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 -121:sc= -0.0892 (180deg=0) USER MOD Set 1.2: A 65 ASN :FLIP amide:sc= 0.78 F(o=-1,f=0.69) USER MOD Single : A 10 MET CE :methyl -142:sc= -0.273 (180deg=-0.461) USER MOD Single : A 16 MET CE :methyl -151:sc= -2.43! (180deg=-5.2!) 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 35 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -2.94! C(o=-2.9!,f=-2.8!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 46 HIS : no HD1:sc= -0.318 X(o=-0.32,f=-0.23) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.466 F(o=-1.9,f=-0.47) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -20:sc= 0.626 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -1.296 -5.836 -17.508 1.00 0.00 N ATOM 67 CA ARG A 8 -2.504 -6.640 -17.363 1.00 0.00 C ATOM 68 C ARG A 8 -3.340 -6.601 -18.639 1.00 0.00 C ATOM 69 O ARG A 8 -3.341 -5.603 -19.360 1.00 0.00 O ATOM 70 CB ARG A 8 -3.336 -6.141 -16.181 1.00 0.00 C ATOM 71 CG ARG A 8 -2.527 -5.938 -14.910 1.00 0.00 C ATOM 72 CD ARG A 8 -3.380 -5.355 -13.794 1.00 0.00 C ATOM 73 NE ARG A 8 -3.698 -3.949 -14.025 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.543 -3.253 -13.273 1.00 0.00 C ATOM 75 NH1 ARG A 8 -5.152 -3.830 -12.246 1.00 0.00 N ATOM 76 NH2 ARG A 8 -4.780 -1.976 -13.546 1.00 0.00 N ATOM 0 HA ARG A 8 -2.203 -7.671 -17.177 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.811 -5.199 -16.454 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.135 -6.855 -15.983 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.107 -6.891 -14.589 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.688 -5.273 -15.114 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.304 -5.926 -13.708 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.854 -5.456 -12.845 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.246 -3.475 -14.807 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.972 -4.811 -12.032 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.800 -3.293 -11.670 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.313 -1.528 -14.334 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.429 -1.443 -12.968 1.00 0.00 H new ATOM 90 N GLU A 9 -4.048 -7.692 -18.911 1.00 0.00 N ATOM 91 CA GLU A 9 -4.886 -7.782 -20.101 1.00 0.00 C ATOM 92 C GLU A 9 -6.311 -8.184 -19.734 1.00 0.00 C ATOM 93 O GLU A 9 -6.586 -8.564 -18.596 1.00 0.00 O ATOM 94 CB GLU A 9 -4.299 -8.791 -21.091 1.00 0.00 C ATOM 95 CG GLU A 9 -2.929 -8.399 -21.618 1.00 0.00 C ATOM 96 CD GLU A 9 -2.831 -8.509 -23.127 1.00 0.00 C ATOM 97 OE1 GLU A 9 -3.885 -8.451 -23.795 1.00 0.00 O ATOM 98 OE2 GLU A 9 -1.702 -8.654 -23.641 1.00 0.00 O ATOM 0 H GLU A 9 -4.058 -8.526 -18.324 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.913 -6.798 -20.569 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.228 -9.764 -20.606 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.984 -8.903 -21.931 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.707 -7.375 -21.317 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.172 -9.036 -21.161 1.00 0.00 H new ATOM 105 N MET A 10 -7.214 -8.096 -20.705 1.00 0.00 N ATOM 106 CA MET A 10 -8.611 -8.451 -20.484 1.00 0.00 C ATOM 107 C MET A 10 -9.029 -9.602 -21.393 1.00 0.00 C ATOM 108 O MET A 10 -8.430 -9.825 -22.444 1.00 0.00 O ATOM 109 CB MET A 10 -9.512 -7.239 -20.729 1.00 0.00 C ATOM 110 CG MET A 10 -9.097 -6.005 -19.945 1.00 0.00 C ATOM 111 SD MET A 10 -8.763 -4.586 -21.007 1.00 0.00 S ATOM 112 CE MET A 10 -8.864 -3.246 -19.823 1.00 0.00 C ATOM 0 H MET A 10 -7.003 -7.782 -21.652 1.00 0.00 H new ATOM 0 HA MET A 10 -8.719 -8.772 -19.448 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.507 -7.002 -21.793 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.537 -7.499 -20.465 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.885 -5.747 -19.238 1.00 0.00 H new ATOM 0 HG3 MET A 10 -8.206 -6.234 -19.360 1.00 0.00 H new ATOM 0 HE1 MET A 10 -9.342 -2.384 -20.289 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.451 -3.565 -18.962 1.00 0.00 H new ATOM 0 HE3 MET A 10 -7.861 -2.972 -19.497 1.00 0.00 H new ATOM 122 N GLY A 11 -10.063 -10.331 -20.981 1.00 0.00 N ATOM 123 CA GLY A 11 -10.543 -11.450 -21.770 1.00 0.00 C ATOM 124 C GLY A 11 -11.951 -11.864 -21.392 1.00 0.00 C ATOM 125 O GLY A 11 -12.466 -11.460 -20.349 1.00 0.00 O ATOM 0 H GLY A 11 -10.576 -10.166 -20.115 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.517 -11.183 -22.827 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.871 -12.298 -21.639 1.00 0.00 H new ATOM 129 N VAL A 12 -12.578 -12.670 -22.243 1.00 0.00 N ATOM 130 CA VAL A 12 -13.936 -13.138 -21.993 1.00 0.00 C ATOM 131 C VAL A 12 -13.939 -14.584 -21.510 1.00 0.00 C ATOM 132 O VAL A 12 -13.181 -15.417 -22.008 1.00 0.00 O ATOM 133 CB VAL A 12 -14.808 -13.030 -23.258 1.00 0.00 C ATOM 134 CG1 VAL A 12 -14.890 -11.585 -23.728 1.00 0.00 C ATOM 135 CG2 VAL A 12 -14.264 -13.927 -24.359 1.00 0.00 C ATOM 0 H VAL A 12 -12.167 -13.012 -23.112 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.354 -12.497 -21.216 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.816 -13.365 -23.013 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.510 -11.528 -24.623 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.330 -10.971 -22.942 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.889 -11.219 -23.956 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.893 -13.838 -25.245 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.246 -13.625 -24.605 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.263 -14.962 -24.018 1.00 0.00 H new ATOM 145 N ILE A 13 -14.796 -14.875 -20.537 1.00 0.00 N ATOM 146 CA ILE A 13 -14.898 -16.221 -19.987 1.00 0.00 C ATOM 147 C ILE A 13 -15.574 -17.168 -20.973 1.00 0.00 C ATOM 148 O ILE A 13 -16.799 -17.194 -21.084 1.00 0.00 O ATOM 149 CB ILE A 13 -15.685 -16.230 -18.663 1.00 0.00 C ATOM 150 CG1 ILE A 13 -15.046 -15.268 -17.659 1.00 0.00 C ATOM 151 CG2 ILE A 13 -15.743 -17.639 -18.092 1.00 0.00 C ATOM 152 CD1 ILE A 13 -13.534 -15.278 -17.691 1.00 0.00 C ATOM 0 H ILE A 13 -15.429 -14.197 -20.114 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.880 -16.562 -19.798 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.704 -15.896 -18.860 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -15.399 -14.257 -17.862 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -15.382 -15.528 -16.655 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.302 -17.630 -17.156 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.238 -18.300 -18.804 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -14.731 -17.998 -17.906 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.150 -14.573 -16.954 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -13.172 -16.279 -17.458 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.189 -14.989 -18.684 1.00 0.00 H new ATOM 164 N ALA A 14 -14.767 -17.945 -21.687 1.00 0.00 N ATOM 165 CA ALA A 14 -15.286 -18.897 -22.662 1.00 0.00 C ATOM 166 C ALA A 14 -16.131 -19.970 -21.984 1.00 0.00 C ATOM 167 O ALA A 14 -17.025 -20.550 -22.599 1.00 0.00 O ATOM 168 CB ALA A 14 -14.144 -19.533 -23.439 1.00 0.00 C ATOM 0 H ALA A 14 -13.750 -17.934 -21.609 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.925 -18.355 -23.359 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.547 -20.241 -24.163 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.584 -18.758 -23.962 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.482 -20.056 -22.749 1.00 0.00 H new ATOM 174 N ALA A 15 -15.840 -20.231 -20.713 1.00 0.00 N ATOM 175 CA ALA A 15 -16.574 -21.234 -19.952 1.00 0.00 C ATOM 176 C ALA A 15 -16.144 -21.235 -18.489 1.00 0.00 C ATOM 177 O ALA A 15 -15.047 -20.790 -18.154 1.00 0.00 O ATOM 178 CB ALA A 15 -16.372 -22.612 -20.564 1.00 0.00 C ATOM 0 H ALA A 15 -15.101 -19.761 -20.189 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.634 -20.982 -19.992 