USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 767 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 9 THR OG1 : rot 96:sc= 1.29 USER MOD Set 1.2: A 46 HIS : no HD1:sc= 0.943 K(o=2.2,f=-4.2!) USER MOD Set 2.1: A 5 LYS NZ :NH3+ -156:sc= 1.28 (180deg=0) USER MOD Set 2.2: A 8 GLN : amide:sc= 1.03 K(o=2.3,f=-6.4!) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.127 F(o=-3.2!,f=-0.13) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -168:sc= 1.13 (180deg=0.427) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.189 K(o=-0.19,f=-0.74) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 45 LYS NZ :NH3+ -140:sc= 1.05 (180deg=0.0853) USER MOD Single : A 48 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.37) USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= -0.0256 (180deg=-0.21) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 67 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.4) USER MOD Single : A 70 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.54) USER MOD Single : A 73 GLN : amide:sc= -0.241 K(o=-0.24,f=-0.77) USER MOD Single : A 81 LYS NZ :NH3+ -173:sc=-0.000856 (180deg=-0.0675) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -73:sc= 0.898 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.0258 F(o=-0.73,f=-0.026) USER MOD Single : A 99 GLN : amide:sc= 0.218 X(o=0.22,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 -4.114 -5.469 -8.453 1.00 0.00 N ATOM 65 CA LYS A 5 -4.473 -4.427 -9.389 1.00 0.00 C ATOM 66 C LYS A 5 -4.463 -4.988 -10.817 1.00 0.00 C ATOM 67 O LYS A 5 -5.313 -4.640 -11.636 1.00 0.00 O ATOM 68 CB LYS A 5 -3.522 -3.233 -9.257 1.00 0.00 C ATOM 69 CG LYS A 5 -4.037 -1.951 -9.904 1.00 0.00 C ATOM 70 CD LYS A 5 -5.280 -1.432 -9.198 1.00 0.00 C ATOM 71 CE LYS A 5 -5.770 -0.131 -9.815 1.00 0.00 C ATOM 72 NZ LYS A 5 -6.983 0.381 -9.131 1.00 0.00 N1+ ATOM 0 HA LYS A 5 -5.479 -4.074 -9.162 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.338 -3.045 -8.199 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.564 -3.494 -9.706 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.257 -1.190 -9.877 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.264 -2.138 -10.954 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.070 -2.181 -9.252 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.061 -1.275 -8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.979 0.617 -9.761 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.988 -0.289 -10.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.514 0.996 -9.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.583 -0.418 -8.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.704 0.925 -8.290 1.00 0.00 H new ATOM 86 N LEU A 6 -3.463 -5.829 -11.113 1.00 0.00 N ATOM 87 CA LEU A 6 -3.385 -6.537 -12.400 1.00 0.00 C ATOM 88 C LEU A 6 -4.696 -7.217 -12.762 1.00 0.00 C ATOM 89 O LEU A 6 -5.223 -6.993 -13.847 1.00 0.00 O ATOM 90 CB LEU A 6 -2.258 -7.583 -12.388 1.00 0.00 C ATOM 91 CG LEU A 6 -0.840 -7.058 -12.628 1.00 0.00 C ATOM 92 CD1 LEU A 6 0.185 -8.150 -12.364 1.00 0.00 C ATOM 93 CD2 LEU A 6 -0.700 -6.549 -14.050 1.00 0.00 C ATOM 0 H LEU A 6 -2.694 -6.037 -10.477 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.172 -5.780 -13.155 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.275 -8.093 -11.425 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.479 -8.332 -13.149 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.658 -6.234 -11.938 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.187 -7.759 -12.540 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.102 -8.484 -11.330 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.001 -8.991 -13.033 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.313 -6.179 -14.206 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.901 -7.361 -14.749 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.411 -5.741 -14.219 1.00 0.00 H new ATOM 105 N ARG A 7 -5.233 -8.031 -11.867 1.00 0.00 N ATOM 106 CA ARG A 7 -6.483 -8.719 -12.167 1.00 0.00 C ATOM 107 C ARG A 7 -7.652 -7.746 -12.270 1.00 0.00 C ATOM 108 O ARG A 7 -8.521 -7.901 -13.125 1.00 0.00 O ATOM 109 CB ARG A 7 -6.772 -9.863 -11.182 1.00 0.00 C ATOM 110 CG ARG A 7 -6.797 -9.475 -9.717 1.00 0.00 C ATOM 111 CD ARG A 7 -7.112 -10.685 -8.859 1.00 0.00 C ATOM 112 NE ARG A 7 -7.138 -10.376 -7.426 1.00 0.00 N ATOM 113 CZ ARG A 7 -8.186 -10.608 -6.628 1.00 0.00 C ATOM 114 NH1 ARG A 7 -9.325 -11.076 -7.133 1.00 0.00 N1+ ATOM 115 NH2 ARG A 7 -8.097 -10.360 -5.327 1.00 0.00 N ATOM 0 H ARG A 7 -4.837 -8.230 -10.948 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.360 -9.179 -13.147 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.735 -10.305 -11.439 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.018 -10.638 -11.321 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.833 -9.056 -9.428 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.544 -8.699 -9.552 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.078 -11.093 -9.155 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.368 -11.460 -9.045 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.305 -9.958 -7.012 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.402 -11.260 -8.133 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.121 -11.251 -6.520 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.230 -9.993 -4.936 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.896 -10.537 -4.718 1.00 0.00 H new ATOM 129 N GLN A 8 -7.651 -6.732 -11.421 1.00 0.00 N ATOM 130 CA GLN A 8 -8.693 -5.710 -11.457 1.00 0.00 C ATOM 131 C GLN A 8 -8.687 -4.968 -12.800 1.00 0.00 C ATOM 132 O GLN A 8 -9.736 -4.767 -13.405 1.00 0.00 O ATOM 133 CB GLN A 8 -8.511 -4.724 -10.304 1.00 0.00 C ATOM 134 CG GLN A 8 -9.609 -3.680 -10.202 1.00 0.00 C ATOM 135 CD GLN A 8 -9.363 -2.693 -9.084 1.00 0.00 C ATOM 136 OE1 GLN A 8 -8.744 -1.652 -9.286 1.00 0.00 O ATOM 137 NE2 GLN A 8 -9.828 -3.018 -7.898 1.00 0.00 N ATOM 0 H GLN A 8 -6.944 -6.591 -10.699 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.658 -6.205 -11.346 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.465 -5.281 -9.368 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.553 -4.218 -10.421 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.685 -3.143 -11.147 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.565 -4.177 -10.040 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.337 -3.893 -7.772 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.679 -2.395 -7.104 1.00 0.00 H new ATOM 146 N THR A 9 -7.503 -4.589 -13.283 1.00 0.00 N ATOM 147 CA THR A 9 -7.394 -3.905 -14.567 1.00 0.00 C ATOM 148 C THR A 9 -7.631 -4.872 -15.722 1.00 0.00 C ATOM 149 O THR A 9 -7.951 -4.460 -16.836 1.00 0.00 O ATOM 150 CB THR A 9 -6.015 -3.222 -14.732 1.00 0.00 C ATOM 151 OG1 THR A 9 -4.964 -4.134 -14.359 1.00 0.00 O ATOM 152 CG2 THR A 9 -5.923 -1.954 -13.887 1.00 0.00 C ATOM 0 H THR A 9 -6.614 -4.744 -12.807 1.00 0.00 H new ATOM 0 HA THR A 9 -8.164 -3.134 -14.586 1.00 0.00 H new ATOM 0 HB THR A 9 -5.900 -2.944 -15.780 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.616 -4.578 -15.161 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.943 -1.496 -14.023 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.698 -1.253 -14.198 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.062 -2.206 -12.836 1.00 0.00 H new ATOM 160 N GLY A 10 -7.485 -6.158 -15.440 1.00 0.00 N ATOM 161 CA GLY A 10 -7.726 -7.164 -16.443 1.00 0.00 C ATOM 162 C GLY A 10 -9.204 -7.339 -16.656 1.00 0.00 C ATOM 163 O GLY A 10 -9.686 -7.328 -17.789 1.00 0.00 O ATOM 0 H GLY A 10 -7.203 -6.520 -14.529 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.247 -6.877 -17.379 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.281 -8.110 -16.135 1.00 0.00 H new ATOM 167 N ASP A 11 -9.926 -7.496 -15.552 1.00 0.00 N ATOM 168 CA ASP A 11 -11.381 -7.594 -15.576 1.00 0.00 C ATOM 169 C ASP A 11 -11.997 -6.373 -16.245 1.00 0.00 C ATOM 170 O ASP A 11 -12.892 -6.497 -17.088 1.00 0.00 O ATOM 171 CB ASP A 11 -11.936 -7.753 -14.154 1.00 0.00 C ATOM 172 CG ASP A 11 -11.865 -9.179 -13.652 1.00 0.00 C ATOM 173 OD1 ASP A 11 -12.517 -10.059 -14.254 1.00 0.00 O ATOM 174 OD2 ASP A 11 -11.180 -9.430 -12.642 1.00 0.00 O1- ATOM 0 H ASP A 11 -9.521 -7.559 -14.618 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.648 -8.477 -16.157 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.378 -7.106 -13.477 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.973 -7.417 -14.134 1.00 0.00 H new ATOM 179 N GLU A 12 -11.502 -5.197 -15.881 1.00 0.00 N ATOM 180 CA GLU A 12 -11.983 -3.953 -16.465 1.00 0.00 C ATOM 181 C GLU A 12 -11.723 -3.907 -17.966 1.00 0.00 C ATOM 182 O GLU A 12 -12.588 -3.479 -18.739 1.00 0.00 O ATOM 183 CB GLU A 12 -11.355 -2.745 -15.775 1.00 0.00 C ATOM 184 CG GLU A 12 -11.867 -2.527 -14.364 1.00 0.00 C ATOM 185 CD GLU A 12 -13.373 -2.391 -14.323 1.00 0.00 C ATOM 186 OE1 GLU A 12 -14.053 -3.354 -13.906 1.00 0.00 O ATOM 187 OE2 GLU A 12 -13.887 -1.325 -14.721 1.00 0.00 O1- ATOM 0 H GLU A 12 -10.767 -5.079 -15.184 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.061 -3.914 -16.309 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.273 -2.874 -15.746 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.554 -1.852 -16.368 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.561 -3.362 -13.734 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.410 -1.629 -13.947 1.00 0.00 H new ATOM 194 N LEU A 13 -10.536 -4.348 -18.377 1.00 0.00 N ATOM 195 CA LEU A 13 -10.181 -4.397 -19.791 1.00 0.00 C ATOM 196 C LEU A 13 -11.124 -5.322 -20.553 1.00 0.00 C ATOM 197 O LEU A 13 -11.568 -4.992 -21.645 1.00 0.00 O ATOM 198 CB LEU A 13 -8.725 -4.860 -19.956 1.00 0.00 C ATOM 199 CG LEU A 13 -8.204 -4.969 -21.395 1.00 0.00 C ATOM 200 CD1 LEU A 13 -8.266 -3.622 -22.098 1.00 0.00 C ATOM 201 CD2 LEU A 13 -6.781 -5.507 -21.402 1.00 0.00 C ATOM 0 H LEU A 13 -9.803 -4.677 -17.748 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.279 -3.394 -20.207 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.082 -4.168 -19.411 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.620 -5.835 -19.480 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.844 -5.664 -21.938 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.891 -3.725 -23.116 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.298 -3.273 -22.125 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.653 -2.901 -21.557 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.424 -5.579 -22.429 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.134 -4.833 -20.840 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.763 -6.495 -20.942 1.00 0.00 H new ATOM 213 N VAL A 14 -11.440 -6.467 -19.961 1.00 0.00 N ATOM 214 CA VAL A 14 -12.365 -7.418 -20.575 1.00 0.00 C ATOM 215 C VAL A 14 -13.741 -6.787 -20.751 1.00 0.00 C ATOM 216 O VAL A 14 -14.343 -6.876 -21.819 1.00 0.00 O ATOM 217 CB VAL A 14 -12.502 -8.700 -19.724 1.00 0.00 C ATOM 218 CG1 VAL A 14 -13.558 -9.634 -20.310 1.00 0.00 C ATOM 219 CG2 VAL A 14 -11.165 -9.409 -19.619 1.00 0.00 C ATOM 0 H VAL A 14 -11.071 -6.762 -19.057 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.956 -7.685 -21.549 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.824 -8.412 -18.723 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.635 -10.529 -19.693 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.522 -9.125 -20.333 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.272 -9.916 -21.323 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.277 -10.310 -19.016 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.818 -9.680 -20.616 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.438 -8.747 -19.149 1.00 0.00 H new ATOM 229 N GLN A 15 -14.223 -6.147 -19.697 1.00 0.00 N ATOM 230 CA GLN A 15 -15.504 -5.490 -19.721 1.00 0.00 C ATOM 231 C GLN A 15 -15.562 -4.427 -20.827 1.00 0.00 C ATOM 232 O GLN A 15 -16.538 -4.354 -21.577 1.00 0.00 O ATOM 233 CB GLN A 15 -15.783 -4.869 -18.357 1.00 0.00 C ATOM 234 CG GLN A 15 -17.085 -4.110 -18.275 1.00 0.00 C ATOM 235 CD GLN A 15 -18.316 -4.996 -18.060 1.00 0.00 C ATOM 236 OE1 GLN A 15 -18.260 -6.241 -18.500 1.00 0.00 O flip ATOM 237 NE2 GLN A 15 -19.307 -4.554 -17.484 1.00 0.00 N flip ATOM 0 H GLN A 15 -13.732 -6.073 -18.806 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.273 -6.230 -19.941 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -15.788 -5.659 -17.606 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -14.966 -4.194 -18.104 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -17.022 -3.390 -17.459 