USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=9 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 Set 1.1: A 32 MET CE :methyl -160:sc= -2.96! (180deg=-3.93!) USER MOD Set 1.2: A 65 ASN : amide:sc= -0.399 K(o=-3.4,f=-3.9!) USER MOD Single : A 10 MET CE :methyl 177:sc= 0 (180deg=-0.0108) USER MOD Single : A 16 MET CE :methyl 167:sc= -4.3! (180deg=-4.59!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 170:sc= -0.647 USER MOD Single : A 35 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.062) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN :FLIP amide:sc= -3.55! C(o=-5.9!,f=-3.5!) USER MOD Single : A 44 GLN : amide:sc=-0.00736 K(o=-0.0074,f=-0.56) USER MOD Single : A 46 HIS : no HD1:sc= -0.0336 X(o=-0.034,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -2.24 X(o=-2.2,f=-2.1) USER MOD Single : A 71 LYS NZ :NH3+ -142:sc= -0.608 (180deg=-2.23!) 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 102:sc= 0.327 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -1.457 -6.225 -17.481 1.00 0.00 N ATOM 67 CA ARG A 8 -2.703 -6.952 -17.271 1.00 0.00 C ATOM 68 C ARG A 8 -3.497 -7.055 -18.570 1.00 0.00 C ATOM 69 O ARG A 8 -3.680 -6.065 -19.276 1.00 0.00 O ATOM 70 CB ARG A 8 -3.546 -6.262 -16.198 1.00 0.00 C ATOM 71 CG ARG A 8 -2.892 -6.245 -14.826 1.00 0.00 C ATOM 72 CD ARG A 8 -3.077 -4.902 -14.137 1.00 0.00 C ATOM 73 NE ARG A 8 -2.129 -3.903 -14.621 1.00 0.00 N ATOM 74 CZ ARG A 8 -2.298 -2.594 -14.468 1.00 0.00 C ATOM 75 NH1 ARG A 8 -3.373 -2.129 -13.847 1.00 0.00 N ATOM 76 NH2 ARG A 8 -1.390 -1.747 -14.936 1.00 0.00 N ATOM 0 HA ARG A 8 -2.455 -7.959 -16.936 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.745 -5.236 -16.509 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.510 -6.766 -16.125 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.320 -7.034 -14.208 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.828 -6.460 -14.926 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.094 -4.547 -14.303 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.954 -5.027 -13.061 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.291 -4.228 -15.103 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.073 -2.777 -13.485 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.500 -1.124 -13.731 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.561 -2.101 -15.414 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.521 -0.742 -14.818 1.00 0.00 H new ATOM 90 N GLU A 9 -3.966 -8.261 -18.877 1.00 0.00 N ATOM 91 CA GLU A 9 -4.740 -8.492 -20.091 1.00 0.00 C ATOM 92 C GLU A 9 -6.187 -8.839 -19.756 1.00 0.00 C ATOM 93 O GLU A 9 -6.475 -9.386 -18.691 1.00 0.00 O ATOM 94 CB GLU A 9 -4.112 -9.618 -20.915 1.00 0.00 C ATOM 95 CG GLU A 9 -2.788 -9.237 -21.557 1.00 0.00 C ATOM 96 CD GLU A 9 -2.966 -8.381 -22.796 1.00 0.00 C ATOM 97 OE1 GLU A 9 -3.662 -7.349 -22.710 1.00 0.00 O ATOM 98 OE2 GLU A 9 -2.407 -8.745 -23.852 1.00 0.00 O ATOM 0 H GLU A 9 -3.824 -9.092 -18.302 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.731 -7.573 -20.677 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.958 -10.485 -20.272 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.811 -9.919 -21.695 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.179 -8.698 -20.832 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.242 -10.143 -21.821 1.00 0.00 H new ATOM 105 N MET A 10 -7.094 -8.517 -20.672 1.00 0.00 N ATOM 106 CA MET A 10 -8.512 -8.794 -20.474 1.00 0.00 C ATOM 107 C MET A 10 -8.998 -9.862 -21.449 1.00 0.00 C ATOM 108 O MET A 10 -8.406 -10.064 -22.509 1.00 0.00 O ATOM 109 CB MET A 10 -9.334 -7.516 -20.649 1.00 0.00 C ATOM 110 CG MET A 10 -8.933 -6.401 -19.696 1.00 0.00 C ATOM 111 SD MET A 10 -7.571 -5.403 -20.327 1.00 0.00 S ATOM 112 CE MET A 10 -8.405 -3.848 -20.633 1.00 0.00 C ATOM 0 H MET A 10 -6.873 -8.064 -21.559 1.00 0.00 H new ATOM 0 HA MET A 10 -8.645 -9.166 -19.458 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.227 -7.162 -21.675 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.388 -7.749 -20.500 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.794 -5.758 -19.512 1.00 0.00 H new ATOM 0 HG3 MET A 10 -8.647 -6.833 -18.737 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.682 -3.109 -20.977 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.170 -3.990 -21.396 1.00 0.00 H new ATOM 0 HE3 MET A 10 -8.871 -3.498 -19.712 1.00 0.00 H new ATOM 122 N GLY A 11 -10.080 -10.543 -21.084 1.00 0.00 N ATOM 123 CA GLY A 11 -10.626 -11.582 -21.937 1.00 0.00 C ATOM 124 C GLY A 11 -12.033 -11.980 -21.538 1.00 0.00 C ATOM 125 O GLY A 11 -12.466 -11.717 -20.416 1.00 0.00 O ATOM 0 H GLY A 11 -10.588 -10.393 -20.212 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.629 -11.235 -22.970 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.979 -12.458 -21.897 1.00 0.00 H new ATOM 129 N VAL A 12 -12.751 -12.614 -22.460 1.00 0.00 N ATOM 130 CA VAL A 12 -14.118 -13.049 -22.199 1.00 0.00 C ATOM 131 C VAL A 12 -14.159 -14.514 -21.778 1.00 0.00 C ATOM 132 O VAL A 12 -13.367 -15.328 -22.253 1.00 0.00 O ATOM 133 CB VAL A 12 -15.014 -12.857 -23.437 1.00 0.00 C ATOM 134 CG1 VAL A 12 -15.122 -11.382 -23.794 1.00 0.00 C ATOM 135 CG2 VAL A 12 -14.478 -13.660 -24.612 1.00 0.00 C ATOM 0 H VAL A 12 -12.408 -12.838 -23.394 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.497 -12.430 -21.386 1.00 0.00 H new ATOM 0 HB VAL A 12 -16.013 -13.224 -23.201 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.759 -11.266 -24.671 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.555 -10.836 -22.956 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.130 -10.987 -24.011 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.123 -13.513 -25.478 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.468 -13.326 -24.851 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.458 -14.718 -24.351 1.00 0.00 H new ATOM 145 N ILE A 13 -15.087 -14.842 -20.886 1.00 0.00 N ATOM 146 CA ILE A 13 -15.232 -16.209 -20.402 1.00 0.00 C ATOM 147 C ILE A 13 -15.776 -17.123 -21.495 1.00 0.00 C ATOM 148 O ILE A 13 -16.848 -16.878 -22.047 1.00 0.00 O ATOM 149 CB ILE A 13 -16.165 -16.278 -19.179 1.00 0.00 C ATOM 150 CG1 ILE A 13 -15.748 -15.242 -18.133 1.00 0.00 C ATOM 151 CG2 ILE A 13 -16.153 -17.677 -18.582 1.00 0.00 C ATOM 152 CD1 ILE A 13 -14.269 -15.266 -17.816 1.00 0.00 C ATOM 0 H ILE A 13 -15.750 -14.180 -20.484 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.238 -16.547 -20.109 1.00 0.00 H new ATOM 0 HB ILE A 13 -17.181 -16.051 -19.502 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -16.019 -14.248 -18.489 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -16.311 -15.416 -17.216 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.817 -17.710 -17.718 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.493 -18.394 -19.329 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -15.140 -17.931 -18.270 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -14.045 -14.506 -17.067 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -13.996 -16.248 -17.429 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.699 -15.062 -18.722 1.00 0.00 H new ATOM 164 N ALA A 14 -15.029 -18.180 -21.801 1.00 0.00 N ATOM 165 CA ALA A 14 -15.439 -19.133 -22.824 1.00 0.00 C ATOM 166 C ALA A 14 -16.165 -20.324 -22.207 1.00 0.00 C ATOM 167 O ALA A 14 -17.016 -20.943 -22.845 1.00 0.00 O ATOM 168 CB ALA A 14 -14.230 -19.605 -23.620 1.00 0.00 C ATOM 0 H ALA A 14 -14.138 -18.397 -21.355 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.131 -18.629 -23.498 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.551 -20.317 -24.381 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.754 -18.750 -24.100 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.518 -20.087 -22.949 1.00 0.00 H new ATOM 174 N ALA A 15 -15.822 -20.639 -20.962 1.00 0.00 N ATOM 175 CA ALA A 15 -16.443 -21.754 -20.258 1.00 0.00 C ATOM 176 C ALA A 15 -16.405 -21.540 -18.749 1.00 0.00 C ATOM 177 O ALA A 15 -15.589 -20.771 -18.242 1.00 0.00 O ATOM 178 CB ALA A 15 -15.752 -23.060 -20.626 1.00 0.00 C ATOM 0 H ALA A 15 -15.118 -20.138 -20.421 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.488 -21.809 -20.564 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.225 -23.885 -20.093 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.836 -23.226 -21.700 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.699 -23.005 -20.348 1.00 0.00 H new ATOM 184 N MET A 16 -17.294 -22.225 -18.036 1.00 0.00 N ATOM 185 CA MET A 16 -17.361 -22.109 -16.584 1.00 0.00 C ATOM 186 C MET A 16 -17.728 -23.446 -15.949 1.00 0.00 C ATOM 187 O MET A 16 -18.894 -23.703 -15.650 1.00 0.00 O ATOM 188 CB MET A 16 -18.382 -21.043 -16.183 1.00 0.00 C ATOM 189 CG MET A 16 -17.995 -19.638 -16.614 1.00 0.00 C ATOM 190 SD MET A 16 -16.874 -18.838 -15.451 1.00 0.00 S ATOM 191 CE MET A 16 -18.027 -18.281 -14.198 1.00 0.00 C ATOM 0 H MET A 16 -17.977 -22.866 -18.440 1.00 0.00 H new ATOM 0 HA MET A 16 -16.377 -21.813 -16.222 1.00 0.00 H new ATOM 0 HB2 MET A 16 -19.348 -21.295 -16.620 1.00 0.00 H new ATOM 0 HB3 MET A 16 -18.507 -21.061 -15.100 1.00 0.00 H new ATOM 0 HG2 MET A 16 -17.524 -19.680 -17.596 1.00 0.00 H new ATOM 0 HG3 MET A 16 -18.896 -19.033 -16.719 1.00 0.00 H new ATOM 0 HE1 MET A 16 -17.477 -17.975 -13.308 1.00 0.00 H new ATOM 0 HE2 MET A 16 -18.599 -17.435 -14.580 1.00 0.00 H new ATOM 0 HE3 MET A 16 -18.708 -19.093 -13.943 1.00 0.00 H new ATOM 201 N ARG A 17 -16.725 -24.295 -15.745 1.00 0.00 N ATOM 202 CA ARG A 17 -16.944 -25.606 -15.147 1.00 0.00 C ATOM 203 C ARG A 17 -16.632 -25.581 -13.653 1.00 0.00 C ATOM 204 O ARG A 17 -15.787 -24.810 -13.198 1.00 0.00 O ATOM 205 CB ARG A 17 -16.077 -26.658 -15.841 1.00 0.00 C ATOM 206 CG ARG A 17 -16.597 -27.070 -17.208 1.00 0.00 C ATOM 207 CD ARG A 17 -16.689 -25.881 -18.151 1.00 0.00 C ATOM 208 NE ARG A 17 -15.388 -25.254 -18.370 1.00 0.00 N ATOM 209 CZ ARG A 17 -14.485 -25.715 -19.228 1.00 0.00 C ATOM 210 NH1 ARG A 17 -14.740 -26.800 -19.944 1.00 0.00 N ATOM 211 NH2 ARG A 17 -13.324 -25.089 -19.371 1.00 0.00 N ATOM 0 H ARG A 17 -15.753 -24.098 -15.985 1.00 0.00 H new ATOM 0 HA ARG A 17 -17.994 -25.866 -15.278 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.065 -26.269 -15.949 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.013 -27.541 -15.205 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.938 -27.825 -17.636 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -17.580 -27.528 -17.101 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -17.100 -26.207 -19.107 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.381 -25.146 -17.741 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.161 -24.416 -17.835 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.632 -27.284 -19.837 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.045 -27.152 -20.602 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.124 -24.253 -18.822 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.631 -25.444 -20.030 1.00 0.00 H new ATOM 225 N ASP A 18 -17.321 -26.427 -12.896 1.00 0.00 N ATOM 226 CA ASP A 18 -17.119 -26.503 -11.454 1.00 0.00 C ATOM 227 C ASP A 18 -15.685 -26.909 -11.127 1.00 0.00 C ATOM 228 O ASP A 18 -15.357 -28.094 -11.093 1.00 0.00 O ATOM 229 CB ASP A 18 -18.098 -27.498 -10.831 1.00 0.00 C ATOM 230 CG ASP A 18 -18.391 -27.190 -9.376 1.00 0.00 C ATOM 231 OD1 ASP A 18 -18.249 -26.014 -8.978 1.00 0.00 O ATOM 232 OD2 ASP A 18 -18.763 -28.123 -8.635 1.00 0.00 O ATOM 0 H ASP A 18 -18.025 -27.071 -13.257 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.303 -25.514 -11.034 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -19.030 -27.488 -11.396 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -17.688 -28.505 -10.911 1.00 0.00 H new ATOM 237 N GLY A 19 -14.834 -25.916 -10.889 1.00 0.00 N ATOM 238 CA GLY A 19 -13.445 -26.190 -10.569 1.00 0.00 C ATOM 239 C GLY A 19 -12.486 -25.307 -11.343 1.00 0.00 C ATOM 240 O GLY A 19 -11.437 -24.919 -10.831 1.00 0.00 O ATOM 0 H GLY A 19 -15.081 -24.927 -10.912 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.286 -26.044 -9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.225 -27.236 -10.784 1.00 0.00 H new ATOM 244 N PHE A 20 -12.847 -24.990 -12.583 1.00 0.00 N ATOM 245 CA PHE A 20 -12.009 -24.149 -13.430 1.00 0.00 C ATOM 246 C PHE A 20 -12.825 -23.538 -14.566 1.00 0.00 C ATOM 247 O PHE A 20 -14.019 -23.804 -14.700 1.00 0.00 O ATOM 248 CB PHE A 20 -10.847 -24.962 -14.003 1.00 0.00 C ATOM 249 CG PHE A 20 -11.285 -26.081 -14.905 1.00 0.00 C ATOM 250 CD1 PHE A 20 -11.551 -25.844 -16.245 1.00 0.00 C ATOM 251 CD2 PHE A 20 -11.431 -27.368 -14.414 1.00 0.00 C ATOM 252 CE1 PHE A 20 -11.955 -26.871 -17.077 1.00 0.00 C ATOM 253 CE2 PHE A 20 -11.835 -28.399 -15.242 1.00 0.00 C ATOM 254 CZ PHE A 20 -12.096 -28.150 -16.575 1.00 0.00 C ATOM 0 H PHE A 20 -13.713 -25.302 -13.023 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.610 -23.341 -12.816 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -10.187 -24.296 -14.558 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.264 -25.376 -13.181 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -11.441 -24.846 -16.643 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -11.227 -27.568 -13.373 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -12.160 -26.674 -18.119 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -11.946 -29.398 -14.847 1.00 0.00 H new ATOM 0 HZ PHE A 20 -12.410 -28.954 -17.224 1.00 0.00 H new ATOM 264 N GLY A 21 -12.171 -22.716 -15.381 1.00 0.00 N ATOM 265 CA GLY A 21 -12.851 -22.079 -16.494 1.00 0.00 C ATOM 266 C GLY A 21 -11.898 -21.674 -17.600 1.00 0.00 C ATOM 267 O GLY A 21 -10.763 -22.148 -17.656 1.00 0.00 O ATOM 0 H GLY A 21 -11.183 -22.480 -15.291 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.601 -22.761 -16.896 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.382 -21.197 -16.135 1.00 0.00 H new ATOM 271 N PHE A 22 -12.359 -20.796 -18.485 1.00 0.00 N ATOM 272 CA PHE A 22 -11.540 -20.329 -19.598 1.00 0.00 C ATOM 273 C PHE A 22 -11.847 -18.871 -19.925 1.00 0.00 C ATOM 274 O PHE A 22 -12.987 -18.423 -19.801 1.00 0.00 O ATOM 275 CB PHE A 22 -11.776 -21.201 -20.833 1.00 0.00 C ATOM 276 CG PHE A 22 -10.934 -22.445 -20.858 1.00 0.00 C ATOM 277 CD1 PHE A 22 -9.574 -22.383 -20.599 1.00 0.00 C ATOM 278 CD2 PHE A 22 -11.503 -23.676 -21.141 1.00 0.00 C ATOM 279 CE1 PHE A 22 -8.798 -23.526 -20.622 1.00 0.00 C ATOM 280 CE2 PHE A 22 -10.731 -24.823 -21.165 1.00 0.00 C ATOM 281 CZ PHE A 22 -9.377 -24.747 -20.905 1.00 0.00 C ATOM 0 H PHE A 22 -13.296 -20.393 -18.453 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.493 -20.404 -19.303 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -12.828 -21.483 -20.873 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.569 -20.614 -21.728 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -9.116 -21.431 -20.377 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -12.562 -23.741 -21.345 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.739 -23.464 -20.419 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -11.186 -25.777 -21.387 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.772 -25.641 -20.923 1.00 0.00 H new ATOM 291 N ILE A 23 -10.821 -18.136 -20.341 1.00 0.00 N ATOM 292 CA ILE A 23 -10.981 -16.729 -20.686 1.00 0.00 C ATOM 293 C ILE A 23 -10.251 -16.395 -21.983 1.00 0.00 C ATOM 294 O ILE A 23 -9.046 -16.143 -21.983 1.00 0.00 O ATOM 295 CB ILE A 23 -10.458 -15.811 -19.565 1.00 0.00 C ATOM 296 CG1 ILE A 23 -10.949 -16.305 -18.203 1.00 0.00 C ATOM 297 CG2 ILE A 23 -10.901 -14.376 -19.806 1.00 0.00 C ATOM 298 CD1 ILE A 23 -10.018 -15.955 -17.062 1.00 0.00 C ATOM 0 H ILE A 23 -9.871 -18.491 -20.447 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.049 -16.556 -20.817 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.368 -15.839 -19.570 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.932 -15.878 -18.003 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.073 -17.387 -18.241 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.524 -13.739 -19.006 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.507 -14.029 -20.761 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.990 -14.329 -19.824 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.429 -16.336 -16.127 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -9.041 -16.404 -17.239 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.913 -14.872 -16.997 1.00 0.00 H new ATOM 310 N LYS A 24 -10.990 -16.393 -23.087 1.00 0.00 N ATOM 311 CA LYS A 24 -10.415 -16.086 -24.392 1.00 0.00 C ATOM 312 C LYS A 24 -9.888 -14.655 -24.432 1.00 0.00 C ATOM 313 O LYS A 24 -10.632 -13.703 -24.194 1.00 0.00 O ATOM 314 CB LYS A 24 -11.460 -16.287 -25.492 1.00 0.00 C ATOM 315 CG LYS A 24 -10.960 -15.922 -26.879 1.00 0.00 C ATOM 316 CD LYS A 24 -11.621 -16.772 -27.952 1.00 0.00 C ATOM 317 CE LYS A 24 -13.000 -16.240 -28.313 1.00 0.00 C ATOM 318 NZ LYS A 24 -14.083 -17.159 -27.867 1.00 0.00 N ATOM 0 H LYS A 24 -11.989 -16.600 -23.105 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.581 -16.766 -24.563 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.779 -17.329 -25.492 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.339 -15.685 -25.261 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.161 -14.868 -27.073 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.879 -16.054 -26.924 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.992 -16.790 -28.842 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.707 -17.801 -27.601 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.143 -15.261 -27.855 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.064 -16.100 -29.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.007 -16.761 -28.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.962 -18.086 -28.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.038 -17.273 -26.834 1.00 0.00 H new ATOM 332 N CYS A 25 -8.603 -14.511 -24.735 1.00 0.00 N ATOM 333 CA CYS A 25 -7.977 -13.196 -24.807 1.00 0.00 C ATOM 334 C CYS A 25 -8.714 -12.296 -25.794 1.00 0.00 C ATOM 335 O CYS A 25 -8.967 -12.684 -26.934 1.00 0.00 O ATOM 336 CB CYS A 25 -6.510 -13.328 -25.217 1.00 0.00 C ATOM 337 SG CYS A 25 -5.378 -12.298 -24.254 1.00 0.00 S ATOM 0 H CYS A 25 -7.974 -15.289 -24.935 1.00 0.00 H new ATOM 0 HA CYS A 25 -8.031 -12.741 -23.818 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.209 -14.371 -25.118 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.414 -13.067 -26.271 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.151 -12.633 -24.524 1.00 0.00 H new ATOM 343 N VAL A 26 -9.058 -11.093 -25.346 1.00 0.00 N ATOM 344 CA VAL A 26 -9.768 -10.137 -26.189 1.00 0.00 C ATOM 345 C VAL A 26 -8.967 -9.813 -27.445 1.00 0.00 C ATOM 346 O VAL A 26 -9.531 -9.650 -28.528 1.00 0.00 O ATOM 347 CB VAL A 26 -10.063 -8.830 -25.430 1.00 0.00 C ATOM 348 CG1 VAL A 26 -8.767 -8.160 -24.997 1.00 0.00 C ATOM 349 CG2 VAL A 26 -10.897 -7.892 -26.289 1.00 0.00 C ATOM 0 H VAL A 26 -8.857 -10.757 -24.404 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.711 -10.604 -26.473 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.636 -9.071 -24.535 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.995 -7.238 -24.462 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.211 -8.831 -24.342 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.165 -7.930 -25.876 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.096 -6.973 -25.737 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.353 -7.655 -27.203 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.841 -8.374 -26.543 1.00 0.00 H new ATOM 359 N ASP A 27 -7.651 -9.721 -27.294 1.00 0.00 N ATOM 360 CA ASP A 27 -6.772 -9.418 -28.417 1.00 0.00 C ATOM 361 C ASP A 27 -6.231 -10.699 -29.045 1.00 0.00 C ATOM 362 O ASP A 27 -6.162 -10.821 -30.268 1.00 0.00 O ATOM 363 CB ASP A 27 -5.613 -8.531 -27.960 1.00 0.00 C ATOM 364 CG ASP A 27 -4.525 -8.413 -29.009 1.00 0.00 C ATOM 365 OD1 ASP A 27 -3.978 -9.460 -29.416 1.00 0.00 O ATOM 366 OD2 ASP A 27 -4.219 -7.275 -29.423 1.00 0.00 O ATOM 0 H ASP A 27 -7.169 -9.852 -26.405 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.354 -8.884 -29.168 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.992 -7.537 -27.721 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.187 -8.939 -27.043 1.00 0.00 H new ATOM 371 N ARG A 28 -5.847 -11.650 -28.200 1.00 0.00 N ATOM 372 CA ARG A 28 -5.310 -12.920 -28.672 1.00 0.00 C ATOM 373 C ARG A 28 -6.432 -13.916 -28.948 1.00 0.00 C ATOM 374 O ARG A 28 -7.608 -13.613 -28.746 1.00 0.00 O ATOM 375 CB ARG A 28 -4.339 -13.502 -27.642 1.00 0.00 C ATOM 376 CG ARG A 28 -2.886 -13.468 -28.087 1.00 0.00 C ATOM 377 CD ARG A 28 -2.132 -14.704 -27.624 1.00 0.00 C ATOM 378 NE ARG A 28 -0.762 -14.730 -28.129 1.00 0.00 N ATOM 379 CZ ARG A 28 -0.441 -15.094 -29.365 1.00 0.00 C ATOM 380 NH1 ARG A 28 -1.387 -15.459 -30.219 1.00 0.00 N ATOM 381 NH2 ARG A 28 0.829 -15.092 -29.750 1.00 0.00 N ATOM 0 H ARG A 28 -5.898 -11.565 -27.185 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.774 -12.735 -29.603 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.437 -12.947 -26.709 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.622 -14.533 -27.431 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.839 -13.398 -29.174 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.403 -12.576 -27.689 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.117 -14.733 -26.534 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.659 -15.597 -27.959 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.010 -14.453 -27.498 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.364 -15.461 -29.927 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.137 -15.738 -31.168 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.560 -14.811 -29.096 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.074 -15.372 -30.700 1.00 0.00 H new ATOM 395 N ASP A 29 -6.061 -15.105 -29.412 1.00 0.00 N ATOM 396 CA ASP A 29 -7.036 -16.146 -29.715 1.00 0.00 C ATOM 397 C ASP A 29 -6.742 -17.414 -28.920 1.00 0.00 C ATOM 398 O ASP A 29 -6.726 -18.515 -29.471 1.00 0.00 O ATOM 399 CB ASP A 29 -7.033 -16.456 -31.213 1.00 0.00 C ATOM 400 CG ASP A 29 -7.656 -15.344 -32.035 1.00 0.00 C ATOM 401 OD1 ASP A 29 -8.630 -14.727 -31.557 1.00 0.00 O ATOM 402 OD2 ASP A 29 -7.169 -15.092 -33.158 1.00 0.00 O ATOM 0 H ASP A 29 -5.092 -15.371 -29.586 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.022 -15.780 -29.429 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.008 -16.619 -31.545 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.577 -17.384 -31.390 1.00 0.00 H new ATOM 407 N VAL A 30 -6.510 -17.252 -27.622 1.00 0.00 N ATOM 408 CA VAL A 30 -6.216 -18.384 -26.750 1.00 0.00 C ATOM 409 C VAL A 30 -6.909 -18.232 -25.401 1.00 0.00 C ATOM 410 O VAL A 30 -7.073 -17.120 -24.897 1.00 0.00 O ATOM 411 CB VAL A 30 -4.701 -18.539 -26.523 1.00 0.00 C ATOM 412 CG1 VAL A 30 -4.001 -18.907 -27.822 1.00 0.00 C ATOM 413 CG2 VAL A 30 -4.117 -17.263 -25.936 1.00 0.00 C ATOM 0 H VAL A 30 -6.520 -16.348 -27.150 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.593 -19.276 -27.250 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.539 -19.347 -25.810 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.931 -19.012 -27.642 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.400 -19.850 -28.196 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.169 -18.123 -28.561 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.045 -17.390 -25.782 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.289 -16.434 -26.623 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.598 -17.048 -24.982 1.00 0.00 H new ATOM 423 N ARG A 31 -7.313 -19.357 -24.819 1.00 0.00 N ATOM 424 CA ARG A 31 -7.988 -19.349 -23.527 1.00 0.00 C ATOM 425 C ARG A 31 -6.979 -19.255 -22.387 1.00 0.00 C ATOM 426 O ARG A 31 -5.847 -19.722 -22.506 1.00 0.00 O ATOM 427 CB ARG A 31 -8.840 -20.609 -23.366 1.00 0.00 C ATOM 428 CG ARG A 31 -9.778 -20.865 -24.535 1.00 0.00 C ATOM 429 CD ARG A 31 -10.746 -21.997 -24.235 1.00 0.00 C ATOM 430 NE ARG A 31 -10.624 -23.091 -25.195 1.00 0.00 N ATOM 431 CZ ARG A 31 -11.063 -23.023 -26.446 1.00 0.00 C ATOM 432 NH1 ARG A 31 -11.650 -21.920 -26.887 1.00 0.00 N ATOM 433 NH2 ARG A 31 -10.915 -24.061 -27.260 1.00 0.00 N ATOM 0 H ARG A 31 -7.184 -20.285 -25.222 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.636 -18.473 -23.489 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.182 -21.469 -23.245 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.427 -20.526 -22.452 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.337 -19.957 -24.760 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.196 -21.109 -25.423 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.561 -22.375 -23.229 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.767 -21.614 -24.249 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.177 -23.955 -24.887 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.766 -21.120 -26.265 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.986 -21.871 -27.849 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.464 -24.912 -26.924 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.253 -24.008 -28.221 1.00 0.00 H new ATOM 447 N MET A 32 -7.398 -18.647 -21.281 1.00 0.00 N ATOM 448 CA MET A 32 -6.531 -18.492 -20.119 1.00 0.00 C ATOM 449 C MET A 32 -7.034 -19.333 -18.950 1.00 0.00 C ATOM 450 O MET A 32 -7.700 -18.824 -18.048 1.00 0.00 O ATOM 451 CB MET A 32 -6.451 -17.021 -19.708 1.00 0.00 C ATOM 452 CG MET A 32 -5.912 -16.811 -18.302 1.00 0.00 C ATOM 453 SD MET A 32 -4.476 -15.722 -18.264 1.00 0.00 S ATOM 454 CE MET A 32 -3.193 -16.871 -17.773 1.00 0.00 C ATOM 0 H MET A 32 -8.332 -18.254 -21.166 1.00 0.00 H new ATOM 0 HA MET A 32 -5.534 -18.840 -20.391 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.815 -16.489 -20.415 1.00 0.00 H new ATOM 0 HB3 MET A 32 -7.445 -16.578 -19.777 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.698 -16.391 -17.675 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.643 -17.776 -17.872 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.346 -16.319 -17.366 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.583 -17.549 -17.014 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.868 -17.446 -18.640 1.00 0.00 H new ATOM 464 N PHE A 33 -6.712 -20.622 -18.971 1.00 0.00 N ATOM 465 CA PHE A 33 -7.133 -21.533 -17.913 1.00 0.00 C ATOM 466 C PHE A 33 -6.985 -20.879 -16.542 1.00 0.00 C ATOM 467 O PHE A 33 -5.877 -20.557 -16.112 1.00 0.00 O ATOM 468 CB PHE A 33 -6.313 -22.824 -17.967 1.00 0.00 C ATOM 469 CG PHE A 33 -6.945 -23.966 -17.224 1.00 0.00 C ATOM 470 CD1 PHE A 33 -6.917 -24.009 -15.839 1.00 0.00 C ATOM 471 CD2 PHE A 33 -7.567 -24.996 -17.911 1.00 0.00 C ATOM 472 CE1 PHE A 33 -7.497 -25.060 -15.154 1.00 0.00 C ATOM 473 CE2 PHE A 33 -8.149 -26.049 -17.231 1.00 0.00 C ATOM 474 CZ PHE A 33 -8.115 -26.081 -15.850 1.00 0.00 C ATOM 0 H PHE A 33 -6.161 -21.059 -19.709 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.185 -21.772 -18.070 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.172 -23.112 -19.009 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.323 -22.634 -17.552 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.437 -23.213 -15.289 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.597 -24.976 -18.990 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.467 -25.083 -14.075 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.630 -26.846 -17.778 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.570 -26.902 -15.316 1.00 0.00 H new ATOM 484 N PHE A 34 -8.109 -20.686 -15.861 1.00 0.00 N ATOM 485 CA PHE A 34 -8.106 -20.069 -14.540 1.00 0.00 C ATOM 486 C PHE A 34 -8.799 -20.968 -13.519 1.00 0.00 C ATOM 487 O PHE A 34 -9.548 -21.875 -13.881 1.00 0.00 O ATOM 488 CB PHE A 34 -8.799 -18.706 -14.588 1.00 0.00 C ATOM 489 CG PHE A 34 -10.293 -18.796 -14.709 1.00 0.00 C ATOM 490 CD1 PHE A 34 -11.084 -18.956 -13.583 1.00 0.00 C ATOM 491 CD2 PHE A 34 -10.907 -18.721 -15.949 1.00 0.00 C ATOM 492 CE1 PHE A 34 -12.459 -19.040 -13.691 1.00 0.00 C ATOM 493 CE2 PHE A 34 -12.282 -18.805 -16.064 1.00 0.00 C ATOM 494 CZ PHE A 34 -13.059 -18.963 -14.933 1.00 0.00 C ATOM 0 H PHE A 34 -9.034 -20.948 -16.202 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.069 -19.931 -14.234 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.549 -18.148 -13.685 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.408 -18.138 -15.432 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.621 -19.016 -12.609 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.304 -18.595 -16.836 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -13.064 -19.166 -12.805 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.748 -18.747 -17.037 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.134 -19.026 -15.019 1.00 0.00 H new ATOM 504 N HIS A 35 -8.541 -20.709 -12.241 1.00 0.00 N ATOM 505 CA HIS A 35 -9.139 -21.494 -11.166 1.00 0.00 C ATOM 506 C HIS A 35 -10.110 -20.646 -10.350 1.00 0.00 C ATOM 507 O HIS A 35 -9.992 -19.421 -10.303 1.00 0.00 O ATOM 508 CB HIS A 35 -8.051 -22.063 -10.256 1.00 0.00 C ATOM 509 CG HIS A 35 -7.750 -23.508 -10.514 1.00 0.00 C ATOM 510 ND1 HIS A 35 -7.072 -24.307 -9.618 1.00 0.00 N ATOM 511 CD2 HIS A 35 -8.041 -24.297 -11.574 1.00 0.00 C ATOM 512 CE1 HIS A 35 -6.957 -25.525 -10.117 1.00 0.00 C ATOM 513 NE2 HIS A 35 -7.537 -25.545 -11.303 1.00 0.00 N ATOM 0 H HIS A 35 -7.922 -19.962 -11.924 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.693 -22.318 -11.616 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.139 -21.481 -10.387 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.359 -21.944 -9.217 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.571 -24.000 -12.467 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.471 -26.362 -9.637 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -7.600 -26.356 -11.918 1.00 0.00 H new ATOM 521 N PHE A 36 -11.068 -21.305 -9.708 1.00 0.00 N ATOM 522 CA PHE A 36 -12.060 -20.612 -8.894 1.00 0.00 C ATOM 523 C PHE A 36 -11.493 -20.270 -7.519 1.00 0.00 C ATOM 524 O PHE A 36 -12.164 -20.435 -6.501 1.00 0.00 O ATOM 525 CB PHE A 36 -13.316 -21.472 -8.740 1.00 0.00 C ATOM 526 CG PHE A 36 -14.257 -21.374 -9.907 1.00 0.00 C ATOM 527 CD1 PHE A 36 -14.096 -22.191 -11.015 1.00 0.00 C ATOM 528 CD2 PHE A 36 -15.302 -20.464 -9.897 1.00 0.00 C ATOM 529 CE1 PHE A 36 -14.960 -22.103 -12.090 1.00 0.00 C ATOM 530 CE2 PHE A 36 -16.169 -20.372 -10.969 1.00 0.00 C ATOM 531 CZ PHE A 36 -15.997 -21.192 -12.067 1.00 0.00 C ATOM 0 H PHE A 36 -11.179 -22.319 -9.735 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.324 -19.683 -9.400 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -13.020 -22.513 -8.609 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -13.842 -21.173 -7.833 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -13.286 -22.905 -11.039 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -15.440 -19.819 -9.042 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -14.824 -22.746 -12.947 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -16.980 -19.660 -10.948 1.00 0.00 H new ATOM 0 HZ PHE A 36 -16.673 -21.121 -12.906 1.00 0.00 H new ATOM 541 N SER A 37 -10.253 -19.793 -7.500 1.00 0.00 N ATOM 542 CA SER A 37 -9.592 -19.431 -6.251 1.00 0.00 C ATOM 543 C SER A 37 -9.020 -18.019 -6.328 1.00 0.00 C ATOM 544 O SER A 37 -8.925 -17.321 -5.319 1.00 0.00 O ATOM 545 CB SER A 37 -8.477 -20.429 -5.931 1.00 0.00 C ATOM 546 OG SER A 37 -9.010 -21.657 -5.467 1.00 0.00 O ATOM 0 H SER A 37 -9.685 -19.648 -8.335 1.00 0.00 H new ATOM 0 HA SER A 37 -10.335 -19.460 -5.454 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.874 -20.604 -6.822 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.814 -20.008 -5.175 1.00 0.00 H new ATOM 0 HG SER A 37 -8.278 -22.278 -5.271 1.00 0.00 H new ATOM 552 N