USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.00796 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0437 K(o=-0.044,f=-1.2) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -131:sc= -5.77! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.516 USER MOD Single : A 31 SER OG : rot -66:sc= 1.1 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 35:sc= 0.239 USER MOD Single : A 48 ASN : amide:sc= -0.807 K(o=-0.81,f=-2!) USER MOD Single : A 50 SER OG : rot -41:sc= 1.13 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 61 SER OG : rot 45:sc= 0.908 USER MOD Single : A 62 SER OG : rot 97:sc= 1.17 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00356 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 80 THR OG1 : rot -72:sc= 0.864 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.953 USER MOD Single : A 87 ASN : amide:sc= -11.2! C(o=-11!,f=-15!) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0987 USER MOD Single : A 100 SER OG : rot -150:sc= -1.18 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -1.62 X(o=-1.6,f=-1.5) USER MOD Single : A 114 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.892 20.664 7.984 1.00 0.00 N ATOM 2 CA MET A 1 -25.247 19.581 7.031 1.00 0.00 C ATOM 3 C MET A 1 -26.318 18.665 7.611 1.00 0.00 C ATOM 4 O MET A 1 -26.286 18.328 8.794 1.00 0.00 O ATOM 5 CB MET A 1 -23.981 18.779 6.715 1.00 0.00 C ATOM 6 CG MET A 1 -23.119 19.405 5.631 1.00 0.00 C ATOM 7 SD MET A 1 -22.997 18.373 4.158 1.00 0.00 S ATOM 8 CE MET A 1 -24.620 18.617 3.440 1.00 0.00 C ATOM 0 H1 MET A 1 -23.878 20.881 7.901 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.447 21.516 7.764 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.102 20.355 8.955 1.00 0.00 H new ATOM 0 HA MET A 1 -25.652 20.023 6.120 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.389 18.677 7.625 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.266 17.773 6.406 1.00 0.00 H new ATOM 0 HG2 MET A 1 -23.534 20.375 5.357 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.120 19.586 6.027 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.700 18.041 2.518 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.383 18.284 4.144 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.765 19.675 3.221 1.00 0.00 H new ATOM 20 N ALA A 2 -27.268 18.267 6.770 1.00 0.00 N ATOM 21 CA ALA A 2 -28.352 17.392 7.201 1.00 0.00 C ATOM 22 C ALA A 2 -29.299 18.117 8.150 1.00 0.00 C ATOM 23 O ALA A 2 -30.449 18.392 7.807 1.00 0.00 O ATOM 24 CB ALA A 2 -27.789 16.144 7.864 1.00 0.00 C ATOM 0 H ALA A 2 -27.309 18.537 5.787 1.00 0.00 H new ATOM 0 HA ALA A 2 -28.921 17.097 6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -28.609 15.499 8.181 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -27.159 15.608 7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -27.195 16.430 8.732 1.00 0.00 H new ATOM 30 N ASP A 3 -28.809 18.423 9.347 1.00 0.00 N ATOM 31 CA ASP A 3 -29.611 19.120 10.347 1.00 0.00 C ATOM 32 C ASP A 3 -30.722 18.222 10.880 1.00 0.00 C ATOM 33 O ASP A 3 -31.872 18.644 10.996 1.00 0.00 O ATOM 34 CB ASP A 3 -30.214 20.392 9.750 1.00 0.00 C ATOM 35 CG ASP A 3 -30.123 21.573 10.695 1.00 0.00 C ATOM 36 OD1 ASP A 3 -31.009 21.706 11.566 1.00 0.00 O ATOM 37 OD2 ASP A 3 -29.167 22.367 10.566 1.00 0.00 O ATOM 0 H ASP A 3 -27.861 18.199 9.648 1.00 0.00 H new ATOM 0 HA ASP A 3 -28.956 19.388 11.176 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -29.699 20.633 8.820 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -31.259 20.212 9.498 1.00 0.00 H new ATOM 42 N PHE A 4 -30.371 16.981 11.205 1.00 0.00 N ATOM 43 CA PHE A 4 -31.341 16.027 11.729 1.00 0.00 C ATOM 44 C PHE A 4 -31.093 15.760 13.210 1.00 0.00 C ATOM 45 O PHE A 4 -32.031 15.560 13.981 1.00 0.00 O ATOM 46 CB PHE A 4 -31.274 14.716 10.944 1.00 0.00 C ATOM 47 CG PHE A 4 -32.372 14.569 9.930 1.00 0.00 C ATOM 48 CD1 PHE A 4 -32.753 15.644 9.143 1.00 0.00 C ATOM 49 CD2 PHE A 4 -33.024 13.358 9.765 1.00 0.00 C ATOM 50 CE1 PHE A 4 -33.764 15.513 8.209 1.00 0.00 C ATOM 51 CE2 PHE A 4 -34.036 13.220 8.834 1.00 0.00 C ATOM 52 CZ PHE A 4 -34.406 14.299 8.054 1.00 0.00 C ATOM 0 H PHE A 4 -29.424 16.614 11.115 1.00 0.00 H new ATOM 0 HA PHE A 4 -32.336 16.458 11.617 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -30.311 14.654 10.437 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -31.321 13.881 11.642 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -32.255 16.595 9.261 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -32.738 12.511 10.371 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -34.052 16.358 7.601 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -34.537 12.270 8.716 1.00 0.00 H new ATOM 0 HZ PHE A 4 -35.195 14.194 7.325 1.00 0.00 H new ATOM 62 N ASP A 5 -29.821 15.760 13.601 1.00 