USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 811 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 106 TYR OH : rot -161:sc= 0.448 USER MOD Set 1.2: A 115 HIS : no HE2:sc= 0.464 K(o=0.91,f=-1.5!) USER MOD Set 1.3: A 119 GLN :FLIP amide:sc= 0 F(o=-3.7!,f=0.91) USER MOD Set 2.1: A 85 GLN : amide:sc= 1.9 K(o=2.4,f=-3.3!) USER MOD Set 2.2: A 125 SER OG : rot 23:sc= 0.486 USER MOD Single : A 9 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.16) USER MOD Single : A 21 TYR OH : rot 30:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= 1.02 K(o=1,f=-3.2!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0.207 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.0427 X(o=-0.043,f=-0.054) USER MOD Single : A 57 SER OG : rot 29:sc= 0.0356 USER MOD Single : A 61 LYS NZ :NH3+ -149:sc= 1.22 (180deg=0.73) USER MOD Single : A 72 CYS SG : rot -87:sc= 0.462 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.782 K(o=0.78,f=-4.5!) USER MOD Single : A 78 ASN : amide:sc= 0.943 K(o=0.94,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= 0.594 K(o=0.59,f=-2!) USER MOD Single : A 84 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 SER OG : rot 90:sc= 1.32 USER MOD Single : A 95 SER OG : rot 78:sc= 0.0524 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -171:sc= 0 (180deg=-0.0821) USER MOD Single : A 102 GLN : amide:sc= -0.0586 X(o=-0.059,f=-0.059) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl -162:sc= -0.133 (180deg=-0.761) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0.218 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0.981 K(o=0.98,f=-1.6!) USER MOD Single : A 113 CYS SG : rot 120:sc= 0.124 USER MOD Single : A 118 THR OG1 : rot 70:sc= 1.02 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N GLU A 7 5.295 -3.911 7.845 1.00 0.00 N ATOM 90 CA GLU A 7 4.912 -3.185 9.064 1.00 0.00 C ATOM 91 C GLU A 7 3.624 -2.376 8.804 1.00 0.00 C ATOM 92 O GLU A 7 3.562 -1.672 7.788 1.00 0.00 O ATOM 93 CB GLU A 7 6.054 -2.237 9.481 1.00 0.00 C ATOM 94 CG GLU A 7 5.887 -1.682 10.898 1.00 0.00 C ATOM 95 CD GLU A 7 7.022 -0.704 11.233 1.00 0.00 C ATOM 96 OE1 GLU A 7 7.030 0.424 10.683 1.00 0.00 O ATOM 97 OE2 GLU A 7 7.915 -1.059 12.040 1.00 0.00 O ATOM 0 HA GLU A 7 4.728 -3.898 9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.003 -2.770 9.415 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.105 -1.407 8.776 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.926 -1.175 10.985 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.882 -2.501 11.617 1.00 0.00 H new ATOM 104 N PRO A 8 2.604 -2.441 9.687 1.00 0.00 N ATOM 105 CA PRO A 8 1.428 -1.585 9.596 1.00 0.00 C ATOM 106 C PRO A 8 1.764 -0.168 10.077 1.00 0.00 C ATOM 107 O PRO A 8 2.569 0.019 10.990 1.00 0.00 O ATOM 108 CB PRO A 8 0.368 -2.255 10.473 1.00 0.00 C ATOM 109 CG PRO A 8 1.204 -2.915 11.568 1.00 0.00 C ATOM 110 CD PRO A 8 2.488 -3.324 10.841 1.00 0.00 C ATOM 0 HA PRO A 8 1.069 -1.476 8.573 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.335 -1.530 10.883 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.217 -2.986 9.914 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.409 -2.225 12.387 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.694 -3.777 11.997 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.354 -3.224 11.495 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.443 -4.367 10.529 1.00 0.00 H new ATOM 118 N LYS A 9 1.137 0.839 9.463 1.00 0.00 N ATOM 119 CA LYS A 9 1.288 2.254 9.834 1.00 0.00 C ATOM 120 C LYS A 9 0.026 2.771 10.573 1.00 0.00 C ATOM 121 O LYS A 9 -1.072 2.237 10.360 1.00 0.00 O ATOM 122 CB LYS A 9 1.648 3.067 8.576 1.00 0.00 C ATOM 123 CG LYS A 9 2.940 2.617 7.865 1.00 0.00 C ATOM 124 CD LYS A 9 4.174 2.522 8.779 1.00 0.00 C ATOM 125 CE LYS A 9 5.448 2.390 7.932 1.00 0.00 C ATOM 126 NZ LYS A 9 6.674 2.439 8.771 1.00 0.00 N ATOM 0 H LYS A 9 0.499 0.694 8.681 1.00 0.00 H new ATOM 0 HA LYS A 9 2.106 2.375 10.544 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.820 3.003 7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.749 4.116 8.855 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.767 1.643 7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.156 3.315 7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.238 3.408 9.410 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.079 1.663 9.444 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.422 1.450 7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.479 3.192 7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.514 2.449 8.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.661 3.299 9.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.706 1.602 9.388 1.00 0.00 H new ATOM 140 N PRO A 10 0.164 3.750 11.497 1.00 0.00 N ATOM 141 CA PRO A 10 -0.917 4.138 12.402 1.00 0.00 C ATOM 142 C PRO A 10 -2.097 4.742 11.633 1.00 0.00 C ATOM 143 O PRO A 10 -1.931 5.608 10.774 1.00 0.00 O ATOM 144 CB PRO A 10 -0.277 5.052 13.451 1.00 0.00 C ATOM 145 CG PRO A 10 0.884 5.679 12.689 1.00 0.00 C ATOM 146 CD PRO A 10 1.361 4.523 11.805 1.00 0.00 C ATOM 0 HA PRO A 10 -1.370 3.288 12.912 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.977 5.805 13.813 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.066 4.492 14.321 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.565 6.538 12.098 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.669 6.028 13.360 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.834 4.893 10.896 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.101 3.912 12.323 1.00 0.00 H new ATOM 154 N GLY A 11 -3.288 4.225 11.949 1.00 0.00 N ATOM 155 CA GLY A 11 -4.570 4.545 11.315 1.00 0.00 C ATOM 156 C GLY A 11 -5.025 3.553 10.247 1.00 0.00 C ATOM 157 O GLY A 11 -6.193 3.602 9.866 1.00 0.00 O ATOM 0 H GLY A 11 -3.389 3.535 12.694 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.337 4.601 12.088 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.499 5.535 10.864 1.00 0.00 H new ATOM 161 N ASP A 12 -4.148 2.685 9.739 1.00 0.00 N ATOM 162 CA ASP A 12 -4.444 1.819 8.589 1.00 0.00 C ATOM 163 C ASP A 12 -5.026 0.440 8.964 1.00 0.00 C ATOM 164 O ASP A 12 -4.948 -0.016 10.108 1.00 0.00 O ATOM 165 CB ASP A 12 -3.214 1.706 7.679 1.00 0.00 C ATOM 166 CG ASP A 12 -2.842 3.060 7.050 1.00 0.00 C ATOM 167 OD1 ASP A 12 -3.698 3.627 6.329 1.00 0.00 O ATOM 168 OD2 ASP A 12 -1.699 3.532 7.251 1.00 0.00 O ATOM 0 H ASP A 12 -3.207 2.560 10.113 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.247 2.304 8.034 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.369 1.329 8.255 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.411 0.981 6.890 1.00 0.00 H new ATOM 173 N LEU A 13 -5.646 -0.203 7.962 1.00 0.00 N ATOM 174 CA LEU A 13 -6.462 -1.410 8.097 1.00 0.00 C ATOM 175 C LEU A 13 -5.680 -2.673 7.769 1.00 0.00 C ATOM 176 O LEU A 13 -5.378 -2.949 6.610 1.00 0.00 O ATOM 177 CB LEU A 13 -7.690 -1.314 7.171 1.00 0.00 C ATOM 178 CG LEU A 13 -8.572 -0.099 7.466 1.00 0.00 C ATOM 179 CD1 LEU A 13 -9.644 0.053 6.383 1.00 0.00 C ATOM 180 CD2 LEU A 13 -9.242 -0.250 8.836 1.00 0.00 C ATOM 0 H LEU A 13 -5.587 0.121 6.997 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.777 -1.475 9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.354 -1.268 6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.286 -2.221 7.273 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.943 0.791 7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.265 0.921 6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.165 0.188 5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.266 -0.841 6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.867 0.621 9.034 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.860 -1.148 8.842 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.477 -0.331 9.608 1.00 0.00 H new ATOM 192 N ILE A 14 -5.413 -3.464 8.798 1.00 0.00 N ATOM 193 CA ILE A 14 -4.732 -4.756 8.693 1.00 0.00 C ATOM 194 C ILE A 14 -5.777 -5.861 8.494 1.00 0.00 C ATOM 195 O ILE A 14 -6.665 -6.017 9.330 1.00 0.00 O ATOM 196 CB ILE A 14 -3.879 -5.067 9.950 1.00 0.00 C ATOM 197 CG1 ILE A 14 -3.222 -3.842 10.630 1.00 0.00 C ATOM 198 CG2 ILE A 14 -2.821 -6.110 9.544 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.468 -4.207 11.916 1.00 0.00 C ATOM 0 H ILE A 14 -5.669 -3.223 9.756 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.056 -4.712 7.839 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.556 -5.447 10.715 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.531 -3.372 9.931 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.991 -3.105 10.862 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.201 -6.354 10.406 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.318 -7.013 9.188 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.195 -5.703 8.750 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.029 -3.308 12.348 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.161 -4.651 12.630 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.678 -4.921 11.684 1.00 0.00 H new ATOM 211 N GLU A 15 -5.667 -6.632 7.417 1.00 0.00 N ATOM 212 CA GLU A 15 -6.434 -7.859 7.205 1.00 0.00 C ATOM 213 C GLU A 15 -5.554 -9.012 7.708 1.00 0.00 C ATOM 214 O GLU A 15 -4.449 -9.216 7.203 1.00 0.00 O ATOM 215 CB GLU A 15 -6.778 -8.019 5.716 1.00 0.00 C ATOM 216 CG GLU A 15 -7.647 -9.257 5.465 1.00 0.00 C ATOM 217 CD GLU A 15 -7.973 -9.417 3.972 1.00 0.00 C ATOM 218 OE1 GLU A 15 -7.067 -9.790 3.188 1.00 0.00 O ATOM 219 OE2 GLU A 15 -9.143 -9.196 3.576 1.00 0.00 O ATOM 0 H GLU A 15 -5.029 -6.419 6.650 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.382 -7.841 7.743 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.302 -7.130 5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.858 -8.096 5.136 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.129 -10.146 5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.573 -9.176 6.035 1.00 0.00 H new ATOM 226 N ILE A 16 -6.011 -9.734 8.733 1.00 0.00 N ATOM 227 CA ILE A 16 -5.226 -10.745 9.458 1.00 0.00 C ATOM 228 C ILE A 16 -5.928 -12.104 9.325 1.00 0.00 C ATOM 229 O ILE A 16 -7.112 -12.229 9.639 1.00 0.00 O ATOM 230 CB ILE A 16 -5.053 -10.318 10.942 1.00 0.00 C ATOM 231 CG1 ILE A 16 -4.436 -8.899 11.053 1.00 0.00 C ATOM 232 CG2 ILE A 16 -4.182 -11.347 11.692 1.00 0.00 C ATOM 233 CD1 ILE A 16 -4.308 -8.356 12.481 1.00 0.00 C ATOM 0 H ILE A 16 -6.960 -9.632 9.094 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.227 -10.832 9.031 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.040 -10.287 11.403 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.446 -8.913 10.596 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.046 -8.208 10.471 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.067 -11.038 12.731 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.661 -12.325 11.655 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.201 -11.406 11.220 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.867 -7.360 12.453 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.295 -8.303 12.940 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.671 -9.019 13.067 1.00 0.00 H new ATOM 245 N PHE A 17 -5.201 -13.136 8.881 1.00 0.00 N ATOM 246 CA PHE A 17 -5.715 -14.504 8.714 1.00 0.00 C ATOM 247 C PHE A 17 -6.112 -15.162 10.048 1.00 0.00 C ATOM 248 O PHE A 17 -7.004 -16.012 10.096 1.00 0.00 O ATOM 249 CB PHE A 17 -4.635 -15.335 7.998 1.00 0.00 C ATOM 250 CG PHE A 17 -5.009 -16.792 7.792 1.00 0.00 C ATOM 251 CD1 PHE A 17 -5.808 -17.169 6.696 1.00 0.00 C ATOM 252 CD2 PHE A 17 -4.588 -17.769 8.718 1.00 0.00 C ATOM 253 CE1 PHE A 17 -6.196 -18.512 6.532 1.00 0.00 C ATOM 254 CE2 PHE A 17 -4.977 -19.111 8.555 1.00 0.00 C ATOM 255 CZ PHE A 17 -5.782 -19.482 7.463 1.00 0.00 C ATOM 0 H PHE A 17 -4.219 -13.043 8.622 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.629 -14.461 8.121 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.428 -14.883 7.028 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.712 -15.286 8.576 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.124 -16.426 5.979 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.966 -17.486 9.554 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.811 -18.798 5.692 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.658 -19.856 9.268 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.082 -20.512 7.339 1.00 0.00 H new ATOM 265 N ARG A 18 -5.423 -14.776 11.130 1.00 0.00 N ATOM 266 CA ARG A 18 -5.569 -15.290 12.492 1.00 0.00 C ATOM 267 C ARG A 18 -5.421 -16.818 12.532 1.00 0.00 C ATOM 268 O ARG A 18 -4.311 -17.313 12.346 1.00 0.00 O ATOM 269 CB ARG A 18 -6.811 -14.664 13.171 1.00 0.00 C ATOM 270 CG ARG A 18 -6.911 -14.869 14.696 1.00 0.00 C ATOM 271 CD ARG A 18 -5.653 -14.435 15.467 1.00 0.00 C ATOM 272 NE ARG A 18 -5.841 -14.554 16.925 1.00 0.00 N ATOM 