USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 569 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 60 GLN : amide:sc= -1.08 K(o=-2.3,f=-2.9) USER MOD Set 1.2: A 67 GLN : amide:sc= -1.26 K(o=-2.3,f=-6.7!) USER MOD Single : A 6 MET CE :methyl -117:sc= 0 (180deg=-1.42) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 17 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.261) USER MOD Single : A 19 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.038) USER MOD Single : A 20 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 25 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0105) USER MOD Single : A 28 HIS : no HD1:sc= -1.48 X(o=-1.5,f=-1.7) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.00035) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.202 K(o=-0.2,f=-1.7) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.0176 K(o=-0.018,f=-4.4!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -67:sc= 0.49 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 0.033 -2.798 -2.877 1.00 0.00 N ATOM 19 CA ASP A 2 -0.119 -3.935 -3.778 1.00 0.00 C ATOM 20 C ASP A 2 0.339 -3.576 -5.188 1.00 0.00 C ATOM 21 O ASP A 2 -0.366 -2.886 -5.924 1.00 0.00 O ATOM 22 CB ASP A 2 -1.575 -4.401 -3.805 1.00 0.00 C ATOM 23 CG ASP A 2 -2.024 -4.975 -2.475 1.00 0.00 C ATOM 24 OD1 ASP A 2 -2.494 -4.195 -1.620 1.00 0.00 O ATOM 25 OD2 ASP A 2 -1.906 -6.204 -2.289 1.00 0.00 O ATOM 0 HA ASP A 2 0.507 -4.747 -3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.217 -3.561 -4.070 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.698 -5.155 -4.583 1.00 0.00 H new ATOM 30 N ARG A 3 1.526 -4.048 -5.557 1.00 0.00 N ATOM 31 CA ARG A 3 2.079 -3.775 -6.878 1.00 0.00 C ATOM 32 C ARG A 3 2.253 -5.066 -7.672 1.00 0.00 C ATOM 33 O ARG A 3 2.975 -5.972 -7.253 1.00 0.00 O ATOM 34 CB ARG A 3 3.423 -3.056 -6.752 1.00 0.00 C ATOM 35 CG ARG A 3 3.354 -1.771 -5.942 1.00 0.00 C ATOM 36 CD ARG A 3 3.173 -0.557 -6.839 1.00 0.00 C ATOM 37 NE ARG A 3 3.764 0.646 -6.258 1.00 0.00 N ATOM 38 CZ ARG A 3 3.823 1.814 -6.887 1.00 0.00 C ATOM 39 NH1 ARG A 3 3.329 1.936 -8.111 1.00 0.00 N ATOM 40 NH2 ARG A 3 4.376 2.863 -6.292 1.00 0.00 N ATOM 0 H ARG A 3 2.122 -4.621 -4.960 1.00 0.00 H new ATOM 0 HA ARG A 3 1.379 -3.132 -7.412 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.143 -3.730 -6.288 1.00 0.00 H new ATOM 0 HB3 ARG A 3 3.798 -2.827 -7.750 1.00 0.00 H new ATOM 0 HG2 ARG A 3 2.526 -1.829 -5.235 1.00 0.00 H new ATOM 0 HG3 ARG A 3 4.266 -1.659 -5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 3 3.629 -0.752 -7.810 1.00 0.00 H new ATOM 0 HD3 ARG A 3 2.110 -0.391 -7.014 1.00 0.00 H new ATOM 0 HE ARG A 3 4.153 0.585 -5.317 1.00 0.00 H new ATOM 0 HH11 ARG A 3 2.903 1.132 -8.571 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.375 2.834 -8.592 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.757 2.773 -5.350 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.421 3.759 -6.777 1.00 0.00 H new ATOM 54 N ILE A 4 1.587 -5.144 -8.819 1.00 0.00 N ATOM 55 CA ILE A 4 1.669 -6.323 -9.671 1.00 0.00 C ATOM 56 C ILE A 4 2.776 -6.175 -10.710 1.00 0.00 C ATOM 57 O ILE A 4 2.945 -5.111 -11.306 1.00 0.00 O ATOM 58 CB ILE A 4 0.335 -6.590 -10.394 1.00 0.00 C ATOM 59 CG1 ILE A 4 -0.780 -6.837 -9.376 1.00 0.00 C ATOM 60 CG2 ILE A 4 0.471 -7.776 -11.337 1.00 0.00 C ATOM 61 CD1 ILE A 4 -1.901 -5.824 -9.449 1.00 0.00 C ATOM 0 H ILE A 4 0.984 -4.404 -9.180 1.00 0.00 H new ATOM 0 HA ILE A 4 1.895 -7.167 -9.020 1.00 0.00 H new ATOM 0 HB ILE A 4 0.076 -5.711 -10.984 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.191 -7.834 -9.535 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.354 -6.824 -8.373 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.480 -7.952 -11.840 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.241 -7.564 -12.079 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.750 -8.663 -10.768 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.655 -6.062 -8.699 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.503 -4.827 -9.260 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.353 -5.853 -10.440 1.00 0.00 H new ATOM 73 N PHE A 5 3.527 -7.251 -10.924 1.00 0.00 N ATOM 74 CA PHE A 5 4.617 -7.242 -11.892 1.00 0.00 C ATOM 75 C PHE A 5 4.398 -8.300 -12.969 1.00 0.00 C ATOM 76 O PHE A 5 4.088 -9.452 -12.667 1.00 0.00 O ATOM 77 CB PHE A 5 5.954 -7.484 -11.188 1.00 0.00 C ATOM 78 CG PHE A 5 6.068 -8.848 -10.570 1.00 0.00 C ATOM 79 CD1 PHE A 5 5.477 -9.119 -9.346 1.00 0.00 C ATOM 80 CD2 PHE A 5 6.764 -9.858 -11.212 1.00 0.00 C ATOM 81 CE1 PHE A 5 5.581 -10.373 -8.774 1.00 0.00 C ATOM 82 CE2 PHE A 5 6.871 -11.115 -10.646 1.00 0.00 C ATOM 83 CZ PHE A 5 6.278 -11.372 -9.425 1.00 0.00 C ATOM 0 H PHE A 5 3.400 -8.140 -10.440 1.00 0.00 H new ATOM 0 HA PHE A 5 4.637 -6.262 -12.369 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.763 -7.351 -11.906 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.089 -6.730 -10.412 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.929 -8.342 -8.834 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.229 -9.662 -12.167 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.118 -10.571 -7.819 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.417 -11.894 -11.157 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.359 -12.353 -8.980 1.00 0.00 H new ATOM 93 N MET A 6 4.559 -7.899 -14.226 1.00 0.00 N ATOM 94 CA MET A 6 4.380 -8.813 -15.348 1.00 0.00 C ATOM 95 C MET A 6 5.241 -8.393 -16.535 1.00 0.00 C ATOM 96 O MET A 6 5.567 -7.216 -16.693 1.00 0.00 O ATOM 97 CB MET A 6 2.908 -8.862 -15.763 1.00 0.00 C ATOM 98 CG MET A 6 2.092 -9.885 -14.989 1.00 0.00 C ATOM 99 SD MET A 6 0.345 -9.861 -15.434 1.00 0.00 S ATOM 100 CE MET A 6 -0.150 -11.514 -14.955 1.00 0.00 C ATOM 0 H MET A 6 4.813 -6.948 -14.493 1.00 0.00 H new ATOM 0 HA MET A 6 4.694 -9.807 -15.028 1.00 0.00 H new ATOM 0 HB2 MET A 6 2.466 -7.875 -15.622 1.00 0.00 H new ATOM 0 HB3 MET A 6 2.846 -9.090 -16.827 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.496 -10.881 -15.173 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.194 -9.692 -13.921 1.00 0.00 H new ATOM 0 HE1 MET A 6 -0.477 -12.066 -15.836 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.695 -12.029 -14.497 1.00 0.00 H new ATOM 0 HE3 MET A 6 -0.970 -11.455 -14.239 1.00 0.00 H new ATOM 110 N THR A 7 5.606 -9.362 -17.368 1.00 0.00 N ATOM 111 CA THR A 7 6.431 -9.093 -18.539 1.00 0.00 C ATOM 112 C THR A 7 5.587 -8.574 -19.698 1.00 0.00 C ATOM 113 O THR A 7 4.370 -8.431 -19.576 1.00 0.00 O ATOM 114 CB THR A 7 7.188 -10.354 -18.995 1.00 0.00 C ATOM 115 OG1 THR A 7 6.654 -11.510 -18.341 1.00 0.00 O ATOM 116 CG2 THR A 7 8.674 -10.233 -18.689 1.00 0.00 C ATOM 0 H THR A 7 5.343 -10.341 -17.253 1.00 0.00 H new ATOM 0 HA THR A 7 7.153 -8.330 -18.248 1.00 0.00 H new ATOM 0 HB THR A 7 7.062 -10.457 -20.073 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.140 -12.308 -18.638 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.188 -11.135 -19.020 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.084 -9.369 -19.212 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.815 -10.108 -17.615 1.00 0.00 H new ATOM 124 N ARG A 8 6.240 -8.295 -20.821 1.00 0.00 N ATOM 125 CA ARG A 8 5.549 -7.791 -22.002 1.00 0.00 C ATOM 126 C ARG A 8 4.364 -8.684 -22.360 1.00 0.00 C ATOM 127 O ARG A 8 3.259 -8.200 -22.604 1.00 0.00 O ATOM 128 CB ARG A 8 6.514 -7.706 -23.186 1.00 0.00 C ATOM 129 CG ARG A 8 7.287 -8.991 -23.435 1.00 0.00 C ATOM 130 CD ARG A 8 8.383 -8.789 -24.470 1.00 0.00 C ATOM 131 NE ARG A 8 9.653 -8.412 -23.856 1.00 0.00 N ATOM 132 CZ ARG A 8 10.694 -7.955 -24.543 1.00 0.00 C ATOM 133 NH1 ARG A 8 10.616 -7.818 -25.859 1.00 0.00 N ATOM 134 NH2 ARG A 8 11.816 -7.632 -23.912 1.00 0.00 N ATOM 0 H ARG A 8 7.247 -8.409 -20.938 1.00 0.00 H new ATOM 0 HA ARG A 8 5.174 -6.793 -21.775 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.952 -7.450 -24.084 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.221 -6.895 -23.010 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.727 -9.339 -22.501 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.603 -9.769 -23.775 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.515 -9.708 -25.042 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.078 -8.016 -25.175 1.00 0.00 H new ATOM 0 HE ARG A 8 9.746 -8.505 -22.844 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.755 -8.064 -26.347 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.417 -7.467 -26.384 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.879 -7.735 -22.899 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.615 -7.281 -24.440 1.00 0.00 H new ATOM 148 N THR A 9 4.603 -9.992 -22.391 1.00 0.00 N ATOM 149 CA THR A 9 3.558 -10.952 -22.721 1.00 0.00 C ATOM 150 C THR A 9 2.488 -10.995 -21.636 1.00 0.00 C ATOM 151 O THR A 9 1.296 -10.896 -21.923 1.00 0.00 O ATOM 152 CB THR A 9 4.135 -12.367 -22.914 1.00 