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -17.218 -3.539 -19.194 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -19.318 -3.588 -17.157 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -20.119 -5.153 -17.333 1.00 0.00 H new ATOM 246 N ALA A 16 -14.514 -3.624 -20.935 1.00 0.00 N ATOM 247 CA ALA A 16 -14.448 -2.596 -21.966 1.00 0.00 C ATOM 248 C ALA A 16 -14.301 -3.227 -23.354 1.00 0.00 C ATOM 249 O ALA A 16 -14.863 -2.739 -24.333 1.00 0.00 O ATOM 250 CB ALA A 16 -13.303 -1.637 -21.682 1.00 0.00 C ATOM 0 H ALA A 16 -13.699 -3.663 -20.323 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.380 -2.032 -21.952 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.266 -0.875 -22.460 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.459 -1.161 -20.714 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.362 -2.187 -21.668 1.00 0.00 H new ATOM 256 N PHE A 17 -13.550 -4.319 -23.421 1.00 0.00 N ATOM 257 CA PHE A 17 -13.346 -5.048 -24.671 1.00 0.00 C ATOM 258 C PHE A 17 -14.668 -5.636 -25.162 1.00 0.00 C ATOM 259 O PHE A 17 -14.957 -5.639 -26.358 1.00 0.00 O ATOM 260 CB PHE A 17 -12.298 -6.151 -24.488 1.00 0.00 C ATOM 261 CG PHE A 17 -12.044 -6.961 -25.727 1.00 0.00 C ATOM 262 CD1 PHE A 17 -11.483 -6.376 -26.852 1.00 0.00 C ATOM 263 CD2 PHE A 17 -12.362 -8.306 -25.764 1.00 0.00 C ATOM 264 CE1 PHE A 17 -11.247 -7.121 -27.990 1.00 0.00 C ATOM 265 CE2 PHE A 17 -12.128 -9.056 -26.897 1.00 0.00 C ATOM 266 CZ PHE A 17 -11.570 -8.464 -28.013 1.00 0.00 C ATOM 0 H PHE A 17 -13.068 -4.724 -22.618 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.977 -4.351 -25.423 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.361 -5.698 -24.163 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -12.623 -6.818 -23.690 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.228 -5.327 -26.838 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.799 -8.775 -24.895 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.811 -6.655 -28.861 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.381 -10.106 -26.912 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.387 -9.050 -28.902 1.00 0.00 H new ATOM 276 N GLN A 18 -15.463 -6.131 -24.228 1.00 0.00 N ATOM 277 CA GLN A 18 -16.777 -6.666 -24.537 1.00 0.00 C ATOM 278 C GLN A 18 -17.658 -5.553 -25.100 1.00 0.00 C ATOM 279 O GLN A 18 -18.435 -5.765 -26.036 1.00 0.00 O ATOM 280 CB GLN A 18 -17.396 -7.258 -23.275 1.00 0.00 C ATOM 281 CG GLN A 18 -18.729 -7.939 -23.489 1.00 0.00 C ATOM 282 CD GLN A 18 -19.275 -8.519 -22.206 1.00 0.00 C ATOM 283 OE1 GLN A 18 -19.003 -9.670 -21.865 1.00 0.00 O ATOM 284 NE2 GLN A 18 -20.039 -7.729 -21.485 1.00 0.00 N ATOM 0 H GLN A 18 -15.217 -6.173 -23.239 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.690 -7.455 -25.284 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -16.699 -7.979 -22.848 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -17.523 -6.463 -22.540 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -19.442 -7.222 -23.896 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -18.617 -8.732 -24.228 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -20.239 -6.781 -21.805 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -20.432 -8.063 -20.605 1.00 0.00 H new ATOM 293 N ARG A 19 -17.509 -4.355 -24.536 1.00 0.00 N ATOM 294 CA ARG A 19 -18.231 -3.183 -25.010 1.00 0.00 C ATOM 295 C ARG A 19 -17.825 -2.858 -26.435 1.00 0.00 C ATOM 296 O ARG A 19 -18.639 -2.419 -27.226 1.00 0.00 O ATOM 297 CB ARG A 19 -17.981 -1.973 -24.114 1.00 0.00 C ATOM 298 CG ARG A 19 -18.565 -2.097 -22.723 1.00 0.00 C ATOM 299 CD ARG A 19 -18.372 -0.814 -21.942 1.00 0.00 C ATOM 300 NE ARG A 19 -18.909 -0.906 -20.587 1.00 0.00 N ATOM 301 CZ ARG A 19 -18.994 0.126 -19.748 1.00 0.00 C ATOM 302 NH1 ARG A 19 -18.639 1.345 -20.150 1.00 0.00 N1+ ATOM 303 NH2 ARG A 19 -19.452 -0.058 -18.516 1.00 0.00 N ATOM 0 H ARG A 19 -16.890 -4.174 -23.746 1.00 0.00 H new ATOM 0 HA ARG A 19 -19.296 -3.415 -24.979 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -16.906 -1.813 -24.031 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -18.399 -1.088 -24.593 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -19.627 -2.331 -22.789 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -18.089 -2.924 -22.196 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -17.309 -0.576 -21.894 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -18.859 0.007 -22.469 1.00 0.00 H new ATOM 0 HE ARG A 19 -19.239 -1.815 -20.263 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -18.301 1.490 -21.102 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -18.705 2.134 -19.506 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -19.739 -0.989 -18.212 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -19.517 0.731 -17.873 1.00 0.00 H new ATOM 317 N LEU A 20 -16.558 -3.106 -26.753 1.00 0.00 N ATOM 318 CA LEU A 20 -16.032 -2.838 -28.087 1.00 0.00 C ATOM 319 C LEU A 20 -16.818 -3.628 -29.114 1.00 0.00 C ATOM 320 O LEU A 20 -17.152 -3.115 -30.175 1.00 0.00 O ATOM 321 CB LEU A 20 -14.531 -3.195 -28.153 1.00 0.00 C ATOM 322 CG LEU A 20 -13.803 -2.980 -29.503 1.00 0.00 C ATOM 323 CD1 LEU A 20 -14.131 -4.069 -30.516 1.00 0.00 C ATOM 324 CD2 LEU A 20 -14.102 -1.602 -30.077 1.00 0.00 C ATOM 0 H LEU A 20 -15.875 -3.493 -26.102 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.137 -1.776 -28.307 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.012 -2.609 -27.394 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.422 -4.243 -27.876 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.735 -3.042 -29.296 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.597 -3.874 -31.446 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -13.828 -5.038 -30.120 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.204 -4.076 -30.709 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.577 -1.481 -31.025 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.175 -1.501 -30.241 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.769 -0.836 -29.377 1.00 0.00 H new ATOM 336 N ARG A 21 -17.149 -4.863 -28.779 1.00 0.00 N ATOM 337 CA ARG A 21 -17.926 -5.692 -29.684 1.00 0.00 C ATOM 338 C ARG A 21 -19.312 -5.112 -29.835 1.00 0.00 C ATOM 339 O ARG A 21 -19.821 -4.989 -30.933 1.00 0.00 O ATOM 340 CB ARG A 21 -18.021 -7.146 -29.200 1.00 0.00 C ATOM 341 CG ARG A 21 -16.877 -8.043 -29.653 1.00 0.00 C ATOM 342 CD ARG A 21 -16.729 -8.074 -31.182 1.00 0.00 C ATOM 343 NE ARG A 21 -17.961 -8.495 -31.894 1.00 0.00 N ATOM 344 CZ ARG A 21 -18.127 -9.690 -32.479 1.00 0.00 C ATOM 345 NH1 ARG A 21 -17.240 -10.664 -32.303 1.00 0.00 N1+ ATOM 346 NH2 ARG A 21 -19.201 -9.916 -33.213 1.00 0.00 N ATOM 0 H ARG A 21 -16.896 -5.310 -27.898 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.415 -5.701 -30.647 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -18.059 -7.150 -28.111 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -18.960 -7.572 -29.553 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.946 -7.693 -29.207 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -17.045 -9.056 -29.286 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.440 -7.082 -31.530 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.918 -8.753 -31.446 1.00 0.00 H new ATOM 0 HE ARG A 21 -18.734 -7.831 -31.942 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.420 -10.507 -31.717 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -17.379 -11.568 -32.754 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.900 -9.183 -33.333 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -19.332 -10.824 -33.660 1.00 0.00 H new ATOM 360 N GLU A 22 -19.879 -4.673 -28.728 1.00 0.00 N ATOM 361 CA GLU A 22 -21.217 -4.150 -28.703 1.00 0.00 C ATOM 362 C GLU A 22 -21.293 -2.842 -29.490 1.00 0.00 C ATOM 363 O GLU A 22 -22.310 -2.534 -30.116 1.00 0.00 O ATOM 364 CB GLU A 22 -21.614 -3.931 -27.244 1.00 0.00 C ATOM 365 CG GLU A 22 -22.988 -3.355 -27.037 1.00 0.00 C ATOM 366 CD GLU A 22 -24.079 -4.226 -27.607 1.00 0.00 C ATOM 367 OE1 GLU A 22 -24.219 -5.380 -27.156 1.00 0.00 O ATOM 368 OE2 GLU A 22 -24.805 -3.760 -28.503 1.00 0.00 O1- ATOM 0 H GLU A 22 -19.416 -4.672 -27.819 1.00 0.00 H new ATOM 0 HA GLU A 22 -21.906 -4.853 -29.171 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -21.554 -4.885 -26.720 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.885 -3.266 -26.781 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -23.161 -3.215 -25.970 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -23.037 -2.369 -27.500 1.00 0.00 H new ATOM 375 N ILE A 23 -20.215 -2.080 -29.463 1.00 0.00 N ATOM 376 CA ILE A 23 -20.160 -0.815 -30.161 1.00 0.00 C ATOM 377 C ILE A 23 -19.911 -1.062 -31.652 1.00 0.00 C ATOM 378 O ILE A 23 -20.494 -0.408 -32.520 1.00 0.00 O ATOM 379 CB ILE A 23 -19.039 0.093 -29.600 1.00 0.00 C ATOM 380 CG1 ILE A 23 -19.247 0.369 -28.106 1.00 0.00 C ATOM 381 CG2 ILE A 23 -18.988 1.395 -30.366 1.00 0.00 C ATOM 382 CD1 ILE A 23 -20.535 1.089 -27.781 1.00 0.00 C ATOM 0 H ILE A 23 -19.361 -2.321 -28.960 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.115 -0.309 -30.017 1.00 0.00 H new ATOM 0 HB ILE A 23 -18.090 -0.429 -29.721 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -19.228 -0.578 -27.567 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -18.410 0.962 -27.738 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.195 2.024 -29.961 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -18.788 1.191 -31.418 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -19.944 1.910 -30.272 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -20.603 1.244 -26.704 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -20.551 2.053 -28.289 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -21.381 0.489 -28.115 1.00 0.00 H new ATOM 394 N PHE A 24 -19.062 -2.057 -31.922 1.00 0.00 N ATOM 395 CA PHE A 24 -18.633 -2.374 -33.278 1.00 0.00 C ATOM 396 C PHE A 24 -19.760 -3.032 -34.057 1.00 0.00 C ATOM 397 O PHE A 24 -20.040 -2.663 -35.197 1.00 0.00 O ATOM 398 CB PHE A 24 -17.366 -3.262 -33.275 1.00 0.00 C ATOM 399 CG PHE A 24 -16.965 -3.762 -34.645 1.00 0.00 C ATOM 400 CD1 PHE A 24 -16.087 -3.035 -35.433 1.00 0.00 C ATOM 401 CD2 PHE A 24 -17.473 -4.955 -35.145 1.00 0.00 C ATOM 402 CE1 PHE A 24 -15.723 -3.484 -36.687 1.00 0.00 C ATOM 403 CE2 PHE A 24 -17.110 -5.407 -36.400 1.00 0.00 C ATOM 404 CZ PHE A 24 -16.234 -4.671 -37.171 1.00 0.00 C ATOM 0 H PHE A 24 -18.657 -2.661 -31.207 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.376 -1.439 -33.776 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -16.538 -2.695 -32.849 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -17.536 -4.118 -32.622 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -15.682 -2.105 -35.062 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -18.159 -5.536 -34.546 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -15.038 -2.906 -37.289 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.512 -6.336 -36.777 1.00 0.00 H new ATOM 0 HZ PHE A 24 -15.949 -5.023 -38.151 1.00 0.00 H new ATOM 414 N ASP A 25 -20.407 -4.007 -33.418 1.00 0.00 N ATOM 415 CA ASP A 25 -21.496 -4.765 -34.033 1.00 0.00 C ATOM 416 C ASP A 25 -22.684 -3.859 -34.358 1.00 0.00 C ATOM 417 O ASP A 25 -23.465 -4.148 -35.254 1.00 0.00 O ATOM 418 CB ASP A 25 -21.942 -5.932 -33.120 1.00 0.00 C ATOM 419 CG ASP A 25 -20.873 -7.021 -32.951 1.00 0.00 C ATOM 420 OD1 ASP A 25 -20.338 -7.511 -33.961 1.00 0.00 O ATOM 421 OD2 ASP A 25 -20.582 -7.406 -31.802 1.00 0.00 O1- ATOM 0 H ASP A 25 -20.192 -4.293 -32.463 1.00 0.00 H new ATOM 0 HA ASP A 25 -21.121 -5.183 -34.967 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -22.204 -5.536 -32.139 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -22.845 -6.381 -33.533 1.00 0.00 H new ATOM 426 N LYS A 26 -22.816 -2.763 -33.615 1.00 0.00 N ATOM 427 CA LYS A 26 -23.881 -1.796 -33.881 1.00 0.00 C ATOM 428 C LYS A 26 -23.406 -0.686 -34.817 1.00 0.00 C ATOM 429 O LYS A 26 -24.168 0.223 -35.152 1.00 0.00 O ATOM 430 CB LYS A 26 -24.445 -1.198 -32.591 1.00 0.00 C ATOM 431 CG LYS A 26 -25.150 -2.209 -31.700 1.00 0.00 C ATOM 432 CD LYS A 26 -26.123 -1.531 -30.741 1.00 0.00 C ATOM 433 CE LYS A 26 -25.433 -0.520 -29.838 1.00 0.00 C ATOM 434 NZ LYS A 26 -24.425 -1.158 -28.964 1.00 0.00 N1+ ATOM 0 H LYS A 26 -22.207 -2.523 -32.833 1.00 0.00 H new ATOM 0 HA LYS A 26 -24.684 -2.343 -34.375 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -23.632 -0.738 -32.029 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -25.145 -0.403 -32.847 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -25.689 -2.927 -32.319 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -24.410 -2.771 -31.131 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -26.904 -1.030 -31.313 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -26.612 -2.288 -30.128 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -24.952 0.244 -30.449 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -26.178 -0.014 -29.