USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 493 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 176:sc= -0.173 (180deg=-0.233) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 5:sc= 0.0171 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -2.22! C(o=-2.2!,f=-2!) USER MOD Single : A 44 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.1!) USER MOD Single : A 46 HIS : no HD1:sc= -0.16 K(o=-0.16,f=-0.77) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.72 X(o=-0.72,f=-0.27!) USER MOD Single : A 66 HIS :FLIP no HE2:sc= -0.413 F(o=-1.6,f=-0.41) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -1.351 -6.184 -17.430 1.00 0.00 N ATOM 67 CA ARG A 8 -2.564 -6.982 -17.295 1.00 0.00 C ATOM 68 C ARG A 8 -3.269 -7.132 -18.640 1.00 0.00 C ATOM 69 O ARG A 8 -3.033 -6.355 -19.564 1.00 0.00 O ATOM 70 CB ARG A 8 -3.512 -6.340 -16.279 1.00 0.00 C ATOM 71 CG ARG A 8 -3.081 -6.537 -14.835 1.00 0.00 C ATOM 72 CD ARG A 8 -3.900 -5.676 -13.887 1.00 0.00 C ATOM 73 NE ARG A 8 -3.214 -5.455 -12.617 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.558 -4.509 -11.751 1.00 0.00 C ATOM 75 NH1 ARG A 8 -4.575 -3.700 -12.016 1.00 0.00 N ATOM 76 NH2 ARG A 8 -2.885 -4.370 -10.616 1.00 0.00 N ATOM 0 HA ARG A 8 -2.279 -7.973 -16.941 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.583 -5.272 -16.486 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.510 -6.758 -16.412 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.190 -7.586 -14.561 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.024 -6.289 -14.732 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.108 -4.715 -14.358 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.861 -6.155 -13.701 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.427 -6.061 -12.382 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.095 -3.804 -12.887 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.837 -2.974 -11.349 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.102 -4.990 -10.408 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.150 -3.643 -9.952 1.00 0.00 H new ATOM 90 N GLU A 9 -4.134 -8.136 -18.740 1.00 0.00 N ATOM 91 CA GLU A 9 -4.871 -8.388 -19.973 1.00 0.00 C ATOM 92 C GLU A 9 -6.345 -8.657 -19.680 1.00 0.00 C ATOM 93 O GLU A 9 -6.700 -9.100 -18.588 1.00 0.00 O ATOM 94 CB GLU A 9 -4.264 -9.576 -20.723 1.00 0.00 C ATOM 95 CG GLU A 9 -2.767 -9.452 -20.949 1.00 0.00 C ATOM 96 CD GLU A 9 -2.429 -8.696 -22.219 1.00 0.00 C ATOM 97 OE1 GLU A 9 -2.948 -7.574 -22.397 1.00 0.00 O ATOM 98 OE2 GLU A 9 -1.647 -9.226 -23.036 1.00 0.00 O ATOM 0 H GLU A 9 -4.342 -8.788 -17.983 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.798 -7.498 -20.598 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.464 -10.489 -20.163 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.761 -9.679 -21.687 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.316 -8.943 -20.097 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.327 -10.448 -20.996 1.00 0.00 H new ATOM 105 N MET A 10 -7.196 -8.386 -20.663 1.00 0.00 N ATOM 106 CA MET A 10 -8.631 -8.598 -20.512 1.00 0.00 C ATOM 107 C MET A 10 -9.103 -9.758 -21.383 1.00 0.00 C ATOM 108 O MET A 10 -8.508 -10.051 -22.419 1.00 0.00 O ATOM 109 CB MET A 10 -9.398 -7.326 -20.876 1.00 0.00 C ATOM 110 CG MET A 10 -9.075 -6.143 -19.977 1.00 0.00 C ATOM 111 SD MET A 10 -7.701 -5.155 -20.598 1.00 0.00 S ATOM 112 CE MET A 10 -8.323 -3.498 -20.321 1.00 0.00 C ATOM 0 H MET A 10 -6.917 -8.019 -21.573 1.00 0.00 H new ATOM 0 HA MET A 10 -8.829 -8.846 -19.469 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.173 -7.059 -21.909 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.468 -7.529 -20.825 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.958 -5.511 -19.883 1.00 0.00 H new ATOM 0 HG3 MET A 10 -8.834 -6.506 -18.978 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.583 -2.771 -20.656 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.248 -3.358 -20.880 1.00 0.00 H new ATOM 0 HE3 MET A 10 -8.517 -3.355 -19.258 1.00 0.00 H new ATOM 122 N GLY A 11 -10.178 -10.415 -20.955 1.00 0.00 N ATOM 123 CA GLY A 11 -10.711 -11.535 -21.708 1.00 0.00 C ATOM 124 C GLY A 11 -12.095 -11.941 -21.241 1.00 0.00 C ATOM 125 O GLY A 11 -12.477 -11.674 -20.102 1.00 0.00 O ATOM 0 H GLY A 11 -10.688 -10.191 -20.101 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.750 -11.272 -22.765 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.036 -12.385 -21.615 1.00 0.00 H new ATOM 129 N VAL A 12 -12.850 -12.587 -22.124 1.00 0.00 N ATOM 130 CA VAL A 12 -14.200 -13.030 -21.797 1.00 0.00 C ATOM 131 C VAL A 12 -14.223 -14.516 -21.458 1.00 0.00 C ATOM 132 O VAL A 12 -13.596 -15.328 -22.140 1.00 0.00 O ATOM 133 CB VAL A 12 -15.175 -12.764 -22.959 1.00 0.00 C ATOM 134 CG1 VAL A 12 -15.380 -11.269 -23.152 1.00 0.00 C ATOM 135 CG2 VAL A 12 -14.668 -13.411 -24.239 1.00 0.00 C ATOM 0 H VAL A 12 -12.549 -12.815 -23.072 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.520 -12.457 -20.927 1.00 0.00 H new ATOM 0 HB VAL A 12 -16.138 -13.210 -22.711 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.072 -11.100 -23.977 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.791 -10.837 -22.240 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.424 -10.797 -23.378 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.369 -13.213 -25.049 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.692 -12.997 -24.494 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.578 -14.487 -24.092 1.00 0.00 H new ATOM 145 N ILE A 13 -14.950 -14.865 -20.402 1.00 0.00 N ATOM 146 CA ILE A 13 -15.056 -16.255 -19.974 1.00 0.00 C ATOM 147 C ILE A 13 -15.780 -17.098 -21.019 1.00 0.00 C ATOM 148 O ILE A 13 -16.929 -16.825 -21.363 1.00 0.00 O ATOM 149 CB ILE A 13 -15.799 -16.375 -18.630 1.00 0.00 C ATOM 150 CG1 ILE A 13 -15.020 -15.655 -17.527 1.00 0.00 C ATOM 151 CG2 ILE A 13 -16.009 -17.837 -18.270 1.00 0.00 C ATOM 152 CD1 ILE A 13 -13.540 -15.966 -17.531 1.00 0.00 C ATOM 0 H ILE A 13 -15.474 -14.205 -19.827 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.038 -16.626 -19.852 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.776 -15.902 -18.727 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -15.157 -14.580 -17.639 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -15.438 -15.930 -16.559 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.535 -17.905 -17.318 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.600 -18.322 -19.047 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -15.042 -18.334 -18.187 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.052 -15.421 -16.723 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -13.393 -17.037 -17.388 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.107 -15.665 -18.485 1.00 0.00 H new ATOM 164 N ALA A 14 -15.099 -18.124 -21.518 1.00 0.00 N ATOM 165 CA ALA A 14 -15.678 -19.010 -22.520 1.00 0.00 C ATOM 166 C ALA A 14 -16.290 -20.247 -21.871 1.00 0.00 C ATOM 167 O ALA A 14 -17.019 -21.001 -22.515 1.00 0.00 O ATOM 168 CB ALA A 14 -14.624 -19.414 -23.540 1.00 0.00 C ATOM 0 H ALA A 14 -14.146 -18.362 -21.245 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.474 -18.468 -23.031 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.071 -20.076 -24.282 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.236 -18.523 -24.034 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.809 -19.933 -23.035 1.00 0.00 H new ATOM 174 N ALA A 15 -15.988 -20.450 -20.593 1.00 0.00 N ATOM 175 CA ALA A 15 -16.510 -21.595 -19.857 1.00 0.00 C ATOM 176 C ALA A 15 -16.328 -21.411 -18.354 1.00 0.00 C ATOM 177 O ALA A 15 -15.510 -20.605 -17.913 1.00 0.00 O ATOM 178 CB ALA A 15 -15.829 -22.875 -20.320 1.00 0.00 C ATOM 0 H ALA A 15 -15.384 -19.836 -20.046 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.578 -21.670 -20.061 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.228 -23.722 -19.762 