0.00 C ATOM 153 OG1 THR A 9 5.478 -12.286 -23.405 1.00 0.00 O ATOM 154 CG2 THR A 9 3.283 -13.172 -23.883 1.00 0.00 C ATOM 0 H THR A 9 5.512 -10.410 -22.191 1.00 0.00 H new ATOM 0 HA THR A 9 3.109 -10.620 -23.657 1.00 0.00 H new ATOM 0 HB THR A 9 4.132 -12.871 -21.948 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.838 -13.190 -23.523 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.711 -14.167 -24.003 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.269 -13.257 -23.492 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.258 -12.669 -24.850 1.00 0.00 H new ATOM 162 N GLU A 10 2.923 -11.143 -20.388 1.00 0.00 N ATOM 163 CA GLU A 10 2.001 -11.199 -19.260 1.00 0.00 C ATOM 164 C GLU A 10 1.187 -9.912 -19.159 1.00 0.00 C ATOM 165 O GLU A 10 0.133 -9.881 -18.524 1.00 0.00 O ATOM 166 CB GLU A 10 2.768 -11.434 -17.957 1.00 0.00 C ATOM 167 CG GLU A 10 3.445 -12.793 -17.887 1.00 0.00 C ATOM 168 CD GLU A 10 2.452 -13.934 -17.779 1.00 0.00 C ATOM 169 OE1 GLU A 10 1.527 -13.839 -16.946 1.00 0.00 O ATOM 170 OE2 GLU A 10 2.601 -14.922 -18.528 1.00 0.00 O ATOM 0 H GLU A 10 3.907 -11.226 -20.133 1.00 0.00 H new ATOM 0 HA GLU A 10 1.316 -12.030 -19.424 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.522 -10.655 -17.843 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.080 -11.336 -17.117 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.060 -12.935 -18.776 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.115 -12.817 -17.028 1.00 0.00 H new ATOM 177 N ALA A 11 1.684 -8.853 -19.788 1.00 0.00 N ATOM 178 CA ALA A 11 1.003 -7.564 -19.770 1.00 0.00 C ATOM 179 C ALA A 11 -0.464 -7.713 -20.157 1.00 0.00 C ATOM 180 O ALA A 11 -1.310 -6.920 -19.741 1.00 0.00 O ATOM 181 CB ALA A 11 1.701 -6.586 -20.704 1.00 0.00 C ATOM 0 H ALA A 11 2.556 -8.862 -20.317 1.00 0.00 H new ATOM 0 HA ALA A 11 1.045 -7.172 -18.754 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.182 -5.628 -20.681 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.733 -6.448 -20.381 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.688 -6.981 -21.720 1.00 0.00 H new ATOM 187 N LEU A 12 -0.760 -8.733 -20.956 1.00 0.00 N ATOM 188 CA LEU A 12 -2.126 -8.985 -21.401 1.00 0.00 C ATOM 189 C LEU A 12 -3.092 -8.983 -20.220 1.00 0.00 C ATOM 190 O LEU A 12 -4.178 -8.410 -20.296 1.00 0.00 O ATOM 191 CB LEU A 12 -2.204 -10.324 -22.136 1.00 0.00 C ATOM 192 CG LEU A 12 -1.811 -11.560 -21.325 1.00 0.00 C ATOM 193 CD1 LEU A 12 -3.041 -12.207 -20.707 1.00 0.00 C ATOM 194 CD2 LEU A 12 -1.064 -12.556 -22.199 1.00 0.00 C ATOM 0 H LEU A 12 -0.072 -9.399 -21.309 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.414 -8.185 -22.083 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.224 -10.459 -22.495 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.561 -10.271 -23.015 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.148 -11.246 -20.519 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.741 -13.085 -20.134 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.534 -11.494 -20.047 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.730 -12.507 -21.497 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.792 -13.429 -21.605 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.703 -12.865 -23.027 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.161 -12.089 -22.592 1.00 0.00 H new ATOM 206 N GLU A 13 -2.686 -9.625 -19.129 1.00 0.00 N ATOM 207 CA GLU A 13 -3.516 -9.695 -17.932 1.00 0.00 C ATOM 208 C GLU A 13 -3.801 -8.299 -17.385 1.00 0.00 C ATOM 209 O GLU A 13 -4.892 -8.028 -16.883 1.00 0.00 O ATOM 210 CB GLU A 13 -2.832 -10.545 -16.859 1.00 0.00 C ATOM 211 CG GLU A 13 -3.785 -11.459 -16.108 1.00 0.00 C ATOM 212 CD GLU A 13 -4.109 -12.725 -16.878 1.00 0.00 C ATOM 213 OE1 GLU A 13 -3.176 -13.510 -17.150 1.00 0.00 O ATOM 214 OE2 GLU A 13 -5.295 -12.930 -17.210 1.00 0.00 O ATOM 0 H GLU A 13 -1.789 -10.103 -19.049 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.463 -10.160 -18.205 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.055 -11.150 -17.327 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.337 -9.886 -16.146 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.345 -11.725 -15.147 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.709 -10.920 -15.897 1.00 0.00 H new ATOM 221 N PHE A 14 -2.813 -7.417 -17.487 1.00 0.00 N ATOM 222 CA PHE A 14 -2.956 -6.050 -17.002 1.00 0.00 C ATOM 223 C PHE A 14 -3.942 -5.267 -17.864 1.00 0.00 C ATOM 224 O PHE A 14 -4.831 -4.587 -17.349 1.00 0.00 O ATOM 225 CB PHE A 14 -1.598 -5.345 -16.992 1.00 0.00 C ATOM 226 CG PHE A 14 -1.694 -3.860 -16.788 1.00 0.00 C ATOM 227 CD1 PHE A 14 -2.575 -3.331 -15.858 1.00 0.00 C ATOM 228 CD2 PHE A 14 -0.904 -2.993 -17.525 1.00 0.00 C ATOM 229 CE1 PHE A 14 -2.667 -1.965 -15.669 1.00 0.00 C ATOM 230 CE2 PHE A 14 -0.991 -1.626 -17.339 1.00 0.00 C ATOM 231 CZ PHE A 14 -1.873 -1.112 -16.409 1.00 0.00 C ATOM 0 H PHE A 14 -1.904 -7.625 -17.901 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.344 -6.091 -15.984 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.981 -5.773 -16.202 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.089 -5.542 -17.935 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.197 -3.994 -15.274 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.212 -3.390 -18.253 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.359 -1.565 -14.943 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.370 -0.961 -17.920 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.941 -0.044 -16.261 1.00 0.00 H new ATOM 241 N LEU A 15 -3.778 -5.367 -19.178 1.00 0.00 N ATOM 242 CA LEU A 15 -4.653 -4.669 -20.114 1.00 0.00 C ATOM 243 C LEU A 15 -6.086 -5.180 -20.005 1.00 0.00 C ATOM 244 O LEU A 15 -7.041 -4.427 -20.196 1.00 0.00 O ATOM 245 CB LEU A 15 -4.144 -4.843 -21.546 1.00 0.00 C ATOM 246 CG LEU A 15 -2.712 -4.379 -21.811 1.00 0.00 C ATOM 247 CD1 LEU A 15 -2.143 -5.075 -23.037 1.00 0.00 C ATOM 248 CD2 LEU A 15 -2.665 -2.867 -21.984 1.00 0.00 C ATOM 0 H LEU A 15 -3.047 -5.925 -19.620 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.645 -3.609 -19.859 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.217 -5.898 -21.811 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.810 -4.299 -22.216 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.099 -4.646 -20.950 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.123 -4.732 -23.210 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.141 -6.153 -22.875 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.757 -4.840 -23.906 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.638 -2.554 -22.172 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.293 -2.578 -22.827 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.031 -2.385 -21.077 1.00 0.00 H new ATOM 260 N LEU A 16 -6.228 -6.464 -19.694 1.00 0.00 N ATOM 261 CA LEU A 16 -7.545 -7.076 -19.557 1.00 0.00 C ATOM 262 C LEU A 16 -8.166 -6.735 -18.206 1.00 0.00 C ATOM 263 O LEU A 16 -9.318 -6.306 -18.131 1.00 0.00 O ATOM 264 CB LEU A 16 -7.442 -8.594 -19.715 1.00 0.00 C ATOM 265 CG LEU A 16 -8.700 -9.303 -20.218 1.00 0.00 C ATOM 266 CD1 LEU A 16 -8.367 -10.709 -20.692 1.00 0.00 C ATOM 267 CD2 LEU A 16 -9.761 -9.343 -19.128 1.00 0.00 C ATOM 0 H LEU A 16 -5.448 -7.101 -19.532 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.187 -6.678 -20.342 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.626 -8.813 -20.403 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.169 -9.022 -18.750 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.097 -8.741 -21.064 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.274 -11.198 -21.046 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.642 -10.657 -21.504 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.945 -11.281 -19.866 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.649 -9.851 -19.503 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.374 -9.881 -18.263 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.021 -8.326 -18.836 1.00 0.00 H new ATOM 279 N LYS A 17 -7.395 -6.926 -17.141 1.00 0.00 N ATOM 280 CA LYS A 17 -7.867 -6.636 -15.792 1.00 0.00 C ATOM 281 C LYS A 17 -8.089 -5.139 -15.604 1.00 0.00 C ATOM 282 O LYS A 17 -8.860 -4.720 -14.741 1.00 0.00 O ATOM 283 CB LYS A 17 -6.862 -7.148 -14.758 1.00 0.00 C ATOM 284 CG LYS A 17 -5.643 -6.255 -14.601 1.00 0.00 C ATOM 285 CD LYS A 17 -4.528 -6.962 -13.848 1.00 0.00 C ATOM 286 CE LYS A 17 -4.970 -7.370 -12.451 1.00 0.00 C ATOM 287 NZ LYS A 17 -3.858 -7.988 -11.676 1.00 0.00 N ATOM 0 H LYS A 17 -6.440 -7.281 -17.186 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.819 -7.147 -15.648 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.361 -7.240 -13.793 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.535 -8.148 -15.045 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.284 -5.952 -15.584 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.923 -5.346 -14.069 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.215 -7.846 -14.404 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.661 -6.305 -13.779 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.342 -6.495 -11.918 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.798 -8.075 -12.