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 Single : A 10 MET CE :methyl 179:sc= 0 (180deg=-0.000121) USER MOD Single : A 16 MET CE :methyl 168:sc= -2.89! (180deg=-3.35!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 140:sc=-0.00756 (180deg=-1.23) 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= -1.99! C(o=-2!,f=-2!) USER MOD Single : A 44 GLN : amide:sc= -0.272 K(o=-0.27,f=-1.8!) USER MOD Single : A 46 HIS : no HD1:sc= -0.829 K(o=-0.83,f=-0.095) USER MOD Single : A 54 THR OG1 : rot -160:sc=-0.00132 USER MOD Single : A 65 ASN : amide:sc= -0.0186 X(o=-0.019,f=-0.16) USER MOD Single : A 66 HIS : no HD1:sc= -2.23! K(o=-2.2!,f=-0.81) USER MOD Single : A 71 LYS NZ :NH3+ -143:sc= -0.238 (180deg=-0.713) USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0153) 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 -1.535 -5.647 -17.947 1.00 0.00 N ATOM 67 CA ARG A 8 -2.734 -6.405 -17.607 1.00 0.00 C ATOM 68 C ARG A 8 -3.569 -6.687 -18.853 1.00 0.00 C ATOM 69 O ARG A 8 -3.861 -5.782 -19.634 1.00 0.00 O ATOM 70 CB ARG A 8 -3.572 -5.641 -16.580 1.00 0.00 C ATOM 71 CG ARG A 8 -3.877 -4.209 -16.987 1.00 0.00 C ATOM 72 CD ARG A 8 -3.120 -3.212 -16.124 1.00 0.00 C ATOM 73 NE ARG A 8 -3.631 -1.853 -16.281 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.163 -0.809 -15.606 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.177 -0.967 -14.734 1.00 0.00 N ATOM 76 NH2 ARG A 8 -3.680 0.397 -15.805 1.00 0.00 N ATOM 0 HA ARG A 8 -2.423 -7.356 -17.176 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.510 -6.172 -16.422 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.045 -5.634 -15.626 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.610 -4.062 -18.034 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -4.948 -4.026 -16.902 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.194 -3.509 -15.078 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.063 -3.234 -16.387 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.389 -1.697 -16.945 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.776 -1.892 -14.580 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.820 -0.164 -14.217 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.437 0.523 -16.477 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.320 1.198 -15.286 1.00 0.00 H new ATOM 90 N GLU A 9 -3.949 -7.949 -19.030 1.00 0.00 N ATOM 91 CA GLU A 9 -4.750 -8.350 -20.182 1.00 0.00 C ATOM 92 C GLU A 9 -6.169 -8.715 -19.757 1.00 0.00 C ATOM 93 O GLU A 9 -6.399 -9.139 -18.625 1.00 0.00 O ATOM 94 CB GLU A 9 -4.098 -9.536 -20.896 1.00 0.00 C ATOM 95 CG GLU A 9 -2.755 -9.204 -21.524 1.00 0.00 C ATOM 96 CD GLU A 9 -2.706 -9.534 -23.003 1.00 0.00 C ATOM 97 OE1 GLU A 9 -2.555 -10.727 -23.340 1.00 0.00 O ATOM 98 OE2 GLU A 9 -2.818 -8.600 -23.824 1.00 0.00 O ATOM 0 H GLU A 9 -3.716 -8.710 -18.392 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.801 -7.505 -20.869 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.965 -10.350 -20.183 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.773 -9.898 -21.672 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.545 -8.143 -21.385 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.970 -9.755 -21.006 1.00 0.00 H new ATOM 105 N MET A 10 -7.116 -8.546 -20.673 1.00 0.00 N ATOM 106 CA MET A 10 -8.513 -8.858 -20.394 1.00 0.00 C ATOM 107 C MET A 10 -9.058 -9.862 -21.405 1.00 0.00 C ATOM 108 O MET A 10 -8.520 -10.008 -22.502 1.00 0.00 O ATOM 109 CB MET A 10 -9.358 -7.583 -20.418 1.00 0.00 C ATOM 110 CG MET A 10 -8.769 -6.448 -19.596 1.00 0.00 C ATOM 111 SD MET A 10 -7.458 -5.568 -20.466 1.00 0.00 S ATOM 112 CE MET A 10 -7.920 -3.868 -20.145 1.00 0.00 C ATOM 0 H MET A 10 -6.942 -8.195 -21.615 1.00 0.00 H new ATOM 0 HA MET A 10 -8.568 -9.303 -19.400 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.472 -7.252 -21.450 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.356 -7.811 -20.044 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.560 -5.746 -19.334 1.00 0.00 H new ATOM 0 HG3 MET A 10 -8.375 -6.848 -18.662 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.192 -3.200 -20.605 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.907 -3.674 -20.565 1.00 0.00 H new ATOM 0 HE3 MET A 10 -7.943 -3.694 -19.069 1.00 0.00 H new ATOM 122 N GLY A 11 -10.130 -10.553 -21.028 1.00 0.00 N ATOM 123 CA GLY A 11 -10.729 -11.535 -21.913 1.00 0.00 C ATOM 124 C GLY A 11 -12.100 -11.979 -21.443 1.00 0.00 C ATOM 125 O GLY A 11 -12.453 -11.800 -20.277 1.00 0.00 O ATOM 0 H GLY A 11 -10.594 -10.450 -20.126 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.810 -11.114 -22.915 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.074 -12.403 -21.984 1.00 0.00 H new ATOM 129 N VAL A 12 -12.877 -12.559 -22.353 1.00 0.00 N ATOM 130 CA VAL A 12 -14.217 -13.030 -22.025 1.00 0.00 C ATOM 131 C VAL A 12 -14.212 -14.519 -21.698 1.00 0.00 C ATOM 132 O VAL A 12 -13.599 -15.318 -22.407 1.00 0.00 O ATOM 133 CB VAL A 12 -15.201 -12.773 -23.182 1.00 0.00 C ATOM 134 CG1 VAL A 12 -15.397 -11.279 -23.394 1.00 0.00 C ATOM 135 CG2 VAL A 12 -14.708 -13.440 -24.458 1.00 0.00 C ATOM 0 H VAL A 12 -12.601 -12.714 -23.323 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.543 -12.470 -21.149 1.00 0.00 H new ATOM 0 HB VAL A 12 -16.165 -13.209 -22.920 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.095 -11.117 -24.215 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.797 -10.832 -22.484 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.440 -10.817 -23.635 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.415 -13.248 -25.265 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.732 -13.035 -24.727 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.623 -14.515 -24.297 1.00 0.00 H new ATOM 145 N ILE A 13 -14.900 -14.885 -20.622 1.00 0.00 N ATOM 146 CA ILE A 13 -14.976 -16.279 -20.202 1.00 0.00 C ATOM 147 C ILE A 13 -15.748 -17.117 -21.216 1.00 0.00 C ATOM 148 O ILE A 13 -16.913 -16.845 -21.503 1.00 0.00 O ATOM 149 CB ILE A 13 -15.648 -16.416 -18.823 1.00 0.00 C ATOM 150 CG1 ILE A 13 -14.879 -15.608 -17.775 1.00 0.00 C ATOM 151 CG2 ILE A 13 -15.730 -17.879 -18.417 1.00 0.00 C ATOM 152 CD1 ILE A 13 -13.521 -16.186 -17.444 1.00 0.00 C ATOM 0 H ILE A 13 -15.413 -14.236 -20.025 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.951 -16.645 -20.136 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.662 -16.020 -18.888 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.752 -14.587 -18.136 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -15.473 -15.552 -16.863 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.207 -17.959 -17.440 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.316 -18.429 -19.154 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -14.726 -18.299 -18.366 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.033 -15.562 -16.695 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -13.641 -17.196 -17.053 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -12.909 -16.216 -18.345 1.00 0.00 H new ATOM 164 N ALA A 14 -15.089 -18.138 -21.755 1.00 0.00 N ATOM 165 CA ALA A 14 -15.714 -19.018 -22.734 1.00 0.00 C ATOM 166 C ALA A 14 -16.436 -20.174 -22.051 1.00 0.00 C ATOM 167 O ALA A 14 -17.521 -20.577 -22.471 1.00 0.00 O ATOM 168 CB ALA A 14 -14.672 -19.547 -23.709 1.00 0.00 C ATOM 0 H ALA A 14 -14.123 -18.376 -21.530 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.453 -18.438 -23.287 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.153 -20.203 -24.435 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.203 -18.712 -24.229 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.913 -20.106 -23.162 1.00 0.00 H new ATOM 174 N ALA A 15 -15.827 -20.705 -20.996 1.00 0.00 N ATOM 175 CA ALA A 15 -16.413 -21.815 -20.254 1.00 0.00 C ATOM 176 C ALA A 15 -16.218 -21.635 -18.752 1.00 0.00 C ATOM 177 O ALA A 15 -15.403 -20.822 -18.316 1.00 0.00 O ATOM 178 CB ALA A 15 -15.810 -23.134 -20.712 1.00 0.00 C ATOM 0 H ALA