273 CZ ARG A 18 -4.899 -14.413 17.855 1.00 0.00 C ATOM 274 NH1 ARG A 18 -3.653 -14.134 17.544 1.00 0.00 N ATOM 275 NH2 ARG A 18 -5.201 -14.540 19.128 1.00 0.00 N ATOM 0 H ARG A 18 -4.706 -14.053 11.071 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.744 -14.965 13.126 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.814 -13.594 12.965 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.705 -15.081 12.707 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.767 -14.309 15.073 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.104 -15.922 14.899 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.807 -15.048 15.158 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.409 -13.403 15.214 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.784 -14.765 17.252 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.385 -14.019 16.567 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.954 -14.032 18.280 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.160 -14.747 19.406 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.476 -14.431 19.837 1.00 0.00 H new ATOM 289 N LEU A 19 -6.494 -17.553 12.825 1.00 0.00 N ATOM 290 CA LEU A 19 -6.438 -18.952 13.271 1.00 0.00 C ATOM 291 C LEU A 19 -7.462 -19.823 12.512 1.00 0.00 C ATOM 292 O LEU A 19 -8.171 -20.637 13.102 1.00 0.00 O ATOM 293 CB LEU A 19 -6.605 -18.948 14.807 1.00 0.00 C ATOM 294 CG LEU A 19 -5.407 -18.397 15.612 1.00 0.00 C ATOM 295 CD1 LEU A 19 -5.800 -18.278 17.091 1.00 0.00 C ATOM 296 CD2 LEU A 19 -4.156 -19.278 15.478 1.00 0.00 C ATOM 0 H LEU A 19 -7.445 -17.190 12.759 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.479 -19.414 13.035 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.488 -18.359 15.056 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.800 -19.969 15.135 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.158 -17.417 15.204 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.956 -17.889 17.661 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.648 -17.600 17.189 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.076 -19.260 17.474 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.343 -18.847 16.062 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.376 -20.280 15.846 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.860 -19.333 14.430 1.00 0.00 H new ATOM 308 N GLY A 20 -7.558 -19.609 11.193 1.00 0.00 N ATOM 309 CA GLY A 20 -8.461 -20.336 10.286 1.00 0.00 C ATOM 310 C GLY A 20 -9.681 -19.538 9.810 1.00 0.00 C ATOM 311 O GLY A 20 -10.540 -20.099 9.132 1.00 0.00 O ATOM 0 H GLY A 20 -6.995 -18.907 10.713 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.893 -20.658 9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.809 -21.238 10.790 1.00 0.00 H new ATOM 315 N TYR A 21 -9.759 -18.240 10.134 1.00 0.00 N ATOM 316 CA TYR A 21 -10.790 -17.311 9.649 1.00 0.00 C ATOM 317 C TYR A 21 -10.294 -15.855 9.708 1.00 0.00 C ATOM 318 O TYR A 21 -9.961 -15.342 10.781 1.00 0.00 O ATOM 319 CB TYR A 21 -12.084 -17.475 10.460 1.00 0.00 C ATOM 320 CG TYR A 21 -13.196 -16.550 10.002 1.00 0.00 C ATOM 321 CD1 TYR A 21 -13.921 -16.848 8.833 1.00 0.00 C ATOM 322 CD2 TYR A 21 -13.465 -15.364 10.714 1.00 0.00 C ATOM 323 CE1 TYR A 21 -14.896 -15.948 8.359 1.00 0.00 C ATOM 324 CE2 TYR A 21 -14.438 -14.461 10.246 1.00 0.00 C ATOM 325 CZ TYR A 21 -15.146 -14.745 9.055 1.00 0.00 C ATOM 326 OH TYR A 21 -16.056 -13.858 8.569 1.00 0.00 O ATOM 0 H TYR A 21 -9.087 -17.794 10.759 1.00 0.00 H new ATOM 0 HA TYR A 21 -11.000 -17.552 8.607 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -12.425 -18.508 10.384 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -11.872 -17.285 11.512 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -13.730 -17.767 8.299 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -12.922 -15.147 11.622 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -15.453 -16.178 7.463 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -14.643 -13.554 10.795 1.00 0.00 H new ATOM 0 HH TYR A 21 -16.751 -14.340 8.075 1.00 0.00 H new ATOM 336 N GLU A 22 -10.240 -15.201 8.547 1.00 0.00 N ATOM 337 CA GLU A 22 -9.666 -13.869 8.366 1.00 0.00 C ATOM 338 C GLU A 22 -10.554 -12.764 8.969 1.00 0.00 C ATOM 339 O GLU A 22 -11.780 -12.804 8.849 1.00 0.00 O ATOM 340 CB GLU A 22 -9.415 -13.563 6.876 1.00 0.00 C ATOM 341 CG GLU A 22 -8.763 -14.695 6.068 1.00 0.00 C ATOM 342 CD GLU A 22 -9.810 -15.586 5.380 1.00 0.00 C ATOM 343 OE1 GLU A 22 -10.433 -16.434 6.062 1.00 0.00 O ATOM 344 OE2 GLU A 22 -10.021 -15.435 4.151 1.00 0.00 O ATOM 0 H GLU A 22 -10.606 -15.597 7.681 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.715 -13.874 8.898 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.367 -13.310 6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.781 -12.679 6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.099 -14.268 5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.146 -15.304 6.729 1.00 0.00 H new ATOM 351 N HIS A 23 -9.941 -11.733 9.555 1.00 0.00 N ATOM 352 CA HIS A 23 -10.643 -10.581 10.134 1.00 0.00 C ATOM 353 C HIS A 23 -9.774 -9.304 10.170 1.00 0.00 C ATOM 354 O HIS A 23 -8.558 -9.351 9.968 1.00 0.00 O ATOM 355 CB HIS A 23 -11.235 -10.946 11.511 1.00 0.00 C ATOM 356 CG HIS A 23 -10.261 -11.050 12.664 1.00 0.00 C ATOM 357 ND1 HIS A 23 -10.487 -10.564 13.930 1.00 0.00 N ATOM 358 CD2 HIS A 23 -9.068 -11.725 12.706 1.00 0.00 C ATOM 359 CE1 HIS A 23 -9.467 -10.942 14.715 1.00 0.00 C ATOM 360 NE2 HIS A 23 -8.562 -11.641 14.011 1.00 0.00 N ATOM 0 H HIS A 23 -8.927 -11.672 9.643 1.00 0.00 H new ATOM 0 HA HIS A 23 -11.475 -10.334 9.474 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.987 -10.199 11.767 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -11.753 -11.900 11.416 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -11.292 -10.011 14.222 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.599 -12.234 11.877 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.385 -10.715 15.768 1.00 0.00 H new ATOM 368 N TRP A 24 -10.408 -8.147 10.397 1.00 0.00 N ATOM 369 CA TRP A 24 -9.753 -6.837 10.362 1.00 0.00 C ATOM 370 C TRP A 24 -9.229 -6.346 11.721 1.00 0.00 C ATOM 371 O TRP A 24 -9.824 -6.607 12.770 1.00 0.00 O ATOM 372 CB TRP A 24 -10.741 -5.774 9.866 1.00 0.00 C ATOM 373 CG TRP A 24 -11.185 -5.833 8.438 1.00 0.00 C ATOM 374 CD1 TRP A 24 -12.434 -6.131 8.027 1.00 0.00 C ATOM 375 CD2 TRP A 24 -10.445 -5.472 7.231 1.00 0.00 C ATOM 376 NE1 TRP A 24 -12.521 -6.010 6.660 1.00 0.00 N ATOM 377 CE2 TRP A 24 -11.323 -5.591 6.111 1.00 0.00 C ATOM 378 CE3 TRP A 24 -9.135 -5.014 6.970 1.00 0.00 C ATOM 379 CZ2 TRP A 24 -10.915 -5.293 4.802 1.00 0.00 C ATOM 380 CZ3 TRP A 24 -8.716 -4.700 5.662 1.00 0.00 C ATOM 381 CH2 TRP A 24 -9.600 -4.847 4.578 1.00 0.00 C ATOM 0 H TRP A 24 -11.404 -8.096 10.613 1.00 0.00 H new ATOM 0 HA TRP A 24 -8.900 -6.972 9.697 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -11.630 -5.827 10.494 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -10.290 -4.796 10.034 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -13.247 -6.422 8.676 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -13.363 -6.205 6.119 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.440 -4.902 7.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.602 -5.405 3.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -7.711 -4.345 5.491 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.270 -4.618 3.576 1.00 0.00 H new ATOM 392 N ALA A 25 -8.186 -5.514 11.663 1.00 0.00 N ATOM 393 CA ALA A 25 -7.645 -4.738 12.775 1.00 0.00 C ATOM 394 C ALA A 25 -7.235 -3.320 12.318 1.00 0.00 C ATOM 395 O ALA A 25 -6.837 -3.117 11.172 1.00 0.00 O ATOM 396 CB ALA A 25 -6.465 -5.502 13.389 1.00 0.00 C ATOM 0 H ALA A 25 -7.673 -5.358 10.795 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.414 -4.608 13.536 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.054 -4.930 14.221 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.808 -6.472 13.750 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.693 -5.648 12.633 1.00 0.00 H new ATOM 402 N LEU A 26 -7.314 -2.346 13.222 1.00 0.00 N ATOM 403 CA LEU A 26 -6.872 -0.959 13.051 1.00 0.00 C ATOM 404 C LEU A 26 -5.636 -0.754 13.936 1.00 0.00 C ATOM 405 O LEU A 26 -5.732 -0.888 15.156 1.00 0.00 O ATOM 406 CB LEU A 26 -8.052 -0.046 13.466 1.00 0.00 C ATOM 407 CG LEU A 26 -8.026 1.449 13.071 1.00 0.00 C ATOM 408 CD1 LEU A 26 -6.736 2.194 13.436 1.00 0.00 C ATOM 409 CD2 LEU A 26 -8.330 1.637 11.582 1.00 0.00 C ATOM 0 H LEU A 26 -7.711 -2.510 14.147 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.597 -0.721 12.024 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.963 -0.479 13.052 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.140 -0.097 14.551 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.814 1.900 13.674 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.814 3.234 13.119 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.586 2.154 14.515 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.890 1.724 12.934 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.304 2.699 11.337 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.583 1.109 10.989 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.319 1.237 11.359 1.00 0.00 H new ATOM 421 N TYR A 27 -4.482 -0.426 13.356 1.00 0.00 N ATOM 422 CA TYR A 27 -3.266 -0.108 14.119 1.00 0.00 C ATOM 423 C TYR A 27 -3.391 1.284 14.771 1.00 0.00 C ATOM 424 O TYR A 27 -3.281 2.306 14.094 1.00 0.00 O ATOM 425 CB TYR A 27 -2.064 -0.220 13.171 1.00 0.00 C ATOM 426 CG TYR A 27 -0.689 -0.263 13.815 1.00 0.00 C ATOM 427 CD1 TYR A 27 -0.317 -1.327 14.660 1.00 0.00 C ATOM 428 CD2 TYR A 27 0.267 0.710 13.478 1.00 0.00 C ATOM 429 CE1 TYR A 27 1.006 -1.423 15.133 1.00 0.00 C ATOM 430 CE2 TYR A 27 1.595 0.617 13.929 1.00 0.00 C ATOM 431 CZ TYR A 27 1.976 -0.473 14.737 1.00 0.00 C ATOM 432 OH TYR A 27 3.276 -0.624 15.110 1.00 0.00 O ATOM 0 H TYR A 27 -4.359 -0.372 12.345 1.00 0.00 H new ATOM 0 HA TYR A 27 -3.123 -0.812 14.938 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.187 -1.121 12.571 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -2.092 0.626 12.485 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.047 -2.070 14.945 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -0.024 1.546 12.860 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.281 -2.226 15.801 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.317 1.374 13.659 1.00 0.00 H new ATOM 0 HH TYR A 27 3.807 0.117 14.752 1.00 0.00 H new ATOM 442 N ILE A 28 -3.664 1.345 16.079 1.00 0.00 N ATOM 443 CA ILE A 28 -3.931 2.615 16.796 1.00 0.00 C ATOM 444 C ILE A 28 -2.671 3.345 17.280 1.00 0.00 C ATOM 445 O ILE A 28 -2.740 4.542 17.568 1.00 0.00 O ATOM 446 CB ILE A 28 -4.923 2.426 17.968 1.00 0.00 C ATOM 447 CG1 ILE A 28 -4.521 1.272 18.913 1.00 0.00 C ATOM 448 CG2 ILE A 28 -6.346 2.257 17.411 1.00 0.00 C ATOM 449 CD1 ILE A 28 -5.199 1.344 20.286 1.00 0.00 C ATOM 0 H ILE A 28 -3.708 0.520 16.678 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.390 3.257 16.044 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.894 3.322 18.588 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.772 0.322 18.441 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.440 1.284 19.049 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.046 2.124 18.236 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.621 3.144 16.841 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.381 1.383 16.761 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.872 0.504 20.898 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.927 2.278 20.777 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.281 1.301 20.160 1.00 0.00 H new ATOM 461 N GLY A 29 -1.523 2.667 17.353 1.00 0.00 N ATOM 462 CA GLY A 29 -0.240 3.274 17.702 1.00 0.00 C ATOM 463 C GLY A 29 0.877 2.251 17.620 1.00 0.00 C ATOM 464 O GLY A 29 0.646 1.127 17.184 1.00 0.00 O ATOM 0 H GLY A 29 -1.460 1.666 17.168 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.030 4.104 17.028 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.289 3.686 18.710 1.00 0.00 H new ATOM 468 N ASP A 30 2.083 2.642 18.027 1.00 0.00 N ATOM 469 CA ASP A 30 3.281 1.820 17.868 1.00 0.00 C ATOM 470 C ASP A 30 3.190 0.517 18.692 1.00 0.00 C ATOM 471 O ASP A 30 3.492 0.482 19.889 1.00 0.00 O ATOM 472 CB ASP A 30 4.538 2.631 18.220 1.00 0.00 C ATOM 473 CG ASP A 30 4.787 3.774 17.224 1.00 0.00 C ATOM 474 OD1 ASP A 30 5.308 3.502 16.115 1.00 0.00 O ATOM 475 OD2 ASP A 30 4.475 4.943 17.559 1.00 0.00 O ATOM 0 H ASP A 30 2.257 3.540 18.478 1.00 0.00 H new ATOM 0 HA ASP A 30 3.354 1.524 16.821 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.434 3.042 19.224 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.404 1.969 18.235 1.00 0.00 H new ATOM 480 N GLY A 31 2.756 -0.559 18.026 