -6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.167 -3.467 -7.087 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.187 -4.793 -7.755 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.682 -5.155 -6.860 1.00 0.00 H new ATOM 131 N PRO A 12 -3.783 -9.296 -5.632 1.00 0.00 N ATOM 132 CA PRO A 12 -3.189 -10.597 -5.310 1.00 0.00 C ATOM 133 C PRO A 12 -1.713 -10.487 -4.947 1.00 0.00 C ATOM 134 O PRO A 12 -0.894 -10.060 -5.760 1.00 0.00 O ATOM 135 CB PRO A 12 -3.364 -11.396 -6.604 1.00 0.00 C ATOM 136 CG PRO A 12 -3.435 -10.367 -7.679 1.00 0.00 C ATOM 137 CD PRO A 12 -4.109 -9.172 -7.063 1.00 0.00 C ATOM 0 HA PRO A 12 -3.661 -11.057 -4.442 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.529 -12.078 -6.764 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.270 -12.002 -6.576 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.439 -10.110 -8.040 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.000 -10.735 -8.535 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.733 -8.238 -7.481 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.186 -9.186 -7.233 1.00 0.00 H new ATOM 145 N GLY A 13 -1.379 -10.875 -3.720 1.00 0.00 N ATOM 146 CA GLY A 13 0.000 -10.811 -3.271 1.00 0.00 C ATOM 147 C GLY A 13 0.634 -12.183 -3.152 1.00 0.00 C ATOM 148 O GLY A 13 0.132 -13.171 -3.688 1.00 0.00 O ATOM 0 H GLY A 13 -2.039 -11.232 -3.029 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.579 -10.206 -3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.041 -10.310 -2.304 1.00 0.00 H new ATOM 152 N PRO A 14 1.767 -12.255 -2.437 1.00 0.00 N ATOM 153 CA PRO A 14 2.374 -11.085 -1.796 1.00 0.00 C ATOM 154 C PRO A 14 2.961 -10.108 -2.809 1.00 0.00 C ATOM 155 O PRO A 14 2.776 -10.265 -4.015 1.00 0.00 O ATOM 156 CB PRO A 14 3.483 -11.690 -0.932 1.00 0.00 C ATOM 157 CG PRO A 14 3.824 -12.978 -1.599 1.00 0.00 C ATOM 158 CD PRO A 14 2.542 -13.485 -2.200 1.00 0.00 C ATOM 0 HA PRO A 14 1.644 -10.505 -1.232 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.349 -11.030 -0.880 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.144 -11.852 0.091 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.584 -12.831 -2.367 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.229 -13.693 -0.883 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.721 -14.032 -3.126 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.022 -14.164 -1.524 1.00 0.00 H new ATOM 166 N ALA A 15 3.669 -9.100 -2.310 1.00 0.00 N ATOM 167 CA ALA A 15 4.285 -8.099 -3.172 1.00 0.00 C ATOM 168 C ALA A 15 5.385 -8.715 -4.030 1.00 0.00 C ATOM 169 O ALA A 15 5.838 -9.835 -3.790 1.00 0.00 O ATOM 170 CB ALA A 15 4.841 -6.955 -2.338 1.00 0.00 C ATOM 0 H ALA A 15 3.830 -8.955 -1.313 1.00 0.00 H new ATOM 0 HA ALA A 15 3.517 -7.708 -3.839 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.298 -6.215 -2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.033 -6.490 -1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.591 -7.340 -1.647 1.00 0.00 H new ATOM 176 N PRO A 16 5.826 -7.970 -5.054 1.00 0.00 N ATOM 177 CA PRO A 16 5.294 -6.636 -5.348 1.00 0.00 C ATOM 178 C PRO A 16 3.863 -6.686 -5.873 1.00 0.00 C ATOM 179 O PRO A 16 3.307 -7.764 -6.086 1.00 0.00 O ATOM 180 CB PRO A 16 6.241 -6.107 -6.428 1.00 0.00 C ATOM 181 CG PRO A 16 6.790 -7.328 -7.082 1.00 0.00 C ATOM 182 CD PRO A 16 6.878 -8.371 -6.003 1.00 0.00 C ATOM 0 HA PRO A 16 5.249 -6.010 -4.457 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.713 -5.478 -7.144 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.035 -5.499 -5.995 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.143 -7.660 -7.894 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.771 -7.131 -7.516 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.703 -9.372 -6.397 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.861 -8.380 -5.533 1.00 0.00 H new ATOM 190 N TRP A 17 3.272 -5.515 -6.079 1.00 0.00 N ATOM 191 CA TRP A 17 1.905 -5.426 -6.580 1.00 0.00 C ATOM 192 C TRP A 17 1.888 -5.000 -8.044 1.00 0.00 C ATOM 193 O TRP A 17 1.326 -5.689 -8.894 1.00 0.00 O ATOM 194 CB TRP A 17 1.095 -4.438 -5.739 1.00 0.00 C ATOM 195 CG TRP A 17 1.150 -4.725 -4.269 1.00 0.00 C ATOM 196 CD1 TRP A 17 1.793 -3.990 -3.314 1.00 0.00 C ATOM 197 CD2 TRP A 17 0.540 -5.826 -3.587 1.00 0.00 C ATOM 198 NE1 TRP A 17 1.619 -4.568 -2.080 1.00 0.00 N ATOM 199 CE2 TRP A 17 0.854 -5.695 -2.220 1.00 0.00 C ATOM 200 CE3 TRP A 17 -0.242 -6.909 -3.998 1.00 0.00 C ATOM 201 CZ2 TRP A 17 0.413 -6.607 -1.265 1.00 0.00 C ATOM 202 CZ3 TRP A 17 -0.679 -7.813 -3.049 1.00 0.00 C ATOM 203 CH2 TRP A 17 -0.351 -7.658 -1.695 1.00 0.00 C ATOM 0 H TRP A 17 3.718 -4.614 -5.907 1.00 0.00 H new ATOM 0 HA TRP A 17 1.452 -6.414 -6.504 1.00 0.00 H new ATOM 0 HB2 TRP A 17 1.466 -3.429 -5.919 1.00 0.00 H new ATOM 0 HB3 TRP A 17 0.056 -4.459 -6.067 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.355 -3.087 -3.501 1.00 0.00 H new ATOM 0 HE1 TRP A 17 1.998 -4.215 -1.202 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.500 -7.037 -5.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 0.665 -6.489 -0.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -1.284 -8.654 -3.356 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.708 -8.382 -0.977 1.00 0.00 H new ATOM 214 N GLY A 18 2.507 -3.859 -8.331 1.00 0.00 N ATOM 215 CA GLY A 18 2.551 -3.361 -9.694 1.00 0.00 C ATOM 216 C GLY A 18 2.217 -1.885 -9.783 1.00 0.00 C ATOM 217 O GLY A 18 2.454 -1.249 -10.810 1.00 0.00 O ATOM 0 H GLY A 18 2.979 -3.271 -7.644 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.545 -3.531 -10.108 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.849 -3.927 -10.307 1.00 0.00 H new ATOM 221 N PHE A 19 1.663 -1.339 -8.705 1.00 0.00 N ATOM 222 CA PHE A 19 1.293 0.071 -8.667 1.00 0.00 C ATOM 223 C PHE A 19 2.301 0.875 -7.851 1.00 0.00 C ATOM 224 O PHE A 19 2.921 0.356 -6.923 1.00 0.00 O ATOM 225 CB PHE A 19 -0.108 0.236 -8.074 1.00 0.00 C ATOM 226 CG PHE A 19 -0.151 0.070 -6.582 1.00 0.00 C ATOM 227 CD1 PHE A 19 0.441 1.007 -5.750 1.00 0.00 C ATOM 228 CD2 PHE A 19 -0.783 -1.023 -6.012 1.00 0.00 C ATOM 229 CE1 PHE A 19 0.402 0.857 -4.376 1.00 0.00 C ATOM 230 CE2 PHE A 19 -0.825 -1.178 -4.639 1.00 0.00 C ATOM 231 CZ PHE A 19 -0.230 -0.238 -3.820 1.00 0.00 C ATOM 0 H PHE A 19 1.461 -1.852 -7.847 1.00 0.00 H new ATOM 0 HA PHE A 19 1.294 0.450 -9.689 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.489 1.224 -8.333 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.776 -0.493 -8.532 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.938 1.864 -6.180 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.248 -1.762 -6.647 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.865 1.595 -3.738 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.323 -2.034 -4.207 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.259 -0.359 -2.747 1.00 0.00 H new ATOM 241 N ARG A 20 2.459 2.147 -8.205 1.00 0.00 N ATOM 242 CA ARG A 20 3.392 3.023 -7.508 1.00 0.00 C ATOM 243 C ARG A 20 2.653 3.950 -6.547 1.00 0.00 C ATOM 244 O ARG A 20 1.422 3.963 -6.503 1.00 0.00 O ATOM 245 CB ARG A 20 4.197 3.850 -8.513 1.00 0.00 C ATOM 246 CG ARG A 20 4.553 3.089 -9.780 1.00 0.00 C ATOM 247 CD ARG A 20 5.563 1.988 -9.503 1.00 0.00 C ATOM 248 NE ARG A 20 6.826 2.518 -8.995 1.00 0.00 N ATOM 249 CZ ARG A 20 7.983 1.872 -9.084 1.00 0.00 C ATOM 250 NH1 ARG A 20 8.038 0.679 -9.659 1.00 0.00 N ATOM 251 NH2 ARG A 20 9.089 2.421 -8.598 1.00 0.00 N ATOM 0 H ARG A 20 1.953 2.593 -8.970 1.00 0.00 H new ATOM 0 HA ARG A 20 4.075 2.399 -6.931 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.625 4.738 -8.781 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.115 4.194 -8.036 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.650 2.656 -10.211 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.960 3.780 -10.519 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.146 1.288 -8.779 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.748 1.427 -10.419 1.00 0.00 H new ATOM 0 HE ARG A 20 6.819 3.435 -8.547 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.190 0.254 -10.035 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.928 0.186 -9.726 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.051 3.339 -8.156 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.977 1.925 -8.667 1.00 0.00 H new ATOM 265 N LEU A 21 3.412 4.724 -5.779 1.00 0.00 