A 15 -14.928 -20.385 -20.636 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.484 -21.829 -20.456 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.257 -23.953 -20.149 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.006 -23.274 -21.775 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.734 -23.121 -20.541 1.00 0.00 H new ATOM 184 N MET A 16 -16.971 -22.398 -17.966 1.00 0.00 N ATOM 185 CA MET A 16 -16.879 -22.322 -16.513 1.00 0.00 C ATOM 186 C MET A 16 -17.001 -23.708 -15.887 1.00 0.00 C ATOM 187 O MET A 16 -17.726 -23.897 -14.911 1.00 0.00 O ATOM 188 CB MET A 16 -17.968 -21.402 -15.959 1.00 0.00 C ATOM 189 CG MET A 16 -17.835 -19.958 -16.416 1.00 0.00 C ATOM 190 SD MET A 16 -18.988 -18.855 -15.576 1.00 0.00 S ATOM 191 CE MET A 16 -18.227 -18.738 -13.958 1.00 0.00 C ATOM 0 H MET A 16 -17.651 -23.075 -18.311 1.00 0.00 H new ATOM 0 HA MET A 16 -15.902 -21.912 -16.257 1.00 0.00 H new ATOM 0 HB2 MET A 16 -18.943 -21.782 -16.264 1.00 0.00 H new ATOM 0 HB3 MET A 16 -17.939 -21.434 -14.870 1.00 0.00 H new ATOM 0 HG2 MET A 16 -16.815 -19.617 -16.237 1.00 0.00 H new ATOM 0 HG3 MET A 16 -18.005 -19.904 -17.491 1.00 0.00 H new ATOM 0 HE1 MET A 16 -18.696 -17.932 -13.393 1.00 0.00 H new ATOM 0 HE2 MET A 16 -18.359 -19.679 -13.425 1.00 0.00 H new ATOM 0 HE3 MET A 16 -17.163 -18.531 -14.071 1.00 0.00 H new ATOM 201 N ARG A 17 -16.288 -24.674 -16.457 1.00 0.00 N ATOM 202 CA ARG A 17 -16.318 -26.043 -15.956 1.00 0.00 C ATOM 203 C ARG A 17 -16.392 -26.062 -14.432 1.00 0.00 C ATOM 204 O ARG A 17 -15.866 -25.172 -13.763 1.00 0.00 O ATOM 205 CB ARG A 17 -15.079 -26.808 -16.426 1.00 0.00 C ATOM 206 CG ARG A 17 -15.065 -27.083 -17.921 1.00 0.00 C ATOM 207 CD ARG A 17 -16.409 -27.603 -18.405 1.00 0.00 C ATOM 208 NE ARG A 17 -17.261 -26.530 -18.911 1.00 0.00 N ATOM 209 CZ ARG A 17 -18.493 -26.724 -19.368 1.00 0.00 C ATOM 210 NH1 ARG A 17 -19.015 -27.942 -19.382 1.00 0.00 N ATOM 211 NH2 ARG A 17 -19.206 -25.696 -19.812 1.00 0.00 N ATOM 0 H ARG A 17 -15.683 -24.534 -17.266 1.00 0.00 H new ATOM 0 HA ARG A 17 -17.209 -26.529 -16.353 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -14.188 -26.238 -16.161 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -15.022 -27.755 -15.890 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.813 -26.168 -18.458 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.288 -27.812 -18.151 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.250 -28.341 -19.191 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.916 -28.113 -17.586 1.00 0.00 H new ATOM 0 HE ARG A 17 -16.890 -25.580 -18.914 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -18.470 -28.734 -19.041 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -19.961 -28.087 -19.734 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -18.808 -24.757 -19.802 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -20.152 -25.845 -20.163 1.00 0.00 H new ATOM 225 N ASP A 18 -17.049 -27.082 -13.890 1.00 0.00 N ATOM 226 CA ASP A 18 -17.192 -27.218 -12.445 1.00 0.00 C ATOM 227 C ASP A 18 -15.829 -27.343 -11.773 1.00 0.00 C ATOM 228 O ASP A 18 -15.348 -28.448 -11.523 1.00 0.00 O ATOM 229 CB ASP A 18 -18.054 -28.436 -12.109 1.00 0.00 C ATOM 230 CG ASP A 18 -17.477 -29.724 -12.662 1.00 0.00 C ATOM 231 OD1 ASP A 18 -17.250 -29.794 -13.887 1.00 0.00 O ATOM 232 OD2 ASP A 18 -17.254 -30.663 -11.868 1.00 0.00 O ATOM 0 H ASP A 18 -17.491 -27.826 -14.429 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.682 -26.320 -12.067 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -18.152 -28.521 -11.027 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -19.057 -28.289 -12.510 1.00 0.00 H new ATOM 237 N GLY A 19 -15.209 -26.203 -11.484 1.00 0.00 N ATOM 238 CA GLY A 19 -13.906 -26.207 -10.845 1.00 0.00 C ATOM 239 C GLY A 19 -12.938 -25.239 -11.496 1.00 0.00 C ATOM 240 O GLY A 19 -12.035 -24.719 -10.840 1.00 0.00 O ATOM 0 H GLY A 19 -15.586 -25.276 -11.681 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.020 -25.949 -9.792 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.489 -27.213 -10.883 1.00 0.00 H new ATOM 244 N PHE A 20 -13.125 -24.997 -12.789 1.00 0.00 N ATOM 245 CA PHE A 20 -12.259 -24.086 -13.529 1.00 0.00 C ATOM 246 C PHE A 20 -12.966 -23.555 -14.773 1.00 0.00 C ATOM 247 O PHE A 20 -13.967 -24.114 -15.219 1.00 0.00 O ATOM 248 CB PHE A 20 -10.962 -24.793 -13.928 1.00 0.00 C ATOM 249 CG PHE A 20 -11.164 -25.896 -14.928 1.00 0.00 C ATOM 250 CD1 PHE A 20 -12.019 -26.951 -14.652 1.00 0.00 C ATOM 251 CD2 PHE A 20 -10.499 -25.878 -16.143 1.00 0.00 C ATOM 252 CE1 PHE A 20 -12.207 -27.968 -15.570 1.00 0.00 C ATOM 253 CE2 PHE A 20 -10.683 -26.891 -17.065 1.00 0.00 C ATOM 254 CZ PHE A 20 -11.537 -27.938 -16.777 1.00 0.00 C ATOM 0 H PHE A 20 -13.868 -25.419 -13.346 1.00 0.00 H new ATOM 0 HA PHE A 20 -12.020 -23.243 -12.880 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -10.270 -24.060 -14.343 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.492 -25.205 -13.035 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -12.545 -26.979 -13.709 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -9.829 -25.063 -16.373 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -12.877 -28.784 -15.343 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -10.160 -26.864 -18.009 1.00 0.00 H new ATOM 0 HZ PHE A 20 -11.680 -28.732 -17.495 1.00 0.00 H new ATOM 264 N GLY A 21 -12.436 -22.469 -15.328 1.00 0.00 N ATOM 265 CA GLY A 21 -13.028 -21.879 -16.514 1.00 0.00 C ATOM 266 C GLY A 21 -11.988 -21.460 -17.535 1.00 0.00 C ATOM 267 O GLY A 21 -10.789 -21.622 -17.311 1.00 0.00 O ATOM 0 H GLY A 21 -11.608 -21.988 -14.977 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.712 -22.595 -16.970 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.621 -21.011 -16.227 1.00 0.00 H new ATOM 271 N PHE A 22 -12.448 -20.921 -18.659 1.00 0.00 N ATOM 272 CA PHE A 22 -11.549 -20.480 -19.719 1.00 0.00 C ATOM 273 C PHE A 22 -11.701 -18.983 -19.973 1.00 0.00 C ATOM 274 O PHE A 22 -12.701 -18.376 -19.589 1.00 0.00 O ATOM 275 CB PHE A 22 -11.824 -21.258 -21.007 1.00 0.00 C ATOM 276 CG PHE A 22 -11.148 -22.599 -21.054 1.00 0.00 C ATOM 277 CD1 PHE A 22 -11.304 -23.505 -20.017 1.00 0.00 C ATOM 278 CD2 PHE A 22 -10.357 -22.953 -22.135 1.00 0.00 C ATOM 279 CE1 PHE A 22 -10.683 -24.738 -20.057 1.00 0.00 C ATOM 280 CE2 PHE A 22 -9.733 -24.186 -22.181 1.00 0.00 C ATOM 281 CZ PHE A 22 -9.897 -25.080 -21.141 1.00 0.00 C ATOM 0 H PHE A 22 -13.438 -20.779 -18.859 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.526 -20.674 -19.397 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -12.900 -21.398 -21.114 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.493 -20.663 -21.859 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -11.918 -23.244 -19.168 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -10.226 -22.258 -22.951 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.812 -25.434 -19.242 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.118 -24.450 -23.029 1.00 0.00 H new ATOM 0 HZ PHE A 22 -9.412 -26.044 -21.175 1.00 0.00 H new ATOM 291 N ILE A 23 -10.702 -18.395 -20.623 1.00 0.00 N ATOM 292 CA ILE A 23 -10.724 -16.970 -20.929 1.00 0.00 C ATOM 293 C ILE A 23 -10.171 -16.699 -22.324 1.00 0.00 C ATOM 294 O ILE A 23 -9.021 -17.023 -22.622 1.00 0.00 O ATOM 295 CB ILE A 23 -9.913 -16.161 -19.901 1.00 0.00 C ATOM 296 CG1 ILE A 23 -10.415 -16.445 -18.484 1.00 0.00 C ATOM 297 CG2 ILE A 23 -9.999 -14.674 -20.211 1.00 0.00 C ATOM 298 CD1 ILE A 23 -9.367 -16.224 -17.415 1.00 0.00 C ATOM 0 H ILE A 23 -9.868 -18.883 -20.948 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.766 -16.654 -20.886 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.868 -16.466 -19.964 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.274 -15.806 -18.277 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.764 -17.476 -18.431 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.421 -14.115 -19.475 