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.113 -8.019 -10.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.690 -8.955 -12.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.994 -7.422 -11.797 1.00 0.00 H new ATOM 301 N ALA A 18 -7.409 -4.337 -16.418 1.00 0.00 N ATOM 302 CA ALA A 18 -7.535 -2.887 -16.343 1.00 0.00 C ATOM 303 C ALA A 18 -8.999 -2.461 -16.386 1.00 0.00 C ATOM 304 O ALA A 18 -9.396 -1.501 -15.723 1.00 0.00 O ATOM 305 CB ALA A 18 -6.758 -2.231 -17.474 1.00 0.00 C ATOM 0 H ALA A 18 -6.765 -4.668 -17.137 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.116 -2.558 -15.392 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.861 -1.148 -17.406 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.705 -2.501 -17.396 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.151 -2.573 -18.432 1.00 0.00 H new ATOM 311 N HIS A 19 -9.797 -3.178 -17.170 1.00 0.00 N ATOM 312 CA HIS A 19 -11.217 -2.873 -17.299 1.00 0.00 C ATOM 313 C HIS A 19 -11.991 -3.364 -16.080 1.00 0.00 C ATOM 314 O HIS A 19 -13.011 -2.784 -15.706 1.00 0.00 O ATOM 315 CB HIS A 19 -11.784 -3.511 -18.568 1.00 0.00 C ATOM 316 CG HIS A 19 -12.872 -2.705 -19.208 1.00 0.00 C ATOM 317 ND1 HIS A 19 -13.931 -3.274 -19.884 1.00 0.00 N ATOM 318 CD2 HIS A 19 -13.063 -1.367 -19.272 1.00 0.00 C ATOM 319 CE1 HIS A 19 -14.725 -2.320 -20.337 1.00 0.00 C ATOM 320 NE2 HIS A 19 -14.221 -1.153 -19.979 1.00 0.00 N ATOM 0 H HIS A 19 -9.485 -3.974 -17.726 1.00 0.00 H new ATOM 0 HA HIS A 19 -11.326 -1.791 -17.365 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -10.976 -3.651 -19.286 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -12.171 -4.501 -18.326 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -12.423 -0.608 -18.846 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -15.632 -2.469 -20.904 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -14.626 -0.241 -20.193 1.00 0.00 H new ATOM 328 N GLN A 20 -11.500 -4.434 -15.464 1.00 0.00 N ATOM 329 CA GLN A 20 -12.148 -5.003 -14.288 1.00 0.00 C ATOM 330 C GLN A 20 -12.385 -3.933 -13.227 1.00 0.00 C ATOM 331 O GLN A 20 -13.520 -3.697 -12.811 1.00 0.00 O ATOM 332 CB GLN A 20 -11.296 -6.134 -13.708 1.00 0.00 C ATOM 333 CG GLN A 20 -12.074 -7.080 -12.808 1.00 0.00 C ATOM 334 CD GLN A 20 -11.325 -8.369 -12.531 1.00 0.00 C ATOM 335 OE1 GLN A 20 -11.063 -8.712 -11.377 1.00 0.00 O ATOM 336 NE2 GLN A 20 -10.976 -9.091 -13.589 1.00 0.00 N ATOM 0 H GLN A 20 -10.656 -4.924 -15.759 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.114 -5.405 -14.594 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.857 -6.704 -14.527 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.471 -5.703 -13.141 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.292 -6.581 -11.864 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.032 -7.313 -13.274 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.214 -8.769 -14.527 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -10.470 -9.968 -13.464 1.00 0.00 H new ATOM 345 N THR A 21 -11.307 -3.289 -12.792 1.00 0.00 N ATOM 346 CA THR A 21 -11.397 -2.245 -11.778 1.00 0.00 C ATOM 347 C THR A 21 -12.074 -0.997 -12.333 1.00 0.00 C ATOM 348 O THR A 21 -12.887 -0.368 -11.656 1.00 0.00 O ATOM 349 CB THR A 21 -10.006 -1.864 -11.238 1.00 0.00 C ATOM 350 OG1 THR A 21 -9.127 -2.992 -11.310 1.00 0.00 O ATOM 351 CG2 THR A 21 -10.098 -1.377 -9.800 1.00 0.00 C ATOM 0 H THR A 21 -10.361 -3.472 -13.126 1.00 0.00 H new ATOM 0 HA THR A 21 -11.997 -2.648 -10.962 1.00 0.00 H new ATOM 0 HB THR A 21 -9.611 -1.056 -11.853 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.244 -2.741 -10.966 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.103 -1.114 -9.441 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.744 -0.501 -9.753 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.513 -2.167 -9.174 1.00 0.00 H new ATOM 359 N ALA A 22 -11.733 -0.644 -13.568 1.00 0.00 N ATOM 360 CA ALA A 22 -12.311 0.528 -14.214 1.00 0.00 C ATOM 361 C ALA A 22 -13.834 0.473 -14.192 1.00 0.00 C ATOM 362 O ALA A 22 -14.489 1.350 -13.628 1.00 0.00 O ATOM 363 CB ALA A 22 -11.806 0.644 -15.645 1.00 0.00 C ATOM 0 H ALA A 22 -11.060 -1.153 -14.141 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.998 1.411 -13.656 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.245 1.523 -16.116 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.720 0.739 -15.641 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.090 -0.247 -16.205 1.00 0.00 H new ATOM 369 N VAL A 23 -14.394 -0.564 -14.808 1.00 0.00 N ATOM 370 CA VAL A 23 -15.841 -0.734 -14.859 1.00 0.00 C ATOM 371 C VAL A 23 -16.452 -0.660 -13.464 1.00 0.00 C ATOM 372 O VAL A 23 -17.473 -0.005 -13.256 1.00 0.00 O ATOM 373 CB VAL A 23 -16.226 -2.077 -15.505 1.00 0.00 C ATOM 374 CG1 VAL A 23 -17.739 -2.231 -15.557 1.00 0.00 C ATOM 375 CG2 VAL A 23 -15.623 -2.191 -16.897 1.00 0.00 C ATOM 0 H VAL A 23 -13.867 -1.299 -15.279 1.00 0.00 H new ATOM 0 HA VAL A 23 -16.234 0.080 -15.469 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.823 -2.883 -14.892 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -17.992 -3.186 -16.017 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -18.143 -2.197 -14.545 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.167 -1.420 -16.146 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -15.905 -3.147 -17.339 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.994 -1.379 -17.522 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.537 -2.130 -16.829 1.00 0.00 H new ATOM 385 N ASP A 24 -15.820 -1.335 -12.511 1.00 0.00 N ATOM 386 CA ASP A 24 -16.300 -1.345 -11.134 1.00 0.00 C ATOM 387 C ASP A 24 -16.213 0.048 -10.518 1.00 0.00 C ATOM 388 O ASP A 24 -16.986 0.393 -9.624 1.00 0.00 O ATOM 389 CB ASP A 24 -15.491 -2.337 -10.296 1.00 0.00 C ATOM 390 CG ASP A 24 -16.286 -2.893 -9.130 1.00 0.00 C ATOM 391 OD1 ASP A 24 -17.502 -2.618 -9.056 1.00 0.00 O ATOM 392 OD2 ASP A 24 -15.691 -3.604 -8.293 1.00 0.00 O ATOM 0 H ASP A 24 -14.974 -1.883 -12.666 1.00 0.00 H new ATOM 0 HA ASP A 24 -17.345 -1.655 -11.142 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.159 -3.159 -10.931 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.595 -1.844 -9.919 1.00 0.00 H new ATOM 397 N LYS A 25 -15.267 0.845 -11.002 1.00 0.00 N ATOM 398 CA LYS A 25 -15.078 2.201 -10.500 1.00 0.00 C ATOM 399 C LYS A 25 -16.226 3.107 -10.935 1.00 0.00 C ATOM 400 O LYS A 25 -16.705 3.934 -10.158 1.00 0.00 O ATOM 401 CB LYS A 25 -13.748 2.771 -10.999 1.00 0.00 C ATOM 402 CG LYS A 25 -13.387 4.107 -10.373 1.00 0.00 C ATOM 403 CD LYS A 25 -12.435 4.897 -11.257 1.00 0.00 C ATOM 404 CE LYS A 25 -11.962 6.168 -10.569 1.00 0.00 C ATOM 405 NZ LYS A 25 -13.065 7.156 -10.410 1.00 0.00 N ATOM 0 H LYS A 25 -14.619 0.575 -11.742 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.063 2.160 -9.411 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.954 2.055 -10.790 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.795 2.887 -12.082 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.294 4.687 -10.203 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.928 3.941 -9.399 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.575 4.278 -11.512 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.932 5.152 -12.193 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.553 5.920 -9.590 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.154 6.615 -11.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.695 8.021 -9.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.462 7.387 -11.