N ATOM 266 CA LEU A 21 2.829 5.654 -4.818 1.00 0.00 C ATOM 267 C LEU A 21 3.433 7.047 -4.973 1.00 0.00 C ATOM 268 O LEU A 21 4.566 7.196 -5.430 1.00 0.00 O ATOM 269 CB LEU A 21 3.048 5.148 -3.391 1.00 0.00 C ATOM 270 CG LEU A 21 4.368 4.421 -3.131 1.00 0.00 C ATOM 271 CD1 LEU A 21 5.546 5.294 -3.535 1.00 0.00 C ATOM 272 CD2 LEU A 21 4.477 4.019 -1.668 1.00 0.00 C ATOM 0 H LEU A 21 4.432 4.726 -5.803 1.00 0.00 H new ATOM 0 HA LEU A 21 1.759 5.717 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.985 5.998 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.229 4.475 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 21 4.388 3.516 -3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.477 4.761 -3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.476 5.531 -4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.531 6.217 -2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.423 3.503 -1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.435 4.910 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.651 3.355 -1.411 1.00 0.00 H new ATOM 284 N SER A 22 2.668 8.064 -4.588 1.00 0.00 N ATOM 285 CA SER A 22 3.127 9.444 -4.686 1.00 0.00 C ATOM 286 C SER A 22 2.469 10.312 -3.617 1.00 0.00 C ATOM 287 O SER A 22 1.363 10.025 -3.162 1.00 0.00 O ATOM 288 CB SER A 22 2.822 10.008 -6.075 1.00 0.00 C ATOM 289 OG SER A 22 3.778 10.985 -6.450 1.00 0.00 O ATOM 0 H SER A 22 1.728 7.958 -4.206 1.00 0.00 H new ATOM 0 HA SER A 22 4.205 9.455 -4.526 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.817 9.200 -6.806 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.825 10.449 -6.081 1.00 0.00 H new ATOM 0 HG SER A 22 3.562 11.329 -7.342 1.00 0.00 H new ATOM 295 N GLY A 23 3.160 11.377 -3.220 1.00 0.00 N ATOM 296 CA GLY A 23 2.629 12.271 -2.208 1.00 0.00 C ATOM 297 C GLY A 23 2.737 11.694 -0.810 1.00 0.00 C ATOM 298 O GLY A 23 3.481 10.742 -0.580 1.00 0.00 O ATOM 0 H GLY A 23 4.078 11.636 -3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.164 13.220 -2.249 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.583 12.485 -2.429 1.00 0.00 H new ATOM 302 N GLY A 24 1.993 12.274 0.127 1.00 0.00 N ATOM 303 CA GLY A 24 2.025 11.800 1.498 1.00 0.00 C ATOM 304 C GLY A 24 1.578 12.857 2.488 1.00 0.00 C ATOM 305 O GLY A 24 1.771 14.051 2.259 1.00 0.00 O ATOM 0 H GLY A 24 1.369 13.063 -0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.383 10.924 1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.037 11.480 1.745 1.00 0.00 H new ATOM 309 N ILE A 25 0.978 12.418 3.589 1.00 0.00 N ATOM 310 CA ILE A 25 0.503 13.336 4.617 1.00 0.00 C ATOM 311 C ILE A 25 1.649 14.163 5.189 1.00 0.00 C ATOM 312 O ILE A 25 1.428 15.118 5.934 1.00 0.00 O ATOM 313 CB ILE A 25 -0.195 12.584 5.765 1.00 0.00 C ATOM 314 CG1 ILE A 25 0.812 11.713 6.519 1.00 0.00 C ATOM 315 CG2 ILE A 25 -1.337 11.736 5.226 1.00 0.00 C ATOM 316 CD1 ILE A 25 0.469 11.518 7.980 1.00 0.00 C ATOM 0 H ILE A 25 0.809 11.433 3.792 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.217 14.000 4.138 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.608 13.315 6.460 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.871 10.738 6.035 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.800 12.167 6.444 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.820 11.211 6.050 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.064 12.378 4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.946 11.010 4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.226 10.891 8.451 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.439 12.487 8.479 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.505 11.036 8.064 1.00 0.00 H new ATOM 328 N ASP A 26 2.874 13.792 4.833 1.00 0.00 N ATOM 329 CA ASP A 26 4.057 14.501 5.308 1.00 0.00 C ATOM 330 C ASP A 26 4.480 15.578 4.315 1.00 0.00 C ATOM 331 O ASP A 26 5.005 16.623 4.702 1.00 0.00 O ATOM 332 CB ASP A 26 5.208 13.520 5.537 1.00 0.00 C ATOM 333 CG ASP A 26 6.383 14.163 6.247 1.00 0.00 C ATOM 334 OD1 ASP A 26 7.232 14.770 5.560 1.00 0.00 O ATOM 335 OD2 ASP A 26 6.454 14.059 7.489 1.00 0.00 O ATOM 0 H ASP A 26 3.074 13.004 4.217 1.00 0.00 H new ATOM 0 HA ASP A 26 3.807 14.982 6.253 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.850 12.675 6.125 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.540 13.123 4.578 1.00 0.00 H new ATOM 340 N PHE A 27 4.249 15.317 3.032 1.00 0.00 N ATOM 341 CA PHE A 27 4.608 16.264 1.983 1.00 0.00 C ATOM 342 C PHE A 27 3.432 17.177 1.648 1.00 0.00 C ATOM 343 O PHE A 27 3.464 17.911 0.662 1.00 0.00 O ATOM 344 CB PHE A 27 5.061 15.517 0.726 1.00 0.00 C ATOM 345 CG PHE A 27 6.355 14.775 0.904 1.00 0.00 C ATOM 346 CD1 PHE A 27 6.397 13.590 1.620 1.00 0.00 C ATOM 347 CD2 PHE A 27 7.530 15.264 0.356 1.00 0.00 C ATOM 348 CE1 PHE A 27 7.586 12.905 1.785 1.00 0.00 C ATOM 349 CE2 PHE A 27 8.722 14.583 0.517 1.00 0.00 C ATOM 350 CZ PHE A 27 8.750 13.403 1.234 1.00 0.00 C ATOM 0 H PHE A 27 3.815 14.458 2.694 1.00 0.00 H new ATOM 0 HA PHE A 27 5.430 16.879 2.349 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.284 14.811 0.432 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.169 16.230 -0.091 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.490 13.197 2.054 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.514 16.188 -0.203 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.605 11.981 2.344 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.630 14.973 0.083 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.681 12.871 1.364 1.00 0.00 H new ATOM 360 N ASN A 28 2.395 17.125 2.478 1.00 0.00 N ATOM 361 CA ASN A 28 1.208 17.946 2.271 1.00 0.00 C ATOM 362 C ASN A 28 0.545 17.617 0.938 1.00 0.00 C ATOM 363 O ASN A 28 0.043 18.504 0.248 1.00 0.00 O ATOM 364 CB ASN A 28 1.575 19.431 2.318 1.00 0.00 C ATOM 365 CG ASN A 28 2.199 19.831 3.641 1.00 0.00 C ATOM 366 OD1 ASN A 28 1.533 20.398 4.508 1.00 0.00 O ATOM 367 ND2 ASN A 28 3.484 19.537 3.802 1.00 0.00 N ATOM 0 H ASN A 28 2.353 16.523 3.300 1.00 0.00 H new ATOM 0 HA ASN A 28 0.501 17.727 3.072 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.270 19.656 1.509 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.680 20.029 2.146 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.958 19.782 4.671 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.997 19.066 3.056 1.00 0.00 H new ATOM 374 N GLN A 29 0.547 16.336 0.583 1.00 0.00 N ATOM 375 CA GLN A 29 -0.055 15.890 -0.668 1.00 0.00 C ATOM 376 C GLN A 29 -0.765 14.552 -0.484 1.00 0.00 C ATOM 377 O GLN A 29 -0.382 13.727 0.345 1.00 0.00 O ATOM 378 CB GLN A 29 1.012 15.768 -1.757 1.00 0.00 C ATOM 379 CG GLN A 29 1.330 17.086 -2.447 1.00 0.00 C ATOM 380 CD GLN A 29 2.144 16.900 -3.713 1.00 0.00 C ATOM 381 OE1 GLN A 29 3.305 17.302 -3.782 1.00 0.00 O ATOM 382 NE2 GLN A 29 1.536 16.288 -4.723 1.00 0.00 N ATOM 0 H GLN A 29 0.958 15.590 1.143 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.792 16.633 -0.972 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.925 15.368 -1.316 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.677 15.048 -2.504 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.399 17.598 -2.690 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.878 17.729 -1.758 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.572 15.971 -4.621 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.033 16.135 -5.600 1.00 0.00 H new ATOM 391 N PRO A 30 -1.825 14.331 -1.276 1.00 0.00 N ATOM 392 CA PRO A 30 -2.611 13.094 -1.219 1.00 0.00 C ATOM 393 C PRO A 30 -1.839 11.892 -1.751 1.00 0.00 C ATOM 394 O PRO A 30 -1.057 12.012 -2.695 1.00 0.00 O ATOM 395 CB PRO A 30 -3.814 13.397 -2.115 1.00 0.00 C ATOM 396 CG PRO A 30 -3.329 14.443 -3.059 1.00 0.00 C ATOM 397 CD PRO A 30 -2.338 15.270 -2.287 1.00 0.00 C ATOM 0 HA PRO A 30 -2.880 12.828 -0.197 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.145 12.506 -2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.663 13.753 -1.531 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.863 13.992 -3.935 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.154 15.058 -3.418 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.541 15.645 -2.929 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.811 16.138 -1.827 1.00 0.00 H new ATOM 405 N LEU A 31 -2.062 10.734 -1.140 1.00 0.00 N ATOM 406 CA LEU A 31 -1.388 9.508 -1.553 1.00 0.00 C