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.015 -23.021 -21.384 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.756 -22.800 -20.146 1.00 0.00 H new ATOM 184 N MET A 16 -17.097 -22.164 -17.574 1.00 0.00 N ATOM 185 CA MET A 16 -17.020 -22.083 -16.120 1.00 0.00 C ATOM 186 C MET A 16 -17.183 -23.463 -15.489 1.00 0.00 C ATOM 187 O MET A 16 -17.842 -23.611 -14.460 1.00 0.00 O ATOM 188 CB MET A 16 -18.093 -21.134 -15.583 1.00 0.00 C ATOM 189 CG MET A 16 -17.797 -19.668 -15.853 1.00 0.00 C ATOM 190 SD MET A 16 -19.015 -18.565 -15.108 1.00 0.00 S ATOM 191 CE MET A 16 -18.522 -18.629 -13.388 1.00 0.00 C ATOM 0 H MET A 16 -17.780 -22.836 -17.924 1.00 0.00 H new ATOM 0 HA MET A 16 -16.037 -21.695 -15.854 1.00 0.00 H new ATOM 0 HB2 MET A 16 -19.052 -21.391 -16.032 1.00 0.00 H new ATOM 0 HB3 MET A 16 -18.194 -21.284 -14.508 1.00 0.00 H new ATOM 0 HG2 MET A 16 -16.807 -19.424 -15.467 1.00 0.00 H new ATOM 0 HG3 MET A 16 -17.770 -19.499 -16.929 1.00 0.00 H new ATOM 0 HE1 MET A 16 -19.137 -17.941 -12.807 1.00 0.00 H new ATOM 0 HE2 MET A 16 -18.654 -19.642 -13.009 1.00 0.00 H new ATOM 0 HE3 MET A 16 -17.474 -18.342 -13.299 1.00 0.00 H new ATOM 201 N ARG A 17 -16.579 -24.469 -16.113 1.00 0.00 N ATOM 202 CA ARG A 17 -16.659 -25.836 -15.614 1.00 0.00 C ATOM 203 C ARG A 17 -16.553 -25.865 -14.092 1.00 0.00 C ATOM 204 O ARG A 17 -16.022 -24.940 -13.478 1.00 0.00 O ATOM 205 CB ARG A 17 -15.550 -26.692 -16.229 1.00 0.00 C ATOM 206 CG ARG A 17 -15.626 -26.788 -17.744 1.00 0.00 C ATOM 207 CD ARG A 17 -16.831 -27.602 -18.191 1.00 0.00 C ATOM 208 NE ARG A 17 -18.071 -26.837 -18.102 1.00 0.00 N ATOM 209 CZ ARG A 17 -18.421 -25.900 -18.977 1.00 0.00 C ATOM 210 NH1 ARG A 17 -17.629 -25.615 -20.001 1.00 0.00 N ATOM 211 NH2 ARG A 17 -19.567 -25.247 -18.829 1.00 0.00 N ATOM 0 H ARG A 17 -16.029 -24.363 -16.965 1.00 0.00 H new ATOM 0 HA ARG A 17 -17.627 -26.246 -15.902 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -14.583 -26.276 -15.948 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -15.600 -27.696 -15.807 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.683 -25.787 -18.171 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.714 -27.246 -18.127 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.683 -27.934 -19.218 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.912 -28.497 -17.575 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.703 -27.032 -17.326 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.748 -26.115 -20.119 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.901 -24.895 -20.671 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -20.180 -25.464 -18.043 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -19.835 -24.528 -19.501 1.00 0.00 H new ATOM 225 N ASP A 18 -17.062 -26.934 -13.489 1.00 0.00 N ATOM 226 CA ASP A 18 -17.025 -27.085 -12.039 1.00 0.00 C ATOM 227 C ASP A 18 -15.592 -27.270 -11.549 1.00 0.00 C ATOM 228 O ASP A 18 -15.125 -28.395 -11.374 1.00 0.00 O ATOM 229 CB ASP A 18 -17.882 -28.275 -11.607 1.00 0.00 C ATOM 230 CG ASP A 18 -19.362 -27.945 -11.584 1.00 0.00 C ATOM 231 OD1 ASP A 18 -19.702 -26.756 -11.409 1.00 0.00 O ATOM 232 OD2 ASP A 18 -20.180 -28.875 -11.742 1.00 0.00 O ATOM 0 H ASP A 18 -17.505 -27.709 -13.982 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.428 -26.176 -11.593 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -17.709 -29.109 -12.287 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -17.570 -28.602 -10.615 1.00 0.00 H new ATOM 237 N GLY A 19 -14.898 -26.157 -11.330 1.00 0.00 N ATOM 238 CA GLY A 19 -13.526 -26.218 -10.863 1.00 0.00 C ATOM 239 C GLY A 19 -12.616 -25.262 -11.609 1.00 0.00 C ATOM 240 O GLY A 19 -11.727 -24.650 -11.017 1.00 0.00 O ATOM 0 H GLY A 19 -15.262 -25.214 -11.468 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.497 -25.986 -9.798 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.151 -27.235 -10.978 1.00 0.00 H new ATOM 244 N PHE A 20 -12.837 -25.134 -12.914 1.00 0.00 N ATOM 245 CA PHE A 20 -12.029 -24.248 -13.743 1.00 0.00 C ATOM 246 C PHE A 20 -12.815 -23.777 -14.963 1.00 0.00 C ATOM 247 O PHE A 20 -13.912 -24.265 -15.234 1.00 0.00 O ATOM 248 CB PHE A 20 -10.750 -24.959 -14.190 1.00 0.00 C ATOM 249 CG PHE A 20 -10.971 -25.953 -15.294 1.00 0.00 C ATOM 250 CD1 PHE A 20 -11.558 -27.180 -15.032 1.00 0.00 C ATOM 251 CD2 PHE A 20 -10.592 -25.659 -16.594 1.00 0.00 C ATOM 252 CE1 PHE A 20 -11.761 -28.097 -16.046 1.00 0.00 C ATOM 253 CE2 PHE A 20 -10.793 -26.572 -17.612 1.00 0.00 C ATOM 254 CZ PHE A 20 -11.380 -27.792 -17.338 1.00 0.00 C ATOM 0 H PHE A 20 -13.569 -25.633 -13.419 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.762 -23.376 -13.146 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -10.027 -24.214 -14.522 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.310 -25.471 -13.334 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -11.860 -27.423 -14.024 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.134 -24.706 -16.814 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -12.217 -29.051 -15.828 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -10.491 -26.332 -18.621 1.00 0.00 H new ATOM 0 HZ PHE A 20 -11.541 -28.506 -18.132 1.00 0.00 H new ATOM 264 N GLY A 21 -12.246 -22.824 -15.695 1.00 0.00 N ATOM 265 CA GLY A 21 -12.907 -22.302 -16.877 1.00 0.00 C ATOM 266 C GLY A 21 -11.926 -21.884 -17.953 1.00 0.00 C ATOM 267 O GLY A 21 -10.777 -22.328 -17.963 1.00 0.00 O ATOM 0 H GLY A 21 -11.339 -22.404 -15.491 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.580 -23.060 -17.278 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.521 -21.446 -16.598 1.00 0.00 H new ATOM 271 N PHE A 22 -12.377 -21.028 -18.863 1.00 0.00 N ATOM 272 CA PHE A 22 -11.531 -20.551 -19.951 1.00 0.00 C ATOM 273 C PHE A 22 -11.725 -19.054 -20.175 1.00 0.00 C ATOM 274 O PHE A 22 -12.756 -18.489 -19.807 1.00 0.00 O ATOM 275 CB PHE A 22 -11.841 -21.316 -21.239 1.00 0.00 C ATOM 276 CG PHE A 22 -11.425 -22.758 -21.196 1.00 0.00 C ATOM 277 CD1 PHE A 22 -10.164 -23.115 -20.743 1.00 0.00 C ATOM 278 CD2 PHE A 22 -12.292 -23.756 -21.607 1.00 0.00 C ATOM 279 CE1 PHE A 22 -9.778 -24.442 -20.701 1.00 0.00 C ATOM 280 CE2 PHE A 22 -11.912 -25.084 -21.567 1.00 0.00 C ATOM 281 CZ PHE A 22 -10.652 -25.427 -21.115 1.00 0.00 C ATOM 0 H PHE A 22 -13.324 -20.650 -18.869 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.492 -20.727 -19.674 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -12.912 -21.261 -21.436 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.338 -20.826 -22.073 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -9.476 -22.348 -20.419 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -13.277 -23.493 -21.963 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.794 -24.708 -20.345 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -12.599 -25.853 -21.889 1.00 0.00 H new ATOM 0 HZ PHE A 22 -10.352 -26.464 -21.086 1.00 0.00 H new ATOM 291 N ILE A 23 -10.728 -18.418 -20.781 1.00 0.00 N ATOM 292 CA ILE A 23 -10.789 -16.988 -21.055 1.00 0.00 C ATOM 293 C ILE A 23 -10.191 -16.664 -22.419 1.00 0.00 C ATOM 294 O ILE A 23 -8.987 -16.809 -22.632 1.00 0.00 O ATOM 295 CB ILE A 23 -10.048 -16.176 -19.976 1.00 0.00 C ATOM 296 CG1 ILE A 23 -10.274 -16.796 -18.595 1.00 0.00 C ATOM 297 CG2 ILE A 23 -10.510 -14.727 -19.993 1.00 0.00 C ATOM 298 CD1 ILE A 23 -9.319 -16.284 -17.540 1.00 0.00 C ATOM 0 H ILE A 23 -9.868 -18.871 -21.092 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.843 -16.710 -21.048 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.980 -16.199 -20.194 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.297 -16.593 -18.277 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.173 -17.879 -18.671 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.977 -14.166 -19.225 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.303 -14.291 -20.970 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.581 -14.684 -19.796 