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.810 6.751 -9.808 1.00 0.00 H new ATOM 419 N ILE A 26 -16.664 2.944 -12.179 1.00 0.00 N ATOM 420 CA ILE A 26 -17.757 3.745 -12.715 1.00 0.00 C ATOM 421 C ILE A 26 -19.074 3.411 -12.023 1.00 0.00 C ATOM 422 O ILE A 26 -19.997 4.225 -11.994 1.00 0.00 O ATOM 423 CB ILE A 26 -17.919 3.534 -14.232 1.00 0.00 C ATOM 424 CG1 ILE A 26 -16.571 3.688 -14.937 1.00 0.00 C ATOM 425 CG2 ILE A 26 -18.935 4.515 -14.798 1.00 0.00 C ATOM 426 CD1 ILE A 26 -15.945 5.053 -14.752 1.00 0.00 C ATOM 0 H ILE A 26 -16.278 2.264 -12.834 1.00 0.00 H new ATOM 0 HA ILE A 26 -17.505 4.789 -12.527 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.285 2.522 -14.406 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -15.885 2.929 -14.562 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.704 3.499 -16.002 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -19.038 4.353 -15.871 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -19.899 4.361 -14.313 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -18.597 5.535 -14.616 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -14.992 5.090 -15.279 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -16.612 5.816 -15.153 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -15.780 5.237 -13.690 1.00 0.00 H new ATOM 438 N GLY A 27 -19.154 2.207 -11.464 1.00 0.00 N ATOM 439 CA GLY A 27 -20.362 1.787 -10.777 1.00 0.00 C ATOM 440 C GLY A 27 -21.393 1.203 -11.722 1.00 0.00 C ATOM 441 O GLY A 27 -22.596 1.301 -11.478 1.00 0.00 O ATOM 0 H GLY A 27 -18.404 1.515 -11.475 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.107 1.046 -10.020 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.795 2.640 -10.255 1.00 0.00 H new ATOM 445 N HIS A 28 -20.922 0.595 -12.807 1.00 0.00 N ATOM 446 CA HIS A 28 -21.813 -0.006 -13.793 1.00 0.00 C ATOM 447 C HIS A 28 -22.492 -1.250 -13.227 1.00 0.00 C ATOM 448 O HIS A 28 -22.003 -1.881 -12.289 1.00 0.00 O ATOM 449 CB HIS A 28 -21.035 -0.368 -15.060 1.00 0.00 C ATOM 450 CG HIS A 28 -21.022 0.723 -16.086 1.00 0.00 C ATOM 451 ND1 HIS A 28 -20.566 1.998 -15.824 1.00 0.00 N ATOM 452 CD2 HIS A 28 -21.410 0.723 -17.383 1.00 0.00 C ATOM 453 CE1 HIS A 28 -20.677 2.735 -16.914 1.00 0.00 C ATOM 454 NE2 HIS A 28 -21.186 1.985 -17.875 1.00 0.00 N ATOM 0 H HIS A 28 -19.930 0.506 -13.025 1.00 0.00 H new ATOM 0 HA HIS A 28 -22.583 0.724 -14.043 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -20.008 -0.613 -14.789 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -21.471 -1.265 -15.500 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -21.820 -0.114 -17.929 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -20.399 3.775 -17.005 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -21.381 2.293 -18.828 1.00 0.00 H new ATOM 462 N PRO A 29 -23.646 -1.611 -13.807 1.00 0.00 N ATOM 463 CA PRO A 29 -24.416 -2.781 -13.376 1.00 0.00 C ATOM 464 C PRO A 29 -23.719 -4.093 -13.720 1.00 0.00 C ATOM 465 O PRO A 29 -22.689 -4.101 -14.394 1.00 0.00 O ATOM 466 CB PRO A 29 -25.726 -2.651 -14.158 1.00 0.00 C ATOM 467 CG PRO A 29 -25.369 -1.854 -15.365 1.00 0.00 C ATOM 468 CD PRO A 29 -24.287 -0.905 -14.929 1.00 0.00 C ATOM 0 HA PRO A 29 -24.549 -2.805 -12.294 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -26.122 -3.629 -14.432 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -26.493 -2.151 -13.566 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -25.020 -2.500 -16.170 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -26.235 -1.311 -15.744 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -23.580 -0.704 -15.734 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -24.697 0.056 -14.618 1.00 0.00 H new ATOM 476 N SER A 30 -24.287 -5.200 -13.253 1.00 0.00 N ATOM 477 CA SER A 30 -23.718 -6.518 -13.508 1.00 0.00 C ATOM 478 C SER A 30 -24.602 -7.316 -14.462 1.00 0.00 C ATOM 479 O SER A 30 -24.546 -8.545 -14.498 1.00 0.00 O ATOM 480 CB SER A 30 -23.543 -7.284 -12.196 1.00 0.00 C ATOM 481 OG SER A 30 -24.772 -7.388 -11.498 1.00 0.00 O ATOM 0 H SER A 30 -25.141 -5.210 -12.696 1.00 0.00 H new ATOM 0 HA SER A 30 -22.742 -6.381 -13.973 1.00 0.00 H new ATOM 0 HB2 SER A 30 -23.153 -8.281 -12.402 1.00 0.00 H new ATOM 0 HB3 SER A 30 -22.808 -6.777 -11.571 1.00 0.00 H new ATOM 0 HG SER A 30 -24.634 -7.883 -10.664 1.00 0.00 H new ATOM 487 N HIS A 31 -25.419 -6.607 -15.235 1.00 0.00 N ATOM 488 CA HIS A 31 -26.315 -7.248 -16.191 1.00 0.00 C ATOM 489 C HIS A 31 -25.537 -8.147 -17.147 1.00 0.00 C ATOM 490 O HIS A 31 -24.320 -8.020 -17.283 1.00 0.00 O ATOM 491 CB HIS A 31 -27.091 -6.193 -16.981 1.00 0.00 C ATOM 492 CG HIS A 31 -26.236 -5.404 -17.925 1.00 0.00 C ATOM 493 ND1 HIS A 31 -26.538 -5.248 -19.261 1.00 0.00 N ATOM 494 CD2 HIS A 31 -25.085 -4.723 -17.718 1.00 0.00 C ATOM 495 CE1 HIS A 31 -25.608 -4.507 -19.837 1.00 0.00 C ATOM 496 NE2 HIS A 31 -24.715 -4.175 -18.922 1.00 0.00 N ATOM 0 H HIS A 31 -25.479 -5.589 -15.218 1.00 0.00 H new ATOM 0 HA HIS A 31 -27.020 -7.865 -15.634 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -27.884 -6.684 -17.545 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -27.573 -5.509 -16.282 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -24.556 -4.628 -16.781 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -25.582 -4.221 -20.878 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -23.885 -3.604 -19.083 1.00 0.00 H new ATOM 504 N LYS A 32 -26.247 -9.056 -17.806 1.00 0.00 N ATOM 505 CA LYS A 32 -25.625 -9.977 -18.750 1.00 0.00 C ATOM 506 C LYS A 32 -24.866 -9.216 -19.832 1.00 0.00 C ATOM 507 O LYS A 32 -25.208 -8.080 -20.159 1.00 0.00 O ATOM 508 CB LYS A 32 -26.684 -10.876 -19.391 1.00 0.00 C ATOM 509 CG LYS A 32 -26.102 -11.990 -20.243 1.00 0.00 C ATOM 510 CD LYS A 32 -27.103 -13.113 -20.453 1.00 0.00 C ATOM 511 CE LYS A 32 -26.782 -13.920 -21.702 1.00 0.00 C ATOM 512 NZ LYS A 32 -27.921 -14.789 -22.109 1.00 0.00 N ATOM 0 H LYS A 32 -27.255 -9.175 -17.704 1.00 0.00 H new ATOM 0 HA LYS A 32 -24.916 -10.597 -18.201 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -27.300 -11.315 -18.606 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -27.342 -10.264 -20.008 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -25.797 -11.588 -21.209 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -25.206 -12.385 -19.764 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -27.102 -13.770 -19.584 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -28.107 -12.696 -20.536 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -26.533 -13.242 -22.518 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -25.902 -14.537 -21.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -27.663 -15.322 -22.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -28.143 -15.453 -21.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -28.754 -14.199 -22.308 1.00 0.00 H new ATOM 526 N GLN A 33 -23.837 -9.850 -20.384 1.00 0.00 N ATOM 527 CA GLN A 33 -23.031 -9.232 -21.430 1.00 0.00 C ATOM 528 C GLN A 33 -23.902 -8.806 -22.608 1.00 0.00 C ATOM 529 O GLN A 33 -25.076 -9.169 -22.689 1.00 0.00 O ATOM 530 CB GLN A 33 -21.947 -10.200 -21.907 1.00 0.00 C ATOM 531 CG GLN A 33 -20.652 -10.101 -21.116 1.00 0.00 C ATOM 532 CD GLN A 33 -20.744 -10.773 -19.760 1.00 0.00 C ATOM 533 OE1 GLN A 33 -21.506 -10.347 -18.893 1.00 0.00 O ATOM 534 NE2 GLN A 33 -19.964 -11.832 -19.571 1.00 0.00 N ATOM 0 H GLN A 33 -23.542 -10.791 -20.124 1.00 0.00 H new ATOM 0 HA GLN A 33 -22.557 -8.344 -21.011 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -22.327 -11.219 -21.840 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -21.736 -10.007 -22.959 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -19.845 -10.557 -21.689 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -20.393 -9.051 -20.980 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -19.347 -12.151 -20.318 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -19.982 -12.326 -18.679 1.00 0.00 H new ATOM 543 N THR A 34 -23.319 -8.033 -23.519 1.00 0.00 N ATOM 544 CA THR A 34 -24.042 -7.556 -24.691 1.00 0.00 C ATOM 545 C THR A 34 -23.205 -7.714 -25.955 1.00 0.00 C ATOM 546 O THR A 34 -21.980 -7.832 -25.907 1.00 0.00 O ATOM 547 CB THR A 34 -24.446 -6.077 -24.539 1.00 0.00 C ATOM 548 OG1 THR A 34 -23.488 -5.389 -23.727 1.00 0.00 O ATOM 549 CG2 THR A 34 -25.828 -5.956 -23.915 1.00 0.00 C ATOM 0 H THR A 34 -22.348 -7.724 -23.467 1.00 0.00 H new ATOM 0 HA THR A 34 -24.942 -8.164 -24.776 1.00 0.00 H new ATOM 0 HB THR A 34 -24.472 -5.626 -25.531 1.00 0.00 H new ATOM 0 HG1 THR A 34 -23.751 -4.449 -23.636 1.00 0.00 H new ATOM 0 HG21 THR A 34 -26.092 -4.903 -23.817 1.00 0.00 H new ATOM 0 HG22 THR A 34 -26.559 -6.456 -24.550 1.00 0.00 H new ATOM 0 HG23 THR A 34 -25.824 -6.422 -22.930 1.00 0.00 H new ATOM 557 N PRO A 35 -23.878 -7.718 -27.115 1.00 0.00 N ATOM 558 CA PRO A 35 -23.216 -7.860 -28.415 1.00 0.00 C ATOM 559 C PRO A 35 -22.393 -6.631 -28.784 1.00 0.00 C ATOM 560 O PRO A 35 -21.419 -6.725 -29.531 1.00 0.00 O ATOM 561 CB PRO A 35 -24.382 -8.036 -29.391 1.00 0.00 C ATOM 562 CG PRO A 35 -25.537 -7.373 -28.723 1.00 0.00 C ATOM 563 CD PRO A 35 -25.339 -7.583 -27.247 1.00 0.00 C ATOM 0 HA PRO A 35 -22.508 -8.689 -28.423 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -24.165 -7.576 -30.355 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -24.585 -9.090 -29.579 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -25.570 -6.311 -28.965 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -26.481 -7.805 -29.055 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -25.719 -6.742 -26.667 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -25.858 -8.474 -26.895 1.00 0.00 H new ATOM 571 N ALA A 36 -22.790 -5.478 -28.255 1.00 0.00 N ATOM 572 CA ALA A 36 -22.088 -4.230 -28.527 1.00 0.00 C ATOM 573 C ALA A 36 -20.611 -4.342 -28.165 1.00 0.00 C ATOM 574 O ALA A 36 -19.764 -3.672 -28.757 1.00 0.00 O ATOM 575 CB ALA A 36 -22.734 -3.083 -27.764 1.00 0.00 C ATOM 0 H ALA A 36 -23.595 -5.383 -27.635 1.00 0.00 H new ATOM 0 HA ALA A 36 -22.160 -4.027 -29.595 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.199 -2.157 -27.977 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.774 -2.980 -28.073 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -22.692 -3.288 -26.694 1.00 0.00 H new ATOM 581 N ASP A 37 -20.308 -5.192 -27.190 1.00 0.00 N ATOM 582 CA ASP A 37 -18.932 -5.392 -26.750 1.00 0.00 C ATOM 583 C ASP A 37 -18.025 -5.721 -27.932 1.00 0.00 C ATOM 584 O ASP A 37 -16.838 -5.396 -27.926 1.00 0.00 O ATOM 585 CB ASP A 37 -18.864 -6.512 -25.711 1.00 0.00 C ATOM 586 CG ASP A 37 -17.730 -6.318 -24.723 1.00 0.00 C ATOM 587 OD1 ASP A 37 -17.410 -5.152 -24.409 1.00 0.00 O ATOM 588 OD2 ASP A 37 -17.164 -7.332 -24.264 1.00 0.00 O ATOM 0 H ASP A 37 -20.997 -5.754 -26.689 1.00 0.00 H new ATOM 0 HA ASP A 37 -18.584 -4.464 -26.296 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -19.809 -6.559 -25.170 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -18.739 -7.468 -26.219 1.00 0.00 H new ATOM 593 N HIS A 38 -18.593 -6.369 -28.944 1.00 0.00 N ATOM 594 CA HIS A 38 -17.836 -6.743 -30.133 1.00 0.00 C ATOM 595 C HIS A 38 -17.186 -5.519 -30.771 1.00 0.00 C ATOM 596 O HIS A 38 -16.140 -5.622 -31.411 1.00 0.00 O ATOM 597 CB HIS A 38 -18.747 -7.437 -31.146 1.00 0.00 C ATOM 598 CG HIS A 38 -18.005 -8.266 -32.149 1.00 0.00 C ATOM 599 ND1 HIS A 38 -17.363 -9.443 -31.825 1.00 0.00 N ATOM 600 CD2 HIS A 38 -17.807 -8.084 -33.475 1.00 0.00 C ATOM 601 CE1 HIS A 38 -16.801 -9.947 -32.909 1.00 0.00 C ATOM 602 NE2 HIS A 38 -17.055 -9.142 -33.924 1.00 0.00 N ATOM 0 H HIS A 38 -19.574 -6.646 -28.964 1.00 0.00 H new ATOM 0 HA HIS A 38 -17.049 -7.434 -29.830 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -19.453 -8.073 -30.612 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -19.333 -6.683 -31.672 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -18.172 -7.260 -34.070 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -16.230 -10.863 -32.957 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -16.744 -9.283 -34.885 1.00 0.00 H new ATOM 610 N ALA A 39 -17.814 -4.361 -30.592 1.00 0.00 N ATOM 611 CA ALA A 39 -17.296 -3.117 -31.148 1.00 0.00 C ATOM 612 C ALA A 39 -16.135 -2.584 -30.315 1.00 0.00 C ATOM 613 O ALA A 39 -15.192 -2.000 -30.848 1.00 0.00 O ATOM 614 CB ALA A 39 -18.403 -2.078 -31.239 1.00 0.00 C ATOM 0 H ALA A 39 -18.682 -4.259 -30.066 1.00 0.00 H new ATOM 0 HA ALA A 39 -16.924 -3.324 -32.151 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.002 -1.154 -31.656 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -19.200 -2.451 -31.883 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -18.802 -1.883 -30.244 1.00 0.00 H new ATOM 620 N ALA A 40 -16.211 -2.789 -29.004 1.00 0.00 N ATOM 621 CA ALA A 40 -15.166 -2.330 -28.097 1.00 0.00 C ATOM 622 C ALA A 40 -13.812 -2.920 -28.477 1.00 0.00 C ATOM 623 O ALA A 40 -12.767 -2.343 -28.175 1.00 0.00 O ATOM 624 CB ALA A 40 -15.517 -2.690 -26.662 1.00 0.00 C ATOM 0 H ALA A 40 -16.985 -3.270 -28.546 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.097 -1.245 -28.181 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.728 -2.341 -25.996 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.459 -2.216 -26.388 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.616 -3.772 -26.572 1.00 0.00 H new ATOM 630 N ILE A 41 -13.838 -4.071 -29.140 1.00 0.00 N ATOM 631 CA ILE A 41 -12.612 -4.738 -29.560 1.00 0.00 C ATOM 632 C ILE A 41 -11.764 -3.825 -30.439 1.00 0.00 C ATOM 633 O ILE A 41 -10.543 -3.968 -30.502 1.00 0.00 O ATOM 634 CB ILE A 41 -12.914 -6.037 -30.330 1.00 0.00 C ATOM 635 CG1 ILE A 41 -13.782 -6.969 -29.481 1.00 0.00 C ATOM 636 CG2 ILE A 41 -11.619 -6.729 -30.729 1.00 0.00 C ATOM 637 CD1 ILE A 41 -13.122 -7.401 -28.191 1.00 0.00 C ATOM 0 H ILE A 41 -14.695 -4.561 -29.398 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.059 -4.983 -28.653 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.464 -5.785 -31.237 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -14.721 -6.466 -29.249 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -14.031 -7.854 -30.067 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -11.849 -7.646 -31.272 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.034 -6.066 -31.366 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -11.046 -6.972 -29.834 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -13.794 -8.059 -27.641 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.197 -7.932 -28.416 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.898 -6.523 -27.585 1.00 0.00 H new ATOM 649 N GLU A 42 -12.419 -2.886 -31.114 1.00 0.00 N ATOM 650 CA GLU A 42 -11.724 -1.949 -31.989 1.00 0.00 C ATOM 651 C GLU A 42 -10.605 -1.233 -31.238 1.00 0.00 C ATOM 652 O GLU A 42 -9.569 -0.903 -31.814 1.00 0.00 O ATOM 653 CB GLU A 42 -12.706 -0.925 -32.560 1.00 0.00 C ATOM 654 CG GLU A 42 -13.193 0.088 -31.538 1.00 0.00 C ATOM 655 CD GLU A 42 -14.505 0.735 -31.937 1.00 0.00 C ATOM 656 OE1 GLU A 42 -14.853 0.683 -33.135 1.00 0.00 O ATOM 657 OE2 GLU A 42 -15.185 1.293 -31.050 1.00 0.00 O ATOM 0 H GLU A 42 -13.430 -2.754 -31.072 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.284 -2.516 -32.810 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.227 -0.396 -33.384 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.565 -1.451 -32.975 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.314 -0.404 -30.573 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.436 0.861 -31.409 1.00 0.00 H new ATOM 664 N ALA A 43 -10.823 -0.994 -29.949 1.00 0.00 N ATOM 665 CA ALA A 43 -9.834 -0.318 -29.119 1.00 0.00 C ATOM 666 C ALA A 43 -8.782 -1.299 -28.610 1.00 0.00 C ATOM 667 O ALA A 43 -7.622 -0.934 -28.413 1.00 0.00 O ATOM 668 CB ALA A 43 -10.514 0.382 -27.952 1.00 0.00 C ATOM 0 H ALA A 43 -11.676 -1.259 -29.457 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.330 0.429 -29.733 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.763 0.883 -27.341 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.222 1.118 -28.332 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.044 -0.353 -27.346 1.00 0.00 H new ATOM 674 N LEU A 44 -9.195 -2.543 -28.397 1.00 0.00 N ATOM 675 CA LEU A 44 -8.288 -3.577 -27.910 1.00 0.00 C ATOM 676 C LEU A 44 -7.120 -3.774 -28.871 1.00 0.00 C ATOM 677 O LEU A 44 -6.021 -4.148 -28.460 1.00 0.00 O ATOM 678 CB LEU A 44 -9.039 -4.896 -27.725 1.00 0.00 C ATOM 679 CG LEU A 44 -9.718 -5.098 -26.369 1.00 0.00 C ATOM 680 CD1 LEU A 44 -11.066 -4.394 -26.337 1.00 0.00 C ATOM 681 CD2 LEU A 44 -9.881 -6.581 -26.070 1.00 0.00 C ATOM 0 H LEU A 44 -10.152 -2.861 -28.554 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.892 -3.254 -26.947 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.798 -4.971 -28.504 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.338 -5.715 -27.883 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.084 -4.660 -25.598 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.534 -4.549 -25.365 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.923 -3.327 -26.505 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.708 -4.802 -27.118 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.366 -6.706 -25.102 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.493 -7.043 -26.844 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.901 -7.058 -26.049 1.00 0.00 H new ATOM 693 N ASP A 45 -7.364 -3.518 -30.151 1.00 0.00 N ATOM 694 CA ASP A 45 -6.332 -3.664 -31.171 1.00 0.00 C ATOM 695 C ASP A 45 -5.117 -2.803 -30.841 1.00 0.00 C ATOM 696 O ASP A 45 -3.976 -3.211 -31.060 1.00 0.00 O ATOM 697 CB ASP A 45 -6.885 -3.283 -32.545 1.00 0.00 C ATOM 698 CG ASP A 45 -5.788 -3.001 -33.552 1.00 0.00 C ATOM 699 OD1 ASP A 45 -5.304 -1.850 -33.596 1.00 0.00 O ATOM 700 OD2 ASP A 45 -5.413 -3.930 -34.298 1.00 0.00 O ATOM 0 H ASP A 45 -8.268 -3.208 -30.508 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.020 -4.708 -31.191 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.516 -4.090 -32.916 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.519 -2.402 -32.447 1.00 0.00 H new ATOM 705 N ARG A 46 -5.370 -1.609 -30.314 1.00 0.00 N ATOM 706 CA ARG A 46 -4.296 -0.689 -29.956 1.00 0.00 C ATOM 707 C ARG A 46 -3.375 -1.310 -28.910 1.00 0.00 C ATOM 708 O ARG A 46 -2.151 -1.230 -29.020 1.00 0.00 O ATOM 709 CB ARG A 46 -4.876 0.623 -29.426 1.00 0.00 C ATOM 710 CG ARG A 46 -3.943 1.812 -29.590 1.00 0.00 C ATOM 711 CD ARG A 46 -4.634 3.117 -29.228 1.00 0.00 C ATOM 712 NE ARG A 46 -3.792 4.277 -29.503 1.00 0.00 N ATOM 713 CZ ARG A 46 -4.012 5.483 -28.992 1.00 0.00 C ATOM 714 NH1 ARG A 46 -5.042 5.686 -28.183 1.00 0.00 N ATOM 715 NH2 ARG A 46 -3.200 6.490 -29.289 1.00 0.00 N ATOM 0 H ARG A 46 -6.308 -1.256 -30.126 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.712 -0.484 -30.853 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.812 0.832 -29.944 