ATOM 407 C LEU A 31 -1.985 8.967 -2.848 1.00 0.00 C ATOM 408 O LEU A 31 -3.037 8.327 -2.839 1.00 0.00 O ATOM 409 CB LEU A 31 -1.488 8.451 -0.452 1.00 0.00 C ATOM 410 CG LEU A 31 -0.553 8.637 0.744 1.00 0.00 C ATOM 411 CD1 LEU A 31 -0.846 7.600 1.817 1.00 0.00 C ATOM 412 CD2 LEU A 31 0.901 8.555 0.303 1.00 0.00 C ATOM 0 H LEU A 31 -2.705 10.618 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.338 9.743 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.514 8.433 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.290 7.475 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.728 9.626 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.171 7.748 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.877 7.707 2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.700 6.601 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.551 8.690 1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.091 7.580 -0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.104 9.337 -0.429 1.00 0.00 H new ATOM 424 N VAL A 32 -1.307 9.228 -3.961 1.00 0.00 N ATOM 425 CA VAL A 32 -1.769 8.765 -5.264 1.00 0.00 C ATOM 426 C VAL A 32 -0.710 7.909 -5.950 1.00 0.00 C ATOM 427 O VAL A 32 0.464 7.941 -5.580 1.00 0.00 O ATOM 428 CB VAL A 32 -2.133 9.947 -6.183 1.00 0.00 C ATOM 429 CG1 VAL A 32 -2.816 9.449 -7.448 1.00 0.00 C ATOM 430 CG2 VAL A 32 -3.016 10.942 -5.446 1.00 0.00 C ATOM 0 H VAL A 32 -0.436 9.758 -3.986 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.661 8.163 -5.088 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.214 10.457 -6.472 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.066 10.298 -8.085 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.145 8.778 -7.984 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.728 8.914 -7.183 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.263 11.770 -6.110 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.933 10.447 -5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.485 11.323 -4.573 1.00 0.00 H new ATOM 440 N ILE A 33 -1.133 7.146 -6.952 1.00 0.00 N ATOM 441 CA ILE A 33 -0.220 6.282 -7.692 1.00 0.00 C ATOM 442 C ILE A 33 0.540 7.068 -8.754 1.00 0.00 C ATOM 443 O ILE A 33 -0.026 7.926 -9.432 1.00 0.00 O ATOM 444 CB ILE A 33 -0.969 5.119 -8.367 1.00 0.00 C ATOM 445 CG1 ILE A 33 -1.536 4.167 -7.312 1.00 0.00 C ATOM 446 CG2 ILE A 33 -0.043 4.373 -9.317 1.00 0.00 C ATOM 447 CD1 ILE A 33 -2.772 3.424 -7.770 1.00 0.00 C ATOM 0 H ILE A 33 -2.101 7.108 -7.270 1.00 0.00 H new ATOM 0 HA ILE A 33 0.487 5.876 -6.969 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.799 5.528 -8.944 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.768 3.444 -7.037 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.776 4.735 -6.413 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.587 3.553 -9.787 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.317 5.057 -10.086 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.805 3.974 -8.760 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.119 2.768 -6.972 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.556 4.140 -8.018 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.533 2.828 -8.651 1.00 0.00 H new ATOM 459 N THR A 34 1.828 6.768 -8.897 1.00 0.00 N ATOM 460 CA THR A 34 2.667 7.445 -9.878 1.00 0.00 C ATOM 461 C THR A 34 2.561 6.778 -11.245 1.00 0.00 C ATOM 462 O THR A 34 2.572 7.450 -12.276 1.00 0.00 O ATOM 463 CB THR A 34 4.143 7.460 -9.439 1.00 0.00 C ATOM 464 OG1 THR A 34 4.789 6.251 -9.851 1.00 0.00 O ATOM 465 CG2 THR A 34 4.257 7.614 -7.930 1.00 0.00 C ATOM 0 H THR A 34 2.312 6.060 -8.345 1.00 0.00 H new ATOM 0 HA THR A 34 2.307 8.471 -9.949 1.00 0.00 H new ATOM 0 HB THR A 34 4.632 8.311 -9.913 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.728 6.269 -9.570 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.309 7.622 -7.643 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.790 8.550 -7.624 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.754 6.780 -7.440 1.00 0.00 H new ATOM 473 N ARG A 35 2.460 5.453 -11.245 1.00 0.00 N ATOM 474 CA ARG A 35 2.353 4.696 -12.487 1.00 0.00 C ATOM 475 C ARG A 35 1.764 3.311 -12.230 1.00 0.00 C ATOM 476 O ARG A 35 1.666 2.871 -11.084 1.00 0.00 O ATOM 477 CB ARG A 35 3.727 4.563 -13.147 1.00 0.00 C ATOM 478 CG ARG A 35 3.663 4.410 -14.658 1.00 0.00 C ATOM 479 CD ARG A 35 4.986 4.778 -15.311 1.00 0.00 C ATOM 480 NE ARG A 35 5.123 4.190 -16.641 1.00 0.00 N ATOM 481 CZ ARG A 35 6.284 4.065 -17.274 1.00 0.00 C ATOM 482 NH1 ARG A 35 7.403 4.484 -16.701 1.00 0.00 N ATOM 483 NH2 ARG A 35 6.327 3.519 -18.483 1.00 0.00 N ATOM 0 H ARG A 35 2.450 4.882 -10.400 1.00 0.00 H new ATOM 0 HA ARG A 35 1.686 5.237 -13.158 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.324 5.442 -12.904 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.242 3.701 -12.724 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.405 3.381 -14.910 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.871 5.044 -15.056 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.064 5.863 -15.385 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.808 4.441 -14.679 1.00 0.00 H new ATOM 0 HE ARG A 35 4.280 3.857 -17.110 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.374 4.904 -15.772 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.293 4.387 -17.189 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.468 3.195 -18.927 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.219 3.424 -18.968 1.00 0.00 H new ATOM 497 N ILE A 36 1.374 2.632 -13.303 1.00 0.00 N ATOM 498 CA ILE A 36 0.796 1.299 -13.194 1.00 0.00 C ATOM 499 C ILE A 36 1.412 0.347 -14.214 1.00 0.00 C ATOM 500 O ILE A 36 1.741 0.745 -15.332 1.00 0.00 O ATOM 501 CB ILE A 36 -0.731 1.329 -13.394 1.00 0.00 C ATOM 502 CG1 ILE A 36 -1.419 1.891 -12.148 1.00 0.00 C ATOM 503 CG2 ILE A 36 -1.252 -0.065 -13.710 1.00 0.00 C ATOM 504 CD1 ILE A 36 -1.034 1.177 -10.871 1.00 0.00 C ATOM 0 H ILE A 36 1.448 2.983 -14.258 1.00 0.00 H new ATOM 0 HA ILE A 36 1.016 0.942 -12.188 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.959 1.980 -14.238 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.172 2.948 -12.052 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.499 1.827 -12.279 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.332 -0.027 -13.849 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.782 -0.431 -14.623 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.015 -0.737 -12.885 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.559 1.628 -10.029 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.306 0.124 -10.946 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.041 1.263 -10.716 1.00 0.00 H new ATOM 516 N THR A 37 1.565 -0.914 -13.821 1.00 0.00 N ATOM 517 CA THR A 37 2.140 -1.924 -14.701 1.00 0.00 C ATOM 518 C THR A 37 1.134 -2.374 -15.753 1.00 0.00 C ATOM 519 O THR A 37 -0.019 -2.685 -15.452 1.00 0.00 O ATOM 520 CB THR A 37 2.620 -3.153 -13.906 1.00 0.00 C ATOM 521 OG1 THR A 37 3.568 -2.753 -12.910 1.00 0.00 O ATOM 522 CG2 THR A 37 3.254 -4.182 -14.831 1.00 0.00 C ATOM 0 H THR A 37 1.299 -1.260 -12.899 1.00 0.00 H new ATOM 0 HA THR A 37 2.995 -1.463 -15.195 1.00 0.00 H new ATOM 0 HB THR A 37 1.754 -3.606 -13.423 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.110 -2.248 -12.206 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.585 -5.041 -14.247 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.522 -4.507 -15.570 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.110 -3.737 -15.339 1.00 0.00 H new ATOM 530 N PRO A 38 1.577 -2.413 -17.019 1.00 0.00 N ATOM 531 CA PRO A 38 0.731 -2.826 -18.142 1.00 0.00 C ATOM 532 C PRO A 38 0.407 -4.315 -18.107 1.00 0.00 C ATOM 533 O PRO A 38 1.305 -5.154 -18.042 1.00 0.00 O ATOM 534 CB PRO A 38 1.582 -2.492 -19.370 1.00 0.00 C ATOM 535 CG PRO A 38 2.988 -2.529 -18.877 1.00 0.00 C ATOM 536 CD PRO A 38 2.939 -2.056 -17.451 1.00 0.00 C ATOM 0 HA PRO A 38 -0.237 -2.325 -18.129 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.424 -3.215 -20.170 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.329 -1.511 -19.772 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.397 -3.537 -18.940 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.630 -1.886 -19.480 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.696 -2.546 -16.839 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.115 -0.983 -17.377 1.00 0.00 H new ATOM 544 N GLY A 39 -0.882 -4.638 -18.150 1.00 0.00 N ATOM 545 CA GLY A 39 -1.301 -6.027 -18.123 1.00 0.00 C ATOM 546 C GLY A 39 -0.629 -6.813 -17.014 1.00 0.00 C ATOM 547 O GLY A 39 0.217 -7.668 -17.275 1.00 0.00 O ATOM 0 H GLY A 39 -1.644 -3.962 -18.203 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.382 -6.075 -17.994 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.073 -6.491 -19.083 1.00 0.00 H new ATOM 551 N SER A 40 -1.005 -6.522 -15.773 1.00 0.00 N ATOM 552 CA SER A 40 -0.429 -7.204 -14.620 1.00 0.00 C ATOM 553 C SER A 40 -1.388 -7.171 -13.434 1.00 0.00 C ATOM 554 O SER A 40 -2.516 -6.692 -13.546 1.00 0.00 O ATOM 555 CB SER A 40 0.903 -6.559 -14.232 1.00 0.00 C ATOM 556 OG SER A 40 0.715 -5.552 -13.253 1.00 0.00 O ATOM 0 H SER A 40 -1.706 -5.819 -15.540 1.00 0.00 H new ATOM 0 HA SER A 40 -0.254 -8.244 -14.894 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.582 -7.321 -13.849 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.373 -6.128 -15.116 1.00 0.00 H new ATOM 0 HG SER A 40 1.438 -5.599 -12.593 1.00 0.00 H new ATOM 562 N LYS A 41 -0.931 -7.684 -12.297 1.00 0.00 N ATOM 563 CA LYS A 41 -1.745 -7.713 -11.088 1.00 0.00 C ATOM 564 C LYS A 41 -2.255 -6.318 -10.742 1.00 0.00 C ATOM 565 O LYS A 41 -3.290 -6.169 -10.092 1.00 0.00 O ATOM 566 CB LYS A 41 -0.936 -8.277 -9.917 1.00 0.00 C ATOM 567 CG LYS A 41 -0.342 -9.647 -10.192 1.00 0.00 C ATOM 568 CD LYS A 41 0.279 -10.247 -8.942 1.00 0.00 C ATOM 569 CE LYS A 41 0.366 -11.763 -9.035 1.00 0.00 C ATOM 570 NZ LYS A 41 1.475 -12.307 -8.203 1.00 0.00 N ATOM 0 H LYS A 41 0.000 -8.086 -12.188 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.603 -8.359 -11.273 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.131 -7.583 -9.675 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.579 -8.339 -9.039 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.119 -10.312 -10.569 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.415 -9.566 -10.972 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.276 -9.833 -8.795 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.313 -9.968 -8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.578 -12.201 -8.713 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.515 -12.055 -10.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.501 -13.343 -8.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.379 -11.908 -8.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.320 -12.050 -7.207 1.00 0.00 H new ATOM 584 N ALA A 42 -1.524 -5.299 -11.182 1.00 0.00 N ATOM 585 CA ALA A 42 -1.905 -3.917 -10.921 1.00 0.00 C ATOM 586 C ALA A 42 -2.945 -3.435 -11.927 1.00 0.00 C ATOM 587 O ALA A 42 -4.118 -3.277 -11.594 1.00 0.00 O ATOM 588 CB ALA A 42 -0.679 -3.016 -10.954 1.00 0.00 C ATOM 0 H ALA A 42 -0.665 -5.405 -11.721 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.350 -3.870 -9.927 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.979 -1.987 -10.757 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.031 -3.339 -10.192 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.210 -3.076 -11.936 1.00 0.00 H new ATOM 594 N ALA A 43 -2.505 -3.203 -13.160 1.00 0.00 N ATOM 595 CA ALA A 43 -3.398 -2.741 -14.215 1.00 0.00 C ATOM 596 C ALA A 43 -4.617 -3.649 -14.340 1.00 0.00 C ATOM 597 O ALA A 43 -5.736 -3.178 -14.539 1.00 0.00 O ATOM 598 CB ALA A 43 -2.655 -2.666 -15.540 1.00 0.00 C ATOM 0 H ALA A 43 -1.536 -3.328 -13.452 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.747 -1.743 -13.950 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.334 -2.320 -16.319 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.821 -1.970 -15.450 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.277 -3.654 -15.802 1.00 0.00 H new ATOM 604 N ALA A 44 -4.391 -4.953 -14.223 1.00 0.00 N ATOM 605 CA ALA A 44 -5.471 -5.927 -14.322 1.00 0.00 C ATOM 606 C ALA A 44 -6.474 -5.752 -13.186 1.00 0.00 C ATOM 607 O ALA A 44 -7.641 -6.120 -13.314 1.00 0.00 O ATOM 608 CB ALA A 44 -4.909 -7.341 -14.318 1.00 0.00 C ATOM 0 H ALA A 44 -3.470 -5.359 -14.060 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.994 -5.758 -15.263 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.727 -8.058 -14.392 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.237 -7.468 -15.167 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.360 -7.512 -13.392 1.00 0.00 H new ATOM 614 N ALA A 45 -6.010 -5.189 -12.075 1.00 0.00 N ATOM 615 CA ALA A 45 -6.868 -4.964 -10.918 1.00 0.00 C ATOM 616 C ALA A 45 -7.565 -3.611 -11.006 1.00 0.00 C ATOM 617 O ALA A 45 -8.044 -3.083 -10.003 1.00 0.00 O ATOM 618 CB ALA A 45 -6.057 -5.060 -9.634 1.00 0.00 C ATOM 0 H ALA A 45 -5.046 -4.881 -11.952 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.635 -5.738 -10.909 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.710 -4.890 -8.778 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.611 -6.052 -9.559 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.269 -4.307 -9.644 1.00 0.00 H new ATOM 624 N ASN A 46 -7.616 -3.054 -12.212 1.00 0.00 N ATOM 625 CA ASN A 46 -8.254 -1.761 -12.430 1.00 0.00 C ATOM 626 C ASN A 46 -7.487 -0.649 -11.720 1.00 0.00 C ATOM 627 O ASN A 46 -8.081 0.296 -11.201 1.00 0.00 O ATOM 628 CB ASN A 46 -9.702 -1.793 -11.935 1.00 0.00 C ATOM 629 CG ASN A 46 -10.397 -3.099 -12.266 1.00 0.00 C ATOM 630 OD1 ASN A 46 -10.813 -3.323 -13.403 1.00 0.00 O ATOM 631 ND2 ASN A 46 -10.527 -3.969 -11.271 1.00 0.00 N ATOM 0 H ASN A 46 -7.223 -3.478 -13.053 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.247 -1.557 -13.501 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.718 -1.639 -10.856 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.255 -0.967 -12.383 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.987 -4.865 -11.434 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.167 -3.741 -10.344 1.00 0.00 H new ATOM 638 N LEU A 47 -6.164 -0.770 -11.703 1.00 0.00 N ATOM 639 CA LEU A 47 -5.314 0.225 -11.058 1.00 0.00 C ATOM 640 C LEU A 47 -4.784 1.230 -12.076 1.00 0.00 C ATOM 641 O LEU A 47 -4.362 0.856 -13.171 1.00 0.00 O ATOM 642 CB LEU A 47 -4.147 -0.459 -10.344 1.00 0.00 C ATOM 643 CG LEU A 47 -4.523 -1.493 -9.282 1.00 0.00 C ATOM 644 CD1 LEU A 47 -3.279 -2.006 -8.574 1.00 0.00 C ATOM 645 CD2 LEU A 47 -5.502 -0.897 -8.280 1.00 0.00 C ATOM 0 H LEU A 47 -5.657 -1.546 -12.128 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.916 0.762 -10.325 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.525 -0.948 -11.094 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.534 0.310 -9.873 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.008 -2.334 -9.777 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.565 -2.741 -7.822 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.613 -2.471 -9.300 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.766 -1.174 -8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.758 -1.647 -7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.044 -0.038 -7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.406 -0.579 -8.800 1.00 0.00 H new ATOM 657 N CYS A 48 -4.806 2.506 -11.706 1.00 0.00 N ATOM 658 CA CYS A 48 -4.326 3.565 -12.586 1.00 0.00 C ATOM 659 C CYS A 48 -3.664 4.681 -11.784 1.00 0.00 C ATOM 660 O CYS A 48 -4.005 4.935 -10.628 1.00 0.00 O ATOM 661 CB CYS A 48 -5.481 4.132 -13.413 1.00 0.00 C ATOM 662 SG CYS A 48 -6.626 5.167 -12.471 1.00 0.00 S ATOM 0 H CYS A 48 -5.151 2.832 -10.803 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.583 3.135 -13.258 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.071 4.718 -14.236 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.036 3.305 -13.856 1.00 0.00 H new ATOM 0 HG CYS A 48 -6.158 5.352 -11.273 1.00 0.00 H new ATOM 668 N PRO A 49 -2.692 5.363 -12.408 1.00 0.00 N ATOM 669 CA PRO A 49 -1.961 6.462 -11.770 1.00 0.00 C ATOM 670 C PRO A 49 -2.832 7.697 -11.567 1.00 0.00 C ATOM 671 O PRO A 49 -3.004 8.504 -12.479 1.00 0.00 O ATOM 672 CB PRO A 49 -0.833 6.760 -12.762 1.00 0.00 C ATOM 673 CG PRO A 49 -1.356 6.299 -14.079 1.00 0.00 C ATOM 674 CD PRO A 49 -2.233 5.114 -13.785 1.00 0.00 C ATOM 0 HA PRO A 49 -1.611 6.194 -10.773 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.593 7.823 -12.781 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.081 6.232 -12.492 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.921 