USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 786 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 50 HIS : no HD1:sc= -1.49 K(o=-1.9,f=-6.6!) USER MOD Set 1.2: A 51 ASN :FLIP amide:sc= -0.425 F(o=-2.9,f=-1.9) USER MOD Set 2.1: A 25 TYR OH : rot 94:sc= 0.0495 USER MOD Set 2.2: A 36 HIS :FLIP no HE2:sc= -19.5! C(o=-21!,f=-19!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -53:sc= 0.481 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.017) USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00759) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 137:sc= 0.0717 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 25:sc= 0.489 USER MOD Single : A 63 THR OG1 : rot 161:sc= -2.5 USER MOD Single : A 74 HIS : no HD1:sc= -19.7! C(o=-20!,f=-22!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.109 K(o=0.11,f=-1.9!) USER MOD Single : A 86 LYS NZ :NH3+ 163:sc= 0.0377 (180deg=0.00284) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 94 ASN : amide:sc= -0.0152 X(o=-0.015,f=-0.01) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 99 HIS : no HD1:sc= -17.7! C(o=-18!,f=-19!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -179:sc= 0.129 (180deg=0.129) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 5 -29.640 10.502 13.018 1.00 0.00 N ATOM 54 CA LEU A 5 -28.695 9.586 13.634 1.00 0.00 C ATOM 55 C LEU A 5 -28.553 9.928 15.118 1.00 0.00 C ATOM 56 O LEU A 5 -27.601 9.499 15.769 1.00 0.00 O ATOM 57 CB LEU A 5 -27.368 9.593 12.871 1.00 0.00 C ATOM 58 CG LEU A 5 -27.456 9.899 11.375 1.00 0.00 C ATOM 59 CD1 LEU A 5 -26.612 11.123 11.015 1.00 0.00 C ATOM 60 CD2 LEU A 5 -27.075 8.674 10.541 1.00 0.00 C ATOM 0 HA LEU A 5 -29.064 8.562 13.577 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -26.710 10.328 13.334 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -26.895 8.619 12.995 1.00 0.00 H new ATOM 0 HG LEU A 5 -28.492 10.141 11.136 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -26.692 11.319 9.946 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -26.972 11.989 11.570 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -25.570 10.935 11.272 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -27.146 8.919 9.481 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -26.053 8.377 10.777 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -27.754 7.853 10.770 1.00 0.00 H new ATOM 72 N VAL A 6 -29.513 10.698 15.610 1.00 0.00 N ATOM 73 CA VAL A 6 -29.507 11.102 17.006 1.00 0.00 C ATOM 74 C VAL A 6 -30.048 9.959 17.866 1.00 0.00 C ATOM 75 O VAL A 6 -29.690 9.834 19.036 1.00 0.00 O ATOM 76 CB VAL A 6 -30.293 12.403 17.177 1.00 0.00 C ATOM 77 CG1 VAL A 6 -30.519 12.717 18.657 1.00 0.00 C ATOM 78 CG2 VAL A 6 -29.591 13.565 16.471 1.00 0.00 C ATOM 0 H VAL A 6 -30.300 11.053 15.067 1.00 0.00 H new ATOM 0 HA VAL A 6 -28.490 11.306 17.340 1.00 0.00 H new ATOM 0 HB VAL A 6 -31.269 12.268 16.711 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -31.080 13.647 18.750 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -31.082 11.906 19.119 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -29.557 12.822 19.158 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -30.171 14.478 16.608 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -28.596 13.700 16.894 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -29.506 13.346 15.407 1.00 0.00 H new ATOM 88 N LYS A 7 -30.903 9.153 17.253 1.00 0.00 N ATOM 89 CA LYS A 7 -31.497 8.024 17.948 1.00 0.00 C ATOM 90 C LYS A 7 -30.523 6.844 17.922 1.00 0.00 C ATOM 91 O LYS A 7 -30.914 5.706 18.174 1.00 0.00 O ATOM 92 CB LYS A 7 -32.873 7.698 17.363 1.00 0.00 C ATOM 93 CG LYS A 7 -33.979 7.953 18.388 1.00 0.00 C ATOM 94 CD LYS A 7 -33.969 9.410 18.856 1.00 0.00 C ATOM 95 CE LYS A 7 -33.443 9.522 20.288 1.00 0.00 C ATOM 96 NZ LYS A 7 -34.119 10.627 21.004 1.00 0.00 N ATOM 0 H LYS A 7 -31.198 9.260 16.283 1.00 0.00 H new ATOM 0 HA LYS A 7 -31.671 8.271 18.995 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -33.048 8.306 16.475 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -32.900 6.655 17.046 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -34.948 7.715 17.949 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -33.846 7.292 19.244 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -33.347 10.006 18.188 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -34.978 9.820 18.802 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -33.608 8.583 20.817 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -32.367 9.695 20.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -33.750 10.689 21.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -33.940 11.523 20.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -35.143 10.446 21.034 1.00 0.00 H new ATOM 110 N GLY A 8 -29.273 7.157 17.615 1.00 0.00 N ATOM 111 CA GLY A 8 -28.240 6.137 17.554 1.00 0.00 C ATOM 112 C GLY A 8 -26.909 6.732 17.088 1.00 0.00 C ATOM 113 O GLY A 8 -26.392 6.358 16.037 1.00 0.00 O ATOM 0 H GLY A 8 -28.952 8.102 17.406 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -28.115 5.682 18.536 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -28.547 5.344 16.872 1.00 0.00 H new ATOM 117 N PRO A 9 -26.379 7.673 17.915 1.00 0.00 N ATOM 118 CA PRO A 9 -25.119 8.323 17.598 1.00 0.00 C ATOM 119 C PRO A 9 -23.938 7.384 17.854 1.00 0.00 C ATOM 120 O PRO A 9 -23.799 6.840 18.948 1.00 0.00 O ATOM 121 CB PRO A 9 -25.088 9.567 18.471 1.00 0.00 C ATOM 122 CG PRO A 9 -26.105 9.327 19.575 1.00 0.00 C ATOM 123 CD PRO A 9 -26.964 8.141 19.168 1.00 0.00 C ATOM 0 HA PRO A 9 -25.036 8.589 16.544 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -24.093 9.729 18.885 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -25.341 10.456 17.893 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -25.602 9.127 20.521 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -26.723 10.213 19.724 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -26.948 7.360 19.929 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -28.005 8.434 19.034 1.00 0.00 H new ATOM 131 N TRP A 10 -23.118 7.223 16.825 1.00 0.00 N ATOM 132 CA TRP A 10 -21.954 6.359 16.925 1.00 0.00 C ATOM 133 C TRP A 10 -20.917 7.062 17.802 1.00 0.00 C ATOM 134 O TRP A 10 -20.978 8.276 17.989 1.00 0.00 O ATOM 135 CB TRP A 10 -21.419 5.999 15.537 1.00 0.00 C ATOM 136 CG TRP A 10 -22.434 5.281 14.645 1.00 0.00 C ATOM 137 CD1 TRP A 10 -23.743 5.534 14.517 1.00 0.00 C ATOM 138 CD2 TRP A 10 -22.167 4.176 13.756 1.00 0.00 C ATOM 139 NE1 TRP A 10 -24.338 4.676 13.615 1.00 0.00 N ATOM 140 CE2 TRP A 10 -23.349 3.824 13.137 1.00 0.00 C ATOM 141 CE3 TRP A 10 -20.967 3.497 13.484 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -23.446 2.782 12.207 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -21.081 2.458 12.552 1.00 0.00 C ATOM 144 CH2 TRP A 10 -22.263 2.091 11.920 1.00 0.00 C ATOM 0 H TRP A 10 -23.237 7.676 15.919 1.00 0.00 H new ATOM 0 HA TRP A 10 -22.217 5.409 17.391 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -21.093 6.911 15.037 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -20.539 5.366 15.651 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -24.267 6.312 15.053 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -25.322 4.668 13.348 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -20.031 3.756 13.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -24.383 2.525 11.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -20.188 1.903 12.307 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -22.269 1.277 11.211 1.00 0.00 H new ATOM 155 N THR A 11 -19.988 6.269 18.316 1.00 0.00 N ATOM 156 CA THR A 11 -18.939 6.801 19.169 1.00 0.00 C ATOM 157 C THR A 11 -17.690 5.921 19.090 1.00 0.00 C ATOM 158 O THR A 11 -17.723 4.843 18.498 1.00 0.00 O ATOM 159 CB THR A 11 -19.502 6.931 20.586 1.00 0.00 C ATOM 160 OG1 THR A 11 -19.877 5.601 20.934 1.00 0.00 O ATOM 161 CG2 THR A 11 -20.818 7.711 20.624 1.00 0.00 C ATOM 0 H THR A 11 -19.940 5.262 18.158 1.00 0.00 H new ATOM 0 HA THR A 11 -18.623 7.790 18.837 1.00 0.00 H new ATOM 0 HB THR A 11 -18.769 7.425 21.224 1.00 0.00 H new ATOM 0 HG1 THR A 11 -20.462 5.233 20.239 1.00 0.00 H new ATOM 0 HG21 THR A 11 -21.174 7.774 21.652 1.00 0.00 H new ATOM 0 HG22 THR A 11 -20.657 8.716 20.234 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.562 7.200 20.013 1.00 0.00 H new ATOM 169 N LYS A 12 -16.619 6.413 19.695 1.00 0.00 N ATOM 170 CA LYS A 12 -15.362 5.685 19.700 1.00 0.00 C ATOM 171 C LYS A 12 -15.642 4.194 19.898 1.00 0.00 C ATOM 172 O LYS A 12 -14.913 3.348 19.383 1.00 0.00 O ATOM 173 CB LYS A 12 -14.406 6.274 20.739 1.00 0.00 C ATOM 174 CG LYS A 12 -13.029 5.612 20.655 1.00 0.00 C ATOM 175 CD LYS A 12 -12.104 6.389 19.716 1.00 0.00 C ATOM 176 CE LYS A 12 -11.077 5.459 19.066 1.00 0.00 C ATOM 177 NZ LYS A 12 -9.715 5.767 19.557 1.00 0.00 N ATOM 0 H LYS A 12 -16.596 7.307 20.185 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.857 5.790 18.740 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.307 7.348 20.580 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.819 6.136 21.738 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.585 5.561 21.649 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.135 4.587 20.300 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.694 6.882 18.943 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.590 7.173 20.272 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.325 4.421 19.290 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.113 5.569 17.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.030 5.127 19.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.476 6.751 19.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.681 5.639 20.589 1.00 0.00 H new ATOM 191 N GLU A 13 -16.700 3.917 20.646 1.00 0.00 N ATOM 192 CA GLU A 13 -17.086 2.543 20.919 1.00 0.00 C ATOM 193 C GLU A 13 -17.440 1.823 19.616 1.00 0.00 C ATOM 194 O GLU A 13 -16.927 0.739 19.342 1.00 0.00 O ATOM 195 CB GLU A 13 -18.249 2.486 21.911 1.00 0.00 C ATOM 196 CG GLU A 13 -18.041 1.371 22.937 1.00 0.00 C ATOM 197 CD GLU A 13 -19.159 0.331 22.851 1.00 0.00 C ATOM 198 OE1 GLU A 13 -20.303 0.698 23.195 1.00 0.00 O ATOM 199 OE2 GLU A 13 -18.845 -0.808 22.444 1.00 0.00 O ATOM 0 H GLU A 13 -17.302 4.621 21.072 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.238 2.032 21.375 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -18.342 3.444 22.423 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -19.182 2.320 21.373 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.078 0.890 22.766 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -18.011 1.796 23.940 1.00 0.00 H new ATOM 206 N GLU A 14 -18.316 2.455 18.848 1.00 0.00 N ATOM 207 CA GLU A 14 -18.745 1.888 17.580 1.00 0.00 C ATOM 208 C GLU A 14 -17.531 1.553 16.710 1.00 0.00 C ATOM 209 O GLU A 14 -17.565 0.603 15.931 1.00 0.00 O ATOM 210 CB GLU A 14 -19.698 2.836 16.850 1.00 0.00 C ATOM 211 CG GLU A 14 -21.129 2.681 17.369 1.00 0.00 C ATOM 212 CD GLU A 14 -21.184 2.856 18.888 1.00 0.00 C ATOM 213 OE1 GLU A 14 -20.892 1.860 19.584 1.00 0.00 O ATOM 214 OE2 GLU A 14 -21.517 3.981 19.318 1.00 0.00 O ATOM 0 H GLU A 14 -18.740 3.353 19.079 1.00 0.00 H new ATOM 0 HA GLU A 14 -19.288 0.965 17.782 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.367 3.866 16.986 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.671 2.631 15.780 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -21.775 3.418 16.891 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -21.513 1.697 17.099 1.00 0.00 H new ATOM 221 N ASP A 15 -16.488 2.353 16.874 1.00 0.00 N ATOM 222 CA ASP A 15 -15.266 2.154 16.113 1.00 0.00 C ATOM 223 C ASP A 15 -14.469 1.001 16.728 1.00 0.00 C ATOM 224 O ASP A 15 -14.012 0.108 16.016 1.00 0.00 O ATOM 225 CB ASP A 15 -14.387 3.406 16.145 1.00 0.00 C ATOM 226 CG ASP A 15 -14.639 4.402 15.011 1.00 0.00 C ATOM 227 OD1 ASP A 15 -15.696 4.263 14.359 1.00 0.00 O ATOM 228 OD2 ASP A 15 -13.769 5.279 14.822 1.00 0.00 O ATOM 0 H ASP A 15 -16.464 3.140 17.522 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.543 1.934 15.082 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.541 3.915 17.096 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.342 