1.00 0.00 N ATOM 481 CA GLY A 31 2.579 -1.905 18.565 1.00 0.00 C ATOM 482 C GLY A 31 1.189 -2.238 19.106 1.00 0.00 C ATOM 483 O GLY A 31 1.021 -3.330 19.638 1.00 0.00 O ATOM 0 H GLY A 31 2.505 -0.507 17.039 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.823 -2.623 17.781 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.303 -2.051 19.367 1.00 0.00 H new ATOM 487 N TYR A 32 0.190 -1.364 18.958 1.00 0.00 N ATOM 488 CA TYR A 32 -1.169 -1.563 19.492 1.00 0.00 C ATOM 489 C TYR A 32 -2.254 -1.569 18.405 1.00 0.00 C ATOM 490 O TYR A 32 -2.211 -0.781 17.461 1.00 0.00 O ATOM 491 CB TYR A 32 -1.466 -0.508 20.565 1.00 0.00 C ATOM 492 CG TYR A 32 -0.699 -0.741 21.851 1.00 0.00 C ATOM 493 CD1 TYR A 32 -1.203 -1.638 22.813 1.00 0.00 C ATOM 494 CD2 TYR A 32 0.533 -0.096 22.069 1.00 0.00 C ATOM 495 CE1 TYR A 32 -0.478 -1.891 23.994 1.00 0.00 C ATOM 496 CE2 TYR A 32 1.266 -0.350 23.244 1.00 0.00 C ATOM 497 CZ TYR A 32 0.766 -1.253 24.210 1.00 0.00 C ATOM 498 OH TYR A 32 1.491 -1.512 25.333 1.00 0.00 O ATOM 0 H TYR A 32 0.300 -0.483 18.456 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.196 -2.556 19.941 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.219 0.479 20.175 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.534 -0.507 20.780 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.148 -2.133 22.645 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.917 0.595 21.333 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.872 -2.572 24.734 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.211 0.146 23.408 1.00 0.00 H new ATOM 0 HH TYR A 32 2.319 -0.988 25.316 1.00 0.00 H new ATOM 508 N VAL A 33 -3.257 -2.441 18.562 1.00 0.00 N ATOM 509 CA VAL A 33 -4.338 -2.665 17.589 1.00 0.00 C ATOM 510 C VAL A 33 -5.717 -2.706 18.243 1.00 0.00 C ATOM 511 O VAL A 33 -5.870 -3.104 19.395 1.00 0.00 O ATOM 512 CB VAL A 33 -4.165 -3.980 16.783 1.00 0.00 C ATOM 513 CG1 VAL A 33 -2.943 -3.931 15.860 1.00 0.00 C ATOM 514 CG2 VAL A 33 -4.084 -5.253 17.645 1.00 0.00 C ATOM 0 H VAL A 33 -3.343 -3.028 19.392 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.270 -1.811 16.915 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.079 -4.045 16.193 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.860 -4.872 15.315 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.055 -3.110 15.152 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.043 -3.776 16.455 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.964 -6.123 16.999 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.231 -5.182 18.320 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.000 -5.357 18.227 1.00 0.00 H new ATOM 524 N ILE A 34 -6.724 -2.315 17.471 1.00 0.00 N ATOM 525 CA ILE A 34 -8.152 -2.488 17.774 1.00 0.00 C ATOM 526 C ILE A 34 -8.661 -3.509 16.764 1.00 0.00 C ATOM 527 O ILE A 34 -8.358 -3.382 15.584 1.00 0.00 O ATOM 528 CB ILE A 34 -8.901 -1.144 17.635 1.00 0.00 C ATOM 529 CG1 ILE A 34 -8.459 -0.141 18.718 1.00 0.00 C ATOM 530 CG2 ILE A 34 -10.433 -1.327 17.625 1.00 0.00 C ATOM 531 CD1 ILE A 34 -8.922 -0.461 20.139 1.00 0.00 C ATOM 0 H ILE A 34 -6.568 -1.848 16.578 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.315 -2.827 18.797 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.628 -0.728 16.665 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.370 -0.084 18.713 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.831 0.847 18.447 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -10.915 -0.354 17.526 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.718 -1.961 16.785 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.750 -1.795 18.557 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.557 0.306 20.822 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.011 -0.486 20.170 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.528 -1.432 20.440 1.00 0.00 H new ATOM 543 N HIS A 35 -9.429 -4.510 17.175 1.00 0.00 N ATOM 544 CA HIS A 35 -9.938 -5.525 16.249 1.00 0.00 C ATOM 545 C HIS A 35 -11.306 -6.067 16.681 1.00 0.00 C ATOM 546 O HIS A 35 -11.635 -6.063 17.866 1.00 0.00 O ATOM 547 CB HIS A 35 -8.881 -6.630 16.024 1.00 0.00 C ATOM 548 CG HIS A 35 -8.601 -7.606 17.148 1.00 0.00 C ATOM 549 ND1 HIS A 35 -7.949 -8.813 16.997 1.00 0.00 N ATOM 550 CD2 HIS A 35 -8.907 -7.494 18.480 1.00 0.00 C ATOM 551 CE1 HIS A 35 -7.894 -9.418 18.196 1.00 0.00 C ATOM 552 NE2 HIS A 35 -8.469 -8.651 19.137 1.00 0.00 N ATOM 0 H HIS A 35 -9.716 -4.645 18.145 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.113 -5.052 15.283 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -9.187 -7.208 15.152 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.941 -6.141 15.768 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.403 -6.654 18.945 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.450 -10.385 18.377 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -8.567 -8.867 20.129 1.00 0.00 H new ATOM 560 N LEU A 36 -12.102 -6.532 15.715 1.00 0.00 N ATOM 561 CA LEU A 36 -13.365 -7.210 15.985 1.00 0.00 C ATOM 562 C LEU A 36 -13.091 -8.706 16.131 1.00 0.00 C ATOM 563 O LEU A 36 -12.742 -9.362 15.151 1.00 0.00 O ATOM 564 CB LEU A 36 -14.336 -6.905 14.829 1.00 0.00 C ATOM 565 CG LEU A 36 -15.752 -7.471 15.049 1.00 0.00 C ATOM 566 CD1 LEU A 36 -16.522 -6.616 16.063 1.00 0.00 C ATOM 567 CD2 LEU A 36 -16.519 -7.488 13.726 1.00 0.00 C ATOM 0 H LEU A 36 -11.885 -6.447 14.722 1.00 0.00 H new ATOM 0 HA LEU A 36 -13.822 -6.861 16.911 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -14.402 -5.825 14.696 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.929 -7.316 13.905 1.00 0.00 H new ATOM 0 HG LEU A 36 -15.658 -8.486 15.434 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.520 -7.031 16.206 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -15.991 -6.614 17.015 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -16.604 -5.595 15.690 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -17.519 -7.890 13.890 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -16.595 -6.473 13.336 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -15.990 -8.114 13.007 1.00 0.00 H new ATOM 579 N ALA A 37 -13.274 -9.264 17.324 1.00 0.00 N ATOM 580 CA ALA A 37 -13.257 -10.706 17.554 1.00 0.00 C ATOM 581 C ALA A 37 -14.578 -11.308 17.023 1.00 0.00 C ATOM 582 O ALA A 37 -15.639 -10.927 17.531 1.00 0.00 O ATOM 583 CB ALA A 37 -13.061 -10.954 19.056 1.00 0.00 C ATOM 0 H ALA A 37 -13.441 -8.720 18.171 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.437 -11.191 17.024 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.046 -12.027 19.249 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.117 -10.514 19.377 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.881 -10.498 19.610 1.00 0.00 H new ATOM 589 N PRO A 38 -14.551 -12.185 15.994 1.00 0.00 N ATOM 590 CA PRO A 38 -15.758 -12.706 15.355 1.00 0.00 C ATOM 591 C PRO A 38 -16.315 -13.940 16.095 1.00 0.00 C ATOM 592 O PRO A 38 -15.554 -14.637 16.770 1.00 0.00 O ATOM 593 CB PRO A 38 -15.318 -13.072 13.933 1.00 0.00 C ATOM 594 CG PRO A 38 -13.866 -13.506 14.115 1.00 0.00 C ATOM 595 CD PRO A 38 -13.369 -12.623 15.256 1.00 0.00 C ATOM 0 HA PRO A 38 -16.565 -11.974 15.367 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.928 -13.874 13.517 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -15.402 -12.223 13.255 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.792 -14.564 14.365 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.284 -13.352 13.206 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.690 -13.176 15.905 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.815 -11.767 14.870 1.00 0.00 H new ATOM 603 N PRO A 39 -17.612 -14.270 15.915 1.00 0.00 N ATOM 604 CA PRO A 39 -18.229 -15.500 16.413 1.00 0.00 C ATOM 605 C PRO A 39 -17.870 -16.706 15.515 1.00 0.00 C ATOM 606 O PRO A 39 -18.733 -17.419 15.004 1.00 0.00 O ATOM 607 CB PRO A 39 -19.727 -15.175 16.469 1.00 0.00 C ATOM 608 CG PRO A 39 -19.914 -14.251 15.267 1.00 0.00 C ATOM 609 CD PRO A 39 -18.618 -13.439 15.265 1.00 0.00 C ATOM 0 HA PRO A 39 -17.870 -15.803 17.397 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -20.340 -16.073 16.389 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -20.001 -14.685 17.403 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -20.042 -14.812 14.341 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -20.791 -13.614 15.378 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -18.317 -13.189 14.247 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -18.748 -12.498 15.799 1.00 0.00 H new ATOM 842 N SER A 57 -21.337 -13.758 20.049 1.00 0.00 N ATOM 843 CA SER A 57 -21.506 -12.581 19.189 1.00 0.00 C ATOM 844 C SER A 57 -20.133 -11.957 18.862 1.00 0.00 C ATOM 845 O SER A 57 -19.121 -12.345 19.453 1.00 0.00 O ATOM 846 CB SER A 57 -22.410 -11.553 19.889 1.00 0.00 C ATOM 847 OG SER A 57 -23.714 -12.084 20.098 1.00 0.00 O ATOM 0 HA SER A 57 -21.976 -12.886 18.254 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.971 -11.268 20.845 1.00 0.00 H new ATOM 0 HB3 SER A 57 -22.474 -10.648 19.285 1.00 0.00 H new ATOM 0 HG SER A 57 -23.659 -13.058 20.196 1.00 0.00 H new ATOM 853 N ALA A 58 -20.067 -10.987 17.941 1.00 0.00 N ATOM 854 CA ALA A 58 -18.824 -10.263 17.673 1.00 0.00 C ATOM 855 C ALA A 58 -18.558 -9.210 18.768 1.00 0.00 C ATOM 856 O ALA A 58 -19.504 -8.586 19.249 1.00 0.00 O ATOM 857 CB ALA A 58 -18.899 -9.638 16.273 1.00 0.00 C ATOM 0 H ALA A 58 -20.859 -10.688 17.372 1.00 0.00 H new ATOM 0 HA ALA A 58 -17.981 -10.954 17.695 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.976 -9.097 16.066 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -19.033 -10.424 15.530 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -19.742 -8.949 16.227 1.00 0.00 H new ATOM 863 N GLU A 59 -17.292 -8.974 19.134 1.00 0.00 N ATOM 864 CA GLU A 59 -16.898 -7.963 20.132 1.00 0.00 C ATOM 865 C GLU A 59 -15.689 -7.155 19.644 1.00 0.00 C ATOM 866 O GLU A 59 -14.711 -7.740 19.179 1.00 0.00 O ATOM 867 CB GLU A 59 -16.576 -8.638 21.480 1.00 0.00 C ATOM 868 CG GLU A 59 -16.432 -7.619 22.618 1.00 0.00 C ATOM 869 CD GLU A 59 -16.121 -8.307 23.956 1.00 0.00 C ATOM 870 OE1 GLU A 59 -16.984 -9.051 24.479 1.00 0.00 O ATOM 871 OE2 GLU A 59 -15.007 -8.106 24.495 1.00 0.00 O ATOM 0 H GLU A 59 -16.500 -9.484 18.743 1.00 0.00 H new ATOM 0 HA GLU A 59 -17.735 -7.279 20.270 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.366 -9.347 21.727 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.652 -9.209 21.387 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.637 -6.914 22.377 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -17.352 -7.042 22.710 1.00 0.00 H new ATOM 878 N VAL A 60 -15.731 -5.826 19.769 1.00 0.00 N ATOM 879 CA VAL A 60 -14.587 -4.937 19.487 1.00 0.00 C ATOM 880 C VAL A 60 -13.663 -4.876 20.709 1.00 0.00 C ATOM 881 O VAL A 60 -14.105 -4.536 21.808 1.00 0.00 O ATOM 882 CB VAL A 60 -15.031 -3.512 19.095 1.00 0.00 C ATOM 883 CG1 VAL A 60 -13.813 -2.617 18.788 1.00 0.00 C ATOM 884 CG2 VAL A 60 -15.941 -3.530 17.860 1.00 0.00 C ATOM 0 H VAL A 60 -16.567 -5.326 20.072 1.00 0.00 H new ATOM 0 HA VAL A 60 -14.053 -5.356 18.634 1.00 0.00 H new ATOM 0 HB VAL A 60 -15.580 -3.109 19.946 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -14.155 -1.619 18.515 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -13.176 -2.554 19.671 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.246 -3.045 17.962 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -16.236 -2.511 17.610 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -15.404 -3.969 17.019 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -16.830 -4.123 18.072 1.00 0.00 H new ATOM 894 N LYS A 61 -12.376 -5.180 20.511 1.00 0.00 N ATOM 895 CA LYS A 61 -11.370 -5.368 21.573 1.00 0.00 C ATOM 896 C LYS A 61 -10.035 -4.654 21.251 1.00 0.00 C ATOM 897 O LYS A 61 -9.721 -4.404 20.084 1.00 0.00 O ATOM 898 CB LYS A 61 -11.149 -6.886 21.779 1.00 0.00 C ATOM 899 CG LYS A 61 -12.441 -7.675 22.068 1.00 0.00 C ATOM 900 CD LYS A 61 -12.186 -9.178 22.266 1.00 0.00 C ATOM 901 CE LYS A 61 -11.624 -9.510 23.656 1.00 0.00 C ATOM 902 NZ LYS A 61 -12.690 -9.624 24.688 1.00 0.00 N ATOM 0 H LYS A 61 -11.988 -5.307 19.576 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.743 -4.915 22.491 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.676 -7.298 20.888 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.454 -7.032 22.606 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.917 -7.271 22.961 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.140 -7.535 21.243 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.118 -9.722 22.117 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.488 -9.527 21.505 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.069 -10.447 23.606 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.916 -8.736 23.