0.00 N ATOM 63 CA ASP A 5 -29.450 15.524 14.990 1.00 0.00 C ATOM 64 C ASP A 5 -28.982 16.814 15.652 1.00 0.00 C ATOM 65 O ASP A 5 -27.840 16.914 16.103 1.00 0.00 O ATOM 66 CB ASP A 5 -28.348 14.465 15.072 1.00 0.00 C ATOM 67 CG ASP A 5 -27.185 14.765 14.148 1.00 0.00 C ATOM 68 OD1 ASP A 5 -27.273 15.750 13.384 1.00 0.00 O ATOM 69 OD2 ASP A 5 -26.186 14.018 14.187 1.00 0.00 O ATOM 0 H ASP A 5 -29.032 15.921 12.975 1.00 0.00 H new ATOM 0 HA ASP A 5 -30.331 15.163 15.521 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -27.986 14.401 16.098 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -28.766 13.490 14.820 1.00 0.00 H new ATOM 74 N ASN A 6 -29.869 17.801 15.704 1.00 0.00 N ATOM 75 CA ASN A 6 -29.547 19.089 16.307 1.00 0.00 C ATOM 76 C ASN A 6 -29.713 19.041 17.821 1.00 0.00 C ATOM 77 O ASN A 6 -30.544 19.753 18.388 1.00 0.00 O ATOM 78 CB ASN A 6 -30.438 20.186 15.721 1.00 0.00 C ATOM 79 CG ASN A 6 -29.880 20.755 14.432 1.00 0.00 C ATOM 80 OD1 ASN A 6 -29.339 20.027 13.600 1.00 0.00 O ATOM 81 ND2 ASN A 6 -30.009 22.066 14.259 1.00 0.00 N ATOM 0 H ASN A 6 -30.818 17.734 15.335 1.00 0.00 H new ATOM 0 HA ASN A 6 -28.505 19.315 16.082 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -31.433 19.782 15.536 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -30.550 20.988 16.451 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -29.653 22.506 13.411 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -30.464 22.632 14.975 1.00 0.00 H new ATOM 88 N LEU A 7 -28.917 18.201 18.473 1.00 0.00 N ATOM 89 CA LEU A 7 -28.972 18.066 19.923 1.00 0.00 C ATOM 90 C LEU A 7 -27.628 18.421 20.552 1.00 0.00 C ATOM 91 O LEU A 7 -27.551 19.278 21.432 1.00 0.00 O ATOM 92 CB LEU A 7 -29.368 16.638 20.308 1.00 0.00 C ATOM 93 CG LEU A 7 -30.464 16.015 19.442 1.00 0.00 C ATOM 94 CD1 LEU A 7 -29.988 14.700 18.842 1.00 0.00 C ATOM 95 CD2 LEU A 7 -31.732 15.805 20.256 1.00 0.00 C ATOM 0 H LEU A 7 -28.226 17.603 18.020 1.00 0.00 H new ATOM 0 HA LEU A 7 -29.724 18.758 20.301 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -28.482 16.005 20.257 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -29.701 16.637 21.346 1.00 0.00 H new ATOM 0 HG LEU A 7 -30.690 16.701 18.626 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -30.781 14.272 18.229 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -29.108 14.879 18.224 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -29.733 14.006 19.643 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -32.501 15.361 19.624 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -31.521 15.139 21.093 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -32.084 16.764 20.636 1.00 0.00 H new ATOM 107 N PHE A 8 -26.572 17.760 20.091 1.00 0.00 N ATOM 108 CA PHE A 8 -25.229 18.007 20.602 1.00 0.00 C ATOM 109 C PHE A 8 -25.154 17.729 22.100 1.00 0.00 C ATOM 110 O PHE A 8 -25.832 18.378 22.897 1.00 0.00 O ATOM 111 CB PHE A 8 -24.812 19.451 20.317 1.00 0.00 C ATOM 112 CG PHE A 8 -24.508 19.713 18.870 1.00 0.00 C ATOM 113 CD1 PHE A 8 -25.454 19.451 17.892 1.00 0.00 C ATOM 114 CD2 PHE A 8 -23.276 20.221 18.489 1.00 0.00 C ATOM 115 CE1 PHE A 8 -25.177 19.691 16.559 1.00 0.00 C ATOM 116 CE2 PHE A 8 -22.994 20.463 17.158 1.00 0.00 C ATOM 117 CZ PHE A 8 -23.945 20.198 16.191 1.00 0.00 C ATOM 0 H PHE A 8 -26.621 17.047 19.363 1.00 0.00 H new ATOM 0 HA PHE A 8 -24.543 17.330 20.093 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -25.609 20.121 20.640 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -23.932 19.691 20.914 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -26.418 19.055 18.174 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -22.529 20.430 19.240 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -25.923 19.483 15.806 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -22.030 20.859 16.874 1.00 0.00 H new ATOM 0 HZ PHE A 8 -23.726 20.387 15.150 1.00 0.00 H new ATOM 127 N ASP A 9 -24.325 16.761 22.474 1.00 0.00 N ATOM 128 CA ASP A 9 -24.155 16.394 23.876 1.00 0.00 C ATOM 129 C ASP A 9 -22.680 16.405 24.264 1.00 0.00 C ATOM 130 O ASP A 9 -22.292 17.029 25.251 1.00 0.00 O ATOM 131 CB ASP A 9 -24.752 15.010 24.137 1.00 0.00 C ATOM 132 CG ASP A 9 -25.140 14.811 25.589 1.00 0.00 C ATOM 133 OD1 ASP A 9 -25.415 15.817 26.274 1.00 0.00 O ATOM 134 OD2 ASP A 9 -25.168 13.646 26.041 1.00 0.00 O ATOM 0 H ASP A 9 -23.759 16.215 21.825 1.00 0.00 H new ATOM 0 HA ASP A 9 -24.679 17.130 24.486 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -25.631 14.872 23.507 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -24.030 14.246 23.849 1.00 0.00 H new ATOM 139 N ALA A 10 -21.863 15.712 23.477 1.00 0.00 N ATOM 140 CA ALA A 10 -20.430 15.642 23.733 1.00 0.00 C ATOM 141 C ALA A 10 -19.727 14.808 22.670 1.00 0.00 C ATOM 142 O ALA A 10 -18.907 15.319 