7.090 -14.573 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.541 6.024 -14.748 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.069 5.050 -14.482 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.681 4.177 -13.862 1.00 0.00 H new ATOM 682 N GLY A 50 -3.379 7.838 -10.363 1.00 0.00 N ATOM 683 CA GLY A 50 -4.225 8.978 -10.062 1.00 0.00 C ATOM 684 C GLY A 50 -5.199 8.695 -8.935 1.00 0.00 C ATOM 685 O GLY A 50 -5.748 9.618 -8.334 1.00 0.00 O ATOM 0 H GLY A 50 -3.251 7.183 -9.591 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.600 9.829 -9.793 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.781 9.260 -10.956 1.00 0.00 H new ATOM 689 N ASP A 51 -5.416 7.416 -8.650 1.00 0.00 N ATOM 690 CA ASP A 51 -6.331 7.014 -7.589 1.00 0.00 C ATOM 691 C ASP A 51 -5.841 7.508 -6.231 1.00 0.00 C ATOM 692 O ASP A 51 -4.665 7.365 -5.895 1.00 0.00 O ATOM 693 CB ASP A 51 -6.483 5.492 -7.566 1.00 0.00 C ATOM 694 CG ASP A 51 -7.622 5.011 -8.444 1.00 0.00 C ATOM 695 OD1 ASP A 51 -8.632 5.737 -8.556 1.00 0.00 O ATOM 696 OD2 ASP A 51 -7.505 3.908 -9.018 1.00 0.00 O ATOM 0 H ASP A 51 -4.970 6.640 -9.139 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.302 7.466 -7.791 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.553 5.032 -7.898 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.654 5.162 -6.541 1.00 0.00 H new ATOM 701 N VAL A 52 -6.749 8.091 -5.456 1.00 0.00 N ATOM 702 CA VAL A 52 -6.409 8.607 -4.135 1.00 0.00 C ATOM 703 C VAL A 52 -6.574 7.533 -3.066 1.00 0.00 C ATOM 704 O VAL A 52 -7.692 7.124 -2.750 1.00 0.00 O ATOM 705 CB VAL A 52 -7.281 9.822 -3.765 1.00 0.00 C ATOM 706 CG1 VAL A 52 -6.954 10.306 -2.361 1.00 0.00 C ATOM 707 CG2 VAL A 52 -7.094 10.940 -4.780 1.00 0.00 C ATOM 0 H VAL A 52 -7.726 8.218 -5.720 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.365 8.917 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.327 9.516 -3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.580 11.165 -2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.143 9.505 -1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.904 10.596 -2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.717 11.790 -4.503 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.048 11.246 -4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.383 10.585 -5.769 1.00 0.00 H new ATOM 717 N ILE A 53 -5.454 7.080 -2.513 1.00 0.00 N ATOM 718 CA ILE A 53 -5.475 6.054 -1.477 1.00 0.00 C ATOM 719 C ILE A 53 -6.095 6.585 -0.190 1.00 0.00 C ATOM 720 O ILE A 53 -5.455 7.317 0.565 1.00 0.00 O ATOM 721 CB ILE A 53 -4.058 5.531 -1.174 1.00 0.00 C ATOM 722 CG1 ILE A 53 -3.328 5.190 -2.475 1.00 0.00 C ATOM 723 CG2 ILE A 53 -4.126 4.314 -0.264 1.00 0.00 C ATOM 724 CD1 ILE A 53 -3.595 3.785 -2.967 1.00 0.00 C ATOM 0 H ILE A 53 -4.521 7.407 -2.765 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.083 5.233 -1.858 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.500 6.314 -0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.627 5.899 -3.247 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.256 5.316 -2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.117 3.956 -0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.612 4.587 0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.698 3.526 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.046 3.613 -3.893 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.270 3.068 -2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.662 3.660 -3.150 1.00 0.00 H new ATOM 736 N LEU A 54 -7.345 6.209 0.057 1.00 0.00 N ATOM 737 CA LEU A 54 -8.053 6.645 1.256 1.00 0.00 C ATOM 738 C LEU A 54 -7.548 5.901 2.488 1.00 0.00 C ATOM 739 O LEU A 54 -7.297 6.505 3.530 1.00 0.00 O ATOM 740 CB LEU A 54 -9.558 6.423 1.093 1.00 0.00 C ATOM 741 CG LEU A 54 -10.295 7.435 0.215 1.00 0.00 C ATOM 742 CD1 LEU A 54 -11.708 6.958 -0.079 1.00 0.00 C ATOM 743 CD2 LEU A 54 -10.320 8.802 0.884 1.00 0.00 C ATOM 0 H LEU A 54 -7.889 5.603 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.862 7.709 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.715 5.428 0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.015 6.430 2.082 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.760 7.524 -0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.217 7.691 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.668 6.001 -0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.254 6.839 0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.848 9.510 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.831 8.728 1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.299 9.148 1.042 1.00 0.00 H new ATOM 755 N ALA A 55 -7.400 4.587 2.359 1.00 0.00 N ATOM 756 CA ALA A 55 -6.920 3.761 3.460 1.00 0.00 C ATOM 757 C ALA A 55 -6.100 2.582 2.946 1.00 0.00 C ATOM 758 O ALA A 55 -6.183 2.222 1.771 1.00 0.00 O ATOM 759 CB ALA A 55 -8.091 3.266 4.297 1.00 0.00 C ATOM 0 H ALA A 55 -7.606 4.071 1.503 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.272 4.375 4.086 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.718 2.650 5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.635 4.119 4.703 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.760 2.673 3.673 1.00 0.00 H new ATOM 765 N ILE A 56 -5.309 1.987 3.832 1.00 0.00 N ATOM 766 CA ILE A 56 -4.474 0.849 3.467 1.00 0.00 C ATOM 767 C ILE A 56 -4.731 -0.339 4.388 1.00 0.00 C ATOM 768 O ILE A 56 -4.710 -0.206 5.611 1.00 0.00 O ATOM 769 CB ILE A 56 -2.978 1.209 3.518 1.00 0.00 C ATOM 770 CG1 ILE A 56 -2.651 2.272 2.467 1.00 0.00 C ATOM 771 CG2 ILE A 56 -2.127 -0.034 3.305 1.00 0.00 C ATOM 772 CD1 ILE A 56 -1.279 2.885 2.634 1.00 0.00 C ATOM 0 H ILE A 56 -5.229 2.274 4.808 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.739 0.578 2.445 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.750 1.617 4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.722 1.825 1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.401 3.061 2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.072 0.236 3.344 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.344 -0.762 4.087 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.355 -0.468 2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.116 3.630 1.855 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.210 3.362 3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.521 2.106 2.556 1.00 0.00 H new ATOM 784 N ASP A 57 -4.972 -1.502 3.791 1.00 0.00 N ATOM 785 CA ASP A 57 -5.230 -2.715 4.557 1.00 0.00 C ATOM 786 C ASP A 57 -6.105 -2.416 5.771 1.00 0.00 C ATOM 787 O ASP A 57 -5.978 -3.056 6.814 1.00 0.00 O ATOM 788 CB ASP A 57 -3.913 -3.350 5.007 1.00 0.00 C ATOM 789 CG ASP A 57 -4.026 -4.851 5.187 1.00 0.00 C ATOM 790 OD1 ASP A 57 -4.763 -5.285 6.098 1.00 0.00 O ATOM 791 OD2 ASP A 57 -3.377 -5.592 4.420 1.00 0.00 O ATOM 0 H ASP A 57 -4.994 -1.629 2.779 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.761 -3.415 3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.138 -3.132 4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.597 -2.897 5.947 1.00 0.00 H new ATOM 796 N GLY A 58 -6.993 -1.437 5.627 1.00 0.00 N ATOM 797 CA GLY A 58 -7.875 -1.069 6.719 1.00 0.00 C ATOM 798 C GLY A 58 -7.241 -0.068 7.665 1.00 0.00 C ATOM 799 O GLY A 58 -7.455 -0.124 8.876 1.00 0.00 O ATOM 0 H GLY A 58 -7.117 -0.892 4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.795 -0.648 6.313 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.153 -1.964 7.275 1.00 0.00 H new ATOM 803 N PHE A 59 -6.456 0.851 7.111 1.00 0.00 N ATOM 804 CA PHE A 59 -5.786 1.868 7.914 1.00 0.00 C ATOM 805 C PHE A 59 -5.761 3.207 7.183 1.00 0.00 C ATOM 806 O PHE A 59 -5.002 3.394 6.233 1.00 0.00 O ATOM 807 CB PHE A 59 -4.359 1.427 8.245 1.00 0.00 C ATOM 808 CG PHE A 59 -4.260 0.613 9.503 1.00 0.00 C ATOM 809 CD1 PHE A 59 -4.151 1.233 10.738 1.00 0.00 C ATOM 810 CD2 PHE A 59 -4.276 -0.771 9.452 1.00 0.00 C ATOM 811 CE1 PHE A 59 -4.059 0.486 11.897 1.00 0.00 C ATOM 812 CE2 PHE A 59 -4.185 -1.523 10.608 1.00 0.00 C ATOM 813 CZ PHE A 59 -4.077 -0.894 11.832 1.00 0.00 C ATOM 0 H PHE A 59 -6.268 0.912 6.110 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.345 1.991 8.842 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.965 0.844 7.413 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.728 2.310 8.343 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.138 