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.313 -9.328 25.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.491 -9.013 24.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.012 -10.611 24.747 1.00 0.00 H new ATOM 916 N ARG A 62 -9.237 -4.348 22.285 1.00 0.00 N ATOM 917 CA ARG A 62 -7.897 -3.731 22.190 1.00 0.00 C ATOM 918 C ARG A 62 -6.799 -4.742 22.569 1.00 0.00 C ATOM 919 O ARG A 62 -6.915 -5.411 23.594 1.00 0.00 O ATOM 920 CB ARG A 62 -7.845 -2.492 23.109 1.00 0.00 C ATOM 921 CG ARG A 62 -6.558 -1.667 22.934 1.00 0.00 C ATOM 922 CD ARG A 62 -6.563 -0.443 23.864 1.00 0.00 C ATOM 923 NE ARG A 62 -5.341 0.372 23.700 1.00 0.00 N ATOM 924 CZ ARG A 62 -4.139 0.144 24.224 1.00 0.00 C ATOM 925 NH1 ARG A 62 -3.892 -0.902 24.986 1.00 0.00 N ATOM 926 NH2 ARG A 62 -3.151 0.979 23.983 1.00 0.00 N ATOM 0 H ARG A 62 -9.514 -4.529 23.250 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.715 -3.423 21.160 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.707 -1.858 22.904 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.926 -2.813 24.147 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.690 -2.290 23.150 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.467 -1.342 21.898 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.440 0.170 23.655 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.644 -0.773 24.900 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.429 1.205 23.118 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.635 -1.570 25.192 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.958 -1.044 25.370 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.307 1.798 23.396 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.229 0.807 24.383 1.00 0.00 H new ATOM 940 N GLU A 63 -5.735 -4.828 21.768 1.00 0.00 N ATOM 941 CA GLU A 63 -4.628 -5.788 21.919 1.00 0.00 C ATOM 942 C GLU A 63 -3.318 -5.232 21.344 1.00 0.00 C ATOM 943 O GLU A 63 -3.317 -4.203 20.662 1.00 0.00 O ATOM 944 CB GLU A 63 -4.939 -7.094 21.157 1.00 0.00 C ATOM 945 CG GLU A 63 -6.176 -7.882 21.594 1.00 0.00 C ATOM 946 CD GLU A 63 -6.125 -8.416 23.041 1.00 0.00 C ATOM 947 OE1 GLU A 63 -5.032 -8.475 23.657 1.00 0.00 O ATOM 948 OE2 GLU A 63 -7.189 -8.831 23.562 1.00 0.00 O ATOM 0 H GLU A 63 -5.612 -4.211 20.966 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.518 -5.973 22.988 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.050 -6.850 20.100 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.073 -7.750 21.244 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.053 -7.243 21.488 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.312 -8.724 20.915 1.00 0.00 H new ATOM 955 N ARG A 64 -2.201 -5.933 21.566 1.00 0.00 N ATOM 956 CA ARG A 64 -0.930 -5.656 20.890 1.00 0.00 C ATOM 957 C ARG A 64 -0.841 -6.372 19.537 1.00 0.00 C ATOM 958 O ARG A 64 -1.352 -7.481 19.365 1.00 0.00 O ATOM 959 CB ARG A 64 0.259 -6.059 21.765 1.00 0.00 C ATOM 960 CG ARG A 64 0.512 -5.013 22.865 1.00 0.00 C ATOM 961 CD ARG A 64 1.876 -5.199 23.548 1.00 0.00 C ATOM 962 NE ARG A 64 2.962 -5.192 22.554 1.00 0.00 N ATOM 963 CZ ARG A 64 3.616 -4.161 22.044 1.00 0.00 C ATOM 964 NH1 ARG A 64 3.573 -2.955 22.573 1.00 0.00 N ATOM 965 NH2 ARG A 64 4.319 -4.367 20.954 1.00 0.00 N ATOM 0 H ARG A 64 -2.153 -6.712 22.223 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.893 -4.581 20.714 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.068 -7.031 22.219 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.151 -6.165 21.147 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.459 -4.014 22.432 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.278 -5.078 23.613 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.036 -4.402 24.274 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.887 -6.139 24.099 1.00 0.00 H new ATOM 0 HE ARG A 64 3.250 -6.108 22.211 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.018 -2.786 23.412 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.095 -2.191 22.144 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.346 -5.295 20.532 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.838 -3.599 20.529 1.00 0.00 H new ATOM 979 N LEU A 65 -0.129 -5.758 18.583 1.00 0.00 N ATOM 980 CA LEU A 65 0.052 -6.261 17.216 1.00 0.00 C ATOM 981 C LEU A 65 0.557 -7.706 17.210 1.00 0.00 C ATOM 982 O LEU A 65 -0.156 -8.582 16.725 1.00 0.00 O ATOM 983 CB LEU A 65 0.994 -5.305 16.450 1.00 0.00 C ATOM 984 CG LEU A 65 1.320 -5.757 15.006 1.00 0.00 C ATOM 985 CD1 LEU A 65 0.073 -5.751 14.111 1.00 0.00 C ATOM 986 CD2 LEU A 65 2.400 -4.860 14.393 1.00 0.00 C ATOM 0 H LEU A 65 0.350 -4.873 18.746 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.911 -6.281 16.706 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.539 -4.315 16.415 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.926 -5.207 17.007 1.00 0.00 H new ATOM 0 HG LEU A 65 1.689 -6.781 15.064 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.345 -6.074 13.106 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.673 -6.431 14.522 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.340 -4.743 14.069 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.616 -5.193 13.378 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.047 -3.829 14.369 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.307 -4.919 14.995 1.00 0.00 H new ATOM 998 N GLU A 66 1.746 -7.966 17.760 1.00 0.00 N ATOM 999 CA GLU A 66 2.392 -9.282 17.689 1.00 0.00 C ATOM 1000 C GLU A 66 1.643 -10.385 18.455 1.00 0.00 C ATOM 1001 O GLU A 66 1.809 -11.557 18.131 1.00 0.00 O ATOM 1002 CB GLU A 66 3.874 -9.182 18.097 1.00 0.00 C ATOM 1003 CG GLU A 66 4.168 -9.038 19.600 1.00 0.00 C ATOM 1004 CD GLU A 66 3.654 -7.741 20.241 1.00 0.00 C ATOM 1005 OE1 GLU A 66 3.550 -6.696 19.556 1.00 0.00 O ATOM 1006 OE2 GLU A 66 3.373 -7.746 21.461 1.00 0.00 O ATOM 0 H GLU A 66 2.290 -7.269 18.269 1.00 0.00 H new ATOM 0 HA GLU A 66 2.347 -9.596 16.646 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.388 -10.072 17.733 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.312 -8.328 17.581 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.725 -9.885 20.124 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.246 -9.098 19.751 1.00 0.00 H new ATOM 1013 N ASP A 67 0.770 -10.047 19.412 1.00 0.00 N ATOM 1014 CA ASP A 67 -0.137 -11.026 20.028 1.00 0.00 C ATOM 1015 C ASP A 67 -1.249 -11.452 19.048 1.00 0.00 C ATOM 1016 O ASP A 67 -1.612 -12.630 18.998 1.00 0.00 O ATOM 1017 CB ASP A 67 -0.734 -10.436 21.312 1.00 0.00 C ATOM 1018 CG ASP A 67 -1.571 -11.480 22.068 1.00 0.00 C ATOM 1019 OD1 ASP A 67 -0.978 -12.291 22.819 1.00 0.00 O ATOM 1020 OD2 ASP A 67 -2.817 -11.477 21.919 1.00 0.00 O ATOM 0 H ASP A 67 0.672 -9.100 19.778 1.00 0.00 H new ATOM 0 HA ASP A 67 0.433 -11.921 20.279 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.068 -10.074 21.956 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.357 -9.577 21.065 1.00 0.00 H new ATOM 1025 N VAL A 68 -1.741 -10.510 18.230 1.00 0.00 N ATOM 1026 CA VAL A 68 -2.752 -10.764 17.193 1.00 0.00 C ATOM 1027 C VAL A 68 -2.141 -11.405 15.931 1.00 0.00 C ATOM 1028 O VAL A 68 -2.710 -12.374 15.430 1.00 0.00 O ATOM 1029 CB VAL A 68 -3.580 -9.499 16.863 1.00 0.00 C ATOM 1030 CG1 VAL A 68 -4.664 -9.780 15.808 1.00 0.00 C ATOM 1031 CG2 VAL A 68 -4.294 -8.975 18.122 1.00 0.00 C ATOM 0 H VAL A 68 -1.443 -9.535 18.271 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.448 -11.493 17.607 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.874 -8.763 16.478 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.221 -8.865 15.606 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.195 -10.129 14.888 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.345 -10.545 16.181 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.871 -8.085 17.869 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.963 -9.744 18.507 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.554 -8.724 18.882 1.00 0.00 H new ATOM 1041 N VAL A 69 -0.991 -10.924 15.428 1.00 0.00 N ATOM 1042 CA VAL A 69 -0.331 -11.468 14.228 1.00 0.00 C ATOM 1043 C VAL A 69 0.659 -12.621 14.502 1.00 0.00 C ATOM 1044 O VAL A 69 1.236 -13.152 13.556 1.00 0.00 O ATOM 1045 CB VAL A 69 0.357 -10.360 13.398 1.00 0.00 C ATOM 1046 CG1 VAL A 69 -0.644 -9.301 12.920 1.00 0.00 C ATOM 1047 CG2 VAL A 69 1.578 -9.693 14.039 1.00 0.00 C ATOM 0 H VAL A 69 -0.489 -10.140 15.846 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.146 -11.901 13.647 1.00 0.00 H new ATOM 0 HB VAL A 69 0.757 -10.904 12.542 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.120 -8.541 12.341 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.403 -9.773 12.297 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.121 -8.835 13.783 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.974 -8.934 13.364 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.286 -9.226 14.979 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.344 -10.444 14.230 1.00 0.00 H new ATOM 1057 N GLY A 70 0.876 -13.018 15.764 1.00 0.00 N ATOM 1058 CA GLY A 70 1.876 -14.023 16.149 1.00 0.00 C ATOM 1059 C GLY A 70 1.565 -15.411 15.585 1.00 0.00 C ATOM 1060 O GLY A 70 0.611 -16.060 16.015 1.00 0.00 O ATOM 0 H GLY A 70 0.354 -12.644 16.557 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.858 -13.705 15.799 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.928 -14.080 17.236 1.00 0.00 H new ATOM 1064 N GLY A 71 2.380 -15.856 14.619 1.00 0.00 N ATOM 1065 CA GLY A 71 2.199 -17.113 13.874 1.00 0.00 C ATOM 1066 C GLY A 71 1.183 -17.027 12.724 1.00 0.00 C ATOM 1067 O GLY A 71 0.856 -18.055 12.129 1.00 0.00 O ATOM 0 H GLY A 71 3.208 -15.338 14.325 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.162 -17.424 13.469 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.879 -17.890 14.568 1.00 0.00 H new ATOM 1071 N CYS A 72 0.674 -15.826 12.417 1.00 0.00 N ATOM 1072 CA CYS A 72 -0.407 -15.565 11.458 1.00 0.00 C ATOM 1073 C CYS A 72 0.080 -14.793 10.217 1.00 0.00 C ATOM 1074 O CYS A 72 1.015 -13.990 10.294 1.00 0.00 O ATOM 1075 CB CYS A 72 -1.499 -14.737 12.167 1.00 0.00 C ATOM 1076 SG CYS A 72 -2.049 -15.544 13.703 1.00 0.00 S ATOM 0 H CYS A 72 1.021 -14.971 12.851 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.792 -16.525 11.115 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -1.114 -13.743 12.394 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.350 -14.605 11.498 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.007 -16.381 13.434 1.00 0.00 H new ATOM 1082 N CYS A 73 -0.605 -14.980 9.085 1.00 0.00 N ATOM 1083 CA CYS A 73 -0.424 -14.165 7.875 1.00 0.00 C ATOM 1084 C CYS A 73 -1.254 -12.872 7.975 1.00 0.00 C ATOM 1085 O CYS A 73 -2.327 -12.865 8.583 1.00 0.00 O ATOM 1086 CB CYS A 73 -0.805 -14.999 6.638 1.00 0.00 C ATOM 1087 SG CYS A 73 0.287 -16.450 6.510 1.00 0.00 S ATOM 0 H CYS A 73 -1.310 -15.710 8.980 1.00 0.00 H new ATOM 0 HA CYS A 73 0.621 -13.871 7.778 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.844 -15.320 6.711 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -0.722 -14.390 5.738 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.042 -17.150 5.465 1.00 0.00 H new ATOM 1093 N TYR A 74 -0.791 -11.788 7.347 1.00 0.00 N ATOM 1094 CA TYR A 74 -1.485 -10.489 7.325 1.00 0.00 C ATOM 1095 C TYR A 74 -1.030 -9.558 6.185 1.00 0.00 C ATOM 1096 O TYR A 74 0.064 -9.723 5.640 1.00 0.00 O ATOM 1097 CB TYR A 74 -1.380 -9.788 8.694 1.00 0.00 C ATOM 1098 CG TYR A 74 0.006 -9.324 9.110 1.00 0.00 C ATOM 1099 CD1 TYR A 74 0.917 -10.236 9.680 1.00 0.00 C ATOM 1100 CD2 TYR A 74 0.374 -7.971 8.968 1.00 0.00 C ATOM 1101 CE1 TYR A 74 2.187 -9.802 10.108 1.00 0.00 C ATOM 1102 CE2 TYR A 74 1.640 -7.528 9.401 1.00 0.00 C ATOM 1103 CZ TYR A 74 2.553 -8.444 9.972 1.00 0.00 C ATOM 1104 OH TYR A 74 3.788 -8.033 10.374 1.00 0.00 O ATOM 0 H TYR A 74 0.089 -11.784 6.831 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.532 -10.711 7.120 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.042 -8.922 8.686 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -1.755 -10.470 9.457 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.640 -11.274 9.789 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.318 -7.270 8.525 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.881 -10.507 10.540 1.00 0.00 H new ATOM 0 HE2 TYR A 74 1.913 -6.488 9.297 1.00 0.00 H new ATOM 0 HH TYR A 74 3.882 -7.071 10.211 1.00 0.00 H new ATOM 1114 N ARG A 75 -1.870 -8.570 5.846 1.00 0.00 N ATOM 1115 CA ARG A 75 -1.648 -7.512 4.838 1.00 0.00 C ATOM 1116 C ARG A 75 -2.326 -6.207 5.292 1.00 0.00 C ATOM 1117 O ARG A 75 -3.206 -6.264 6.148 1.00 0.00 O ATOM 1118 CB ARG A 75 -2.239 -7.957 3.479 1.00 0.00 C ATOM 1119 CG ARG A 75 -1.560 -9.172 2.818 1.00 0.00 C ATOM 1120 CD ARG A 75 -0.117 -8.909 2.368 1.00 