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.598 -14.486 -21.207 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.040 -14.354 -20.173 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.793 -16.444 -16.436 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.517 -16.882 -17.597 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.034 -15.186 -17.440 1.00 0.00 H new ATOM 310 N LYS A 24 -10.997 -16.101 -23.176 1.00 0.00 N ATOM 311 CA LYS A 24 -10.591 -15.782 -24.540 1.00 0.00 C ATOM 312 C LYS A 24 -10.013 -14.373 -24.620 1.00 0.00 C ATOM 313 O LYS A 24 -10.666 -13.401 -24.237 1.00 0.00 O ATOM 314 CB LYS A 24 -11.782 -15.911 -25.492 1.00 0.00 C ATOM 315 CG LYS A 24 -11.452 -15.554 -26.931 1.00 0.00 C ATOM 316 CD LYS A 24 -11.990 -14.182 -27.302 1.00 0.00 C ATOM 317 CE LYS A 24 -13.065 -14.276 -28.373 1.00 0.00 C ATOM 318 NZ LYS A 24 -14.434 -14.186 -27.794 1.00 0.00 N ATOM 0 H LYS A 24 -11.952 -15.827 -22.946 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.818 -16.490 -24.837 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.155 -16.935 -25.457 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.588 -15.266 -25.142 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.371 -15.573 -27.073 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.874 -16.304 -27.599 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.400 -13.699 -26.415 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.174 -13.554 -27.659 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.925 -13.476 -29.100 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.960 -15.218 -28.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.138 -14.254 -28.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.577 -14.964 -27.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.544 -13.277 -27.302 1.00 0.00 H new ATOM 332 N CYS A 25 -8.787 -14.269 -25.120 1.00 0.00 N ATOM 333 CA CYS A 25 -8.122 -12.977 -25.251 1.00 0.00 C ATOM 334 C CYS A 25 -8.585 -12.252 -26.510 1.00 0.00 C ATOM 335 O CYS A 25 -8.866 -12.878 -27.532 1.00 0.00 O ATOM 336 CB CYS A 25 -6.604 -13.163 -25.285 1.00 0.00 C ATOM 337 SG CYS A 25 -5.887 -13.674 -23.705 1.00 0.00 S ATOM 0 H CYS A 25 -8.233 -15.063 -25.441 1.00 0.00 H new ATOM 0 HA CYS A 25 -8.388 -12.370 -24.386 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.357 -13.908 -26.042 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.141 -12.227 -25.596 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.600 -13.807 -23.835 1.00 0.00 H new ATOM 343 N VAL A 26 -8.666 -10.928 -26.428 1.00 0.00 N ATOM 344 CA VAL A 26 -9.097 -10.116 -27.560 1.00 0.00 C ATOM 345 C VAL A 26 -7.941 -9.855 -28.520 1.00 0.00 C ATOM 346 O VAL A 26 -8.152 -9.582 -29.702 1.00 0.00 O ATOM 347 CB VAL A 26 -9.679 -8.768 -27.096 1.00 0.00 C ATOM 348 CG1 VAL A 26 -10.215 -7.981 -28.281 1.00 0.00 C ATOM 349 CG2 VAL A 26 -10.767 -8.989 -26.055 1.00 0.00 C ATOM 0 H VAL A 26 -8.439 -10.394 -25.589 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.874 -10.680 -28.076 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.880 -8.186 -26.636 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.622 -7.032 -27.933 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.407 -7.792 -28.988 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.001 -8.554 -28.773 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.168 -8.026 -25.738 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.567 -9.591 -26.487 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.347 -9.509 -25.194 1.00 0.00 H new ATOM 359 N ASP A 27 -6.720 -9.940 -28.004 1.00 0.00 N ATOM 360 CA ASP A 27 -5.530 -9.714 -28.815 1.00 0.00 C ATOM 361 C ASP A 27 -4.823 -11.031 -29.122 1.00 0.00 C ATOM 362 O ASP A 27 -4.213 -11.187 -30.180 1.00 0.00 O ATOM 363 CB ASP A 27 -4.571 -8.762 -28.098 1.00 0.00 C ATOM 364 CG ASP A 27 -3.192 -8.746 -28.728 1.00 0.00 C ATOM 365 OD1 ASP A 27 -2.566 -9.823 -28.813 1.00 0.00 O ATOM 366 OD2 ASP A 27 -2.739 -7.656 -29.136 1.00 0.00 O ATOM 0 H ASP A 27 -6.528 -10.164 -27.027 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.843 -9.262 -29.756 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.986 -7.754 -28.113 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.486 -9.056 -27.052 1.00 0.00 H new ATOM 371 N ARG A 28 -4.909 -11.974 -28.190 1.00 0.00 N ATOM 372 CA ARG A 28 -4.277 -13.276 -28.360 1.00 0.00 C ATOM 373 C ARG A 28 -5.313 -14.345 -28.695 1.00 0.00 C ATOM 374 O ARG A 28 -6.462 -14.268 -28.258 1.00 0.00 O ATOM 375 CB ARG A 28 -3.516 -13.667 -27.092 1.00 0.00 C ATOM 376 CG ARG A 28 -2.354 -12.743 -26.769 1.00 0.00 C ATOM 377 CD ARG A 28 -1.041 -13.290 -27.307 1.00 0.00 C ATOM 378 NE ARG A 28 -0.070 -12.229 -27.563 1.00 0.00 N ATOM 379 CZ ARG A 28 1.111 -12.436 -28.133 1.00 0.00 C ATOM 380 NH1 ARG A 28 1.467 -13.658 -28.505 1.00 0.00 N ATOM 381 NH2 ARG A 28 1.941 -11.420 -28.332 1.00 0.00 N ATOM 0 H ARG A 28 -5.410 -11.860 -27.309 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.574 -13.204 -29.190 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.209 -13.673 -26.250 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.140 -14.684 -27.203 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.541 -11.758 -27.196 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.280 -12.613 -25.689 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.623 -13.999 -26.592 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.228 -13.840 -28.229 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.313 -11.277 -27.289 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.833 -14.442 -28.353 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.375 -13.814 -28.943 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.672 -10.478 -28.047 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.848 -11.581 -28.770 1.00 0.00 H new ATOM 395 N ASP A 29 -4.900 -15.339 -29.472 1.00 0.00 N ATOM 396 CA ASP A 29 -5.793 -16.424 -29.865 1.00 0.00 C ATOM 397 C ASP A 29 -5.520 -17.678 -29.040 1.00 0.00 C ATOM 398 O ASP A 29 -5.518 -18.791 -29.565 1.00 0.00 O ATOM 399 CB ASP A 29 -5.630 -16.733 -31.354 1.00 0.00 C ATOM 400 CG ASP A 29 -6.957 -16.774 -32.086 1.00 0.00 C ATOM 401 OD1 ASP A 29 -7.693 -15.766 -32.035 1.00 0.00 O ATOM 402 OD2 ASP A 29 -7.261 -17.814 -32.707 1.00 0.00 O ATOM 0 H ASP A 29 -3.953 -15.417 -29.843 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.818 -16.104 -29.678 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.990 -15.978 -31.811 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.125 -17.692 -31.470 1.00 0.00 H new ATOM 407 N VAL A 30 -5.289 -17.489 -27.745 1.00 0.00 N ATOM 408 CA VAL A 30 -5.015 -18.604 -26.846 1.00 0.00 C ATOM 409 C VAL A 30 -5.756 -18.440 -25.524 1.00 0.00 C ATOM 410 O VAL A 30 -5.623 -17.419 -24.849 1.00 0.00 O ATOM 411 CB VAL A 30 -3.507 -18.740 -26.564 1.00 0.00 C ATOM 412 CG1 VAL A 30 -2.750 -19.057 -27.845 1.00 0.00 C ATOM 413 CG2 VAL A 30 -2.971 -17.472 -25.918 1.00 0.00 C ATOM 0 H VAL A 30 -5.286 -16.574 -27.295 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.366 -19.507 -27.346 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.358 -19.566 -25.869 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.686 -19.149 -27.626 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.117 -19.995 -28.262 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.903 -18.254 -28.566 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.904 -17.585 -25.725 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.132 -16.627 -26.587 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.493 -17.294 -24.978 1.00 0.00 H new ATOM 423 N ARG A 31 -6.537 -19.452 -25.160 1.00 0.00 N ATOM 424 CA ARG A 31 -7.300 -19.420 -23.918 1.00 0.00 C ATOM 425 C ARG A 31 -6.372 -19.304 -22.712 1.00 0.00 C ATOM 426 O ARG A 31 -5.177 -19.584 -22.807 1.00 0.00 O ATOM 427 CB ARG A 31 -8.163 -20.676 -23.792 1.00 0.00 C ATOM 428 CG ARG A 31 -9.012 -20.958 -25.021 1.00 0.00 