3.099 16.113 1.00 0.00 H new ATOM 233 N GLN A 16 -14.328 1.059 18.044 1.00 0.00 N ATOM 234 CA GLN A 16 -13.594 0.031 18.763 1.00 0.00 C ATOM 235 C GLN A 16 -14.148 -1.354 18.421 1.00 0.00 C ATOM 236 O GLN A 16 -13.440 -2.354 18.531 1.00 0.00 O ATOM 237 CB GLN A 16 -13.638 0.280 20.272 1.00 0.00 C ATOM 238 CG GLN A 16 -14.859 -0.390 20.904 1.00 0.00 C ATOM 239 CD GLN A 16 -14.449 -1.615 21.725 1.00 0.00 C ATOM 240 OE1 GLN A 16 -13.762 -1.519 22.728 1.00 0.00 O ATOM 241 NE2 GLN A 16 -14.908 -2.767 21.244 1.00 0.00 N ATOM 0 H GLN A 16 -14.709 1.801 18.631 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.550 0.072 18.451 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -12.728 -0.104 20.734 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.666 1.352 20.466 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -15.379 0.323 21.543 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -15.559 -0.688 20.124 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.479 -2.775 20.399 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.689 -3.642 21.721 1.00 0.00 H new ATOM 250 N LYS A 17 -15.408 -1.368 18.011 1.00 0.00 N ATOM 251 CA LYS A 17 -16.064 -2.613 17.652 1.00 0.00 C ATOM 252 C LYS A 17 -15.718 -2.968 16.204 1.00 0.00 C ATOM 253 O LYS A 17 -15.250 -4.071 15.926 1.00 0.00 O ATOM 254 CB LYS A 17 -17.568 -2.524 17.920 1.00 0.00 C ATOM 255 CG LYS A 17 -18.062 -3.751 18.688 1.00 0.00 C ATOM 256 CD LYS A 17 -19.583 -3.882 18.593 1.00 0.00 C ATOM 257 CE LYS A 17 -20.087 -5.052 19.441 1.00 0.00 C ATOM 258 NZ LYS A 17 -20.108 -4.683 20.874 1.00 0.00 N ATOM 0 H LYS A 17 -15.992 -0.537 17.920 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.700 -3.428 18.277 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -17.786 -1.621 18.491 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.105 -2.442 16.975 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -17.591 -4.649 18.288 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -17.765 -3.674 19.734 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -20.053 -2.957 18.927 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -19.875 -4.030 17.553 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -21.088 -5.338 19.118 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -19.444 -5.920 19.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -20.500 -5.470 21.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -19.139 -4.482 21.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -20.699 -3.838 21.006 1.00 0.00 H new ATOM 272 N VAL A 18 -15.961 -2.012 15.320 1.00 0.00 N ATOM 273 CA VAL A 18 -15.681 -2.209 13.908 1.00 0.00 C ATOM 274 C VAL A 18 -14.207 -2.578 13.732 1.00 0.00 C ATOM 275 O VAL A 18 -13.864 -3.389 12.872 1.00 0.00 O ATOM 276 CB VAL A 18 -16.085 -0.964 13.115 1.00 0.00 C ATOM 277 CG1 VAL A 18 -15.277 -0.852 11.821 1.00 0.00 C ATOM 278 CG2 VAL A 18 -17.587 -0.963 12.825 1.00 0.00 C ATOM 0 H VAL A 18 -16.349 -1.098 15.554 1.00 0.00 H new ATOM 0 HA VAL A 18 -16.272 -3.035 13.513 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.861 -0.090 13.726 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -15.584 0.041 11.277 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -14.216 -0.785 12.060 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -15.455 -1.732 11.203 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -17.848 -0.068 12.261 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -17.846 -1.847 12.243 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -18.139 -0.973 13.765 1.00 0.00 H new ATOM 288 N ILE A 19 -13.373 -1.964 14.559 1.00 0.00 N ATOM 289 CA ILE A 19 -11.944 -2.217 14.505 1.00 0.00 C ATOM 290 C ILE A 19 -11.673 -3.670 14.900 1.00 0.00 C ATOM 291 O ILE A 19 -11.391 -4.508 14.044 1.00 0.00 O ATOM 292 CB ILE A 19 -11.186 -1.197 15.357 1.00 0.00 C ATOM 293 CG1 ILE A 19 -10.895 0.075 14.559 1.00 0.00 C ATOM 294 CG2 ILE A 19 -9.913 -1.810 15.944 1.00 0.00 C ATOM 295 CD1 ILE A 19 -12.112 0.494 13.731 1.00 0.00 C ATOM 0 H ILE A 19 -13.660 -1.292 15.270 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.573 -2.087 13.489 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.822 -0.913 16.196 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.619 0.880 15.240 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.043 -0.092 13.900 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.393 -1.064 16.545 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -10.175 -2.662 16.571 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.262 -2.141 15.135 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.878 1.401 13.173 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.370 -0.304 13.034 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -12.956 0.684 14.395 1.00 0.00 H new ATOM 307 N GLU A 20 -11.766 -3.925 16.197 1.00 0.00 N ATOM 308 CA GLU A 20 -11.535 -5.262 16.716 1.00 0.00 C ATOM 309 C GLU A 20 -12.190 -6.305 15.808 1.00 0.00 C ATOM 310 O GLU A 20 -11.564 -7.300 15.446 1.00 0.00 O ATOM 311 CB GLU A 20 -12.044 -5.389 18.153 1.00 0.00 C ATOM 312 CG GLU A 20 -11.606 -6.716 18.775 1.00 0.00 C ATOM 313 CD GLU A 20 -11.943 -6.760 20.267 1.00 0.00 C ATOM 314 OE1 GLU A 20 -11.143 -6.197 21.046 1.00 0.00 O ATOM 315 OE2 GLU A 20 -12.991 -7.356 20.595 1.00 0.00 O ATOM 0 H GLU A 20 -11.998 -3.228 16.904 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.460 -5.444 16.729 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.665 -4.560 18.751 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.132 -5.319 18.165 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.099 -7.542 18.263 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.533 -6.850 18.637 1.00 0.00 H new ATOM 322 N LEU A 21 -13.442 -6.041 15.465 1.00 0.00 N ATOM 323 CA LEU A 21 -14.190 -6.944 14.606 1.00 0.00 C ATOM 324 C LEU A 21 -13.403 -7.180 13.315 1.00 0.00 C ATOM 325 O LEU A 21 -13.106 -8.321 12.965 1.00 0.00 O ATOM 326 CB LEU A 21 -15.606 -6.414 14.375 1.00 0.00 C ATOM 327 CG LEU A 21 -16.559 -6.506 15.569 1.00 0.00 C ATOM 328 CD1 LEU A 21 -17.750 -5.562 15.393 1.00 0.00 C ATOM 329 CD2 LEU A 21 -17.003 -7.950 15.807 1.00 0.00 C ATOM 0 H LEU A 21 -13.958 -5.214 15.766 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.313 -7.914 15.087 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.537 -5.370 14.070 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -16.046 -6.961 13.541 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.021 -6.184 16.461 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -18.412 -5.647 16.255 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -17.392 -4.536 15.310 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -18.296 -5.830 14.489 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.679 -7.987 16.661 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -17.517 -8.323 14.921 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.130 -8.571 16.009 1.00 0.00 H new ATOM 341 N VAL A 22 -13.089 -6.082 12.642 1.00 0.00 N ATOM 342 CA VAL A 22 -12.344 -6.155 11.397 1.00 0.00 C ATOM 343 C VAL A 22 -10.971 -6.776 11.666 1.00 0.00 C ATOM 344 O VAL A 22 -10.276 -7.180 10.735 1.00 0.00 O ATOM 345 CB VAL A 22 -12.258 -4.769 10.756 1.00 0.00 C ATOM 346 CG1 VAL A 22 -11.155 -4.722 9.697 1.00 0.00 C ATOM 347 CG2 VAL A 22 -13.606 -4.354 10.164 1.00 0.00 C ATOM 0 H VAL A 22 -13.337 -5.137 12.936 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.857 -6.797 10.681 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.002 -4.054 11.538 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.115 -3.726 9.257 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.196 -4.953 10.160 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.367 -5.454 8.918 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -13.517 -3.365 9.715 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.906 -5.073 9.402 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.357 -4.328 10.953 1.00 0.00 H new ATOM 357 N LYS A 23 -10.622 -6.832 12.943 1.00 0.00 N ATOM 358 CA LYS A 23 -9.345 -7.396 13.345 1.00 0.00 C ATOM 359 C LYS A 23 -9.509 -8.898 13.587 1.00 0.00 C ATOM 360 O LYS A 23 -8.524 -9.629 13.663 1.00 0.00 O ATOM 361 CB LYS A 23 -8.780 -6.638 14.548 1.00 0.00 C ATOM 362 CG LYS A 23 -8.035 -5.378 14.101 1.00 0.00 C ATOM 363 CD LYS A 23 -6.771 -5.164 14.937 1.00 0.00 C ATOM 364 CE LYS A 23 -7.110 -5.042 16.423 1.00 0.00 C ATOM 365 NZ LYS A 23 -6.886 -3.658 16.895 1.00 0.00 N ATOM 0 H LYS A 23 -11.201 -6.496 13.712 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.610 -7.279 12.549 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.590 -6.365 15.224 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.104 -7.286 15.106 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.769 -5.463 13.047 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.689 -4.511 14.196 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.085 -5.997 14.784 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.258 -4.262 14.602 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.149 -5.325 16.589 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.495 -5.733 17.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.121 -3.594 17.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.888 -3.401 16.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.491 -3.005 16.357 1.00 0.00 H new ATOM 379 N LYS A 24 -10.763 -9.313 13.700 1.00 0.00 N ATOM 380 CA LYS A 24 -11.069 -10.714 13.932 1.00 0.00 C ATOM 381 C LYS A 24 -11.711 -11.305 12.676 1.00 0.00 C ATOM 382 O LYS A 24 -11.716 -12.521 12.490 1.00 0.00 O ATOM 383 CB LYS A 24 -11.920 -10.876 15.192 1.00 0.00 C ATOM 384 CG LYS A 24 -11.743 -12.269 15.799 1.00 0.00 C ATOM 385 CD LYS A 24 -13.092 -12.975 15.954 1.00 0.00 C ATOM 386 CE LYS A 24 -13.649 -13.398 14.593 1.00 0.00 C ATOM 387 NZ LYS A 24 -13.038 -14.673 14.157 1.00 0.00 N ATOM 0 H LYS A 24 -11.578 -8.703 13.635 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.155 -11.278 14.119 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.640 -10.118 15.924 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.970 -10.712 14.949 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.087 -12.865 15.165 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.258 -12.187 16.771 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.977 -13.851 16.592 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.799 -12.310 16.450 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.732 -13.509 14.655 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.450 -12.621 13.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.773 -15.292 13.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.316 -14.482 13.