21.906 1.00 0.00 O ATOM 143 CB ALA A 10 -20.164 15.070 25.117 1.00 0.00 C ATOM 0 H ALA A 10 -22.170 15.191 22.656 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.029 16.655 23.691 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.089 15.025 25.292 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -20.627 15.708 25.870 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -20.585 14.067 25.183 1.00 0.00 H new ATOM 149 N ALA A 11 -20.053 13.522 22.623 1.00 0.00 N ATOM 150 CA ALA A 11 -19.454 12.621 21.649 1.00 0.00 C ATOM 151 C ALA A 11 -20.518 12.008 20.744 1.00 0.00 C ATOM 152 O ALA A 11 -20.527 10.799 20.512 1.00 0.00 O ATOM 153 CB ALA A 11 -18.660 11.532 22.353 1.00 0.00 C ATOM 0 H ALA A 11 -20.728 13.081 23.248 1.00 0.00 H new ATOM 0 HA ALA A 11 -18.774 13.200 21.024 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.218 10.866 21.611 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.869 11.986 22.950 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.323 10.961 23.004 1.00 0.00 H new ATOM 159 N ILE A 12 -21.415 12.850 20.243 1.00 0.00 N ATOM 160 CA ILE A 12 -22.480 12.403 19.366 1.00 0.00 C ATOM 161 C ILE A 12 -23.351 13.581 18.946 1.00 0.00 C ATOM 162 O ILE A 12 -23.356 14.629 19.593 1.00 0.00 O ATOM 163 CB ILE A 12 -23.358 11.322 20.036 1.00 0.00 C ATOM 164 CG1 ILE A 12 -24.231 10.626 18.990 1.00 0.00 C ATOM 165 CG2 ILE A 12 -24.222 11.925 21.137 1.00 0.00 C ATOM 166 CD1 ILE A 12 -24.683 9.243 19.404 1.00 0.00 C ATOM 0 H ILE A 12 -21.421 13.852 20.434 1.00 0.00 H new ATOM 0 HA ILE A 12 -22.012 11.962 18.486 1.00 0.00 H new ATOM 0 HB ILE A 12 -22.700 10.582 20.492 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -25.108 11.242 18.792 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -23.675 10.553 18.055 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -24.830 11.143 21.592 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -23.582 12.375 21.896 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -24.873 12.689 20.712 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -25.298 8.810 18.615 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -23.811 8.611 19.574 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -25.266 9.311 20.322 1.00 0.00 H new ATOM 178 N ALA A 13 -24.098 13.393 17.873 1.00 0.00 N ATOM 179 CA ALA A 13 -24.987 14.429 17.360 1.00 0.00 C ATOM 180 C ALA A 13 -24.197 15.560 16.710 1.00 0.00 C ATOM 181 O ALA A 13 -24.678 16.689 16.610 1.00 0.00 O ATOM 182 CB ALA A 13 -25.869 14.973 18.475 1.00 0.00 C ATOM 0 H ALA A 13 -24.109 12.527 17.334 1.00 0.00 H new ATOM 0 HA ALA A 13 -25.622 13.979 16.597 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -26.526 15.745 18.075 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -26.470 14.164 18.891 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.243 15.400 19.259 1.00 0.00 H new ATOM 188 N ARG A 14 -22.980 15.252 16.271 1.00 0.00 N ATOM 189 CA ARG A 14 -22.125 16.245 15.631 1.00 0.00 C ATOM 190 C ARG A 14 -21.945 15.933 14.149 1.00 0.00 C ATOM 191 O ARG A 14 -20.929 16.286 13.550 1.00 0.00 O ATOM 192 CB ARG A 14 -20.760 16.291 16.322 1.00 0.00 C ATOM 193 CG ARG A 14 -19.964 17.549 16.017 1.00 0.00 C ATOM 194 CD ARG A 14 -18.493 17.238 15.799 1.00 0.00 C ATOM 195 NE ARG A 14 -17.669 18.444 15.821 1.00 0.00 N ATOM 196 CZ ARG A 14 -17.570 19.286 14.797 1.00 0.00 C ATOM 197 NH1 ARG A 14 -18.241 19.052 13.677 1.00 0.00 N ATOM 198 NH2 ARG A 14 -16.801 20.361 14.892 1.00 0.00 N ATOM 0 H ARG A 14 -22.565 14.324 16.347 1.00 0.00 H new ATOM 0 HA ARG A 14 -22.607 17.218 15.724 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -20.905 16.216 17.400 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -20.179 15.421 16.017 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -20.371 18.031 15.128 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -20.069 18.256 16.840 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -18.150 16.550 16.572 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -18.368 16.731 14.842 1.00 0.00 H new ATOM 0 HE ARG A 14 -17.141 18.651 16.668 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -18.834 18.225 13.601 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -18.164 19.699 12.892 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -16.284 20.544 15.752 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -16.726 21.006 14.105 1.00 0.00 H new ATOM 212 N ALA A 15 -22.935 15.269 13.565 1.00 0.00 N ATOM 213 CA ALA A 15 -22.887 14.909 12.153 1.00 0.00 C ATOM 214 C ALA A 15 -21.623 14.120 11.833 1.00 0.00 C ATOM 215 O ALA A 15 -20.808 13.848 12.716 1.00 0.00 O ATOM 216 CB ALA A 15 -22.968 16.157 11.288 1.00 0.00 C ATOM 0 H ALA A 15 -23.782 14.969 14.048 1.00 0.00 H new ATOM 0 HA ALA A 15 -23.745 14.274 11.934 