0.00 C ATOM 1121 NE ARG A 75 -0.078 -7.998 1.207 1.00 0.00 N ATOM 1122 CZ ARG A 75 0.768 -6.997 0.979 1.00 0.00 C ATOM 1123 NH1 ARG A 75 1.699 -6.638 1.837 1.00 0.00 N ATOM 1124 NH2 ARG A 75 0.684 -6.327 -0.149 1.00 0.00 N ATOM 0 H ARG A 75 -2.782 -8.478 6.294 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.577 -7.341 4.729 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.295 -8.188 3.621 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.187 -7.115 2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.565 -10.005 3.521 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.149 -9.480 1.954 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.451 -8.477 3.192 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.364 -9.852 2.110 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.787 -8.156 0.491 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.795 -7.135 2.723 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.324 -5.863 1.616 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.025 -6.577 -0.839 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.328 -5.558 -0.334 1.00 0.00 H new ATOM 1138 N VAL A 76 -1.977 -5.050 4.720 1.00 0.00 N ATOM 1139 CA VAL A 76 -2.703 -3.770 4.928 1.00 0.00 C ATOM 1140 C VAL A 76 -3.361 -3.307 3.622 1.00 0.00 C ATOM 1141 O VAL A 76 -2.788 -3.484 2.547 1.00 0.00 O ATOM 1142 CB VAL A 76 -1.797 -2.664 5.522 1.00 0.00 C ATOM 1143 CG1 VAL A 76 -2.505 -1.306 5.709 1.00 0.00 C ATOM 1144 CG2 VAL A 76 -1.258 -3.112 6.891 1.00 0.00 C ATOM 0 H VAL A 76 -1.178 -4.963 4.093 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.484 -3.958 5.664 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.996 -2.519 4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.804 -0.585 6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.861 -0.946 4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.351 -1.427 6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.621 -2.330 7.305 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.092 -3.296 7.568 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.678 -4.027 6.772 1.00 0.00 H new ATOM 1154 N ASN A 77 -4.559 -2.718 3.720 1.00 0.00 N ATOM 1155 CA ASN A 77 -5.367 -2.274 2.576 1.00 0.00 C ATOM 1156 C ASN A 77 -5.977 -0.861 2.772 1.00 0.00 C ATOM 1157 O ASN A 77 -6.392 -0.497 3.871 1.00 0.00 O ATOM 1158 CB ASN A 77 -6.463 -3.327 2.335 1.00 0.00 C ATOM 1159 CG ASN A 77 -7.153 -3.149 0.987 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -8.014 -2.295 0.821 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -6.761 -3.905 -0.024 1.00 0.00 N ATOM 0 H ASN A 77 -5.005 -2.532 4.618 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.719 -2.186 1.704 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.024 -4.323 2.387 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.205 -3.264 3.131 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.176 -3.778 -0.947 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.043 -4.615 0.119 1.00 0.00 H new ATOM 1168 N ASN A 78 -6.066 -0.084 1.681 1.00 0.00 N ATOM 1169 CA ASN A 78 -6.664 1.266 1.629 1.00 0.00 C ATOM 1170 C ASN A 78 -7.544 1.474 0.367 1.00 0.00 C ATOM 1171 O ASN A 78 -7.757 2.601 -0.082 1.00 0.00 O ATOM 1172 CB ASN A 78 -5.525 2.306 1.687 1.00 0.00 C ATOM 1173 CG ASN A 78 -4.771 2.311 3.015 1.00 0.00 C ATOM 1174 OD1 ASN A 78 -3.757 1.643 3.181 1.00 0.00 O ATOM 1175 ND2 ASN A 78 -5.235 3.080 3.984 1.00 0.00 N ATOM 0 H ASN A 78 -5.711 -0.388 0.774 1.00 0.00 H new ATOM 0 HA ASN A 78 -7.329 1.388 2.484 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -4.821 2.107 0.879 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -5.940 3.298 1.511 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.748 3.121 4.880 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -6.080 3.632 3.837 1.00 0.00 H new ATOM 1182 N SER A 79 -8.047 0.396 -0.250 1.00 0.00 N ATOM 1183 CA SER A 79 -8.703 0.441 -1.569 1.00 0.00 C ATOM 1184 C SER A 79 -9.978 1.298 -1.599 1.00 0.00 C ATOM 1185 O SER A 79 -10.122 2.166 -2.465 1.00 0.00 O ATOM 1186 CB SER A 79 -8.979 -0.993 -2.053 1.00 0.00 C ATOM 1187 OG SER A 79 -9.445 -1.008 -3.394 1.00 0.00 O ATOM 0 H SER A 79 -8.011 -0.540 0.153 1.00 0.00 H new ATOM 0 HA SER A 79 -8.014 0.935 -2.254 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.068 -1.586 -1.977 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.719 -1.461 -1.404 1.00 0.00 H new ATOM 0 HG SER A 79 -9.610 -1.933 -3.673 1.00 0.00 H new ATOM 1193 N LEU A 80 -10.874 1.107 -0.623 1.00 0.00 N ATOM 1194 CA LEU A 80 -12.121 1.874 -0.534 1.00 0.00 C ATOM 1195 C LEU A 80 -11.873 3.318 -0.070 1.00 0.00 C ATOM 1196 O LEU A 80 -12.528 4.239 -0.544 1.00 0.00 O ATOM 1197 CB LEU A 80 -13.111 1.128 0.379 1.00 0.00 C ATOM 1198 CG LEU A 80 -14.573 1.547 0.140 1.00 0.00 C ATOM 1199 CD1 LEU A 80 -15.134 0.959 -1.165 1.00 0.00 C ATOM 1200 CD2 LEU A 80 -15.444 1.095 1.321 1.00 0.00 C ATOM 0 H LEU A 80 -10.756 0.421 0.122 1.00 0.00 H new ATOM 0 HA LEU A 80 -12.560 1.955 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -13.013 0.055 0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.850 1.315 1.421 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.593 2.633 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -16.168 1.280 -1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -14.538 1.309 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -15.095 -0.129 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -16.477 1.394 1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -15.392 0.011 1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.082 1.559 2.239 1.00 0.00 H new ATOM 1212 N ASP A 81 -10.884 3.542 0.801 1.00 0.00 N ATOM 1213 CA ASP A 81 -10.483 4.880 1.256 1.00 0.00 C ATOM 1214 C ASP A 81 -10.029 5.774 0.094 1.00 0.00 C ATOM 1215 O ASP A 81 -10.357 6.961 0.061 1.00 0.00 O ATOM 1216 CB ASP A 81 -9.355 4.757 2.290 1.00 0.00 C ATOM 1217 CG ASP A 81 -9.810 4.059 3.565 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -9.843 2.809 3.601 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -10.130 4.793 4.527 1.00 0.00 O ATOM 0 H ASP A 81 -10.332 2.791 1.216 1.00 0.00 H new ATOM 0 HA ASP A 81 -11.356 5.350 1.709 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.524 4.204 1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.982 5.751 2.537 1.00 0.00 H new ATOM 1224 N HIS A 82 -9.344 5.187 -0.890 1.00 0.00 N ATOM 1225 CA HIS A 82 -8.924 5.860 -2.121 1.00 0.00 C ATOM 1226 C HIS A 82 -10.121 6.302 -3.005 1.00 0.00 C ATOM 1227 O HIS A 82 -9.960 7.182 -3.859 1.00 0.00 O ATOM 1228 CB HIS A 82 -7.961 4.916 -2.870 1.00 0.00 C ATOM 1229 CG HIS A 82 -7.038 5.585 -3.865 1.00 0.00 C ATOM 1230 ND1 HIS A 82 -7.368 6.566 -4.773 1.00 0.00 N ATOM 1231 CD2 HIS A 82 -5.708 5.305 -4.053 1.00 0.00 C ATOM 1232 CE1 HIS A 82 -6.269 6.872 -5.481 1.00 0.00 C ATOM 1233 NE2 HIS A 82 -5.224 6.126 -5.080 1.00 0.00 N ATOM 0 H HIS A 82 -9.060 4.208 -0.852 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.412 6.789 -1.868 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.354 4.387 -2.136 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.551 4.165 -3.396 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -8.289 6.988 -4.888 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.132 4.576 -3.503 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.229 7.615 -6.264 1.00 0.00 H new ATOM 1241 N GLU A 83 -11.322 5.745 -2.795 1.00 0.00 N ATOM 1242 CA GLU A 83 -12.545 6.180 -3.482 1.00 0.00 C ATOM 1243 C GLU A 83 -13.155 7.447 -2.855 1.00 0.00 C ATOM 1244 O GLU A 83 -13.898 8.160 -3.535 1.00 0.00 O ATOM 1245 CB GLU A 83 -13.615 5.066 -3.501 1.00 0.00 C ATOM 1246 CG GLU A 83 -13.173 3.764 -4.182 1.00 0.00 C ATOM 1247 CD GLU A 83 -12.913 3.966 -5.683 1.00 0.00 C ATOM 1248 OE1 GLU A 83 -13.894 4.044 -6.461 1.00 0.00 O ATOM 1249 OE2 GLU A 83 -11.732 4.028 -6.103 1.00 0.00 O ATOM 0 H GLU A 83 -11.472 4.977 -2.141 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.242 6.410 -4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.906 4.843 -2.474 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.503 5.442 -4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.267 3.392 -3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.941 3.003 -4.045 1.00 0.00 H new ATOM 1256 N TYR A 84 -12.857 7.742 -1.580 1.00 0.00 N ATOM 1257 CA TYR A 84 -13.540 8.793 -0.811 1.00 0.00 C ATOM 1258 C TYR A 84 -12.643 9.952 -0.347 1.00 0.00 C ATOM 1259 O TYR A 84 -12.983 11.112 -0.590 1.00 0.00 O ATOM 1260 CB TYR A 84 -14.221 8.171 0.423 1.00 0.00 C ATOM 1261 CG TYR A 84 -15.138 6.984 0.190 1.00 0.00 C ATOM 1262 CD1 TYR A 84 -15.981 6.914 -0.940 1.00 0.00 C ATOM 1263 CD2 TYR A 84 -15.154 5.941 1.136 1.00 0.00 C ATOM 1264 CE1 TYR A 84 -16.789 5.782 -1.153 1.00 0.00 C ATOM 1265 CE2 TYR A 84 -15.975 4.817 0.943 1.00 0.00 C ATOM 1266 CZ TYR A 84 -16.776 4.723 -0.219 1.00 0.00 C ATOM 1267 OH TYR A 84 -17.531 3.616 -0.447 1.00 0.00 O ATOM 0 H TYR A 84 -12.132 7.256 -1.052 1.00 0.00 H new ATOM 0 HA TYR A 84 -14.262 9.227 -1.502 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -13.441 7.862 1.119 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -14.799 8.951 0.918 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -16.006 7.733 -1.644 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -14.531 6.005 2.016 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -17.418 5.723 -2.029 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -15.994 4.027 1.680 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.622 3.475 -1.413 1.00 0.00 H new ATOM 1277 N GLN A 85 -11.569 9.675 0.409 1.00 0.00 N ATOM 1278 CA GLN A 85 -11.202 10.557 1.525 1.00 0.00 C ATOM 1279 C GLN A 85 -9.694 10.855 1.699 1.00 0.00 C ATOM 1280 O GLN A 85 -8.864 9.985 1.417 1.00 0.00 O ATOM 1281 CB GLN A 85 -11.837 9.996 2.810 1.00 0.00 C ATOM 1282 CG GLN A 85 -11.303 8.645 3.323 1.00 0.00 C ATOM 1283 CD GLN A 85 -12.033 8.195 4.590 1.00 0.00 C ATOM 1284 OE1 GLN A 85 -12.915 8.850 5.123 1.00 0.00 O ATOM 1285 NE2 GLN A 85 -11.716 7.060 5.149 1.00 0.00 N ATOM 0 H GLN A 85 -10.956 8.871 0.274 1.00 0.00 H new ATOM 0 HA GLN A 85 -11.601 11.543 1.285 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -11.707 10.734 3.602 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -12.909 9.894 2.641 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.420 7.889 2.547 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.236 8.729 3.528 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.985 6.477 4.741 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.199 6.755 5.994 1.00 0.00 H new ATOM 1294 N PRO A 86 -9.333 12.053 2.226 1.00 0.00 N ATOM 1295 CA PRO A 86 -7.963 12.425 2.598 1.00 0.00 C ATOM 1296 C PRO A 86 -7.476 11.763 3.896 1.00 0.00 C ATOM 1297 O PRO A 86 -6.276 11.794 4.162 1.00 0.00 O ATOM 1298 CB PRO A 86 -7.990 13.945 2.784 1.00 0.00 C ATOM 1299 CG PRO A 86 -9.418 14.222 3.244 1.00 0.00 C ATOM 1300 CD PRO A 86 -10.225 13.185 2.469 1.00 0.00 C ATOM 0 HA PRO A 86 -7.274 12.090 1.823 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.259 14.272 3.524 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.759 14.467 1.856 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.528 14.098 4.321 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.730 15.239 3.006 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -11.101 12.872 3.038 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.587 13.601 1.529 1.00 0.00 H new ATOM 1308 N ARG A 87 -8.392 11.193 4.701 1.00 0.00 N ATOM 1309 CA ARG A 87 -8.138 10.335 5.867 1.00 0.00 C ATOM 1310 C ARG A 87 -7.707 11.140 7.124 1.00 0.00 C ATOM 1311 O ARG A 87 -6.507 11.333 7.348 1.00 0.00 O ATOM 1312 CB ARG A 87 -7.141 9.228 5.447 1.00 0.00 C ATOM 1313 CG ARG A 87 -7.188 7.951 6.293 1.00 0.00 C ATOM 1314 CD ARG A 87 -8.523 7.213 6.126 1.00 0.00 C ATOM 1315 NE ARG A 87 -8.474 5.782 6.489 1.00 0.00 N ATOM 1316 CZ ARG A 87 -7.949 5.167 7.543 1.00 0.00 C ATOM 1317 NH1 ARG A 87 -7.378 5.807 8.539 1.00 0.00 N ATOM 1318 NH2 ARG A 87 -8.001 3.857 7.620 1.00 0.00 N ATOM 0 H ARG A 87 -9.390 11.330 4.542 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.065 9.856 6.183 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.334 8.963 4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.131 9.636 5.490 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.369 7.292 6.005 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.040 8.204 7.343 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.277 7.706 6.739 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.847 7.302 5.089 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.920 5.159 5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.323 6.825 8.526 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.990 5.285 9.325 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.442 