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.537 -16.766 -16.587 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.295 -16.511 -17.835 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.436 -15.205 -17.436 1.00 0.00 H new ATOM 310 N LYS A 24 -11.039 -16.222 -23.341 1.00 0.00 N ATOM 311 CA LYS A 24 -10.596 -15.873 -24.686 1.00 0.00 C ATOM 312 C LYS A 24 -9.949 -14.492 -24.704 1.00 0.00 C ATOM 313 O LYS A 24 -10.604 -13.493 -25.003 1.00 0.00 O ATOM 314 CB LYS A 24 -11.776 -15.908 -25.660 1.00 0.00 C ATOM 315 CG LYS A 24 -11.408 -15.499 -27.076 1.00 0.00 C ATOM 316 CD LYS A 24 -12.164 -16.320 -28.107 1.00 0.00 C ATOM 317 CE LYS A 24 -13.590 -15.820 -28.282 1.00 0.00 C ATOM 318 NZ LYS A 24 -14.065 -15.979 -29.684 1.00 0.00 N ATOM 0 H LYS A 24 -12.039 -16.097 -23.181 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.854 -16.607 -24.999 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.192 -16.916 -25.678 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.560 -15.246 -25.292 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.628 -14.441 -27.219 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.336 -15.624 -27.225 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.642 -16.275 -29.063 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.179 -17.366 -27.801 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.252 -16.367 -27.610 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.644 -14.769 -27.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.040 -15.627 -29.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.449 -15.437 -30.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.038 -16.985 -29.948 1.00 0.00 H new ATOM 332 N CYS A 25 -8.661 -14.443 -24.384 1.00 0.00 N ATOM 333 CA CYS A 25 -7.925 -13.183 -24.364 1.00 0.00 C ATOM 334 C CYS A 25 -8.073 -12.446 -25.691 1.00 0.00 C ATOM 335 O CYS A 25 -8.163 -13.066 -26.751 1.00 0.00 O ATOM 336 CB CYS A 25 -6.446 -13.437 -24.070 1.00 0.00 C ATOM 337 SG CYS A 25 -5.647 -12.126 -23.115 1.00 0.00 S ATOM 0 H CYS A 25 -8.104 -15.261 -24.135 1.00 0.00 H new ATOM 0 HA CYS A 25 -8.343 -12.559 -23.574 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.351 -14.377 -23.527 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.915 -13.559 -25.014 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.535 -11.246 -22.758 1.00 0.00 H new ATOM 343 N VAL A 26 -8.100 -11.119 -25.625 1.00 0.00 N ATOM 344 CA VAL A 26 -8.238 -10.297 -26.821 1.00 0.00 C ATOM 345 C VAL A 26 -6.940 -10.267 -27.621 1.00 0.00 C ATOM 346 O VAL A 26 -6.958 -10.188 -28.849 1.00 0.00 O ATOM 347 CB VAL A 26 -8.643 -8.854 -26.467 1.00 0.00 C ATOM 348 CG1 VAL A 26 -8.647 -7.979 -27.711 1.00 0.00 C ATOM 349 CG2 VAL A 26 -10.004 -8.834 -25.787 1.00 0.00 C ATOM 0 H VAL A 26 -8.028 -10.590 -24.756 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.024 -10.749 -27.426 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.908 -8.450 -25.771 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.936 -6.963 -27.440 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.650 -7.968 -28.151 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.358 -8.378 -28.434 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.274 -7.806 -25.544 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.752 -9.257 -26.458 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.962 -9.424 -24.872 1.00 0.00 H new ATOM 359 N ASP A 27 -5.816 -10.332 -26.916 1.00 0.00 N ATOM 360 CA ASP A 27 -4.508 -10.314 -27.560 1.00 0.00 C ATOM 361 C ASP A 27 -4.087 -11.721 -27.973 1.00 0.00 C ATOM 362 O ASP A 27 -3.526 -11.920 -29.050 1.00 0.00 O ATOM 363 CB ASP A 27 -3.462 -9.710 -26.621 1.00 0.00 C ATOM 364 CG ASP A 27 -2.279 -9.129 -27.370 1.00 0.00 C ATOM 365 OD1 ASP A 27 -1.404 -9.911 -27.794 1.00 0.00 O ATOM 366 OD2 ASP A 27 -2.229 -7.891 -27.531 1.00 0.00 O ATOM 0 H ASP A 27 -5.784 -10.398 -25.899 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.579 -9.698 -28.456 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.926 -8.929 -26.019 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.110 -10.478 -25.931 1.00 0.00 H new ATOM 371 N ARG A 28 -4.360 -12.693 -27.108 1.00 0.00 N ATOM 372 CA ARG A 28 -4.007 -14.081 -27.383 1.00 0.00 C ATOM 373 C ARG A 28 -5.246 -14.896 -27.741 1.00 0.00 C ATOM 374 O ARG A 28 -6.314 -14.711 -27.156 1.00 0.00 O ATOM 375 CB ARG A 28 -3.308 -14.701 -26.171 1.00 0.00 C ATOM 376 CG ARG A 28 -1.830 -14.358 -26.079 1.00 0.00 C ATOM 377 CD ARG A 28 -1.012 -15.544 -25.593 1.00 0.00 C ATOM 378 NE ARG A 28 0.402 -15.410 -25.933 1.00 0.00 N ATOM 379 CZ ARG A 28 1.268 -14.706 -25.212 1.00 0.00 C ATOM 380 NH1 ARG A 28 0.866 -14.077 -24.116 1.00 0.00 N ATOM 381 NH2 ARG A 28 2.539 -14.632 -25.587 1.00 0.00 N ATOM 0 H ARG A 28 -4.824 -12.545 -26.212 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.326 -14.095 -28.234 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.808 -14.364 -25.263 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.419 -15.785 -26.213 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.467 -14.041 -27.057 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.692 -13.517 -25.400 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.118 -15.639 -24.512 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.405 -16.460 -26.033 1.00 0.00 H new ATOM 0 HE ARG A 28 0.743 -15.883 -26.770 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.110 -14.133 -23.825 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.533 -13.537 -23.564 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.851 -15.116 -26.429 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.203 -14.091 -25.033 1.00 0.00 H new ATOM 395 N ASP A 29 -5.096 -15.798 -28.704 1.00 0.00 N ATOM 396 CA ASP A 29 -6.202 -16.642 -29.140 1.00 0.00 C ATOM 397 C ASP A 29 -6.169 -17.991 -28.429 1.00 0.00 C ATOM 398 O ASP A 29 -6.627 -19.000 -28.967 1.00 0.00 O ATOM 399 CB ASP A 29 -6.148 -16.849 -30.655 1.00 0.00 C ATOM 400 CG ASP A 29 -6.934 -15.796 -31.411 1.00 0.00 C ATOM 401 OD1 ASP A 29 -6.375 -14.709 -31.668 1.00 0.00 O ATOM 402 OD2 ASP A 29 -8.107 -16.059 -31.747 1.00 0.00 O ATOM 0 H ASP A 29 -4.219 -15.964 -29.198 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.134 -16.138 -28.883 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.109 -16.829 -30.985 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.541 -17.836 -30.898 1.00 0.00 H new ATOM 407 N VAL A 30 -5.624 -18.002 -27.217 1.00 0.00 N ATOM 408 CA VAL A 30 -5.532 -19.227 -26.431 1.00 0.00 C ATOM 409 C VAL A 30 -6.223 -19.069 -25.082 1.00 0.00 C ATOM 410 O VAL A 30 -6.070 -18.048 -24.411 1.00 0.00 O ATOM 411 CB VAL A 30 -4.064 -19.635 -26.199 1.00 0.00 C ATOM 412 CG1 VAL A 30 -3.428 -20.103 -27.499 1.00 0.00 C ATOM 413 CG2 VAL A 30 -3.279 -18.480 -25.597 1.00 0.00 C ATOM 0 H VAL A 30 -5.239 -17.176 -26.758 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.034 -20.008 -27.003 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.043 -20.465 -25.493 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.392 -20.387 -27.316 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.977 -20.962 -27.884 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.459 -19.296 -28.231 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.245 -18.786 -25.440 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.306 -17.628 -26.277 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.723 -18.197 -24.642 1.00 0.00 H new ATOM 423 N ARG A 31 -6.984 -20.085 -24.690 1.00 0.00 N ATOM 424 CA ARG A 31 -7.700 -20.059 -23.420 1.00 0.00 C ATOM 425 C ARG A 31 -6.730 -19.905 -22.252 1.00 0.00 C ATOM 426 O ARG A 31 -5.658 -20.509 -22.239 1.00 0.00 O ATOM 427 CB ARG A 31 -8.523 -21.336 -23.248 1.00 0.00 C ATOM 428 CG ARG A 31 -9.676 -21.455 -24.231 1.00 0.00 C ATOM 429 CD ARG A 31 -10.229 -22.871 -24.273 1.00 0.00 C ATOM 430 NE ARG A 31 -10.072 -23.480 -25.591 1.00 0.00 N ATOM 431 CZ ARG A 31 -10.708 -23.057 -26.677 1.00 0.00 C ATOM 432 NH1 ARG A 31 -11.540 -22.027 -26.604 1.00 0.00 N ATOM 433 NH2 ARG A 31 -10.513 -23.663 -27.841 1.00 0.00 N ATOM 0 H ARG A 31 -7.121 -20.937 -25.234 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.372 -19.200 -23.428 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.867 -22.199 -23.364 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.918 -21.370 -22.232 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.469 -20.762 -23.949 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.338 -21.165 -25.226 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.719 -23.482 -23.528 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.285 -22.856 -24.004 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.439 -24.274 -25.682 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.693 -21.557 -25.712 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.027 -21.705 -27.440 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.874 -24.455 -27.903 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.003 -23.337 -28.674 1.00 0.00 H new ATOM 447 N MET A 32 -7.114 -19.091 -21.274 1.00 0.00 N ATOM 448 CA MET A 32 -6.279 -18.859 -20.101 1.00 0.00 C ATOM 449 C MET A 32 -6.772 -19.676 -18.912 1.00 0.00 C ATOM 450 O MET A 32 -7.547 -19.188 -18.089 1.00 0.00 O ATOM 451 CB MET A 32 -6.268 -17.371 -19.744 1.00 0.00 C ATOM 452 CG MET A 32 -5.413 -17.044 -18.530 1.00 0.00 C ATOM 453 SD MET A 32 -3.947 -16.082 -18.952 1.00 0.00 S ATOM 454 CE MET A 32 -2.648 -17.181 -18.392 1.00 0.00 C ATOM 0 H MET A 32 -7.998 -18.581 -21.270 1.00 0.00 H new ATOM 0 HA MET A 32 -5.264 -19.176 -20.340 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.902 -16.803 -20.599 1.00 0.00 H new ATOM 0 HB3 MET A 32 -7.291 -17.043 -19.557 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.012 -16.489 -17.808 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.107 -17.971 -18.045 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.677 -16.725 -18.585 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.759 -17.360 -17.323 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.717 -18.128 -18.927 1.00 0.00 H new ATOM 464 N PHE A 33 -6.318 -20.922 -18.827 1.00 0.00 N ATOM 465 CA PHE A 33 -6.714 -21.808 -17.738 1.00 0.00 C ATOM 466 C PHE A 33 -6.638 -21.086 -16.395 1.00 0.00 C ATOM 467 O PHE A 33 -5.556 -20.724 -15.933 1.00 0.00 O ATOM 468 CB PHE A 33 -5.822 -23.051 -17.713 1.00 0.00 C ATOM 469 CG PHE A 33 -6.583 -24.330 -17.511 1.00 0.00 C ATOM 470 CD1 PHE A 33 -7.111 -24.649 -16.270 1.00 0.00 C ATOM 471 CD2 PHE A 33 -6.769 -25.214 -18.561 1.00 0.00 C ATOM 472 CE1 PHE A 33 -7.812 -25.825 -16.081 1.00 0.00 C ATOM 473 CE2 PHE A 33 -7.469 -26.392 -18.378 1.00 0.00 C ATOM 474 CZ PHE A 33 -7.990 -26.698 -17.136 1.00 0.00 C ATOM 0 H PHE A 33 -5.675 -21.341 -19.499 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.746 -22.114 -17.909 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -5.269 -23.111 -18.650 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.087 -22.945 -16.915 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.973 -23.971 -15.441 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.362 -24.980 -19.534 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.220 -26.061 -15.109 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.608 -27.072 -19.205 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.536 -27.619 -16.990 1.00 0.00 H new ATOM 484 N PHE A 34 -7.795 -20.882 -15.774 1.00 0.00 N ATOM 485 CA PHE A 34 -7.861 -20.202 -14.486 1.00 0.00 C ATOM 486 C PHE A 34 -8.672 -21.018 -13.482 1.00 0.00 C ATOM 487 O PHE A 34 -9.525 -21.820 -13.862 1.00 0.00 O ATOM 488 CB PHE A 34 -8.480 -18.813 -14.649 1.00 0.00 C ATOM 489 CG PHE A 34 -9.961 -18.841 -14.894 1.00 0.00 C ATOM 490 CD1 PHE A 34 -10.462 -18.939 -16.183 1.00 0.00 C ATOM 491 CD2 PHE A 34 -10.854 -18.769 -13.837 1.00 0.00 C ATOM 492 CE1 PHE A 34 -11.825 -18.965 -16.412 1.00 0.00 C ATOM 493 CE2 PHE A 34 -12.217 -18.796 -14.060 1.00 0.00 C ATOM 494 CZ PHE A 34 -12.703 -18.893 -15.349 1.00 0.00 C ATOM 0 H PHE A 34 -8.699 -21.178 -16.142 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.845 -20.096 -14.107 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.279 -18.227 -13.752 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.992 -18.302 -15.479 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.779 -18.996 -17.018 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.480 -18.691 -12.827 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -12.202 -19.042 -17.421 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.902 -18.741 -13.227 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.768 -18.913 -15.525 1.00 0.00 H new ATOM 504 N HIS A 35 -8.398 -20.806 -12.199 1.00 0.00 N ATOM 505 CA HIS A 35 -9.101 -21.521 -11.139 1.00 0.00 C ATOM 506 C HIS A 35 -10.066 -20.594 -10.406 1.00 0.00 C ATOM 507 O HIS A 35 -9.879 -19.377 -10.387 1.00 0.00 O ATOM 508 CB HIS A 35 -8.102 -22.122 -10.151 1.00 0.00 C ATOM 509 CG HIS A 35 -7.239 -23.191 -10.747 1.00 0.00 C ATOM 510 ND1 HIS A 35 -7.621 -24.514 -10.821 1.00 0.00 N ATOM 511 CD2 HIS A 35 -6.006 -23.126 -11.301 1.00 0.00 C ATOM 512 CE1 HIS A 35 -6.660 -25.216 -11.393 1.00 0.00 C ATOM 513 NE2 HIS A 35 -5.668 -24.397 -11.695 1.00 0.00 N ATOM 0 H HIS A 35 -7.695 -20.145 -11.868 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.676 -22.326 -11.597 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.465 -21.327 -9.762 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.647 -22.537 -9.303 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.400 -22.239 -11.413 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.681 -26.279 -11.582 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.794 -24.665 -12.147 1.00 0.00 H new ATOM 521 N PHE A 36 -11.097 -21.177 -9.804 1.00 0.00 N ATOM 522 CA PHE A 36 -12.092 -20.403 -9.070 1.00 0.00 C ATOM 523 C PHE A 36 -11.590 -20.060 -7.670 1.00 0.00 C ATOM 524 O PHE A 36 -12.334 -20.150 -6.694 1.00 0.00 O ATOM 525 CB PHE A 36 -13.407 -21.180 -8.977 1.00 0.00 C ATOM 526 CG PHE A 36 -14.267 -21.050 -10.201 1.00 0.00 C ATOM 527 CD1 PHE A 36 -15.188 -20.020 -10.311 1.00 0.00 C ATOM 528 CD2 PHE A 36 -14.157 -21.958 -11.242 1.00 0.00 C ATOM 529 CE1 PHE A 36 -15.981 -19.897 -11.436 1.00 0.00 C ATOM 530 CE2 PHE A 36 -14.947 -21.840 -12.369 1.00 0.00 C ATOM 531 CZ PHE A 36 -15.861 -20.809 -12.466 1.00 0.00 C ATOM 0 H PHE A 36 -11.266 -22.183 -9.810 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.265 -19.474 -9.612 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -13.186 -22.234 -8.808 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -13.967 -20.829 -8.110 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -15.287 -19.305 -9.508 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -13.445 -22.767 -11.171 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -16.694 -19.089 -11.510 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -14.850 -22.554 -13.174 1.00 0.00 H new ATOM 0 HZ PHE A 36 -16.481 -20.716 -13.346 1.00 0.00 H new ATOM 541 N SER A 37 -10.323 -19.667 -7.582 1.00 0.00 N ATOM 542 CA SER A 37 -9.720 -19.315 -6.302 1.00 0.00 C ATOM 543 C SER A 37 -9.144 -17.904 -6.343 1.00 0.00 C ATOM 544 O SER A 37 -8.977 -17.260 -5.308 1.00 0.00 O ATOM 545 CB SER A 37 -8.622 -20.317 -5.939 1.00 0.00 C ATOM 546 OG SER A 37 -9.117 -21.327 -5.078 1.00 0.00 O ATOM 0 H SER A 37 -9.695 -19.584 -8.381 1.00 0.00 H new ATOM 0 HA SER A 37 -10.498 -19.348 -5.540 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.225 -20.771 -6.847 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.795 -19.796 -5.456 1.00 0.00 H new ATOM 0 HG SER A 37 -8.396 -21.955 -4.863 1.00 0.00 H new ATOM 552 N GLU A 38 -8.841 -17.430 -7.547 1.00 0.00 N ATOM 553 CA GLU A 38 -8.282 -16.094 -7.724 1.00 0.00 C ATOM 554 C GLU A 38 -9.390 -15.054 -7.854 1.00 0.00 C ATOM 555 O GLU A 38 -9.142 -13.852 -7.750 1.00 0.00 O ATOM 556 CB GLU A 38 -7.381 -16.054 -8.960 1.00 0.00 C ATOM 557 CG GLU A 38 -6.222 -17.034 -8.901 1.00 0.00 C ATOM 558 CD GLU A 38 -5.668 -17.199 -7.499 1.00 0.00 C ATOM 559 OE1 GLU A 38 -6.373 -17.779 -6.647 1.00 0.00 O ATOM 560 OE2 GLU A 38 -4.530 -16.748 -7.253 1.00 0.00 O ATOM 0 H GLU A 38 -8.973 -17.950 -8.414 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.687 -15.857 -6.842 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.982 -16.268 -9.844 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.987 -15.045 -9.079 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.552 -18.004 -9.274 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.427 -16.691 -9.564 1.00 0.00 H new ATOM 567 N ILE A 39 -10.611 -15.524 -8.084 1.00 0.00 N ATOM 568 CA ILE A 39 -11.757 -14.635 -8.228 1.00 0.00 C ATOM 569 C ILE A 39 -12.130 -13.998 -6.894 1.00 0.00 C ATOM 570 O ILE A 39 -13.080 -13.218 -6.809 1.00 0.00 O ATOM 571 CB ILE A 39 -12.982 -15.382 -8.788 1.00 0.00 C ATOM 572 CG1 ILE A 39 -12.599 -16.163 -10.046 1.00 0.00 C ATOM 573 CG2 ILE A 39 -14.108 -14.403 -9.088 1.00 0.00 C ATOM 574 CD1 ILE A 39 -13.647 -17.164 -10.478 1.00 0.00 C ATOM 0 H ILE A 39 -10.832 -16.516 -8.175 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.465 -13.855 -8.931 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.332 -16.089 -8.036 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.422 -15.460 -10.860 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.660 -16.687 -9.867 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -14.967 -14.946 -9.483 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.395 -13.887 -8.172 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.770 -13.674 -9.824 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.308 -17.681 -11.376 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -13.808 -17.890 -9.681 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.581 -16.644 -10.689 1.00 0.00 H new ATOM 586 N LEU A 40 -11.376 -14.334 -5.853 1.00 0.00 N ATOM 587 CA LEU A 40 -11.626 -13.794 -4.521 1.00 0.00 C ATOM 588 C LEU A 40 -11.687 -12.270 -4.554 1.00 0.00 C ATOM 589 O LEU A 40 -12.277 -11.643 -3.674 1.00 0.00 O ATOM 590 CB LEU A 40 -10.535 -14.251 -3.551 1.00 0.00 C ATOM 591 CG LEU A 40 -9.095 -14.108 -4.044 1.00 0.00 C ATOM 592 CD1 LEU A 40 -8.690 -12.642 -4.092 1.00 0.00 C ATOM 593 CD2 LEU A 40 -8.146 -14.897 -3.155 1.00 0.00 C ATOM 0 H LEU A 40 -10.587 -14.978 -5.906 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.590 -14.171 -4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.639 -13.684 -2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.711 -15.298 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.035 -14.513 -5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.662 -12.560 -4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.351 -12.104 -4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.766 -12.211 -3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.126 -14.784 -3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.209 -14.523 -2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.423 -15.951 -3.173 1.00 0.00 H new ATOM 605 N ASP A 41 -11.075 -11.681 -5.575 1.00 0.00 N ATOM 606 CA ASP A 41 -11.062 -10.230 -5.726 1.00 0.00 C ATOM 607 C ASP A 41 -12.428 -9.637 -5.395 1.00 0.00 C ATOM 608 O ASP A 41 -12.532 -8.481 -4.987 1.00 0.00 O ATOM 609 CB ASP A 41 -10.657 -9.847 -7.150 1.00 0.00 C ATOM 610 CG ASP A 41 -9.685 -8.685 -7.183 1.00 0.00 C ATOM 611 OD1 ASP A 41 -8.472 -8.920 -7.001 1.00 0.00 O ATOM 612 OD2 ASP A 41 -10.136 -7.540 -7.393 1.00 0.00 O ATOM 0 H ASP A 41 -10.581 -12.186 -6.311 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.331 -9.824 -5.028 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.205 -10.709 -7.640 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.549 -9.587 -7.721 1.00 0.00 H new ATOM 617 N GLY A 42 -13.474 -10.438 -5.574 1.00 0.00 N ATOM 618 CA GLY A 42 -14.820 -9.975 -5.291 1.00 0.00 C ATOM 619 C GLY A 42 -15.625 -9.727 -6.551 1.00 0.00 C ATOM 620 O GLY A 42 -15.593 -8.632 -7.110 1.00 0.00 O ATOM 0 H GLY A 42 -13.413 -11.399 -5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.333 -10.714 -4.675 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.769 -9.055 -4.709 1.00 0.00 H new ATOM 624 N ASN A 43 -16.348 -10.748 -7.000 1.00 0.00 N ATOM 625 CA ASN A 43 -17.163 -10.636 -8.204 1.00 0.00 C ATOM 626 C ASN A 43 -17.694 -12.002 -8.630 1.00 0.00 C ATOM 627 O ASN A 43 -16.979 -13.002 -8.571 1.00 0.00 O ATOM 628 CB ASN A 43 -16.348 -10.016 -9.341 1.00 0.00 C ATOM 629 CG ASN A 43 -16.671 -8.549 -9.550 1.00 0.00 C ATOM 630 OD1 ASN A 43 -17.832 -8.176 -9.721 1.00 0.00 O ATOM 631 ND2 ASN A 43 -15.643 -7.709 -9.537 1.00 0.00 N ATOM 0 H ASN A 43 -16.386 -11.662 -6.548 1.00 0.00 H new ATOM 0 HA ASN A 43 -18.011 -9.989 -7.980 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -15.285 -10.124 -9.124 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -16.542 -10.563 -10.264 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -15.799 -6.710 -9.672 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.697 -8.063 -9.392 1.00 0.00 H new ATOM 638 N GLN A 44 -18.951 -12.034 -9.060 1.00 0.00 N ATOM 639 CA GLN A 44 -19.578 -13.276 -9.495 1.00 0.00 C ATOM 640 C GLN A 44 -19.472 -13.438 -11.008 1.00 0.00 C ATOM 641 O GLN A 44 -20.324 -12.956 -11.756 1.00 0.00 O ATOM 642 CB GLN A 44 -21.046 -13.308 -9.069 1.00 0.00 C ATOM 643 CG GLN A 44 -21.590 -14.714 -8.867 1.00 0.00 C ATOM 644 CD GLN A 44 -23.069 -14.818 -9.186 1.00 0.00 C ATOM 645 OE1 GLN A 44 -23.563 -14.173 -10.111 1.00 0.00 O ATOM 646 NE2 GLN A 44 -23.784 -15.634 -8.421 1.00 0.00 N ATOM 0 H GLN A 44 -19.555 -11.214 -9.116 1.00 0.00 H new ATOM 0 HA GLN A 44 -19.052 -14.104 -9.021 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -21.159 -12.747 -8.141 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.646 -12.800 -9.824 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -21.036 -15.408 -9.499 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.422 -15.020 -7.834 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -23.334 -16.150 -7.665 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.784 -15.745 -8.589 1.00 0.00 H new ATOM 655 N LEU A 45 -18.421 -14.118 -11.453 1.00 0.00 N ATOM 656 CA LEU A 45 -18.203 -14.343 -12.878 1.00 0.00 C ATOM 657 C LEU A 45 -19.476 -14.844 -13.551 1.00 0.00 C ATOM 658 O LEU A 45 -20.493 -15.068 -12.893 1.00 0.00 O ATOM 659 CB LEU A 45 -17.071 -15.351 -13.088 1.00 0.00 C ATOM 660 CG LEU A 45 -15.733 -14.771 -13.549 1.00 0.00 C ATOM 661 CD1 LEU A 45 -15.422 -13.485 -12.799 1.00 0.00 C ATOM 662 CD2 LEU A 45 -14.617 -15.787 -13.356 1.00 0.00 C ATOM 0 H LEU A 45 -17.707 -14.523 -10.848 1.00 0.00 H new ATOM 0 HA LEU A 45 -17.924 -13.392 -13.332 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.909 -15.886 -12.152 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -17.398 -16.087 -13.823 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.806 -14.539 -14.611 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -14.466 -13.087 -13.140 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -16.208 -12.754 -12.988 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -15.368 -13.691 -11.730 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -13.672 -15.357 -13.689 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -14.544 -16.051 -12.301 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -14.835 -16.682 -13.939 1.00 0.00 H new ATOM 674 N HIS A 46 -19.414 -15.020 -14.867 1.00 0.00 N ATOM 675 CA HIS A 46 -20.562 -15.498 -15.630 1.00 0.00 C ATOM 676 C HIS A 46 -20.209 -15.646 -17.107 1.00 0.00 C ATOM 677 O HIS A 46 -19.363 -14.920 -17.629 1.00 0.00 O ATOM 678 CB HIS A 46 -21.742 -14.539 -15.469 1.00 0.00 C ATOM 679 CG HIS A 46 -23.014 -15.218 -15.063 1.00 0.00 C ATOM 680 ND1 HIS A 46 -23.345 -16.496 -15.461 1.00 0.00 N ATOM 681 CD2 