C ATOM 429 CD ARG A 31 -10.301 -20.151 -25.005 1.00 0.00 C ATOM 430 NE ARG A 31 -10.602 -19.573 -26.312 1.00 0.00 N ATOM 431 CZ ARG A 31 -10.795 -20.297 -27.409 1.00 0.00 C ATOM 432 NH1 ARG A 31 -10.719 -21.620 -27.356 1.00 0.00 N ATOM 433 NH2 ARG A 31 -11.065 -19.698 -28.561 1.00 0.00 N ATOM 0 H ARG A 31 -6.658 -20.304 -25.708 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.948 -18.544 -23.942 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.517 -21.533 -23.603 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.816 -20.572 -22.926 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.443 -20.720 -25.920 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.248 -22.021 -25.066 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.126 -20.792 -24.694 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.220 -19.354 -24.266 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.668 -18.558 -26.387 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.512 -22.084 -26.472 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.868 -22.174 -28.200 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.125 -18.681 -28.605 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.213 -20.255 -29.403 1.00 0.00 H new ATOM 447 N MET A 32 -6.930 -18.890 -21.580 1.00 0.00 N ATOM 448 CA MET A 32 -6.153 -18.738 -20.356 1.00 0.00 C ATOM 449 C MET A 32 -6.887 -19.349 -19.166 1.00 0.00 C ATOM 450 O MET A 32 -7.419 -18.632 -18.318 1.00 0.00 O ATOM 451 CB MET A 32 -5.865 -17.259 -20.088 1.00 0.00 C ATOM 452 CG MET A 32 -5.131 -17.009 -18.781 1.00 0.00 C ATOM 453 SD MET A 32 -4.193 -15.470 -18.795 1.00 0.00 S ATOM 454 CE MET A 32 -2.563 -16.071 -19.233 1.00 0.00 C ATOM 0 H MET A 32 -7.918 -18.654 -21.485 1.00 0.00 H new ATOM 0 HA MET A 32 -5.209 -19.266 -20.488 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.272 -16.858 -20.910 1.00 0.00 H new ATOM 0 HB3 MET A 32 -6.807 -16.710 -20.077 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.851 -16.983 -17.963 1.00 0.00 H new ATOM 0 HG3 MET A 32 -4.454 -17.841 -18.584 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.095 -15.377 -19.931 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.951 -16.150 -18.335 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.650 -17.052 -19.700 1.00 0.00 H new ATOM 464 N PHE A 33 -6.912 -20.676 -19.110 1.00 0.00 N ATOM 465 CA PHE A 33 -7.582 -21.383 -18.024 1.00 0.00 C ATOM 466 C PHE A 33 -7.255 -20.746 -16.677 1.00 0.00 C ATOM 467 O PHE A 33 -6.130 -20.304 -16.443 1.00 0.00 O ATOM 468 CB PHE A 33 -7.172 -22.857 -18.017 1.00 0.00 C ATOM 469 CG PHE A 33 -5.990 -23.146 -17.137 1.00 0.00 C ATOM 470 CD1 PHE A 33 -4.700 -23.054 -17.634 1.00 0.00 C ATOM 471 CD2 PHE A 33 -6.169 -23.510 -15.812 1.00 0.00 C ATOM 472 CE1 PHE A 33 -3.610 -23.318 -16.826 1.00 0.00 C ATOM 473 CE2 PHE A 33 -5.082 -23.776 -15.000 1.00 0.00 C ATOM 474 CZ PHE A 33 -3.802 -23.681 -15.508 1.00 0.00 C ATOM 0 H PHE A 33 -6.476 -21.284 -19.804 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.657 -21.313 -18.187 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.018 -23.460 -17.685 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.940 -23.166 -19.036 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.544 -22.773 -18.665 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.168 -23.587 -15.409 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.610 -23.240 -17.225 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.234 -24.058 -13.969 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.952 -23.890 -14.875 1.00 0.00 H new ATOM 484 N PHE A 34 -8.248 -20.701 -15.794 1.00 0.00 N ATOM 485 CA PHE A 34 -8.067 -20.116 -14.470 1.00 0.00 C ATOM 486 C PHE A 34 -8.660 -21.019 -13.392 1.00 0.00 C ATOM 487 O PHE A 34 -9.357 -21.989 -13.693 1.00 0.00 O ATOM 488 CB PHE A 34 -8.717 -18.733 -14.408 1.00 0.00 C ATOM 489 CG PHE A 34 -10.203 -18.757 -14.627 1.00 0.00 C ATOM 490 CD1 PHE A 34 -10.726 -18.919 -15.899 1.00 0.00 C ATOM 491 CD2 PHE A 34 -11.076 -18.619 -13.560 1.00 0.00 C ATOM 492 CE1 PHE A 34 -12.093 -18.942 -16.104 1.00 0.00 C ATOM 493 CE2 PHE A 34 -12.443 -18.643 -13.759 1.00 0.00 C ATOM 494 CZ PHE A 34 -12.952 -18.803 -15.033 1.00 0.00 C ATOM 0 H PHE A 34 -9.185 -21.062 -15.971 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.997 -20.015 -14.287 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.509 -18.286 -13.436 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.258 -18.091 -15.159 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.058 -19.029 -16.741 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.684 -18.491 -12.562 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -12.488 -19.069 -17.101 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.113 -18.537 -12.919 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.020 -18.819 -15.191 1.00 0.00 H new ATOM 504 N HIS A 35 -8.379 -20.692 -12.135 1.00 0.00 N ATOM 505 CA HIS A 35 -8.885 -21.472 -11.011 1.00 0.00 C ATOM 506 C HIS A 35 -9.869 -20.654 -10.181 1.00 0.00 C ATOM 507 O HIS A 35 -9.814 -19.424 -10.167 1.00 0.00 O ATOM 508 CB HIS A 35 -7.728 -21.946 -10.130 1.00 0.00 C ATOM 509 CG HIS A 35 -7.273 -23.339 -10.437 1.00 0.00 C ATOM 510 ND1 HIS A 35 -7.588 -24.424 -9.647 1.00 0.00 N ATOM 511 CD2 HIS A 35 -6.525 -23.822 -11.456 1.00 0.00 C ATOM 512 CE1 HIS A 35 -7.052 -25.515 -10.165 1.00 0.00 C ATOM 513 NE2 HIS A 35 -6.401 -25.177 -11.264 1.00 0.00 N ATOM 0 H HIS A 35 -7.804 -19.893 -11.869 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.408 -22.341 -11.410 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.887 -21.263 -10.251 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.033 -21.894 -9.085 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.104 -23.249 -12.269 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.132 -26.513 -9.759 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.890 -25.818 -11.871 1.00 0.00 H new ATOM 521 N PHE A 36 -10.771 -21.345 -9.491 1.00 0.00 N ATOM 522 CA PHE A 36 -11.770 -20.682 -8.660 1.00 0.00 C ATOM 523 C PHE A 36 -11.183 -20.301 -7.304 1.00 0.00 C ATOM 524 O PHE A 36 -11.833 -20.452 -6.270 1.00 0.00 O ATOM 525 CB PHE A 36 -12.986 -21.591 -8.465 1.00 0.00 C ATOM 526 CG PHE A 36 -14.100 -21.317 -9.435 1.00 0.00 C ATOM 527 CD1 PHE A 36 -13.977 -21.670 -10.769 1.00 0.00 C ATOM 528 CD2 PHE A 36 -15.270 -20.707 -9.012 1.00 0.00 C ATOM 529 CE1 PHE A 36 -15.000 -21.420 -11.664 1.00 0.00 C ATOM 530 CE2 PHE A 36 -16.297 -20.455 -9.902 1.00 0.00 C ATOM 531 CZ PHE A 36 -16.161 -20.811 -11.229 1.00 0.00 C ATOM 0 H PHE A 36 -10.831 -22.363 -9.491 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.084 -19.771 -9.169 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.673 -22.630 -8.567 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -13.361 -21.470 -7.449 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -13.071 -22.146 -11.114 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -15.381 -20.425 -7.975 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -14.892 -21.700 -12.701 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -17.205 -19.980 -9.560 1.00 0.00 H new ATOM 0 HZ PHE A 36 -16.962 -20.613 -11.926 1.00 0.00 H new ATOM 541 N SER A 37 -9.949 -19.808 -7.318 1.00 0.00 N ATOM 542 CA SER A 37 -9.271 -19.409 -6.090 1.00 0.00 C ATOM 543 C SER A 37 -8.828 -17.951 -6.163 1.00 0.00 C ATOM 544 O SER A 37 -8.743 -17.266 -5.144 1.00 0.00 O ATOM 545 CB SER A 37 -8.061 -20.310 -5.834 1.00 0.00 C ATOM 546 OG SER A 37 -7.890 -20.553 -4.449 1.00 0.00 O ATOM 0 H SER A 37 -9.398 -19.675 -8.166 1.00 0.00 H new ATOM 0 HA SER A 37 -9.975 -19.516 -5.265 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.191 -21.256 -6.359 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.163 -19.842 -6.238 1.00 0.00 H new ATOM 0 HG SER A 37 -7.112 -21.132 -4.312 1.00 0.00 H new ATOM 552 N GLU A 38 -8.546 -17.485 -7.375 1.00 0.00 N ATOM 553 CA GLU A 38 -8.110 -16.109 -7.581 1.00 