3.319 6.874 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.600 3.377 8.426 1.00 0.00 H new ATOM 1332 N PRO A 88 -8.655 11.573 7.991 1.00 0.00 N ATOM 1333 CA PRO A 88 -8.349 12.207 9.276 1.00 0.00 C ATOM 1334 C PRO A 88 -7.917 11.126 10.272 1.00 0.00 C ATOM 1335 O PRO A 88 -8.707 10.637 11.073 1.00 0.00 O ATOM 1336 CB PRO A 88 -9.633 12.945 9.678 1.00 0.00 C ATOM 1337 CG PRO A 88 -10.731 12.054 9.103 1.00 0.00 C ATOM 1338 CD PRO A 88 -10.106 11.541 7.803 1.00 0.00 C ATOM 0 HA PRO A 88 -7.523 12.918 9.238 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -9.719 13.046 10.760 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.669 13.951 9.260 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.985 11.238 9.779 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -11.649 12.612 8.918 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.445 10.529 7.584 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -10.401 12.165 6.960 1.00 0.00 H new ATOM 1346 N VAL A 89 -6.647 10.721 10.193 1.00 0.00 N ATOM 1347 CA VAL A 89 -6.105 9.548 10.907 1.00 0.00 C ATOM 1348 C VAL A 89 -6.289 9.648 12.427 1.00 0.00 C ATOM 1349 O VAL A 89 -6.619 8.650 13.058 1.00 0.00 O ATOM 1350 CB VAL A 89 -4.632 9.310 10.484 1.00 0.00 C ATOM 1351 CG1 VAL A 89 -3.835 8.428 11.455 1.00 0.00 C ATOM 1352 CG2 VAL A 89 -4.619 8.679 9.079 1.00 0.00 C ATOM 0 H VAL A 89 -5.951 11.202 9.624 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.681 8.669 10.616 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.138 10.282 10.492 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.816 8.311 11.087 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.814 8.897 12.439 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.309 7.449 11.530 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.589 8.506 8.768 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.156 7.731 9.101 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.103 9.354 8.373 1.00 0.00 H new ATOM 1362 N GLU A 90 -6.174 10.846 13.011 1.00 0.00 N ATOM 1363 CA GLU A 90 -6.369 11.039 14.457 1.00 0.00 C ATOM 1364 C GLU A 90 -7.836 10.850 14.881 1.00 0.00 C ATOM 1365 O GLU A 90 -8.106 10.254 15.925 1.00 0.00 O ATOM 1366 CB GLU A 90 -5.810 12.402 14.904 1.00 0.00 C ATOM 1367 CG GLU A 90 -6.508 13.635 14.312 1.00 0.00 C ATOM 1368 CD GLU A 90 -5.799 14.924 14.757 1.00 0.00 C ATOM 1369 OE1 GLU A 90 -6.156 15.484 15.822 1.00 0.00 O ATOM 1370 OE2 GLU A 90 -4.881 15.391 14.040 1.00 0.00 O ATOM 0 H GLU A 90 -5.946 11.701 12.504 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.805 10.261 14.971 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.871 12.460 15.991 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.753 12.444 14.641 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.509 13.571 13.224 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.550 13.658 14.631 1.00 0.00 H new ATOM 1377 N VAL A 91 -8.791 11.271 14.046 1.00 0.00 N ATOM 1378 CA VAL A 91 -10.236 11.070 14.293 1.00 0.00 C ATOM 1379 C VAL A 91 -10.585 9.582 14.164 1.00 0.00 C ATOM 1380 O VAL A 91 -11.330 9.052 14.980 1.00 0.00 O ATOM 1381 CB VAL A 91 -11.096 11.918 13.321 1.00 0.00 C ATOM 1382 CG1 VAL A 91 -12.603 11.647 13.455 1.00 0.00 C ATOM 1383 CG2 VAL A 91 -10.840 13.419 13.528 1.00 0.00 C ATOM 0 H VAL A 91 -8.591 11.763 13.175 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.460 11.402 15.307 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.790 11.619 12.319 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -13.149 12.271 12.748 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.804 10.597 13.243 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.926 11.880 14.470 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -11.455 13.992 12.834 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.095 13.694 14.551 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.788 13.637 13.345 1.00 0.00 H new ATOM 1393 N ILE A 92 -9.999 8.892 13.179 1.00 0.00 N ATOM 1394 CA ILE A 92 -10.252 7.462 12.918 1.00 0.00 C ATOM 1395 C ILE A 92 -9.633 6.566 14.010 1.00 0.00 C ATOM 1396 O ILE A 92 -10.280 5.631 14.474 1.00 0.00 O ATOM 1397 CB ILE A 92 -9.811 7.156 11.462 1.00 0.00 C ATOM 1398 CG1 ILE A 92 -10.822 7.858 10.513 1.00 0.00 C ATOM 1399 CG2 ILE A 92 -9.708 5.641 11.201 1.00 0.00 C ATOM 1400 CD1 ILE A 92 -10.396 7.942 9.044 1.00 0.00 C ATOM 0 H ILE A 92 -9.330 9.310 12.533 1.00 0.00 H new ATOM 0 HA ILE A 92 -11.314 7.225 12.984 1.00 0.00 H new ATOM 0 HB ILE A 92 -8.808 7.542 11.279 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -11.773 7.329 10.568 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.998 8.869 10.881 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.397 5.470 10.171 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.975 5.204 11.879 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -10.680 5.176 11.369 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -11.171 8.449 8.469 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.463 8.500 8.967 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -10.251 6.936 8.649 1.00 0.00 H new ATOM 1412 N ILE A 93 -8.441 6.901 14.514 1.00 0.00 N ATOM 1413 CA ILE A 93 -7.842 6.255 15.705 1.00 0.00 C ATOM 1414 C ILE A 93 -8.673 6.542 16.965 1.00 0.00 C ATOM 1415 O ILE A 93 -8.861 5.653 17.792 1.00 0.00 O ATOM 1416 CB ILE A 93 -6.364 6.706 15.848 1.00 0.00 C ATOM 1417 CG1 ILE A 93 -5.514 6.040 14.736 1.00 0.00 C ATOM 1418 CG2 ILE A 93 -5.779 6.375 17.237 1.00 0.00 C ATOM 1419 CD1 ILE A 93 -4.091 6.602 14.611 1.00 0.00 C ATOM 0 H ILE A 93 -7.854 7.632 14.111 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.851 5.173 15.577 1.00 0.00 H new ATOM 0 HB ILE A 93 -6.335 7.791 15.743 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.454 4.969 14.932 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.026 6.161 13.781 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -4.743 6.711 17.285 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.361 6.882 18.007 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.819 5.298 17.402 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.564 6.082 13.811 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.139 7.667 14.382 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.558 6.456 15.551 1.00 0.00 H new ATOM 1431 N SER A 94 -9.205 7.756 17.111 1.00 0.00 N ATOM 1432 CA SER A 94 -10.073 8.111 18.246 1.00 0.00 C ATOM 1433 C SER A 94 -11.378 7.296 18.227 1.00 0.00 C ATOM 1434 O SER A 94 -11.763 6.716 19.240 1.00 0.00 O ATOM 1435 CB SER A 94 -10.378 9.620 18.262 1.00 0.00 C ATOM 1436 OG SER A 94 -9.192 10.399 18.351 1.00 0.00 O ATOM 0 H SER A 94 -9.051 8.520 16.453 1.00 0.00 H new ATOM 0 HA SER A 94 -9.533 7.863 19.160 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.923 9.890 17.357 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.028 9.850 19.106 1.00 0.00 H new ATOM 0 HG SER A 94 -8.859 10.593 17.450 1.00 0.00 H new ATOM 1442 N SER A 95 -12.015 7.168 17.059 1.00 0.00 N ATOM 1443 CA SER A 95 -13.169 6.294 16.839 1.00 0.00 C ATOM 1444 C SER A 95 -12.866 4.825 17.174 1.00 0.00 C ATOM 1445 O SER A 95 -13.659 4.188 17.867 1.00 0.00 O ATOM 1446 CB SER A 95 -13.630 6.403 15.378 1.00 0.00 C ATOM 1447 OG SER A 95 -14.206 7.676 15.115 1.00 0.00 O ATOM 0 H SER A 95 -11.736 7.681 16.223 1.00 0.00 H new ATOM 0 HA SER A 95 -13.960 6.626 17.512 1.00 0.00 H new ATOM 0 HB2 SER A 95 -12.782 6.240 14.713 1.00 0.00 H new ATOM 0 HB3 SER A 95 -14.358 5.620 15.164 1.00 0.00 H new ATOM 0 HG SER A 95 -13.494 8.341 15.006 1.00 0.00 H new ATOM 1453 N ALA A 96 -11.715 4.287 16.752 1.00 0.00 N ATOM 1454 CA ALA A 96 -11.303 2.919 17.080 1.00 0.00 C ATOM 1455 C ALA A 96 -11.173 2.691 18.596 1.00 0.00 C ATOM 1456 O ALA A 96 -11.684 1.697 19.112 1.00 0.00 O ATOM 1457 CB ALA A 96 -10.012 2.620 16.306 1.00 0.00 C ATOM 0 H ALA A 96 -11.043 4.790 16.173 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.074 2.213 16.772 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.680 1.606 16.530 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -10.200 2.712 15.236 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.238 3.329 16.601 1.00 0.00 H new ATOM 1463 N LYS A 97 -10.573 3.631 19.335 1.00 0.00 N ATOM 1464 CA LYS A 97 -10.538 3.573 20.803 1.00 0.00 C ATOM 1465 C LYS A 97 -11.947 3.688 21.423 1.00 0.00 C ATOM 1466 O LYS A 97 -12.312 2.874 22.274 1.00 0.00 O ATOM 1467 CB LYS A 97 -9.570 4.642 21.339 1.00 0.00 C ATOM 1468 CG LYS A 97 -8.107 4.311 20.982 1.00 0.00 C ATOM 1469 CD LYS A 97 -7.095 5.275 21.619 1.00 0.00 C ATOM 1470 CE LYS A 97 -7.285 6.725 21.145 1.00 0.00 C ATOM 1471 NZ LYS A 97 -6.254 7.635 21.722 1.00 0.00 N ATOM 0 H LYS A 97 -10.103 4.445 18.939 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.166 2.594 21.104 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.835 5.615 20.925 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.673 4.718 22.421 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.883 3.294 21.304 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.990 4.335 19.899 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.193 5.235 22.704 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.084 4.947 21.378 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.234 6.761 20.057 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.278 7.073 21.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.415 8.604 21.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.319 7.620 22.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.308 7.317 21.430 1.00 0.00 H new ATOM 1485 N GLU A 98 -12.789 4.615 20.954 1.00 0.00 N ATOM 1486 CA GLU A 98 -14.173 4.781 21.430 1.00 0.00 C ATOM 1487 C GLU A 98 -15.055 3.538 21.196 1.00 0.00 C ATOM 1488 O GLU A 98 -15.934 3.242 22.010 1.00 0.00 O ATOM 1489 CB GLU A 98 -14.821 6.011 20.777 1.00 0.00 C ATOM 1490 CG GLU A 98 -14.326 7.322 21.407 1.00 0.00 C ATOM 1491 CD GLU A 98 -15.026 8.541 20.786 1.00 0.00 C ATOM 1492 OE1 GLU A 98 -16.198 8.812 21.143 1.00 0.00 O ATOM 1493 OE2 GLU A 98 -14.407 9.251 19.957 1.00 0.00 O ATOM 0 H GLU A 98 -12.529 5.280 20.225 1.00 0.00 H new ATOM 0 HA GLU A 98 -14.108 4.922 22.509 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.599 6.015 19.710 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -15.904 5.947 20.877 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -14.509 7.303 22.481 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.248 7.410 21.269 1.00 0.00 H new ATOM 1500 N MET A 99 -14.787 2.770 20.135 1.00 0.00 N ATOM 1501 CA MET A 99 -15.509 1.529 19.799 1.00 0.00 C ATOM 1502 C MET A 99 -15.162 0.335 20.706 1.00 0.00 C ATOM 1503 O MET A 99 -15.855 -0.679 20.638 1.00 0.00 O ATOM 1504 CB MET A 99 -15.272 1.174 18.319 1.00 0.00 C ATOM 1505 CG MET A 99 -16.050 2.097 17.369 1.00 0.00 C ATOM 1506 SD MET A 99 -17.842 1.814 17.260 1.00 0.00 S ATOM 1507 CE MET A 99 -17.863 0.248 16.346 1.00 0.00 C ATOM 0 H MET A 99 -14.048 2.995 19.469 1.00 0.00 H new ATOM 0 HA MET A 99 -16.566 1.729 19.974 1.00 0.00 H new ATOM 0 HB2 MET A 99 -14.207 1.241 18.097 1.00 0.00 H new ATOM 0 HB3 MET A 99 -15.569 0.140 18.143 1.00 0.00 H new ATOM 0 HG2 MET A 99 -15.885 3.128 17.682 1.00 0.00 H new ATOM 0 HG3 MET A 99 -15.626 1.995 16.370 1.00 0.00 H new ATOM 0 HE1 MET A 99 -18.886 0.011 16.053 1.00 0.00 H new ATOM 0 HE2 MET A 99 -17.242 0.339 15.455 1.00 0.00 H new ATOM 0 HE3 MET A 99 -17.473 -0.549 16.980 1.00 0.00 H new ATOM 1517 N VAL A 100 -14.142 0.425 21.567 1.00 0.00 N ATOM 1518 CA VAL A 100 -13.785 -0.645 22.521 1.00 0.00 C ATOM 1519 C VAL A 100 -14.990 -1.013 23.394 1.00 0.00 C ATOM 1520 O VAL A 100 -15.619 -0.152 24.010 1.00 0.00 O ATOM 1521 CB VAL A 100 -12.569 -0.283 23.409 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -12.305 -1.315 24.524 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -11.299 -0.206 22.554 1.00 0.00 C ATOM 0 H VAL A 100 -13.535 1.243 21.626 1.00 0.00 H new ATOM 0 HA VAL A 100 -13.493 -1.508 21.923 1.00 0.00 H new ATOM 0 HB VAL A 100 -12.810 0.676 23.868 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -11.441 -1.004 25.111 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -13.179 -1.382 25.172 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -12.109 -2.290 24.078 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -10.449 0.049 23.187 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.121 -1.171 22.079 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.423 0.559 21.787 1.00 0.00 H new ATOM 1533 N GLY A 101 -15.291 -2.314 23.436 1.00 0.00 N ATOM 1534 CA GLY A 101 -16.383 -2.904 24.218 1.00 0.00 C ATOM 1535 C GLY A 101 -17.718 -3.002 23.472 1.00 0.00 C ATOM 1536 O GLY A 101 -18.684 -3.504 24.045 1.00 0.00 O ATOM 0 H GLY A 101 -14.764 -3.010 22.909 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -16.086 -3.903 