2.311 10.795 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.361 -1.269 8.497 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.973 0.981 12.853 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.198 -2.602 10.554 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.007 -1.479 12.737 1.00 0.00 H new ATOM 823 N GLY A 60 -6.598 4.137 7.635 1.00 0.00 N ATOM 824 CA GLY A 60 -6.656 5.447 7.013 1.00 0.00 C ATOM 825 C GLY A 60 -5.289 6.087 6.880 1.00 0.00 C ATOM 826 O GLY A 60 -4.433 5.930 7.752 1.00 0.00 O ATOM 0 H GLY A 60 -7.236 4.006 8.420 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.109 5.357 6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.302 6.097 7.602 1.00 0.00 H new ATOM 830 N THR A 61 -5.080 6.812 5.785 1.00 0.00 N ATOM 831 CA THR A 61 -3.806 7.476 5.540 1.00 0.00 C ATOM 832 C THR A 61 -3.792 8.877 6.141 1.00 0.00 C ATOM 833 O THR A 61 -3.195 9.796 5.581 1.00 0.00 O ATOM 834 CB THR A 61 -3.505 7.573 4.032 1.00 0.00 C ATOM 835 OG1 THR A 61 -4.466 8.421 3.394 1.00 0.00 O ATOM 836 CG2 THR A 61 -3.527 6.196 3.386 1.00 0.00 C ATOM 0 H THR A 61 -5.777 6.954 5.054 1.00 0.00 H new ATOM 0 HA THR A 61 -3.036 6.871 6.019 1.00 0.00 H new ATOM 0 HB THR A 61 -2.509 7.998 3.909 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.727 8.030 2.534 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.312 6.290 2.322 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.773 5.562 3.854 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.511 5.747 3.519 1.00 0.00 H new ATOM 844 N GLU A 62 -4.452 9.032 7.284 1.00 0.00 N ATOM 845 CA GLU A 62 -4.514 10.323 7.960 1.00 0.00 C ATOM 846 C GLU A 62 -3.246 10.573 8.772 1.00 0.00 C ATOM 847 O GLU A 62 -2.770 11.704 8.866 1.00 0.00 O ATOM 848 CB GLU A 62 -5.739 10.386 8.875 1.00 0.00 C ATOM 849 CG GLU A 62 -5.699 9.384 10.016 1.00 0.00 C ATOM 850 CD GLU A 62 -7.079 9.049 10.547 1.00 0.00 C ATOM 851 OE1 GLU A 62 -7.702 8.102 10.022 1.00 0.00 O ATOM 852 OE2 GLU A 62 -7.537 9.733 11.486 1.00 0.00 O ATOM 0 H GLU A 62 -4.951 8.281 7.761 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.597 11.099 7.199 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.822 11.391 9.288 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.636 10.211 8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.213 8.470 9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.090 9.785 10.826 1.00 0.00 H new ATOM 859 N SER A 63 -2.706 9.509 9.358 1.00 0.00 N ATOM 860 CA SER A 63 -1.497 9.613 10.166 1.00 0.00 C ATOM 861 C SER A 63 -0.383 8.744 9.590 1.00 0.00 C ATOM 862 O SER A 63 0.607 8.457 10.264 1.00 0.00 O ATOM 863 CB SER A 63 -1.786 9.200 11.610 1.00 0.00 C ATOM 864 OG SER A 63 -2.191 7.844 11.682 1.00 0.00 O ATOM 0 H SER A 63 -3.087 8.565 9.288 1.00 0.00 H new ATOM 0 HA SER A 63 -1.168 10.652 10.152 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.895 9.349 12.219 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.566 9.838 12.025 1.00 0.00 H new ATOM 0 HG SER A 63 -2.368 7.605 12.616 1.00 0.00 H new ATOM 870 N MET A 64 -0.552 8.328 8.340 1.00 0.00 N ATOM 871 CA MET A 64 0.440 7.492 7.672 1.00 0.00 C ATOM 872 C MET A 64 1.172 8.278 6.589 1.00 0.00 C ATOM 873 O MET A 64 0.594 8.618 5.556 1.00 0.00 O ATOM 874 CB MET A 64 -0.229 6.260 7.060 1.00 0.00 C ATOM 875 CG MET A 64 0.461 5.754 5.804 1.00 0.00 C ATOM 876 SD MET A 64 0.279 3.974 5.580 1.00 0.00 S ATOM 877 CE MET A 64 -1.432 3.746 6.059 1.00 0.00 C ATOM 0 H MET A 64 -1.366 8.555 7.769 1.00 0.00 H new ATOM 0 HA MET A 64 1.168 7.169 8.417 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.248 5.461 7.801 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.266 6.500 6.824 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.050 6.269 4.936 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.521 6.004 5.851 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.759 2.746 5.775 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.527 3.866 7.138 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.053 4.487 5.555 1.00 0.00 H new ATOM 887 N THR A 65 2.448 8.563 6.831 1.00 0.00 N ATOM 888 CA THR A 65 3.258 9.310 5.877 1.00 0.00 C ATOM 889 C THR A 65 3.768 8.404 4.761 1.00 0.00 C ATOM 890 O THR A 65 3.687 7.179 4.856 1.00 0.00 O ATOM 891 CB THR A 65 4.460 9.982 6.566 1.00 0.00 C ATOM 892 OG1 THR A 65 5.463 9.005 6.865 1.00 0.00 O ATOM 893 CG2 THR A 65 4.029 10.681 7.847 1.00 0.00 C ATOM 0 H THR A 65 2.942 8.288 7.680 1.00 0.00 H new ATOM 0 HA THR A 65 2.615 10.080 5.451 1.00 0.00 H new ATOM 0 HB THR A 65 4.870 10.727 5.884 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.225 9.441 7.301 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.895 11.148 8.316 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.287 11.445 7.613 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.595 9.952 8.531 1.00 0.00 H new ATOM 901 N HIS A 66 4.294 9.015 3.704 1.00 0.00 N ATOM 902 CA HIS A 66 4.819 8.262 2.570 1.00 0.00 C ATOM 903 C HIS A 66 5.729 7.133 3.041 1.00 0.00 C ATOM 904 O HIS A 66 5.528 5.971 2.687 1.00 0.00 O ATOM 905 CB HIS A 66 5.585 9.190 1.626 1.00 0.00 C ATOM 906 CG HIS A 66 5.549 8.751 0.195 1.00 0.00 C ATOM 907 ND1 HIS A 66 4.383 8.414 -0.460 1.00 0.00 N ATOM 908 CD2 HIS A 66 6.544 8.595 -0.709 1.00 0.00 C ATOM 909 CE1 HIS A 66 4.663 8.069 -1.704 1.00 0.00 C ATOM 910 NE2 HIS A 66 5.968 8.171 -1.881 1.00 0.00 N ATOM 0 H HIS A 66 4.368 10.028 3.609 1.00 0.00 H new ATOM 0 HA HIS A 66 3.976 7.825 2.034 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.168 10.194 1.700 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.623 9.251 1.953 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.596 8.771 -0.540 1.00 0.00 H new ATOM 0 HE1 HIS A 66 3.947 7.757 -2.450 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.467 7.968 -2.747 1.00 0.00 H new ATOM 919 N ALA A 67 6.731 7.481 3.842 1.00 0.00 N ATOM 920 CA ALA A 67 7.671 6.497 4.362 1.00 0.00 C ATOM 921 C ALA A 67 6.939 5.335 5.024 1.00 0.00 C ATOM 922 O ALA A 67 7.307 4.174 4.846 1.00 0.00 O ATOM 923 CB ALA A 67 8.628 7.151 5.349 1.00 0.00 C ATOM 0 H ALA A 67 6.912 8.438 4.145 1.00 0.00 H new ATOM 0 HA ALA A 67 8.245 6.101 3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.325 6.404 5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.184 7.943 4.847 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.062 7.575 6.178 1.00 0.00 H new ATOM 929 N ASP A 68 5.900 5.655 5.788 1.00 0.00 N ATOM 930 CA ASP A 68 5.115 4.637 6.477 1.00 0.00 C ATOM 931 C ASP A 68 4.420 3.718 5.477 1.00 0.00 C ATOM 932 O ASP A 68 4.554 2.496 5.545 1.00 0.00 O ATOM 933 CB ASP A 68 4.079 5.293 7.391 1.00 0.00 C ATOM 934 CG ASP A 68 3.781 4.458 8.621 1.00 0.00 C ATOM 935 OD1 ASP A 68 4.582 4.505 9.578 1.00 0.00 O ATOM 936 OD2 ASP A 68 2.746 3.759 8.627 1.00 0.00 O ATOM 0 H ASP A 68 5.582 6.611 5.946 1.00 0.00 H new ATOM 0 HA ASP A 68 5.795 4.038 7.083 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.441 6.274 7.700 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.157 5.455 6.833 1.00 0.00 H new ATOM 941 N ALA A 69 3.677 4.314 4.551 1.00 0.00 N ATOM 942 CA ALA A 69 2.962 3.549 3.537 1.00 0.00 C ATOM 943 C ALA A 69 3.864 2.491 2.909 1.00 0.00 C ATOM 944 O ALA A 69 3.399 1.423 2.513 1.00 0.00 O ATOM 945 CB ALA A 69 2.412 4.479 2.465 1.00 0.00 C ATOM 0 H ALA A 69 3.554 5.324 4.482 1.00 0.00 H new ATOM 0 HA ALA A 69 2.130 3.038 4.022 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.880 3.895 1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.727 5.194 2.920 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.234 5.015 1.992 1.00 0.00 H new ATOM 951 N GLN A 70 5.154 2.797 2.822 1.00 0.00 N ATOM 952 CA GLN A 70 6.120 1.872 2.241 1.00 0.00 C ATOM 953 C GLN A 70 6.281 0.633 3.115 1.00 0.00 C ATOM 954 O GLN A 70 6.457 -0.476 2.610 1.00 0.00 O ATOM 955 CB GLN A 70 7.473 2.562 2.059 1.00 0.00 C ATOM 956 CG GLN A 70 7.420 3.775 1.143 1.00 0.00 C ATOM 957 CD GLN A 70 7.656 3.419 -0.311 1.00 0.00 C ATOM 958 OE1 GLN A 70 7.776 2.245 -0.663 1.00 0.00 O ATOM 959 NE2 GLN A 70 7.723 4.433 -1.166 1.00 0.00 N ATOM 0 H GLN A 70 5.554 3.677 3.146 1.00 0.00 H new ATOM 0 HA GLN A 70 5.745 1.560 1.266 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.848 2.870 3.035 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.186 1.843 1.656 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.448 4.258 