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -22.931 15.874 10.236 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -23.903 16.680 11.490 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -22.128 16.813 11.517 1.00 0.00 H new ATOM 222 N ASP A 16 -21.464 13.753 10.565 1.00 0.00 N ATOM 223 CA ASP A 16 -20.298 12.993 10.129 1.00 0.00 C ATOM 224 C ASP A 16 -20.348 12.735 8.627 1.00 0.00 C ATOM 225 O ASP A 16 -21.345 13.033 7.968 1.00 0.00 O ATOM 226 CB ASP A 16 -20.218 11.665 10.884 1.00 0.00 C ATOM 227 CG ASP A 16 -21.557 10.958 10.956 1.00 0.00 C ATOM 228 OD1 ASP A 16 -22.527 11.459 10.347 1.00 0.00 O ATOM 229 OD2 ASP A 16 -21.638 9.904 11.621 1.00 0.00 O ATOM 0 H ASP A 16 -22.128 13.970 9.822 1.00 0.00 H new ATOM 0 HA ASP A 16 -19.408 13.582 10.349 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.493 11.015 10.394 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -19.851 11.846 11.894 1.00 0.00 H new ATOM 234 N GLU A 17 -19.268 12.176 8.092 1.00 0.00 N ATOM 235 CA GLU A 17 -19.189 11.876 6.667 1.00 0.00 C ATOM 236 C GLU A 17 -18.917 10.393 6.437 1.00 0.00 C ATOM 237 O GLU A 17 -18.108 10.025 5.585 1.00 0.00 O ATOM 238 CB GLU A 17 -18.091 12.716 6.009 1.00 0.00 C ATOM 239 CG GLU A 17 -18.059 12.594 4.494 1.00 0.00 C ATOM 240 CD GLU A 17 -16.667 12.321 3.960 1.00 0.00 C ATOM 241 OE1 GLU A 17 -15.937 13.296 3.679 1.00 0.00 O ATOM 242 OE2 GLU A 17 -16.306 11.134 3.824 1.00 0.00 O ATOM 0 H GLU A 17 -18.435 11.922 8.623 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.149 12.125 6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.235 13.762 6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -17.124 12.414 6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -18.727 11.791 4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.440 13.514 4.051 1.00 0.00 H new ATOM 249 N THR A 18 -19.598 9.546 7.200 1.00 0.00 N ATOM 250 CA THR A 18 -19.431 8.102 7.079 1.00 0.00 C ATOM 251 C THR A 18 -17.959 7.713 7.173 1.00 0.00 C ATOM 252 O THR A 18 -17.252 7.673 6.167 1.00 0.00 O ATOM 253 CB THR A 18 -20.015 7.610 5.753 1.00 0.00 C ATOM 254 OG1 THR A 18 -21.339 8.083 5.584 1.00 0.00 O ATOM 255 CG2 THR A 18 -20.045 6.102 5.634 1.00 0.00 C ATOM 0 H THR A 18 -20.272 9.834 7.910 1.00 0.00 H new ATOM 0 HA THR A 18 -19.966 7.630 7.903 1.00 0.00 H new ATOM 0 HB THR A 18 -19.353 8.004 4.981 1.00 0.00 H new ATOM 0 HG1 THR A 18 -21.695 7.760 4.730 1.00 0.00 H new ATOM 0 HG21 THR A 18 -20.471 5.821 4.671 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.031 5.711 5.710 1.00 0.00 H new ATOM 0 HG23 THR A 18 -20.656 5.686 6.435 1.00 0.00 H new ATOM 263 N ILE A 19 -17.505 7.425 8.388 1.00 0.00 N ATOM 264 CA ILE A 19 -16.117 7.039 8.612 1.00 0.00 C ATOM 265 C ILE A 19 -15.934 5.533 8.451 1.00 0.00 C ATOM 266 O ILE A 19 -15.453 4.855 9.359 1.00 0.00 O ATOM 267 CB ILE A 19 -15.636 7.457 10.015 1.00 0.00 C ATOM 268 CG1 ILE A 19 -15.983 8.924 10.279 1.00 0.00 C ATOM 269 CG2 ILE A 19 -14.140 7.228 10.152 1.00 0.00 C ATOM 270 CD1 ILE A 19 -15.921 9.306 11.742 1.00 0.00 C ATOM 0 H ILE A 19 -18.077 7.452 9.232 1.00 0.00 H new ATOM 0 HA ILE A 19 -15.519 7.558 7.863 1.00 0.00 H new ATOM 0 HB ILE A 19 -16.146 6.843 10.757 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -15.297 9.558 9.717 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -16.985 9.125 9.901 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.816 7.528 11.148 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -13.918 6.172 10.001 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.611 7.820 9.405 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.179 10.359 11.854 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -16.627 8.698 12.307 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.913 9.137 12.120 1.00 0.00 H new ATOM 282 N ARG A 20 -16.321 5.018 7.289 1.00 0.00 N ATOM 283 CA ARG A 20 -16.201 3.592 7.006 1.00 0.00 C ATOM 284 C ARG A 20 -15.117 3.331 5.967 1.00 0.00 C ATOM 285 O ARG A 20 -15.218 2.397 5.171 1.00 0.00 O ATOM 286 CB ARG A 20 -17.540 3.036 6.515 1.00 0.00 C ATOM 287 CG ARG A 20 -17.621 1.519 6.555 1.00 0.00 C ATOM 288 CD ARG A 20 -18.305 1.028 7.820 1.00 0.00 C ATOM 289 NE ARG A 20 -18.904 -0.291 7.642 1.00 0.00 N ATOM 290 CZ ARG A 20 -18.205 -1.422 7.644 1.00 0.00 C ATOM 291 NH1 ARG A 20 -16.890 -1.392 7.817 1.00 0.00 N ATOM 292 NH2 ARG A 20 -18.821 -2.585 7.476 1.00 0.00 N ATOM 0 H ARG A 20 -16.721 5.567 6.528 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.920 3.086 7.930 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -18.342 3.450 7.126 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -17.711 3.374 5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -18.167 1.160 5.683 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.617 1.099 6.497 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -17.580 