GLU A 38 -8.641 -17.606 -7.533 1.00 0.00 N ATOM 553 CA GLU A 38 -8.077 -16.278 -7.743 1.00 0.00 C ATOM 554 C GLU A 38 -9.180 -15.228 -7.844 1.00 0.00 C ATOM 555 O GLU A 38 -8.924 -14.030 -7.721 1.00 0.00 O ATOM 556 CB GLU A 38 -7.220 -16.257 -9.010 1.00 0.00 C ATOM 557 CG GLU A 38 -6.025 -17.194 -8.952 1.00 0.00 C ATOM 558 CD GLU A 38 -5.084 -16.869 -7.809 1.00 0.00 C ATOM 559 OE1 GLU A 38 -5.488 -17.046 -6.640 1.00 0.00 O ATOM 560 OE2 GLU A 38 -3.944 -16.438 -8.082 1.00 0.00 O ATOM 0 H GLU A 38 -8.714 -18.172 -8.379 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.449 -16.039 -6.885 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.842 -16.527 -9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.866 -15.241 -9.182 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.377 -18.220 -8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.479 -17.139 -9.894 1.00 0.00 H new ATOM 567 N ILE A 39 -10.406 -15.687 -8.071 1.00 0.00 N ATOM 568 CA ILE A 39 -11.548 -14.789 -8.189 1.00 0.00 C ATOM 569 C ILE A 39 -11.899 -14.166 -6.842 1.00 0.00 C ATOM 570 O ILE A 39 -12.843 -13.382 -6.735 1.00 0.00 O ATOM 571 CB ILE A 39 -12.785 -15.521 -8.741 1.00 0.00 C ATOM 572 CG1 ILE A 39 -12.425 -16.288 -10.015 1.00 0.00 C ATOM 573 CG2 ILE A 39 -13.909 -14.532 -9.012 1.00 0.00 C ATOM 574 CD1 ILE A 39 -13.526 -17.204 -10.501 1.00 0.00 C ATOM 0 H ILE A 39 -10.634 -16.676 -8.177 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.260 -14.002 -8.887 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.129 -16.236 -7.994 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.183 -15.574 -10.803 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.527 -16.878 -9.833 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -14.776 -15.065 -9.402 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.180 -14.026 -8.085 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.577 -13.795 -9.743 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.201 -17.715 -11.407 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -13.753 -17.941 -9.731 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.419 -16.617 -10.716 1.00 0.00 H new ATOM 586 N LEU A 40 -11.133 -14.519 -5.815 1.00 0.00 N ATOM 587 CA LEU A 40 -11.361 -13.994 -4.474 1.00 0.00 C ATOM 588 C LEU A 40 -11.420 -12.470 -4.489 1.00 0.00 C ATOM 589 O LEU A 40 -12.037 -11.854 -3.620 1.00 0.00 O ATOM 590 CB LEU A 40 -10.256 -14.463 -3.526 1.00 0.00 C ATOM 591 CG LEU A 40 -8.824 -14.333 -4.047 1.00 0.00 C ATOM 592 CD1 LEU A 40 -8.382 -12.878 -4.035 1.00 0.00 C ATOM 593 CD2 LEU A 40 -7.875 -15.187 -3.220 1.00 0.00 C ATOM 0 H LEU A 40 -10.348 -15.167 -5.886 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.320 -14.373 -4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.336 -13.897 -2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.437 -15.509 -3.278 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.799 -14.691 -5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.361 -12.805 -4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.044 -12.291 -4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.424 -12.493 -3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.861 -15.082 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.904 -14.860 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.179 -16.232 -3.280 1.00 0.00 H new ATOM 605 N ASP A 41 -10.776 -11.868 -5.483 1.00 0.00 N ATOM 606 CA ASP A 41 -10.758 -10.415 -5.614 1.00 0.00 C ATOM 607 C ASP A 41 -12.141 -9.828 -5.347 1.00 0.00 C ATOM 608 O ASP A 41 -12.267 -8.695 -4.886 1.00 0.00 O ATOM 609 CB ASP A 41 -10.281 -10.013 -7.010 1.00 0.00 C ATOM 610 CG ASP A 41 -8.824 -9.593 -7.025 1.00 0.00 C ATOM 611 OD1 ASP A 41 -8.050 -10.109 -6.192 1.00 0.00 O ATOM 612 OD2 ASP A 41 -8.459 -8.748 -7.869 1.00 0.00 O ATOM 0 H ASP A 41 -10.260 -12.363 -6.210 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.065 -10.017 -4.873 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.422 -10.850 -7.694 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.897 -9.193 -7.379 1.00 0.00 H new ATOM 617 N GLY A 42 -13.177 -10.609 -5.641 1.00 0.00 N ATOM 618 CA GLY A 42 -14.536 -10.149 -5.427 1.00 0.00 C ATOM 619 C GLY A 42 -15.254 -9.838 -6.726 1.00 0.00 C ATOM 620 O GLY A 42 -15.210 -8.709 -7.212 1.00 0.00 O ATOM 0 H GLY A 42 -13.099 -11.551 -6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.093 -10.911 -4.881 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.520 -9.256 -4.801 1.00 0.00 H new ATOM 624 N ASN A 43 -15.915 -10.844 -7.290 1.00 0.00 N ATOM 625 CA ASN A 43 -16.644 -10.672 -8.542 1.00 0.00 C ATOM 626 C ASN A 43 -17.090 -12.020 -9.100 1.00 0.00 C ATOM 627 O ASN A 43 -16.267 -12.896 -9.365 1.00 0.00 O ATOM 628 CB ASN A 43 -15.772 -9.946 -9.568 1.00 0.00 C ATOM 629 CG ASN A 43 -16.101 -8.469 -9.665 1.00 0.00 C ATOM 630 OD1 ASN A 43 -15.099 -7.625 -9.453 1.00 0.00 O flip ATOM 631 ND2 ASN A 43 -17.244 -8.093 -9.927 1.00 0.00 N flip ATOM 0 H ASN A 43 -15.961 -11.786 -6.901 1.00 0.00 H new ATOM 0 HA ASN A 43 -17.530 -10.071 -8.339 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.723 -10.065 -9.298 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -15.904 -10.410 -10.546 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -17.983 -8.778 -10.082 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -17.451 -7.096 -9.989 1.00 0.00 H new ATOM 638 N GLN A 44 -18.398 -12.178 -9.276 1.00 0.00 N ATOM 639 CA GLN A 44 -18.953 -13.419 -9.803 1.00 0.00 C ATOM 640 C GLN A 44 -18.869 -13.450 -11.325 1.00 0.00 C ATOM 641 O GLN A 44 -19.462 -12.614 -12.008 1.00 0.00 O ATOM 642 CB GLN A 44 -20.408 -13.581 -9.358 1.00 0.00 C ATOM 643 CG GLN A 44 -20.574 -14.467 -8.134 1.00 0.00 C ATOM 644 CD GLN A 44 -21.969 -14.393 -7.545 1.00 0.00 C ATOM 645 OE1 GLN A 44 -22.563 -13.317 -7.459 1.00 0.00 O ATOM 646 NE2 GLN A 44 -22.501 -15.538 -7.135 1.00 0.00 N ATOM 0 H GLN A 44 -19.093 -11.463 -9.061 1.00 0.00 H new ATOM 0 HA GLN A 44 -18.365 -14.247 -9.408 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.825 -12.597 -9.144 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -20.987 -14.000 -10.181 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -20.352 -15.499 -8.405 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -19.848 -14.173 -7.376 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -21.974 -16.406 -7.225 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.437 -15.549 -6.730 1.00 0.00 H new ATOM 655 N LEU A 45 -18.128 -14.420 -11.852 1.00 0.00 N ATOM 656 CA LEU A 45 -17.966 -14.560 -13.295 1.00 0.00 C ATOM 657 C LEU A 45 -19.216 -15.162 -13.928 1.00 0.00 C ATOM 658 O LEU A 45 -20.131 -15.597 -13.228 1.00 0.00 O ATOM 659 CB LEU A 45 -16.750 -15.435 -13.608 1.00 0.00 C ATOM 660 CG LEU A 45 -15.406 -14.711 -13.693 1.00 0.00 C ATOM 661 CD1 LEU A 45 -15.209 -13.808 -12.485 1.00 0.00 C ATOM 662 CD2 LEU A 45 -14.267 -15.713 -13.804 1.00 0.00 C ATOM 0 H LEU A 45 -17.631 -15.120 -11.302 1.00 0.00 H new ATOM 0 HA LEU A 45 -17.811 -13.567 -13.717 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.676 -16.207 -12.842 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -16.927 -15.943 -14.556 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.405 -14.090 -14.589 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -14.247 -13.301 -12.563 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -16.008 -13.067 -12.450 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -15.230 -14.408 -11.575 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -13.318 -15.180 -13.864 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -14.265 -16.360 -12.927 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -14.400 -16.318 -14.701 1.00 0.00 H new ATOM 674 N HIS A 46 -19.248 -15.185 -15.256 1.00 0.00 N ATOM 675 CA HIS A 46 -20.385 -15.737 -15.984 1.00 0.00 C ATOM 676 C HIS A 46 -20.115 -15.749 -17.486 1.00 0.00 C ATOM 677 O HIS A 46 -19.297 -14.976 -17.985 1.00 0.00 O ATOM 678 CB HIS A 46 -21.648 -14.928 -15.688 1.00 0.00 C ATOM 679 CG HIS A 46 -22.761 -15.745 -15.108 1.00 0.00 C ATOM 680 ND1 HIS A 46 -23.695 -16.401 -15.883 1.00 0.00 N ATOM 681 CD2 HIS A 46 -23.086 -16.013 -13.822 1.00 0.00 C ATOM 682 CE1 HIS A 46 -24.547 -17.036 -15.097 1.00 0.00 C ATOM 683 NE2 HIS A 46 -24.200 -16.816 -13.842 1.00 0.00 N ATOM 0 H HIS A 46 -18.500 -14.828 -15.850 1.00 0.00 H new ATOM 0 HA HIS A 46 -20.534 -16.764 -15.651 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.400 -14.123 -14.996 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.994 -14.460 -16.610 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -22.566 -15.661 -12.943 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -25.385 -17.633 -15.425 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -24.681 -17.183 -13.021 1.00 0.00 H new ATOM 691 N ILE A 47 -20.807 -16.630 -18.200 1.00 0.00 N ATOM 692 CA ILE A 47 -20.642 -16.742 -19.643 1.00 0.00 C ATOM 693 C ILE A 47 -20.432 -15.372 -20.280 1.00 0.00 C ATOM 694 O ILE A 47 -21.297 -14.500 -20.201 1.00 0.00 O ATOM 695 CB ILE A 47 -21.860 -17.419 -20.299 1.00 0.00 C ATOM 696 CG1 ILE A 47 -21.971 -18.874 -19.839 1.00 0.00 C ATOM 697 CG2 ILE A 47 -21.755 -17.343 -21.815 1.00 0.00 C ATOM 698 CD1 ILE A 47 -20.820 -19.742 -20.298 1.00 0.00 C ATOM 0 H ILE A 47 -21.488 -17.277 -17.802 1.00 0.00 H new ATOM 0 HA ILE A 47 -19.759 -17.359 -19.812 1.00 0.00 H new ATOM 0 HB ILE A 47 -22.762 -16.890 -19.990 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -22.023 -18.900 -18.751 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -22.904 -19.295 -20.213 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -22.623 -17.826 -22.264 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -21.719 -16.299 -22.125 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -20.848 -17.850 -22.143 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -20.965 -20.760 -19.936 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -20.780 -19.747 -21.387 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -19.885 -19.346 -19.902 1.00 0.00 H new ATOM 710 N ALA A 48 -19.278 -15.191 -20.913 1.00 0.00 N ATOM 711 CA ALA A 48 -18.955 -13.929 -21.567 1.00 0.00 C ATOM 712 C ALA A 48 -18.888 -12.788 -20.557 1.00 0.00 C ATOM 713 O ALA A 48 -19.754 -11.913 -20.537 1.00 0.00 O ATOM 714 CB ALA A 48 -19.979 -13.618 -22.649 1.00 0.00 C ATOM 0 H ALA A 48 -18.551 -15.903 -20.987 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.973 -14.029 -22.029 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.725 -12.673 -23.129 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -19.976 -14.415 -23.393 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -20.970 -13.543 -22.201 1.00 0.00 H new ATOM 720 N ASP A 49 -17.856 -12.805 -19.721 1.00 0.00 N ATOM 721 CA ASP A 49 -17.676 -11.771 -18.708 1.00 0.00 C ATOM 722 C ASP A 49 -16.245 -11.244 -18.718 1.00 0.00 C ATOM 723 O ASP A 49 -15.289 -12.016 -18.655 1.00 0.00 O ATOM 724 CB ASP A 49 -18.021 -12.320 -17.322 1.00 0.00 C ATOM 725 CG ASP A 49 -19.481 -12.120 -16.968 1.00 0.00 C ATOM 726 OD1 ASP A 49 -20.134 -11.263 -17.599 1.00 0.00 O ATOM 727 OD2 ASP A 49 -19.972 -12.821 -16.058 1.00 0.00 O ATOM 0 H ASP A 49 -17.131 -13.523 -19.724 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.349 -10.946 -18.942 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.784 -13.383 -17.286 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.398 -11.829 -16.574 1.00 0.00 H new ATOM 732 N GLU A 50 -16.106 -9.924 -18.799 1.00 0.00 N ATOM 733 CA GLU A 50 -14.791 -9.295 -18.819 1.00 0.00 C ATOM 734 C GLU A 50 -14.100 -9.435 -17.466 1.00 0.00 C ATOM 735 O GLU A 50 -14.691 -9.158 -16.422 1.00 0.00 O ATOM 736 CB GLU A 50 -14.915 -7.815 -19.190 1.00 0.00 C ATOM 737 CG GLU A 50 -15.402 -7.582 -20.610 1.00 0.00 C ATOM 738 CD GLU A 50 -16.309 -6.372 -20.725 1.00 0.00 C ATOM 739 OE1 GLU A 50 -17.012 -6.063 -19.740 1.00 0.00 O ATOM 740 OE2 GLU A 50 -16.316 -5.735 -21.798 1.00 0.00 O ATOM 0 H GLU A 50 -16.887 -9.271 -18.852 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.186 -9.802 -19.571 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.602 -7.331 -18.495 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.944 -7.335 -19.064 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.543 -7.451 -21.268 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.937 -8.466 -20.956 1.00 0.00 H new ATOM 747 N VAL A 51 -12.843 -9.868 -17.493 1.00 0.00 N ATOM 748 CA VAL A 51 -12.070 -10.045 -16.269 1.00 0.00 C ATOM 749 C VAL A 51 -10.625 -9.599 -16.463 1.00 0.00 C ATOM 750 O VAL A 51 -10.000 -9.910 -17.476 1.00 0.00 O ATOM 751 CB VAL A 51 -12.084 -11.514 -15.804 1.00 0.00 C ATOM 752 CG1 VAL A 51 -13.503 -11.962 -15.493 1.00 0.00 C ATOM 753 CG2 VAL A 51 -11.451 -12.411 -16.857 1.00 0.00 C ATOM 0 H VAL A 51 -12.339 -10.102 -18.348 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.540 -9.425 -15.505 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.496 -11.594 -14.890 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.493 -13.002 -15.166 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.917 -11.337 -14.702 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -14.118 -11.869 -16.388 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.469 -13.445 -16.513 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.011 -12.329 -17.789 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.419 -12.103 -17.025 1.00 0.00 H new ATOM 763 N GLU A 52 -10.101 -8.867 -15.484 1.00 0.00 N ATOM 764 CA GLU A 52 -8.730 -8.377 -15.548 1.00 0.00 C ATOM 765 C GLU A 52 -7.820 -9.186 -14.629 1.00 0.00 C ATOM 766 O GLU A 52 -8.122 -9.380 -13.451 1.00 0.00 O ATOM 767 CB GLU A 52 -8.675 -6.897 -15.164 1.00 0.00 C ATOM 768 CG GLU A 52 -7.273 -6.310 -15.199 1.00 0.00 C ATOM 769 CD GLU A 52 -6.697 -6.093 -13.813 1.00 0.00 C ATOM 770 OE1 GLU A 52 -6.206 -7.073 -13.215 1.00 0.00 O ATOM 771 OE2 GLU A 52 -6.737 -4.944 -13.327 1.00 0.00 O ATOM 0 H GLU A 52 -10.605 -8.601 -14.638 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.378 -8.492 -16.573 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.314 -6.331 -15.842 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.086 -6.775 -14.162 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.618 -6.976 -15.760 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.294 -5.360 -15.733 1.00 0.00 H new ATOM 778 N PHE A 53 -6.704 -9.657 -15.176 1.00 0.00 N ATOM 779 CA PHE A 53 -5.750 -10.448 -14.406 1.00 0.00 C ATOM 780 C PHE A 53 -4.318 -10.005 -14.696 1.00 0.00 C ATOM 781 O PHE A 53 -4.026 -9.466 -15.764 1.00 0.00 O ATOM 782 CB PHE A 53 -5.910 -11.935 -14.728 1.00 0.00 C ATOM 783 CG PHE A 53 -6.241 -12.205 -16.168 1.00 0.00 C ATOM 784 CD1 PHE A 53 -5.303 -11.975 -17.162 1.00 0.00 C ATOM 785 CD2 PHE A 53 -7.489 -12.688 -16.528 1.00 0.00 C ATOM 786 CE1 PHE A 53 -5.604 -12.222 -18.489 1.00 0.00 C ATOM 787 CE2 PHE A 53 -7.795 -12.937 -17.852 1.00 0.00 C ATOM 788 CZ PHE A 53 -6.852 -12.703 -18.834 1.00 0.00 C ATOM 0 H PHE A 53 -6.438 -9.505 -16.149 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.955 -10.289 -13.347 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.987 -12.455 -14.472 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.696 -12.352 -14.099 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.326 -11.599 -16.897 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.231 -12.872 -15.765 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.864 -12.039 -19.254 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.771 -13.314 -18.119 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.090 -12.896 -19.870 1.00 0.00 H new ATOM 798 N THR A 54 -3.428 -10.235 -13.736 1.00 0.00 N ATOM 799 CA THR A 54 -2.028 -9.859 -13.885 1.00 0.00 C ATOM 800 C THR A 54 -1.246 -10.936 -14.630 1.00 0.00 C ATOM 801 O THR A 54 -0.617 -10.665 -15.653 1.00 0.00 O ATOM 802 CB THR A 54 -1.364 -9.612 -12.518 1.00 0.00 C ATOM 803 OG1 THR A 54 -2.029 -8.543 -11.836 1.00 0.00 