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.595 -15.143 14.973 1.00 0.00 H new ATOM 401 N TYR A 25 -12.238 -10.418 11.845 1.00 0.00 N ATOM 402 CA TYR A 25 -12.882 -10.836 10.612 1.00 0.00 C ATOM 403 C TYR A 25 -11.899 -10.800 9.440 1.00 0.00 C ATOM 404 O TYR A 25 -11.733 -11.793 8.733 1.00 0.00 O ATOM 405 CB TYR A 25 -14.000 -9.824 10.355 1.00 0.00 C ATOM 406 CG TYR A 25 -15.275 -10.087 11.159 1.00 0.00 C ATOM 407 CD1 TYR A 25 -15.191 -10.610 12.434 1.00 0.00 C ATOM 408 CD2 TYR A 25 -16.508 -9.802 10.610 1.00 0.00 C ATOM 409 CE1 TYR A 25 -16.390 -10.857 13.191 1.00 0.00 C ATOM 410 CE2 TYR A 25 -17.708 -10.050 11.367 1.00 0.00 C ATOM 411 CZ TYR A 25 -17.590 -10.565 12.621 1.00 0.00 C ATOM 412 OH TYR A 25 -18.722 -10.799 13.336 1.00 0.00 O ATOM 0 H TYR A 25 -12.232 -9.410 12.002 1.00 0.00 H new ATOM 0 HA TYR A 25 -13.254 -11.857 10.701 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.633 -8.825 10.592 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -14.245 -9.830 9.293 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -14.226 -10.834 12.863 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -16.574 -9.393 9.613 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -16.338 -11.265 14.190 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -18.680 -9.832 10.949 1.00 0.00 H new ATOM 0 HH TYR A 25 -18.983 -9.983 13.812 1.00 0.00 H new ATOM 422 N GLY A 26 -11.272 -9.645 9.271 1.00 0.00 N ATOM 423 CA GLY A 26 -10.309 -9.467 8.197 1.00 0.00 C ATOM 424 C GLY A 26 -10.366 -8.042 7.640 1.00 0.00 C ATOM 425 O GLY A 26 -10.072 -7.082 8.351 1.00 0.00 O ATOM 0 H GLY A 26 -11.412 -8.824 9.859 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.305 -9.677 8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.512 -10.182 7.399 1.00 0.00 H new ATOM 429 N THR A 27 -10.747 -7.951 6.375 1.00 0.00 N ATOM 430 CA THR A 27 -10.846 -6.660 5.715 1.00 0.00 C ATOM 431 C THR A 27 -11.679 -6.777 4.436 1.00 0.00 C ATOM 432 O THR A 27 -11.466 -6.031 3.482 1.00 0.00 O ATOM 433 CB THR A 27 -9.427 -6.143 5.471 1.00 0.00 C ATOM 434 OG1 THR A 27 -8.667 -7.322 5.221 1.00 0.00 O ATOM 435 CG2 THR A 27 -8.794 -5.551 6.732 1.00 0.00 C ATOM 0 H THR A 27 -10.991 -8.750 5.789 1.00 0.00 H new ATOM 0 HA THR A 27 -11.368 -5.935 6.340 1.00 0.00 H new ATOM 0 HB THR A 27 -9.446 -5.387 4.686 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.733 -7.079 5.051 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.788 -5.199 6.503 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.399 -4.716 7.085 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.743 -6.316 7.507 1.00 0.00 H new ATOM 443 N LYS A 28 -12.610 -7.720 4.459 1.00 0.00 N ATOM 444 CA LYS A 28 -13.475 -7.944 3.314 1.00 0.00 C ATOM 445 C LYS A 28 -14.926 -8.045 3.788 1.00 0.00 C ATOM 446 O LYS A 28 -15.817 -8.379 3.008 1.00 0.00 O ATOM 447 CB LYS A 28 -13.003 -9.162 2.516 1.00 0.00 C ATOM 448 CG LYS A 28 -12.670 -8.776 1.073 1.00 0.00 C ATOM 449 CD LYS A 28 -11.909 -9.900 0.368 1.00 0.00 C ATOM 450 CE LYS A 28 -12.372 -10.049 -1.083 1.00 0.00 C ATOM 451 NZ LYS A 28 -11.786 -11.265 -1.692 1.00 0.00 N ATOM 0 H LYS A 28 -12.784 -8.337 5.252 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.422 -7.100 2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.124 -9.595 2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.778 -9.928 2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.589 -8.558 0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.071 -7.865 1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.839 -9.691 0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.063 -10.838 0.901 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.460 -10.105 -1.120 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.078 -9.170 -1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.110 -11.351 -2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.748 -11.197 -1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.087 -12.102 -1.154 1.00 0.00 H new ATOM 465 N GLN A 29 -15.119 -7.750 5.065 1.00 0.00 N ATOM 466 CA GLN A 29 -16.447 -7.803 5.653 1.00 0.00 C ATOM 467 C GLN A 29 -16.839 -6.430 6.204 1.00 0.00 C ATOM 468 O GLN A 29 -16.511 -6.096 7.341 1.00 0.00 O ATOM 469 CB GLN A 29 -16.521 -8.872 6.745 1.00 0.00 C ATOM 470 CG GLN A 29 -16.930 -10.226 6.159 1.00 0.00 C ATOM 471 CD GLN A 29 -15.760 -11.212 6.190 1.00 0.00 C ATOM 472 OE1 GLN A 29 -15.007 -11.351 5.240 1.00 0.00 O ATOM 473 NE2 GLN A 29 -15.651 -11.886 7.331 1.00 0.00 N ATOM 0 H GLN A 29 -14.378 -7.473 5.709 1.00 0.00 H new ATOM 0 HA GLN A 29 -17.157 -8.077 4.873 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.553 -8.962 7.237 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -17.239 -8.570 7.507 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -17.768 -10.633 6.724 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -17.272 -10.094 5.133 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.316 -11.721 8.087 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.902 -12.568 7.451 1.00 0.00 H new ATOM 482 N TRP A 30 -17.537 -5.671 5.371 1.00 0.00 N ATOM 483 CA TRP A 30 -17.977 -4.342 5.759 1.00 0.00 C ATOM 484 C TRP A 30 -19.290 -4.487 6.532 1.00 0.00 C ATOM 485 O TRP A 30 -19.809 -3.509 7.068 1.00 0.00 O ATOM 486 CB TRP A 30 -18.099 -3.427 4.540 1.00 0.00 C ATOM 487 CG TRP A 30 -16.822 -2.649 4.216 1.00 0.00 C ATOM 488 CD1 TRP A 30 -15.770 -3.054 3.492 1.00 0.00 C ATOM 489 CD2 TRP A 30 -16.504 -1.305 4.637 1.00 0.00 C ATOM 490 NE1 TRP A 30 -14.801 -2.075 3.415 1.00 0.00 N ATOM 491 CE2 TRP A 30 -15.261 -0.978 4.134 1.00 0.00 C ATOM 492 CE3 TRP A 30 -17.241 -0.397 5.417 1.00 0.00 C ATOM 493 CZ2 TRP A 30 -14.647 0.261 4.355 1.00 0.00 C ATOM 494 CZ3 TRP A 30 -16.613 0.836 5.629 1.00 0.00 C ATOM 495 CH2 TRP A 30 -15.363 1.181 5.129 1.00 0.00 C ATOM 0 H TRP A 30 -17.808 -5.952 4.429 1.00 0.00 H new ATOM 0 HA TRP A 30 -17.241 -3.866 6.407 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -18.376 -4.028 3.674 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -18.910 -2.719 4.709 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -15.690 -4.025 3.027 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -13.911 -2.144 2.921 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -18.215 -0.632 5.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -13.673 0.494 3.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -17.137 1.571 6.223 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -14.946 2.155 5.337 1.00 0.00 H new ATOM 506 N THR A 31 -19.788 -5.714 6.566 1.00 0.00 N ATOM 507 CA THR A 31 -21.030 -5.999 7.264 1.00 0.00 C ATOM 508 C THR A 31 -20.836 -5.857 8.775 1.00 0.00 C ATOM 509 O THR A 31 -21.639 -5.215 9.450 1.00 0.00 O ATOM 510 CB THR A 31 -21.503 -7.390 6.839 1.00 0.00 C ATOM 511 OG1 THR A 31 -22.680 -7.139 6.076 1.00 0.00 O ATOM 512 CG2 THR A 31 -21.997 -8.227 8.021 1.00 0.00 C ATOM 0 H THR A 31 -19.354 -6.523 6.121 1.00 0.00 H new ATOM 0 HA THR A 31 -21.807 -5.282 6.999 1.00 0.00 H new ATOM 0 HB THR A 31 -20.688 -7.913 6.339 1.00 0.00 H new ATOM 0 HG1 THR A 31 -23.052 -7.989 5.759 1.00 0.00 H new ATOM 0 HG21 THR A 31 -22.321 -9.205 7.664 1.00 0.00 H new ATOM 0 HG22 THR A 31 -21.188 -8.353 8.741 1.00 0.00 H new ATOM 0 HG23 THR A 31 -22.834 -7.720 8.501 1.00 0.00 H new ATOM 520 N LEU A 32 -19.766 -6.468 9.262 1.00 0.00 N ATOM 521 CA LEU A 32 -19.457 -6.419 10.681 1.00 0.00 C ATOM 522 C LEU A 32 -19.457 -4.962 11.148 1.00 0.00 C ATOM 523 O LEU A 32 -19.524 -4.690 12.346 1.00 0.00 O ATOM 524 CB LEU A 32 -18.148 -7.157 10.970 1.00 0.00 C ATOM 525 CG LEU A 32 -16.867 -6.336 10.816 1.00 0.00 C ATOM 526 CD1 LEU A 32 -16.847 -5.160 11.794 1.00 0.00 C ATOM 527 CD2 LEU A 32 -15.628 -7.222 10.960 1.00 0.00 C ATOM 0 H LEU A 32 -19.102 -7.000 8.699 1.00 0.00 H new ATOM 0 HA LEU A 32 -20.223 -6.939 11.256 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.189 -7.542 11.989 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -18.086 -8.019 10.306 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.849 -5.917 9.810 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.925 -4.593 11.663 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.702 -4.512 11.601 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.900 -5.536 12.816 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.731 -6.614 10.846 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.627 -7.689 11.945 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.642 -7.995 10.192 1.00 0.00 H new ATOM 539 N ILE A 33 -19.381 -4.063 10.178 1.00 0.00 N ATOM 540 CA ILE A 33 -19.371 -2.640 10.474 1.00 0.00 C ATOM 541 C ILE A 33 -20.808 -2.115 10.477 1.00 0.00 C ATOM 542 O ILE A 33 -21.216 -1.420 11.406 1.00 0.00 O ATOM 543 CB ILE A 33 -18.447 -1.898 9.508 1.00 0.00 C ATOM 544 CG1 ILE A 33 -16.982 -2.261 9.761 1.00 0.00 C ATOM 545 CG2 ILE A 33 -18.682 -0.387 9.575 1.00 0.00 C ATOM 546 CD1 ILE A 33 -16.622 -3.586 9.084 1.00 0.00 C ATOM 0 H ILE A 33 -19.326 -4.292 9.186 1.00 0.00 H new ATOM 0 HA ILE A 33 -18.963 -2.460 11.469 1.00 0.00 H new ATOM 0 HB ILE A 33 -18.687 -2.217 8.494 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -16.336 -1.468 9.383 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -16.802 -2.335 10.833 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -18.012 0.117 8.878 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -19.716 -0.167 9.308 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -18.486 -0.033 10.587 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -15.576 -3.822 9.279 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -17.253 -4.381 9.481 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -16.781 -3.500 8.009 1.00 0.00 H new ATOM 558 N ALA A 34 -21.535 -2.467 9.428 1.00 0.00 N ATOM 559 CA ALA A 34 -22.918 -2.039 9.298 1.00 0.00 C ATOM 560 C ALA A 34 -23.842 -3.164 9.769 1.00 0.00 C ATOM 561 O ALA A 34 -24.971 -3.283 9.297 1.00 0.00 O ATOM 562 CB ALA A 34 -23.192 -1.628 7.849 1.00 0.00 C ATOM 0 H ALA A 34 -21.193 -3.044 8.659 1.00 0.00 H new ATOM 0 HA ALA A 34 -23.111 -1.169 9.926 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -24.229 -1.307 7.752 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -22.531 -0.807 7.572 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -23.012 -2.477 7.190 1.00 0.00 H new ATOM 568 N LYS A 35 -23.327 -3.961 10.694 1.00 0.00 N ATOM 569 CA LYS A 35 -24.091 -5.072 11.234 1.00 0.00 C ATOM 570 C LYS A 35 -24.123 -4.970 12.760 1.00 0.00 C ATOM 571 O LYS A 35 -25.140 -5.265 13.385 1.00 0.00 O ATOM 572 CB LYS A 35 -23.540 -6.403 10.718 1.00 0.00 C ATOM 573 CG LYS A 35 -24.469 -7.561 11.087 1.00 0.00 C ATOM 574 CD LYS A 35 -23.856 -8.905 10.686 1.00 0.00 C ATOM 575 CE LYS A 35 -24.135 -9.973 11.746 1.00 0.00 C ATOM 576 NZ LYS A 35 -24.325 -11.296 11.111 1.00 0.00 N ATOM 0 H LYS A 35 -22.390 -3.859 11.083 1.00 0.00 H new ATOM 0 HA LYS A 35 -25.124 -5.026 10.889 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -23.423 -6.357 9.635 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -22.550 -6.578 11.139 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -24.661 -7.550 12.160 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -25.431 -7.433 10.590 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -24.265 -9.224 9.727 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -22.780 -8.793 10.552 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -23.306 -10.018 12.453 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -25.025 -9.705 12.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -24.513 -12.009 11.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -25.130 -11.253 10.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -23.465 -11.557 10.587 1.00 0.00 H new ATOM 590 N HIS A 36 -22.996 -4.550 13.317 1.00 0.00 N ATOM 591 CA HIS A 36 -22.881 -4.406 14.758 1.00 0.00 C ATOM 592 C HIS A 36 -23.395 -3.027 15.177 1.00 0.00 C ATOM 593 O HIS A 36 -23.561 -2.758 16.366 1.00 0.00 O ATOM 594 CB HIS A 36 -21.446 -4.669 15.218 1.00 0.00 C ATOM 595 CG HIS A 36 -20.848 -5.941 14.668 1.00 0.00 C ATOM 596 ND1 HIS A 36 -20.853 -6.455 13.404 1.00 0.00 N flip ATOM 597 CD2 HIS A 36 -20.149 -6.842 15.453 1.00 0.00 C flip ATOM 598 CE1 HIS A 36 -20.192 -7.606 13.416 1.00 0.00 C flip ATOM 599 NE2 HIS A 36 -19.755 -7.848 14.686 1.00 0.00 N flip ATOM 0 H HIS A 36 -22.154 -4.305 12.796 1.00 0.00 H new ATOM 0 HA HIS A 36 -23.501 -5.153 15.253 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -20.820 -3.827 14.921 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -21.427 -4.712 16.307 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -21.291 -6.027 12.588 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -19.957 -6.742 16.511 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -20.027 -8.246 12.562 1.00 0.00 H new ATOM 607 N LEU A 37 -23.633 -2.190 14.178 1.00 0.00 N ATOM 608 CA LEU A 37 -24.124 -0.846 14.428 1.00 0.00 C ATOM 609 C LEU A 37 -25.132 -0.465 13.341 1.00 0.00 C ATOM 610 O LEU A 37 -24.757 -0.254 12.189 1.00 0.00 O ATOM 611 CB LEU A 37 -22.958 0.136 14.557 1.00 0.00 C ATOM 612 CG LEU A 37 -21.641 -0.451 15.069 1.00 0.00 C ATOM 613 CD1 LEU A 37 -20.450 0.394 14.612 1.00 0.00 C ATOM 614 CD2 LEU A 37 -21.672 -0.623 16.589 1.00 0.00 C ATOM 0 H LEU A 37 -23.495 -2.417 13.193 1.00 0.00 H new ATOM 0 HA LEU A 37 -24.651 -0.805 15.381 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -22.777 0.585 13.580 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -23.259 0.941 15.227 1.00 0.00 H new ATOM 0 HG LEU A 37 -21.517 -1.443 14.635 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -19.526 -0.045 14.989 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -20.420 0.422 13.523 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -20.554 1.408 14.998 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -20.724 -1.042 16.927 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -21.830 0.346 17.062 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -22.484 -1.296 16.862 1.00 0.00 H new ATOM 626 N LYS A 38 -26.391 -0.389 13.747 1.00 0.00 N ATOM 627 CA LYS A 38 -27.455 -0.038 12.822 1.00 0.00 C ATOM 628 C LYS A 38 -27.803 1.442 12.991 1.00 0.00 C ATOM 629 O LYS A 38 -28.117 1.888 14.094 1.00 0.00 O ATOM 630 CB LYS A 38 -28.651 -0.975 12.999 1.00 0.00 C ATOM 631 CG LYS A 38 -29.317 -0.762 14.360 1.00 0.00 C ATOM 632 CD LYS A 38 -30.336 0.378 14.298 1.00 0.00 C ATOM 633 CE LYS A 38 -31.759 -0.165 14.152 1.00 0.00 C ATOM 634 NZ LYS A 38 -32.653 0.446 15.161 1.00 0.00 N ATOM 0 H LYS A 38 -26.698 -0.564 14.704 1.00 0.00 H new ATOM 0 HA LYS A 38 -27.124 -0.173 11.792 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -29.376 -0.800 12.204 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -28.323 -2.011 12.909 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -29.812 -1.681 14.675 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -28.558 -0.536 15.109 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -30.265 0.983 15.202 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -30.105 1.032 13.457 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -32.134 0.045 13.150 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -31.755 -1.249 14.