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.926 -23.352 -19.986 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.734 -22.610 -21.592 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.311 -22.863 -20.553 1.00 0.00 H new ATOM 184 N MET A 16 -17.017 -21.738 -17.621 1.00 0.00 N ATOM 185 CA MET A 16 -16.726 -21.797 -16.194 1.00 0.00 C ATOM 186 C MET A 16 -17.559 -22.880 -15.514 1.00 0.00 C ATOM 187 O MET A 16 -18.595 -22.594 -14.914 1.00 0.00 O ATOM 188 CB MET A 16 -17.000 -20.441 -15.539 1.00 0.00 C ATOM 189 CG MET A 16 -18.142 -19.674 -16.185 1.00 0.00 C ATOM 190 SD MET A 16 -18.246 -17.968 -15.610 1.00 0.00 S ATOM 191 CE MET A 16 -18.074 -18.196 -13.842 1.00 0.00 C ATOM 0 H MET A 16 -17.930 -22.110 -17.881 1.00 0.00 H new ATOM 0 HA MET A 16 -15.671 -22.044 -16.074 1.00 0.00 H new ATOM 0 HB2 MET A 16 -17.228 -20.596 -14.484 1.00 0.00 H new ATOM 0 HB3 MET A 16 -16.095 -19.835 -15.584 1.00 0.00 H new ATOM 0 HG2 MET A 16 -18.013 -19.681 -17.267 1.00 0.00 H new ATOM 0 HG3 MET A 16 -19.082 -20.183 -15.973 1.00 0.00 H new ATOM 0 HE1 MET A 16 -18.603 -17.399 -13.319 1.00 0.00 H new ATOM 0 HE2 MET A 16 -18.496 -19.160 -13.557 1.00 0.00 H new ATOM 0 HE3 MET A 16 -17.018 -18.168 -13.573 1.00 0.00 H new ATOM 201 N ARG A 17 -17.099 -24.123 -15.613 1.00 0.00 N ATOM 202 CA ARG A 17 -17.803 -25.248 -15.008 1.00 0.00 C ATOM 203 C ARG A 17 -17.240 -25.561 -13.625 1.00 0.00 C ATOM 204 O ARG A 17 -16.079 -25.271 -13.336 1.00 0.00 O ATOM 205 CB ARG A 17 -17.699 -26.483 -15.905 1.00 0.00 C ATOM 206 CG ARG A 17 -18.646 -26.454 -17.094 1.00 0.00 C ATOM 207 CD ARG A 17 -18.207 -25.433 -18.131 1.00 0.00 C ATOM 208 NE ARG A 17 -16.808 -25.607 -18.514 1.00 0.00 N ATOM 209 CZ ARG A 17 -16.382 -26.573 -19.320 1.00 0.00 C ATOM 210 NH1 ARG A 17 -17.242 -27.446 -19.826 1.00 0.00 N ATOM 211 NH2 ARG A 17 -15.093 -26.667 -19.621 1.00 0.00 N ATOM 0 H ARG A 17 -16.243 -24.377 -16.106 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.852 -24.973 -14.900 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.675 -26.572 -16.269 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.904 -27.373 -15.309 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -18.689 -27.443 -17.551 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -19.654 -26.217 -16.752 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -18.838 -25.520 -19.015 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -18.352 -24.428 -17.734 1.00 0.00 H new ATOM 0 HE ARG A 17 -16.121 -24.951 -18.142 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -18.233 -27.377 -19.597 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.912 -28.187 -20.445 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.429 -25.997 -19.233 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.767 -27.409 -20.240 1.00 0.00 H new ATOM 225 N ASP A 18 -18.071 -26.154 -12.775 1.00 0.00 N ATOM 226 CA ASP A 18 -17.656 -26.508 -11.422 1.00 0.00 C ATOM 227 C ASP A 18 -16.260 -27.122 -11.425 1.00 0.00 C ATOM 228 O ASP A 18 -16.077 -28.272 -11.822 1.00 0.00 O ATOM 229 CB ASP A 18 -18.655 -27.484 -10.799 1.00 0.00 C ATOM 230 CG ASP A 18 -20.067 -26.933 -10.777 1.00 0.00 C ATOM 231 OD1 ASP A 18 -20.677 -26.821 -11.861 1.00 0.00 O ATOM 232 OD2 ASP A 18 -20.562 -26.612 -9.676 1.00 0.00 O ATOM 0 H ASP A 18 -19.035 -26.400 -12.998 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.630 -25.596 -10.826 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -18.642 -28.419 -11.359 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -18.343 -27.718 -9.781 1.00 0.00 H new ATOM 237 N GLY A 19 -15.276 -26.346 -10.979 1.00 0.00 N ATOM 238 CA GLY A 19 -13.909 -26.830 -10.939 1.00 0.00 C ATOM 239 C GLY A 19 -12.931 -25.859 -11.571 1.00 0.00 C ATOM 240 O GLY A 19 -11.955 -25.452 -10.941 1.00 0.00 O ATOM 0 H GLY A 19 -15.402 -25.391 -10.645 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.620 -27.009 -9.903 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.851 -27.788 -11.456 1.00 0.00 H new ATOM 244 N PHE A 20 -13.193 -25.487 -12.819 1.00 0.00 N ATOM 245 CA PHE A 20 -12.327 -24.559 -13.537 1.00 0.00 C ATOM 246 C PHE A 20 -13.108 -23.802 -14.607 1.00 0.00 C ATOM 247 O PHE A 20 -14.332 -23.903 -14.685 1.00 0.00 O ATOM 248 CB PHE A 20 -11.159 -25.311 -14.179 1.00 0.00 C ATOM 249 CG PHE A 20 -11.463 -25.829 -15.555 1.00 0.00 C ATOM 250 CD1 PHE A 20 -12.746 -26.234 -15.890 1.00 0.00 C ATOM 251 CD2 PHE A 20 -10.467 -25.911 -16.515 1.00 0.00 C ATOM 252 CE1 PHE A 20 -13.028 -26.712 -17.155 1.00 0.00 C ATOM 253 CE2 PHE A 20 -10.744 -26.389 -17.783 1.00 0.00 C ATOM 254 CZ PHE A 20 -12.027 -26.788 -18.103 1.00 0.00 C ATOM 0 H PHE A 20 -13.998 -25.814 -13.354 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.936 -23.838 -12.819 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -10.296 -24.648 -14.232 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.880 -26.147 -13.538 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -13.534 -26.175 -15.154 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -9.463 -25.598 -16.270 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -14.031 -27.026 -17.402 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -9.958 -26.450 -18.522 1.00 0.00 H new ATOM 0 HZ PHE A 20 -12.247 -27.159 -19.093 1.00 0.00 H new ATOM 264 N GLY A 21 -12.391 -23.043 -15.431 1.00 0.00 N ATOM 265 CA GLY A 21 -13.033 -22.280 -16.485 1.00 0.00 C ATOM 266 C GLY A 21 -12.098 -21.987 -17.641 1.00 0.00 C ATOM 267 O GLY A 21 -11.096 -22.678 -17.829 1.00 0.00 O ATOM 0 H GLY A 21 -11.377 -22.943 -15.387 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.898 -22.831 -16.853 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.404 -21.341 -16.075 1.00 0.00 H new ATOM 271 N PHE A 22 -12.424 -20.960 -18.418 1.00 0.00 N ATOM 272 CA PHE A 22 -11.607 -20.578 -19.564 1.00 0.00 C ATOM 273 C PHE A 22 -11.748 -19.088 -19.860 1.00 0.00 C ATOM 274 O PHE A 22 -12.780 -18.482 -19.573 1.00 0.00 O ATOM 275 CB PHE A 22 -12.005 -21.394 -20.795 1.00 0.00 C ATOM 276 CG PHE A 22 -11.581 -22.833 -20.723 1.00 0.00 C ATOM 277 CD1 PHE A 22 -10.275 -23.170 -20.409 1.00 0.00 C ATOM 278 CD2 PHE A 22 -12.490 -23.850 -20.970 1.00 0.00 C ATOM 279 CE1 PHE A 22 -9.882 -24.494 -20.342 1.00 0.00 C ATOM 280 CE2 PHE A 22 -12.104 -25.175 -20.903 1.00 0.00 C ATOM 281 CZ PHE A 22 -10.798 -25.497 -20.590 1.00 0.00 C ATOM 0 H PHE A 22 -13.249 -20.377 -18.275 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.565 -20.785 -19.321 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -13.087 -21.348 -20.917 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.565 -20.938 -21.681 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -9.555 -22.389 -20.214 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -13.512 -23.604 -21.218 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.860 -24.743 -20.096 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -12.823 -25.958 -21.095 1.00 0.00 H new ATOM 0 HZ PHE A 22 -10.494 -26.532 -20.539 1.00 0.00 H new ATOM 291 N ILE A 23 -10.702 -18.504 -20.435 1.00 0.00 N ATOM 292 CA ILE A 23 -10.708 -17.085 -20.771 1.00 0.00 C ATOM 293 C ILE A 23 -10.094 -16.843 -22.145 1.00 0.00 C ATOM 294 O ILE A 23 -8.893 -17.026 -22.342 1.00 0.00 O ATOM 295 CB ILE A 23 -9.941 -16.256 -19.724 1.00 0.00 C ATOM 296 CG1 ILE A 23 -10.450 -16.573 -18.317 1.00 0.00 C ATOM 297 CG2 ILE A 23 -10.080 -14.770 -20.021 1.00 0.00 C ATOM 298 CD1 ILE A 23 -9.383 -16.470 -17.250 1.00 0.00 C ATOM 0 H ILE A 23 -9.840 -18.991 -20.678 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.751 -16.767 -20.781 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.885 -16.521 -19.775 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.264 -15.891 -18.072 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.865 -17.581 -18.308 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.533 -14.197 -19.273 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.674 -14.557 -21.010 