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.116 0.504 -28.370 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.065 1.677 -28.958 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.590 1.860 -30.620 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.564 3.203 -29.790 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.900 3.105 -28.171 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.990 4.155 -30.122 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.668 4.915 -27.951 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.208 6.613 -27.792 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.406 6.338 -29.911 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.370 7.416 -28.896 1.00 0.00 H new ATOM 729 N LEU A 47 -3.971 -1.928 -27.897 1.00 0.00 N ATOM 730 CA LEU A 47 -3.204 -2.562 -26.830 1.00 0.00 C ATOM 731 C LEU A 47 -2.385 -3.731 -27.369 1.00 0.00 C ATOM 732 O LEU A 47 -1.165 -3.776 -27.206 1.00 0.00 O ATOM 733 CB LEU A 47 -4.140 -3.048 -25.722 1.00 0.00 C ATOM 734 CG LEU A 47 -5.223 -2.065 -25.279 1.00 0.00 C ATOM 735 CD1 LEU A 47 -6.020 -2.636 -24.116 1.00 0.00 C ATOM 736 CD2 LEU A 47 -4.606 -0.727 -24.899 1.00 0.00 C ATOM 0 H LEU A 47 -4.983 -2.004 -27.792 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.518 -1.821 -26.419 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.625 -3.964 -26.060 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.536 -3.309 -24.853 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.904 -1.904 -26.115 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.786 -1.922 -23.815 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.494 -3.569 -24.423 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.352 -2.827 -23.276 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.392 -0.040 -24.586 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.902 -0.871 -24.079 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.081 -0.311 -25.759 1.00 0.00 H new ATOM 748 N LEU A 48 -3.064 -4.675 -28.013 1.00 0.00 N ATOM 749 CA LEU A 48 -2.399 -5.843 -28.579 1.00 0.00 C ATOM 750 C LEU A 48 -1.250 -5.428 -29.492 1.00 0.00 C ATOM 751 O LEU A 48 -0.120 -5.893 -29.337 1.00 0.00 O ATOM 752 CB LEU A 48 -3.401 -6.697 -29.357 1.00 0.00 C ATOM 753 CG LEU A 48 -4.663 -7.110 -28.599 1.00 0.00 C ATOM 754 CD1 LEU A 48 -5.753 -7.539 -29.569 1.00 0.00 C ATOM 755 CD2 LEU A 48 -4.352 -8.229 -27.615 1.00 0.00 C ATOM 0 H LEU A 48 -4.074 -4.654 -28.156 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.990 -6.431 -27.757 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.701 -6.147 -30.249 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.893 -7.600 -29.695 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.024 -6.248 -28.037 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.643 -7.829 -29.011 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.996 -6.710 -30.233 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.402 -8.386 -30.159 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.262 -8.510 -27.084 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.966 -9.093 -28.156 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.605 -7.886 -26.899 1.00 0.00 H new ATOM 767 N LEU A 49 -1.546 -4.548 -30.443 1.00 0.00 N ATOM 768 CA LEU A 49 -0.537 -4.068 -31.380 1.00 0.00 C ATOM 769 C LEU A 49 0.656 -3.472 -30.639 1.00 0.00 C ATOM 770 O LEU A 49 1.803 -3.841 -30.890 1.00 0.00 O ATOM 771 CB LEU A 49 -1.142 -3.023 -32.319 1.00 0.00 C ATOM 772 CG LEU A 49 -0.352 -2.730 -33.596 1.00 0.00 C ATOM 773 CD1 LEU A 49 -1.283 -2.262 -34.704 1.00 0.00 C ATOM 774 CD2 LEU A 49 0.726 -1.690 -33.328 1.00 0.00 C ATOM 0 H LEU A 49 -2.476 -4.153 -30.585 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.188 -4.918 -31.967 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.142 -3.353 -32.602 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.259 -2.091 -31.766 1.00 0.00 H new ATOM 0 HG LEU A 49 0.132 -3.651 -33.921 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.703 -2.058 -35.604 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.018 -3.039 -34.914 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.795 -1.353 -34.389 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.278 -1.493 -34.247 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.263 -0.767 -32.979 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.410 -2.063 -32.566 1.00 0.00 H new ATOM 786 N ASP A 50 0.376 -2.550 -29.724 1.00 0.00 N ATOM 787 CA ASP A 50 1.426 -1.906 -28.943 1.00 0.00 C ATOM 788 C ASP A 50 2.329 -2.944 -28.285 1.00 0.00 C ATOM 789 O ASP A 50 3.546 -2.931 -28.472 1.00 0.00 O ATOM 790 CB ASP A 50 0.812 -0.996 -27.878 1.00 0.00 C ATOM 791 CG ASP A 50 0.337 0.326 -28.449 1.00 0.00 C ATOM 792 OD1 ASP A 50 0.211 0.425 -29.687 1.00 0.00 O ATOM 793 OD2 ASP A 50 0.091 1.260 -27.657 1.00 0.00 O ATOM 0 H ASP A 50 -0.568 -2.232 -29.505 1.00 0.00 H new ATOM 0 HA ASP A 50 2.031 -1.303 -29.620 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.028 -1.508 -27.407 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.549 -0.807 -27.097 1.00 0.00 H new ATOM 798 N VAL A 51 1.725 -3.841 -27.512 1.00 0.00 N ATOM 799 CA VAL A 51 2.475 -4.887 -26.826 1.00 0.00 C ATOM 800 C VAL A 51 3.376 -5.644 -27.795 1.00 0.00 C ATOM 801 O VAL A 51 4.568 -5.817 -27.543 1.00 0.00 O ATOM 802 CB VAL A 51 1.533 -5.887 -26.130 1.00 0.00 C ATOM 803 CG1 VAL A 51 2.333 -6.979 -25.435 1.00 0.00 C ATOM 804 CG2 VAL A 51 0.627 -5.168 -25.142 1.00 0.00 C ATOM 0 H VAL A 51 0.719 -3.865 -27.345 1.00 0.00 H new ATOM 0 HA VAL A 51 3.090 -4.394 -26.074 1.00 0.00 H new ATOM 0 HB VAL A 51 0.905 -6.355 -26.888 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.651 -7.676 -24.949 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.935 -7.513 -26.170 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.987 -6.531 -24.687 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.032 -5.891 -24.660 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.235 -4.670 -24.386 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.027 -4.427 -25.671 1.00 0.00 H new ATOM 814 N ARG A 52 2.798 -6.092 -28.904 1.00 0.00 N ATOM 815 CA ARG A 52 3.549 -6.831 -29.912 1.00 0.00 C ATOM 816 C ARG A 52 4.633 -5.956 -30.533 1.00 0.00 C ATOM 817 O ARG A 52 5.647 -6.457 -31.018 1.00 0.00 O ATOM 818 CB ARG A 52 2.609 -7.347 -31.003 1.00 0.00 C ATOM 819 CG ARG A 52 3.226 -8.426 -31.878 1.00 0.00 C ATOM 820 CD ARG A 52 3.116 -9.798 -31.232 1.00 0.00 C ATOM 821 NE ARG A 52 4.231 -10.068 -30.328 1.00 0.00 N ATOM 822 CZ ARG A 52 4.389 -11.216 -29.679 1.00 0.00 C ATOM 823 NH1 ARG A 52 3.509 -12.195 -29.833 1.00 0.00 N ATOM 824 NH2 ARG A 52 5.430 -11.386 -28.873 1.00 0.00 N ATOM 0 H ARG A 52 1.812 -5.956 -29.128 1.00 0.00 H new ATOM 0 HA ARG A 52 4.027 -7.679 -29.422 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.706 -7.742 -30.536 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.303 -6.511 -31.632 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.728 -8.438 -32.848 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.275 -8.192 -32.061 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.178 -9.865 -30.681 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.085 -10.563 -32.008 1.00 0.00 H new ATOM 0 HE ARG A 52 4.926 -9.335 -30.187 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.708 -12.068 -30.451 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.633 -13.076 -29.333 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.109 -10.635 -28.752 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.551 -12.268 -28.375 1.00 0.00 H new ATOM 838 N ALA A 53 4.412 -4.645 -30.514 1.00 0.00 N ATOM 839 CA ALA A 53 5.370 -3.700 -31.073 1.00 0.00 C ATOM 840 C ALA A 53 6.532 -3.464 -30.113 1.00 0.00 C ATOM 841 O ALA A 53 7.545 -2.871 -30.484 1.00 0.00 O ATOM 842 CB ALA A 53 4.682 -2.385 -31.405 1.00 0.00 C ATOM 0 H ALA A 53 3.577 -4.214 -30.117 1.00 0.00 H new ATOM 0 HA ALA A 53 5.772 -4.128 -31.991 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.410 -1.689 -31.822 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.891 -2.562 -32.134 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.252 -1.960 -30.498 1.00 0.00 H new ATOM 848 N ARG A 54 6.377 -3.930 -28.878 1.00 0.00 N ATOM 849 CA ARG A 54 7.413 -3.767 -27.865 1.00 0.00 C ATOM 850 C ARG A 54 7.725 -2.291 -27.639 1.00 0.00 C ATOM 851 O ARG A 54 8.889 -1.890 -27.611 1.00 0.00 O ATOM 852 CB ARG A 54 8.684 -4.511 -28.281 1.00 0.00 C ATOM 853 CG ARG A 54 8.461 -5.987 -28.565 1.00 0.00 C ATOM 854 CD ARG A 54 9.493 -6.529 -29.541 1.00 0.00 C ATOM 855 NE ARG A 54 9.198 -6.146 -30.919 1.00 0.00 N ATOM 856 CZ ARG A 54 10.021 -6.371 -31.937 1.00 0.00 C ATOM 857 NH1 ARG A 54 11.183 -6.975 -31.733 1.00 0.00 N ATOM 858 NH2 ARG A 54 9.681 -5.993 -33.163 1.00 0.00 N ATOM 0 H ARG A 54 5.545 -4.423 -28.555 1.00 0.00 H new ATOM 0 HA ARG A 54 7.043 -4.189 -26.931 