O ATOM 804 CG2 THR A 54 0.110 -9.274 -12.686 1.00 0.00 C ATOM 0 H THR A 54 -3.652 -10.680 -12.846 1.00 0.00 H new ATOM 0 HA THR A 54 -2.009 -8.934 -14.462 1.00 0.00 H new ATOM 0 HB THR A 54 -1.447 -10.525 -11.928 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.602 -8.394 -10.967 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.558 -9.104 -11.707 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.619 -10.102 -13.179 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.210 -8.374 -13.292 1.00 0.00 H new ATOM 968 N ASN A 65 1.070 -20.032 -17.741 1.00 0.00 N ATOM 969 CA ASN A 65 0.728 -18.745 -17.146 1.00 0.00 C ATOM 970 C ASN A 65 -0.709 -18.748 -16.632 1.00 0.00 C ATOM 971 O ASN A 65 -1.653 -18.937 -17.400 1.00 0.00 O ATOM 972 CB ASN A 65 0.914 -17.622 -18.168 1.00 0.00 C ATOM 973 CG ASN A 65 0.595 -18.068 -19.582 1.00 0.00 C ATOM 974 OD1 ASN A 65 1.301 -18.896 -20.157 1.00 0.00 O ATOM 975 ND2 ASN A 65 -0.473 -17.518 -20.148 1.00 0.00 N ATOM 0 HA ASN A 65 1.396 -18.573 -16.302 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.272 -16.782 -17.901 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.942 -17.263 -18.126 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.738 -17.778 -21.098 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.029 -16.835 -19.633 1.00 0.00 H new ATOM 982 N HIS A 66 -0.866 -18.536 -15.330 1.00 0.00 N ATOM 983 CA HIS A 66 -2.188 -18.513 -14.713 1.00 0.00 C ATOM 984 C HIS A 66 -2.605 -17.084 -14.375 1.00 0.00 C ATOM 985 O HIS A 66 -1.765 -16.191 -14.270 1.00 0.00 O ATOM 986 CB HIS A 66 -2.200 -19.373 -13.449 1.00 0.00 C ATOM 987 CG HIS A 66 -1.485 -18.746 -12.291 1.00 0.00 C ATOM 988 ND1 HIS A 66 -1.770 -19.050 -10.977 1.00 0.00 N ATOM 989 CD2 HIS A 66 -0.491 -17.827 -12.257 1.00 0.00 C ATOM 990 CE1 HIS A 66 -0.983 -18.345 -10.184 1.00 0.00 C ATOM 991 NE2 HIS A 66 -0.197 -17.595 -10.936 1.00 0.00 N ATOM 0 H HIS A 66 -0.095 -18.378 -14.681 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.902 -18.922 -15.428 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.233 -19.571 -13.164 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.741 -20.336 -13.671 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.018 -17.363 -13.110 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -0.982 -18.376 -9.104 1.00 0.00 H new ATOM 0 HE2 HIS A 66 0.513 -16.949 -10.591 1.00 0.00 H new ATOM 999 N ALA A 67 -3.907 -16.877 -14.207 1.00 0.00 N ATOM 1000 CA ALA A 67 -4.434 -15.558 -13.879 1.00 0.00 C ATOM 1001 C ALA A 67 -4.678 -15.421 -12.380 1.00 0.00 C ATOM 1002 O ALA A 67 -5.550 -16.087 -11.821 1.00 0.00 O ATOM 1003 CB ALA A 67 -5.719 -15.297 -14.651 1.00 0.00 C ATOM 0 H ALA A 67 -4.616 -17.605 -14.293 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.691 -14.815 -14.169 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.102 -14.309 -14.397 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.516 -15.343 -15.721 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.461 -16.052 -14.389 1.00 0.00 H new ATOM 1009 N ILE A 68 -3.903 -14.555 -11.736 1.00 0.00 N ATOM 1010 CA ILE A 68 -4.036 -14.331 -10.302 1.00 0.00 C ATOM 1011 C ILE A 68 -4.999 -13.185 -10.012 1.00 0.00 C ATOM 1012 O ILE A 68 -5.269 -12.353 -10.878 1.00 0.00 O ATOM 1013 CB ILE A 68 -2.675 -14.021 -9.652 1.00 0.00 C ATOM 1014 CG1 ILE A 68 -2.006 -12.839 -10.357 1.00 0.00 C ATOM 1015 CG2 ILE A 68 -1.776 -15.247 -9.695 1.00 0.00 C ATOM 1016 CD1 ILE A 68 -1.103 -12.029 -9.454 1.00 0.00 C ATOM 0 H ILE A 68 -3.176 -13.997 -12.185 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.432 -15.252 -9.874 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.840 -13.752 -8.609 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.424 -13.211 -11.200 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.777 -12.186 -10.766 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.818 -15.012 -9.232 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.250 -16.065 -9.153 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.615 -15.544 -10.731 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.663 -11.208 -10.021 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.684 -11.627 -8.624 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.310 -12.667 -9.065 1.00 0.00 H new ATOM 1028 N ARG A 69 -5.511 -13.146 -8.786 1.00 0.00 N ATOM 1029 CA ARG A 69 -6.444 -12.101 -8.381 1.00 0.00 C ATOM 1030 C ARG A 69 -7.339 -11.689 -9.546 1.00 0.00 C ATOM 1031 O ARG A 69 -7.128 -10.645 -10.164 1.00 0.00 O ATOM 1032 CB ARG A 69 -5.681 -10.884 -7.855 1.00 0.00 C ATOM 1033 CG ARG A 69 -4.994 -11.125 -6.520 1.00 0.00 C ATOM 1034 CD ARG A 69 -4.995 -9.872 -5.659 1.00 0.00 C ATOM 1035 NE ARG A 69 -4.096 -8.848 -6.182 1.00 0.00 N ATOM 1036 CZ ARG A 69 -2.771 -8.935 -6.128 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -2.196 -9.995 -5.578 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -2.020 -7.962 -6.627 1.00 0.00 N ATOM 0 H ARG A 69 -5.296 -13.825 -8.056 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.074 -12.499 -7.585 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.933 -10.589 -8.591 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.373 -10.049 -7.752 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.499 -11.932 -5.990 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.968 -11.449 -6.691 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.007 -9.471 -5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.698 -10.130 -4.643 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.507 -8.020 -6.613 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.771 -10.746 -5.195 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.179 -10.060 -5.538 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.459 -7.146 -7.053 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.003 -8.030 -6.585 1.00 0.00 H new ATOM 1052 N ILE A 70 -8.337 -12.516 -9.839 1.00 0.00 N ATOM 1053 CA ILE A 70 -9.264 -12.237 -10.929 1.00 0.00 C ATOM 1054 C ILE A 70 -10.395 -11.323 -10.469 1.00 0.00 C ATOM 1055 O ILE A 70 -11.164 -11.672 -9.573 1.00 0.00 O ATOM 1056 CB ILE A 70 -9.867 -13.533 -11.501 1.00 0.00 C ATOM 1057 CG1 ILE A 70 -8.784 -14.362 -12.195 1.00 0.00 C ATOM 1058 CG2 ILE A 70 -10.996 -13.211 -12.468 1.00 0.00 C ATOM 1059 CD1 ILE A 70 -9.282 -15.692 -12.716 1.00 0.00 C ATOM 0 H ILE A 70 -8.524 -13.384 -9.337 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.691 -11.737 -11.710 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.276 -14.119 -10.678 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.373 -13.787 -13.025 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.968 -14.538 -11.494 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.412 -14.138 -12.864 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.776 -12.657 -11.945 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.610 -12.607 -13.289 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.461 -16.225 -13.195 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.666 -16.287 -11.887 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.078 -15.524 -13.441 1.00 0.00 H new ATOM 1071 N LYS A 71 -10.492 -10.152 -11.089 1.00 0.00 N ATOM 1072 CA LYS A 71 -11.530 -9.188 -10.747 1.00 0.00 C ATOM 1073 C LYS A 71 -12.202 -8.643 -12.003 1.00 0.00 C ATOM 1074 O LYS A 71 -11.541 -8.088 -12.882 1.00 0.00 O ATOM 1075 CB LYS A 71 -10.938 -8.037 -9.931 1.00 0.00 C ATOM 1076 CG LYS A 71 -11.985 -7.162 -9.264 1.00 0.00 C ATOM 1077 CD LYS A 71 -11.364 -5.915 -8.656 1.00 0.00 C ATOM 1078 CE LYS A 71 -11.250 -4.795 -9.678 1.00 0.00 C ATOM 1079 NZ LYS A 71 -10.068 -4.972 -10.565 1.00 0.00 N ATOM 0 H LYS A 71 -9.863 -9.848 -11.832 1.00 0.00 H new ATOM 0 HA LYS A 71 -12.283 -9.700 -10.147 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.278 -8.447 -9.166 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.323 -7.419 -10.584 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.740 -6.874 -9.996 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.495 -7.731 -8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.969 -5.580 -7.813 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.375 -6.154 -8.264 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.156 -4.762 -10.283 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.176 -3.838 -9.