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.133 -14.490 -19.993 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.816 -16.708 -16.278 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.579 -17.172 -17.471 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.984 -15.456 -17.231 1.00 0.00 H new ATOM 310 N LYS A 24 -10.927 -16.427 -23.094 1.00 0.00 N ATOM 311 CA LYS A 24 -10.467 -16.155 -24.451 1.00 0.00 C ATOM 312 C LYS A 24 -9.945 -14.727 -24.572 1.00 0.00 C ATOM 313 O LYS A 24 -10.526 -13.794 -24.017 1.00 0.00 O ATOM 314 CB LYS A 24 -11.602 -16.382 -25.451 1.00 0.00 C ATOM 315 CG LYS A 24 -11.282 -15.898 -26.855 1.00 0.00 C ATOM 316 CD LYS A 24 -12.544 -15.571 -27.634 1.00 0.00 C ATOM 317 CE LYS A 24 -13.020 -16.763 -28.450 1.00 0.00 C ATOM 318 NZ LYS A 24 -13.484 -16.357 -29.806 1.00 0.00 N ATOM 0 H LYS A 24 -11.924 -16.271 -22.948 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.651 -16.841 -24.676 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.836 -17.446 -25.487 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.496 -15.871 -25.095 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.648 -15.013 -26.800 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.715 -16.664 -27.384 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.330 -15.264 -26.944 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.355 -14.727 -28.297 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.209 -17.485 -28.545 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.832 -17.263 -27.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.800 -17.197 -30.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.274 -15.687 -29.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.702 -15.903 -30.319 1.00 0.00 H new ATOM 332 N CYS A 25 -8.847 -14.564 -25.302 1.00 0.00 N ATOM 333 CA CYS A 25 -8.247 -13.249 -25.497 1.00 0.00 C ATOM 334 C CYS A 25 -8.995 -12.464 -26.569 1.00 0.00 C ATOM 335 O CYS A 25 -9.687 -13.041 -27.407 1.00 0.00 O ATOM 336 CB CYS A 25 -6.774 -13.389 -25.884 1.00 0.00 C ATOM 337 SG CYS A 25 -5.626 -12.644 -24.703 1.00 0.00 S ATOM 0 H CYS A 25 -8.354 -15.326 -25.768 1.00 0.00 H new ATOM 0 HA CYS A 25 -8.317 -12.702 -24.557 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.536 -14.448 -25.987 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.621 -12.931 -26.861 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.406 -12.816 -25.116 1.00 0.00 H new ATOM 343 N VAL A 26 -8.852 -11.142 -26.536 1.00 0.00 N ATOM 344 CA VAL A 26 -9.514 -10.277 -27.505 1.00 0.00 C ATOM 345 C VAL A 26 -8.988 -10.526 -28.914 1.00 0.00 C ATOM 346 O VAL A 26 -9.762 -10.650 -29.864 1.00 0.00 O ATOM 347 CB VAL A 26 -9.323 -8.790 -27.152 1.00 0.00 C ATOM 348 CG1 VAL A 26 -9.898 -7.904 -28.247 1.00 0.00 C ATOM 349 CG2 VAL A 26 -9.963 -8.475 -25.809 1.00 0.00 C ATOM 0 H VAL A 26 -8.284 -10.647 -25.849 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.577 -10.517 -27.470 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.255 -8.586 -27.076 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.754 -6.857 -27.981 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.389 -8.112 -29.188 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.963 -8.107 -28.358 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.818 -7.420 -25.576 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.030 -8.694 -25.854 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.500 -9.085 -25.033 1.00 0.00 H new ATOM 359 N ASP A 27 -7.668 -10.598 -29.042 1.00 0.00 N ATOM 360 CA ASP A 27 -7.037 -10.834 -30.336 1.00 0.00 C ATOM 361 C ASP A 27 -6.603 -12.290 -30.472 1.00 0.00 C ATOM 362 O ASP A 27 -6.773 -12.903 -31.526 1.00 0.00 O ATOM 363 CB ASP A 27 -5.831 -9.910 -30.515 1.00 0.00 C ATOM 364 CG ASP A 27 -5.530 -9.627 -31.973 1.00 0.00 C ATOM 365 OD1 ASP A 27 -6.161 -8.712 -32.543 1.00 0.00 O ATOM 366 OD2 ASP A 27 -4.663 -10.321 -32.545 1.00 0.00 O ATOM 0 H ASP A 27 -7.014 -10.496 -28.266 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.769 -10.618 -31.114 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.017 -8.970 -29.996 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.957 -10.364 -30.048 1.00 0.00 H new ATOM 371 N ARG A 28 -6.042 -12.837 -29.398 1.00 0.00 N ATOM 372 CA ARG A 28 -5.581 -14.220 -29.399 1.00 0.00 C ATOM 373 C ARG A 28 -6.762 -15.186 -29.402 1.00 0.00 C ATOM 374 O ARG A 28 -7.874 -14.825 -29.015 1.00 0.00 O ATOM 375 CB ARG A 28 -4.696 -14.485 -28.180 1.00 0.00 C ATOM 376 CG ARG A 28 -3.209 -14.488 -28.497 1.00 0.00 C ATOM 377 CD ARG A 28 -2.788 -15.780 -29.180 1.00 0.00 C ATOM 378 NE ARG A 28 -1.808 -15.545 -30.237 1.00 0.00 N ATOM 379 CZ ARG A 28 -0.584 -15.081 -30.015 1.00 0.00 C ATOM 380 NH1 ARG A 28 -0.191 -14.802 -28.779 1.00 0.00 N ATOM 381 NH2 ARG A 28 0.251 -14.893 -31.029 1.00 0.00 N ATOM 0 H ARG A 28 -5.896 -12.344 -28.517 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.998 -14.382 -30.306 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.896 -13.726 -27.424 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.968 -15.447 -27.746 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.971 -13.641 -29.140 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.639 -14.359 -27.577 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.367 -16.461 -28.440 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.666 -16.270 -29.602 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.079 -15.749 -31.199 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.830 -14.944 -27.996 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.750 -14.446 -28.611 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.047 -15.105 -31.981 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.191 -14.536 -30.856 1.00 0.00 H new ATOM 395 N ASP A 29 -6.514 -16.415 -29.843 1.00 0.00 N ATOM 396 CA ASP A 29 -7.556 -17.433 -29.897 1.00 0.00 C ATOM 397 C ASP A 29 -7.226 -18.598 -28.969 1.00 0.00 C ATOM 398 O ASP A 29 -7.397 -19.762 -29.331 1.00 0.00 O ATOM 399 CB ASP A 29 -7.730 -17.940 -31.330 1.00 0.00 C ATOM 400 CG ASP A 29 -8.804 -17.183 -32.086 1.00 0.00 C ATOM 401 OD1 ASP A 29 -8.568 -16.006 -32.430 1.00 0.00 O ATOM 402 OD2 ASP A 29 -9.880 -17.766 -32.333 1.00 0.00 O ATOM 0 H ASP A 29 -5.600 -16.730 -30.168 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.490 -16.980 -29.564 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.783 -17.849 -31.862 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.983 -19.000 -31.309 1.00 0.00 H new ATOM 407 N VAL A 30 -6.752 -18.276 -27.769 1.00 0.00 N ATOM 408 CA VAL A 30 -6.398 -19.295 -26.789 1.00 0.00 C ATOM 409 C VAL A 30 -7.171 -19.099 -25.489 1.00 0.00 C ATOM 410 O VAL A 30 -7.470 -17.971 -25.097 1.00 0.00 O ATOM 411 CB VAL A 30 -4.888 -19.279 -26.483 1.00 0.00 C ATOM 412 CG1 VAL A 30 -4.087 -19.052 -27.756 1.00 0.00 C ATOM 413 CG2 VAL A 30 -4.567 -18.215 -25.444 1.00 0.00 C ATOM 0 H VAL A 30 -6.605 -17.317 -27.453 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.663 -20.259 -27.224 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.607 -20.250 -26.075 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.023 -19.044 -27.520 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.295 -19.854 -28.465 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.368 -18.096 -28.197 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.496 -18.217 -25.240 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.862 -17.236 -25.822 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.112 -18.428 -24.525 1.00 0.00 H new ATOM 423 N ARG A 31 -7.491 -20.205 -24.825 1.00 0.00 N ATOM 424 CA ARG A 31 -8.230 -20.155 -23.570 1.00 0.00 C ATOM 425 C ARG A 31 -7.286 -20.281 -22.378 1.00 0.00 C ATOM 426 O ARG A 31 -6.476 -21.205 -22.309 1.00 0.00 O ATOM 427 CB ARG A 31 -9.277 -21.270 -23.525 1.00 0.00 C ATOM 428 CG ARG A 31 -8.692 -22.662 -23.701 1.00 0.00 C ATOM 429 CD ARG A 31 -9.141 -23.293 -25.009 1.00 0.00 