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -24.125 -0.484 -28.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -24.839 -1.999 -28.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -23.601 -1.440 -29.533 1.00 0.00 H new ATOM 448 N GLY A 27 -22.154 -0.773 -35.243 1.00 0.00 N ATOM 449 CA GLY A 27 -21.595 0.205 -36.163 1.00 0.00 C ATOM 450 C GLY A 27 -21.541 1.620 -35.611 1.00 0.00 C ATOM 451 O GLY A 27 -21.606 2.581 -36.372 1.00 0.00 O ATOM 0 H GLY A 27 -21.507 -1.511 -34.966 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.586 -0.105 -36.436 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.187 0.206 -37.078 1.00 0.00 H new ATOM 455 N ASP A 28 -21.431 1.760 -34.299 1.00 0.00 N ATOM 456 CA ASP A 28 -21.362 3.092 -33.702 1.00 0.00 C ATOM 457 C ASP A 28 -19.923 3.592 -33.691 1.00 0.00 C ATOM 458 O ASP A 28 -19.224 3.496 -32.683 1.00 0.00 O ATOM 459 CB ASP A 28 -21.942 3.104 -32.283 1.00 0.00 C ATOM 460 CG ASP A 28 -22.175 4.517 -31.755 1.00 0.00 C ATOM 461 OD1 ASP A 28 -21.267 5.369 -31.853 1.00 0.00 O ATOM 462 OD2 ASP A 28 -23.278 4.783 -31.243 1.00 0.00 O1- ATOM 0 H ASP A 28 -21.388 0.987 -33.635 1.00 0.00 H new ATOM 0 HA ASP A 28 -21.967 3.762 -34.313 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -22.885 2.557 -32.276 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -21.263 2.577 -31.613 1.00 0.00 H new ATOM 467 N ASP A 29 -19.477 4.081 -34.837 1.00 0.00 N ATOM 468 CA ASP A 29 -18.113 4.607 -34.992 1.00 0.00 C ATOM 469 C ASP A 29 -17.801 5.717 -33.989 1.00 0.00 C ATOM 470 O ASP A 29 -16.659 5.847 -33.537 1.00 0.00 O ATOM 471 CB ASP A 29 -17.897 5.141 -36.413 1.00 0.00 C ATOM 472 CG ASP A 29 -18.104 4.092 -37.481 1.00 0.00 C ATOM 473 OD1 ASP A 29 -19.160 4.121 -38.147 1.00 0.00 O ATOM 474 OD2 ASP A 29 -17.211 3.241 -37.672 1.00 0.00 O1- ATOM 0 H ASP A 29 -20.040 4.128 -35.687 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.436 3.774 -34.800 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -18.581 5.971 -36.590 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -16.886 5.539 -36.495 1.00 0.00 H new ATOM 479 N ASP A 30 -18.812 6.501 -33.631 1.00 0.00 N ATOM 480 CA ASP A 30 -18.619 7.622 -32.707 1.00 0.00 C ATOM 481 C ASP A 30 -18.173 7.140 -31.337 1.00 0.00 C ATOM 482 O ASP A 30 -17.195 7.643 -30.782 1.00 0.00 O ATOM 483 CB ASP A 30 -19.905 8.442 -32.563 1.00 0.00 C ATOM 484 CG ASP A 30 -20.292 9.160 -33.834 1.00 0.00 C ATOM 485 OD1 ASP A 30 -19.854 10.310 -34.033 1.00 0.00 O ATOM 486 OD2 ASP A 30 -21.043 8.581 -34.637 1.00 0.00 O1- ATOM 0 H ASP A 30 -19.770 6.385 -33.962 1.00 0.00 H new ATOM 0 HA ASP A 30 -17.837 8.253 -33.129 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -20.719 7.782 -32.263 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -19.776 9.172 -31.764 1.00 0.00 H new ATOM 491 N SER A 31 -18.881 6.168 -30.797 1.00 0.00 N ATOM 492 CA SER A 31 -18.547 5.624 -29.497 1.00 0.00 C ATOM 493 C SER A 31 -17.314 4.727 -29.599 1.00 0.00 C ATOM 494 O SER A 31 -16.499 4.663 -28.678 1.00 0.00 O ATOM 495 CB SER A 31 -19.739 4.845 -28.919 1.00 0.00 C ATOM 496 OG SER A 31 -19.529 4.510 -27.553 1.00 0.00 O ATOM 0 H SER A 31 -19.693 5.738 -31.240 1.00 0.00 H new ATOM 0 HA SER A 31 -18.318 6.448 -28.822 1.00 0.00 H new ATOM 0 HB2 SER A 31 -20.646 5.443 -29.013 1.00 0.00 H new ATOM 0 HB3 SER A 31 -19.896 3.935 -29.498 1.00 0.00 H new ATOM 0 HG SER A 31 -20.305 4.017 -27.214 1.00 0.00 H new ATOM 502 N LEU A 32 -17.170 4.069 -30.749 1.00 0.00 N ATOM 503 CA LEU A 32 -16.080 3.125 -30.987 1.00 0.00 C ATOM 504 C LEU A 32 -14.725 3.804 -30.849 1.00 0.00 C ATOM 505 O LEU A 32 -13.840 3.284 -30.168 1.00 0.00 O ATOM 506 CB LEU A 32 -16.239 2.519 -32.396 1.00 0.00 C ATOM 507 CG LEU A 32 -15.611 1.139 -32.642 1.00 0.00 C ATOM 508 CD1 LEU A 32 -16.143 0.551 -33.934 1.00 0.00 C ATOM 509 CD2 LEU A 32 -14.097 1.227 -32.705 1.00 0.00 C ATOM 0 H LEU A 32 -17.805 4.175 -31.540 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.127 2.333 -30.239 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.304 2.449 -32.615 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.811 3.218 -33.115 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.881 0.492 -31.807 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.693 -0.427 -34.101 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.226 0.445 -33.867 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.894 1.212 -34.764 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.682 0.234 -32.880 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.805 1.891 -33.518 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.716 1.619 -31.762 1.00 0.00 H new ATOM 521 N GLU A 33 -14.567 4.966 -31.471 1.00 0.00 N ATOM 522 CA GLU A 33 -13.312 5.703 -31.384 1.00 0.00 C ATOM 523 C GLU A 33 -12.966 6.020 -29.928 1.00 0.00 C ATOM 524 O GLU A 33 -11.823 5.850 -29.500 1.00 0.00 O ATOM 525 CB GLU A 33 -13.394 6.997 -32.194 1.00 0.00 C ATOM 526 CG GLU A 33 -12.100 7.794 -32.204 1.00 0.00 C ATOM 527 CD GLU A 33 -12.234 9.110 -32.927 1.00 0.00 C ATOM 528 OE1 GLU A 33 -12.036 9.140 -34.155 1.00 0.00 O ATOM 529 OE2 GLU A 33 -12.533 10.126 -32.268 1.00 0.00 O1- ATOM 0 H GLU A 33 -15.286 5.416 -32.037 1.00 0.00 H new ATOM 0 HA GLU A 33 -12.524 5.075 -31.799 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.670 6.756 -33.221 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.191 7.620 -31.788 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.784 7.979 -31.177 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.317 7.202 -32.677 1.00 0.00 H new ATOM 536 N GLN A 34 -13.961 6.462 -29.175 1.00 0.00 N ATOM 537 CA GLN A 34 -13.763 6.804 -27.776 1.00 0.00 C ATOM 538 C GLN A 34 -13.388 5.570 -26.948 1.00 0.00 C ATOM 539 O GLN A 34 -12.499 5.634 -26.097 1.00 0.00 O ATOM 540 CB GLN A 34 -15.009 7.482 -27.203 1.00 0.00 C ATOM 541 CG GLN A 34 -14.833 7.985 -25.777 1.00 0.00 C ATOM 542 CD GLN A 34 -13.673 8.960 -25.635 1.00 0.00 C ATOM 543 OE1 GLN A 34 -13.338 9.696 -26.567 1.00 0.00 O ATOM 544 NE2 GLN A 34 -13.052 8.968 -24.472 1.00 0.00 N ATOM 0 H GLN A 34 -14.915 6.592 -29.510 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.932 7.507 -27.720 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -15.282 8.321 -27.843 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -15.840 6.777 -27.230 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -15.753 8.472 -25.452 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -14.671 7.135 -25.114 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.359 8.344 -23.726 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.265 9.598 -24.319 1.00 0.00 H new ATOM 553 N VAL A 35 -14.051 4.445 -27.213 1.00 0.00 N ATOM 554 CA VAL A 35 -13.778 3.202 -26.494 1.00 0.00 C ATOM 555 C VAL A 35 -12.352 2.714 -26.760 1.00 0.00 C ATOM 556 O VAL A 35 -11.703 2.170 -25.867 1.00 0.00 O ATOM 557 CB VAL A 35 -14.804 2.087 -26.864 1.00 0.00 C ATOM 558 CG1 VAL A 35 -14.417 0.749 -26.245 1.00 0.00 C ATOM 559 CG2 VAL A 35 -16.199 2.483 -26.409 1.00 0.00 C ATOM 0 H VAL A 35 -14.781 4.369 -27.921 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.881 3.418 -25.431 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.797 1.975 -27.948 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.152 -0.006 -26.522 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.434 0.450 -26.610 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.387 0.845 -25.160 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -16.905 1.696 -26.674 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.202 2.625 -25.328 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -16.491 3.412 -26.898 1.00 0.00 H new ATOM 569 N LEU A 36 -11.856 2.940 -27.976 1.00 0.00 N ATOM 570 CA LEU A 36 -10.503 2.513 -28.339 1.00 0.00 C ATOM 571 C LEU A 36 -9.471 3.156 -27.428 1.00 0.00 C ATOM 572 O LEU A 36 -8.539 2.492 -26.972 1.00 0.00 O ATOM 573 CB LEU A 36 -10.192 2.874 -29.794 1.00 0.00 C ATOM 574 CG LEU A 36 -11.045 2.184 -30.856 1.00 0.00 C ATOM 575 CD1 LEU A 36 -10.716 2.730 -32.235 1.00 0.00 C ATOM 576 CD2 LEU A 36 -10.837 0.676 -30.816 1.00 0.00 C ATOM 0 H LEU A 36 -12.366 3.413 -28.722 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.456 1.430 -28.222 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.304 3.952 -29.911 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.146 2.639 -29.989 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.094 2.390 -30.642 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.332 2.228 -32.981 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.916 3.801 -32.260 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.663 2.553 -32.455 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.454 0.203 -31.580 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.788 0.448 -31.004 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.120 0.296 -29.835 1.00 0.00 H new ATOM 588 N GLU A 37 -9.659 4.435 -27.127 1.00 0.00 N ATOM 589 CA GLU A 37 -8.734 5.136 -26.257 1.00 0.00 C ATOM 590 C GLU A 37 -8.835 4.613 -24.838 1.00 0.00 C ATOM 591 O GLU A 37 -7.845 4.570 -24.113 1.00 0.00 O ATOM 592 CB GLU A 37 -8.969 6.639 -26.282 1.00 0.00 C ATOM 593 CG GLU A 37 -8.661 7.285 -27.615 1.00 0.00 C ATOM 594 CD GLU A 37 -8.450 8.769 -27.484 1.00 0.00 C ATOM 595 OE1 GLU A 37 -7.276 9.206 -27.456 1.00 0.00 O ATOM 596 OE2 GLU A 37 -9.446 9.508 -27.378 1.00 0.00 O1- ATOM 0 H GLU A 37 -10.436 5.000 -27.470 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.728 4.949 -26.632 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.009 6.839 -26.024 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.354 7.106 -25.512 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.769 6.828 -28.042 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.480 7.095 -28.309 1.00 0.00 H new ATOM 603 N GLU A 38 -10.033 4.204 -24.445 1.00 0.00 N ATOM 604 CA GLU A 38 -10.242 3.651 -23.124 1.00 0.00 C ATOM 605 C GLU A 38 -9.562 2.292 -23.014 1.00 0.00 C ATOM 606 O GLU A 38 -8.995 1.950 -21.976 1.00 0.00 O ATOM 607 CB GLU A 38 -11.737 3.550 -22.807 1.00 0.00 C ATOM 608 CG GLU A 38 -12.400 4.902 -22.590 1.00 0.00 C ATOM 609 CD GLU A 38 -13.818 4.787 -22.078 1.00 0.00 C ATOM 610 OE1 GLU A 38 -14.757 5.058 -22.850 1.00 0.00 O ATOM 611 OE2 GLU A 38 -14.000 4.431 -20.886 1.00 0.00 O1- ATOM 0 H GLU A 38 -10.871 4.247 -25.025 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.795 4.319 -22.388 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.240 3.034 -23.624 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.871 2.940 -21.914 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.809 5.481 -21.881 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.402 5.455 -23.529 1.00 0.00 H new ATOM 618 N ILE A 39 -9.611 1.531 -24.102 1.00 0.00 N ATOM 619 CA ILE A 39 -8.940 0.239 -24.153 1.00 0.00 C ATOM 620 C ILE A 39 -7.434 0.446 -24.017 1.00 0.00 C ATOM 621 O ILE A 39 -6.781 -0.201 -23.198 1.00 0.00 O ATOM 622 CB ILE A 39 -9.224 -0.520 -25.475 1.00 0.00 C ATOM 623 CG1 ILE A 39 -10.722 -0.800 -25.637 1.00 0.00 C ATOM 624 CG2 ILE A 39 -8.437 -1.828 -25.513 1.00 0.00 C ATOM 625 CD1 ILE A 39 -11.298 -1.699 -24.567 1.00 0.00 C ATOM 0 H ILE A 39 -10.106 1.786 -24.957 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.327 -0.363 -23.331 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.904 0.111 -26.304 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.261 0.147 -25.630 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.893 -1.257 -26.612 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.645 -2.351 -26.446 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.370 -1.613 -25.448 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.733 -2.455 -24.672 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.362 -1.849 -24.752 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.787 -2.662 -24.587 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.161 -1.235 -23.590 1.00 0.00 H new ATOM 637 N GLU A 40 -6.897 1.379 -24.808 1.00 0.00 N ATOM 638 CA GLU A 40 -5.474 1.718 -24.759 1.00 0.00 C ATOM 639 C GLU A 40 -5.064 2.180 -23.360 1.00 0.00 C ATOM 640 O GLU A 40 -3.965 1.870 -22.893 1.00 0.00 O ATOM 641 CB GLU A 40 -5.147 