HIS A 46 -24.037 -14.790 -14.287 1.00 0.00 C ATOM 682 CE1 HIS A 46 -24.518 -16.824 -14.950 1.00 0.00 C ATOM 683 NE2 HIS A 46 -24.959 -15.806 -14.233 1.00 0.00 N ATOM 0 H HIS A 46 -18.581 -14.839 -15.427 1.00 0.00 H new ATOM 0 HA HIS A 46 -20.843 -16.477 -15.242 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.488 -13.785 -14.724 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.904 -14.014 -16.410 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -24.114 -13.829 -13.801 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -25.029 -17.764 -15.094 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -25.841 -15.779 -13.722 1.00 0.00 H new ATOM 691 N ILE A 47 -20.862 -16.591 -17.774 1.00 0.00 N ATOM 692 CA ILE A 47 -20.618 -16.834 -19.191 1.00 0.00 C ATOM 693 C ILE A 47 -20.471 -15.523 -19.955 1.00 0.00 C ATOM 694 O ILE A 47 -21.411 -14.733 -20.040 1.00 0.00 O ATOM 695 CB ILE A 47 -21.752 -17.661 -19.825 1.00 0.00 C ATOM 696 CG1 ILE A 47 -22.010 -18.926 -19.004 1.00 0.00 C ATOM 697 CG2 ILE A 47 -21.407 -18.017 -21.263 1.00 0.00 C ATOM 698 CD1 ILE A 47 -20.747 -19.660 -18.612 1.00 0.00 C ATOM 0 H ILE A 47 -21.564 -17.201 -17.356 1.00 0.00 H new ATOM 0 HA ILE A 47 -19.688 -17.398 -19.259 1.00 0.00 H new ATOM 0 HB ILE A 47 -22.662 -17.061 -19.828 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -22.560 -18.658 -18.102 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -22.648 -19.598 -19.578 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -22.218 -18.601 -21.698 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -21.268 -17.103 -21.841 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -20.487 -18.602 -21.282 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -21.006 -20.546 -18.032 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -20.206 -19.959 -19.510 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -20.117 -19.005 -18.011 1.00 0.00 H new ATOM 710 N ALA A 48 -19.286 -15.299 -20.513 1.00 0.00 N ATOM 711 CA ALA A 48 -19.017 -14.085 -21.275 1.00 0.00 C ATOM 712 C ALA A 48 -18.868 -12.880 -20.353 1.00 0.00 C ATOM 713 O ALA A 48 -19.622 -11.912 -20.455 1.00 0.00 O ATOM 714 CB ALA A 48 -20.125 -13.843 -22.290 1.00 0.00 C ATOM 0 H ALA A 48 -18.497 -15.942 -20.452 1.00 0.00 H new ATOM 0 HA ALA A 48 -18.075 -14.220 -21.807 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.912 -12.934 -22.852 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -20.181 -14.688 -22.976 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -21.077 -13.733 -21.770 1.00 0.00 H new ATOM 720 N ASP A 49 -17.893 -12.946 -19.453 1.00 0.00 N ATOM 721 CA ASP A 49 -17.645 -11.859 -18.513 1.00 0.00 C ATOM 722 C ASP A 49 -16.213 -11.348 -18.638 1.00 0.00 C ATOM 723 O ASP A 49 -15.269 -12.133 -18.721 1.00 0.00 O ATOM 724 CB ASP A 49 -17.910 -12.326 -17.081 1.00 0.00 C ATOM 725 CG ASP A 49 -19.294 -11.944 -16.594 1.00 0.00 C ATOM 726 OD1 ASP A 49 -19.865 -10.973 -17.133 1.00 0.00 O ATOM 727 OD2 ASP A 49 -19.806 -12.616 -15.674 1.00 0.00 O ATOM 0 H ASP A 49 -17.261 -13.741 -19.355 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.325 -11.041 -18.753 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.795 -13.409 -17.028 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.162 -11.893 -16.417 1.00 0.00 H new ATOM 732 N GLU A 50 -16.061 -10.028 -18.652 1.00 0.00 N ATOM 733 CA GLU A 50 -14.744 -9.413 -18.769 1.00 0.00 C ATOM 734 C GLU A 50 -14.002 -9.457 -17.437 1.00 0.00 C ATOM 735 O GLU A 50 -14.536 -9.057 -16.402 1.00 0.00 O ATOM 736 CB GLU A 50 -14.873 -7.964 -19.246 1.00 0.00 C ATOM 737 CG GLU A 50 -15.677 -7.814 -20.526 1.00 0.00 C ATOM 738 CD GLU A 50 -17.171 -7.928 -20.293 1.00 0.00 C ATOM 739 OE1 GLU A 50 -17.705 -7.148 -19.477 1.00 0.00 O ATOM 740 OE2 GLU A 50 -17.807 -8.796 -20.927 1.00 0.00 O ATOM 0 H GLU A 50 -16.832 -9.364 -18.584 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.171 -9.980 -19.503 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.343 -7.372 -18.460 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.876 -7.552 -19.403 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.456 -6.847 -20.978 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.365 -8.578 -21.238 1.00 0.00 H new ATOM 747 N VAL A 51 -12.767 -9.948 -17.469 1.00 0.00 N ATOM 748 CA VAL A 51 -11.950 -10.045 -16.265 1.00 0.00 C ATOM 749 C VAL A 51 -10.534 -9.543 -16.520 1.00 0.00 C ATOM 750 O VAL A 51 -9.997 -9.701 -17.616 1.00 0.00 O ATOM 751 CB VAL A 51 -11.885 -11.494 -15.747 1.00 0.00 C ATOM 752 CG1 VAL A 51 -13.234 -11.924 -15.192 1.00 0.00 C ATOM 753 CG2 VAL A 51 -11.429 -12.434 -16.852 1.00 0.00 C ATOM 0 H VAL A 51 -12.310 -10.285 -18.316 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.423 -9.418 -15.509 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.156 -11.540 -14.938 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.168 -12.950 -14.831 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.515 -11.267 -14.369 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.987 -11.863 -15.978 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.389 -13.454 -16.469 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.132 -12.386 -17.683 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.439 -12.137 -17.197 1.00 0.00 H new ATOM 763 N GLU A 52 -9.934 -8.937 -15.500 1.00 0.00 N ATOM 764 CA GLU A 52 -8.578 -8.412 -15.614 1.00 0.00 C ATOM 765 C GLU A 52 -7.612 -9.204 -14.739 1.00 0.00 C ATOM 766 O GLU A 52 -7.791 -9.298 -13.524 1.00 0.00 O ATOM 767 CB GLU A 52 -8.546 -6.934 -15.221 1.00 0.00 C ATOM 768 CG GLU A 52 -7.282 -6.214 -15.662 1.00 0.00 C ATOM 769 CD GLU A 52 -7.516 -4.742 -15.939 1.00 0.00 C ATOM 770 OE1 GLU A 52 -8.321 -4.428 -16.841 1.00 0.00 O ATOM 771 OE2 GLU A 52 -6.894 -3.903 -15.254 1.00 0.00 O ATOM 0 H GLU A 52 -10.365 -8.798 -14.586 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.263 -8.511 -16.653 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.410 -6.432 -15.656 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.642 -6.852 -14.138 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.521 -6.318 -14.889 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.891 -6.691 -16.561 1.00 0.00 H new ATOM 778 N PHE A 53 -6.587 -9.773 -15.364 1.00 0.00 N ATOM 779 CA PHE A 53 -5.592 -10.559 -14.643 1.00 0.00 C ATOM 780 C PHE A 53 -4.179 -10.143 -15.039 1.00 0.00 C ATOM 781 O PHE A 53 -3.970 -9.522 -16.083 1.00 0.00 O ATOM 782 CB PHE A 53 -5.792 -12.051 -14.918 1.00 0.00 C ATOM 783 CG PHE A 53 -6.303 -12.342 -16.301 1.00 0.00 C ATOM 784 CD1 PHE A 53 -5.427 -12.451 -17.369 1.00 0.00 C ATOM 785 CD2 PHE A 53 -7.659 -12.506 -16.532 1.00 0.00 C ATOM 786 CE1 PHE A 53 -5.893 -12.719 -18.642 1.00 0.00 C ATOM 787 CE2 PHE A 53 -8.131 -12.775 -17.803 1.00 0.00 C ATOM 788 CZ PHE A 53 -7.247 -12.880 -18.859 1.00 0.00 C ATOM 0 H PHE A 53 -6.423 -9.705 -16.368 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.722 -10.372 -13.577 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.844 -12.569 -14.773 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.492 -12.456 -14.188 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.367 -12.325 -17.205 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.355 -12.423 -15.710 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.199 -12.802 -19.466 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.190 -12.903 -17.970 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.614 -13.088 -19.853 1.00 0.00 H new ATOM 798 N THR A 54 -3.209 -10.488 -14.198 1.00 0.00 N ATOM 799 CA THR A 54 -1.815 -10.149 -14.458 1.00 0.00 C ATOM 800 C THR A 54 -1.131 -11.233 -15.283 1.00 0.00 C ATOM 801 O THR A 54 -0.602 -10.965 -16.361 1.00 0.00 O ATOM 802 CB THR A 54 -1.032 -9.946 -13.147 1.00 0.00 C ATOM 803 OG1 THR A 54 -1.631 -8.899 -12.375 1.00 0.00 O ATOM 804 CG2 THR A 54 0.422 -9.605 -13.432 1.00 0.00 C ATOM 0 H THR A 54 -3.363 -11.002 -13.331 1.00 0.00 H new ATOM 0 HA