0.990 8.633 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.076 1.740 8.114 1.00 0.00 H new ATOM 0 HE ARG A 20 -19.914 -0.348 7.509 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.413 -0.500 7.949 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.356 -2.261 7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -19.832 -2.612 7.345 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.283 -3.452 7.478 1.00 0.00 H new ATOM 306 N GLY A 21 -14.079 4.161 5.980 1.00 0.00 N ATOM 307 CA GLY A 21 -12.990 4.002 5.033 1.00 0.00 C ATOM 308 C GLY A 21 -12.203 2.727 5.264 1.00 0.00 C ATOM 309 O GLY A 21 -11.258 2.706 6.052 1.00 0.00 O ATOM 0 H GLY A 21 -13.972 4.941 6.629 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.391 3.999 4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -12.319 4.858 5.108 1.00 0.00 H new ATOM 313 N TYR A 22 -12.592 1.661 4.572 1.00 0.00 N ATOM 314 CA TYR A 22 -11.918 0.376 4.705 1.00 0.00 C ATOM 315 C TYR A 22 -10.442 0.494 4.336 1.00 0.00 C ATOM 316 O TYR A 22 -9.996 1.532 3.848 1.00 0.00 O ATOM 317 CB TYR A 22 -12.593 -0.671 3.817 1.00 0.00 C ATOM 318 CG TYR A 22 -13.287 -1.767 4.594 1.00 0.00 C ATOM 319 CD1 TYR A 22 -12.695 -2.330 5.717 1.00 0.00 C ATOM 320 CD2 TYR A 22 -14.534 -2.239 4.203 1.00 0.00 C ATOM 321 CE1 TYR A 22 -13.325 -3.332 6.429 1.00 0.00 C ATOM 322 CE2 TYR A 22 -15.171 -3.240 4.911 1.00 0.00 C ATOM 323 CZ TYR A 22 -14.562 -3.783 6.023 1.00 0.00 C ATOM 324 OH TYR A 22 -15.193 -4.781 6.729 1.00 0.00 O ATOM 0 H TYR A 22 -13.371 1.662 3.913 1.00 0.00 H new ATOM 0 HA TYR A 22 -11.990 0.063 5.746 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -13.321 -0.176 3.175 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -11.844 -1.119 3.164 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -11.726 -1.979 6.039 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -15.013 -1.817 3.332 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -12.850 -3.760 7.300 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -16.141 -3.595 4.595 1.00 0.00 H new ATOM 0 HH TYR A 22 -16.057 -4.981 6.311 1.00 0.00 H new ATOM 334 N MET A 23 -9.691 -0.576 4.571 1.00 0.00 N ATOM 335 CA MET A 23 -8.267 -0.594 4.260 1.00 0.00 C ATOM 336 C MET A 23 -8.034 -0.428 2.762 1.00 0.00 C ATOM 337 O MET A 23 -7.755 0.672 2.287 1.00 0.00 O ATOM 338 CB MET A 23 -7.634 -1.900 4.745 1.00 0.00 C ATOM 339 CG MET A 23 -6.782 -1.739 5.993 1.00 0.00 C ATOM 340 SD MET A 23 -6.719 -3.239 6.991 1.00 0.00 S ATOM 341 CE MET A 23 -5.642 -2.716 8.324 1.00 0.00 C ATOM 0 H MET A 23 -10.045 -1.443 4.976 1.00 0.00 H new ATOM 0 HA MET A 23 -7.798 0.243 4.777 1.00 0.00 H new ATOM 0 HB2 MET A 23 -8.424 -2.624 4.946 1.00 0.00 H new ATOM 0 HB3 MET A 23 -7.018 -2.314 3.946 1.00 0.00 H new ATOM 0 HG2 MET A 23 -5.770 -1.458 5.703 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.179 -0.923 6.596 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.506 -3.539 9.026 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.674 -2.423 7.916 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.089 -1.867 8.842 1.00 0.00 H new ATOM 351 N GLY A 24 -8.153 -1.526 2.024 1.00 0.00 N ATOM 352 CA GLY A 24 -7.950 -1.479 0.587 1.00 0.00 C ATOM 353 C GLY A 24 -6.649 -0.803 0.210 1.00 0.00 C ATOM 354 O GLY A 24 -6.618 0.048 -0.679 1.00 0.00 O ATOM 0 H GLY A 24 -8.386 -2.447 2.394 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.958 -2.493 0.188 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.781 -0.947 0.123 1.00 0.00 H new ATOM 358 N THR A 25 -5.569 -1.202 0.868 1.00 0.00 N ATOM 359 CA THR A 25 -4.264 -0.604 0.618 1.00 0.00 C ATOM 360 C THR A 25 -3.473 -1.375 -0.426 1.00 0.00 C ATOM 361 O THR A 25 -3.416 -2.606 -0.406 1.00 0.00 O ATOM 362 CB THR A 25 -3.457 -0.538 1.907 1.00 0.00 C ATOM 363 OG1 THR A 25 -2.079 -0.377 1.625 1.00 0.00 O ATOM 364 CG2 THR A 25 -3.606 -1.773 2.770 1.00 0.00 C ATOM 0 H THR A 25 -5.570 -1.935 1.577 1.00 0.00 H new ATOM 0 HA THR A 25 -4.442 0.401 0.237 1.00 0.00 H new ATOM 0 HB THR A 25 -3.853 0.318 2.454 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.561 -1.028 2.143 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.005 -1.661 3.673 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.653 -1.901 3.045 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.267 -2.648 2.215 1.00 0.00 H new ATOM 372 N SER A 26 -2.817 -0.627 -1.303 1.00 0.00 N ATOM 373 CA SER A 26 -2.013 -1.206 -2.364 1.00 0.00 C ATOM 374 C SER A 26 -0.557 -0.789 -2.239 1.00 0.00 C ATOM 375 O SER A 26 -0.254 0.396 -2.279 1.00 0.00 O ATOM 376 CB SER A 26 -2.536 -0.735 -3.717 1.00 0.00 C ATOM 377 OG SER A 26 -3.874 -1.151 -3.925 1.00 0.00 O ATOM 0 H SER A 26 -2.829 0.393 -1.297 1.00 0.00 H new ATOM 0 HA SER A 26 -2.081 -2.291 -2.282 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.478 