24.538 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -16.528 -2.311 25.121 1.00 0.00 H new ATOM 1540 N GLN A 102 -17.795 -2.549 22.213 1.00 0.00 N ATOM 1541 CA GLN A 102 -18.991 -2.705 21.382 1.00 0.00 C ATOM 1542 C GLN A 102 -19.171 -4.172 20.973 1.00 0.00 C ATOM 1543 O GLN A 102 -18.232 -4.825 20.509 1.00 0.00 O ATOM 1544 CB GLN A 102 -18.914 -1.804 20.134 1.00 0.00 C ATOM 1545 CG GLN A 102 -19.068 -0.308 20.456 1.00 0.00 C ATOM 1546 CD GLN A 102 -20.487 0.052 20.903 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -20.780 0.196 22.084 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -21.431 0.169 19.992 1.00 0.00 N ATOM 0 H GLN A 102 -17.029 -2.065 21.745 1.00 0.00 H new ATOM 0 HA GLN A 102 -19.856 -2.398 21.970 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -17.958 -1.965 19.636 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -19.693 -2.100 19.432 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -18.363 -0.034 21.241 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -18.808 0.279 19.575 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -21.204 0.052 19.004 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -22.389 0.377 20.274 1.00 0.00 H new ATOM 1557 N LYS A 103 -20.399 -4.670 21.127 1.00 0.00 N ATOM 1558 CA LYS A 103 -20.842 -6.010 20.710 1.00 0.00 C ATOM 1559 C LYS A 103 -21.846 -5.925 19.544 1.00 0.00 C ATOM 1560 O LYS A 103 -22.724 -5.058 19.538 1.00 0.00 O ATOM 1561 CB LYS A 103 -21.467 -6.746 21.911 1.00 0.00 C ATOM 1562 CG LYS A 103 -20.434 -7.084 22.994 1.00 0.00 C ATOM 1563 CD LYS A 103 -21.119 -7.740 24.199 1.00 0.00 C ATOM 1564 CE LYS A 103 -20.078 -8.072 25.277 1.00 0.00 C ATOM 1565 NZ LYS A 103 -20.702 -8.667 26.490 1.00 0.00 N ATOM 0 H LYS A 103 -21.147 -4.131 21.564 1.00 0.00 H new ATOM 0 HA LYS A 103 -19.975 -6.570 20.359 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -22.253 -6.127 22.344 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -21.939 -7.665 21.564 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -19.678 -7.755 22.587 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -19.918 -6.177 23.310 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -21.876 -7.070 24.607 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -21.633 -8.649 23.886 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -19.343 -8.766 24.870 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -19.541 -7.165 25.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -19.964 -8.876 27.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -21.385 -7.995 26.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -21.193 -9.546 26.232 1.00 0.00 H new ATOM 1579 N MET A 104 -21.720 -6.814 18.551 1.00 0.00 N ATOM 1580 CA MET A 104 -22.476 -6.777 17.281 1.00 0.00 C ATOM 1581 C MET A 104 -22.839 -8.187 16.781 1.00 0.00 C ATOM 1582 O MET A 104 -22.146 -9.159 17.077 1.00 0.00 O ATOM 1583 CB MET A 104 -21.660 -6.004 16.219 1.00 0.00 C ATOM 1584 CG MET A 104 -21.507 -4.515 16.574 1.00 0.00 C ATOM 1585 SD MET A 104 -20.619 -3.487 15.374 1.00 0.00 S ATOM 1586 CE MET A 104 -18.963 -4.176 15.575 1.00 0.00 C ATOM 0 H MET A 104 -21.074 -7.602 18.604 1.00 0.00 H new ATOM 0 HA MET A 104 -23.418 -6.259 17.460 1.00 0.00 H new ATOM 0 HB2 MET A 104 -20.673 -6.456 16.122 1.00 0.00 H new ATOM 0 HB3 MET A 104 -22.149 -6.096 15.249 1.00 0.00 H new ATOM 0 HG2 MET A 104 -22.502 -4.093 16.715 1.00 0.00 H new ATOM 0 HG3 MET A 104 -20.992 -4.443 17.532 1.00 0.00 H new ATOM 0 HE1 MET A 104 -18.228 -3.480 15.170 1.00 0.00 H new ATOM 0 HE2 MET A 104 -18.763 -4.340 16.634 1.00 0.00 H new ATOM 0 HE3 MET A 104 -18.897 -5.125 15.042 1.00 0.00 H new ATOM 1596 N LYS A 105 -23.932 -8.302 16.013 1.00 0.00 N ATOM 1597 CA LYS A 105 -24.492 -9.602 15.573 1.00 0.00 C ATOM 1598 C LYS A 105 -25.221 -9.576 14.204 1.00 0.00 C ATOM 1599 O LYS A 105 -25.582 -10.624 13.674 1.00 0.00 O ATOM 1600 CB LYS A 105 -25.410 -10.095 16.717 1.00 0.00 C ATOM 1601 CG LYS A 105 -25.846 -11.572 16.676 1.00 0.00 C ATOM 1602 CD LYS A 105 -24.658 -12.544 16.573 1.00 0.00 C ATOM 1603 CE LYS A 105 -25.007 -13.981 16.995 1.00 0.00 C ATOM 1604 NZ LYS A 105 -25.982 -14.635 16.076 1.00 0.00 N ATOM 0 H LYS A 105 -24.459 -7.497 15.675 1.00 0.00 H new ATOM 0 HA LYS A 105 -23.669 -10.293 15.389 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -24.897 -9.919 17.663 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -26.308 -9.477 16.721 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -26.420 -11.801 17.574 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -26.510 -11.726 15.825 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -24.293 -12.553 15.546 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -23.843 -12.178 17.197 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -24.094 -14.576 17.031 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -25.419 -13.968 18.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -26.180 -15.600 16.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -26.865 -14.087 16.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -25.582 -14.675 15.117 1.00 0.00 H new ATOM 1618 N TYR A 106 -25.431 -8.392 13.615 1.00 0.00 N ATOM 1619 CA TYR A 106 -26.124 -8.198 12.327 1.00 0.00 C ATOM 1620 C TYR A 106 -25.401 -8.836 11.118 1.00 0.00 C ATOM 1621 O TYR A 106 -24.174 -8.936 11.103 1.00 0.00 O ATOM 1622 CB TYR A 106 -26.329 -6.686 12.096 1.00 0.00 C ATOM 1623 CG TYR A 106 -25.049 -5.864 12.067 1.00 0.00 C ATOM 1624 CD1 TYR A 106 -24.267 -5.803 10.897 1.00 0.00 C ATOM 1625 CD2 TYR A 106 -24.620 -5.178 13.218 1.00 0.00 C ATOM 1626 CE1 TYR A 106 -23.040 -5.114 10.890 1.00 0.00 C ATOM 1627 CE2 TYR A 106 -23.403 -4.470 13.215 1.00 0.00 C ATOM 1628 CZ TYR A 106 -22.595 -4.454 12.057 1.00 0.00 C ATOM 1629 OH TYR A 106 -21.405 -3.795 12.051 1.00 0.00 O ATOM 0 H TYR A 106 -25.116 -7.515 14.030 1.00 0.00 H new ATOM 0 HA TYR A 106 -27.080 -8.716 12.397 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -26.856 -6.545 11.152 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -26.976 -6.297 12.883 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -24.612 -6.290 9.997 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -25.228 -5.195 14.110 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -22.439 -5.090 9.993 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.087 -3.938 14.100 1.00 0.00 H new ATOM 0 HH TYR A 106 -21.101 -3.661 12.973 1.00 0.00 H new ATOM 1639 N SER A 107 -26.161 -9.183 10.073 1.00 0.00 N ATOM 1640 CA SER A 107 -25.657 -9.605 8.751 1.00 0.00 C ATOM 1641 C SER A 107 -24.820 -10.910 8.770 1.00 0.00 C ATOM 1642 O SER A 107 -24.852 -11.690 9.726 1.00 0.00 O ATOM 1643 CB SER A 107 -24.904 -8.423 8.096 1.00 0.00 C ATOM 1644 OG SER A 107 -24.807 -8.598 6.688 1.00 0.00 O ATOM 0 H SER A 107 -27.180 -9.179 10.121 1.00 0.00 H new ATOM 0 HA SER A 107 -26.521 -9.868 8.140 1.00 0.00 H new ATOM 0 HB2 SER A 107 -25.423 -7.490 8.315 1.00 0.00 H new ATOM 0 HB3 SER A 107 -23.906 -8.340 8.525 1.00 0.00 H new ATOM 0 HG SER A 107 -24.329 -7.838 6.296 1.00 0.00 H new ATOM 1650 N ILE A 108 -24.080 -11.168 7.684 1.00 0.00 N ATOM 1651 CA ILE A 108 -23.063 -12.228 7.582 1.00 0.00 C ATOM 1652 C ILE A 108 -21.768 -11.726 8.246 1.00 0.00 C ATOM 1653 O ILE A 108 -21.457 -10.542 8.142 1.00 0.00 O ATOM 1654 CB ILE A 108 -22.842 -12.614 6.093 1.00 0.00 C ATOM 1655 CG1 ILE A 108 -24.155 -12.913 5.328 1.00 0.00 C ATOM 1656 CG2 ILE A 108 -21.887 -13.816 5.965 1.00 0.00 C ATOM 1657 CD1 ILE A 108 -25.039 -14.024 5.917 1.00 0.00 C ATOM 0 H ILE A 108 -24.174 -10.629 6.823 1.00 0.00 H new ATOM 0 HA ILE A 108 -23.394 -13.129 8.099 1.00 0.00 H new ATOM 0 HB ILE A 108 -22.393 -11.735 5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -24.742 -11.996 5.281 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -23.902 -13.183 4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -21.752 -14.063 4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -20.922 -13.563 6.405 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -22.310 -14.674 6.487 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -25.929 -14.146 5.300 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -24.481 -14.960 5.938 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -25.334 -13.755 6.931 1.00 0.00 H new ATOM 1669 N VAL A 109 -20.992 -12.597 8.903 1.00 0.00 N ATOM 1670 CA VAL A 109 -19.829 -12.187 9.737 1.00 0.00 C ATOM 1671 C VAL A 109 -18.766 -11.415 8.933 1.00 0.00 C ATOM 1672 O VAL A 109 -18.131 -10.503 9.460 1.00 0.00 O ATOM 1673 CB VAL A 109 -19.196 -13.396 10.475 1.00 0.00 C ATOM 1674 CG1 VAL A 109 -18.019 -12.988 11.380 1.00 0.00 C ATOM 1675 CG2 VAL A 109 -20.231 -14.113 11.359 1.00 0.00 C ATOM 0 H VAL A 109 -21.143 -13.606 8.879 1.00 0.00 H new ATOM 0 HA VAL A 109 -20.222 -11.502 10.488 1.00 0.00 H new ATOM 0 HB VAL A 109 -18.834 -14.058 9.689 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -17.614 -13.873 11.872 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.241 -12.520 10.776 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -18.367 -12.282 12.134 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -19.758 -14.956 11.863 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -20.619 -13.417 12.102 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -21.051 -14.475 10.739 1.00 0.00 H new ATOM 1685 N SER A 110 -18.607 -11.716 7.641 1.00 0.00 N ATOM 1686 CA SER A 110 -17.754 -10.960 6.712 1.00 0.00 C ATOM 1687 C SER A 110 -18.206 -9.494 6.591 1.00 0.00 C ATOM 1688 O SER A 110 -17.424 -8.581 6.878 1.00 0.00 O ATOM 1689 CB SER A 110 -17.747 -11.657 5.341 1.00 0.00 C ATOM 1690 OG SER A 110 -19.069 -11.907 4.875 1.00 0.00 O ATOM 0 H SER A 110 -19.076 -12.507 7.200 1.00 0.00 H new ATOM 0 HA SER A 110 -16.738 -10.943 7.107 1.00 0.00 H new ATOM 0 HB2 SER A 110 -17.217 -11.036 4.619 1.00 0.00 H new ATOM 0 HB3 SER A 110 -17.202 -12.598 5.413 1.00 0.00 H new ATOM 0 HG SER A 110 -19.030 -12.349 4.001 1.00 0.00 H new ATOM 1696 N ARG A 111 -19.487 -9.247 6.277 1.00 0.00 N ATOM 1697 CA ARG A 111 -20.042 -7.887 6.267 1.00 0.00 C ATOM 1698 C ARG A 111 -20.072 -7.280 7.668 1.00 0.00 C ATOM 1699 O ARG A 111 -19.827 -6.087 7.789 1.00 0.00 O ATOM 1700 CB ARG A 111 -21.426 -7.831 5.601 1.00 0.00 C ATOM 1701 CG ARG A 111 -21.981 -6.391 5.469 1.00 0.00 C ATOM 1702 CD ARG A 111 -21.200 -5.487 4.506 1.00 0.00 C ATOM 1703 NE ARG A 111 -21.806 -4.142 4.465 1.00 0.00 N ATOM 1704 CZ ARG A 111 -21.310 -3.061 3.873 1.00 0.00 C ATOM 1705 NH1 ARG A 111 -20.178 -3.084 3.204 1.00 0.00 N ATOM 1706 NH2 ARG A 111 -21.964 -1.922 3.950 1.00 0.00 N ATOM 0 H ARG A 111 -20.158 -9.973 6.026 1.00 0.00 H new ATOM 0 HA ARG A 111 -19.371 -7.279 5.660 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -21.364 -8.282 4.611 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -22.126 -8.432 6.182 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -23.017 -6.445 5.135 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -21.988 -5.927 6.455 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -20.160 -5.416 4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -21.198 -5.923 3.507 1.00 0.00 H new ATOM 0 HE ARG A 111 -22.701 -4.030 4.942 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -19.649 -3.953 3.126 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -19.829 -2.233 2.763 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -22.845 -1.873 4.461 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -21.590 -1.088 3.498 1.00 0.00 H new ATOM 1720 N ASN A 112 -20.280 -8.056 8.731 1.00 0.00 N ATOM 1721 CA ASN A 112 -20.218 -7.544 10.106 1.00 0.00 C ATOM 1722 C ASN A 112 -18.854 -6.875 10.389 1.00 0.00 C ATOM 1723 O ASN A 112 -18.805 -5.764 10.910 1.00 0.00 O ATOM 1724 CB ASN A 112 -20.531 -8.672 11.102 1.00 0.00 C ATOM 1725 CG ASN A 112 -20.852 -8.113 12.485 1.00 0.00 C ATOM 1726 OD1 ASN A 112 -19.973 -7.815 13.278 1.00 0.00 O ATOM 1727 ND2 ASN A 112 -22.118 -7.938 12.806 1.00 0.00 N ATOM 0 H ASN A 112 -20.495 -9.051 8.668 1.00 0.00 H new ATOM 0 HA ASN A 112 -20.976 -6.771 10.231 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -21.375 -9.258 10.739 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -19.679 -9.349 11.169 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -22.364 -7.553 13.718 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -22.852 -8.187 12.143 1.00 0.00 H new ATOM 1734 N CYS A 113 -17.758 -7.500 9.928 1.00 0.00 N ATOM 1735 CA CYS A 113 -16.386 -6.982 10.019 1.00 0.00 C ATOM 1736 C CYS A 113 -16.108 -5.829 9.024 1.00 0.00 C ATOM 1737 O CYS A 113 -15.566 -4.793 9.410 1.00 0.00 O ATOM 1738 CB CYS A 113 -15.437 -8.193 9.859 1.00 0.00 C ATOM 1739 SG CYS A 113 -13.890 -7.916 10.771 1.00 0.00 S ATOM 0 H CYS A 113 -17.806 -8.409 9.467 1.00 0.00 H new ATOM 0 HA CYS A 113 -16.217 -6.513 10.989 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -15.925 -9.096 10.226 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -15.219 -8.355 8.803 1.00 0.00 H new ATOM 0 HG CYS A 113 -13.743 -8.845 11.669 1.00 0.00 H new ATOM 1745 N GLU A 114 -16.538 -5.948 7.764 1.00 0.00 N ATOM 1746 CA GLU A 114 -16.403 -4.882 6.752 1.00 0.00 C ATOM 1747 C GLU A 114 -17.176 -3.605 7.138 1.00 0.00 C ATOM 1748 O GLU A 114 -16.662 -2.488 7.050 1.00 0.00 O ATOM 1749 CB GLU A 114 -16.876 -5.434 5.400 1.00 0.00 C ATOM 1750 CG GLU A 114 -16.633 -4.479 4.228 1.00 0.00 C ATOM 1751 CD GLU A 114 -17.137 -5.106 2.922 1.00 0.00 C ATOM 1752 OE1 GLU A 114 -18.373 -5.139 2.715 1.00 0.00 O ATOM 1753 OE2 GLU A 114 -16.306 -5.563 2.104 1.00 0.00 O ATOM 0 H GLU A 114 -16.993 -6.790 7.410 1.00 0.00 H new ATOM 0 HA GLU A 114 -15.356 -4.587 6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -16.364 -6.376 5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -17.941 -5.657 5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -17.145 -3.534 4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -15.569 -4.255 4.146 1.00 0.00 H new ATOM 1760 N HIS A 115 -18.408 -3.751 7.629 1.00 0.00 N ATOM 1761 CA HIS A 115 -19.221 -2.638 8.117 1.00 0.00 C ATOM 1762 C HIS A 115 -18.545 -1.988 9.346 1.00 0.00 C ATOM 1763 O HIS A 115 -18.400 -0.768 9.402 1.00 0.00 O ATOM 1764 CB HIS A 115 -20.644 -3.148 8.405 1.00 0.00 C ATOM 1765 CG HIS A 115 -21.678 -2.062 8.600 1.00 0.00 C ATOM 1766 ND1 HIS A 115 -22.745 -2.099 9.471 1.00 0.00 N ATOM 1767 CD2 HIS A 115 -21.786 -0.893 7.890 1.00 0.00 C ATOM 1768 CE1 HIS A 115 -23.471 -0.981 9.299 1.00 0.00 C ATOM 1769 NE2 HIS A 115 -22.909 -0.201 8.359 1.00 0.00 N ATOM 0 H HIS A 115 -18.874 -4.656 7.699 1.00 0.00 H new ATOM 0 HA HIS A 115 -19.301 -1.856 7.362 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -20.960 -3.787 7.581 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -20.618 -3.771 9.299 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -22.949 -2.847 10.133 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -21.120 -0.564 7.106 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -24.376 -0.743 9.838 1.00 0.00 H new ATOM 1777 N PHE A 116 -18.018 -2.804 10.273 1.00 0.00 N ATOM 1778 CA PHE A 116 -17.185 -2.380 11.405 1.00 0.00 C ATOM 1779 C PHE A 116 -15.982 -1.531 10.967 1.00 0.00 C ATOM 1780 O PHE A 116 -15.855 -0.410 11.453 1.00 0.00 O ATOM 1781 CB PHE A 116 -16.773 -3.618 12.224 1.00 0.00 C ATOM 1782 CG PHE A 116 -15.441 -3.519 12.958 1.00 0.00 C ATOM 1783 CD1 PHE A 116 -15.344 -2.772 14.146 1.00 0.00 C ATOM 1784 CD2 PHE A 116 -14.286 -4.141 12.432 1.00 0.00 C ATOM 1785 CE1 PHE A 116 -14.110 -2.658 14.812 1.00 0.00 C ATOM 1786 CE2 PHE A 116 -13.054 -4.023 13.098 1.00 0.00 C ATOM 1787 CZ PHE A 116 -12.965 -3.289 14.293 1.00 0.00 C ATOM 0 H PHE A 116 -18.167 -3.813 10.252 1.00 0.00 H new ATOM 0 HA PHE A 116 -17.774 -1.722 12.044 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -17.555 -3.822 12.956 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -16.733 -4.476 11.553 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -16.220 -2.284 14.548 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -14.350 -4.709 11.515 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -14.042 -2.084 15.724 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -12.174 -4.498 12.690 1.00 0.00 H new ATOM 0 HZ PHE A 116 -12.021 -3.210 14.811 1.00 0.00 H new ATOM 1797 N VAL A 117 -15.134 -1.986 10.030 1.00 0.00 N ATOM 1798 CA VAL A 117 -14.012 -1.125 9.584 1.00 0.00 C ATOM 1799 C VAL A 117 -14.481 0.129 8.845 1.00 0.00 C ATOM 1800 O VAL A 117 -13.786 1.140 8.920 1.00 0.00 O ATOM 1801 CB VAL A 117 -12.903 -1.808 8.764 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -12.038 -2.672 9.677 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -13.398 -2.599 7.549 1.00 0.00 C ATOM 0 H VAL A 117 -15.191 -2.900 9.581 1.00 0.00 H new ATOM 0 HA VAL A 117 -13.556 -0.853 10.536 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.303 -1.004 8.338 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.255 -3.152 9.089 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.583 -2.047 10.445 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.657 -3.435 10.149 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.547 -3.044 7.033 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -14.075 -3.387 7.879 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -13.924 -1.929 6.869 1.00 0.00 H new ATOM 1813 N THR A 118 -15.665 0.112 8.212 1.00 0.00 N ATOM 1814 CA THR A 118 -16.277 1.332 7.653 1.00 0.00 C ATOM 1815 C THR A 118 -16.645 2.287 8.780 1.00 0.00 C ATOM 1816 O THR A 118 -16.251 3.440 8.689 1.00 0.00 O ATOM 1817 CB THR A 118 -17.481 1.058 6.748 1.00 0.00 C ATOM 1818 OG1 THR A 118 -17.194 -0.018 5.875 1.00 0.00 O ATOM 1819 CG2 THR A 118 -17.794 2.268 5.864 1.00 0.00 C ATOM 0 H THR A 118 -16.219 -0.733 8.074 1.00 0.00 H new ATOM 0 HA THR A 118 -15.529 1.794 7.009 1.00 0.00 H new ATOM 0 HB THR A 118 -18.327 0.833 7.398 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.149 -0.852 6.388 1.00 0.00 H new ATOM 0 HG21 THR A 118 -18.654 2.044 5.232 1.00 0.00 H new ATOM 0 HG22 THR A 118 -18.020 3.129 6.493 1.00 0.00 H new ATOM 0 HG23 THR A 118 -16.931 2.493 5.237 1.00 0.00 H new ATOM 1827 N GLN A 119 -17.277 1.823 9.864 1.00 0.00 N ATOM 1828 CA GLN A 119 -17.512 2.614 11.076 1.00 0.00 C ATOM 1829 C GLN A 119 -16.224 3.197 11.687 1.00 0.00 C ATOM 1830 O GLN A 119 -16.275 4.299 12.234 1.00 0.00 O ATOM 1831 CB GLN A 119 -18.254 1.753 12.117 1.00 0.00 C ATOM 1832 CG GLN A 119 -19.771 1.959 12.087 1.00 0.00 C ATOM 1833 CD GLN A 119 -20.445 1.525 10.787 1.00 0.00 C ATOM 1834 OE1 GLN A 119 -20.946 0.312 10.715 1.00 0.00 O flip ATOM 1835 NE2 GLN A 119 -20.555 2.278 9.828 1.00 0.00 N flip ATOM 0 H GLN A 119 -17.645 0.873 9.924 1.00 0.00 H new ATOM 0 HA GLN A 119 -18.123 3.468 10.785 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -18.031 0.701 11.937 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -17.879 1.992 13.112 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -20.216 1.406 12.914 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -19.985 3.014 12.257 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -20.170 3.221 9.873 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -21.032 1.962 8.984 1.00 0.00 H new ATOM 1844 N LEU A 120 -15.074 2.512 11.576 1.00 0.00 N ATOM 1845 CA LEU A 120 -13.788 3.075 12.003 1.00 0.00 C ATOM 1846 C LEU A 120 -13.334 4.205 11.067 1.00 0.00 C ATOM 1847 O LEU A 120 -13.160 5.333 11.526 1.00 0.00 O ATOM 1848 CB LEU A 120 -12.709 1.979 12.154 1.00 0.00 C ATOM 1849 CG LEU A 120 -13.024 0.847 13.157 1.00 0.00 C ATOM 1850 CD1 LEU A 120 -11.735 0.072 13.451 1.00 0.00 C ATOM 1851 CD2 LEU A 120 -13.631 1.364 14.467 1.00 0.00 C ATOM 0 H LEU A 120 -15.011 1.568 11.194 1.00 0.00 H new ATOM 0 HA LEU A 120 -13.932 3.514 12.990 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -12.536 1.531 11.175 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -11.776 2.455 12.456 1.00 0.00 H new ATOM 0 HG LEU A 120 -13.771 0.198 12.700 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -11.946 -0.730 14.158 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -11.347 -0.353 12.525 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -10.994 0.747 13.879 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -13.831 0.524 15.132 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -12.931 2.048 14.947 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -14.563 1.888 14.254 1.00 0.00 H new ATOM 1863 N ARG A 121 -13.176 3.929 9.762 1.00 0.00 N ATOM 1864 CA ARG A 121 -12.721 4.915 8.760 1.00 0.00 C ATOM 1865 C ARG A 121 -13.783 5.949 8.347 1.00 0.00 C ATOM 1866 O ARG A 121 -13.510 6.771 7.476 1.00 0.00 O ATOM 1867 CB ARG A 121 -12.097 4.214 7.533 1.00 0.00 C ATOM 1868 CG ARG A 121 -13.132 3.566 6.593 1.00 0.00 C ATOM 1869 CD ARG A 121 -12.489 2.926 5.359 1.00 0.00 C ATOM 1870 NE ARG A 121 -13.313 1.818 4.833 1.00 0.00 N ATOM 1871 CZ ARG A 121 -12.865 0.727 4.224 1.00 0.00 C ATOM 1872 NH1 ARG A 121 -11.616 0.617 3.821 1.00 0.00 N ATOM 1873 NH2 ARG A 121 -13.686 -0.279 4.003 1.00 0.00 N ATOM 0 H ARG A 121 -13.361 3.007 9.366 1.00 0.00 H new ATOM 0 HA ARG A 121 -11.948 5.499 9.260 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -11.513 4.941 6.969 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -11.403 3.447 7.878 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -13.690 2.807 7.142 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -13.850 4.321 6.273 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -12.355 3.681 4.584 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -11.497 2.553 5.616 1.00 0.00 H new ATOM 0 HE ARG A 121 -14.323 1.899 4.949 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -10.961 1.384 3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -11.303 -0.235 3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -14.660 -0.217 4.299 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -13.348 -1.120 3.535 1.00 0.00 H new ATOM 1887 N TYR A 122 -14.965 5.927 8.966 1.00 0.00 N ATOM 1888 CA TYR A 122 -16.171 6.676 8.589 1.00 0.00 C ATOM 1889 C TYR A 122 -15.953 8.204 8.544 1.00 0.00 C ATOM 1890 O TYR A 122 -16.673 8.925 7.854 1.00 0.00 O ATOM 1891 CB TYR A 122 -17.255 6.388 9.645 1.00 0.00 C ATOM 1892 CG TYR A 122 -18.650 6.832 9.246 1.00 0.00 C ATOM 1893 CD1 TYR A 122 -19.397 6.054 8.338 1.00 0.00 C ATOM 1894 CD2 TYR A 122 -19.211 8.005 9.789 1.00 0.00 C ATOM 1895 CE1 TYR A 122 -20.694 6.450 7.962 1.00 0.00 C ATOM 1896 CE2 TYR A 122 -20.510 8.405 9.419 1.00 0.00 C ATOM 1897 CZ TYR A 122 -21.257 7.629 8.503 1.00 0.00 C ATOM 1898 OH TYR A 122 -22.513 8.017 8.148 1.00 0.00 O ATOM 0 H TYR A 122 -15.118 5.352 9.794 1.00 0.00 H new ATOM 0 HA TYR A 122 -16.455 6.355 7.587 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -17.272 5.317 9.849 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -16.980 6.885 10.575 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -18.972 5.149 7.929 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -18.644 8.599 10.490 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -21.259 5.854 7.261 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -20.936 9.306 9.836 1.00 0.00 H new ATOM 0 HH TYR A 122 -22.743 8.848 8.614 1.00 0.00 H new ATOM 1908 N GLY A 123 -14.944 8.675 9.298 1.00 0.00 N ATOM 1909 CA GLY A 123 -14.626 10.075 9.634 1.00 0.00 C ATOM 1910 C GLY A 123 -14.712 11.116 8.514 1.00 0.00 C ATOM 1911 O GLY A 123 -15.069 12.263 8.790 1.00 0.00 O ATOM 0 H GLY A 123 -14.275 8.034 9.723 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -15.297 10.388 10.434 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -13.614 10.101 10.038 1.00 0.00 H new ATOM 1915 N LYS A 124 -14.415 10.741 7.264 1.00 0.00 N ATOM 1916 CA LYS A 124 -14.530 11.629 6.093 1.00 0.00 C ATOM 1917 C LYS A 124 -15.094 10.906 4.841 1.00 0.00 C ATOM 1918 O LYS A 124 -14.968 11.399 3.716 1.00 0.00 O ATOM 1919 CB LYS A 124 -13.149 12.296 5.905 1.00 0.00 C ATOM 1920 CG LYS A 124 -13.087 13.554 5.017 1.00 0.00 C ATOM 1921 CD LYS A 124 -13.976 14.700 5.538 1.00 0.00 C ATOM 1922 CE LYS A 124 -13.743 16.017 4.775 1.00 0.00 C ATOM 1923 NZ LYS A 124 -14.313 15.993 3.401 1.00 0.00 N ATOM 0 H LYS A 124 -14.085 9.804 7.031 1.00 0.00 H new ATOM 0 HA LYS A 124 -15.274 12.408 6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -12.765 12.559 6.890 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -12.470 11.553 5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -12.055 13.900 4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -13.395 13.293 4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -15.024 14.412 5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -13.777 14.857 6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -14.188 16.840 5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -12.673 16.214 4.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -14.128 16.903 2.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -13.871 15.226 2.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -15.339 15.833 3.454 1.00 0.00 H new ATOM 1937 N SER A 125 -15.715 9.733 5.036 1.00 0.00 N ATOM 1938 CA SER A 125 -16.270 8.855 3.983 1.00 0.00 C ATOM 1939 C SER A 125 -17.636 9.336 3.470 1.00 0.00 C ATOM 1940 O SER A 125 -18.540 9.601 4.297 1.00 0.00 O ATOM 1941 CB SER A 125 -16.381 7.427 4.503 1.00 0.00 C ATOM 1942 OG SER A 125 -15.076 6.966 4.792 1.00 0.00 O ATOM 1943 OXT SER A 125 -17.798 9.449 2.233 1.00 0.00 O ATOM 0 H SER A 125 -15.852 9.350 5.971 1.00 0.00 H new ATOM 0 HA SER A 125 -15.581 8.891 3.139 1.00 0.00 H new ATOM 0 HB2 SER A 125 -17.004 7.394 5.397 1.00 0.00 H new ATOM 0 HB3 SER A 125 -16.856 6.786 3.760 1.00 0.00 H new ATOM 0 HG SER A 125 -14.486 7.732 4.949 1.00 0.00 H new