C ATOM 430 NE ARG A 31 -9.319 -24.738 -24.887 1.00 0.00 N ATOM 431 CZ ARG A 31 -9.611 -25.531 -25.912 1.00 0.00 C ATOM 432 NH1 ARG A 31 -9.756 -25.024 -27.128 1.00 0.00 N ATOM 433 NH2 ARG A 31 -9.758 -26.836 -25.721 1.00 0.00 N ATOM 0 H ARG A 31 -7.250 -21.146 -25.136 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.734 -19.190 -23.512 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.804 -21.224 -22.572 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.016 -21.094 -24.306 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.604 -22.606 -23.677 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.997 -23.294 -22.867 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.079 -22.838 -25.328 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.405 -23.083 -25.785 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.213 -25.161 -23.965 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.643 -24.022 -27.279 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.980 -25.636 -27.912 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.647 -27.230 -24.787 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.982 -27.445 -26.508 1.00 0.00 H new ATOM 447 N MET A 32 -7.396 -19.344 -21.441 1.00 0.00 N ATOM 448 CA MET A 32 -6.553 -19.351 -20.252 1.00 0.00 C ATOM 449 C MET A 32 -7.276 -19.998 -19.075 1.00 0.00 C ATOM 450 O MET A 32 -7.906 -19.313 -18.269 1.00 0.00 O ATOM 451 CB MET A 32 -6.137 -17.924 -19.887 1.00 0.00 C ATOM 452 CG MET A 32 -5.319 -17.837 -18.609 1.00 0.00 C ATOM 453 SD MET A 32 -3.648 -18.484 -18.809 1.00 0.00 S ATOM 454 CE MET A 32 -2.747 -16.983 -19.190 1.00 0.00 C ATOM 0 H MET A 32 -8.060 -18.571 -21.483 1.00 0.00 H new ATOM 0 HA MET A 32 -5.661 -19.937 -20.474 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.558 -17.502 -20.708 1.00 0.00 H new ATOM 0 HB3 MET A 32 -7.031 -17.310 -19.779 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.266 -16.797 -18.286 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.827 -18.390 -17.819 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.268 -17.084 -20.164 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.437 -16.140 -19.211 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.987 -16.811 -18.428 1.00 0.00 H new ATOM 464 N PHE A 33 -7.183 -21.320 -18.984 1.00 0.00 N ATOM 465 CA PHE A 33 -7.830 -22.060 -17.906 1.00 0.00 C ATOM 466 C PHE A 33 -7.364 -21.555 -16.544 1.00 0.00 C ATOM 467 O PHE A 33 -6.173 -21.585 -16.233 1.00 0.00 O ATOM 468 CB PHE A 33 -7.536 -23.555 -18.037 1.00 0.00 C ATOM 469 CG PHE A 33 -6.320 -23.996 -17.273 1.00 0.00 C ATOM 470 CD1 PHE A 33 -5.049 -23.712 -17.743 1.00 0.00 C ATOM 471 CD2 PHE A 33 -6.450 -24.695 -16.083 1.00 0.00 C ATOM 472 CE1 PHE A 33 -3.928 -24.116 -17.042 1.00 0.00 C ATOM 473 CE2 PHE A 33 -5.333 -25.101 -15.377 1.00 0.00 C ATOM 474 CZ PHE A 33 -4.071 -24.812 -15.858 1.00 0.00 C ATOM 0 H PHE A 33 -6.666 -21.902 -19.643 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.905 -21.901 -17.984 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.400 -24.119 -17.686 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.402 -23.800 -19.091 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.932 -23.168 -18.669 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.435 -24.925 -15.703 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.942 -23.888 -17.420 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.447 -25.644 -14.450 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.197 -25.130 -15.309 1.00 0.00 H new ATOM 484 N PHE A 34 -8.312 -21.092 -15.735 1.00 0.00 N ATOM 485 CA PHE A 34 -7.999 -20.579 -14.406 1.00 0.00 C ATOM 486 C PHE A 34 -8.699 -21.401 -13.328 1.00 0.00 C ATOM 487 O PHE A 34 -9.570 -22.220 -13.623 1.00 0.00 O ATOM 488 CB PHE A 34 -8.413 -19.111 -14.293 1.00 0.00 C ATOM 489 CG PHE A 34 -9.888 -18.888 -14.473 1.00 0.00 C ATOM 490 CD1 PHE A 34 -10.466 -18.968 -15.730 1.00 0.00 C ATOM 491 CD2 PHE A 34 -10.696 -18.599 -13.385 1.00 0.00 C ATOM 492 CE1 PHE A 34 -11.822 -18.764 -15.899 1.00 0.00 C ATOM 493 CE2 PHE A 34 -12.053 -18.394 -13.548 1.00 0.00 C ATOM 494 CZ PHE A 34 -12.617 -18.475 -14.806 1.00 0.00 C ATOM 0 H PHE A 34 -9.303 -21.062 -15.976 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.922 -20.658 -14.257 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.113 -18.731 -13.316 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.872 -18.531 -15.041 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.849 -19.192 -16.588 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.261 -18.533 -12.399 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -12.260 -18.830 -16.884 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.672 -18.171 -12.692 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.677 -18.313 -14.935 1.00 0.00 H new ATOM 504 N HIS A 35 -8.310 -21.178 -12.077 1.00 0.00 N ATOM 505 CA HIS A 35 -8.899 -21.897 -10.953 1.00 0.00 C ATOM 506 C HIS A 35 -9.878 -21.008 -10.192 1.00 0.00 C ATOM 507 O HIS A 35 -9.774 -19.782 -10.224 1.00 0.00 O ATOM 508 CB HIS A 35 -7.805 -22.395 -10.009 1.00 0.00 C ATOM 509 CG HIS A 35 -7.171 -23.679 -10.450 1.00 0.00 C ATOM 510 ND1 HIS A 35 -6.966 -24.747 -9.603 1.00 0.00 N ATOM 511 CD2 HIS A 35 -6.699 -24.063 -11.659 1.00 0.00 C ATOM 512 CE1 HIS A 35 -6.393 -25.732 -10.271 1.00 0.00 C ATOM 513 NE2 HIS A 35 -6.220 -25.343 -11.521 1.00 0.00 N ATOM 0 H HIS A 35 -7.589 -20.505 -11.816 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.445 -22.754 -11.348 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.034 -21.629 -9.924 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.230 -22.532 -9.014 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.699 -23.473 -12.564 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.113 -26.692 -9.864 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.799 -25.902 -12.263 1.00 0.00 H new ATOM 521 N PHE A 36 -10.830 -21.635 -9.508 1.00 0.00 N ATOM 522 CA PHE A 36 -11.829 -20.901 -8.740 1.00 0.00 C ATOM 523 C PHE A 36 -11.266 -20.468 -7.389 1.00 0.00 C ATOM 524 O PHE A 36 -11.938 -20.573 -6.363 1.00 0.00 O ATOM 525 CB PHE A 36 -13.078 -21.761 -8.533 1.00 0.00 C ATOM 526 CG PHE A 36 -13.994 -21.783 -9.723 1.00 0.00 C ATOM 527 CD1 PHE A 36 -14.968 -20.810 -9.882 1.00 0.00 C ATOM 528 CD2 PHE A 36 -13.882 -22.776 -10.682 1.00 0.00 C ATOM 529 CE1 PHE A 36 -15.813 -20.827 -10.976 1.00 0.00 C ATOM 530 CE2 PHE A 36 -14.723 -22.798 -11.779 1.00 0.00 C ATOM 531 CZ PHE A 36 -15.691 -21.823 -11.925 1.00 0.00 C ATOM 0 H PHE A 36 -10.930 -22.649 -9.470 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.101 -20.009 -9.304 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.773 -22.781 -8.301 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -13.627 -21.388 -7.669 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -15.068 -20.029 -9.143 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -13.129 -23.542 -10.572 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -16.568 -20.062 -11.088 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -14.623 -23.576 -12.521 1.00 0.00 H new ATOM 0 HZ PHE A 36 -16.351 -21.840 -12.780 1.00 0.00 H new ATOM 541 N SER A 37 -10.030 -19.981 -7.399 1.00 0.00 N ATOM 542 CA SER A 37 -9.374 -19.536 -6.174 1.00 0.00 C ATOM 543 C SER A 37 -8.893 -18.094 -6.309 1.00 0.00 C ATOM 544 O SER A 37 -8.726 -17.390 -5.314 1.00 0.00 O ATOM 545 CB SER A 37 -8.194 -20.450 -5.842 1.00 0.00 C ATOM 546 OG SER A 37 -8.614 -21.569 -5.080 1.00 0.00 O ATOM 0 H SER A 37 -9.462 -19.884 -8.241 1.00 0.00 H new ATOM 0 HA SER A 37 -10.101 -19.584 -5.363 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.723 -20.790 -6.764 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.441 -19.890 -5.287 1.00 0.00 H new ATOM 0 HG SER A 37 -7.841 -22.139 -4.882 1.00 0.00 H new ATOM 552 N GLU A 38 -8.673 -17.664 -7.547 1.00 0.00 N ATOM 553 CA GLU A 38 -8.210 -16.306 -7.812 1.00 0.00 C ATOM 554 C GLU A 38 -9.382 -15.329 -7.846 1.00 0.00 C ATOM 555 O GLU A 38 -9.189 -14.114 -7.886 1.00 0.00 O ATOM 556 CB GLU A 38 -7.449 -16.253 -9.138 1.00 0.00 C ATOM 557 CG GLU A 38 -6.221 -17.149 -9.172 1.00 0.00 C ATOM 558 CD GLU A 38 -5.438 -17.113 -7.874 1.00 0.00 C ATOM 559 OE1 GLU A 38 -5.332 -16.023 -7.274 1.00 0.00 O ATOM 560 OE2 GLU A 38 -4.930 -18.176 -7.459 1.00 0.00 O ATOM 0 H GLU A 38 -8.807 -18.235 -8.382 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.539 -16.014 -7.004 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.122 -16.542 -9.945 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.143 -15.225 -9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.529 -18.174 -9.378 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.573 -16.840 -9.992 1.00 0.00 H new ATOM 567 N ILE A 39 -10.595 -15.869 -7.832 1.00 0.00 N ATOM 568 CA ILE A 39 -11.798 -15.046 -7.861 1.00 0.00 C ATOM 569 C ILE A 39 -12.026 -14.358 -6.519 1.00 0.00 C ATOM 570 O ILE A 39 -12.998 -13.623 -6.343 1.00 0.00 O ATOM 571 CB ILE A 39 -13.043 -15.880 -8.215 1.00 0.00 C ATOM 572 CG1 ILE A 39 -12.754 -16.781 -9.418 1.00 0.00 C ATOM 573 CG2 ILE A 39 -14.227 -14.968 -8.502 1.00 0.00 C ATOM 574 CD1 ILE A 39 -13.871 -17.754 -9.725 1.00 0.00 C ATOM 0 H ILE A 39 -10.771 -16.873 -7.801 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.645 -14.291 -8.633 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.294 -16.512 -7.363 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.575 -16.158 -10.294 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.837 -17.340 -9.231 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -15.100 -15.572 -8.751 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.443 -14.364 -7.621 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.988 -14.314 -9.340 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.598 -18.360 -10.589 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.036 -18.402 -8.864 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.785 -17.202 -9.943 1.00 0.00 H new ATOM 586 N LEU A 40 -11.123 -14.601 -5.575 1.00 0.00 N ATOM 587 CA LEU A 40 -11.223 -14.004 -4.248 1.00 0.00 C ATOM 588 C LEU A 40 -11.374 -12.489 -4.343 1.00 0.00 C ATOM 589 O LEU A 40 -11.840 -11.842 -3.405 1.00 0.00 O ATOM 590 CB LEU A 40 -9.989 -14.354 -3.415 1.00 0.00 C ATOM 591 CG LEU A 40 -8.637 -14.148 -4.098 1.00 0.00 C ATOM 592 CD1 LEU A 40 -8.328 -12.666 -4.233 1.00 0.00 C ATOM 593 CD2 LEU A 40 -7.535 -14.857 -3.325 1.00 0.00 C ATOM 0 H LEU A 40 -10.313 -15.208 -5.704 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.109 -14.409 -3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.008 -13.755 -2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.065 -15.398 -3.111 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.687 -14.580 -5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.362 -12.539 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.103 -12.186 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.297 -12.209 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.580 -14.699 -3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.484 -14.456 -2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.750 -15.925 -3.282 1.00 0.00 H new ATOM 605 N ASP A 41 -10.978 -11.931 -5.481 1.00 0.00 N ATOM 606 CA ASP A 41 -11.072 -10.492 -5.700 1.00 0.00 C ATOM 607 C ASP A 41 -12.471 -9.982 -5.369 1.00 0.00 C ATOM 608 O ASP A 41 -12.676 -8.785 -5.172 1.00 0.00 O ATOM 609 CB ASP A 41 -10.720 -10.151 -7.149 1.00 0.00 C ATOM 610 CG ASP A 41 -10.042 -8.802 -7.278 1.00 0.00 C ATOM 611 OD1 ASP A 41 -10.505 -7.840 -6.630 1.00 0.00 O ATOM 612 OD2 ASP A 41 -9.047 -8.708 -8.027 1.00 0.00 O ATOM 0 H ASP A 41 -10.589 -12.453 -6.266 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.360 -10.001 -5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.065 -10.923 -7.552 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.628 -10.157 -7.751 1.00 0.00 H new ATOM 617 N GLY A 42 -13.431 -10.899 -5.311 1.00 0.00 N ATOM 618 CA GLY A 42 -14.799 -10.523 -5.005 1.00 0.00 C ATOM 619 C GLY A 42 -15.567 -10.079 -6.235 1.00 0.00 C ATOM 620 O GLY A 42 -15.560 -8.901 -6.587 1.00 0.00 O ATOM 0 H GLY A 42 -13.286 -11.896 -5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.311 -11.369 -4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.796 -9.717 -4.272 1.00 0.00 H new ATOM 624 N ASN A 43 -16.230 -11.027 -6.890 1.00 0.00 N ATOM 625 CA ASN A 43 -17.004 -10.727 -8.089 1.00 0.00 C ATOM 626 C ASN A 43 -17.484 -12.010 -8.762 1.00 0.00 C ATOM 627 O ASN A 43 -16.679 -12.815 -9.229 1.00 0.00 O ATOM 628 CB ASN A 43 -16.166 -9.906 -9.071 1.00 0.00 C ATOM 629 CG ASN A 43 -16.449 -8.419 -8.970 1.00 0.00 C ATOM 630 OD1 ASN A 43 -17.602 -7.991 -9.011 1.00 0.00 O ATOM 631 ND2 ASN A 43 -15.393 -7.624 -8.836 1.00 0.00 N ATOM 0 H ASN A 43 -16.247 -12.008 -6.611 1.00 0.00 H new ATOM 0 HA ASN A 43 -17.876 -10.145 -7.791 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -15.108 -10.086 -8.880 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -16.368 -10.243 -10.088 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -15.521 -6.615 -8.762 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.455 -8.023 -8.807 1.00 0.00 H new ATOM 638 N GLN A 44 -18.800 -12.192 -8.807 1.00 0.00 N ATOM 639 CA GLN A 44 -19.386 -13.377 -9.422 1.00 0.00 C ATOM 640 C GLN A 44 -19.134 -13.390 -10.926 1.00 0.00 C ATOM 641 O GLN A 44 -19.702 -12.587 -11.668 1.00 0.00 O ATOM 642 CB GLN A 44 -20.889 -13.431 -9.144 1.00 0.00 C ATOM 643 CG GLN A 44 -21.308 -14.619 -8.293 1.00 0.00 C ATOM 644 CD GLN A 44 -22.481 -14.303 -7.387 1.00 0.00 C ATOM 645 OE1 GLN A 44 -23.472 -13.713 -7.818 1.00 0.00 O ATOM 646 NE2 GLN A 44 -22.376 -14.696 -6.123 1.00 0.00 N ATOM 0 H GLN A 44 -19.480 -11.534 -8.425 1.00 0.00 H new ATOM 0 HA GLN A 44 -18.911 -14.255 -8.985 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -21.191 -12.511 -8.643 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.424 -13.467 -10.093 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -21.571 -15.453 -8.944 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.462 -14.943 -7.686 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -21.536 -15.182 -5.808 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.135 -14.512 -5.467 1.00 0.00 H new ATOM 655 N LEU A 45 -18.280 -14.306 -11.370 1.00 0.00 N ATOM 656 CA LEU A 45 -17.953 -14.424 -12.787 1.00 0.00 C ATOM 657 C LEU A 45 -19.124 -15.008 -13.570 1.00 0.00 C ATOM 658 O LEU A 45 -20.050 -15.577 -12.990 1.00 0.00 O ATOM 659 CB LEU A 45 -16.713 -15.300 -12.972 1.00 0.00 C ATOM 660 CG LEU A 45 -15.374 -14.651 -12.620 1.00 0.00 C ATOM 661 CD1 LEU A 45 -14.862 -13.816 -13.783 1.00 0.00 C ATOM 662 CD2 LEU A 45 -15.508 -13.798 -11.367 1.00 0.00 C ATOM 0 H LEU A 45 -17.802 -14.978 -10.770 1.00 0.00 H new ATOM 0 HA LEU A 45 -17.746 -13.425 -13.171 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.831 -16.196 -12.362 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -16.674 -15.625 -14.012 1.00 0.00 H new ATOM 0 HG LEU A 45 -14.650 -15.442 -12.422 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -13.908 -13.362 -13.513 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -14.726 -14.453 -14.657 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -15.584 -13.033 -14.014 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -14.546 -13.344 -11.131 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -16.247 -13.015 -11.537 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -15.828 -14.423 -10.534 1.00 0.00 H new ATOM 674 N HIS A 46 -19.077 -14.865 -14.890 1.00 0.00 N ATOM 675 CA HIS A 46 -20.133 -15.381 -15.754 1.00 0.00 C ATOM 676 C HIS A 46 -19.705 -15.345 -17.217 1.00 0.00 C ATOM 677 O HIS A 46 -18.857 -14.540 -17.606 1.00 0.00 O ATOM 678 CB HIS A 46 -21.416 -14.572 -15.565 1.00 0.00 C ATOM 679 CG HIS A 46 -22.606 -15.409 -15.209 1.00 0.00 C ATOM 680 ND1 HIS A 46 -23.905 -15.007 -15.440 1.00 0.00 N ATOM 681 CD2 HIS A 46 -22.688 -16.633 -14.638 1.00 0.00 C ATOM 682 CE1 HIS A 46 -24.734 -15.948 -15.024 1.00 0.00 C ATOM 683 NE2 HIS A 46 -24.021 -16.945 -14.534 1.00 0.00 N ATOM 0 H HIS A 46 -18.319 -14.396 -15.385 1.00 0.00 H new ATOM 0 HA HIS A 46 -20.322 -16.418 -15.475 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.256 -13.831 -14.782 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.629 -14.025 -16.483 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -21.859 -17.250 -14.323 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -25.812 -15.908 -15.076 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -24.399 -17.807 -14.142 1.00 0.00 H new ATOM 691 N ILE A 47 -20.295 -16.220 -18.024 1.00 0.00 N ATOM 692 CA ILE A 47 -19.975 -16.287 -19.444 1.00 0.00 C ATOM 693 C ILE A 47 -19.680 -14.901 -20.007 1.00 0.00 C ATOM 694 O ILE A 47 -20.527 -14.009 -19.961 1.00 0.00 O ATOM 695 CB ILE A 47 -21.122 -16.924 -20.251 1.00 0.00 C ATOM 696 CG1 ILE A 47 -21.505 -18.278 -19.652 1.00 0.00 C ATOM 697 CG2 ILE A 47 -20.721 -17.078 -21.710 1.00 0.00 C ATOM 698 CD1 ILE A 47 -20.326 -19.203 -19.444 1.00 0.00 C ATOM 0 H ILE A 47 -20.998 -16.893 -17.718 1.00 0.00 H new ATOM 0 HA ILE A 47 -19.086 -16.911 -19.538 1.00 0.00 H new ATOM 0 HB ILE A 47 -21.991 -16.267 -20.201 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -22.002 -18.115 -18.696 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -22.227 -18.765 -20.308 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -21.542 -17.529 -22.267 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -20.493 -16.098 -22.130 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -19.840 -17.717 -21.780 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -20.673 -20.144 -19.017 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -19.842 -19.396 -20.401 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -19.613 -18.736 -18.764 1.00 0.00 H new ATOM 710 N ALA A 48 -18.475 -14.728 -20.540 1.00 0.00 N ATOM 711 CA ALA A 48 -18.070 -13.452 -21.115 1.00 0.00 C ATOM 712 C ALA A 48 -18.464 -12.291 -20.208 1.00 0.00 C ATOM 713 O ALA A 48 -19.496 -11.653 -20.414 1.00 0.00 O ATOM 714 CB ALA A 48 -18.685 -13.277 -22.496 1.00 0.00 C ATOM 0 H ALA A 48 -17.762 -15.456 -20.585 1.00 0.00 H new ATOM 0 HA ALA A 48 -16.984 -13.453 -21.210 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -18.374 -12.320 -22.914 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -18.350 -14.084 -23.148 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.772 -13.302 -22.416 1.00 0.00 H new ATOM 720 N ASP A 49 -17.635 -12.023 -19.205 1.00 0.00 N ATOM 721 CA ASP A 49 -17.896 -10.938 -18.267 1.00 0.00 C ATOM 722 C ASP A 49 -16.747 -9.935 -18.261 1.00 0.00 C ATOM 723 O ASP A 49 -16.753 -8.974 -17.493 1.00 0.00 O ATOM 724 CB ASP A 49 -18.111 -11.494 -16.858 1.00 0.00 C ATOM 725 CG ASP A 49 -19.486 -11.168 -16.310 1.00 0.00 C ATOM 726 OD1 ASP A 49 -20.009 -10.081 -16.630 1.00 0.00 O ATOM 727 OD2 ASP A 49 -20.040 -12.001 -15.561 1.00 0.00 O ATOM 0 H ASP A 49 -16.777 -12.542 -19.021 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.801 -10.423 -18.589 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.976 -12.576 -16.873 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.351 -11.087 -16.190 1.00 0.00 H new ATOM 732 N GLU A 50 -15.761 -10.168 -19.122 1.00 0.00 N ATOM 733 CA GLU A 50 -14.604 -9.286 -19.214 1.00 0.00 C ATOM 734 C GLU A 50 -13.945 -9.108 -17.849 1.00 0.00 C ATOM 735 O GLU A 50 -14.477 -8.423 -16.975 1.00 0.00 O ATOM 736 CB GLU A 50 -15.017 -7.923 -19.774 1.00 0.00 C ATOM 737 CG GLU A 50 -15.367 -7.954 -21.253 1.00 0.00 C ATOM 738 CD GLU A 50 -16.546 -7.063 -21.591 1.00 0.00 C ATOM 739 OE1 GLU A 50 -16.457 -5.841 -21.347 1.00 0.00 O ATOM 740 OE2 GLU A 50 -17.558 -7.587 -22.101 1.00 0.00 O ATOM 0 H GLU A 50 -15.741 -10.960 -19.765 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.882 -9.745 -19.890 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.876 -7.554 -19.213 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.205 -7.213 -19.616 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.500 -7.640 -21.835 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.594 -8.979 -21.548 1.00 0.00 H new ATOM 747 N VAL A 51 -12.784 -9.731 -17.673 1.00 0.00 N ATOM 748 CA VAL A 51 -12.051 -9.642 -16.416 1.00 0.00 C ATOM 749 C VAL A 51 -10.619 -9.172 -16.646 1.00 0.00 C ATOM 750 O VAL A 51 -10.096 -9.265 -17.756 1.00 0.00 O ATOM 751 CB VAL A 51 -12.024 -10.998 -15.685 1.00 0.00 C ATOM 752 CG1 VAL A 51 -13.437 -11.461 -15.366 1.00 0.00 C ATOM 753 CG2 VAL A 51 -11.289 -12.037 -16.518 1.00 0.00 C ATOM 0 H VAL A 51 -12.331 -10.303 -18.386 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.574 -8.914 -15.796 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.487 -10.874 -14.744 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.398 -12.420 -14.850 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.926 -10.725 -14.727 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -14.002 -11.570 -16.292 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.279 -12.989 -15.987 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.796 -12.161 -17.475 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.264 -11.707 -16.690 1.00 0.00 H new ATOM 763 N GLU A 52 -9.991 -8.667 -15.589 1.00 0.00 N ATOM 764 CA GLU A 52 -8.619 -8.182 -15.677 1.00 0.00 C ATOM 765 C GLU A 52 -7.697 -8.989 -14.767 1.00 0.00 C ATOM 766 O GLU A 52 -7.963 -9.144 -13.575 1.00 0.00 O ATOM 767 CB GLU A 52 -8.553 -6.700 -15.302 1.00 0.00 C ATOM 768 CG GLU A 52 -7.220 -6.048 -15.630 1.00 0.00 C ATOM 769 CD GLU A 52 -7.380 -4.726 -16.355 1.00 0.00 C ATOM 770 OE1 GLU A 52 -8.049 -3.825 -15.808 1.00 0.00 O ATOM 771 OE2 GLU A 52 -6.836 -4.593 -17.471 1.00 0.00 O ATOM 0 H GLU A 52 -10.410 -8.583 -14.663 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.283 -8.304 -16.707 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.347 -6.166 -15.824 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.746 -6.595 -14.234 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.662 -5.887 -14.708 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.630 -6.727 -16.246 1.00 0.00 H new ATOM 778 N PHE A 53 -6.612 -9.502 -15.338 1.00 0.00 N ATOM 779 CA PHE A 53 -5.651 -10.294 -14.580 1.00 0.00 C ATOM 780 C PHE A 53 -4.221 -9.895 -14.929 1.00 0.00 C ATOM 781 O PHE A 53 -3.971 -9.278 -15.965 1.00 0.00 O ATOM 782 CB PHE A 53 -5.858 -11.785 -14.855 1.00 0.00 C ATOM 783 CG PHE A 53 -6.374 -12.074 -16.235 1.00 0.00 C ATOM 784 CD1 PHE A 53 -5.572 -11.868 -17.346 1.00 0.00 C ATOM 785 CD2 PHE A 53 -7.661 -12.552 -16.422 1.00 0.00 C ATOM 786 CE1 PHE A 53 -6.044 -12.133 -18.618 1.00 0.00 C ATOM 787 CE2 PHE A 53 -8.138 -12.819 -17.691 1.00 0.00 C ATOM 788 CZ PHE A 53 -7.329 -12.608 -18.791 1.00 0.00 C ATOM 0 H PHE A 53 -6.377 -9.383 -16.323 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.814 -10.100 -13.520 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.912 -12.307 -14.713 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.558 -12.188 -14.122 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.566 -11.496 -17.217 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.299 -12.718 -15.566 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.408 -11.969 -19.476 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.143 -13.192 -17.823 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.701 -12.814 -19.784 1.00 0.00 H new ATOM 798 N THR A 54 -3.283 -10.250 -14.056 1.00 0.00 N ATOM 799 CA THR A 54 -1.878 -9.928 -14.269 1.00 0.00 C ATOM 800 C THR A 54 -1.196 -10.986 -15.129 1.00 0.00 C ATOM 801 O THR A 54 -0.454 -10.662 -16.057 1.00 0.00 O ATOM 802 CB THR A 54 -1.121 -9.802 -12.934 1.00 0.00 C ATOM 803 OG1 THR A 54 -1.742 -8.810 -12.110 1.00 0.00 O ATOM 804 CG2 THR A 54 0.336 -9.433 -13.170 1.00 0.00 C ATOM 0 H THR A 54 -3.472 -10.761 -13.194 1.00 0.00 H new ATOM 0 HA THR A 54 -1.849 -8.969 -14.786 1.00 0.00 H new ATOM 0 HB THR A 54 -1.157 -10.767 -12.429 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.255 -8.737 -11.262 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.850 -9.350 -12.212 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.814 -10.205 -13.772 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.389 -8.479 -13.695 1.00 0.00 H new ATOM 968 N ASN A 65 1.638 -20.354 -17.241 1.00 0.00 N ATOM 969 CA ASN A 65 1.022 -19.036 -17.132 1.00 0.00 C ATOM 970 C ASN A 65 -0.413 -19.147 -16.625 1.00 0.00 C ATOM 971 O ASN A 65 -1.232 -19.866 -17.199 1.00 0.00 O ATOM 972 CB ASN A 65 1.042 -18.327 -18.488 1.00 0.00 C ATOM 973 CG ASN A 65 0.378 -19.145 -19.578 1.00 0.00 C ATOM 974 OD1 ASN A 65 -0.151 -18.465 -20.589 1.00 0.00 O flip ATOM 975 ND2 ASN A 65 0.341 -20.374 -19.513 1.00 0.00 N flip ATOM 0 HA ASN A 65 1.598 -18.451 -16.415 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.536 -17.366 -18.400 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.074 -18.119 -18.771 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.760 -20.855 -18.718 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.109 -20.911 -20.255 1.00 0.00 H new ATOM 982 N HIS A 66 -0.711 -18.429 -15.547 1.00 0.00 N ATOM 983 CA HIS A 66 -2.047 -18.446 -14.963 1.00 0.00 C ATOM 984 C HIS A 66 -2.466 -17.045 -14.524 1.00 0.00 C ATOM 985 O HIS A 66 -1.626 -16.219 -14.168 1.00 0.00 O ATOM 986 CB HIS A 66 -2.094 -19.402 -13.770 1.00 0.00 C ATOM 987 CG HIS A 66 -1.341 -18.905 -12.574 1.00 0.00 C ATOM 988 ND1 HIS A 66 -0.355 -17.984 -12.469 1.00 0.00 N flip ATOM 989 CD2 HIS A 66 -1.571 -19.366 -11.295 1.00 0.00 C flip ATOM 990 CE1 HIS A 66 -0.012 -17.904 -11.142 1.00 0.00 C flip ATOM 991 NE2 HIS A 66 -0.761 -18.748 -10.455 1.00 0.00 N flip ATOM 0 H HIS A 66 -0.046 -17.828 -15.060 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.745 -18.793 -15.725 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.134 -19.570 -13.490 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.685 -20.366 -14.071 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.300 -20.115 -11.023 1.00 0.00 H new ATOM 0 HE1 HIS A 66 0.747 -17.257 -10.727 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -0.720 -18.897 -9.447 1.00 0.00 H new ATOM 999 N ALA A 67 -3.769 -16.786 -14.553 1.00 0.00 N ATOM 1000 CA ALA A 67 -4.298 -15.487 -14.158 1.00 0.00 C ATOM 1001 C ALA A 67 -4.524 -15.422 -12.651 1.00 0.00 C ATOM 1002 O ALA A 67 -5.154 -16.306 -12.070 1.00 0.00 O ATOM 1003 CB ALA A 67 -5.594 -15.196 -14.901 1.00 0.00 C ATOM 0 H ALA A 67 -4.478 -17.459 -14.846 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.562 -14.727 -14.422 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.978 -14.222 -14.596 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.405 -15.191 -15.974 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.329 -15.966 -14.666 1.00 0.00 H new ATOM 1009 N ILE A 68 -4.005 -14.371 -12.025 1.00 0.00 N ATOM 1010 CA ILE A 68 -4.151 -14.192 -10.585 1.00 0.00 C ATOM 1011 C ILE A 68 -5.032 -12.988 -10.268 1.00 0.00 C ATOM 1012 O ILE A 68 -5.270 -12.137 -11.125 1.00 0.00 O ATOM 1013 CB ILE A 68 -2.785 -14.008 -9.899 1.00 0.00 C ATOM 1014 CG1 ILE A 68 -2.011 -12.861 -10.553 1.00 0.00 C ATOM 1015 CG2 ILE A 68 -1.982 -15.299 -9.963 1.00 0.00 C ATOM 1016 CD1 ILE A 68 -0.838 -12.378 -9.730 1.00 0.00 C ATOM 0 H ILE A 68 -3.480 -13.631 -12.491 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.622 -15.097 -10.201 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.952 -13.758 -8.851 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.650 -13.187 -11.529 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.691 -12.027 -10.726 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.019 -15.153 -9.474 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.530 -16.094 -9.456 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.822 -15.576 -11.005 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.336 -11.565 -10.254 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.194 -12.021 -8.763 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.137 -13.199 -9.578 1.00 0.00 H new ATOM 1028 N ARG A 69 -5.513 -12.924 -9.031 1.00 0.00 N ATOM 1029 CA ARG A 69 -6.368 -11.824 -8.600 1.00 0.00 C ATOM 1030 C ARG A 69 -7.371 -11.455 -9.689 1.00 0.00 C ATOM 1031 O ARG A 69 -7.329 -10.354 -10.238 1.00 0.00 O ATOM 1032 CB ARG A 69 -5.520 -10.603 -8.238 1.00 0.00 C ATOM 1033 CG ARG A 69 -4.381 -10.915 -7.280 1.00 0.00 C ATOM 1034 CD ARG A 69 -4.859 -10.942 -5.837 1.00 0.00 C ATOM 1035 NE ARG A 69 -3.995 -10.156 -4.960 1.00 0.00 N ATOM 1036 CZ ARG A 69 -4.349 -9.762 -3.742 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -5.542 -10.079 -3.259 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -3.508 -9.049 -3.004 1.00 0.00 N ATOM 0 H ARG A 69 -5.325 -13.620 -8.310 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.919 -12.150 -7.718 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.108 -10.173 -9.151 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.162 -9.845 -7.791 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.942 -11.879 -7.537 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.596 -10.167 -7.390 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.877 -10.555 -5.785 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.891 -11.973 -5.485 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.070 -9.896 -5.301 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.191 -10.627 -3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.811 -9.775 -2.323 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.589 -8.803 -3.372 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.780 -8.747 -2.069 1.00 0.00 H new ATOM 1052 N ILE A 70 -8.270 -12.384 -9.997 1.00 0.00 N ATOM 1053 CA ILE A 70 -9.283 -12.156 -11.020 1.00 0.00 C ATOM 1054 C ILE A 70 -10.299 -11.114 -10.565 1.00 0.00 C ATOM 1055 O ILE A 70 -10.964 -11.283 -9.543 1.00 0.00 O ATOM 1056 CB ILE A 70 -10.025 -13.457 -11.378 1.00 0.00 C ATOM 1057 CG1 ILE A 70 -9.106 -14.394 -12.166 1.00 0.00 C ATOM 1058 CG2 ILE A 70 -11.283 -13.148 -12.174 1.00 0.00 C ATOM 1059 CD1 ILE A 70 -9.646 -15.800 -12.298 1.00 0.00 C ATOM 0 H ILE A 70 -8.317 -13.301 -9.553 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.761 -11.790 -11.904 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.317 -13.957 -10.454 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.946 -13.980 -13.162 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.133 -14.432 -11.676 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.796 -14.078 -12.419 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.943 -12.515 -11.580 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.013 -12.629 -13.094 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.943 -16.408 -12.868 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.780 -16.233 -11.307 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.605 -15.774 -12.815 1.00 0.00 H new ATOM 1071 N LYS A 71 -10.415 -10.035 -11.332 1.00 0.00 N ATOM 1072 CA LYS A 71 -11.353 -8.965 -11.011 1.00 0.00 C ATOM 1073 C LYS A 71 -12.200 -8.601 -12.226 1.00 0.00 C ATOM 1074 O LYS A 71 -11.674 -8.363 -13.314 1.00 0.00 O ATOM 1075 CB LYS A 71 -10.598 -7.730 -10.514 1.00 0.00 C ATOM 1076 CG LYS A 71 -11.373 -6.914 -9.493 1.00 0.00 C ATOM 1077 CD LYS A 71 -11.764 -5.555 -10.048 1.00 0.00 C ATOM 1078 CE LYS A 71 -10.900 -4.446 -9.467 1.00 0.00 C ATOM 1079 NZ LYS A 71 -10.476 -3.469 -10.508 1.00 0.00 N ATOM 0 H LYS A 71 -9.871 -9.878 -12.180 1.00 0.00 H new ATOM 0 HA LYS A 71 -12.016 -9.321 -10.222 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.653 -8.046 -10.073 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.356 -7.095 -11.366 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.269 -7.458 -9.195 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.768 -6.782 -8.596 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.667 -5.563 -11.134 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.812 -5.357 -9.823 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.454 -3.926 -8.685 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.018 -4.881 -8.