2.803 -25.791 1.00 0.00 C ATOM 642 CG GLU A 40 -5.300 2.348 -27.238 1.00 0.00 C ATOM 643 CD GLU A 40 -5.029 3.460 -28.233 1.00 0.00 C ATOM 644 OE1 GLU A 40 -3.972 4.123 -28.121 1.00 0.00 O ATOM 645 OE2 GLU A 40 -5.857 3.674 -29.135 1.00 0.00 O1- ATOM 0 H GLU A 40 -7.430 1.915 -25.493 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.907 0.819 -24.999 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.797 3.661 -25.620 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.123 3.143 -25.634 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.616 1.521 -27.429 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.310 1.968 -27.390 1.00 0.00 H new ATOM 652 N GLU A 41 -5.963 2.891 -22.687 1.00 0.00 N ATOM 653 CA GLU A 41 -5.710 3.377 -21.336 1.00 0.00 C ATOM 654 C GLU A 41 -5.551 2.213 -20.376 1.00 0.00 C ATOM 655 O GLU A 41 -4.624 2.179 -19.571 1.00 0.00 O ATOM 656 CB GLU A 41 -6.871 4.257 -20.876 1.00 0.00 C ATOM 657 CG GLU A 41 -6.715 5.726 -21.208 1.00 0.00 C ATOM 658 CD GLU A 41 -5.908 6.460 -20.164 1.00 0.00 C ATOM 659 OE1 GLU A 41 -6.497 6.863 -19.131 1.00 0.00 O ATOM 660 OE2 GLU A 41 -4.694 6.635 -20.358 1.00 0.00 O1- ATOM 0 H GLU A 41 -6.879 3.144 -23.058 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.789 3.960 -21.344 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.791 3.890 -21.331 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.985 4.151 -19.797 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.230 5.829 -22.179 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.700 6.185 -21.293 1.00 0.00 H new ATOM 667 N LEU A 42 -6.442 1.246 -20.493 1.00 0.00 N ATOM 668 CA LEU A 42 -6.433 0.086 -19.628 1.00 0.00 C ATOM 669 C LEU A 42 -5.229 -0.800 -19.904 1.00 0.00 C ATOM 670 O LEU A 42 -4.654 -1.372 -18.984 1.00 0.00 O ATOM 671 CB LEU A 42 -7.735 -0.703 -19.775 1.00 0.00 C ATOM 672 CG LEU A 42 -9.002 0.026 -19.314 1.00 0.00 C ATOM 673 CD1 LEU A 42 -10.237 -0.796 -19.630 1.00 0.00 C ATOM 674 CD2 LEU A 42 -8.935 0.326 -17.823 1.00 0.00 C ATOM 0 H LEU A 42 -7.189 1.244 -21.188 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.356 0.435 -18.598 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.856 -0.979 -20.822 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.644 -1.630 -19.209 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.067 0.970 -19.855 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.126 -0.261 -19.295 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.298 -0.963 -20.705 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.176 -1.756 -19.117 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.843 0.844 -17.515 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.843 -0.608 -17.268 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.070 0.957 -17.617 1.00 0.00 H new ATOM 686 N ILE A 43 -4.842 -0.902 -21.172 1.00 0.00 N ATOM 687 CA ILE A 43 -3.698 -1.723 -21.548 1.00 0.00 C ATOM 688 C ILE A 43 -2.419 -1.196 -20.896 1.00 0.00 C ATOM 689 O ILE A 43 -1.659 -1.961 -20.293 1.00 0.00 O ATOM 690 CB ILE A 43 -3.502 -1.768 -23.088 1.00 0.00 C ATOM 691 CG1 ILE A 43 -4.706 -2.435 -23.765 1.00 0.00 C ATOM 692 CG2 ILE A 43 -2.214 -2.504 -23.446 1.00 0.00 C ATOM 693 CD1 ILE A 43 -4.627 -2.445 -25.279 1.00 0.00 C ATOM 0 H ILE A 43 -5.301 -0.430 -21.951 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.902 -2.734 -21.195 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.425 -0.744 -23.452 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.790 -3.461 -23.408 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.615 -1.917 -23.461 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.096 -2.524 -24.529 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.364 -1.989 -22.998 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.261 -3.525 -23.067 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.513 -2.933 -25.686 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.575 -1.420 -25.647 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.736 -2.989 -25.593 1.00 0.00 H new ATOM 705 N GLN A 44 -2.200 0.114 -20.999 1.00 0.00 N ATOM 706 CA GLN A 44 -1.012 0.739 -20.418 1.00 0.00 C ATOM 707 C GLN A 44 -1.013 0.607 -18.899 1.00 0.00 C ATOM 708 O GLN A 44 -0.011 0.239 -18.305 1.00 0.00 O ATOM 709 CB GLN A 44 -0.935 2.220 -20.804 1.00 0.00 C ATOM 710 CG GLN A 44 -0.912 2.479 -22.304 1.00 0.00 C ATOM 711 CD GLN A 44 -0.840 3.959 -22.633 1.00 0.00 C ATOM 712 OE1 GLN A 44 -1.304 4.801 -21.862 1.00 0.00 O ATOM 713 NE2 GLN A 44 -0.271 4.288 -23.781 1.00 0.00 N ATOM 0 H GLN A 44 -2.827 0.761 -21.477 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.139 0.221 -20.815 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.789 2.741 -20.371 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.039 2.653 -20.359 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.056 1.969 -22.745 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.806 2.051 -22.758 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.101 3.561 -24.392 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.205 5.268 -24.055 1.00 0.00 H new ATOM 722 N LYS A 45 -2.157 0.884 -18.290 1.00 0.00 N ATOM 723 CA LYS A 45 -2.302 0.815 -16.833 1.00 0.00 C ATOM 724 C LYS A 45 -2.127 -0.606 -16.308 1.00 0.00 C ATOM 725 O LYS A 45 -1.583 -0.813 -15.225 1.00 0.00 O ATOM 726 CB LYS A 45 -3.645 1.395 -16.401 1.00 0.00 C ATOM 727 CG LYS A 45 -3.764 2.876 -16.696 1.00 0.00 C ATOM 728 CD LYS A 45 -5.160 3.401 -16.431 1.00 0.00 C ATOM 729 CE LYS A 45 -5.271 4.849 -16.865 1.00 0.00 C ATOM 730 NZ LYS A 45 -6.653 5.363 -16.758 1.00 0.00 N1+ ATOM 0 H LYS A 45 -3.007 1.161 -18.781 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.506 1.417 -16.395 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.447 0.862 -16.911 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.781 1.229 -15.332 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.049 3.425 -16.084 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.500 3.060 -17.737 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.891 2.797 -16.968 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.393 3.314 -15.370 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.610 5.461 -16.252 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.929 4.944 -17.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.864 5.966 -17.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.319 4.565 -16.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.750 5.920 -15.885 1.00 0.00 H new ATOM 744 N HIS A 46 -2.571 -1.580 -17.080 1.00 0.00 N ATOM 745 CA HIS A 46 -2.457 -2.974 -16.687 1.00 0.00 C ATOM 746 C HIS A 46 -1.017 -3.444 -16.875 1.00 0.00 C ATOM 747 O HIS A 46 -0.452 -4.108 -16.014 1.00 0.00 O ATOM 748 CB HIS A 46 -3.439 -3.820 -17.519 1.00 0.00 C ATOM 749 CG HIS A 46 -3.354 -5.314 -17.335 1.00 0.00 C ATOM 750 ND1 HIS A 46 -3.763 -5.974 -16.196 1.00 0.00 N ATOM 751 CD2 HIS A 46 -2.963 -6.273 -18.197 1.00 0.00 C ATOM 752 CE1 HIS A 46 -3.626 -7.281 -16.375 1.00 0.00 C ATOM 753 NE2 HIS A 46 -3.142 -7.489 -17.587 1.00 0.00 N ATOM 0 H HIS A 46 -3.016 -1.432 -17.986 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.713 -3.089 -15.634 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.454 -3.503 -17.278 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.277 -3.595 -18.573 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.577 -6.113 -19.193 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.869 -8.046 -15.652 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.936 -8.399 -17.999 1.00 0.00 H new ATOM 761 N ARG A 47 -0.424 -3.077 -18.005 1.00 0.00 N ATOM 762 CA ARG A 47 0.957 -3.438 -18.299 1.00 0.00 C ATOM 763 C ARG A 47 1.935 -2.712 -17.373 1.00 0.00 C ATOM 764 O ARG A 47 2.975 -3.250 -17.024 1.00 0.00 O ATOM 765 CB ARG A 47 1.292 -3.137 -19.763 1.00 0.00 C ATOM 766 CG ARG A 47 2.704 -3.534 -20.163 1.00 0.00 C ATOM 767 CD ARG A 47 2.946 -3.316 -21.644 1.00 0.00 C ATOM 768 NE ARG A 47 4.300 -3.706 -22.033 1.00 0.00 N ATOM 769 CZ ARG A 47 4.588 -4.631 -22.954 1.00 0.00 C ATOM 770 NH1 ARG A 47 3.615 -5.271 -23.586 1.00 0.00 N1+ ATOM 771 NH2 ARG A 47 5.851 -4.921 -23.236 1.00 0.00 N ATOM 0 H ARG A 47 -0.880 -2.528 -18.734 1.00 0.00 H new ATOM 0 HA ARG A 47 1.062 -4.509 -18.125 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.582 -3.660 -20.404 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.159 -2.070 -19.945 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.423 -2.952 -19.587 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.872 -4.583 -19.917 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.222 -3.892 -22.220 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.785 -2.266 -21.888 1.00 0.00 H new ATOM 0 HE ARG A 47 5.080 -3.240 -21.569 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.641 -5.059 -23.371 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.840 -5.976 -24.288 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.606 -4.438 -22.750 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.067 -5.627 -23.939 1.00 0.00 H new ATOM 785 N GLN A 48 1.583 -1.496 -16.971 1.00 0.00 N ATOM 786 CA GLN A 48 2.433 -0.693 -16.090 1.00 0.00 C ATOM 787 C GLN A 48 2.699 -1.424 -14.778 1.00 0.00 C ATOM 788 O GLN A 48 3.792 -1.339 -14.217 1.00 0.00 O ATOM 789 CB GLN A 48 1.774 0.658 -15.809 1.00 0.00 C ATOM 790 CG GLN A 48 2.716 1.693 -15.222 1.00 0.00 C ATOM 791 CD GLN A 48 3.869 2.004 -16.151 1.00 0.00 C ATOM 792 OE1 GLN A 48 4.925 1.379 -16.081 1.00 0.00 O ATOM 793 NE2 GLN A 48 3.671 2.959 -17.036 1.00 0.00 N ATOM 0 H GLN A 48 0.711 -1.040 -17.241 1.00 0.00 H new ATOM 0 HA GLN A 48 3.386 -0.529 -16.593 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.356 1.047 -16.737 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.941 0.509 -15.122 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.163 2.608 -15.012 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.105 1.330 -14.271 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.780 3.454 -17.061 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.409 3.204 -17.696 1.00 0.00 H new ATOM 802 N LEU A 49 1.705 -2.158 -14.313 1.00 0.00 N ATOM 803 CA LEU A 49 1.819 -2.930 -13.088 1.00 0.00 C ATOM 804 C LEU A 49 2.765 -4.104 -13.305 1.00 0.00 C ATOM 805 O LEU A 49 3.484 -4.521 -12.401 1.00 0.00 O ATOM 806 CB LEU A 49 0.445 -3.442 -12.698 1.00 0.00 C ATOM 807 CG LEU A 49 -0.587 -2.367 -12.389 1.00 0.00 C ATOM 808 CD1 LEU A 49 -1.982 -2.944 -12.470 1.00 0.00 C ATOM 809 CD2 LEU A 49 -0.333 -1.761 -11.016 1.00 0.00 C ATOM 0 H LEU A 49 0.798 -2.236 -14.772 1.00 0.00 H new ATOM 0 HA LEU A 49 2.216 -2.300 -12.292 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.065 -4.065 -13.507 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.550 -4.084 -11.823 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.498 -1.574 -13.131 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.711 -2.165 -12.247 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.159 -3.330 -13.474 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.083 -3.754 -11.747 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.081 -0.994 -10.813 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.397 -2.541 -10.257 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.661 -1.313 -10.994 1.00 0.00 H new ATOM 821 N PHE A 50 2.762 -4.614 -14.526 1.00 0.00 N ATOM 822 CA PHE A 50 3.614 -5.724 -14.913 1.00 0.00 C ATOM 823 C PHE A 50 5.065 -5.258 -15.030 1.00 0.00 C ATOM 824 O PHE A 50 5.996 -6.022 -14.792 1.00 0.00 O ATOM 825 CB PHE A 50 3.119 -6.312 -16.245 1.00 0.00 C ATOM 826 CG PHE A 50 3.990 -7.393 -16.814 1.00 0.00 C ATOM 827 CD1 PHE A 50 4.038 -8.642 -16.226 1.00 0.00 C ATOM 828 CD2 PHE A 50 4.755 -7.158 -17.945 1.00 0.00 C ATOM 829 CE1 PHE A 50 4.832 -9.638 -16.753 1.00 0.00 C ATOM 830 CE2 PHE A 50 5.553 -8.149 -18.476 1.00 0.00 C ATOM 831 CZ PHE A 50 5.591 -9.391 -17.880 1.00 0.00 C ATOM 0 H PHE A 50 2.166 -4.268 -15.278 1.00 0.00 H new ATOM 0 HA PHE A 50 3.568 -6.500 -14.149 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.115 -6.711 -16.100 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.039 -5.506 -16.975 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.447 -8.840 -15.344 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.726 -6.187 -18.416 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.861 -10.611 -16.285 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.147 -7.953 -19.357 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.214 -10.170 -18.294 1.00 0.00 H new ATOM 841 N ASP A 51 5.241 -3.994 -15.395 1.00 0.00 N