0.00 C ATOM 554 C GLU A 38 -9.307 -15.165 -7.661 1.00 0.00 C ATOM 555 O GLU A 38 -9.151 -13.944 -7.630 1.00 0.00 O ATOM 556 CB GLU A 38 -7.275 -16.001 -8.859 1.00 0.00 C ATOM 557 CG GLU A 38 -6.092 -16.953 -8.896 1.00 0.00 C ATOM 558 CD GLU A 38 -5.452 -17.141 -7.534 1.00 0.00 C ATOM 559 OE1 GLU A 38 -6.019 -17.886 -6.708 1.00 0.00 O ATOM 560 OE2 GLU A 38 -4.382 -16.542 -7.295 1.00 0.00 O ATOM 0 H GLU A 38 -8.612 -18.039 -8.229 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.496 -15.818 -6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.915 -16.197 -9.719 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.911 -14.979 -8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.421 -17.920 -9.276 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.346 -16.573 -9.594 1.00 0.00 H new ATOM 567 N ILE A 39 -10.500 -15.741 -7.765 1.00 0.00 N ATOM 568 CA ILE A 39 -11.723 -14.952 -7.849 1.00 0.00 C ATOM 569 C ILE A 39 -12.038 -14.283 -6.515 1.00 0.00 C ATOM 570 O ILE A 39 -13.040 -13.578 -6.383 1.00 0.00 O ATOM 571 CB ILE A 39 -12.924 -15.819 -8.272 1.00 0.00 C ATOM 572 CG1 ILE A 39 -12.572 -16.647 -9.509 1.00 0.00 C ATOM 573 CG2 ILE A 39 -14.139 -14.944 -8.542 1.00 0.00 C ATOM 574 CD1 ILE A 39 -13.675 -17.588 -9.940 1.00 0.00 C ATOM 0 H ILE A 39 -10.646 -16.750 -7.793 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.554 -14.186 -8.606 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.166 -16.502 -7.458 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.338 -15.973 -10.333 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.671 -17.226 -9.305 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -14.980 -15.571 -8.840 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.399 -14.394 -7.638 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.910 -14.240 -9.342 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.356 -18.143 -10.823 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -13.894 -18.286 -9.132 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.571 -17.014 -10.176 1.00 0.00 H new ATOM 586 N LEU A 40 -11.176 -14.506 -5.529 1.00 0.00 N ATOM 587 CA LEU A 40 -11.361 -13.923 -4.205 1.00 0.00 C ATOM 588 C LEU A 40 -11.557 -12.413 -4.297 1.00 0.00 C ATOM 589 O LEU A 40 -12.147 -11.799 -3.408 1.00 0.00 O ATOM 590 CB LEU A 40 -10.158 -14.239 -3.315 1.00 0.00 C ATOM 591 CG LEU A 40 -8.781 -14.004 -3.938 1.00 0.00 C ATOM 592 CD1 LEU A 40 -8.506 -12.515 -4.077 1.00 0.00 C ATOM 593 CD2 LEU A 40 -7.697 -14.674 -3.106 1.00 0.00 C ATOM 0 H LEU A 40 -10.342 -15.086 -5.621 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.257 -14.361 -3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.233 -13.636 -2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.222 -15.283 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.773 -14.449 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.522 -12.367 -4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.265 -12.063 -4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.534 -12.047 -3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.724 -14.496 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.704 -14.260 -2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.885 -15.747 -3.059 1.00 0.00 H new ATOM 605 N ASP A 41 -11.061 -11.822 -5.378 1.00 0.00 N ATOM 606 CA ASP A 41 -11.185 -10.385 -5.589 1.00 0.00 C ATOM 607 C ASP A 41 -12.586 -9.901 -5.228 1.00 0.00 C ATOM 608 O ASP A 41 -12.753 -8.838 -4.633 1.00 0.00 O ATOM 609 CB ASP A 41 -10.868 -10.031 -7.043 1.00 0.00 C ATOM 610 CG ASP A 41 -11.002 -8.547 -7.320 1.00 0.00 C ATOM 611 OD1 ASP A 41 -12.140 -8.087 -7.549 1.00 0.00 O ATOM 612 OD2 ASP A 41 -9.969 -7.845 -7.309 1.00 0.00 O ATOM 0 H ASP A 41 -10.569 -12.316 -6.122 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.468 -9.885 -4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.853 -10.351 -7.279 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.538 -10.583 -7.703 1.00 0.00 H new ATOM 617 N GLY A 42 -13.591 -10.691 -5.595 1.00 0.00 N ATOM 618 CA GLY A 42 -14.965 -10.326 -5.303 1.00 0.00 C ATOM 619 C GLY A 42 -15.776 -10.069 -6.558 1.00 0.00 C ATOM 620 O GLY A 42 -15.881 -8.932 -7.015 1.00 0.00 O ATOM 0 H GLY A 42 -13.478 -11.576 -6.089 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.435 -11.123 -4.727 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.976 -9.433 -4.678 1.00 0.00 H new ATOM 624 N ASN A 43 -16.350 -11.130 -7.117 1.00 0.00 N ATOM 625 CA ASN A 43 -17.153 -11.014 -8.329 1.00 0.00 C ATOM 626 C ASN A 43 -17.521 -12.392 -8.871 1.00 0.00 C ATOM 627 O ASN A 43 -16.675 -13.282 -8.954 1.00 0.00 O ATOM 628 CB ASN A 43 -16.396 -10.219 -9.394 1.00 0.00 C ATOM 629 CG ASN A 43 -16.872 -8.783 -9.492 1.00 0.00 C ATOM 630 OD1 ASN A 43 -18.073 -8.518 -9.552 1.00 0.00 O ATOM 631 ND2 ASN A 43 -15.931 -7.847 -9.509 1.00 0.00 N ATOM 0 H ASN A 43 -16.274 -12.079 -6.750 1.00 0.00 H new ATOM 0 HA ASN A 43 -18.072 -10.485 -8.077 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -15.331 -10.231 -9.163 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -16.518 -10.706 -10.362 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -16.192 -6.863 -9.574 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.947 -8.112 -9.457 1.00 0.00 H new ATOM 638 N GLN A 44 -18.787 -12.558 -9.240 1.00 0.00 N ATOM 639 CA GLN A 44 -19.266 -13.827 -9.775 1.00 0.00 C ATOM 640 C GLN A 44 -19.142 -13.859 -11.295 1.00 0.00 C ATOM 641 O GLN A 44 -19.842 -13.133 -12.001 1.00 0.00 O ATOM 642 CB GLN A 44 -20.721 -14.060 -9.365 1.00 0.00 C ATOM 643 CG GLN A 44 -20.902 -15.215 -8.394 1.00 0.00 C ATOM 644 CD GLN A 44 -22.005 -16.166 -8.816 1.00 0.00 C ATOM 645 OE1 GLN A 44 -22.850 -15.826 -9.645 1.00 0.00 O ATOM 646 NE2 GLN A 44 -22.003 -17.366 -8.247 1.00 0.00 N ATOM 0 H GLN A 44 -19.499 -11.830 -9.178 1.00 0.00 H new ATOM 0 HA GLN A 44 -18.647 -14.624 -9.362 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -21.112 -13.150 -8.911 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.315 -14.251 -10.259 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -19.965 -15.766 -8.312 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.128 -14.820 -7.404 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -21.284 -17.606 -7.565 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -22.721 -18.048 -8.492 1.00 0.00 H new ATOM 655 N LEU A 45 -18.246 -14.704 -11.792 1.00 0.00 N ATOM 656 CA LEU A 45 -18.029 -14.831 -13.229 1.00 0.00 C ATOM 657 C LEU A 45 -19.328 -15.182 -13.947 1.00 0.00 C ATOM 658 O LEU A 45 -20.385 -15.285 -13.324 1.00 0.00 O ATOM 659 CB LEU A 45 -16.971 -15.899 -13.513 1.00 0.00 C ATOM 660 CG LEU A 45 -15.524 -15.507 -13.214 1.00 0.00 C ATOM 661 CD1 LEU A 45 -15.052 -14.431 -14.179 1.00 0.00 C ATOM 662 CD2 LEU A 45 -15.386 -15.033 -11.774 1.00 0.00 C ATOM 0 H LEU A 45 -17.658 -15.311 -11.221 1.00 0.00 H new ATOM 0 HA LEU A 45 -17.676 -13.870 -13.604 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -17.214 -16.787 -12.929 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -17.040 -16.180 -14.564 1.00 0.00 H new ATOM 0 HG LEU A 45 -14.895 -16.387 -13.347 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -14.020 -14.165 -13.951 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -15.112 -14.806 -15.201 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -15.685 -13.549 -14.079 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -14.349 -14.758 -11.579 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -16.027 -14.167 -11.613 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -15.682 -15.834 -11.097 1.00 0.00 H new ATOM 674 N HIS A 46 -19.241 -15.368 -15.260 1.00 0.00 N ATOM 675 CA HIS A 46 -20.409 -15.711 -16.063 1.00 0.00 C ATOM 676 C HIS A 46 -20.030 -15.879 -17.531 1.00 0.00 C ATOM 677 O HIS A 46 -19.097 -15.239 -18.018 1.00 0.00 O ATOM 678 CB HIS A 46 -21.485 -14.633 -15.923 1.00 0.00 C ATOM 679 CG HIS A 46 -22.753 -15.130 -15.300 1.00 0.00 C ATOM 680 ND1 HIS A 46 -24.002 -14.688 -15.681 1.00 0.00 N ATOM 681 CD2 HIS A 46 -22.961 -16.039 -14.318 1.00 0.00 C ATOM 682 CE1 HIS A 46 -24.923 -15.301 -14.959 1.00 0.00 C ATOM 683 NE2 HIS A 46 -24.317 -16.127 -14.125 1.00 0.00 N ATOM 0 H HIS A 46 -18.374 -15.287 -15.791 1.00 0.00 H new ATOM 0 HA HIS A 46 -20.804 -16.659 -15.697 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.091 -13.814 -15.321 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.710 -14.225 -16.909 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -22.201 -16.592 -13.786 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -25.990 -15.152 -15.037 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -24.781 -16.732 -13.448 1.00 0.00 H new ATOM 691 N ILE A 47 -20.757 -16.744 -18.230 1.00 0.00 N ATOM 692 CA ILE A 47 -20.496 -16.995 -19.642 1.00 0.00 C ATOM 693 C ILE A 47 -20.331 -15.689 -20.411 1.00 0.00 C ATOM 694 O ILE A 47 -21.267 -14.897 -20.519 1.00 0.00 O ATOM 695 CB ILE A 47 -21.628 -17.818 -20.286 1.00 0.00 C ATOM 696 CG1 ILE A 47 -21.799 -19.151 -19.554 1.00 0.00 C ATOM 697 CG2 ILE A 47 -21.340 -18.050 -21.761 1.00 0.00 C ATOM 698 CD1 ILE A 47 -20.689 -20.140 -19.833 1.00 0.00 C ATOM 0 H ILE A 47 -21.531 -17.283 -17.842 1.00 0.00 H new ATOM 0 HA ILE A 47 -19.568 -17.565 -19.695 1.00 0.00 H new ATOM 0 HB ILE A 47 -22.559 -17.257 -20.202 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -21.847 -18.964 -18.481 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -22.752 -19.595 -19.843 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -22.149 -18.633 -22.202 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -21.264 -17.090 -22.272 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -20.401 -18.593 -21.867 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -20.876 -21.061 -19.281 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -20.655 -20.357 -20.901 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -19.736 -19.715 -19.518 1.00 0.00 H new ATOM 710 N ALA A 48 -19.134 -15.472 -20.947 1.00 0.00 N ATOM 711 CA ALA A 48 -18.847 -14.264 -21.710 1.00 0.00 C ATOM 712 C ALA A 48 -18.694 -13.057 -20.791 1.00 0.00 C ATOM 713 O ALA A 48 -19.357 -12.036 -20.975 1.00 0.00 O ATOM 714 CB ALA A 48 -19.944 -14.013 -22.735 1.00 0.00 C ATOM 0 H ALA A 48 -18.348 -16.117 -20.867 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.902 -14.411 -22.233 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.716 -13.108 -23.297 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -20.004 -14.860 -23.419 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -20.899 -13.892 -22.224 1.00 0.00 H new ATOM 720 N ASP A 49 -17.817 -13.181 -19.801 1.00 0.00 N ATOM 721 CA ASP A 49 -17.577 -12.099 -18.853 1.00 0.00 C ATOM 722 C ASP A 49 -16.123 -11.640 -18.909 1.00 0.00 C ATOM 723 O ASP A 49 -15.205 -12.458 -18.956 1.00 0.00 O ATOM 724 CB ASP A 49 -17.927 -12.549 -17.433 1.00 0.00 C ATOM 725 CG ASP A 49 -19.405 -12.403 -17.128 1.00 0.00 C ATOM 726 OD1 ASP A 49 -20.216 -12.471 -18.075 1.00 0.00 O ATOM 727 OD2 ASP A 49 -19.750 -12.221 -15.942 1.00 0.00 O ATOM 0 H ASP A 49 -17.261 -14.019 -19.634 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.216 -11.260 -19.128 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.633 -13.590 -17.302 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.351 -11.963 -16.717 1.00 0.00 H new ATOM 732 N GLU A 50 -15.922 -10.326 -18.906 1.00 0.00 N ATOM 733 CA GLU A 50 -14.580 -9.758 -18.959 1.00 0.00 C ATOM 734 C GLU A 50 -13.928 -9.773 -17.579 1.00 0.00 C ATOM 735 O GLU A 50 -14.592 -9.563 -16.564 1.00 0.00 O ATOM 736 CB GLU A 50 -14.628 -8.327 -19.497 1.00 0.00 C ATOM 737 CG GLU A 50 -15.147 -8.229 -20.922 1.00 0.00 C ATOM 738 CD GLU A 50 -16.349 -7.313 -21.044 1.00 0.00 C ATOM 739 OE1 GLU A 50 -16.215 -6.113 -20.723 1.00 0.00 O ATOM 740 OE2 GLU A 50 -17.423 -7.795 -21.459 1.00 0.00 O ATOM 0 H GLU A 50 -16.671 -9.635 -18.867 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.980 -10.371 -19.632 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.262 -7.724 -18.846 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.627 -7.898 -19.454 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.350 -7.865 -21.571 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.416 -9.224 -21.276 1.00 0.00 H new ATOM 747 N VAL A 51 -12.623 -10.024 -17.551 1.00 0.00 N ATOM 748 CA VAL A 51 -11.880 -10.067 -16.297 1.00 0.00 C ATOM 749 C VAL A 51 -10.439 -9.610 -16.496 1.00 0.00 C ATOM 750 O VAL A 51 -9.819 -9.907 -17.516 1.00 0.00 O ATOM 751 CB VAL A 51 -11.878 -11.484 -15.693 1.00 0.00 C ATOM 752 CG1 VAL A 51 -13.269 -11.857 -15.202 1.00 0.00 C ATOM 753 CG2 VAL A 51 -11.374 -12.496 -16.711 1.00 0.00 C ATOM 0 H VAL A 51 -12.059 -10.201 -18.382 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.383 -9.387 -15.609 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.202 -11.495 -14.838 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.248 -12.861 -14.779 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.588 -11.148 -14.438 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.969 -11.830 -16.037 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.379 -13.492 -16.267 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.023 -12.485 -17.587 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.358 -12.237 -17.009 1.00 0.00 H new ATOM 763 N GLU A 52 -9.913 -8.884 -15.514 1.00 0.00 N ATOM 764 CA GLU A 52 -8.545 -8.386 -15.582 1.00 0.00 C ATOM 765 C GLU A 52 -7.624 -9.197 -14.675 1.00 0.00 C ATOM 766 O GLU A 52 -7.948 -9.457 -13.516 1.00 0.00 O ATOM 767 CB GLU A 52 -8.496 -6.908 -15.187 1.00 0.00 C ATOM 768 CG GLU A 52 -7.091 -6.395 -14.922 1.00 0.00 C ATOM 769 CD GLU A 52 -6.914 -5.887 -13.504 1.00 0.00 C ATOM 770 OE1 GLU A 52 -7.627 -4.938 -13.119 1.00 0.00 O ATOM 771 OE2 GLU A 52 -6.061 -6.441 -12.779 1.00 0.00 O ATOM 0 H GLU A 52 -10.414 -8.628 -14.663 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.198 -8.492 -16.610 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.947 -6.313 -15.981 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.103 -6.759 -14.294 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.375 -7.195 -15.110 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.863 -5.592 -15.623 1.00 0.00 H new ATOM 778 N PHE A 53 -6.475 -9.594 -15.210 1.00 0.00 N ATOM 779 CA PHE A 53 -5.507 -10.377 -14.450 1.00 0.00 C ATOM 780 C PHE A 53 -4.083 -9.910 -14.739 1.00 0.00 C ATOM 781 O PHE A 53 -3.787 -9.417 -15.828 1.00 0.00 O ATOM 782 CB PHE A 53 -5.646 -11.863 -14.785 1.00 0.00 C ATOM 783 CG PHE A 53 -6.106 -12.120 -16.192 1.00 0.00 C ATOM 784 CD1 PHE A 53 -5.282 -11.832 -17.268 1.00 0.00 C ATOM 785 CD2 PHE A 53 -7.362 -12.650 -16.438 1.00 0.00 C ATOM 786 CE1 PHE A 53 -5.701 -12.068 -18.563 1.00 0.00 C ATOM 787 CE2 PHE A 53 -7.787 -12.888 -17.732 1.00 0.00 C ATOM 788 CZ PHE A 53 -6.956 -12.596 -18.795 1.00 0.00 C ATOM 0 H PHE A 53 -6.191 -9.387 -16.167 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.711 -10.230 -13.389 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.685 -12.354 -14.630 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.352 -12.319 -14.091 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.300 -11.418 -17.092 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.016 -12.880 -15.610 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.048 -11.840 -19.393 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.768 -13.302 -17.911 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.287 -12.780 -19.806 1.00 0.00 H new ATOM 798 N THR A 54 -3.204 -10.068 -13.754 1.00 0.00 N ATOM 799 CA THR A 54 -1.812 -9.661 -13.900 1.00 0.00 C ATOM 800 C THR A 54 -1.061 -10.600 -14.838 1.00 0.00 C ATOM 801 O THR A 54 -0.390 -10.156 -15.770 1.00 0.00 O ATOM 802 CB THR A 54 -1.091 -9.629 -12.539 1.00 0.00 C ATOM 803 OG1 THR A 54 -1.840 -8.840 -11.607 1.00 0.00 O ATOM 804 CG2 THR A 54 0.311 -9.057 -12.684 1.00 0.00 C ATOM 0 H THR A 54 -3.432 -10.475 -12.847 1.00 0.00 H new ATOM 0 HA THR A 54 -1.818 -8.657 -14.323 1.00 0.00 H new ATOM 0 HB THR A 54 -1.013 -10.651 -12.169 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.255 -8.558 -10.873 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.801 -9.044 -11.711 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.887 -9.676 -13.372 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.251 -8.041 -13.073 1.00 0.00 H new ATOM 968 N ASN A 65 1.442 -19.345 -18.076 1.00 0.00 N ATOM 969 CA ASN A 65 1.124 -18.269 -17.144 1.00 0.00 C ATOM 970 C ASN A 65 -0.340 -18.334 -16.719 1.00 0.00 C ATOM 971 O ASN A 65 -1.232 -18.512 -17.549 1.00 0.00 O ATOM 972 CB ASN A 65 1.423 -16.910 -17.779 1.00 0.00 C ATOM 973 CG ASN A 65 2.578 -16.972 -18.760 1.00 0.00 C ATOM 974 OD1 ASN A 65 3.623 -17.555 -18.469 1.00 0.00 O ATOM 975 ND2 ASN A 65 2.395 -16.369 -19.929 1.00 0.00 N ATOM 0 HA ASN A 65 1.747 -18.393 -16.258 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.532 -16.548 -18.293 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.654 -16.189 -16.995 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.137 -16.377 -20.629 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.512 -15.898 -20.127 1.00 0.00 H new ATOM 982 N HIS A 66 -0.580 -18.187 -15.419 1.00 0.00 N ATOM 983 CA HIS A 66 -1.936 -18.227 -14.884 1.00 0.00 C ATOM 984 C HIS A 66 -2.451 -16.818 -14.602 1.00 0.00 C ATOM 985 O HIS A 66 -1.732 -15.837 -14.783 1.00 0.00 O ATOM 986 CB HIS A 66 -1.977 -19.062 -13.604 1.00 0.00 C ATOM 987 CG HIS A 66 -1.097 -18.532 -12.514 1.00 0.00 C ATOM 988 ND1 HIS A 66 -0.463 -19.344 -11.597 1.00 0.00 N ATOM 989 CD2 HIS A 66 -0.745 -17.264 -12.199 1.00 0.00 C ATOM 990 CE1 HIS A 66 0.239 -18.597 -10.763 1.00 0.00 C ATOM 991 NE2 HIS A 66 0.086 -17.331 -11.107 1.00 0.00 N ATOM 0 H HIS A 66 0.146 -18.039 -14.718 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.581 -18.688 -15.631 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.004 -19.106 -13.241 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.677 -20.084 -13.837 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -1.059 -16.366 -12.711 1.00 0.00 H new ATOM 0 HE1 HIS A 66 0.836 -18.960 -9.940 1.00 0.00 H new ATOM 0 HE2 HIS A 66 0.515 -16.533 -10.638 1.00 0.00 H new ATOM 999 N ALA A 67 -3.701 -16.728 -14.159 1.00 0.00 N ATOM 1000 CA ALA A 67 -4.311 -15.440 -13.852 1.00 0.00 C ATOM 1001 C ALA A 67 -4.505 -15.269 -12.349 1.00 0.00 C ATOM 1002 O ALA A 67 -5.203 -16.057 -11.711 1.00 0.00 O ATOM 1003 CB ALA A 67 -5.641 -15.300 -14.577 1.00 0.00 C ATOM 0 H ALA A 67 -4.311 -17.531 -14.005 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.638 -14.655 -14.197 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.085 -14.334 -14.339 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.478 -15.369 -15.653 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.314 -16.097 -14.260 1.00 0.00 H new ATOM 1009 N ILE A 68 -3.883 -14.237 -11.790 1.00 0.00 N ATOM 1010 CA ILE A 68 -3.988 -13.963 -10.363 1.00 0.00 C ATOM 1011 C ILE A 68 -4.982 -12.840 -10.090 1.00 0.00 C ATOM 1012 O ILE A 68 -5.324 -12.069 -10.986 1.00 0.00 O ATOM 1013 CB ILE A 68 -2.622 -13.583 -9.760 1.00 0.00 C ATOM 1014 CG1 ILE A 68 -2.041 -12.368 -10.486 1.00 0.00 C ATOM 1015 CG2 ILE A 68 -1.663 -14.761 -9.836 1.00 0.00 C ATOM 1016 CD1 ILE A 68 -1.136 -11.522 -9.618 1.00 0.00 C ATOM 0 H ILE A 68 -3.300 -13.576 -12.304 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.341 -14.880 -9.891 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.764 -13.323 -8.711 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.481 -12.709 -11.357 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.859 -11.750 -10.855 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.703 -14.477 -9.406 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.075 -15.602 -9.279 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.523 -15.050 -10.878 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.760 -10.679 -10.198 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.697 -11.151 -8.760 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.298 -12.125 -9.270 1.00 0.00 H new ATOM 1028 N ARG A 69 -5.441 -12.752 -8.846 1.00 0.00 N ATOM 1029 CA ARG A 69 -6.395 -11.722 -8.454 1.00 0.00 C ATOM 1030 C ARG A 69 -7.368 -11.422 -9.591 1.00 0.00 C ATOM 1031 O ARG A 69 -7.313 -10.355 -10.202 1.00 0.00 O ATOM 1032 CB ARG A 69 -5.660 -10.444 -8.047 1.00 0.00 C ATOM 1033 CG ARG A 69 -4.698 -10.638 -6.887 1.00 0.00 C ATOM 1034 CD ARG A 69 -5.325 -10.220 -5.566 1.00 0.00 C ATOM 1035 NE ARG A 69 -4.498 -9.252 -4.850 1.00 0.00 N ATOM 1036 CZ ARG A 69 -3.332 -9.554 -4.289 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -2.858 -10.790 -4.361 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -2.638 -8.618 -3.655 1.00 0.00 N ATOM 0 H ARG A 69 -5.167 -13.382 -8.092 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.963 -12.093 -7.601 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.108 -10.063 -8.906 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.393 -9.684 -7.777 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.398 -11.684 -6.833 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.793 -10.055 -7.062 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.309 -9.789 -5.752 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.476 -11.101 -4.941 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.834 -8.292 -4.777 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.389 -11.512 -4.848 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.963 -11.019 -3.929 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.999 -7.666 -3.598 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.743 -8.850 -3.225 1.00 0.00 H new ATOM 1052 N ILE A 70 -8.257 -12.370 -9.868 1.00 0.00 N ATOM 1053 CA ILE A 70 -9.241 -12.207 -10.930 1.00 0.00 C ATOM 1054 C ILE A 70 -10.302 -11.182 -10.544 1.00 0.00 C ATOM 1055 O ILE A 70 -11.132 -11.431 -9.669 1.00 0.00 O ATOM 1056 CB ILE A 70 -9.932 -13.541 -11.268 1.00 0.00 C ATOM 1057 CG1 ILE A 70 -8.943 -14.497 -11.939 1.00 0.00 C ATOM 1058 CG2 ILE A 70 -11.137 -13.302 -12.166 1.00 0.00 C ATOM 1059 CD1 ILE A 70 -9.564 -15.809 -12.364 1.00 0.00 C ATOM 0 H ILE A 70 -8.316 -13.259 -9.371 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.701 -11.854 -11.808 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.279 -13.998 -10.341 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.513 -14.008 -12.813 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.122 -14.699 -11.251 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.614 -14.255 -12.396 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.849 -12.654 -11.655 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.812 -12.826 -13.091 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.805 -16.436 -12.832 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.969 -16.320 -11.490 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.366 -15.618 -13.077 1.00 0.00 H new ATOM 1071 N LYS A 71 -10.270 -10.029 -11.203 1.00 0.00 N ATOM 1072 CA LYS A 71 -11.231 -8.965 -10.931 1.00 0.00 C ATOM 1073 C LYS A 71 -12.086 -8.678 -12.161 1.00 0.00 C ATOM 1074 O LYS A 71 -11.571 -8.298 -13.213 1.00 0.00 O ATOM 1075 CB LYS A 71 -10.503 -7.692 -10.494 1.00 0.00 C ATOM 1076 CG LYS A 71 -11.435 -6.531 -10.196 1.00 0.00 C ATOM 1077 CD LYS A 71 -10.675 -5.220 -10.083 1.00 0.00 C ATOM 1078 CE LYS A 71 -11.307 -4.133 -10.939 1.00 0.00 C ATOM 1079 NZ LYS A 71 -10.968 -4.295 -12.380 1.00 0.00 N ATOM 0 H LYS A 71 -9.589 -9.807 -11.929 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.885 -9.297 -10.125 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.911 -7.909 -9.605 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.805 -7.395 -11.277 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.183 -6.452 -10.985 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.971 -6.723 -9.267 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.655 -4.899 -9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.640 -5.371 -10.390 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.390 -4.157 -10.816 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.969 -3.156 -10.