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.097 -4.037 -29.171 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.429 -4.410 -27.491 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.510 -6.549 -27.633 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.461 -6.133 -28.973 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.481 -6.160 -29.266 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.527 -7.616 -29.466 1.00 0.00 H new ATOM 0 HE ARG A 54 8.311 -5.680 -31.110 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.447 -7.268 -30.792 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.813 -7.147 -32.517 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.787 -5.529 -33.324 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.314 -6.166 -33.944 1.00 0.00 H new ATOM 872 N ARG A 55 6.678 -1.488 -27.480 1.00 0.00 N ATOM 873 CA ARG A 55 6.841 -0.056 -27.258 1.00 0.00 C ATOM 874 C ARG A 55 5.938 0.425 -26.126 1.00 0.00 C ATOM 875 O ARG A 55 5.553 1.593 -26.078 1.00 0.00 O ATOM 876 CB ARG A 55 6.526 0.719 -28.539 1.00 0.00 C ATOM 877 CG ARG A 55 7.472 0.406 -29.687 1.00 0.00 C ATOM 878 CD ARG A 55 7.132 1.221 -30.926 1.00 0.00 C ATOM 879 NE ARG A 55 7.516 0.533 -32.156 1.00 0.00 N ATOM 880 CZ ARG A 55 8.764 0.477 -32.608 1.00 0.00 C ATOM 881 NH1 ARG A 55 9.743 1.064 -31.935 1.00 0.00 N ATOM 882 NH2 ARG A 55 9.034 -0.169 -33.735 1.00 0.00 N ATOM 0 H ARG A 55 5.708 -1.804 -27.501 1.00 0.00 H new ATOM 0 HA ARG A 55 7.878 0.127 -26.976 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.505 0.494 -28.848 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.566 1.787 -28.327 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.497 0.615 -29.382 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.420 -0.657 -29.923 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.061 1.424 -30.944 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.639 2.185 -30.876 1.00 0.00 H new ATOM 0 HE ARG A 55 6.786 0.070 -32.698 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.539 1.560 -31.068 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.700 1.019 -32.284 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.283 -0.623 -34.255 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.992 -0.212 -34.081 1.00 0.00 H new ATOM 896 N VAL A 56 5.604 -0.485 -25.216 1.00 0.00 N ATOM 897 CA VAL A 56 4.747 -0.154 -24.083 1.00 0.00 C ATOM 898 C VAL A 56 5.569 0.336 -22.897 1.00 0.00 C ATOM 899 O VAL A 56 6.799 0.273 -22.912 1.00 0.00 O ATOM 900 CB VAL A 56 3.904 -1.366 -23.644 1.00 0.00 C ATOM 901 CG1 VAL A 56 2.974 -1.805 -24.765 1.00 0.00 C ATOM 902 CG2 VAL A 56 4.806 -2.512 -23.209 1.00 0.00 C ATOM 0 H VAL A 56 5.914 -1.457 -25.241 1.00 0.00 H new ATOM 0 HA VAL A 56 4.080 0.643 -24.413 1.00 0.00 H new ATOM 0 HB VAL A 56 3.292 -1.071 -22.792 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.387 -2.662 -24.436 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.305 -0.985 -25.025 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.563 -2.083 -25.639 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.194 -3.360 -22.902 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.445 -2.808 -24.041 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.426 -2.190 -22.372 1.00 0.00 H new ATOM 912 N ASP A 57 4.883 0.823 -21.869 1.00 0.00 N ATOM 913 CA ASP A 57 5.549 1.323 -20.672 1.00 0.00 C ATOM 914 C ASP A 57 4.671 1.130 -19.440 1.00 0.00 C ATOM 915 O ASP A 57 3.547 0.638 -19.539 1.00 0.00 O ATOM 916 CB ASP A 57 5.899 2.803 -20.838 1.00 0.00 C ATOM 917 CG ASP A 57 4.676 3.661 -21.095 1.00 0.00 C ATOM 918 OD1 ASP A 57 4.057 3.504 -22.168 1.00 0.00 O ATOM 919 OD2 ASP A 57 4.338 4.491 -20.224 1.00 0.00 O ATOM 0 H ASP A 57 3.865 0.882 -21.841 1.00 0.00 H new ATOM 0 HA ASP A 57 6.468 0.754 -20.533 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.405 3.157 -19.940 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.600 2.917 -21.665 1.00 0.00 H new ATOM 924 N GLN A 58 5.192 1.518 -18.281 1.00 0.00 N ATOM 925 CA GLN A 58 4.455 1.386 -17.030 1.00 0.00 C ATOM 926 C GLN A 58 3.717 2.677 -16.693 1.00 0.00 C ATOM 927 O GLN A 58 4.238 3.774 -16.899 1.00 0.00 O ATOM 928 CB GLN A 58 5.406 1.015 -15.890 1.00 0.00 C ATOM 929 CG GLN A 58 6.337 2.146 -15.483 1.00 0.00 C ATOM 930 CD GLN A 58 7.377 1.710 -14.470 1.00 0.00 C ATOM 931 OE1 GLN A 58 8.288 0.945 -14.788 1.00 0.00 O ATOM 932 NE2 GLN A 58 7.245 2.194 -13.240 1.00 0.00 N ATOM 0 H GLN A 58 6.121 1.926 -18.182 1.00 0.00 H new ATOM 0 HA GLN A 58 3.719 0.591 -17.153 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.820 0.708 -15.024 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.003 0.154 -16.191 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.839 2.535 -16.369 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.749 2.963 -15.065 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.475 2.825 -13.020 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.914 1.934 -12.515 1.00 0.00 H new ATOM 941 N PHE A 59 2.502 2.540 -16.174 1.00 0.00 N ATOM 942 CA PHE A 59 1.691 3.696 -15.809 1.00 0.00 C ATOM 943 C PHE A 59 0.554 3.291 -14.876 1.00 0.00 C ATOM 944 O PHE A 59 0.345 2.107 -14.614 1.00 0.00 O ATOM 945 CB PHE A 59 1.124 4.364 -17.064 1.00 0.00 C ATOM 946 CG PHE A 59 0.941 5.848 -16.922 1.00 0.00 C ATOM 947 CD1 PHE A 59 2.036 6.683 -16.773 1.00 0.00 C ATOM 948 CD2 PHE A 59 -0.327 6.408 -16.939 1.00 0.00 C ATOM 949 CE1 PHE A 59 1.870 8.049 -16.642 1.00 0.00 C ATOM 950 CE2 PHE A 59 -0.499 7.773 -16.809 1.00 0.00 C ATOM 951 CZ PHE A 59 0.602 8.595 -16.661 1.00 0.00 C ATOM 0 H PHE A 59 2.057 1.640 -15.996 1.00 0.00 H new ATOM 0 HA PHE A 59 2.331 4.406 -15.285 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.791 4.167 -17.904 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.164 3.909 -17.306 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.031 6.262 -16.759 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.191 5.770 -17.055 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.732 8.689 -16.525 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.492 8.197 -16.823 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.471 9.662 -16.560 1.00 0.00 H new ATOM 961 N GLN A 60 -0.176 4.283 -14.377 1.00 0.00 N ATOM 962 CA GLN A 60 -1.291 4.031 -13.472 1.00 0.00 C ATOM 963 C GLN A 60 -2.259 5.209 -13.458 1.00 0.00 C ATOM 964 O GLN A 60 -1.901 6.314 -13.048 1.00 0.00 O ATOM 965 CB GLN A 60 -0.776 3.761 -12.057 1.00 0.00 C ATOM 966 CG GLN A 60 0.297 4.738 -11.605 1.00 0.00 C ATOM 967 CD GLN A 60 0.268 4.985 -10.109 1.00 0.00 C ATOM 968 OE1 GLN A 60 1.116 4.485 -9.369 1.00 0.00 O ATOM 969 NE2 GLN A 60 -0.710 5.760 -9.656 1.00 0.00 N ATOM 0 H GLN A 60 -0.015 5.269 -14.584 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.825 3.151 -13.831 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -1.613 3.805 -11.360 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.376 2.748 -12.012 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.277 4.352 -11.887 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.165 5.685 -12.128 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.391 6.153 -10.305 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.780 5.962 -8.659 1.00 0.00 H new ATOM 978 N ILE A 61 -3.485 4.967 -13.909 1.00 0.00 N ATOM 979 CA ILE A 61 -4.504 6.008 -13.947 1.00 0.00 C ATOM 980 C ILE A 61 -5.093 6.252 -12.562 1.00 0.00 C ATOM 981 O ILE A 61 -5.586 7.341 -12.269 1.00 0.00 O ATOM 982 CB ILE A 61 -5.642 5.647 -14.920 1.00 0.00 C ATOM 983 CG1 ILE A 61 -6.330 4.355 -14.477 1.00 0.00 C ATOM 984 CG2 ILE A 61 -5.104 5.509 -16.336 1.00 0.00 C ATOM 985 CD1 ILE A 61 -7.492 3.955 -15.359 1.00 0.00 C ATOM 0 H ILE A 61 -3.797 4.059 -14.253 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.013 6.917 -14.296 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.379 6.450 -14.909 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.597 3.548 -14.467 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.686 4.475 -13.454 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.920 5.254 -17.012 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.656 6.452 -16.648 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.350 4.722 -16.364 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.931 3.030 -14.985 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.244 4.744 -15.350 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.139 3.802 -16.379 1.00 0.00 H new ATOM 997 N ASN A 62 -5.036 5.232 -11.712 1.00 0.00 N ATOM 998 CA ASN A 62 -5.562 5.335 -10.356 1.00 0.00 C ATOM 999 C ASN A 62 -4.477 5.037 -9.327 1.00 0.00 C ATOM 1000 O ASN A 62 -3.346 4.705 -9.681 1.00 0.00 O ATOM 1001 CB ASN A 62 -6.737 4.374 -10.168 1.00 0.00 C ATOM 1002 CG ASN A 62 -7.744 4.882 -9.154 1.00 0.00 C ATOM 1003 OD1 ASN A 62 -7.661 4.565 -7.968 1.00 0.00 O ATOM 1004 ND2 ASN A 62 -8.703 5.675 -9.619 1.00 0.00 N ATOM 0 H ASN A 62 -4.630 