ATOM 842 CA ASP A 51 6.572 -3.405 -15.516 1.00 0.00 C ATOM 843 C ASP A 51 7.159 -3.107 -14.145 1.00 0.00 C ATOM 844 O ASP A 51 8.378 -3.008 -13.994 1.00 0.00 O ATOM 845 CB ASP A 51 6.542 -2.122 -16.363 1.00 0.00 C ATOM 846 CG ASP A 51 6.460 -2.396 -17.852 1.00 0.00 C ATOM 847 OD1 ASP A 51 7.504 -2.714 -18.464 1.00 0.00 O ATOM 848 OD2 ASP A 51 5.359 -2.296 -18.425 1.00 0.00 O1- ATOM 0 H ASP A 51 4.477 -3.354 -15.613 1.00 0.00 H new ATOM 0 HA ASP A 51 7.206 -4.134 -16.020 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.687 -1.515 -16.063 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.437 -1.536 -16.156 1.00 0.00 H new ATOM 969 N GLU A 60 4.139 -17.134 -20.287 1.00 0.00 N ATOM 970 CA GLU A 60 3.190 -17.523 -21.316 1.00 0.00 C ATOM 971 C GLU A 60 2.035 -16.533 -21.372 1.00 0.00 C ATOM 972 O GLU A 60 1.637 -16.087 -22.451 1.00 0.00 O ATOM 973 CB GLU A 60 2.680 -18.946 -21.087 1.00 0.00 C ATOM 974 CG GLU A 60 1.632 -19.379 -22.095 1.00 0.00 C ATOM 975 CD GLU A 60 1.315 -20.853 -22.027 1.00 0.00 C ATOM 976 OE1 GLU A 60 1.197 -21.483 -23.098 1.00 0.00 O ATOM 977 OE2 GLU A 60 1.196 -21.396 -20.910 1.00 0.00 O1- ATOM 0 HA GLU A 60 3.704 -17.508 -22.277 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.522 -19.637 -21.129 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.260 -19.017 -20.084 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.718 -18.809 -21.927 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.980 -19.135 -23.099 1.00 0.00 H new ATOM 984 N ALA A 61 1.514 -16.177 -20.203 1.00 0.00 N ATOM 985 CA ALA A 61 0.438 -15.204 -20.110 1.00 0.00 C ATOM 986 C ALA A 61 0.905 -13.856 -20.634 1.00 0.00 C ATOM 987 O ALA A 61 0.173 -13.162 -21.332 1.00 0.00 O ATOM 988 CB ALA A 61 -0.045 -15.079 -18.672 1.00 0.00 C ATOM 0 H ALA A 61 1.822 -16.551 -19.305 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.396 -15.546 -20.722 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.850 -14.346 -18.621 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.411 -16.046 -18.326 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.780 -14.755 -18.038 1.00 0.00 H new ATOM 994 N ALA A 62 2.144 -13.504 -20.308 1.00 0.00 N ATOM 995 CA ALA A 62 2.729 -12.254 -20.765 1.00 0.00 C ATOM 996 C ALA A 62 2.933 -12.277 -22.276 1.00 0.00 C ATOM 997 O ALA A 62 2.733 -11.273 -22.956 1.00 0.00 O ATOM 998 CB ALA A 62 4.051 -11.999 -20.056 1.00 0.00 C ATOM 0 H ALA A 62 2.762 -14.070 -19.727 1.00 0.00 H new ATOM 0 HA ALA A 62 2.041 -11.444 -20.524 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.477 -11.060 -20.408 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.882 -11.940 -18.981 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.742 -12.814 -20.270 1.00 0.00 H new ATOM 1004 N LYS A 63 3.313 -13.439 -22.795 1.00 0.00 N ATOM 1005 CA LYS A 63 3.549 -13.605 -24.222 1.00 0.00 C ATOM 1006 C LYS A 63 2.257 -13.424 -25.007 1.00 0.00 C ATOM 1007 O LYS A 63 2.230 -12.734 -26.027 1.00 0.00 O ATOM 1008 CB LYS A 63 4.149 -14.980 -24.500 1.00 0.00 C ATOM 1009 CG LYS A 63 4.559 -15.197 -25.946 1.00 0.00 C ATOM 1010 CD LYS A 63 5.220 -16.552 -26.140 1.00 0.00 C ATOM 1011 CE LYS A 63 6.519 -16.666 -25.349 1.00 0.00 C ATOM 1012 NZ LYS A 63 7.510 -15.638 -25.753 1.00 0.00 N1+ ATOM 0 H LYS A 63 3.465 -14.284 -22.244 1.00 0.00 H new ATOM 0 HA LYS A 63 4.255 -12.840 -24.545 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.021 -15.120 -23.861 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.424 -15.744 -24.221 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.682 -15.123 -26.589 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.246 -14.408 -26.253 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.534 -17.339 -25.828 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.424 -16.709 -27.199 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.305 -16.565 -24.285 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.946 -17.658 -25.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.442 -15.881 -25.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.571 -15.603 -26.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.213 -14.709 -25.392 1.00 0.00 H new ATOM 1026 N GLN A 64 1.182 -14.032 -24.521 1.00 0.00 N ATOM 1027 CA GLN A 64 -0.118 -13.886 -25.153 1.00 0.00 C ATOM 1028 C GLN A 64 -0.629 -12.472 -24.941 1.00 0.00 C ATOM 1029 O GLN A 64 -1.358 -11.928 -25.770 1.00 0.00 O ATOM 1030 CB GLN A 64 -1.117 -14.900 -24.597 1.00 0.00 C ATOM 1031 CG GLN A 64 -0.777 -16.346 -24.913 1.00 0.00 C ATOM 1032 CD GLN A 64 -1.848 -17.309 -24.440 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -2.540 -17.055 -23.457 1.00 0.00 O ATOM 1034 NE2 GLN A 64 -1.994 -18.418 -25.139 1.00 0.00 N ATOM 0 H GLN A 64 1.187 -14.629 -23.694 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.009 -14.076 -26.221 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.175 -14.780 -23.515 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.106 -14.675 -24.996 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.642 -16.458 -25.989 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.172 -16.604 -24.444 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.399 -18.592 -25.949 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.702 -19.101 -24.869 1.00 0.00 H new ATOM 1043 N GLY A 65 -0.212 -11.882 -23.828 1.00 0.00 N ATOM 1044 CA GLY A 65 -0.601 -10.530 -23.506 1.00 0.00 C ATOM 1045 C GLY A 65 -0.047 -9.560 -24.519 1.00 0.00 C ATOM 1046 O GLY A 65 -0.772 -8.713 -25.042 1.00 0.00 O ATOM 0 H GLY A 65 0.395 -12.325 -23.138 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.688 -10.455 -23.481 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.240 -10.270 -22.511 1.00 0.00 H new ATOM 1050 N ASP A 66 1.242 -9.699 -24.816 1.00 0.00 N ATOM 1051 CA ASP A 66 1.893 -8.875 -25.829 1.00 0.00 C ATOM 1052 C ASP A 66 1.282 -9.092 -27.193 1.00 0.00 C ATOM 1053 O ASP A 66 1.130 -8.145 -27.968 1.00 0.00 O ATOM 1054 CB ASP A 66 3.400 -9.132 -25.888 1.00 0.00 C ATOM 1055 CG ASP A 66 4.179 -8.267 -24.926 1.00 0.00 C ATOM 1056 OD1 ASP A 66 4.520 -8.735 -23.827 1.00 0.00 O ATOM 1057 OD2 ASP A 66 4.463 -7.095 -25.281 1.00 0.00 O1- ATOM 0 H ASP A 66 1.858 -10.377 -24.368 1.00 0.00 H new ATOM 0 HA ASP A 66 1.734 -7.837 -25.536 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.594 -10.181 -25.665 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.756 -8.951 -26.902 1.00 0.00 H new ATOM 1062 N GLN A 67 0.921 -10.334 -27.488 1.00 0.00 N ATOM 1063 CA GLN A 67 0.309 -10.663 -28.765 1.00 0.00 C ATOM 1064 C GLN A 67 -1.059 -10.009 -28.887 1.00 0.00 C ATOM 1065 O GLN A 67 -1.394 -9.449 -29.926 1.00 0.00 O ATOM 1066 CB GLN A 67 0.194 -12.182 -28.938 1.00 0.00 C ATOM 1067 CG GLN A 67 1.527 -12.874 -29.183 1.00 0.00 C ATOM 1068 CD GLN A 67 1.420 -14.390 -29.181 1.00 0.00 C ATOM 1069 OE1 GLN A 67 0.378 -14.960 -29.516 1.00 0.00 O ATOM 1070 NE2 GLN A 67 2.500 -15.051 -28.821 1.00 0.00 N ATOM 0 H GLN A 67 1.042 -11.128 -26.860 1.00 0.00 H new ATOM 0 HA GLN A 67 0.949 -10.276 -29.558 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.267 -12.606 -28.046 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.474 -12.394 -29.773 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.930 -12.545 -30.141 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.237 -12.565 -28.416 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.342 -14.543 -28.551 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.495 -16.071 -28.812 1.00 0.00 H new ATOM 1079 N TRP A 68 -1.834 -10.056 -27.810 1.00 0.00 N ATOM 1080 CA TRP A 68 -3.162 -9.460 -27.794 1.00 0.00 C ATOM 1081 C TRP A 68 -3.067 -7.956 -28.039 1.00 0.00 C ATOM 1082 O TRP A 68 -3.869 -7.384 -28.775 1.00 0.00 O ATOM 1083 CB TRP A 68 -3.853 -9.736 -26.453 1.00 0.00 C ATOM 1084 CG TRP A 68 -5.305 -9.355 -26.431 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -6.354 -10.150 -26.777 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -5.870 -8.095 -26.040 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -7.534 -9.470 -26.631 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -7.267 -8.205 -26.180 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -5.332 -6.887 -25.587 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -8.130 -7.156 -25.883 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -6.191 -5.847 -25.293 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -7.576 -5.987 -25.442 1.00 0.00 C ATOM 0 H TRP A 68 -1.563 -10.503 -26.934 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.756 -9.908 -28.591 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.762 -10.797 -26.219 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -3.332 -9.190 -25.667 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -6.268 -11.171 -27.118 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -8.462 -9.845 -26.827 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.265 -6.770 -25.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -9.199 -7.261 -25.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -5.787 -4.909 -24.942 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -8.220 -5.154 -25.203 1.00 0.00 H new ATOM 1103 N VAL A 69 -2.059 -7.330 -27.440 1.00 0.00 N ATOM 1104 CA VAL A 69 -1.852 -5.895 -27.591 1.00 0.00 C ATOM 1105 C VAL A 69 -1.446 -5.575 -29.021 1.00 0.00 C ATOM 1106 O VAL A 69 -1.914 -4.608 -29.607 1.00 0.00 O ATOM 1107 CB VAL A 69 -0.769 -5.357 -26.621 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -0.540 -3.862 -26.837 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -1.163 -5.629 -25.180 1.00 0.00 C ATOM 0 H VAL A 69 -1.373 -7.795 -26.845 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.796 -5.406 -27.349 1.00 0.00 H new ATOM 0 HB VAL A 69 0.164 -5.879 -26.831 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.224 -3.507 -26.145 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.211 -3.689 -27.861 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.470 -3.322 -26.659 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.391 -5.245 -24.513 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.110 -5.135 -24.962 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.271 -6.703 -25.029 1.00 0.00 H new ATOM 1119 N GLN A 70 -0.596 -6.423 -29.583 1.00 0.00 N ATOM 1120 CA GLN A 70 -0.099 -6.241 -30.920 1.00 0.00 C ATOM 1121 C GLN A 70 -1.234 -6.379 -31.932 1.00 0.00 C ATOM 1122 O GLN A 70 -1.376 -5.556 -32.837 1.00 0.00 O ATOM 1123 CB GLN A 70 0.998 -7.264 -31.195 1.00 0.00 C ATOM 1124 CG GLN A 70 1.681 -7.086 -32.523 1.00 0.00 C ATOM 1125 CD GLN A 70 2.801 -8.083 -32.740 1.00 0.00 C ATOM 1126 OE1 GLN A 70 2.759 -9.206 -32.234 1.00 0.00 O ATOM 1127 NE2 GLN A 70 3.811 -7.681 -33.482 1.00 0.00 N ATOM 0 H GLN A 70 -0.237 -7.255 -29.115 1.00 0.00 H new ATOM 0 HA GLN A 70 0.318 -5.239 -31.018 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.744 -7.203 -30.403 1.00 0.00 H new ATOM 0 HB3 GLN A 70 0.567 -8.264 -31.151 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.947 -7.190 -33.322 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.082 -6.075 -32.589 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.808 -6.743 -33.883 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.597 -8.307 -33.656 1.00 0.00 H new ATOM 1136 N LEU A 71 -2.043 -7.419 -31.766 1.00 0.00 N ATOM 1137 CA LEU A 71 -3.190 -7.637 -32.637 1.00 0.00 C ATOM 1138 C LEU A 71 -4.201 -6.508 -32.492 1.00 0.00 C ATOM 1139 O LEU A 71 -4.784 -6.069 -33.474 1.00 0.00 O ATOM 1140 CB LEU A 71 -3.864 -8.991 -32.362 1.00 0.00 C ATOM 1141 CG LEU A 71 -3.325 -10.197 -33.150 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -1.882 -10.497 -32.785 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -4.199 -11.418 -32.912 1.00 0.00 C ATOM 0 H LEU A 71 -1.926 -8.123 -31.037 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.820 -7.649 -33.662 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.771 -9.209 -31.298 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.928 -8.892 -32.575 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.354 -9.944 -34.210 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.532 -11.355 -33.360 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.261 -9.630 -33.012 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.815 -10.722 -31.721 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.805 -12.263 -33.476 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.203 -11.661 -31.849 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.217 -11.206 -33.239 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.389 -6.030 -31.264 1.00 0.00 N ATOM 1156 CA PHE A 72 -5.320 -4.935 -31.024 1.00 0.00 C ATOM 1157 C PHE A 72 -4.792 -3.642 -31.628 1.00 0.00 C ATOM 1158 O PHE A 72 -5.549 -2.857 -32.201 1.00 0.00 O ATOM 1159 CB PHE A 72 -5.610 -4.734 -29.530 1.00 0.00 C ATOM 1160 CG PHE A 72 -6.599 -3.621 -29.280 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -7.961 -3.864 -29.339 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -6.163 -2.329 -29.015 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -8.870 -2.843 -29.139 1.00 0.00 C ATOM 1164 CE2 PHE A 72 -7.067 -1.306 -28.811 1.00 0.00 C ATOM 1165 CZ PHE A 72 -8.423 -1.563 -28.875 1.00 0.00 C ATOM 0 H PHE A 72 -3.915 -6.379 -30.431 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.258 -5.205 -31.509 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.998 -5.662 -29.110 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.679 -4.513 -29.009 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -8.317 -4.863 -29.544 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.104 -2.122 -28.968 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.930 -3.046 -29.189 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.715 -0.307 -28.602 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.133 -0.764 -28.719 1.00 0.00 H new ATOM 1175 N GLN A 73 -3.495 -3.419 -31.492 1.00 0.00 N ATOM 1176 CA GLN A 73 -2.868 -2.240 -32.036 1.00 0.00 C ATOM 1177 C GLN A 73 -3.053 -2.210 -33.546 1.00 0.00 C ATOM 1178 O GLN A 73 -3.442 -1.194 -34.116 1.00 0.00 O ATOM 1179 CB GLN A 73 -1.384 -2.247 -31.686 1.00 0.00 C ATOM 1180 CG GLN A 73 -0.795 -0.870 -31.523 1.00 0.00 C ATOM 1181 CD GLN A 73 -1.460 -0.093 -30.402 1.00 0.00 C ATOM 1182 OE1 GLN A 73 -1.935 -0.667 -29.426 1.00 0.00 O ATOM 1183 NE2 GLN A 73 -1.492 1.210 -30.533 1.00 0.00 N ATOM 0 H GLN A 73 -2.857 -4.048 -31.005 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.330 -1.350 -31.609 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.240 -2.806 -30.761 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.838 -2.776 -32.467 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.273 -0.955 -31.321 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -0.900 -0.319 -32.457 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.086 1.650 -31.359 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.923 1.785 -29.809 1.00 0.00 H new ATOM 1192 N ARG A 74 -2.811 -3.355 -34.177 1.00 0.00 N ATOM 1193 CA ARG A 74 -2.998 -3.501 -35.616 1.00 0.00 C ATOM 1194 C ARG A 74 -4.479 -3.399 -35.966 1.00 0.00 C ATOM 1195 O ARG A 74 -4.845 -2.912 -37.033 1.00 0.00 O ATOM 1196 CB ARG A 74 -2.404 -4.826 -36.101 1.00 0.00 C ATOM 1197 CG ARG A 74 -0.892 -4.892 -35.947 1.00 0.00 C ATOM 1198 CD ARG A 74 -0.328 -6.229 -36.394 1.00 0.00 C ATOM 1199 NE ARG A 74 1.134 -6.255 -36.287 1.00 0.00 N ATOM 1200 CZ ARG A 74 1.895 -7.338 -36.470 1.00 0.00 C ATOM 1201 NH1 ARG A 74 1.339 -8.513 -36.740 1.00 0.00 N1+ ATOM 1202 NH2 ARG A 74 3.213 -7.241 -36.372 1.00 0.00 N ATOM 0 H ARG A 74 -2.483 -4.200 -33.710 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.472 -2.693 -36.125 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.856 -5.646 -35.544 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.663 -4.972 -37.150 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.434 -4.093 -36.530 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.627 -4.718 -34.904 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.753 -7.027 -35.785 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.622 -6.423 -37.425 1.00 0.00 H new ATOM 0 HE ARG A 74 1.606 -5.381 -36.055 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.325 -8.593 -36.809 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.926 -9.335 -36.878 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.644 -6.342 -36.157 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.797 -8.066 -36.511 1.00 0.00 H new ATOM 1216 N PHE A 75 -5.318 -3.862 -35.049 1.00 0.00 N ATOM 1217 CA PHE A 75 -6.763 -3.753 -35.192 1.00 0.00 C ATOM 1218 C PHE A 75 -7.161 -2.288 -35.309 1.00 0.00 C ATOM 1219 O PHE A 75 -7.922 -1.911 -36.201 1.00 0.00 O ATOM 1220 CB PHE A 75 -7.474 -4.415 -33.999 1.00 0.00 C ATOM 1221 CG PHE A 75 -8.955 -4.157 -33.934 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -9.826 -4.820 -34.777 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -9.472 -3.250 -33.020 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -11.185 -4.584 -34.714 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -10.829 -3.010 -32.953 1.00 0.00 C ATOM 1226 CZ PHE A 75 -11.687 -3.677 -33.801 1.00 0.00 C ATOM 0 H PHE A 75 -5.018 -4.321 -34.189 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.069 -4.273 -36.099 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.307 -5.491 -34.044 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.015 -4.060 -33.076 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.440 -5.530 -35.493 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.804 -2.725 -32.353 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.856 -5.109 -35.379 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.218 -2.301 -32.237 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.750 -3.491 -33.752 1.00 0.00 H new ATOM 1236 N ARG A 76 -6.636 -1.456 -34.413 1.00 0.00 N ATOM 1237 CA ARG A 76 -6.916 -0.036 -34.484 1.00 0.00 C ATOM 1238 C ARG A 76 -6.320 0.568 -35.745 1.00 0.00 C ATOM 1239 O ARG A 76 -6.934 1.425 -36.373 1.00 0.00 O ATOM 1240 CB ARG A 76 -6.415 0.746 -33.276 1.00 0.00 C ATOM 1241 CG ARG A 76 -6.817 2.208 -33.379 1.00 0.00 C ATOM 1242 CD ARG A 76 -5.944 3.134 -32.572 1.00 0.00 C ATOM 1243 NE ARG A 76 -6.041 4.505 -33.093 1.00 0.00 N ATOM 1244 CZ ARG A 76 -6.048 5.604 -32.339 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -5.971 5.517 -31.016 1.00 0.00 N1+ ATOM 1246 NH2 ARG A 76 -6.145 6.796 -32.911 1.00 0.00 N ATOM 0 H ARG A 76 -6.027 -1.739 -33.646 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.003 0.046 -34.498 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.824 0.315 -32.362 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.330 0.666 -33.209 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.784 2.512 -34.425 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.850 2.316 -33.048 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.248 3.112 -31.526 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.909 2.795 -32.610 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.108 4.624 -34.104 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.906 4.603 -30.568 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.977 6.364 -30.448 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.214 6.871 -33.926 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.151 7.639 -32.336 1.00 0.00 H new ATOM 1260 N GLU A 77 -5.132 0.091 -36.135 1.00 0.00 N ATOM 1261 CA GLU A 77 -4.456 0.624 -37.311 1.00 0.00 C ATOM 1262 C GLU A 77 -5.311 0.403 -38.536 1.00 0.00 C ATOM 1263 O GLU A 77 -5.340 1.228 -39.441 1.00 0.00 O ATOM 1264 CB GLU A 77 -3.078 -0.018 -37.510 1.00 0.00 C ATOM 1265 CG GLU A 77 -2.077 0.307 -36.414 1.00 0.00 C ATOM 1266 CD GLU A 77 -0.693 -0.225 -36.714 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -0.422 -1.405 -36.414 1.00 0.00 O ATOM 1268 OE2 GLU A 77 0.137 0.539 -37.256 1.00 0.00 O1- ATOM 0 H GLU A 77 -4.628 -0.655 -35.656 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.305 1.693 -37.157 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.198 -1.100 -37.568 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.672 0.309 -38.467 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.026 1.388 -36.282 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.427 -0.113 -35.471 1.00 0.00 H new ATOM 1275 N ALA A 78 -6.029 -0.708 -38.547 1.00 0.00 N ATOM 1276 CA ALA A 78 -6.927 -1.012 -39.629 1.00 0.00 C ATOM 1277 C ALA A 78 -8.075 -0.010 -39.641 1.00 0.00 C ATOM 1278 O ALA A 78 -8.447 0.501 -40.694 1.00 0.00 O ATOM 1279 CB ALA A 78 -7.446 -2.430 -39.499 1.00 0.00 C ATOM 0 H ALA A 78 -6.001 -1.413 -37.810 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.390 -0.936 -40.574 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.124 -2.646 -40.324 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.609 -3.128 -39.525 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.979 -2.537 -38.554 1.00 0.00 H new ATOM 1285 N ILE A 79 -8.632 0.276 -38.455 1.00 0.00 N ATOM 1286 CA ILE A 79 -9.688 1.282 -38.309 1.00 0.00 C ATOM 1287 C ILE A 79 -9.209 2.654 -38.779 1.00 0.00 C ATOM 1288 O ILE A 79 -9.931 3.357 -39.491 1.00 0.00 O ATOM 1289 CB ILE A 79 -10.144 1.400 -36.825 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -10.725 0.075 -36.336 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -11.162 2.525 -36.655 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -11.136 0.084 -34.880 1.00 0.00 C ATOM 0 H ILE A 79 -8.366 -0.178 -37.582 1.00 0.00 H new ATOM 0 HA ILE A 79 -10.526 0.957 -38.926 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.269 1.639 -36.220 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -11.592 -0.177 -36.946 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.987 -0.712 -36.490 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -11.465 2.587 -35.610 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.713 3.471 -36.959 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -12.036 2.322 -37.274 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -11.539 -0.892 -34.610 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -10.268 0.304 -34.258 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -11.898 0.847 -34.722 1.00 0.00 H new ATOM 1304 N ASP A 80 -7.990 3.026 -38.397 1.00 0.00 N ATOM 1305 CA ASP A 80 -7.431 4.312 -38.810 1.00 0.00 C ATOM 1306 C ASP A 80 -7.256 4.337 -40.334 1.00 0.00 C ATOM 1307 O ASP A 80 -7.438 5.374 -40.977 1.00 0.00 O ATOM 1308 CB ASP A 80 -6.074 4.603 -38.113 1.00 0.00 C ATOM 1309 CG ASP A 80 -6.171 4.793 -36.590 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -6.669 5.849 -36.132 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -5.710 3.912 -35.852 1.00 0.00 O1- ATOM 0 H ASP A 80 -7.376 2.463 -37.809 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.130 5.092 -38.508 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.389 3.782 -38.322 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.639 5.501 -38.552 1.00 0.00 H new ATOM 1316 N LYS A 81 -6.920 3.175 -40.903 1.00 0.00 N ATOM 1317 CA LYS A 81 -6.742 3.034 -42.354 1.00 0.00 C ATOM 1318 C LYS A 81 -8.075 2.837 -43.090 1.00 0.00 C ATOM 1319 O LYS A 81 -8.099 2.760 -44.317 1.00 0.00 O ATOM 1320 CB LYS A 81 -5.812 1.858 -42.682 1.00 0.00 C ATOM 1321 CG LYS A 81 -4.377 2.027 -42.208 1.00 0.00 C ATOM 1322 CD LYS A 81 -3.553 0.785 -42.520 1.00 0.00 C ATOM 1323 CE LYS A 81 -2.139 0.891 -41.969 1.00 0.00 C ATOM 1324 NZ LYS A 81 -1.380 2.007 -42.584 1.00 0.00 N1+ ATOM 0 H LYS A 81 -6.765 2.314 -40.379 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.294 3.966 -42.698 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.223 0.953 -42.235 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.808 1.707 -43.761 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.930 2.896 -42.691 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.364 2.217 -41.135 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.043 -0.092 -42.097 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.512 0.638 -43.599 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.181 1.034 -40.889 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.611 -0.046 -42.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.390 1.969 -42.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.417 1.922 -43.