THR A 54 -1.816 -9.215 -15.020 1.00 0.00 H new ATOM 0 HB THR A 54 -1.066 -10.878 -12.582 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.128 -8.778 -11.543 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.954 -9.466 -12.491 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.883 -10.418 -13.993 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.472 -8.686 -14.016 1.00 0.00 H new ATOM 968 N ASN A 65 1.827 -20.543 -17.134 1.00 0.00 N ATOM 969 CA ASN A 65 1.335 -19.264 -16.635 1.00 0.00 C ATOM 970 C ASN A 65 -0.100 -19.392 -16.132 1.00 0.00 C ATOM 971 O ASN A 65 -0.875 -20.207 -16.634 1.00 0.00 O ATOM 972 CB ASN A 65 1.408 -18.202 -17.735 1.00 0.00 C ATOM 973 CG ASN A 65 0.782 -18.671 -19.034 1.00 0.00 C ATOM 974 OD1 ASN A 65 0.315 -19.805 -19.137 1.00 0.00 O ATOM 975 ND2 ASN A 65 0.770 -17.797 -20.034 1.00 0.00 N ATOM 0 HA ASN A 65 1.968 -18.960 -15.802 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.902 -17.297 -17.397 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.450 -17.937 -17.912 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.362 -18.056 -20.932 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.169 -16.867 -19.904 1.00 0.00 H new ATOM 982 N HIS A 66 -0.447 -18.582 -15.136 1.00 0.00 N ATOM 983 CA HIS A 66 -1.788 -18.604 -14.565 1.00 0.00 C ATOM 984 C HIS A 66 -2.238 -17.198 -14.180 1.00 0.00 C ATOM 985 O HIS A 66 -1.415 -16.326 -13.906 1.00 0.00 O ATOM 986 CB HIS A 66 -1.829 -19.518 -13.340 1.00 0.00 C ATOM 987 CG HIS A 66 -1.125 -18.951 -12.146 1.00 0.00 C ATOM 988 ND1 HIS A 66 -0.172 -17.995 -12.052 1.00 0.00 N flip ATOM 989 CD2 HIS A 66 -1.377 -19.368 -10.856 1.00 0.00 C flip ATOM 990 CE1 HIS A 66 0.131 -17.852 -10.720 1.00 0.00 C flip ATOM 991 NE2 HIS A 66 -0.610 -18.692 -10.019 1.00 0.00 N flip ATOM 0 H HIS A 66 0.182 -17.903 -14.708 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.471 -18.991 -15.321 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.869 -19.715 -13.079 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.377 -20.476 -13.597 1.00 0.00 H new ATOM 0 HD1 HIS A 66 0.244 -17.477 -12.826 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.090 -20.128 -10.574 1.00 0.00 H new ATOM 0 HE1 HIS A 66 0.857 -17.165 -10.312 1.00 0.00 H new ATOM 999 N ALA A 67 -3.550 -16.986 -14.164 1.00 0.00 N ATOM 1000 CA ALA A 67 -4.109 -15.686 -13.812 1.00 0.00 C ATOM 1001 C ALA A 67 -4.280 -15.553 -12.303 1.00 0.00 C ATOM 1002 O ALA A 67 -4.899 -16.402 -11.662 1.00 0.00 O ATOM 1003 CB ALA A 67 -5.441 -15.476 -14.517 1.00 0.00 C ATOM 0 H ALA A 67 -4.245 -17.697 -14.390 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.411 -14.916 -14.141 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.847 -14.502 -14.245 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.292 -15.519 -15.596 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.139 -16.257 -14.216 1.00 0.00 H new ATOM 1009 N ILE A 68 -3.727 -14.482 -11.742 1.00 0.00 N ATOM 1010 CA ILE A 68 -3.820 -14.238 -10.308 1.00 0.00 C ATOM 1011 C ILE A 68 -4.787 -13.099 -10.005 1.00 0.00 C ATOM 1012 O ILE A 68 -5.033 -12.239 -10.851 1.00 0.00 O ATOM 1013 CB ILE A 68 -2.443 -13.903 -9.704 1.00 0.00 C ATOM 1014 CG1 ILE A 68 -1.830 -12.696 -10.418 1.00 0.00 C ATOM 1015 CG2 ILE A 68 -1.517 -15.106 -9.795 1.00 0.00 C ATOM 1016 CD1 ILE A 68 -1.068 -11.771 -9.495 1.00 0.00 C ATOM 0 H ILE A 68 -3.210 -13.770 -12.259 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.193 -15.157 -9.855 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.575 -13.651 -8.652 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.158 -13.049 -11.200 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.624 -12.133 -10.909 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.548 -14.853 -9.364 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.951 -15.942 -9.246 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.387 -15.387 -10.840 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.661 -10.938 -10.069 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.740 -11.388 -8.727 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.252 -12.319 -9.023 1.00 0.00 H new ATOM 1028 N ARG A 69 -5.331 -13.099 -8.793 1.00 0.00 N ATOM 1029 CA ARG A 69 -6.271 -12.064 -8.378 1.00 0.00 C ATOM 1030 C ARG A 69 -7.137 -11.614 -9.550 1.00 0.00 C ATOM 1031 O ARG A 69 -6.889 -10.569 -10.152 1.00 0.00 O ATOM 1032 CB ARG A 69 -5.519 -10.866 -7.795 1.00 0.00 C ATOM 1033 CG ARG A 69 -4.706 -11.200 -6.555 1.00 0.00 C ATOM 1034 CD ARG A 69 -4.705 -10.048 -5.563 1.00 0.00 C ATOM 1035 NE ARG A 69 -3.968 -8.893 -6.067 1.00 0.00 N ATOM 1036 CZ ARG A 69 -2.643 -8.799 -6.045 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -1.913 -9.787 -5.546 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -2.045 -7.715 -6.522 1.00 0.00 N ATOM 0 H ARG A 69 -5.137 -13.803 -8.081 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.920 -12.485 -7.610 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.853 -10.460 -8.557 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.236 -10.083 -7.549 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.116 -12.091 -6.079 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.681 -11.435 -6.843 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.732 -9.756 -5.346 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.262 -10.379 -4.624 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.500 -8.115 -6.458 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.369 -10.622 -5.178 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.896 -9.712 -5.530 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.603 -6.952 -6.906 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.028 -7.644 -6.504 1.00 0.00 H new ATOM 1052 N ILE A 70 -8.152 -12.410 -9.869 1.00 0.00 N ATOM 1053 CA ILE A 70 -9.055 -12.093 -10.969 1.00 0.00 C ATOM 1054 C ILE A 70 -10.082 -11.046 -10.553 1.00 0.00 C ATOM 1055 O ILE A 70 -10.874 -11.266 -9.637 1.00 0.00 O ATOM 1056 CB ILE A 70 -9.792 -13.348 -11.471 1.00 0.00 C ATOM 1057 CG1 ILE A 70 -8.806 -14.320 -12.122 1.00 0.00 C ATOM 1058 CG2 ILE A 70 -10.889 -12.961 -12.453 1.00 0.00 C ATOM 1059 CD1 ILE A 70 -9.395 -15.687 -12.394 1.00 0.00 C ATOM 0 H ILE A 70 -8.370 -13.279 -9.381 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.441 -11.695 -11.777 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.253 -13.845 -10.618 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.453 -13.892 -13.060 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.936 -14.430 -11.475 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.401 -13.859 -12.799 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.604 -12.303 -11.959 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.449 -12.443 -13.305 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.640 -16.323 -12.856 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.723 -16.135 -11.456 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.247 -15.589 -13.066 1.00 0.00 H new ATOM 1071 N LYS A 71 -10.064 -9.905 -11.234 1.00 0.00 N ATOM 1072 CA LYS A 71 -10.995 -8.822 -10.938 1.00 0.00 C ATOM 1073 C LYS A 71 -11.925 -8.567 -12.120 1.00 0.00 C ATOM 1074 O LYS A 71 -11.542 -7.924 -13.098 1.00 0.00 O ATOM 1075 CB LYS A 71 -10.229 -7.543 -10.593 1.00 0.00 C ATOM 1076 CG LYS A 71 -11.127 -6.392 -10.173 1.00 0.00 C ATOM 1077 CD LYS A 71 -10.825 -5.132 -10.967 1.00 0.00 C ATOM 1078 CE LYS A 71 -11.256 -3.882 -10.215 1.00 0.00 C ATOM 1079 NZ LYS A 71 -12.587 -3.393 -10.668 1.00 0.00 N ATOM 0 H LYS A 71 -9.415 -9.706 -11.995 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.598 -9.119 -10.080 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.525 -7.756 -9.788 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.641 -7.237 -11.458 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.171 -6.672 -10.316 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.993 -6.194 -9.110 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.757 -5.081 -11.178 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.338 -5.175 -11.928 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.292 -4.095 -9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.513 -3.098 -10.