4.324 -11.939 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.910 6.357 -10.205 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.235 4.222 -11.126 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.361 3.403 -9.847 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.409 6.047 -8.984 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -8.733 5.912 -10.611 1.00 0.00 H new ATOM 1011 N ALA A 63 -4.830 5.157 -8.051 1.00 0.00 N ATOM 1012 CA ALA A 63 -3.887 4.898 -6.970 1.00 0.00 C ATOM 1013 C ALA A 63 -4.394 3.790 -6.053 1.00 0.00 C ATOM 1014 O ALA A 63 -3.638 2.901 -5.661 1.00 0.00 O ATOM 1015 CB ALA A 63 -3.634 6.170 -6.174 1.00 0.00 C ATOM 0 H ALA A 63 -5.762 5.432 -7.741 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.948 4.566 -7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.928 5.962 -5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.220 6.934 -6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.573 6.526 -5.749 1.00 0.00 H new ATOM 1021 N SER A 64 -5.678 3.850 -5.714 1.00 0.00 N ATOM 1022 CA SER A 64 -6.285 2.854 -4.839 1.00 0.00 C ATOM 1023 C SER A 64 -6.496 1.537 -5.580 1.00 0.00 C ATOM 1024 O SER A 64 -6.517 0.467 -4.972 1.00 0.00 O ATOM 1025 CB SER A 64 -7.620 3.367 -4.296 1.00 0.00 C ATOM 1026 OG SER A 64 -7.952 2.731 -3.074 1.00 0.00 O ATOM 0 H SER A 64 -6.318 4.578 -6.032 1.00 0.00 H new ATOM 0 HA SER A 64 -5.606 2.677 -4.005 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.565 4.445 -4.145 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.407 3.188 -5.028 1.00 0.00 H new ATOM 0 HG SER A 64 -8.808 3.077 -2.747 1.00 0.00 H new ATOM 1032 N ALA A 65 -6.653 1.625 -6.897 1.00 0.00 N ATOM 1033 CA ALA A 65 -6.861 0.441 -7.721 1.00 0.00 C ATOM 1034 C ALA A 65 -5.580 -0.377 -7.841 1.00 0.00 C ATOM 1035 O ALA A 65 -4.548 -0.017 -7.276 1.00 0.00 O ATOM 1036 CB ALA A 65 -7.365 0.841 -9.100 1.00 0.00 C ATOM 0 H ALA A 65 -6.640 2.503 -7.415 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.614 -0.181 -7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.516 -0.053 -9.705 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.309 1.376 -9.001 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.631 1.486 -9.583 1.00 0.00 H new ATOM 1042 N ALA A 66 -5.654 -1.479 -8.579 1.00 0.00 N ATOM 1043 CA ALA A 66 -4.499 -2.348 -8.773 1.00 0.00 C ATOM 1044 C ALA A 66 -3.344 -1.589 -9.419 1.00 0.00 C ATOM 1045 O ALA A 66 -3.528 -0.897 -10.420 1.00 0.00 O ATOM 1046 CB ALA A 66 -4.881 -3.552 -9.620 1.00 0.00 C ATOM 0 H ALA A 66 -6.501 -1.792 -9.053 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.169 -2.696 -7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.009 -4.192 -9.757 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.669 -4.114 -9.119 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.239 -3.214 -10.592 1.00 0.00 H new ATOM 1052 N GLN A 67 -2.156 -1.724 -8.840 1.00 0.00 N ATOM 1053 CA GLN A 67 -0.972 -1.050 -9.359 1.00 0.00 C ATOM 1054 C GLN A 67 -0.082 -2.024 -10.124 1.00 0.00 C ATOM 1055 O GLN A 67 0.846 -2.605 -9.560 1.00 0.00 O ATOM 1056 CB GLN A 67 -0.183 -0.408 -8.217 1.00 0.00 C ATOM 1057 CG GLN A 67 -0.911 0.745 -7.546 1.00 0.00 C ATOM 1058 CD GLN A 67 -1.504 1.720 -8.545 1.00 0.00 C ATOM 1059 OE1 GLN A 67 -0.839 2.660 -8.982 1.00 0.00 O ATOM 1060 NE2 GLN A 67 -2.761 1.501 -8.911 1.00 0.00 N ATOM 0 H GLN A 67 -1.988 -2.294 -8.011 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.301 -0.271 -10.047 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.042 -1.169 -7.469 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.771 -0.049 -8.603 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.706 0.349 -6.914 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.219 1.276 -6.893 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.275 0.710 -8.523 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.213 2.124 -9.580 1.00 0.00 H new ATOM 1069 N ILE A 68 -0.372 -2.198 -11.409 1.00 0.00 N ATOM 1070 CA ILE A 68 0.403 -3.102 -12.250 1.00 0.00 C ATOM 1071 C ILE A 68 1.573 -2.375 -12.905 1.00 0.00 C ATOM 1072 O ILE A 68 1.492 -1.181 -13.194 1.00 0.00 O ATOM 1073 CB ILE A 68 -0.470 -3.737 -13.347 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -1.737 -4.341 -12.736 1.00 0.00 C ATOM 1075 CG2 ILE A 68 0.317 -4.798 -14.103 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -2.892 -3.368 -12.657 1.00 0.00 C ATOM 0 H ILE A 68 -1.137 -1.725 -11.890 1.00 0.00 H new ATOM 0 HA ILE A 68 0.785 -3.889 -11.600 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.764 -2.959 -14.052 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.040 -5.205 -13.328 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.510 -4.705 -11.734 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.314 -5.238 -14.875 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.192 -4.341 -14.566 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.638 -5.576 -13.410 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.756 -3.864 -12.214 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.608 -2.515 -12.041 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.146 -3.023 -13.659 1.00 0.00 H new ATOM 1088 N ILE A 69 2.660 -3.104 -13.137 1.00 0.00 N ATOM 1089 CA ILE A 69 3.846 -2.530 -13.760 1.00 0.00 C ATOM 1090 C ILE A 69 4.125 -3.178 -15.112 1.00 0.00 C ATOM 1091 O ILE A 69 3.711 -4.309 -15.367 1.00 0.00 O ATOM 1092 CB ILE A 69 5.087 -2.688 -12.861 1.00 0.00 C ATOM 1093 CG1 ILE A 69 4.733 -2.375 -11.406 1.00 0.00 C ATOM 1094 CG2 ILE A 69 6.210 -1.783 -13.345 1.00 0.00 C ATOM 1095 CD1 ILE A 69 4.106 -1.011 -11.216 1.00 0.00 C ATOM 0 H ILE A 69 2.743 -4.093 -12.903 1.00 0.00 H new ATOM 0 HA ILE A 69 3.645 -1.468 -13.903 1.00 0.00 H new ATOM 0 HB ILE A 69 5.429 -3.721 -12.918 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.046 -3.136 -11.036 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.636 -2.438 -10.799 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.080 -1.906 -12.700 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.476 -2.049 -14.368 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.879 -0.745 -13.314 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.881 -0.858 -10.160 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.799 -0.241 -11.555 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.185 -0.950 -11.795 1.00 0.00 H new ATOM 1107 N VAL A 70 4.831 -2.454 -15.974 1.00 0.00 N ATOM 1108 CA VAL A 70 5.169 -2.959 -17.300 1.00 0.00 C ATOM 1109 C VAL A 70 6.679 -3.077 -17.475 1.00 0.00 C ATOM 1110 O VAL A 70 7.342 -2.131 -17.902 1.00 0.00 O ATOM 1111 CB VAL A 70 4.604 -2.050 -18.408 1.00 0.00 C ATOM 1112 CG1 VAL A 70 4.994 -2.577 -19.781 1.00 0.00 C ATOM 1113 CG2 VAL A 70 3.093 -1.934 -18.282 1.00 0.00 C ATOM 0 H VAL A 70 5.180 -1.516 -15.778 1.00 0.00 H new ATOM 0 HA VAL A 70 4.718 -3.948 -17.386 1.00 0.00 H new ATOM 0 HB VAL A 70 5.033 -1.055 -18.292 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.586 -1.922 -20.551 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.080 -2.604 -19.865 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.595 -3.583 -19.911 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.710 -1.288 -19.072 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.643 -2.923 -18.372 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.841 -1.508 -17.311 1.00 0.00 H new ATOM 1123 N THR A 71 7.218 -4.245 -17.141 1.00 0.00 N ATOM 1124 CA THR A 71 8.651 -4.487 -17.260 1.00 0.00 C ATOM 1125 C THR A 71 8.951 -5.461 -18.394 1.00 0.00 C ATOM 1126 O THR A 71 9.249 -6.632 -18.157 1.00 0.00 O ATOM 1127 CB THR A 71 9.237 -5.046 -15.950 1.00 0.00 C ATOM 1128 OG1 THR A 71 10.578 -5.499 -16.167 1.00 0.00 O ATOM 1129 CG2 THR A 71 8.388 -6.193 -15.423 1.00 0.00 C ATOM 0 H THR A 71 6.684 -5.038 -16.786 1.00 0.00 H new ATOM 0 HA THR A 71 9.117 -3.526 -17.477 1.00 0.00 H new ATOM 0 HB THR A 71 9.239 -4.247 -15.209 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.568 -6.280 -16.759 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.822 -6.571 -14.497 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.376 -5.838 -15.231 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.357 -6.993 -16.163 1.00 0.00 H new ATOM 1137 N ASP A 72 8.872 -4.970 -19.626 1.00 0.00 N ATOM 1138 CA ASP A 72 9.138 -5.797 -20.797 1.00 0.00 C ATOM 1139 C ASP A 72 10.482 -6.507 -20.667 1.00 0.00 C ATOM 1140 O ASP A 72 10.549 -7.737 -20.677 1.00 0.00 O ATOM 1141 CB ASP A 72 9.118 -4.943 -22.066 1.00 0.00 C ATOM 1142 CG ASP A 72 9.904 -3.656 -21.909 1.00 0.00 C ATOM 1143 OD1 ASP A 72 9.344 -2.682 -21.362 1.00 0.00 O ATOM 1144 OD2 ASP A 72 11.078 -3.622 -22.333 1.00 0.00 O ATOM 0 H ASP A 72 8.626 -4.003 -19.839 1.00 0.00 H new ATOM 0 HA ASP A 72 8.354 -6.552 -20.864 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.530 -5.519 -22.895 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.086 -4.706 -22.325 1.00 0.00 H new