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.801 2.913 -42.296 1.00 0.00 H new ATOM 1338 N GLY A 82 -9.174 2.760 -42.351 1.00 0.00 N ATOM 1339 CA GLY A 82 -10.478 2.562 -42.977 1.00 0.00 C ATOM 1340 C GLY A 82 -10.697 1.141 -43.497 1.00 0.00 C ATOM 1341 O GLY A 82 -11.549 0.915 -44.361 1.00 0.00 O ATOM 0 H GLY A 82 -9.192 2.830 -41.334 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.259 2.800 -42.254 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.585 3.263 -43.804 1.00 0.00 H new ATOM 1345 N ASP A 83 -9.931 0.194 -42.981 1.00 0.00 N ATOM 1346 CA ASP A 83 -10.064 -1.206 -43.393 1.00 0.00 C ATOM 1347 C ASP A 83 -11.014 -1.948 -42.468 1.00 0.00 C ATOM 1348 O ASP A 83 -10.635 -2.371 -41.380 1.00 0.00 O ATOM 1349 CB ASP A 83 -8.715 -1.918 -43.443 1.00 0.00 C ATOM 1350 CG ASP A 83 -8.815 -3.269 -44.134 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -9.319 -4.228 -43.518 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -8.391 -3.371 -45.308 1.00 0.00 O1- ATOM 0 H ASP A 83 -9.211 0.362 -42.278 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.475 -1.207 -44.402 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.993 -1.293 -43.969 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.339 -2.055 -42.429 1.00 0.00 H new ATOM 1357 N LYS A 84 -12.254 -2.070 -42.895 1.00 0.00 N ATOM 1358 CA LYS A 84 -13.274 -2.717 -42.088 1.00 0.00 C ATOM 1359 C LYS A 84 -13.148 -4.250 -42.144 1.00 0.00 C ATOM 1360 O LYS A 84 -13.504 -4.948 -41.193 1.00 0.00 O ATOM 1361 CB LYS A 84 -14.681 -2.267 -42.488 1.00 0.00 C ATOM 1362 CG LYS A 84 -15.736 -2.643 -41.460 1.00 0.00 C ATOM 1363 CD LYS A 84 -17.103 -2.089 -41.811 1.00 0.00 C ATOM 1364 CE LYS A 84 -18.110 -2.416 -40.719 1.00 0.00 C ATOM 1365 NZ LYS A 84 -19.454 -1.860 -41.004 1.00 0.00 N1+ ATOM 0 H LYS A 84 -12.583 -1.729 -43.798 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.110 -2.407 -41.056 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -14.686 -1.186 -42.627 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -14.941 -2.713 -43.448 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.795 -3.729 -41.383 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -15.436 -2.270 -40.481 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.040 -1.009 -41.944 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -17.438 -2.508 -42.760 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -18.183 -3.498 -40.609 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.751 -2.022 -39.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -20.104 -2.110 -40.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -19.392 -0.825 -41.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.811 -2.255 -41.898 1.00 0.00 H new ATOM 1379 N ASP A 85 -12.624 -4.754 -43.265 1.00 0.00 N ATOM 1380 CA ASP A 85 -12.518 -6.207 -43.512 1.00 0.00 C ATOM 1381 C ASP A 85 -11.683 -6.911 -42.454 1.00 0.00 C ATOM 1382 O ASP A 85 -12.115 -7.902 -41.867 1.00 0.00 O ATOM 1383 CB ASP A 85 -11.895 -6.478 -44.889 1.00 0.00 C ATOM 1384 CG ASP A 85 -12.768 -6.043 -46.041 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -12.587 -4.910 -46.536 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -13.624 -6.836 -46.477 1.00 0.00 O1- ATOM 0 H ASP A 85 -12.262 -4.178 -44.025 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.533 -6.602 -43.473 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.937 -5.961 -44.954 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.689 -7.544 -44.982 1.00 0.00 H new ATOM 1391 N SER A 86 -10.500 -6.387 -42.206 1.00 0.00 N ATOM 1392 CA SER A 86 -9.580 -6.983 -41.251 1.00 0.00 C ATOM 1393 C SER A 86 -10.134 -6.960 -39.827 1.00 0.00 C ATOM 1394 O SER A 86 -9.829 -7.841 -39.024 1.00 0.00 O ATOM 1395 CB SER A 86 -8.206 -6.309 -41.320 1.00 0.00 C ATOM 1396 OG SER A 86 -8.318 -4.903 -41.233 1.00 0.00 O ATOM 0 H SER A 86 -10.148 -5.542 -42.656 1.00 0.00 H new ATOM 0 HA SER A 86 -9.461 -8.030 -41.529 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.577 -6.677 -40.509 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.713 -6.579 -42.254 1.00 0.00 H new ATOM 0 HG SER A 86 -8.678 -4.551 -42.074 1.00 0.00 H new ATOM 1402 N LEU A 87 -10.970 -5.969 -39.533 1.00 0.00 N ATOM 1403 CA LEU A 87 -11.498 -5.774 -38.186 1.00 0.00 C ATOM 1404 C LEU A 87 -12.277 -6.991 -37.699 1.00 0.00 C ATOM 1405 O LEU A 87 -12.050 -7.469 -36.590 1.00 0.00 O ATOM 1406 CB LEU A 87 -12.408 -4.544 -38.146 1.00 0.00 C ATOM 1407 CG LEU A 87 -11.786 -3.240 -38.631 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -12.767 -2.089 -38.479 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -10.503 -2.952 -37.881 1.00 0.00 C ATOM 0 H LEU A 87 -11.298 -5.284 -40.214 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.645 -5.627 -37.524 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.291 -4.750 -38.751 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.750 -4.402 -37.121 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.547 -3.346 -39.689 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.304 -1.167 -38.831 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.661 -2.293 -39.068 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.040 -1.980 -37.429 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.073 -2.017 -38.241 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.716 -2.867 -36.815 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.795 -3.764 -38.046 1.00 0.00 H new ATOM 1421 N GLU A 88 -13.172 -7.500 -38.532 1.00 0.00 N ATOM 1422 CA GLU A 88 -13.994 -8.646 -38.158 1.00 0.00 C ATOM 1423 C GLU A 88 -13.140 -9.882 -37.862 1.00 0.00 C ATOM 1424 O GLU A 88 -13.399 -10.610 -36.900 1.00 0.00 O ATOM 1425 CB GLU A 88 -15.023 -8.951 -39.249 1.00 0.00 C ATOM 1426 CG GLU A 88 -16.000 -7.813 -39.506 1.00 0.00 C ATOM 1427 CD GLU A 88 -17.059 -8.172 -40.525 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -16.824 -7.965 -41.733 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -18.136 -8.664 -40.122 1.00 0.00 O1- ATOM 0 H GLU A 88 -13.349 -7.140 -39.470 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.524 -8.385 -37.242 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.498 -9.183 -40.176 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -15.584 -9.842 -38.968 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -16.483 -7.535 -38.569 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.450 -6.938 -39.853 1.00 0.00 H new ATOM 1436 N GLN A 89 -12.125 -10.115 -38.683 1.00 0.00 N ATOM 1437 CA GLN A 89 -11.238 -11.260 -38.493 1.00 0.00 C ATOM 1438 C GLN A 89 -10.382 -11.089 -37.237 1.00 0.00 C ATOM 1439 O GLN A 89 -10.236 -12.017 -36.438 1.00 0.00 O ATOM 1440 CB GLN A 89 -10.339 -11.455 -39.713 1.00 0.00 C ATOM 1441 CG GLN A 89 -9.410 -12.654 -39.598 1.00 0.00 C ATOM 1442 CD GLN A 89 -8.505 -12.809 -40.797 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -8.859 -12.435 -41.916 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -7.333 -13.364 -40.577 1.00 0.00 N ATOM 0 H GLN A 89 -11.894 -9.530 -39.486 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.862 -12.145 -38.369 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -10.963 -11.573 -40.599 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.741 -10.556 -39.861 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.801 -12.552 -38.700 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.005 -13.559 -39.478 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.078 -13.660 -39.635 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.679 -13.498 -41.348 1.00 0.00 H new ATOM 1453 N LEU A 90 -9.839 -9.891 -37.061 1.00 0.00 N ATOM 1454 CA LEU A 90 -8.977 -9.599 -35.920 1.00 0.00 C ATOM 1455 C LEU A 90 -9.752 -9.686 -34.612 1.00 0.00 C ATOM 1456 O LEU A 90 -9.201 -10.060 -33.582 1.00 0.00 O ATOM 1457 CB LEU A 90 -8.326 -8.220 -36.067 1.00 0.00 C ATOM 1458 CG LEU A 90 -7.333 -8.074 -37.228 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -6.827 -6.645 -37.323 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -6.167 -9.041 -37.064 1.00 0.00 C ATOM 0 H LEU A 90 -9.980 -9.104 -37.694 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.188 -10.351 -35.898 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.114 -7.478 -36.192 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.808 -7.982 -35.138 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.854 -8.318 -38.154 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.124 -6.562 -38.152 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.668 -5.972 -37.491 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.325 -6.374 -36.394 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.475 -8.921 -37.898 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.648 -8.830 -36.129 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.542 -10.064 -37.048 1.00 0.00 H new ATOM 1472 N LEU A 91 -11.036 -9.367 -34.671 1.00 0.00 N ATOM 1473 CA LEU A 91 -11.887 -9.413 -33.491 1.00 0.00 C ATOM 1474 C LEU A 91 -12.007 -10.824 -32.956 1.00 0.00 C ATOM 1475 O LEU A 91 -11.906 -11.047 -31.748 1.00 0.00 O ATOM 1476 CB LEU A 91 -13.270 -8.835 -33.781 1.00 0.00 C ATOM 1477 CG LEU A 91 -13.352 -7.314 -33.789 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -14.754 -6.858 -34.135 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -12.930 -6.753 -32.440 1.00 0.00 C ATOM 0 H LEU A 91 -11.512 -9.073 -35.524 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.414 -8.797 -32.727 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -13.604 -9.205 -34.750 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.968 -9.216 -33.036 1.00 0.00 H new ATOM 0 HG LEU A 91 -12.670 -6.937 -34.551 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.793 -5.769 -34.136 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -15.025 -7.231 -35.123 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -15.455 -7.245 -33.396 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.994 -5.665 -32.462 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -13.589 -7.140 -31.663 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.904 -7.052 -32.227 1.00 0.00 H new ATOM 1491 N GLU A 92 -12.194 -11.779 -33.854 1.00 0.00 N ATOM 1492 CA GLU A 92 -12.315 -13.168 -33.456 1.00 0.00 C ATOM 1493 C GLU A 92 -11.018 -13.652 -32.821 1.00 0.00 C ATOM 1494 O GLU A 92 -11.035 -14.343 -31.803 1.00 0.00 O ATOM 1495 CB GLU A 92 -12.699 -14.051 -34.646 1.00 0.00 C ATOM 1496 CG GLU A 92 -14.041 -13.688 -35.264 1.00 0.00 C ATOM 1497 CD GLU A 92 -14.468 -14.650 -36.349 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -13.950 -14.550 -37.479 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -15.336 -15.505 -36.085 1.00 0.00 O1- ATOM 0 H GLU A 92 -12.265 -11.616 -34.858 1.00 0.00 H new ATOM 0 HA GLU A 92 -13.112 -13.242 -32.716 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.924 -13.975 -35.409 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.727 -15.091 -34.322 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -14.801 -13.668 -34.483 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.984 -12.682 -35.679 1.00 0.00 H new ATOM 1506 N GLU A 93 -9.889 -13.278 -33.418 1.00 0.00 N ATOM 1507 CA GLU A 93 -8.580 -13.637 -32.883 1.00 0.00 C ATOM 1508 C GLU A 93 -8.367 -13.016 -31.502 1.00 0.00 C ATOM 1509 O GLU A 93 -7.869 -13.674 -30.584 1.00 0.00 O ATOM 1510 CB GLU A 93 -7.479 -13.173 -33.839 1.00 0.00 C ATOM 1511 CG GLU A 93 -7.536 -13.825 -35.212 1.00 0.00 C ATOM 1512 CD GLU A 93 -7.138 -15.287 -35.184 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -7.896 -16.106 -34.642 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -6.059 -15.621 -35.722 1.00 0.00 O1- ATOM 0 H GLU A 93 -9.855 -12.725 -34.275 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.536 -14.722 -32.783 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.548 -12.092 -33.959 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.509 -13.383 -33.389 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.547 -13.736 -35.610 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.877 -13.286 -35.893 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.767 -11.756 -31.359 1.00 0.00 N ATOM 1522 CA LEU A 94 -8.619 -11.038 -30.098 1.00 0.00 C ATOM 1523 C LEU A 94 -9.420 -11.706 -28.990 1.00 0.00 C ATOM 1524 O LEU A 94 -8.928 -11.873 -27.876 1.00 0.00 O ATOM 1525 CB LEU A 94 -9.054 -9.576 -30.247 1.00 0.00 C ATOM 1526 CG LEU A 94 -8.119 -8.675 -31.054 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -8.741 -7.302 -31.247 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -6.772 -8.553 -30.360 1.00 0.00 C ATOM 0 H LEU A 94 -9.198 -11.209 -32.105 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.563 -11.064 -29.828 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.038 -9.557 -30.716 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.167 -9.148 -29.251 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.965 -9.126 -32.034 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.063 -6.673 -31.823 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.685 -7.402 -31.782 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.922 -6.844 -30.274 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.117 -7.908 -30.947 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.911 -8.122 -29.368 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.320 -9.540 -30.267 1.00 