1.242 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.169 4.499 1.462 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.618 5.391 -0.831 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.879 4.254 -2.158 1.00 0.00 H new ATOM 968 N ASP A 71 6.221 0.829 4.427 1.00 0.00 N ATOM 969 CA ASP A 71 6.359 -0.272 5.373 1.00 0.00 C ATOM 970 C ASP A 71 5.053 -1.050 5.496 1.00 0.00 C ATOM 971 O ASP A 71 5.019 -2.139 6.070 1.00 0.00 O ATOM 972 CB ASP A 71 6.785 0.254 6.744 1.00 0.00 C ATOM 973 CG ASP A 71 8.292 0.301 6.904 1.00 0.00 C ATOM 974 OD1 ASP A 71 8.979 0.698 5.939 1.00 0.00 O ATOM 975 OD2 ASP A 71 8.784 -0.058 7.994 1.00 0.00 O ATOM 0 H ASP A 71 6.078 1.741 4.860 1.00 0.00 H new ATOM 0 HA ASP A 71 7.129 -0.946 4.997 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.376 1.254 6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.360 -0.381 7.521 1.00 0.00 H new ATOM 980 N ARG A 72 3.980 -0.484 4.954 1.00 0.00 N ATOM 981 CA ARG A 72 2.670 -1.123 5.005 1.00 0.00 C ATOM 982 C ARG A 72 2.407 -1.925 3.734 1.00 0.00 C ATOM 983 O ARG A 72 1.753 -2.968 3.772 1.00 0.00 O ATOM 984 CB ARG A 72 1.574 -0.073 5.195 1.00 0.00 C ATOM 985 CG ARG A 72 1.254 0.217 6.653 1.00 0.00 C ATOM 986 CD ARG A 72 0.148 -0.689 7.171 1.00 0.00 C ATOM 987 NE ARG A 72 -0.028 -0.566 8.616 1.00 0.00 N ATOM 988 CZ ARG A 72 0.715 -1.217 9.504 1.00 0.00 C ATOM 989 NH1 ARG A 72 1.678 -2.032 9.098 1.00 0.00 N ATOM 990 NH2 ARG A 72 0.494 -1.053 10.803 1.00 0.00 N ATOM 0 H ARG A 72 3.992 0.416 4.474 1.00 0.00 H new ATOM 0 HA ARG A 72 2.659 -1.807 5.854 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.881 0.853 4.708 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.667 -0.411 4.693 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.151 0.081 7.258 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.953 1.259 6.760 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.788 -0.442 6.669 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.380 -1.724 6.921 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.761 0.053 8.962 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.850 -2.161 8.101 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.247 -2.530 9.783 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.247 -0.427 11.119 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.065 -1.553 11.485 1.00 0.00 H new ATOM 1004 N ILE A 73 2.918 -1.431 2.612 1.00 0.00 N ATOM 1005 CA ILE A 73 2.738 -2.102 1.331 1.00 0.00 C ATOM 1006 C ILE A 73 3.691 -3.285 1.191 1.00 0.00 C ATOM 1007 O ILE A 73 3.307 -4.352 0.713 1.00 0.00 O ATOM 1008 CB ILE A 73 2.962 -1.135 0.153 1.00 0.00 C ATOM 1009 CG1 ILE A 73 1.891 -0.042 0.151 1.00 0.00 C ATOM 1010 CG2 ILE A 73 2.953 -1.895 -1.165 1.00 0.00 C ATOM 1011 CD1 ILE A 73 2.352 1.253 -0.479 1.00 0.00 C ATOM 0 H ILE A 73 3.460 -0.568 2.564 1.00 0.00 H new ATOM 0 HA ILE A 73 1.709 -2.462 1.305 1.00 0.00 H new ATOM 0 HB ILE A 73 3.937 -0.662 0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.014 -0.405 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.580 0.153 1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.112 -1.198 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.749 -2.640 -1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.991 -2.392 -1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.542 1.982 -0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.211 1.639 0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.635 1.072 -1.516 1.00 0.00 H new ATOM 1023 N LYS A 74 4.935 -3.088 1.614 1.00 0.00 N ATOM 1024 CA LYS A 74 5.943 -4.139 1.540 1.00 0.00 C ATOM 1025 C LYS A 74 5.687 -5.215 2.591 1.00 0.00 C ATOM 1026 O LYS A 74 5.902 -6.401 2.343 1.00 0.00 O ATOM 1027 CB LYS A 74 7.341 -3.547 1.732 1.00 0.00 C ATOM 1028 CG LYS A 74 7.640 -3.145 3.166 1.00 0.00 C ATOM 1029 CD LYS A 74 8.927 -2.343 3.265 1.00 0.00 C ATOM 1030 CE LYS A 74 10.133 -3.247 3.468 1.00 0.00 C ATOM 1031 NZ LYS A 74 10.361 -3.552 4.907 1.00 0.00 N ATOM 0 H LYS A 74 5.269 -2.210 2.012 1.00 0.00 H new ATOM 0 HA LYS A 74 5.881 -4.598 0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.083 -4.276 1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.448 -2.673 1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.812 -2.555 3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.718 -4.038 3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.061 -1.754 2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.855 -1.639 4.094 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.987 -4.177 2.918 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.020 -2.768 3.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.192 -4.170 5.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.526 -2.667 5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.525 -4.032 5.297 1.00 0.00 H new ATOM 1045 N ALA A 75 5.225 -4.792 3.763 1.00 0.00 N ATOM 1046 CA ALA A 75 4.936 -5.720 4.849 1.00 0.00 C ATOM 1047 C ALA A 75 3.496 -6.218 4.777 1.00 0.00 C ATOM 1048 O ALA A 75 3.021 -6.905 5.681 1.00 0.00 O ATOM 1049 CB ALA A 75 5.201 -5.058 6.193 1.00 0.00 C ATOM 0 H ALA A 75 5.043 -3.813 3.984 1.00 0.00 H new ATOM 0 HA ALA A 75 5.596 -6.581 4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.981 -5.762 6.995 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.247 -4.758 6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.565 -4.179 6.297 1.00 0.00 H new ATOM 1055 N ALA A 76 2.806 -5.866 3.697 1.00 0.00 N ATOM 1056 CA ALA A 76 1.421 -6.278 3.507 1.00 0.00 C ATOM 1057 C ALA A 76 1.278 -7.792 3.625 1.00 0.00 C ATOM 1058 O ALA A 76 2.236 -8.492 3.951 1.00 0.00 O ATOM 1059 CB ALA A 76 0.909 -5.801 2.156 1.00 0.00 C ATOM 0 H ALA A 76 3.184 -5.296 2.940 1.00 0.00 H new ATOM 0 HA ALA A 76 0.820 -5.820 4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.127 -6.116 2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.966 -4.714 2.108 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.520 -6.231 1.363 1.00 0.00 H new ATOM 1065 N SER A 77 0.074 -8.290 3.359 1.00 0.00 N ATOM 1066 CA SER A 77 -0.195 -9.721 3.441 1.00 0.00 C ATOM 1067 C SER A 77 -0.452 -10.304 2.054 1.00 0.00 C ATOM 1068 O SER A 77 -0.481 -9.580 1.059 1.00 0.00 O ATOM 1069 CB SER A 77 -1.399 -9.984 4.348 1.00 0.00 C ATOM 1070 OG SER A 77 -1.026 -9.941 5.714 1.00 0.00 O ATOM 0 H SER A 77 -0.729 -7.724 3.085 1.00 0.00 H new ATOM 0 HA SER A 77 0.683 -10.208 3.865 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.173 -9.241 4.155 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.828 -10.959 4.115 1.00 0.00 H new ATOM 0 HG SER A 77 -1.813 -10.110 6.273 1.00 0.00 H new ATOM 1076 N TYR A 78 -0.637 -11.619 1.998 1.00 0.00 N ATOM 1077 CA TYR A 78 -0.888 -12.301 0.735 1.00 0.00 C ATOM 1078 C TYR A 78 -1.789 -11.463 -0.168 1.00 0.00 C ATOM 1079 O TYR A 78 -1.724 -11.564 -1.393 1.00 0.00 O ATOM 1080 CB TYR A 78 -1.530 -13.667 0.988 1.00 0.00 C ATOM 1081 CG TYR A 78 -2.570 -13.653 2.085 1.00 0.00 C ATOM 1082 CD1 TYR A 78 -2.206 -13.811 3.417 1.00 0.00 C ATOM 1083 CD2 TYR A 78 -3.917 -13.483 1.791 1.00 0.00 C ATOM 1084 CE1 TYR A 78 -3.152 -13.800 4.423 1.00 0.00 C ATOM 1085 CE2 TYR A 78 -4.871 -13.469 2.790 1.00 0.00 C ATOM 1086 CZ TYR A 78 -4.483 -13.628 4.105 1.00 0.00 C ATOM 1087 OH TYR A 78 -5.430 -13.616 5.103 1.00 0.00 O ATOM 0 H TYR A 78 -0.618 -12.233 2.813 1.00 0.00 H new ATOM 0 HA TYR A 78 0.069 -12.443 0.232 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.992 -14.019 0.065 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.750 -14.383 1.247 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.165 -13.945 3.670 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.224 -13.360 0.763 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.851 -13.925 5.453 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.914 -13.334 2.544 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.318 -13.484 4.710 1.00 0.00 H new ATOM 1097 N GLN A 79 -2.628 -10.637 0.448 1.00 0.00 N ATOM 1098 CA GLN A 79 -3.542 -9.780 -0.299 1.00 0.00 C ATOM 1099 C GLN A 79 -3.626 -8.394 0.330 1.00 0.00 C ATOM 1100 O GLN A 79 -3.873 -8.258 1.529 1.00 0.00 O ATOM 1101 CB GLN A 79 -4.934 -10.412 -0.357 1.00 0.00 C ATOM 1102 CG GLN A 79 -5.541 -10.673 1.012 1.00 0.00 C ATOM 1103 CD GLN A 79 -6.939 -11.252 0.929 1.00 0.00 C ATOM 1104 OE1 GLN A 79 -7.119 -12.470 0.908 1.00 0.00 O ATOM 1105 NE2 GLN A 79 -7.940 -10.380 0.883 1.00 0.00 N ATOM 0 H GLN A 79 -2.694 -10.543 1.461 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.155 -9.676 -1.313 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.598 -9.757 -0.921 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.874 -11.353 -0.904 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -4.900 -11.359 1.565 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.571 -9.741 1.576 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.746 -9.379 0.903 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.903 -10.712 0.828 1.00 0.00 H new ATOM 1114 N LEU A 80 -3.418 -7.366 -0.486 1.00 0.00 N ATOM 1115 CA LEU A 80 -3.470 -5.988 -0.009 1.00 0.00 C ATOM 1116 C LEU A 80 -4.818 -5.351 -0.332 1.00 0.00 C ATOM 1117 O LEU A 80 -5.301 -5.435 -1.461 1.00 0.00 O ATOM 1118 CB LEU A 80 -2.342 -5.168 -0.636 1.00 0.00 C ATOM 1119 CG LEU A 80 -2.393 -3.659 -0.392 1.00 0.00 C ATOM 1120 CD1 LEU A 80 -1.764 -3.314 0.949 1.00 0.00 C ATOM 1121 CD2 LEU A 80 -1.694 -2.912 -1.518 1.00 0.00 C ATOM 0 H LEU A 80 -3.212 -7.461 -1.480 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.344 -5.999 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.392 -5.545 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.348 -5.342 -1.712 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.438 -3.349 -0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.809 -2.236 1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.308 -3.820 1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.723 -3.638 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.740 -1.840 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.652 -3.226 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.188 -3.134 -2.464 1.00 0.00 H new ATOM 1133 N CYS A 81 -5.418 -4.712 0.666 1.00 0.00 N ATOM 1134 CA CYS A 81 -6.710 -4.058 0.488 1.00 0.00 C ATOM 1135 C CYS A 81 -6.575 -2.544 0.610 1.00 0.00 C ATOM 1136 O CYS A 81 -6.306 -2.019 1.691 1.00 0.00 O ATOM 1137 CB CYS A 81 -7.714 -4.577 1.519 1.00 0.00 C ATOM 1138 SG CYS A 81 -8.383 -6.213 1.140 1.00 0.00 S ATOM 0 H CYS A 81 -5.031 -4.633 1.606 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.073 -4.293 -0.513 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -7.231 -4.611 2.495 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -8.538 -3.868 1.596 1.00 0.00 H new ATOM 0 HG CYS A 81 -9.220 -6.566 2.070 1.00 0.00 H new ATOM 1144 N LEU A 82 -6.761 -1.847 -0.506 1.00 0.00 N ATOM 1145 CA LEU A 82 -6.658 -0.392 -0.525 1.00 0.00 C ATOM 1146 C LEU A 82 -7.966 0.240 -0.988 1.00 0.00 C ATOM 1147 O LEU A 82 -8.591 -0.226 -1.941 1.00 0.00 O ATOM 1148 CB LEU A 82 -5.514 0.046 -1.442 1.00 0.00 C ATOM 1149 CG LEU A 82 -4.146 -0.573 -1.151 1.00 0.00 C ATOM 1150 CD1 LEU A 82 -3.189 -0.318 -2.305 1.00 0.00 C ATOM 1151 CD2 LEU A 82 -3.577 -0.021 0.148 1.00 0.00 C ATOM 0 H LEU A 82 -6.984 -2.266 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.452 -0.054 0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.787 -0.193 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.420 1.130 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.271 -1.650 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.221 -0.765 -2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.591 -0.761 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.068 0.756 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.603 -0.472 0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.466 1.060 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.253 -0.255 0.970 1.00 0.00 H new ATOM 1163 N LYS A 83 -8.375 1.306 -0.308 1.00 0.00 N ATOM 1164 CA LYS A 83 -9.608 2.006 -0.651 1.00 0.00 C ATOM 1165 C LYS A 83 -9.317 3.231 -1.512 1.00 0.00 C ATOM 1166 O LYS A 83 -8.354 3.959 -1.267 1.00 0.00 O ATOM 1167 CB LYS A 83 -10.349 2.428 0.620 1.00 0.00 C ATOM 1168 CG LYS A 83 -11.851 2.558 0.433 1.00 0.00 C ATOM 1169 CD LYS A 83 -12.440 3.601 1.367 1.00 0.00 C ATOM 1170 CE LYS A 83 -13.896 3.301 1.691 1.00 0.00 C ATOM 1171 NZ LYS A 83 -14.665 4.541 1.989 1.00 0.00 N ATOM 0 H LYS A 83 -7.871 1.704 0.484 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.237 1.323 -1.222 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.151 1.699 1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.950 3.382 0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.068 2.829 -0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.326 1.594 0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.860 3.634 2.289 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.364 4.587 0.908 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.356 2.782 0.850 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.946 2.628 2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.652 4.294 2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.242 5.024 2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.639 5.173 1.163 1.00 0.00 H new ATOM 1185 N ILE A 84 -10.154 3.453 -2.519 1.00 0.00 N ATOM 1186 CA ILE A 84 -9.987 4.591 -3.414 1.00 0.00 C ATOM 1187 C ILE A 84 -11.162 5.556 -3.301 1.00 0.00 C ATOM 1188 O ILE A 84 -12.237 5.189 -2.828 1.00 0.00 O ATOM 1189 CB ILE A 84 -9.848 4.139 -4.880 1.00 0.00 C ATOM 1190 CG1 ILE A 84 -11.004 3.213 -5.263 1.00 0.00 C ATOM 1191 CG2 ILE A 84 -8.512 3.444 -5.096 1.00 0.00 C ATOM 1192 CD1 ILE A 84 -11.370 3.277 -6.730 1.00 0.00 C ATOM 0 H ILE A 84 -10.955 2.860 -2.736 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.072 5.099 -3.111 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.885 5.020 -5.521 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.737 2.187 -5.008 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.879 3.472 -4.667 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.429 3.131 -6.137 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.701 4.133 -4.859 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.447 2.570 -4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -12.197 2.595 -6.929 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -11.669 4.293 -6.987 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -10.509 2.989 -7.333 1.00 0.00 H new ATOM 1204 N ASP A 85 -10.949 6.792 -3.740 1.00 0.00 N ATOM 1205 CA ASP A 85 -11.992 7.811 -3.691 1.00 0.00 C ATOM 1206 C ASP A 85 -12.857 7.764 -4.946 1.00 0.00 C ATOM 1207 O ASP A 85 -13.482 8.757 -5.319 1.00 0.00 O ATOM 1208 CB ASP A 85 -11.370 9.200 -3.537 1.00 0.00 C ATOM 1209 CG ASP A 85 -11.064 9.848 -4.872 1.00 0.00 C ATOM 1210 OD1 ASP A 85 -10.308 9.247 -5.665 1.00 0.00 O ATOM 1211 OD2 ASP A 85 -11.580 10.957 -5.126 1.00 0.00 O ATOM 0 H ASP A 85 -10.064 7.112 -4.134 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.625 7.607 -2.828 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.050 9.839 -2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.451 9.121 -2.956 1.00 0.00 H new ATOM 1216 N ARG A 86 -12.888 6.604 -5.594 1.00 0.00 N ATOM 1217 CA ARG A 86 -13.675 6.428 -6.809 1.00 0.00 C ATOM 1218 C ARG A 86 -13.502 7.620 -7.746 1.00 0.00 C ATOM 1219 O ARG A 86 -14.463 8.084 -8.359 1.00 0.00 O ATOM 1220 CB ARG A 86 -15.154 6.248 -6.462 1.00 0.00 C ATOM 1221 CG ARG A 86 -15.518 4.828 -6.062 1.00 0.00 C ATOM 1222 CD ARG A 86 -17.023 4.653 -5.933 1.00 0.00 C ATOM 1223 NE ARG A 86 -17.715 4.924 -7.190 1.00 0.00 N ATOM 1224 CZ ARG A 86 -18.109 6.135 -7.566 1.00 0.00 C ATOM 1225 NH1 ARG A 86 -17.881 7.182 -6.785 1.00 0.00 N ATOM 1226 NH2 ARG A 86 -18.733 6.301 -8.725 1.00 0.00 N ATOM 0 H ARG A 86 -12.377 5.772 -5.298 1.00 0.00 H new ATOM 0 HA ARG A 86 -13.317 5.533 -7.318 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -15.412 6.923 -5.646 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.758 6.540 -7.321 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -15.132 4.130 -6.804 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -15.040 4.582 -5.114 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -17.243 3.636 -5.610 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -17.401 5.322 -5.160 1.00 0.00 H new ATOM 0 HE ARG A 86 -17.906 4.140 -7.814 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -17.402 7.058 -5.893 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -18.185 8.111 -7.076 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -18.911 5.498 -9.328 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -19.035 7.232 -9.013 1.00 0.00 H new