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -33.615 0.067 15.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -32.303 0.224 16.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -32.670 1.478 15.030 1.00 0.00 H new ATOM 648 N GLY A 39 -27.737 2.164 11.881 1.00 0.00 N ATOM 649 CA GLY A 39 -28.042 3.584 11.893 1.00 0.00 C ATOM 650 C GLY A 39 -27.476 4.277 10.652 1.00 0.00 C ATOM 651 O GLY A 39 -28.011 5.289 10.203 1.00 0.00 O ATOM 0 H GLY A 39 -27.477 1.791 10.968 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -29.122 3.727 11.933 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -27.626 4.041 12.791 1.00 0.00 H new ATOM 655 N ARG A 40 -26.401 3.703 10.132 1.00 0.00 N ATOM 656 CA ARG A 40 -25.756 4.252 8.951 1.00 0.00 C ATOM 657 C ARG A 40 -25.456 3.140 7.944 1.00 0.00 C ATOM 658 O ARG A 40 -25.514 1.959 8.283 1.00 0.00 O ATOM 659 CB ARG A 40 -24.453 4.965 9.317 1.00 0.00 C ATOM 660 CG ARG A 40 -24.722 6.402 9.768 1.00 0.00 C ATOM 661 CD ARG A 40 -24.627 7.374 8.591 1.00 0.00 C ATOM 662 NE ARG A 40 -23.855 8.573 8.985 1.00 0.00 N ATOM 663 CZ ARG A 40 -22.569 8.549 9.360 1.00 0.00 C ATOM 664 NH1 ARG A 40 -21.903 7.387 9.395 1.00 0.00 N ATOM 665 NH2 ARG A 40 -21.949 9.687 9.701 1.00 0.00 N ATOM 0 H ARG A 40 -25.960 2.863 10.507 1.00 0.00 H new ATOM 0 HA ARG A 40 -26.440 4.975 8.505 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -23.947 4.419 10.113 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -23.783 4.969 8.457 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -25.713 6.466 10.218 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -24.004 6.686 10.537 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -24.147 6.885 7.743 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -25.626 7.665 8.268 1.00 0.00 H new ATOM 0 HE ARG A 40 -24.332 9.475 8.970 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -22.375 6.521 9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -20.924 7.369 9.680 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -22.456 10.572 9.675 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -20.970 9.669 9.986 1.00 0.00 H new ATOM 679 N LEU A 41 -25.140 3.557 6.727 1.00 0.00 N ATOM 680 CA LEU A 41 -24.830 2.610 5.669 1.00 0.00 C ATOM 681 C LEU A 41 -23.391 2.118 5.836 1.00 0.00 C ATOM 682 O LEU A 41 -22.608 2.719 6.569 1.00 0.00 O ATOM 683 CB LEU A 41 -25.114 3.228 4.298 1.00 0.00 C ATOM 684 CG LEU A 41 -26.516 2.991 3.733 1.00 0.00 C ATOM 685 CD1 LEU A 41 -26.668 1.555 3.227 1.00 0.00 C ATOM 686 CD2 LEU A 41 -27.590 3.353 4.761 1.00 0.00 C ATOM 0 H LEU A 41 -25.092 4.537 6.450 1.00 0.00 H new ATOM 0 HA LEU A 41 -25.476 1.735 5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -24.948 4.303 4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -24.386 2.836 3.587 1.00 0.00 H new ATOM 0 HG LEU A 41 -26.655 3.651 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -27.673 1.413 2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -25.938 1.367 2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -26.501 0.860 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -28.577 3.175 4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -27.464 2.737 5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -27.495 4.405 5.031 1.00 0.00 H new ATOM 698 N GLY A 42 -23.088 1.030 5.143 1.00 0.00 N ATOM 699 CA GLY A 42 -21.757 0.451 5.205 1.00 0.00 C ATOM 700 C GLY A 42 -20.995 0.686 3.899 1.00 0.00 C ATOM 701 O GLY A 42 -21.151 -0.068 2.941 1.00 0.00 O ATOM 0 H GLY A 42 -23.741 0.535 4.536 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -21.204 0.889 6.036 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -21.831 -0.619 5.400 1.00 0.00 H new ATOM 705 N LYS A 43 -20.186 1.736 3.905 1.00 0.00 N ATOM 706 CA LYS A 43 -19.399 2.080 2.732 1.00 0.00 C ATOM 707 C LYS A 43 -18.300 3.066 3.133 1.00 0.00 C ATOM 708 O LYS A 43 -17.150 2.919 2.723 1.00 0.00 O ATOM 709 CB LYS A 43 -20.305 2.592 1.610 1.00 0.00 C ATOM 710 CG LYS A 43 -19.745 2.213 0.238 1.00 0.00 C ATOM 711 CD LYS A 43 -19.875 0.709 -0.011 1.00 0.00 C ATOM 712 CE LYS A 43 -21.013 0.411 -0.990 1.00 0.00 C ATOM 713 NZ LYS A 43 -21.468 -0.989 -0.845 1.00 0.00 N ATOM 0 H LYS A 43 -20.059 2.359 4.702 1.00 0.00 H new ATOM 0 HA LYS A 43 -18.904 1.195 2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -21.305 2.175 1.726 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -20.401 3.675 1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.277 2.761 -0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -18.697 2.506 0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -18.937 0.320 -0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -20.058 0.195 0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.845 1.091 -0.807 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -20.677 0.586 -2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -22.240 -1.174 -1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -20.676 -1.634 -1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -21.808 -1.145 0.125 1.00 0.00 H new ATOM 727 N GLN A 44 -18.693 4.049 3.930 1.00 0.00 N ATOM 728 CA GLN A 44 -17.755 5.059 4.390 1.00 0.00 C ATOM 729 C GLN A 44 -17.566 4.957 5.905 1.00 0.00 C ATOM 730 O GLN A 44 -18.363 5.497 6.672 1.00 0.00 O ATOM 731 CB GLN A 44 -18.218 6.461 3.989 1.00 0.00 C ATOM 732 CG GLN A 44 -19.572 6.792 4.619 1.00 0.00 C ATOM 733 CD GLN A 44 -20.547 7.333 3.571 1.00 0.00 C ATOM 734 OE1 GLN A 44 -20.710 8.529 3.395 1.00 0.00 O ATOM 735 NE2 GLN A 44 -21.184 6.387 2.886 1.00 0.00 N ATOM 0 H GLN A 44 -19.648 4.167 4.269 1.00 0.00 H new ATOM 0 HA GLN A 44 -16.793 4.879 3.910 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -17.477 7.196 4.303 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -18.292 6.527 2.904 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -19.990 5.898 5.082 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -19.438 7.529 5.411 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -21.001 5.403 3.084 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -21.856 6.645 2.163 1.00 0.00 H new ATOM 744 N CYS A 45 -16.507 4.260 6.292 1.00 0.00 N ATOM 745 CA CYS A 45 -16.204 4.080 7.701 1.00 0.00 C ATOM 746 C CYS A 45 -14.710 3.780 7.837 1.00 0.00 C ATOM 747 O CYS A 45 -13.928 4.656 8.204 1.00 0.00 O ATOM 748 CB CYS A 45 -17.066 2.983 8.330 1.00 0.00 C ATOM 749 SG CYS A 45 -17.679 3.529 9.965 1.00 0.00 S ATOM 0 H CYS A 45 -15.849 3.813 5.654 1.00 0.00 H new ATOM 0 HA CYS A 45 -16.441 4.994 8.246 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -17.907 2.750 7.676 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -16.483 2.068 8.438 1.00 0.00 H new ATOM 0 HG CYS A 45 -18.411 2.591 10.489 1.00 0.00 H new ATOM 755 N ARG A 46 -14.358 2.539 7.533 1.00 0.00 N ATOM 756 CA ARG A 46 -12.972 2.113 7.616 1.00 0.00 C ATOM 757 C ARG A 46 -12.300 2.221 6.245 1.00 0.00 C ATOM 758 O ARG A 46 -12.101 1.215 5.567 1.00 0.00 O ATOM 759 CB ARG A 46 -12.868 0.670 8.114 1.00 0.00 C ATOM 760 CG ARG A 46 -13.703 -0.272 7.244 1.00 0.00 C ATOM 761 CD ARG A 46 -13.630 -1.709 7.765 1.00 0.00 C ATOM 762 NE ARG A 46 -14.383 -2.612 6.866 1.00 0.00 N ATOM 763 CZ ARG A 46 -14.124 -3.919 6.726 1.00 0.00 C ATOM 764 NH1 ARG A 46 -13.130 -4.484 7.425 1.00 0.00 N ATOM 765 NH2 ARG A 46 -14.859 -4.662 5.887 1.00 0.00 N ATOM 0 H ARG A 46 -15.009 1.815 7.229 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.466 2.768 8.325 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.825 0.352 8.103 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.208 0.613 9.148 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.740 0.062 7.232 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.345 -0.236 6.215 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.590 -2.029 7.828 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.041 -1.760 8.773 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.147 -2.214 6.319 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.570 -3.919 8.064 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.933 -5.479 7.318 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.616 -4.232 5.355 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.662 -5.657 5.781 1.00 0.00 H new ATOM 779 N GLU A 47 -11.970 3.451 5.879 1.00 0.00 N ATOM 780 CA GLU A 47 -11.325 3.703 4.602 1.00 0.00 C ATOM 781 C GLU A 47 -9.876 4.145 4.818 1.00 0.00 C ATOM 782 O GLU A 47 -9.085 4.171 3.876 1.00 0.00 O ATOM 783 CB GLU A 47 -12.100 4.745 3.793 1.00 0.00 C ATOM 784 CG GLU A 47 -11.491 4.922 2.401 1.00 0.00 C ATOM 785 CD GLU A 47 -12.548 4.735 1.311 1.00 0.00 C ATOM 786 OE1 GLU A 47 -13.656 5.286 1.494 1.00 0.00 O ATOM 787 OE2 GLU A 47 -12.226 4.045 0.320 1.00 0.00 O ATOM 0 H GLU A 47 -12.137 4.283 6.444 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.321 2.775 4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.142 4.438 3.702 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.094 5.699 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.049 5.915 2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.685 4.202 2.259 1.00 0.00 H new ATOM 794 N ARG A 48 -9.572 4.480 6.063 1.00 0.00 N ATOM 795 CA ARG A 48 -8.232 4.919 6.414 1.00 0.00 C ATOM 796 C ARG A 48 -7.405 3.739 6.929 1.00 0.00 C ATOM 797 O ARG A 48 -6.752 3.047 6.149 1.00 0.00 O ATOM 798 CB ARG A 48 -8.272 6.010 7.485 1.00 0.00 C ATOM 799 CG ARG A 48 -8.382 7.398 6.850 1.00 0.00 C ATOM 800 CD ARG A 48 -9.725 8.050 7.186 1.00 0.00 C ATOM 801 NE ARG A 48 -9.639 9.515 6.993 1.00 0.00 N ATOM 802 CZ ARG A 48 -8.997 10.346 7.825 1.00 0.00 C ATOM 803 NH1 ARG A 48 -8.381 9.861 8.912 1.00 0.00 N ATOM 804 NH2 ARG A 48 -8.971 11.661 7.570 1.00 0.00 N ATOM 0 H ARG A 48 -10.231 4.456 6.841 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.771 5.326 5.514 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.120 5.842 8.149 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -7.372 5.957 8.097 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.568 8.030 7.205 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -8.274 7.317 5.768 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.508 7.637 6.551 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.999 7.826 8.217 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.097 9.917 6.175 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.401 8.860 9.105 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.892 10.493 9.546 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.440 12.029 6.743 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.482 12.294 8.203 1.00 0.00 H new ATOM 818 N TRP A 49 -7.460 3.546 8.238 1.00 0.00 N ATOM 819 CA TRP A 49 -6.724 2.462 8.866 1.00 0.00 C ATOM 820 C TRP A 49 -6.866 1.220 7.984 1.00 0.00 C ATOM 821 O TRP A 49 -5.969 0.380 7.939 1.00 0.00 O ATOM 822 CB TRP A 49 -7.203 2.233 10.301 1.00 0.00 C ATOM 823 CG TRP A 49 -8.711 2.006 10.425 1.00 0.00 C ATOM 824 CD1 TRP A 49 -9.696 2.899 10.256 1.00 0.00 C ATOM 825 CD2 TRP A 49 -9.370 0.765 10.754 1.00 0.00 C ATOM 826 NE1 TRP A 49 -10.937 2.326 10.450 1.00 0.00 N ATOM 827 CE2 TRP A 49 -10.732 0.987 10.763 1.00 0.00 C ATOM 828 CE3 TRP A 49 -8.833 -0.504 11.034 1.00 0.00 C ATOM 829 CZ2 TRP A 49 -11.670 -0.012 11.046 1.00 0.00 C ATOM 830 CZ3 TRP A 49 -9.784 -1.492 11.315 1.00 0.00 C ATOM 831 CH2 TRP A 49 -11.158 -1.285 11.328 1.00 0.00 C ATOM 0 H TRP A 49 -8.003 4.122 8.881 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.666 2.712 8.948 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -6.681 1.370 10.714 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.925 3.094 10.908 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -9.539 3.936 10.000 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.838 2.798 10.377 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -7.771 -0.701 11.