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.845 -2.540 -10.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.546 -3.165 -11.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.301 -4.132 -10.508 1.00 0.00 H new ATOM 1093 N LYS A 72 -13.149 -9.074 -12.024 1.00 0.00 N ATOM 1094 CA LYS A 72 -14.136 -8.899 -13.083 1.00 0.00 C ATOM 1095 C LYS A 72 -14.312 -7.423 -13.425 1.00 0.00 C ATOM 1096 O LYS A 72 -14.665 -6.614 -12.565 1.00 0.00 O ATOM 1097 CB LYS A 72 -15.479 -9.499 -12.661 1.00 0.00 C ATOM 1098 CG LYS A 72 -16.113 -10.379 -13.725 1.00 0.00 C ATOM 1099 CD LYS A 72 -17.042 -9.582 -14.627 1.00 0.00 C ATOM 1100 CE LYS A 72 -18.451 -9.519 -14.058 1.00 0.00 C ATOM 1101 NZ LYS A 72 -18.879 -8.118 -13.792 1.00 0.00 N ATOM 0 H LYS A 72 -13.482 -9.610 -11.223 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.775 -9.419 -13.971 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.336 -10.086 -11.754 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.167 -8.691 -12.413 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.332 -10.845 -14.326 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.671 -11.185 -13.247 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.653 -8.571 -14.750 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.068 -10.037 -15.617 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -19.146 -9.985 -14.757 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.495 -10.094 -13.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.844 -8.117 -13.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.231 -7.681 -13.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.861 -7.575 -14.679 1.00 0.00 H new ATOM 1115 N LEU A 73 -14.064 -7.078 -14.683 1.00 0.00 N ATOM 1116 CA LEU A 73 -14.197 -5.699 -15.139 1.00 0.00 C ATOM 1117 C LEU A 73 -15.659 -5.349 -15.397 1.00 0.00 C ATOM 1118 O LEU A 73 -16.461 -6.188 -15.807 1.00 0.00 O ATOM 1119 CB LEU A 73 -13.376 -5.480 -16.411 1.00 0.00 C ATOM 1120 CG LEU A 73 -11.861 -5.628 -16.266 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -11.228 -5.979 -17.604 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -11.252 -4.352 -15.704 1.00 0.00 C ATOM 0 H LEU A 73 -13.770 -7.734 -15.406 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.819 -5.045 -14.353 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.719 -6.186 -17.167 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.589 -4.480 -16.789 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.660 -6.441 -15.568 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.150 -6.080 -17.481 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.642 -6.920 -17.967 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.438 -5.189 -18.325 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.173 -4.475 -15.608 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.463 -3.521 -16.377 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.682 -4.144 -14.724 1.00 0.00 H new ATOM 1134 N PRO A 74 -16.015 -4.079 -15.155 1.00 0.00 N ATOM 1135 CA PRO A 74 -17.381 -3.587 -15.357 1.00 0.00 C ATOM 1136 C PRO A 74 -17.759 -3.515 -16.833 1.00 0.00 C ATOM 1137 O PRO A 74 -16.893 -3.531 -17.708 1.00 0.00 O ATOM 1138 CB PRO A 74 -17.348 -2.185 -14.744 1.00 0.00 C ATOM 1139 CG PRO A 74 -15.921 -1.768 -14.830 1.00 0.00 C ATOM 1140 CD PRO A 74 -15.111 -3.024 -14.666 1.00 0.00 C ATOM 0 HA PRO A 74 -18.122 -4.246 -14.906 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -17.995 -1.499 -15.291 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -17.696 -2.196 -13.711 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.711 -1.291 -15.787 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.679 -1.043 -14.053 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.188 -2.985 -15.245 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -14.828 -3.187 -13.626 1.00 0.00 H new ATOM 1148 N LYS A 75 -19.058 -3.434 -17.103 1.00 0.00 N ATOM 1149 CA LYS A 75 -19.551 -3.358 -18.473 1.00 0.00 C ATOM 1150 C LYS A 75 -19.164 -2.030 -19.117 1.00 0.00 C ATOM 1151 O LYS A 75 -19.756 -0.992 -18.826 1.00 0.00 O ATOM 1152 CB LYS A 75 -21.072 -3.525 -18.499 1.00 0.00 C ATOM 1153 CG LYS A 75 -21.547 -4.627 -19.429 1.00 0.00 C ATOM 1154 CD LYS A 75 -23.031 -4.902 -19.256 1.00 0.00 C ATOM 1155 CE LYS A 75 -23.728 -5.065 -20.598 1.00 0.00 C ATOM 1156 NZ LYS A 75 -25.200 -5.235 -20.442 1.00 0.00 N ATOM 0 H LYS A 75 -19.788 -3.419 -16.391 1.00 0.00 H new ATOM 0 HA LYS A 75 -19.093 -4.166 -19.043 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -21.423 -3.737 -17.489 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -21.527 -2.583 -18.804 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -21.347 -4.344 -20.462 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.982 -5.538 -19.233 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -23.168 -5.805 -18.662 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -23.492 -4.084 -18.703 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -23.527 -4.193 -21.220 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -23.316 -5.929 -21.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -25.638 -5.343 -21.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -25.393 -6.082 -19.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -25.598 -4.399 -19.968 1.00 0.00 H new ATOM 1170 N GLY A 76 -18.167 -2.072 -19.996 1.00 0.00 N ATOM 1171 CA GLY A 76 -17.719 -0.867 -20.668 1.00 0.00 C ATOM 1172 C GLY A 76 -16.252 -0.576 -20.421 1.00 0.00 C ATOM 1173 O GLY A 76 -15.896 0.501 -19.942 1.00 0.00 O ATOM 0 H GLY A 76 -17.662 -2.920 -20.254 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -17.891 -0.967 -21.740 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -18.316 -0.021 -20.327 1.00 0.00 H new ATOM 1177 N THR A 77 -15.396 -1.540 -20.748 1.00 0.00 N ATOM 1178 CA THR A 77 -13.960 -1.383 -20.557 1.00 0.00 C ATOM 1179 C THR A 77 -13.182 -1.974 -21.727 1.00 0.00 C ATOM 1180 O THR A 77 -12.499 -1.256 -22.458 1.00 0.00 O ATOM 1181 CB THR A 77 -13.490 -2.054 -19.252 1.00 0.00 C ATOM 1182 OG1 THR A 77 -14.202 -1.507 -18.137 1.00 0.00 O ATOM 1183 CG2 THR A 77 -11.995 -1.859 -19.051 1.00 0.00 C ATOM 0 H THR A 77 -15.673 -2.437 -21.146 1.00 0.00 H new ATOM 0 HA THR A 77 -13.764 -0.312 -20.498 1.00 0.00 H new ATOM 0 HB THR A 77 -13.694 -3.122 -19.324 1.00 0.00 H new ATOM 0 HG1 THR A 77 -13.899 -1.939 -17.311 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.687 -2.341 -18.123 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.455 -2.302 -19.887 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.771 -0.794 -18.998 1.00 0.00 H new ATOM 1191 N VAL A 78 -13.289 -3.288 -21.900 1.00 0.00 N ATOM 1192 CA VAL A 78 -12.597 -3.976 -22.984 1.00 0.00 C ATOM 1193 C VAL A 78 -13.495 -4.118 -24.207 1.00 0.00 C ATOM 1194 O VAL A 78 -14.721 -4.122 -24.093 1.00 0.00 O ATOM 1195 CB VAL A 78 -12.118 -5.373 -22.546 1.00 0.00 C ATOM 1196 CG1 VAL A 78 -13.258 -6.153 -21.909 1.00 0.00 C ATOM 1197 CG2 VAL A 78 -11.538 -6.131 -23.730 1.00 0.00 C ATOM 0 H VAL A 78 -13.848 -3.897 -21.303 1.00 0.00 H new ATOM 0 HA VAL A 78 -11.730 -3.368 -23.243 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.332 -5.252 -21.800 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.901 -7.137 -21.606 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.623 -5.614 -21.035 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.068 -6.267 -22.629 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.204 -7.116 -23.403 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.302 -6.243 -24.500 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.692 -5.578 -24.137 1.00 0.00 H new