0.352 -3.773 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.903 -1.130 -4.511 1.00 0.00 H new ATOM 0 HG SER A 26 -4.183 -0.833 -4.799 1.00 0.00 H new ATOM 383 N ALA A 27 0.344 -1.765 -2.187 1.00 0.00 N ATOM 384 CA ALA A 27 1.775 -1.484 -2.134 1.00 0.00 C ATOM 385 C ALA A 27 2.487 -2.205 -3.263 1.00 0.00 C ATOM 386 O ALA A 27 2.152 -3.336 -3.606 1.00 0.00 O ATOM 387 CB ALA A 27 2.373 -1.880 -0.789 1.00 0.00 C ATOM 0 H ALA A 27 0.109 -2.757 -2.180 1.00 0.00 H new ATOM 0 HA ALA A 27 1.913 -0.409 -2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.440 -1.657 -0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.882 -1.320 0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.225 -2.947 -0.625 1.00 0.00 H new ATOM 393 N THR A 28 3.430 -1.512 -3.871 1.00 0.00 N ATOM 394 CA THR A 28 4.164 -2.038 -5.005 1.00 0.00 C ATOM 395 C THR A 28 5.638 -2.194 -4.655 1.00 0.00 C ATOM 396 O THR A 28 6.248 -1.296 -4.079 1.00 0.00 O ATOM 397 CB THR A 28 3.974 -1.101 -6.201 1.00 0.00 C ATOM 398 OG1 THR A 28 2.681 -1.262 -6.756 1.00 0.00 O ATOM 399 CG2 THR A 28 4.976 -1.307 -7.317 1.00 0.00 C ATOM 0 H THR A 28 3.708 -0.571 -3.594 1.00 0.00 H new ATOM 0 HA THR A 28 3.782 -3.025 -5.266 1.00 0.00 H new ATOM 0 HB THR A 28 4.122 -0.100 -5.797 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.574 -0.655 -7.518 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.771 -0.604 -8.124 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.984 -1.139 -6.937 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.896 -2.326 -7.694 1.00 0.00 H new ATOM 407 N ILE A 29 6.200 -3.341 -5.007 1.00 0.00 N ATOM 408 CA ILE A 29 7.590 -3.631 -4.710 1.00 0.00 C ATOM 409 C ILE A 29 8.467 -3.397 -5.921 1.00 0.00 C ATOM 410 O ILE A 29 8.184 -3.876 -7.018 1.00 0.00 O ATOM 411 CB ILE A 29 7.786 -5.086 -4.254 1.00 0.00 C ATOM 412 CG1 ILE A 29 6.568 -5.591 -3.473 1.00 0.00 C ATOM 413 CG2 ILE A 29 9.045 -5.213 -3.415 1.00 0.00 C ATOM 414 CD1 ILE A 29 6.089 -4.624 -2.413 1.00 0.00 C ATOM 0 H ILE A 29 5.710 -4.087 -5.501 1.00 0.00 H new ATOM 0 HA ILE A 29 7.876 -2.957 -3.903 1.00 0.00 H new ATOM 0 HB ILE A 29 7.894 -5.706 -5.144 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.754 -5.786 -4.171 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.817 -6.541 -3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.169 -6.249 -3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.908 -4.907 -4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.962 -4.574 -2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.225 -5.046 -1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.888 -4.448 -1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 29 5.808 -3.681 -2.881 1.00 0.00 H new ATOM 426 N THR A 30 9.551 -2.681 -5.700 1.00 0.00 N ATOM 427 CA THR A 30 10.503 -2.403 -6.756 1.00 0.00 C ATOM 428 C THR A 30 11.930 -2.559 -6.248 1.00 0.00 C ATOM 429 O THR A 30 12.479 -1.657 -5.615 1.00 0.00 O ATOM 430 CB THR A 30 10.284 -0.997 -7.307 1.00 0.00 C ATOM 431 OG1 THR A 30 11.434 -0.543 -7.999 1.00 0.00 O ATOM 432 CG2 THR A 30 9.954 0.024 -6.240 1.00 0.00 C ATOM 0 H THR A 30 9.795 -2.280 -4.795 1.00 0.00 H new ATOM 0 HA THR A 30 10.347 -3.122 -7.560 1.00 0.00 H new ATOM 0 HB THR A 30 9.429 -1.083 -7.977 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.272 0.359 -8.346 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.811 1.001 -6.703 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.040 -0.271 -5.725 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.773 0.079 -5.523 1.00 0.00 H new ATOM 440 N SER A 31 12.525 -3.710 -6.534 1.00 0.00 N ATOM 441 CA SER A 31 13.883 -3.994 -6.108 1.00 0.00 C ATOM 442 C SER A 31 14.838 -3.967 -7.293 1.00 0.00 C ATOM 443 O SER A 31 14.420 -4.110 -8.443 1.00 0.00 O ATOM 444 CB SER A 31 13.951 -5.360 -5.422 1.00 0.00 C ATOM 445 OG SER A 31 12.672 -5.969 -5.368 1.00 0.00 O ATOM 0 H SER A 31 12.083 -4.463 -7.062 1.00 0.00 H new ATOM 0 HA SER A 31 14.183 -3.222 -5.399 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.643 -6.007 -5.961 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.345 -5.244 -4.412 1.00 0.00 H new ATOM 0 HG SER A 31 12.084 -5.444 -4.786 1.00 0.00 H new ATOM 451 N GLY A 32 16.121 -3.792 -7.009 1.00 0.00 N ATOM 452 CA GLY A 32 17.111 -3.769 -8.065 1.00 0.00 C ATOM 453 C GLY A 32 17.037 -5.001 -8.946 1.00 0.00 C ATOM 454 O GLY A 32 17.100 -4.903 -10.170 1.00 0.00 O ATOM 0 H GLY A 32 16.493 -3.666 -6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.967 -2.878 -8.676 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.106 -3.697 -7.626 1.00 0.00 H new ATOM 458 N GLU A 33 16.877 -6.163 -8.317 1.00 0.00 N ATOM 459 CA GLU A 33 16.801 -7.419 -9.030 1.00 0.00 C ATOM 460 C GLU A 33 15.677 -7.424 -10.059 1.00 0.00 C ATOM 461 O GLU A 33 15.921 -7.328 -11.262 1.00 0.00 O ATOM 462 CB GLU A 33 16.608 -8.542 -8.040 1.00 0.00 C ATOM 463 CG GLU A 33 17.720 -9.562 -8.098 1.00 0.00 C ATOM 464 CD GLU A 33 17.228 -10.955 -8.438 1.00 0.00 C ATOM 465 OE1 GLU A 33 16.042 -11.246 -8.176 1.00 0.00 O ATOM 466 OE2 GLU A 33 18.029 -11.754 -8.966 1.00 0.00 O ATOM 0 H GLU A 33 16.798 -6.252 -7.304 1.00 0.00 H new ATOM 0 HA GLU A 33 17.735 -7.558 -9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 33 16.551 -8.128 -7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 33 15.656 -9.035 -8.236 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.453 -9.250 -8.842 1.00 0.00 H new ATOM 0 HG3 GLU A 33 18.232 -9.588 -7.136 1.00 0.00 H new ATOM 473 N GLN A 34 14.444 -7.558 -9.579 1.00 0.00 N ATOM 474 CA GLN A 34 13.282 -7.600 -10.456 1.00 0.00 C ATOM 475 C GLN A 34 12.131 -6.774 -9.891 1.00 0.00 C ATOM 476 O GLN A 34 11.170 -7.318 -9.347 1.00 0.00 O ATOM 477 CB GLN A 34 12.832 -9.046 -10.662 1.00 0.00 C ATOM 478 CG GLN A 34 11.870 -9.224 -11.825 1.00 0.00 C ATOM 479 CD GLN A 34 11.633 -10.681 -12.170 1.00 0.00 C ATOM 480 OE1 GLN A 34 11.088 -11.440 -11.368 1.00 0.00 O ATOM 481 NE2 GLN A 34 12.043 -11.080 -13.368 1.00 0.00 N ATOM 0 H GLN A 34 14.225 -7.639 -8.586 1.00 0.00 H new ATOM 0 HA GLN A 34 13.570 -7.170 -11.415 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.710 -9.671 -10.828 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.355 -9.403 -9.749 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.918 -8.754 -11.579 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.264 -8.707 -12.700 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.490 -10.417 -14.001 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.911 -12.050 -13.655 1.00 0.00 H new ATOM 490 N SER A 35 12.234 -5.458 -10.032 1.00 0.00 N ATOM 491 CA SER A 35 11.201 -4.547 -9.550 1.00 0.00 C ATOM 492 C SER A 35 9.975 -4.590 -10.457 1.00 0.00 C ATOM 493 O SER A 35 10.074 -4.352 -11.660 1.00 0.00 O ATOM 494 CB SER A 35 11.752 -3.120 -9.493 1.00 0.00 C ATOM 495 OG SER A 35 12.338 -2.749 -10.728 1.00 0.00 O ATOM 0 H SER A 35 13.026 -4.995 -10.478 1.00 0.00 H new ATOM 0 HA SER A 35 10.903 -4.862 -8.550 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.948 -2.426 -9.246 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.494 -3.045 -8.698 1.00 0.00 H new ATOM 0 HG SER A 35 11.838 -3.160 -11.464 1.00 0.00 H new ATOM 501 N GLY A 36 8.820 -4.889 -9.871 1.00 0.00 N ATOM 502 CA GLY A 36 7.594 -4.953 -10.644 1.00 0.00 C ATOM 503 C GLY A 36 6.585 -5.917 -10.052 1.00 0.00 C ATOM 504 O GLY A 36 6.029 -6.756 -10.761 1.00 0.00 O ATOM 0 H GLY A 36 8.712 -5.088 -8.876 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.152 -3.958 -10.701 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.827 -5.257 -11.664 1.00 0.00 H new ATOM 508 N ALA A 37 6.348 -5.799 -8.750 1.00 0.00 N ATOM 509 CA ALA A 37 5.399 -6.668 -8.065 1.00 0.00 C ATOM 510 C ALA A 37 4.480 -5.866 -7.149 1.00 0.00 C ATOM 511 O ALA A 37 4.943 -5.121 -6.287 1.00 0.00 O ATOM 512 CB ALA A 37 6.137 -7.737 -7.274 1.00 0.00 C ATOM 0 H ALA A 37 6.800 -5.110 -8.148 1.00 0.00 H new ATOM 0 HA ALA A 37 4.780 -7.154 -8.819 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.415 -8.378 -6.768 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.743 -8.338 -7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.782 -7.262 -6.534 1.00 0.00 H new ATOM 518 N VAL A 38 3.176 -6.039 -7.331 1.00 0.00 N ATOM 519 CA VAL A 38 2.191 -5.330 -6.524 1.00 0.00 C ATOM 520 C VAL A 38 1.650 -6.218 -5.407 1.00 0.00 C ATOM 521 O VAL A 38 1.114 -7.297 -5.660 1.00 0.00 O ATOM 522 CB VAL A 38 1.012 -4.832 -7.381 1.00 0.00 C ATOM 523 CG1 VAL A 38 0.266 -6.005 -7.997 1.00 0.00 C ATOM 524 CG2 VAL A 38 0.074 -3.970 -6.550 1.00 0.00 C ATOM 0 H VAL A 38 2.776 -6.664 -8.031 1.00 0.00 H new ATOM 0 HA VAL A 38 2.703 -4.472 -6.088 1.00 0.00 H new ATOM 0 HB VAL A 38 1.409 -4.219 -8.190 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.563 -5.633 -8.599 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.945 -6.577 -8.629 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.120 -6.647 -7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.753 -3.627 -7.172 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.317 -4.556 -5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.618 -3.108 -6.163 1.00 0.00 H new ATOM 534 N ILE A 39 1.795 -5.752 -4.173 1.00 0.00 N ATOM 535 CA ILE A 39 1.325 -6.492 -3.009 1.00 0.00 C ATOM 536 C ILE A 39 0.327 -5.673 -2.200 1.00 0.00 C ATOM 537 O ILE A 39 0.329 -4.443 -2.256 1.00 0.00 O ATOM 538 CB ILE A 39 2.492 -6.892 -2.086 1.00 0.00 C ATOM 539 CG1 ILE A 39 3.160 -5.652 -1.492 1.00 0.00 C ATOM 540 CG2 ILE A 39 3.506 -7.740 -2.842 1.00 0.00 C ATOM 541 CD1 ILE A 39 2.657 -5.315 -0.109 1.00 0.00 C ATOM 0 H ILE A 39 