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.731 0.188 11.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -9.424 -2.486 11.537 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -11.828 -2.101 11.554 1.00 0.00 H new ATOM 842 N HIS A 50 -8.000 1.144 7.302 1.00 0.00 N ATOM 843 CA HIS A 50 -8.271 0.020 6.423 1.00 0.00 C ATOM 844 C HIS A 50 -7.226 -0.022 5.306 1.00 0.00 C ATOM 845 O HIS A 50 -6.442 -0.966 5.219 1.00 0.00 O ATOM 846 CB HIS A 50 -9.704 0.078 5.892 1.00 0.00 C ATOM 847 CG HIS A 50 -10.070 -1.071 4.984 1.00 0.00 C ATOM 848 ND1 HIS A 50 -9.321 -1.417 3.873 1.00 0.00 N ATOM 849 CD2 HIS A 50 -11.112 -1.951 5.035 1.00 0.00 C ATOM 850 CE1 HIS A 50 -9.896 -2.458 3.288 1.00 0.00 C ATOM 851 NE2 HIS A 50 -11.006 -2.787 4.010 1.00 0.00 N ATOM 0 H HIS A 50 -8.742 1.843 7.341 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.191 -0.911 6.983 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -10.393 0.094 6.736 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.842 1.014 5.350 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.891 -1.965 5.783 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -9.547 -2.958 2.396 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -11.649 -3.550 3.797 1.00 0.00 H new ATOM 859 N ASN A 51 -7.249 1.013 4.480 1.00 0.00 N ATOM 860 CA ASN A 51 -6.313 1.107 3.372 1.00 0.00 C ATOM 861 C ASN A 51 -5.252 2.161 3.694 1.00 0.00 C ATOM 862 O ASN A 51 -4.876 2.335 4.852 1.00 0.00 O ATOM 863 CB ASN A 51 -7.024 1.530 2.085 1.00 0.00 C ATOM 864 CG ASN A 51 -8.354 0.790 1.925 1.00 0.00 C ATOM 865 OD1 ASN A 51 -9.340 1.282 2.669 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 -8.476 -0.165 1.175 1.00 0.00 N flip ATOM 0 H ASN A 51 -7.901 1.794 4.555 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.861 0.126 3.229 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.201 2.605 2.100 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.384 1.324 1.227 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.677 -0.492 0.632 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.377 -0.636 1.092 1.00 0.00 H new ATOM 1023 N SER A 61 12.188 3.497 -9.391 1.00 0.00 N ATOM 1024 CA SER A 61 13.088 2.357 -9.432 1.00 0.00 C ATOM 1025 C SER A 61 12.283 1.060 -9.540 1.00 0.00 C ATOM 1026 O SER A 61 11.185 1.050 -10.094 1.00 0.00 O ATOM 1027 CB SER A 61 13.989 2.321 -8.196 1.00 0.00 C ATOM 1028 OG SER A 61 14.229 3.624 -7.673 1.00 0.00 O ATOM 0 HA SER A 61 13.726 2.456 -10.310 1.00 0.00 H new ATOM 0 HB2 SER A 61 13.526 1.702 -7.428 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.939 1.853 -8.453 1.00 0.00 H new ATOM 0 HG SER A 61 13.492 4.218 -7.924 1.00 0.00 H new ATOM 1034 N TRP A 62 12.862 -0.004 -9.002 1.00 0.00 N ATOM 1035 CA TRP A 62 12.212 -1.304 -9.031 1.00 0.00 C ATOM 1036 C TRP A 62 10.912 -1.201 -8.231 1.00 0.00 C ATOM 1037 O TRP A 62 10.634 -0.169 -7.623 1.00 0.00 O ATOM 1038 CB TRP A 62 13.149 -2.396 -8.511 1.00 0.00 C ATOM 1039 CG TRP A 62 14.504 -2.444 -9.221 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.645 -1.841 -8.861 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.814 -3.162 -10.434 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.664 -2.116 -9.750 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.143 -2.945 -10.737 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.999 -3.968 -11.248 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.774 -3.498 -11.857 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.645 -4.514 -12.364 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.981 -4.305 -12.683 1.00 0.00 C ATOM 0 H TRP A 62 13.773 0.007 -8.544 1.00 0.00 H new ATOM 0 HA TRP A 62 11.969 -1.591 -10.054 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.314 -2.241 -7.445 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.659 -3.363 -8.620 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.754 -1.218 -7.985 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.623 -1.774 -9.693 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.957 -4.152 -11.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.816 -3.313 -12.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 14.064 -5.142 -13.023 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.406 -4.763 -13.564 1.00 0.00 H new ATOM 1058 N THR A 63 10.151 -2.285 -8.258 1.00 0.00 N ATOM 1059 CA THR A 63 8.887 -2.329 -7.543 1.00 0.00 C ATOM 1060 C THR A 63 8.866 -3.510 -6.570 1.00 0.00 C ATOM 1061 O THR A 63 9.917 -4.014 -6.177 1.00 0.00 O ATOM 1062 CB THR A 63 7.760 -2.374 -8.577 1.00 0.00 C ATOM 1063 OG1 THR A 63 7.833 -3.692 -9.113 1.00 0.00 O ATOM 1064 CG2 THR A 63 8.032 -1.467 -9.779 1.00 0.00 C ATOM 0 H THR A 63 10.385 -3.139 -8.764 1.00 0.00 H new ATOM 0 HA THR A 63 8.749 -1.439 -6.929 1.00 0.00 H new ATOM 0 HB THR A 63 6.823 -2.080 -8.105 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.984 -3.915 -9.549 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.202 -1.536 -10.482 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.136 -0.436 -9.441 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.952 -1.782 -10.272 1.00 0.00 H new ATOM 1072 N GLU A 64 7.657 -3.916 -6.209 1.00 0.00 N ATOM 1073 CA GLU A 64 7.485 -5.028 -5.289 1.00 0.00 C ATOM 1074 C GLU A 64 7.638 -6.358 -6.030 1.00 0.00 C ATOM 1075 O GLU A 64 8.691 -6.991 -5.966 1.00 0.00 O ATOM 1076 CB GLU A 64 6.133 -4.948 -4.579 1.00 0.00 C ATOM 1077 CG GLU A 64 6.228 -4.094 -3.313 1.00 0.00 C ATOM 1078 CD GLU A 64 6.673 -4.936 -2.116 1.00 0.00 C ATOM 1079 OE1 GLU A 64 6.255 -6.113 -2.062 1.00 0.00 O ATOM 1080 OE2 GLU A 64 7.422 -4.384 -1.281 1.00 0.00 O ATOM 0 H GLU A 64 6.788 -3.495 -6.537 1.00 0.00 H new ATOM 0 HA GLU A 64 8.262 -4.968 -4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.389 -4.524 -5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.794 -5.951 -4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.934 -3.279 -3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.260 -3.640 -3.103 1.00 0.00 H new ATOM 1087 N GLU A 65 6.572 -6.743 -6.716 1.00 0.00 N ATOM 1088 CA GLU A 65 6.574 -7.986 -7.468 1.00 0.00 C ATOM 1089 C GLU A 65 7.880 -8.129 -8.253 1.00 0.00 C ATOM 1090 O GLU A 65 8.387 -9.237 -8.424 1.00 0.00 O ATOM 1091 CB GLU A 65 5.363 -8.065 -8.400 1.00 0.00 C ATOM 1092 CG GLU A 65 4.057 -8.069 -7.603 1.00 0.00 C ATOM 1093 CD GLU A 65 3.034 -9.017 -8.231 1.00 0.00 C ATOM 1094 OE1 GLU A 65 2.318 -8.554 -9.145 1.00 0.00 O ATOM 1095 OE2 GLU A 65 2.991 -10.183 -7.783 1.00 0.00 O ATOM 0 H GLU A 65 5.700 -6.216 -6.767 1.00 0.00 H new ATOM 0 HA GLU A 65 6.503 -8.815 -6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.372 -7.218 -9.086 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.425 -8.968 -9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.255 -8.372 -6.575 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.647 -7.060 -7.565 1.00 0.00 H new ATOM 1102 N GLU A 66 8.387 -6.993 -8.709 1.00 0.00 N ATOM 1103 CA GLU A 66 9.624 -6.978 -9.471 1.00 0.00 C ATOM 1104 C GLU A 66 10.793 -7.429 -8.594 1.00 0.00 C ATOM 1105 O GLU A 66 11.685 -8.138 -9.058 1.00 0.00 O ATOM 1106 CB GLU A 66 9.886 -5.592 -10.064 1.00 0.00 C ATOM 1107 CG GLU A 66 9.018 -5.352 -11.300 1.00 0.00 C ATOM 1108 CD GLU A 66 9.875 -4.958 -12.505 1.00 0.00 C ATOM 1109 OE1 GLU A 66 10.654 -5.826 -12.955 1.00 0.00 O ATOM 1110 OE2 GLU A 66 9.733 -3.797 -12.947 1.00 0.00 O ATOM 0 H GLU A 66 7.963 -6.076 -8.565 1.00 0.00 H new ATOM 0 HA GLU A 66 9.526 -7.679 -10.300 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.679 -4.827 -9.316 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.939 -5.500 -10.331 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.452 -6.254 -11.532 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.293 -4.565 -11.092 1.00 0.00 H new ATOM 1117 N ASP A 67 10.752 -6.999 -7.341 1.00 0.00 N ATOM 1118 CA ASP A 67 11.797 -7.350 -6.395 1.00 0.00 C ATOM 1119 C ASP A 67 11.703 -8.841 -6.067 1.00 0.00 C ATOM 1120 O ASP A 67 12.698 -9.561 -6.141 1.00 0.00 O ATOM 1121 CB ASP A 67 11.643 -6.568 -5.089 1.00 0.00 C ATOM 1122 CG ASP A 67 12.956 -6.216 -4.386 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.417 -7.062 -3.589 1.00 0.00 O ATOM 1124 OD2 ASP A 67 13.468 -5.110 -4.662 1.00 0.00 O ATOM 0 H ASP A 67 10.011 -6.411 -6.959 1.00 0.00 H new ATOM 0 HA ASP A 67 12.758 -7.108 -6.849 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.102 -5.645 -5.298 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.027 -7.151 -4.405 1.00 0.00 H new ATOM 1129 N ARG A 68 10.498 -9.261 -5.710 1.00 0.00 N ATOM 1130 CA ARG A 68 10.261 -10.654 -5.371 1.00 0.00 C ATOM 1131 C ARG A 68 10.633 -11.558 -6.547 1.00 0.00 C ATOM 1132 O ARG A 68 11.544 -12.378 -6.441 1.00 0.00 O ATOM 1133 CB ARG A 68 8.795 -10.889 -5.000 1.00 0.00 C ATOM 1134 CG ARG A 68 8.481 -10.318 -3.616 1.00 0.00 C ATOM 1135 CD ARG A 68 7.442 -11.175 -2.892 1.00 0.00 C ATOM 1136 NE ARG A 68 8.050 -12.455 -2.464 1.00 0.00 N ATOM 1137 CZ ARG A 68 7.392 -13.414 -1.799 1.00 0.00 C ATOM 1138 NH1 ARG A 68 6.101 -13.245 -1.482 1.00 0.00 N ATOM 1139 NH2 ARG A 68 8.025 -14.543 -1.451 1.00 0.00 N ATOM 0 H ARG A 68 9.675 -8.661 -5.648 1.00 0.00 H new ATOM 0 HA ARG A 68 10.885 -10.896 -4.511 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.149 -10.424 -5.744 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.579 -11.957 -5.014 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.394 -10.269 -3.023 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.111 -9.298 -3.715 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.056 -10.638 -2.025 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.595 -11.368 -3.550 1.00 0.00 H new ATOM 0 HE ARG A 68 9.031 -12.617 -2.690 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.619 -12.386 -1.747 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.600 -13.975 -0.976 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.008 -14.672 -1.692 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.524 -15.273 -0.945 1.00 0.00 H new ATOM 1153 N ILE A 69 9.910 -11.378 -7.643 1.00 0.00 N ATOM 1154 CA ILE A 69 10.153 -12.167 -8.838 1.00 0.00 C ATOM 1155 C ILE A 69 11.656 -12.410 -8.987 1.00 0.00 C ATOM 1156 O ILE A 69 12.128 -13.532 -8.814 1.00 0.00 O ATOM 1157 CB ILE A 69 9.513 -11.502 -10.059 1.00 0.00 C ATOM 1158 CG1 ILE A 69 7.986 -11.545 -9.970 1.00 0.00 C ATOM 1159 CG2 ILE A 69 10.030 -12.126 -11.357 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.349 -10.659 -11.042 1.00 0.00 C ATOM 0 H ILE A 69 9.156 -10.697 -7.728 1.00 0.00 H new ATOM 0 HA ILE A 69 9.679 -13.145 -8.752 1.00 0.00 H new ATOM 0 HB ILE A 69 9.805 -10.452 -10.068 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.640 -12.572 -10.089 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.666 -11.213 -8.982 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.560 -11.635 -12.209 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.111 -11.999 -11.416 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.788 -13.189 -11.371 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.263 -10.708 -10.956 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.678 -9.629 -10.905 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.651 -11.008 -12.029 1.00 0.00 H new ATOM 1172 N ILE A 70 12.367 -11.338 -9.307 1.00 0.00 N ATOM 1173 CA ILE A 70 13.807 -11.420 -9.481 1.00 0.00 C ATOM 1174 C ILE A 70 14.421 -12.145 -8.282 1.00 0.00 C ATOM 1175 O ILE A 70 15.183 -13.096 -8.450 1.00 0.00 O ATOM 1176 CB ILE A 70 14.397 -10.030 -9.728 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.711 -9.345 -10.911 1.00 0.00 C ATOM 1178 CG2 ILE A 70 15.915 -10.103 -9.909 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.385 -8.011 -11.239 1.00 0.00 C ATOM 0 H ILE A 70 11.972 -10.408 -9.450 1.00 0.00 H new ATOM 0 HA ILE A 70 14.051 -12.006 -10.367 1.00 0.00 H new ATOM 0 HB ILE A 70 14.207 -9.417 -8.847 1.00 0.00 H new ATOM 0 HG12 ILE A 70 13.745 -9.998 -11.783 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.659 -9.178 -10.679 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.309 -9.102 -10.083 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.369 -10.521 -9.010 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.149 -10.739 -10.763 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.878 -7.545 -12.084 1.00 0.00 H new ATOM 0 HD12 ILE A 70 14.328 -7.352 -10.373 1.00 0.00 H new ATOM 0 HD13 ILE A 70 15.430 -8.185 -11.494 1.00 0.00 H new ATOM 1191 N PHE A 71 14.066 -11.668 -7.098 1.00 0.00 N ATOM 1192 CA PHE A 71 14.573 -12.259 -5.871 1.00 0.00 C ATOM 1193 C PHE A 71 14.285 -13.761 -5.826 1.00 0.00 C ATOM 1194 O PHE A 71 14.969 -14.507 -5.126 1.00 0.00 O ATOM 1195 CB PHE A 71 13.843 -11.577 -4.712 1.00 0.00 C ATOM 1196 CG PHE A 71 13.861 -12.378 -3.408 1.00 0.00 C ATOM 1197 CD1 PHE A 71 15.044 -12.657 -2.798 1.00 0.00 C ATOM 1198 CD2 PHE A 71 12.694 -12.810 -2.859 1.00 0.00 C ATOM 1199 CE1 PHE A 71 15.061 -13.400 -1.588 1.00 0.00 C ATOM 1200 CE2 PHE A 71 12.711 -13.553 -1.649 1.00 0.00 C ATOM 1201 CZ PHE A 71 13.894 -13.833 -1.039 1.00 0.00 C ATOM 0 H PHE A 71 13.434 -10.879 -6.962 1.00 0.00 H new ATOM 0 HA PHE A 71 15.653 -12.121 -5.810 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.297 -10.602 -4.534 1.00 0.00 H new ATOM 0 HB3 PHE A 71 12.808 -11.399 -5.003 1.00 0.00 H new ATOM 0 HD1 PHE A 71 15.971 -12.313 -3.234 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.755 -12.588 -3.343 1.00 0.00 H new ATOM 0 HE1 PHE A 71 16.000 -13.621 -1.103 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.784 -13.896 -1.213 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.907 -14.399 -0.119 1.00 0.00 H new ATOM 1211 N GLU A 72 13.273 -14.160 -6.582 1.00 0.00 N ATOM 1212 CA GLU A 72 12.886 -15.560 -6.637 1.00 0.00 C ATOM 1213 C GLU A 72 13.146 -16.127 -8.034 1.00 0.00 C ATOM 1214 O GLU A 72 12.699 -17.227 -8.354 1.00 0.00 O ATOM 1215 CB GLU A 72 11.421 -15.740 -6.236 1.00 0.00 C ATOM 1216 CG GLU A 72 10.486 -15.156 -7.297 1.00 0.00 C ATOM 1217 CD GLU A 72 9.116 -15.836 -7.254 1.00 0.00 C ATOM 1218 OE1 GLU A 72 9.099 -17.063 -7.017 1.00 0.00 O ATOM 1219 OE2 GLU A 72 8.117 -15.113 -7.460 1.00 0.00 O ATOM 0 H GLU A 72 12.709 -13.539 -7.162 1.00 0.00 H new ATOM 0 HA GLU A 72 13.494 -16.114 -5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.205 -16.800 -6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.240 -15.252 -5.278 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.369 -14.085 -7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.928 -15.282 -8.285 1.00 0.00 H new ATOM 1226 N ALA A 73 13.869 -15.351 -8.828 1.00 0.00 N ATOM 1227 CA ALA A 73 14.194 -15.763 -10.183 1.00 0.00 C ATOM 1228 C ALA A 73 15.674 -16.143 -10.255 1.00 0.00 C ATOM 1229 O ALA A 73 16.080 -16.912 -11.124 1.00 0.00 O ATOM 1230 CB ALA A 73 13.832 -14.641 -11.158 1.00 0.00 C ATOM 0 H ALA A 73 14.239 -14.439 -8.559 1.00 0.00 H new ATOM 0 HA ALA A 73 13.614 -16.641 -10.467 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.076 -14.950 -12.175 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.765 -14.429 -11.089 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.397 -13.744 -10.906 1.00 0.00 H new ATOM 1236 N HIS A 74 16.441 -15.586 -9.329 1.00 0.00 N ATOM 1237 CA HIS A 74 17.868 -15.857 -9.276 1.00 0.00 C ATOM 1238 C HIS A 74 18.103 -17.256 -8.703 1.00 0.00 C ATOM 1239 O HIS A 74 19.198 -17.804 -8.824 1.00 0.00 O ATOM 1240 CB HIS A 74 18.600 -14.764 -8.494 1.00 0.00 C ATOM 1241 CG HIS A 74 20.025 -14.541 -8.938 1.00 0.00 C ATOM 1242 ND1 HIS A 74 21.115 -15.002 -8.220 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.528 -13.903 -10.034 1.00 0.00 C ATOM 1244 CE1 HIS A 74 22.219 -14.651 -8.864 1.00 0.00 C ATOM 1245 NE2 HIS A 74 21.853 -13.969 -9.987 1.00 0.00 N ATOM 0 H HIS A 74 16.101 -14.948 -8.609 1.00 0.00 H new ATOM 0 HA HIS A 74 18.283 -15.841 -10.284 1.00 0.00 H new ATOM 0 HB2 HIS A 74 18.049 -13.829 -8.594 1.00 0.00 H new ATOM 0 HB3 HIS A 74 18.597 -15.025 -7.436 1.00 0.00 H new ATOM 0 HD2 HIS A 74 19.947 -13.425 -10.809 1.00 0.00 H new ATOM 0 HE1 HIS A 74 23.231 -14.867 -8.554 1.00 0.00 H new ATOM 0 HE2 HIS A 74 22.492 -13.575 -10.677 1.00 0.00 H new ATOM 1253 N LYS A 75 17.059 -17.793 -8.091 1.00 0.00 N ATOM 1254 CA LYS A 75 17.138 -19.118 -7.498 1.00 0.00 C ATOM 1255 C LYS A 75 16.500 -20.135 -8.446 1.00 0.00 C ATOM 1256 O LYS A 75 16.262 -21.280 -8.065 1.00 0.00 O ATOM 1257 CB LYS A 75 16.526 -19.115 -6.096 1.00 0.00 C ATOM 1258 CG LYS A 75 14.998 -19.083 -6.165 1.00 0.00 C ATOM 1259 CD LYS A 75 14.395 -18.708 -4.810 1.00 0.00 C ATOM 1260 CE LYS A 75 13.781 -19.931 -4.126 1.00 0.00 C ATOM 1261 NZ LYS A 75 12.306 -19.811 -4.076 1.00 0.00 N ATOM 0 H LYS A 75 16.153 -17.335 -7.992 1.00 0.00 H new ATOM 0 HA LYS A 75 18.178 -19.415 -7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.851 -20.002 -5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 75 16.887 -18.250 -5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.680 -18.364 -6.920 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.624 -20.059 -6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.167 -18.279 -4.171 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.632 -17.942 -4.947 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.060 -20.836 -4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.178 -20.028 -3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.905 -20.649 -3.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.045 -18.958 -3.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.930 -19.741 -5.043 1.00 0.00 H new ATOM 1275 N VAL A 76 16.241 -19.680 -9.664 1.00 0.00 N ATOM 1276 CA VAL A 76 15.635 -20.536 -10.669 1.00 0.00 C ATOM 1277 C VAL A 76 16.653 -20.812 -11.778 1.00 0.00 C ATOM 1278 O VAL A 76 16.621 -21.870 -12.405 1.00 0.00 O ATOM 1279 CB VAL A 76 14.343 -19.901 -11.188 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.368 -20.970 -11.686 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.695 -19.024 -10.115 1.00 0.00 C ATOM 0 H VAL A 76 16.440 -18.730 -9.977 1.00 0.00 H new ATOM 0 HA VAL A 76 15.357 -21.497 -10.235 1.00 0.00 H new ATOM 0 HB VAL A 76 14.599 -19.262 -12.033 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.458 -20.492 -12.049 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.830 -21.534 -12.496 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.121 -21.646 -10.868 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.779 -18.584 -10.509 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.459 -19.632 -9.242 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.385 -18.230 -9.829 1.00 0.00 H new ATOM 1291 N LEU A 77 17.531 -19.842 -11.987 1.00 0.00 N ATOM 1292 CA LEU A 77 18.556 -19.967 -13.009 1.00 0.00 C ATOM 1293 C LEU A 77 19.910 -19.568 -12.419 1.00 0.00 C ATOM 1294 O LEU A 77 20.759 -20.422 -12.171 1.00 0.00 O ATOM 1295 CB LEU A 77 18.169 -19.170 -14.256 1.00 0.00 C ATOM 1296 CG LEU A 77 16.669 -19.035 -14.527 1.00 0.00 C ATOM 1297 CD1 LEU A 77 16.194 -17.602 -14.278 1.00 0.00 C ATOM 1298 CD2 LEU A 77 16.321 -19.517 -15.937 1.00 0.00 C ATOM 0 H LEU A 77 17.554 -18.966 -11.466 1.00 0.00 H new ATOM 0 HA LEU A 77 18.644 -21.003 -13.336 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.594 -18.170 -14.170 1.00 0.00 H new ATOM 0 HB3 LEU A 77 18.634 -19.641 -15.122 1.00 0.00 H new ATOM 0 HG LEU A 77 16.136 -19.678 -13.826 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.125 -17.533 -14.478 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.388 -17.330 -13.240 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.731 -16.921 -14.938 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.249 -19.410 -16.104 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.863 -18.920 -16.670 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.602 -20.565 -16.043 1.00 0.00 H new ATOM 1310 N GLY A 78 20.069 -18.269 -12.212 1.00 0.00 N ATOM 1311 CA GLY A 78 21.305 -17.746 -11.656 1.00 0.00 C ATOM 1312 C GLY A 78 21.475 -16.264 -11.996 1.00 0.00 C ATOM 1313 O GLY A 78 20.575 -15.460 -11.754 1.00 0.00 O ATOM 0 H GLY A 78 19.362 -17.563 -12.419 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.305 -17.877 -10.574 1.00 0.00 H new ATOM 0 HA3 GLY A 78 22.151 -18.312 -12.046 1.00 0.00 H new ATOM 1317 N ASN A 79 22.635 -15.946 -12.552 1.00 0.00 N ATOM 1318 CA ASN A 79 22.934 -14.575 -12.928 1.00 0.00 C ATOM 1319 C ASN A 79 22.452 -14.326 -14.358 1.00 0.00 C ATOM 1320 O ASN A 79 22.960 -13.439 -15.043 1.00 0.00 O ATOM 1321 CB ASN A 79 24.440 -14.308 -12.883 1.00 0.00 C ATOM 1322 CG ASN A 79 25.222 -15.608 -12.685 1.00 0.00 C ATOM 1323 OD1 ASN A 79 25.168 -16.524 -13.490 1.00 0.00 O ATOM 1324 ND2 ASN A 79 25.949 -15.638 -11.572 1.00 0.00 N ATOM 0 H ASN A 79 23.379 -16.615 -12.751 1.00 0.00 H new ATOM 0 HA ASN A 79 22.429 -13.914 -12.223 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.755 -13.827 -13.809 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.666 -13.616 -12.072 1.00 0.00 H new ATOM 0 HD21 ASN A 79 26.507 -16.463 -11.349 1.00 0.00 H new ATOM 0 HD22 ASN A 79 25.949 -14.836 -10.941 1.00 0.00 H new ATOM 1331 N ARG A 80 21.477 -15.124 -14.767 1.00 0.00 N ATOM 1332 CA ARG A 80 20.920 -15.001 -16.104 1.00 0.00 C ATOM 1333 C ARG A 80 20.067 -13.735 -16.209 1.00 0.00 C ATOM 1334 O ARG A 80 18.906 -13.797 -16.610 1.00 0.00 O ATOM 1335 CB ARG A 80 20.062 -16.217 -16.457 1.00 0.00 C ATOM 1336 CG ARG A 80 20.849 -17.216 -17.307 1.00 0.00 C ATOM 1337 CD ARG A 80 21.031 -18.543 -16.567 1.00 0.00 C ATOM 1338 NE ARG A 80 20.997 -19.667 -17.529 1.00 0.00 N ATOM 1339 CZ ARG A 80 21.547 -20.868 -17.301 1.00 0.00 C ATOM 1340 NH1 ARG A 80 22.177 -21.107 -16.143 1.00 0.00 N ATOM 1341 NH2 ARG A 80 21.468 -21.829 -18.231 1.00 0.00 N ATOM 0 H ARG A 80 21.058 -15.858 -14.196 1.00 0.00 H new ATOM 0 HA ARG A 80 21.752 -14.942 -16.806 1.00 0.00 H new ATOM 0 HB2 ARG A 80 19.720 -16.702 -15.543 1.00 0.00 H new ATOM 0 HB3 ARG A 80 19.173 -15.894 -16.999 1.00 0.00 H new ATOM 0 HG2 ARG A 80 20.327 -17.389 -18.248 1.00 0.00 H new ATOM 0 HG3 ARG A 80 21.824 -16.798 -17.556 1.00 0.00 H new ATOM 0 HD2 ARG A 80 21.979 -18.542 -16.029 1.00 0.00 H new ATOM 0 HD3 ARG A 80 20.243 -18.666 -15.824 1.00 0.00 H new ATOM 0 HE ARG A 80 20.526 -19.519 -18.421 1.00 0.00 H new ATOM 0 HH11 ARG A 80 22.238 -20.375 -15.435 1.00 0.00 H new ATOM 0 HH12 ARG A 80 22.596 -22.021 -15.969 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.989 -21.647 -19.113 1.00 0.00 H new ATOM 0 HH22 ARG A 80 21.887 -22.743 -18.057 1.00 0.00 H new ATOM 1355 N TRP A 81 20.676 -12.617 -15.842 1.00 0.00 N ATOM 1356 CA TRP A 81 19.987 -11.339 -15.890 1.00 0.00 C ATOM 1357 C TRP A 81 19.303 -11.222 -17.254 1.00 0.00 C ATOM 1358 O TRP A 81 18.223 -10.643 -17.363 1.00 0.00 O ATOM 1359 CB TRP A 81 20.950 -10.186 -15.603 1.00 0.00 C ATOM 1360 CG TRP A 81 21.983 -10.493 -14.517 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.317 -10.528 -14.634 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.710 -10.809 -13.135 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.922 -10.843 -13.433 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.913 -11.019 -12.493 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.486 -10.914 -12.451 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 23.011 -11.346 -11.136 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.601 -11.242 -11.095 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.805 -11.456 -10.434 1.00 0.00 C ATOM 0 H TRP A 81 21.639 -12.570 -15.510 1.00 0.00 H new ATOM 0 HA TRP A 81 19.225 -11.282 -15.112 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.472 -9.925 -16.523 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.373 -9.310 -15.304 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.852 -10.334 -15.552 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.925 -10.930 -13.266 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.533 -10.754 -12.