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.832 -3.359 -12.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.092 -4.848 -12.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.743 -4.791 -12.865 1.00 0.00 H new ATOM 1093 N LYS A 72 -13.394 -8.860 -12.022 1.00 0.00 N ATOM 1094 CA LYS A 72 -14.322 -8.617 -13.120 1.00 0.00 C ATOM 1095 C LYS A 72 -14.421 -7.127 -13.431 1.00 0.00 C ATOM 1096 O LYS A 72 -14.716 -6.317 -12.551 1.00 0.00 O ATOM 1097 CB LYS A 72 -15.707 -9.170 -12.776 1.00 0.00 C ATOM 1098 CG LYS A 72 -16.310 -10.027 -13.876 1.00 0.00 C ATOM 1099 CD LYS A 72 -17.738 -10.432 -13.547 1.00 0.00 C ATOM 1100 CE LYS A 72 -18.711 -9.958 -14.616 1.00 0.00 C ATOM 1101 NZ LYS A 72 -18.813 -8.473 -14.655 1.00 0.00 N ATOM 0 H LYS A 72 -13.836 -9.175 -11.159 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.941 -9.129 -14.004 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.636 -9.762 -11.863 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.379 -8.338 -12.565 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.294 -9.477 -14.817 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.701 -10.920 -14.018 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.798 -11.516 -13.454 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -18.023 -10.013 -12.582 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.387 -10.325 -15.590 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.696 -10.385 -14.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.592 -8.195 -15.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.997 -8.112 -13.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.921 -8.073 -15.010 1.00 0.00 H new ATOM 1115 N LEU A 73 -14.173 -6.772 -14.687 1.00 0.00 N ATOM 1116 CA LEU A 73 -14.235 -5.378 -15.114 1.00 0.00 C ATOM 1117 C LEU A 73 -15.659 -4.989 -15.497 1.00 0.00 C ATOM 1118 O LEU A 73 -16.465 -5.821 -15.914 1.00 0.00 O ATOM 1119 CB LEU A 73 -13.294 -5.145 -16.297 1.00 0.00 C ATOM 1120 CG LEU A 73 -11.811 -5.411 -16.038 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -11.170 -6.078 -17.245 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -11.089 -4.115 -15.697 1.00 0.00 C ATOM 0 H LEU A 73 -13.927 -7.429 -15.427 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.920 -4.753 -14.279 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.617 -5.779 -17.123 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.405 -4.112 -16.626 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.726 -6.087 -15.187 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.115 -6.260 -17.042 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.670 -7.026 -17.445 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.266 -5.427 -18.114 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.034 -4.323 -15.516 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.183 -3.416 -16.528 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.531 -3.677 -14.803 1.00 0.00 H new ATOM 1134 N PRO A 74 -15.977 -3.694 -15.356 1.00 0.00 N ATOM 1135 CA PRO A 74 -17.304 -3.165 -15.685 1.00 0.00 C ATOM 1136 C PRO A 74 -17.574 -3.168 -17.185 1.00 0.00 C ATOM 1137 O PRO A 74 -16.660 -2.998 -17.992 1.00 0.00 O ATOM 1138 CB PRO A 74 -17.255 -1.730 -15.153 1.00 0.00 C ATOM 1139 CG PRO A 74 -15.809 -1.373 -15.160 1.00 0.00 C ATOM 1140 CD PRO A 74 -15.066 -2.647 -14.865 1.00 0.00 C ATOM 0 HA PRO A 74 -18.102 -3.768 -15.252 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -17.833 -1.054 -15.783 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -17.674 -1.665 -14.149 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.513 -0.963 -16.126 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.591 -0.612 -14.411 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.104 -2.679 -15.377 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -14.864 -2.757 -13.800 1.00 0.00 H new ATOM 1148 N LYS A 75 -18.836 -3.362 -17.554 1.00 0.00 N ATOM 1149 CA LYS A 75 -19.228 -3.386 -18.959 1.00 0.00 C ATOM 1150 C LYS A 75 -18.787 -2.110 -19.668 1.00 0.00 C ATOM 1151 O LYS A 75 -19.124 -1.005 -19.245 1.00 0.00 O ATOM 1152 CB LYS A 75 -20.744 -3.554 -19.083 1.00 0.00 C ATOM 1153 CG LYS A 75 -21.178 -4.216 -20.380 1.00 0.00 C ATOM 1154 CD LYS A 75 -22.675 -4.082 -20.600 1.00 0.00 C ATOM 1155 CE LYS A 75 -23.061 -4.430 -22.030 1.00 0.00 C ATOM 1156 NZ LYS A 75 -23.868 -3.352 -22.665 1.00 0.00 N ATOM 0 H LYS A 75 -19.605 -3.505 -16.899 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.735 -4.234 -19.435 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -21.105 -4.147 -18.243 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -21.217 -2.575 -19.008 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.644 -3.764 -21.216 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.905 -5.271 -20.360 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -23.206 -4.737 -19.909 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -22.987 -3.062 -20.376 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -22.159 -4.603 -22.618 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -23.629 -5.360 -22.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -24.111 -3.627 -23.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -24.741 -3.204 -22.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -23.317 -2.470 -22.682 1.00 0.00 H new ATOM 1170 N GLY A 76 -18.033 -2.270 -20.752 1.00 0.00 N ATOM 1171 CA GLY A 76 -17.561 -1.122 -21.503 1.00 0.00 C ATOM 1172 C GLY A 76 -16.048 -1.059 -21.575 1.00 0.00 C ATOM 1173 O GLY A 76 -15.473 -0.944 -22.658 1.00 0.00 O ATOM 0 H GLY A 76 -17.741 -3.174 -21.123 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -17.969 -1.160 -22.513 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -17.938 -0.209 -21.041 1.00 0.00 H new ATOM 1177 N THR A 77 -15.399 -1.132 -20.417 1.00 0.00 N ATOM 1178 CA THR A 77 -13.944 -1.080 -20.352 1.00 0.00 C ATOM 1179 C THR A 77 -13.313 -1.899 -21.472 1.00 0.00 C ATOM 1180 O THR A 77 -12.415 -1.428 -22.169 1.00 0.00 O ATOM 1181 CB THR A 77 -13.423 -1.597 -18.997 1.00 0.00 C ATOM 1182 OG1 THR A 77 -13.713 -0.647 -17.966 1.00 0.00 O ATOM 1183 CG2 THR A 77 -11.924 -1.849 -19.055 1.00 0.00 C ATOM 0 H THR A 77 -15.858 -1.227 -19.511 1.00 0.00 H new ATOM 0 HA THR A 77 -13.660 -0.034 -20.467 1.00 0.00 H new ATOM 0 HB THR A 77 -13.925 -2.538 -18.774 1.00 0.00 H new ATOM 0 HG1 THR A 77 -13.380 -0.984 -17.108 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.579 -2.213 -18.087 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.710 -2.594 -19.821 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.408 -0.920 -19.298 1.00 0.00 H new ATOM 1191 N VAL A 78 -13.790 -3.129 -21.640 1.00 0.00 N ATOM 1192 CA VAL A 78 -13.274 -4.013 -22.678 1.00 0.00 C ATOM 1193 C VAL A 78 -14.342 -4.316 -23.723 1.00 0.00 C ATOM 1194 O VAL A 78 -15.536 -4.158 -23.470 1.00 0.00 O ATOM 1195 CB VAL A 78 -12.765 -5.339 -22.082 1.00 0.00 C ATOM 1196 CG1 VAL A 78 -12.047 -6.160 -23.143 1.00 0.00 C ATOM 1197 CG2 VAL A 78 -11.853 -5.074 -20.894 1.00 0.00 C ATOM 0 H VAL A 78 -14.533 -3.535 -21.071 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.442 -3.492 -23.153 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.623 -5.913 -21.731 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.694 -7.093 -22.704 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.735 -6.380 -23.960 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.197 -5.595 -23.527 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.503 -6.022 -20.486 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.998 -4.480 -21.217 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.404 -4.530 -20.127 1.00 0.00 H new