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.639 -4.045 -10.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.371 -5.585 -10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.368 -5.410 -11.459 1.00 0.00 H new ATOM 1093 N LYS A 72 -13.519 -8.802 -12.081 1.00 0.00 N ATOM 1094 CA LYS A 72 -14.281 -8.323 -13.228 1.00 0.00 C ATOM 1095 C LYS A 72 -14.064 -6.828 -13.440 1.00 0.00 C ATOM 1096 O LYS A 72 -13.810 -6.087 -12.490 1.00 0.00 O ATOM 1097 CB LYS A 72 -15.771 -8.610 -13.033 1.00 0.00 C ATOM 1098 CG LYS A 72 -16.389 -9.416 -14.162 1.00 0.00 C ATOM 1099 CD LYS A 72 -17.596 -10.207 -13.687 1.00 0.00 C ATOM 1100 CE LYS A 72 -18.710 -10.200 -14.723 1.00 0.00 C ATOM 1101 NZ LYS A 72 -19.833 -9.307 -14.324 1.00 0.00 N ATOM 0 H LYS A 72 -14.081 -9.259 -11.363 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.928 -8.853 -14.113 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.909 -9.149 -12.096 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.305 -7.664 -12.938 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.687 -8.746 -14.968 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.645 -10.098 -14.573 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.299 -11.235 -13.477 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.964 -9.784 -12.752 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.311 -9.874 -15.683 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.084 -11.214 -14.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.572 -9.330 -15.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -20.231 -9.633 -13.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.482 -8.334 -14.217 1.00 0.00 H new ATOM 1115 N LEU A 73 -14.167 -6.391 -14.690 1.00 0.00 N ATOM 1116 CA LEU A 73 -13.984 -4.983 -15.026 1.00 0.00 C ATOM 1117 C LEU A 73 -15.326 -4.302 -15.271 1.00 0.00 C ATOM 1118 O LEU A 73 -16.283 -4.914 -15.746 1.00 0.00 O ATOM 1119 CB LEU A 73 -13.096 -4.846 -16.265 1.00 0.00 C ATOM 1120 CG LEU A 73 -11.695 -5.447 -16.156 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -11.292 -6.103 -17.468 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -10.685 -4.380 -15.760 1.00 0.00 C ATOM 0 H LEU A 73 -14.376 -6.991 -15.488 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.499 -4.494 -14.182 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.606 -5.315 -17.107 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.998 -3.787 -16.502 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.709 -6.212 -15.379 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.292 -6.525 -17.371 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.999 -6.896 -17.710 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.296 -5.358 -18.264 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.693 -4.827 -15.687 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.674 -3.592 -16.513 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.963 -3.956 -14.795 1.00 0.00 H new ATOM 1134 N PRO A 74 -15.401 -3.005 -14.940 1.00 0.00 N ATOM 1135 CA PRO A 74 -16.621 -2.211 -15.118 1.00 0.00 C ATOM 1136 C PRO A 74 -16.938 -1.956 -16.587 1.00 0.00 C ATOM 1137 O PRO A 74 -16.038 -1.886 -17.424 1.00 0.00 O ATOM 1138 CB PRO A 74 -16.296 -0.896 -14.405 1.00 0.00 C ATOM 1139 CG PRO A 74 -14.810 -0.799 -14.448 1.00 0.00 C ATOM 1140 CD PRO A 74 -14.300 -2.211 -14.368 1.00 0.00 C ATOM 0 HA PRO A 74 -17.500 -2.720 -14.722 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -16.763 -0.048 -14.906 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -16.663 -0.901 -13.379 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.477 -0.315 -15.366 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.434 -0.201 -13.618 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.377 -2.337 -14.934 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -14.086 -2.503 -13.340 1.00 0.00 H new ATOM 1148 N LYS A 75 -18.223 -1.818 -16.895 1.00 0.00 N ATOM 1149 CA LYS A 75 -18.660 -1.569 -18.264 1.00 0.00 C ATOM 1150 C LYS A 75 -17.878 -0.414 -18.883 1.00 0.00 C ATOM 1151 O LYS A 75 -17.588 0.579 -18.218 1.00 0.00 O ATOM 1152 CB LYS A 75 -20.158 -1.258 -18.294 1.00 0.00 C ATOM 1153 CG LYS A 75 -20.931 -2.087 -19.306 1.00 0.00 C ATOM 1154 CD LYS A 75 -22.331 -2.409 -18.810 1.00 0.00 C ATOM 1155 CE LYS A 75 -22.782 -3.787 -19.269 1.00 0.00 C ATOM 1156 NZ LYS A 75 -22.961 -3.848 -20.746 1.00 0.00 N ATOM 0 H LYS A 75 -18.981 -1.874 -16.215 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.470 -2.469 -18.849 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -20.576 -1.429 -17.302 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -20.297 -0.201 -18.521 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.994 -1.545 -20.250 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.393 -3.014 -19.506 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -22.352 -2.362 -17.721 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -23.030 -1.656 -19.175 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -22.047 -4.531 -18.961 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -23.721 -4.044 -18.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -23.269 -4.803 -21.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -23.680 -3.156 -21.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -22.059 -3.628 -21.214 1.00 0.00 H new ATOM 1170 N GLY A 76 -17.541 -0.552 -20.162 1.00 0.00 N ATOM 1171 CA GLY A 76 -16.797 0.487 -20.849 1.00 0.00 C ATOM 1172 C GLY A 76 -15.303 0.383 -20.614 1.00 0.00 C ATOM 1173 O GLY A 76 -14.685 1.302 -20.075 1.00 0.00 O ATOM 0 H GLY A 76 -17.770 -1.365 -20.734 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -16.998 0.427 -21.919 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -17.147 1.463 -20.513 1.00 0.00 H new ATOM 1177 N THR A 77 -14.719 -0.741 -21.016 1.00 0.00 N ATOM 1178 CA THR A 77 -13.289 -0.964 -20.844 1.00 0.00 C ATOM 1179 C THR A 77 -12.749 -1.915 -21.906 1.00 0.00 C ATOM 1180 O THR A 77 -11.714 -1.653 -22.520 1.00 0.00 O ATOM 1181 CB THR A 77 -12.974 -1.538 -19.450 1.00 0.00 C ATOM 1182 OG1 THR A 77 -13.444 -0.644 -18.435 1.00 0.00 O ATOM 1183 CG2 THR A 77 -11.478 -1.762 -19.283 1.00 0.00 C ATOM 0 H THR A 77 -15.215 -1.512 -21.463 1.00 0.00 H new ATOM 0 HA THR A 77 -12.803 0.006 -20.948 1.00 0.00 H new ATOM 0 HB THR A 77 -13.482 -2.497 -19.352 1.00 0.00 H new ATOM 0 HG1 THR A 77 -14.285 -0.984 -18.063 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.279 -2.168 -18.291 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.129 -2.465 -20.039 1.00 0.00 H new ATOM 0 HG23 THR A 77 -10.953 -0.814 -19.399 1.00 0.00 H new ATOM 1191 N VAL A 78 -13.456 -3.020 -22.120 1.00 0.00 N ATOM 1192 CA VAL A 78 -13.048 -4.009 -23.110 1.00 0.00 C ATOM 1193 C VAL A 78 -13.979 -3.996 -24.316 1.00 0.00 C ATOM 1194 O VAL A 78 -15.166 -3.693 -24.194 1.00 0.00 O ATOM 1195 CB VAL A 78 -13.023 -5.428 -22.509 1.00 0.00 C ATOM 1196 CG1 VAL A 78 -12.429 -6.417 -23.500 1.00 0.00 C ATOM 1197 CG2 VAL A 78 -12.247 -5.438 -21.201 1.00 0.00 C ATOM 0 H VAL A 78 -14.314 -3.253 -21.621 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.041 -3.740 -23.430 1.00 0.00 H new ATOM 0 HB VAL A 78 -14.048 -5.734 -22.299 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.419 -7.413 -23.058 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.032 -6.428 -24.408 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.410 -6.119 -23.745 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.239 -6.448 -20.790 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.223 -5.112 -21.383 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.722 -4.761 -20.491 1.00 0.00 H new