0.00 H new ATOM 1540 N GLU A 95 -10.658 -12.082 -29.296 1.00 0.00 N ATOM 1541 CA GLU A 95 -11.511 -12.746 -28.318 1.00 0.00 C ATOM 1542 C GLU A 95 -10.929 -14.090 -27.888 1.00 0.00 C ATOM 1543 O GLU A 95 -11.006 -14.458 -26.718 1.00 0.00 O ATOM 1544 CB GLU A 95 -12.933 -12.923 -28.853 1.00 0.00 C ATOM 1545 CG GLU A 95 -13.685 -11.612 -29.030 1.00 0.00 C ATOM 1546 CD GLU A 95 -15.134 -11.816 -29.398 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -15.485 -11.638 -30.576 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -15.935 -12.161 -28.507 1.00 0.00 O1- ATOM 0 H GLU A 95 -11.091 -11.939 -30.209 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.555 -12.103 -27.439 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.890 -13.440 -29.812 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -13.492 -13.563 -28.171 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.627 -11.037 -28.106 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.198 -11.020 -29.805 1.00 0.00 H new ATOM 1555 N GLN A 96 -10.331 -14.812 -28.826 1.00 0.00 N ATOM 1556 CA GLN A 96 -9.728 -16.109 -28.521 1.00 0.00 C ATOM 1557 C GLN A 96 -8.508 -15.936 -27.626 1.00 0.00 C ATOM 1558 O GLN A 96 -8.332 -16.662 -26.653 1.00 0.00 O ATOM 1559 CB GLN A 96 -9.321 -16.825 -29.804 1.00 0.00 C ATOM 1560 CG GLN A 96 -10.485 -17.260 -30.671 1.00 0.00 C ATOM 1561 CD GLN A 96 -10.027 -17.743 -32.026 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -9.956 -16.836 -32.969 1.00 0.00 O flip ATOM 1563 NE2 GLN A 96 -9.739 -18.924 -32.216 1.00 0.00 N flip ATOM 0 H GLN A 96 -10.249 -14.526 -29.802 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.471 -16.710 -27.997 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.676 -16.166 -30.385 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.729 -17.702 -29.544 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -11.035 -18.056 -30.168 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -11.176 -16.426 -30.797 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.809 -19.595 -31.451 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.430 -19.232 -33.138 1.00 0.00 H new ATOM 1572 N ALA A 97 -7.684 -14.954 -27.957 1.00 0.00 N ATOM 1573 CA ALA A 97 -6.472 -14.683 -27.197 1.00 0.00 C ATOM 1574 C ALA A 97 -6.822 -14.175 -25.805 1.00 0.00 C ATOM 1575 O ALA A 97 -6.168 -14.525 -24.826 1.00 0.00 O ATOM 1576 CB ALA A 97 -5.596 -13.682 -27.936 1.00 0.00 C ATOM 0 H ALA A 97 -7.833 -14.329 -28.749 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.911 -15.611 -27.089 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.694 -13.490 -27.355 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.321 -14.088 -28.909 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.145 -12.750 -28.073 1.00 0.00 H new ATOM 1582 N LEU A 98 -7.882 -13.378 -25.727 1.00 0.00 N ATOM 1583 CA LEU A 98 -8.358 -12.829 -24.463 1.00 0.00 C ATOM 1584 C LEU A 98 -8.752 -13.960 -23.518 1.00 0.00 C ATOM 1585 O LEU A 98 -8.371 -13.975 -22.341 1.00 0.00 O ATOM 1586 CB LEU A 98 -9.588 -11.953 -24.734 1.00 0.00 C ATOM 1587 CG LEU A 98 -10.215 -11.270 -23.522 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -9.755 -9.828 -23.428 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -11.731 -11.349 -23.594 1.00 0.00 C ATOM 0 H LEU A 98 -8.434 -13.095 -26.536 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.565 -12.238 -24.005 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.307 -11.183 -25.453 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.349 -12.571 -25.210 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.888 -11.791 -22.622 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.212 -9.356 -22.558 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.670 -9.798 -23.329 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.052 -9.292 -24.329 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.163 -10.857 -22.722 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.079 -10.852 -24.500 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.040 -12.394 -23.611 1.00 0.00 H new ATOM 1601 N GLN A 99 -9.515 -14.900 -24.049 1.00 0.00 N ATOM 1602 CA GLN A 99 -9.970 -16.050 -23.288 1.00 0.00 C ATOM 1603 C GLN A 99 -8.810 -16.908 -22.800 1.00 0.00 C ATOM 1604 O GLN A 99 -8.841 -17.405 -21.675 1.00 0.00 O ATOM 1605 CB GLN A 99 -10.934 -16.893 -24.123 1.00 0.00 C ATOM 1606 CG GLN A 99 -12.225 -16.173 -24.473 1.00 0.00 C ATOM 1607 CD GLN A 99 -13.087 -16.957 -25.439 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -13.932 -17.752 -25.033 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -12.883 -16.733 -26.722 1.00 0.00 N ATOM 0 H GLN A 99 -9.836 -14.887 -25.017 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.491 -15.671 -22.409 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -10.435 -17.195 -25.044 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.173 -17.805 -23.576 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.790 -15.983 -23.560 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.988 -15.202 -24.909 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -12.171 -16.064 -27.016 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -13.437 -17.228 -27.421 1.00 0.00 H new ATOM 1618 N LYS A 100 -7.769 -17.055 -23.618 1.00 0.00 N ATOM 1619 CA LYS A 100 -6.636 -17.898 -23.263 1.00 0.00 C ATOM 1620 C LYS A 100 -5.843 -17.297 -22.111 1.00 0.00 C ATOM 1621 O LYS A 100 -5.463 -18.005 -21.170 1.00 0.00 O ATOM 1622 CB LYS A 100 -5.722 -18.079 -24.478 1.00 0.00 C ATOM 1623 CG LYS A 100 -6.367 -18.822 -25.636 1.00 0.00 C ATOM 1624 CD LYS A 100 -5.480 -18.798 -26.870 1.00 0.00 C ATOM 1625 CE LYS A 100 -6.136 -19.513 -28.039 1.00 0.00 C ATOM 1626 NZ LYS A 100 -5.331 -19.397 -29.281 1.00 0.00 N1+ ATOM 0 H LYS A 100 -7.690 -16.601 -24.528 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.021 -18.867 -22.945 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.399 -17.098 -24.825 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.827 -18.618 -24.168 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.561 -19.854 -25.345 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.331 -18.370 -25.869 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.267 -17.765 -27.147 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.525 -19.271 -26.642 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.271 -20.566 -27.791 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.128 -19.096 -28.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.813 -19.898 -30.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.223 -18.394 -29.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.393 -19.818 -29.127 1.00 0.00 H new ATOM 1640 N ILE A 101 -5.601 -15.992 -22.185 1.00 0.00 N ATOM 1641 CA ILE A 101 -4.846 -15.292 -21.155 1.00 0.00 C ATOM 1642 C ILE A 101 -5.549 -15.395 -19.812 1.00 0.00 C ATOM 1643 O ILE A 101 -4.921 -15.708 -18.794 1.00 0.00 O ATOM 1644 CB ILE A 101 -4.652 -13.801 -21.513 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -3.874 -13.670 -22.819 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -3.921 -13.071 -20.388 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -3.810 -12.258 -23.351 1.00 0.00 C ATOM 0 H ILE A 101 -5.919 -15.398 -22.951 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.867 -15.768 -21.092 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.634 -13.345 -21.641 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.859 -14.037 -22.665 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.334 -14.311 -23.571 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.793 -12.023 -20.657 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -4.504 -13.141 -19.470 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.943 -13.528 -20.233 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.241 -12.245 -24.281 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.820 -11.894 -23.538 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.322 -11.615 -22.618 1.00 0.00 H new ATOM 1659 N ARG A 102 -6.861 -15.147 -19.805 1.00 0.00 N ATOM 1660 CA ARG A 102 -7.633 -15.245 -18.577 1.00 0.00 C ATOM 1661 C ARG A 102 -7.550 -16.628 -17.982 1.00 0.00 C ATOM 1662 O ARG A 102 -7.413 -16.771 -16.775 1.00 0.00 O ATOM 1663 CB ARG A 102 -9.094 -14.874 -18.792 1.00 0.00 C ATOM 1664 CG ARG A 102 -9.348 -13.388 -18.895 1.00 0.00 C ATOM 1665 CD ARG A 102 -10.772 -13.057 -18.486 1.00 0.00 C ATOM 1666 NE ARG A 102 -11.054 -13.490 -17.109 1.00 0.00 N ATOM 1667 CZ ARG A 102 -11.478 -12.685 -16.123 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -11.750 -11.409 -16.365 1.00 0.00 N1+ ATOM 1669 NH2 ARG A 102 -11.647 -13.168 -14.898 1.00 0.00 N ATOM 0 H ARG A 102 -7.400 -14.880 -20.629 1.00 0.00 H new ATOM 0 HA ARG A 102 -7.193 -14.531 -17.881 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.449 -15.356 -19.703 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.684 -15.276 -17.968 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.647 -12.849 -18.258 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.171 -13.054 -19.917 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -10.935 -11.983 -18.571 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.469 -13.540 -19.170 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.917 -14.476 -16.887 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -11.637 -11.033 -17.307 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.072 -10.804 -15.610 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -11.454 -14.151 -14.706 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -11.969 -12.556 -14.148 1.00 0.00 H new ATOM 1683 N GLU A 103 -7.613 -17.646 -18.825 1.00 0.00 N ATOM 1684 CA GLU A 103 -7.547 -19.010 -18.343 1.00 0.00 C ATOM 1685 C GLU A 103 -6.240 -19.265 -17.618 1.00 0.00 C ATOM 1686 O GLU A 103 -6.237 -19.814 -16.529 1.00 0.00 O ATOM 1687 CB GLU A 103 -7.695 -20.008 -19.485 1.00 0.00 C ATOM 1688 CG GLU A 103 -9.096 -20.118 -20.052 1.00 0.00 C ATOM 1689 CD GLU A 103 -9.198 -21.228 -21.069 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -9.008 -22.405 -20.685 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -9.448 -20.941 -22.257 1.00 0.00 O1- ATOM 0 H GLU A 103 -7.709 -17.553 -19.836 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.375 -19.147 -17.648 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.014 -19.725 -20.288 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.382 -20.991 -19.133 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.803 -20.299 -19.243 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -9.377 -19.172 -20.515 1.00 0.00 H new ATOM 1698 N LEU A 104 -5.137 -18.841 -18.213 1.00 0.00 N ATOM 1699 CA LEU A 104 -3.817 -19.050 -17.629 1.00 0.00 C ATOM 1700 C LEU A 104 -3.626 -18.255 -16.338 1.00 0.00 C ATOM 1701 O LEU A 104 -3.069 -18.762 -15.361 1.00 0.00 O ATOM 1702 CB LEU A 104 -2.742 -18.657 -18.639 1.00 0.00 C ATOM 1703 CG LEU A 104 -2.706 -19.484 -19.923 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -1.638 -18.961 -20.858 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -2.474 -20.956 -19.612 1.00 0.00 C ATOM 0 H LEU A 104 -5.127 -18.347 -19.105 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.730 -20.107 -17.380 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.886 -17.610 -18.907 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.769 -18.731 -18.154 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.673 -19.391 -20.417 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.625 -19.561 -21.768 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.853 -17.923 -21.111 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.665 -19.022 -20.370 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.452 -21.525 -20.541 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.523 -21.073 -19.093 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.281 -21.326 -18.979 1.00 0.00 H new ATOM 1717 N ALA A 105 -4.080 -17.017 -16.336 1.00 0.00 N ATOM 1718 CA ALA A 105 -3.912 -16.145 -15.180 1.00 0.00 C ATOM 1719 C ALA A 105 -4.844 -16.530 -14.032 1.00 0.00 C ATOM 1720 O ALA A 105 -4.470 -16.446 -12.862 1.00 0.00 O ATOM 1721 CB ALA A 105 -4.141 -14.701 -15.581 1.00 0.00 C ATOM 0 H ALA A 105 -4.569 -16.588 -17.121 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.889 -16.264 -14.823 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -4.013 -14.057 -14.711 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.422 -14.419 -16.350 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -5.153 -14.588 -15.971 1.00 0.00 H new