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.965 -11.505 -10.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.690 -11.335 -10.522 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.810 -11.706 -9.383 1.00 0.00 H new ATOM 1379 N ALA A 82 19.961 -11.780 -18.260 1.00 0.00 N ATOM 1380 CA ALA A 82 19.430 -11.745 -19.612 1.00 0.00 C ATOM 1381 C ALA A 82 18.023 -12.347 -19.619 1.00 0.00 C ATOM 1382 O ALA A 82 17.168 -11.926 -20.396 1.00 0.00 O ATOM 1383 CB ALA A 82 20.384 -12.482 -20.554 1.00 0.00 C ATOM 0 H ALA A 82 20.857 -12.259 -18.166 1.00 0.00 H new ATOM 0 HA ALA A 82 19.350 -10.717 -19.967 1.00 0.00 H new ATOM 0 HB1 ALA A 82 19.986 -12.456 -21.568 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.360 -11.998 -20.535 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.486 -13.518 -20.231 1.00 0.00 H new ATOM 1389 N GLU A 83 17.827 -13.321 -18.743 1.00 0.00 N ATOM 1390 CA GLU A 83 16.538 -13.985 -18.638 1.00 0.00 C ATOM 1391 C GLU A 83 15.772 -13.466 -17.420 1.00 0.00 C ATOM 1392 O GLU A 83 14.552 -13.316 -17.468 1.00 0.00 O ATOM 1393 CB GLU A 83 16.708 -15.504 -18.573 1.00 0.00 C ATOM 1394 CG GLU A 83 16.711 -15.994 -17.124 1.00 0.00 C ATOM 1395 CD GLU A 83 15.288 -16.072 -16.568 1.00 0.00 C ATOM 1396 OE1 GLU A 83 14.438 -16.668 -17.265 1.00 0.00 O ATOM 1397 OE2 GLU A 83 15.081 -15.533 -15.459 1.00 0.00 O ATOM 0 H GLU A 83 18.539 -13.667 -18.099 1.00 0.00 H new ATOM 0 HA GLU A 83 15.958 -13.755 -19.532 1.00 0.00 H new ATOM 0 HB2 GLU A 83 15.900 -15.988 -19.122 1.00 0.00 H new ATOM 0 HB3 GLU A 83 17.641 -15.790 -19.059 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.181 -16.976 -17.070 1.00 0.00 H new ATOM 0 HG3 GLU A 83 17.309 -15.320 -16.510 1.00 0.00 H new ATOM 1404 N ILE A 84 16.519 -13.205 -16.358 1.00 0.00 N ATOM 1405 CA ILE A 84 15.925 -12.706 -15.129 1.00 0.00 C ATOM 1406 C ILE A 84 15.104 -11.452 -15.438 1.00 0.00 C ATOM 1407 O ILE A 84 13.966 -11.325 -14.988 1.00 0.00 O ATOM 1408 CB ILE A 84 17.000 -12.490 -14.063 1.00 0.00 C ATOM 1409 CG1 ILE A 84 16.819 -13.464 -12.896 1.00 0.00 C ATOM 1410 CG2 ILE A 84 17.024 -11.034 -13.596 1.00 0.00 C ATOM 1411 CD1 ILE A 84 17.789 -14.641 -13.009 1.00 0.00 C ATOM 0 H ILE A 84 17.531 -13.330 -16.323 1.00 0.00 H new ATOM 0 HA ILE A 84 15.239 -13.442 -14.711 1.00 0.00 H new ATOM 0 HB ILE A 84 17.972 -12.701 -14.510 1.00 0.00 H new ATOM 0 HG12 ILE A 84 16.983 -12.942 -11.953 1.00 0.00 H new ATOM 0 HG13 ILE A 84 15.794 -13.833 -12.882 1.00 0.00 H new ATOM 0 HG21 ILE A 84 17.797 -10.908 -12.838 1.00 0.00 H new ATOM 0 HG22 ILE A 84 17.237 -10.383 -14.444 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.055 -10.772 -13.172 1.00 0.00 H new ATOM 0 HD11 ILE A 84 17.640 -15.318 -12.168 1.00 0.00 H new ATOM 0 HD12 ILE A 84 17.606 -15.175 -13.941 1.00 0.00 H new ATOM 0 HD13 ILE A 84 18.814 -14.270 -12.999 1.00 0.00 H new ATOM 1423 N ALA A 85 15.713 -10.558 -16.202 1.00 0.00 N ATOM 1424 CA ALA A 85 15.053 -9.319 -16.576 1.00 0.00 C ATOM 1425 C ALA A 85 13.987 -9.613 -17.634 1.00 0.00 C ATOM 1426 O ALA A 85 12.893 -9.053 -17.589 1.00 0.00 O ATOM 1427 CB ALA A 85 16.096 -8.312 -17.064 1.00 0.00 C ATOM 0 H ALA A 85 16.657 -10.667 -16.573 1.00 0.00 H new ATOM 0 HA ALA A 85 14.551 -8.877 -15.716 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.601 -7.382 -17.345 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.813 -8.115 -16.267 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.619 -8.720 -17.929 1.00 0.00 H new ATOM 1433 N LYS A 86 14.344 -10.490 -18.560 1.00 0.00 N ATOM 1434 CA LYS A 86 13.432 -10.865 -19.627 1.00 0.00 C ATOM 1435 C LYS A 86 12.248 -11.631 -19.034 1.00 0.00 C ATOM 1436 O LYS A 86 12.116 -12.836 -19.244 1.00 0.00 O ATOM 1437 CB LYS A 86 14.175 -11.632 -20.722 1.00 0.00 C ATOM 1438 CG LYS A 86 14.720 -10.678 -21.787 1.00 0.00 C ATOM 1439 CD LYS A 86 14.858 -11.385 -23.137 1.00 0.00 C ATOM 1440 CE LYS A 86 16.319 -11.418 -23.592 1.00 0.00 C ATOM 1441 NZ LYS A 86 16.877 -12.781 -23.443 1.00 0.00 N ATOM 0 H LYS A 86 15.253 -10.952 -18.594 1.00 0.00 H new ATOM 0 HA LYS A 86 13.027 -9.977 -20.112 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.996 -12.198 -20.281 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.503 -12.354 -21.185 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.054 -9.821 -21.888 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.690 -10.293 -21.473 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.474 -12.402 -23.060 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.252 -10.872 -23.884 1.00 0.00 H new ATOM 0 HE2 LYS A 86 16.389 -11.101 -24.633 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.905 -10.712 -23.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 17.747 -12.864 -24.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 17.095 -12.959 -22.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 16.181 -13.479 -23.775 1.00 0.00 H new ATOM 1455 N LEU A 87 11.417 -10.901 -18.306 1.00 0.00 N ATOM 1456 CA LEU A 87 10.248 -11.496 -17.681 1.00 0.00 C ATOM 1457 C LEU A 87 9.304 -10.387 -17.213 1.00 0.00 C ATOM 1458 O LEU A 87 8.090 -10.486 -17.387 1.00 0.00 O ATOM 1459 CB LEU A 87 10.667 -12.458 -16.567 1.00 0.00 C ATOM 1460 CG LEU A 87 9.662 -12.646 -15.429 1.00 0.00 C ATOM 1461 CD1 LEU A 87 8.499 -13.539 -15.867 1.00 0.00 C ATOM 1462 CD2 LEU A 87 10.350 -13.178 -14.171 1.00 0.00 C ATOM 0 H LEU A 87 11.530 -9.902 -18.135 1.00 0.00 H new ATOM 0 HA LEU A 87 9.697 -12.100 -18.402 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.868 -13.432 -17.012 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.605 -12.103 -16.141 1.00 0.00 H new ATOM 0 HG LEU A 87 9.244 -11.671 -15.179 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.799 -13.657 -15.040 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.987 -13.081 -16.713 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.881 -14.517 -16.160 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.613 -13.302 -13.378 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.814 -14.140 -14.389 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.115 -12.471 -13.848 1.00 0.00 H new ATOM 1474 N LEU A 88 9.897 -9.357 -16.628 1.00 0.00 N ATOM 1475 CA LEU A 88 9.124 -8.230 -16.133 1.00 0.00 C ATOM 1476 C LEU A 88 9.196 -7.085 -17.145 1.00 0.00 C ATOM 1477 O LEU A 88 10.224 -6.885 -17.790 1.00 0.00 O ATOM 1478 CB LEU A 88 9.586 -7.839 -14.728 1.00 0.00 C ATOM 1479 CG LEU A 88 9.783 -8.992 -13.742 1.00 0.00 C ATOM 1480 CD1 LEU A 88 8.562 -9.914 -13.724 1.00 0.00 C ATOM 1481 CD2 LEU A 88 11.074 -9.757 -14.044 1.00 0.00 C ATOM 0 H LEU A 88 10.904 -9.279 -16.485 1.00 0.00 H new ATOM 0 HA LEU A 88 8.073 -8.503 -16.033 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.527 -7.296 -14.814 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.857 -7.147 -14.307 1.00 0.00 H new ATOM 0 HG LEU A 88 9.883 -8.572 -12.741 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.729 -10.725 -13.015 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.681 -9.346 -13.425 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.405 -10.329 -14.719 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.190 -10.571 -13.329 1.00 0.00 H new ATOM 0 HD22 LEU A 88 11.028 -10.165 -15.054 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.925 -9.080 -13.965 1.00 0.00 H new ATOM 1493 N PRO A 89 8.061 -6.344 -17.256 1.00 0.00 N ATOM 1494 CA PRO A 89 7.986 -5.223 -18.178 1.00 0.00 C ATOM 1495 C PRO A 89 8.762 -4.018 -17.642 1.00 0.00 C ATOM 1496 O PRO A 89 8.194 -3.160 -16.969 1.00 0.00 O ATOM 1497 CB PRO A 89 6.500 -4.948 -18.342 1.00 0.00 C ATOM 1498 CG PRO A 89 5.820 -5.613 -17.157 1.00 0.00 C ATOM 1499 CD PRO A 89 6.824 -6.551 -16.509 1.00 0.00 C ATOM 0 HA PRO A 89 8.446 -5.440 -19.142 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.300 -3.877 -18.356 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.129 -5.354 -19.283 1.00 0.00 H new ATOM 0 HG2 PRO A 89 5.481 -4.864 -16.442 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.938 -6.164 -17.483 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.956 -6.320 -15.452 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.494 -7.588 -16.570 1.00 0.00 H new ATOM 1507 N GLY A 90 10.047 -3.993 -17.961 1.00 0.00 N ATOM 1508 CA GLY A 90 10.907 -2.908 -17.520 1.00 0.00 C ATOM 1509 C GLY A 90 12.252 -3.441 -17.023 1.00 0.00 C ATOM 1510 O GLY A 90 12.319 -4.526 -16.448 1.00 0.00 O ATOM 0 H GLY A 90 10.514 -4.707 -18.520 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.069 -2.211 -18.342 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.415 -2.351 -16.722 1.00 0.00 H new ATOM 1514 N ARG A 91 13.290 -2.653 -17.263 1.00 0.00 N ATOM 1515 CA ARG A 91 14.629 -3.032 -16.847 1.00 0.00 C ATOM 1516 C ARG A 91 15.124 -4.223 -17.671 1.00 0.00 C ATOM 1517 O ARG A 91 14.331 -5.065 -18.090 1.00 0.00 O ATOM 1518 CB ARG A 91 14.662 -3.400 -15.362 1.00 0.00 C ATOM 1519 CG ARG A 91 14.077 -2.274 -14.506 1.00 0.00 C ATOM 1520 CD ARG A 91 15.060 -1.108 -14.389 1.00 0.00 C ATOM 1521 NE ARG A 91 14.431 0.013 -13.655 1.00 0.00 N ATOM 1522 CZ ARG A 91 15.111 1.033 -13.114 1.00 0.00 C ATOM 1523 NH1 ARG A 91 16.446 1.080 -13.222 1.00 0.00 N ATOM 1524 NH2 ARG A 91 14.456 2.006 -12.466 1.00 0.00 N ATOM 0 H ARG A 91 13.230 -1.754 -17.740 1.00 0.00 H new ATOM 0 HA ARG A 91 15.282 -2.175 -17.012 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.097 -4.318 -15.198 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.689 -3.599 -15.055 1.00 0.00 H new ATOM 0 HG2 ARG A 91 13.143 -1.925 -14.947 1.00 0.00 H new ATOM 0 HG3 ARG A 91 13.838 -2.654 -13.513 1.00 0.00 H new ATOM 0 HD2 ARG A 91 15.962 -1.433 -13.870 1.00 0.00 H new ATOM 0 HD3 ARG A 91 15.365 -0.778 -15.382 1.00 0.00 H new ATOM 0 HE ARG A 91 13.416 0.009 -13.555 1.00 0.00 H new ATOM 0 HH11 ARG A 91 16.944 0.339 -13.716 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.964 1.856 -12.810 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.440 1.970 -12.385 1.00 0.00 H new ATOM 0 HH22 ARG A 91 14.974 2.782 -12.054 1.00 0.00 H new ATOM 1538 N THR A 92 16.432 -4.256 -17.878 1.00 0.00 N ATOM 1539 CA THR A 92 17.042 -5.330 -18.645 1.00 0.00 C ATOM 1540 C THR A 92 17.955 -6.171 -17.751 1.00 0.00 C ATOM 1541 O THR A 92 17.694 -6.321 -16.558 1.00 0.00 O ATOM 1542 CB THR A 92 17.767 -4.706 -19.838 1.00 0.00 C ATOM 1543 OG1 THR A 92 18.949 -4.146 -19.272 1.00 0.00 O ATOM 1544 CG2 THR A 92 17.021 -3.500 -20.412 1.00 0.00 C ATOM 0 H THR A 92 17.087 -3.557 -17.528 1.00 0.00 H new ATOM 0 HA THR A 92 16.290 -6.019 -19.028 1.00 0.00 H new ATOM 0 HB THR A 92 17.896 -5.457 -20.617 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.480 -3.721 -19.978 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.579 -3.095 -21.256 1.00 0.00 H new ATOM 0 HG22 THR A 92 16.031 -3.810 -20.746 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.921 -2.734 -19.643 1.00 0.00 H new ATOM 1552 N ASP A 93 19.005 -6.698 -18.362 1.00 0.00 N ATOM 1553 CA ASP A 93 19.959 -7.520 -17.636 1.00 0.00 C ATOM 1554 C ASP A 93 20.900 -6.617 -16.836 1.00 0.00 C ATOM 1555 O ASP A 93 21.091 -6.819 -15.638 1.00 0.00 O ATOM 1556 CB ASP A 93 20.807 -8.356 -18.596 1.00 0.00 C ATOM 1557 CG ASP A 93 21.232 -7.637 -19.877 1.00 0.00 C ATOM 1558 OD1 ASP A 93 20.331 -7.363 -20.699 1.00 0.00 O ATOM 1559 OD2 ASP A 93 22.448 -7.378 -20.007 1.00 0.00 O ATOM 0 H ASP A 93 19.217 -6.572 -19.352 1.00 0.00 H new ATOM 0 HA ASP A 93 19.400 -8.184 -16.977 1.00 0.00 H new ATOM 0 HB2 ASP A 93 21.702 -8.689 -18.070 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.246 -9.250 -18.868 1.00 0.00 H new ATOM 1564 N ASN A 94 21.464 -5.640 -17.532 1.00 0.00 N ATOM 1565 CA ASN A 94 22.381 -4.706 -16.902 1.00 0.00 C ATOM 1566 C ASN A 94 21.650 -3.955 -15.787 1.00 0.00 C ATOM 1567 O ASN A 94 22.281 -3.311 -14.950 1.00 0.00 O ATOM 1568 CB ASN A 94 22.894 -3.675 -17.908 1.00 0.00 C ATOM 1569 CG ASN A 94 24.406 -3.805 -18.105 1.00 0.00 C ATOM 1570 OD1 ASN A 94 25.194 -3.634 -17.189 1.00 0.00 O ATOM 1571 ND2 ASN A 94 24.765 -4.118 -19.347 1.00 0.00 N ATOM 0 H ASN A 94 21.303 -5.475 -18.526 1.00 0.00 H new ATOM 0 HA ASN A 94 23.223 -5.274 -16.507 1.00 0.00 H new ATOM 0 HB2 ASN A 94 22.386 -3.810 -18.863 1.00 0.00 H new ATOM 0 HB3 ASN A 94 22.654 -2.671 -17.559 1.00 0.00 H new ATOM 0 HD21 ASN A 94 25.752 -4.229 -19.580 1.00 0.00 H new ATOM 0 HD22 ASN A 94 24.053 -4.247 -20.066 1.00 0.00 H new ATOM 1578 N ALA A 95 20.330 -4.063 -15.811 1.00 0.00 N ATOM 1579 CA ALA A 95 19.507 -3.402 -14.812 1.00 0.00 C ATOM 1580 C ALA A 95 19.403 -4.292 -13.573 1.00 0.00 C ATOM 1581 O ALA A 95 19.904 -3.939 -12.506 1.00 0.00 O ATOM 1582 CB ALA A 95 18.138 -3.076 -15.413 1.00 0.00 C ATOM 0 H ALA A 95 19.810 -4.598 -16.506 1.00 0.00 H new ATOM 0 HA ALA A 95 19.960 -2.460 -14.503 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.521 -2.580 -14.664 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.265 -2.417 -16.272 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.652 -3.998 -15.732 1.00 0.00 H new ATOM 1588 N VAL A 96 18.749 -5.430 -13.754 1.00 0.00 N ATOM 1589 CA VAL A 96 18.572 -6.374 -12.664 1.00 0.00 C ATOM 1590 C VAL A 96 19.940 -6.731 -12.078 1.00 0.00 C ATOM 1591 O VAL A 96 20.147 -6.633 -10.870 1.00 0.00 O ATOM 1592 CB VAL A 96 17.793 -7.597 -13.151 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.593 -8.607 -12.019 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.452 -7.185 -13.762 1.00 0.00 C ATOM 0 H VAL A 96 18.335 -5.720 -14.640 1.00 0.00 H new ATOM 0 HA VAL A 96 17.981 -5.927 -11.864 1.00 0.00 H new ATOM 0 HB VAL A 96 18.382 -8.081 -13.930 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.036 -9.467 -12.392 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.564 -8.936 -11.649 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.036 -8.139 -11.208 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.918 -8.073 -14.100 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.855 -6.666 -13.012 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.627 -6.522 -14.609 1.00 0.00 H new ATOM 1604 N LYS A 97 20.839 -7.139 -12.963 1.00 0.00 N ATOM 1605 CA LYS A 97 22.181 -7.511 -12.549 1.00 0.00 C ATOM 1606 C LYS A 97 22.644 -6.572 -11.433 1.00 0.00 C ATOM 1607 O LYS A 97 22.898 -7.012 -10.312 1.00 0.00 O ATOM 1608 CB LYS A 97 23.123 -7.546 -13.754 1.00 0.00 C ATOM 1609 CG LYS A 97 24.555 -7.868 -13.321 1.00 0.00 C ATOM 1610 CD LYS A 97 25.460 -8.080 -14.536 1.00 0.00 C ATOM 1611 CE LYS A 97 25.791 -6.748 -15.212 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.227 -6.428 -15.050 1.00 0.00 N ATOM 0 H LYS A 97 20.664 -7.220 -13.965 1.00 0.00 H new ATOM 0 HA LYS A 97 22.187 -8.521 -12.140 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.778 -8.294 -14.468 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.101 -6.584 -14.265 1.00 0.00 H new ATOM 0 HG2 LYS A 97 24.946 -7.055 -12.710 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.558 -8.764 -12.700 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.381 -8.573 -14.226 1.00 0.00 H new ATOM 0 HD3 LYS A 97 24.968 -8.742 -15.249 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.541 -6.799 -16.272 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.184 -5.953 -14.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.435 -5.521 -15.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.455 -6.359 -14.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.801 -7.179 -15.484 1.00 0.00 H new ATOM 1626 N ASN A 98 22.740 -5.297 -11.778 1.00 0.00 N ATOM 1627 CA ASN A 98 23.169 -4.292 -10.819 1.00 0.00 C ATOM 1628 C ASN A 98 22.220 -4.301 -9.619 1.00 0.00 C ATOM 1629 O ASN A 98 22.663 -4.262 -8.472 1.00 0.00 O ATOM 1630 CB ASN A 98 23.137 -2.893 -11.436 1.00 0.00 C ATOM 1631 CG ASN A 98 24.137 -1.965 -10.743 1.00 0.00 C ATOM 1632 OD1 ASN A 98 23.965 -1.566 -9.602 1.00 0.00 O ATOM 1633 ND2 ASN A 98 25.187 -1.645 -11.492 1.00 0.00 N ATOM 0 H ASN A 98 22.528 -4.936 -12.708 1.00 0.00 H new ATOM 0 HA ASN A 98 24.189 -4.529 -10.515 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.370 -2.955 -12.499 1.00 0.00 H new ATOM 0 HB3 ASN A 98 22.133 -2.478 -11.353 1.00 0.00 H new ATOM 0 HD21 ASN A 98 25.911 -1.030 -11.120 1.00 0.00 H new ATOM 0 HD22 ASN A 98 25.269 -2.014 -12.439 1.00 0.00 H new ATOM 1640 N HIS A 99 20.931 -4.353 -9.924 1.00 0.00 N ATOM 1641 CA HIS A 99 19.916 -4.368 -8.885 1.00 0.00 C ATOM 1642 C HIS A 99 20.255 -5.444 -7.852 1.00 0.00 C ATOM 1643 O HIS A 99 19.806 -5.375 -6.709 1.00 0.00 O ATOM 1644 CB HIS A 99 18.522 -4.545 -9.490 1.00 0.00 C ATOM 1645 CG HIS A 99 17.403 -4.498 -8.478 1.00 0.00 C ATOM 1646 ND1 HIS A 99 17.511 -3.829 -7.271 1.00 0.00 N ATOM 1647 CD2 HIS A 99 16.152 -5.043 -8.505 1.00 0.00 C ATOM 1648 CE1 HIS A 99 16.372 -3.973 -6.610 1.00 0.00 C ATOM 1649 NE2 HIS A 99 15.531 -4.725 -7.376 1.00 0.00 N ATOM 0 H HIS A 99 20.567 -4.385 -10.876 1.00 0.00 H new ATOM 0 HA HIS A 99 19.905 -3.408 -8.368 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.358 -3.765 -10.234 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.483 -5.499 -10.015 1.00 0.00 H new ATOM 0 HD2 HIS A 99 15.738 -5.633 -9.309 1.00 0.00 H new ATOM 0 HE1 HIS A 99 16.149 -3.566 -5.635 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.581 -4.998 -7.123 1.00 0.00 H new ATOM 1657 N TRP A 100 21.045 -6.413 -8.291 1.00 0.00 N ATOM 1658 CA TRP A 100 21.449 -7.502 -7.418 1.00 0.00 C ATOM 1659 C TRP A 100 22.360 -6.925 -6.333 1.00 0.00 C ATOM 1660 O TRP A 100 22.122 -7.130 -5.144 1.00 0.00 O ATOM 1661 CB TRP A 100 22.108 -8.628 -8.216 1.00 0.00 C ATOM 1662 CG TRP A 100 21.817 -10.029 -7.674 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.691 -11.012 -7.416 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.523 -10.566 -7.330 1.00 0.00 C ATOM 1665 NE1 TRP A 100 22.057 -12.138 -6.934 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.696 -11.859 -6.880 1.00 0.00 C ATOM 1667 CE3 TRP A 100 19.247 -9.979 -7.398 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.637 -12.674 -6.462 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 18.199 -10.806 -6.977 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.357 -12.110 -6.521 1.00 0.00 C ATOM 0 H TRP A 100 21.416 -6.467 -9.240 1.00 0.00 H new ATOM 0 HA TRP A 100 20.581 -7.955 -6.939 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.769 -8.572 -9.251 1.00 0.00 H new ATOM 0 HB3 TRP A 100 23.186 -8.470 -8.225 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.757 -10.932 -7.567 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.504 -13.015 -6.666 1.00 0.00 H new ATOM 0 HE3 TRP A 100 19.088 -8.970 -7.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 19.799 -13.683 -6.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 17.198 -10.403 -7.009 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.496 -12.685 -6.214 1.00 0.00 H new ATOM 1681 N ASN A 101 23.385 -6.215 -6.782 1.00 0.00 N ATOM 1682 CA ASN A 101 24.333 -5.607 -5.864 1.00 0.00 C ATOM 1683 C ASN A 101 23.780 -4.265 -5.380 1.00 0.00 C ATOM 1684 O ASN A 101 24.422 -3.573 -4.592 1.00 0.00 O ATOM 1685 CB ASN A 101 25.675 -5.344 -6.552 1.00 0.00 C ATOM 1686 CG ASN A 101 26.480 -6.637 -6.695 1.00 0.00 C ATOM 1687 OD1 ASN A 101 26.934 -7.227 -5.728 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.630 -7.044 -7.952 1.00 0.00 N ATOM 0 H ASN A 101 23.579 -6.047 -7.769 1.00 0.00 H new ATOM 0 HA ASN A 101 24.482 -6.294 -5.031 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.504 -4.907 -7.536 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.247 -4.617 -5.976 1.00 0.00 H new ATOM 0 HD21 ASN A 101 27.151 -7.898 -8.153 1.00 0.00 H new ATOM 0 HD22 ASN A 101 26.224 -6.503 -8.715 1.00 0.00 H new ATOM 1695 N SER A 102 22.593 -3.939 -5.872 1.00 0.00 N ATOM 1696 CA SER A 102 21.946 -2.693 -5.499 1.00 0.00 C ATOM 1697 C SER A 102 21.383 -2.799 -4.081 1.00 0.00 C ATOM 1698 O SER A 102 21.953 -2.249 -3.140 1.00 0.00 O ATOM 1699 CB SER A 102 20.834 -2.333 -6.486 1.00 0.00 C ATOM 1700 OG SER A 102 20.185 -1.113 -6.139 1.00 0.00 O ATOM 0 H SER A 102 22.063 -4.516 -6.525 1.00 0.00 H new ATOM 0 HA SER A 102 22.692 -1.899 -5.528 1.00 0.00 H new ATOM 0 HB2 SER A 102 21.253 -2.248 -7.489 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.100 -3.138 -6.514 1.00 0.00 H new ATOM 0 HG SER A 102 19.483 -0.918 -6.795 1.00 0.00 H new ATOM 1706 N THR A 103 20.270 -3.511 -3.972 1.00 0.00 N ATOM 1707 CA THR A 103 19.624 -3.696 -2.684 1.00 0.00 C ATOM 1708 C THR A 103 19.324 -5.178 -2.446 1.00 0.00 C ATOM 1709 O THR A 103 18.919 -5.565 -1.351 1.00 0.00 O ATOM 1710 CB THR A 103 18.377 -2.811 -2.649 1.00 0.00 C ATOM 1711 OG1 THR A 103 18.840 -1.581 -2.098 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.338 -3.303 -1.639 1.00 0.00 C ATOM 0 H THR A 103 19.800 -3.966 -4.754 1.00 0.00 H new ATOM 0 HA THR A 103 20.278 -3.393 -1.866 1.00 0.00 H new ATOM 0 HB THR A 103 17.930 -2.775 -3.642 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.095 -0.947 -2.041 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.473 -2.640 -1.654 1.00 0.00 H new ATOM 0 HG22 THR A 103 17.025 -4.313 -1.902 1.00 0.00 H new ATOM 0 HG23 THR A 103 17.775 -3.307 -0.640 1.00 0.00 H new ATOM 1720 N ILE A 104 19.535 -5.966 -3.490 1.00 0.00 N ATOM 1721 CA ILE A 104 19.292 -7.396 -3.409 1.00 0.00 C ATOM 1722 C ILE A 104 20.618 -8.122 -3.176 1.00 0.00 C ATOM 1723 O ILE A 104 20.848 -9.196 -3.730 1.00 0.00 O ATOM 1724 CB ILE A 104 18.534 -7.882 -4.646 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.300 -7.017 -4.909 1.00 0.00 C ATOM 1726 CG2 ILE A 104 18.179 -9.366 -4.524 1.00 0.00 C ATOM 1727 CD1 ILE A 104 16.982 -6.954 -6.404 1.00 0.00 C ATOM 0 H ILE A 104 19.872 -5.641 -4.396 1.00 0.00 H new ATOM 0 HA ILE A 104 18.649 -7.625 -2.559 1.00 0.00 H new ATOM 0 HB ILE A 104 19.190 -7.778 -5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.445 -7.423 -4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 104 17.469 -6.010 -4.527 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.641 -9.686 -5.416 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.093 -9.951 -4.422 1.00 0.00 H new ATOM 0 HG23 ILE A 104 17.550 -9.519 -3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 104 16.100 -6.333 -6.563 1.00 0.00 H new ATOM 0 HD12 ILE A 104 17.829 -6.525 -6.938 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.789 -7.960 -6.778 1.00 0.00 H new ATOM 1739 N LYS A 105 21.456 -7.506 -2.355 1.00 0.00 N ATOM 1740 CA LYS A 105 22.754 -8.080 -2.041 1.00 0.00 C ATOM 1741 C LYS A 105 22.890 -8.224 -0.524 1.00 0.00 C ATOM 1742 O LYS A 105 23.911 -7.847 0.050 1.00 0.00 O ATOM 1743 CB LYS A 105 23.873 -7.259 -2.684 1.00 0.00 C ATOM 1744 CG LYS A 105 23.434 -5.808 -2.898 1.00 0.00 C ATOM 1745 CD LYS A 105 22.947 -5.184 -1.589 1.00 0.00 C ATOM 1746 CE LYS A 105 24.000 -4.238 -1.008 1.00 0.00 C ATOM 1747 NZ LYS A 105 23.354 -3.053 -0.402 1.00 0.00 N ATOM 0 H LYS A 105 21.262 -6.615 -1.898 1.00 0.00 H new ATOM 0 HA LYS A 105 22.841 -9.080 -2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 105 24.759 -7.285 -2.049 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.152 -7.703 -3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 105 24.267 -5.227 -3.294 1.00 0.00 H new ATOM 0 HG3 LYS A 105 22.637 -5.771 -3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 105 22.020 -4.638 -1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.722 -5.970 -0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 105 24.592 -4.761 -0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 105 24.687 -3.923 -1.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 24.084 -2.413 -0.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 22.795 -2.555 -1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 22.729 -3.356 0.372 1.00 0.00 H new