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.889 -2.729 -10.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.926 -3.960 -11.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.317 -3.034 -10.939 1.00 0.00 H new ATOM 1093 N LYS A 72 -13.514 -8.557 -12.034 1.00 0.00 N ATOM 1094 CA LYS A 72 -14.434 -8.219 -13.113 1.00 0.00 C ATOM 1095 C LYS A 72 -14.371 -6.729 -13.436 1.00 0.00 C ATOM 1096 O LYS A 72 -14.275 -5.893 -12.537 1.00 0.00 O ATOM 1097 CB LYS A 72 -15.864 -8.609 -12.733 1.00 0.00 C ATOM 1098 CG LYS A 72 -16.647 -9.237 -13.873 1.00 0.00 C ATOM 1099 CD LYS A 72 -17.631 -10.279 -13.367 1.00 0.00 C ATOM 1100 CE LYS A 72 -19.060 -9.759 -13.400 1.00 0.00 C ATOM 1101 NZ LYS A 72 -19.508 -9.282 -12.062 1.00 0.00 N ATOM 0 H LYS A 72 -13.966 -8.751 -11.140 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.135 -8.778 -14.000 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.831 -9.308 -11.898 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.393 -7.722 -12.385 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.185 -8.461 -14.417 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.957 -9.700 -14.578 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.556 -11.179 -13.978 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.370 -10.563 -12.348 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -19.133 -8.943 -14.119 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.726 -10.550 -13.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.487 -8.936 -12.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.463 -10.066 -11.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.888 -8.510 -11.743 1.00 0.00 H new ATOM 1115 N LEU A 73 -14.427 -6.404 -14.722 1.00 0.00 N ATOM 1116 CA LEU A 73 -14.378 -5.014 -15.163 1.00 0.00 C ATOM 1117 C LEU A 73 -15.753 -4.539 -15.621 1.00 0.00 C ATOM 1118 O LEU A 73 -16.533 -5.290 -16.207 1.00 0.00 O ATOM 1119 CB LEU A 73 -13.366 -4.855 -16.300 1.00 0.00 C ATOM 1120 CG LEU A 73 -11.899 -5.070 -15.927 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -11.037 -5.151 -17.178 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -11.411 -3.956 -15.013 1.00 0.00 C ATOM 0 H LEU A 73 -14.506 -7.084 -15.478 1.00 0.00 H new ATOM 0 HA LEU A 73 -14.066 -4.401 -14.318 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.626 -5.558 -17.092 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.471 -3.853 -16.716 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.816 -6.015 -15.390 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.996 -5.304 -16.893 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.370 -5.984 -17.796 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.126 -4.222 -17.742 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.365 -4.126 -14.758 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.509 -2.998 -15.523 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.009 -3.945 -14.102 1.00 0.00 H new ATOM 1134 N PRO A 74 -16.059 -3.262 -15.349 1.00 0.00 N ATOM 1135 CA PRO A 74 -17.339 -2.657 -15.727 1.00 0.00 C ATOM 1136 C PRO A 74 -17.470 -2.470 -17.234 1.00 0.00 C ATOM 1137 O PRO A 74 -16.498 -2.617 -17.976 1.00 0.00 O ATOM 1138 CB PRO A 74 -17.312 -1.299 -15.020 1.00 0.00 C ATOM 1139 CG PRO A 74 -15.865 -0.987 -14.854 1.00 0.00 C ATOM 1140 CD PRO A 74 -15.177 -2.309 -14.653 1.00 0.00 C ATOM 0 HA PRO A 74 -18.185 -3.284 -15.444 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -17.816 -0.535 -15.611 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -17.820 -1.344 -14.057 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.473 -0.473 -15.732 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.703 -0.329 -14.000 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.173 -2.308 -15.077 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.077 -2.553 -13.595 1.00 0.00 H new ATOM 1148 N LYS A 75 -18.678 -2.145 -17.683 1.00 0.00 N ATOM 1149 CA LYS A 75 -18.937 -1.936 -19.103 1.00 0.00 C ATOM 1150 C LYS A 75 -18.218 -0.690 -19.609 1.00 0.00 C ATOM 1151 O LYS A 75 -17.918 0.221 -18.840 1.00 0.00 O ATOM 1152 CB LYS A 75 -20.441 -1.808 -19.354 1.00 0.00 C ATOM 1153 CG LYS A 75 -21.055 -3.033 -20.010 1.00 0.00 C ATOM 1154 CD LYS A 75 -21.627 -3.990 -18.978 1.00 0.00 C ATOM 1155 CE LYS A 75 -20.779 -5.247 -18.854 1.00 0.00 C ATOM 1156 NZ LYS A 75 -21.479 -6.444 -19.398 1.00 0.00 N ATOM 0 H LYS A 75 -19.494 -2.021 -17.083 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.556 -2.800 -19.648 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -20.945 -1.624 -18.405 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -20.623 -0.938 -19.986 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -21.843 -2.723 -20.696 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.299 -3.546 -20.604 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.685 -3.492 -18.010 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -22.645 -4.262 -19.257 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.838 -5.104 -19.385 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -20.531 -5.416 -17.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.869 -7.280 -19.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -22.365 -6.596 -18.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -21.693 -6.293 -20.405 1.00 0.00 H new ATOM 1170 N GLY A 76 -17.945 -0.657 -20.910 1.00 0.00 N ATOM 1171 CA GLY A 76 -17.265 0.482 -21.497 1.00 0.00 C ATOM 1172 C GLY A 76 -15.797 0.537 -21.123 1.00 0.00 C ATOM 1173 O GLY A 76 -15.322 1.538 -20.584 1.00 0.00 O ATOM 0 H GLY A 76 -18.183 -1.399 -21.568 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -17.359 0.438 -22.582 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -17.754 1.400 -21.172 1.00 0.00 H new ATOM 1177 N THR A 77 -15.075 -0.542 -21.407 1.00 0.00 N ATOM 1178 CA THR A 77 -13.653 -0.614 -21.094 1.00 0.00 C ATOM 1179 C THR A 77 -12.975 -1.734 -21.875 1.00 0.00 C ATOM 1180 O THR A 77 -11.971 -1.512 -22.553 1.00 0.00 O ATOM 1181 CB THR A 77 -13.420 -0.840 -19.588 1.00 0.00 C ATOM 1182 OG1 THR A 77 -14.087 0.177 -18.832 1.00 0.00 O ATOM 1183 CG2 THR A 77 -11.934 -0.829 -19.263 1.00 0.00 C ATOM 0 H THR A 77 -15.452 -1.378 -21.853 1.00 0.00 H new ATOM 0 HA THR A 77 -13.217 0.342 -21.382 1.00 0.00 H new ATOM 0 HB THR A 77 -13.826 -1.816 -19.322 1.00 0.00 H new ATOM 0 HG1 THR A 77 -14.263 0.950 -19.408 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.794 -0.990 -18.194 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.434 -1.623 -19.818 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.507 0.134 -19.543 1.00 0.00 H new ATOM 1191 N VAL A 78 -13.529 -2.939 -21.775 1.00 0.00 N ATOM 1192 CA VAL A 78 -12.977 -4.093 -22.474 1.00 0.00 C ATOM 1193 C VAL A 78 -13.613 -4.258 -23.851 1.00 0.00 C ATOM 1194 O VAL A 78 -14.711 -3.763 -24.102 1.00 0.00 O ATOM 1195 CB VAL A 78 -13.185 -5.389 -21.668 1.00 0.00 C ATOM 1196 CG1 VAL A 78 -12.422 -6.542 -22.303 1.00 0.00 C ATOM 1197 CG2 VAL A 78 -12.758 -5.190 -20.221 1.00 0.00 C ATOM 0 H VAL A 78 -14.359 -3.141 -21.217 1.00 0.00 H new ATOM 0 HA VAL A 78 -11.908 -3.912 -22.589 1.00 0.00 H new ATOM 0 HB VAL A 78 -14.246 -5.637 -21.680 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.581 -7.449 -21.720 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.779 -6.698 -23.321 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.358 -6.306 -22.324 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.912 -6.115 -19.666 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.703 -4.917 -20.187 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.353 -4.395 -19.772 1.00 0.00 H new