2.237 -4.860 -3.952 1.00 0.00 H new ATOM 0 HA ILE A 39 0.839 -7.391 -3.388 1.00 0.00 H new ATOM 0 HB ILE A 39 2.091 -7.488 -1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.238 -5.811 -1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.988 -4.802 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.323 -8.013 -2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.021 -8.644 -3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.901 -7.171 -3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.169 -4.426 0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.584 -5.126 -0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.854 -6.150 0.563 1.00 0.00 H new ATOM 553 N ARG A 40 -0.507 -6.360 -1.428 1.00 0.00 N ATOM 554 CA ARG A 40 -1.474 -5.691 -0.570 1.00 0.00 C ATOM 555 C ARG A 40 -0.944 -5.627 0.855 1.00 0.00 C ATOM 556 O ARG A 40 -0.329 -6.574 1.343 1.00 0.00 O ATOM 557 CB ARG A 40 -2.824 -6.417 -0.597 1.00 0.00 C ATOM 558 CG ARG A 40 -3.801 -5.933 0.469 1.00 0.00 C ATOM 559 CD ARG A 40 -5.232 -5.938 -0.043 1.00 0.00 C ATOM 560 NE ARG A 40 -5.568 -7.189 -0.717 1.00 0.00 N ATOM 561 CZ ARG A 40 -6.662 -7.361 -1.450 1.00 0.00 C ATOM 562 NH1 ARG A 40 -7.525 -6.366 -1.601 1.00 0.00 N ATOM 563 NH2 ARG A 40 -6.897 -8.529 -2.032 1.00 0.00 N ATOM 0 H ARG A 40 -0.532 -7.379 -1.379 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.624 -4.678 -0.944 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.278 -6.286 -1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.655 -7.486 -0.464 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.726 -6.572 1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.529 -4.925 0.782 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.916 -5.781 0.791 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.373 -5.106 -0.732 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.926 -7.976 -0.619 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.349 -5.466 -1.154 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.365 -6.500 -2.164 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.237 -9.298 -1.917 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.738 -8.658 -2.594 1.00 0.00 H new ATOM 577 N GLY A 41 -1.177 -4.501 1.512 1.00 0.00 N ATOM 578 CA GLY A 41 -0.709 -4.334 2.872 1.00 0.00 C ATOM 579 C GLY A 41 -0.613 -2.880 3.264 1.00 0.00 C ATOM 580 O GLY A 41 -0.442 -2.014 2.407 1.00 0.00 O ATOM 0 H GLY A 41 -1.681 -3.701 1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.386 -4.849 3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.269 -4.803 2.979 1.00 0.00 H new ATOM 584 N VAL A 42 -0.751 -2.600 4.554 1.00 0.00 N ATOM 585 CA VAL A 42 -0.723 -1.226 5.025 1.00 0.00 C ATOM 586 C VAL A 42 0.339 -1.020 6.104 1.00 0.00 C ATOM 587 O VAL A 42 1.012 -1.954 6.520 1.00 0.00 O ATOM 588 CB VAL A 42 -2.143 -0.778 5.502 1.00 0.00 C ATOM 589 CG1 VAL A 42 -2.205 -0.348 6.972 1.00 0.00 C ATOM 590 CG2 VAL A 42 -2.649 0.336 4.602 1.00 0.00 C ATOM 0 H VAL A 42 -0.882 -3.300 5.284 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.440 -0.587 4.188 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.787 -1.654 5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.224 -0.053 7.222 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.902 -1.180 7.608 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.533 0.495 7.133 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.639 0.650 4.933 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.965 1.183 4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.707 -0.024 3.575 1.00 0.00 H new ATOM 600 N PHE A 43 0.437 0.220 6.558 1.00 0.00 N ATOM 601 CA PHE A 43 1.398 0.622 7.569 1.00 0.00 C ATOM 602 C PHE A 43 0.820 0.469 8.974 1.00 0.00 C ATOM 603 O PHE A 43 -0.354 0.760 9.209 1.00 0.00 O ATOM 604 CB PHE A 43 1.754 2.081 7.304 1.00 0.00 C ATOM 605 CG PHE A 43 2.502 2.774 8.405 1.00 0.00 C ATOM 606 CD1 PHE A 43 1.862 3.126 9.583 1.00 0.00 C ATOM 607 CD2 PHE A 43 3.827 3.139 8.233 1.00 0.00 C ATOM 608 CE1 PHE A 43 2.541 3.790 10.585 1.00 0.00 C ATOM 609 CE2 PHE A 43 4.510 3.807 9.230 1.00 0.00 C ATOM 610 CZ PHE A 43 3.865 4.134 10.407 1.00 0.00 C ATOM 0 H PHE A 43 -0.156 0.983 6.230 1.00 0.00 H new ATOM 0 HA PHE A 43 2.282 -0.013 7.514 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.352 2.131 6.394 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.834 2.632 7.111 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.820 2.878 9.719 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.332 2.898 7.309 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.036 4.040 11.507 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.547 4.073 9.090 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.397 4.658 11.187 1.00 0.00 H new ATOM 620 N ASP A 44 1.653 0.015 9.903 1.00 0.00 N ATOM 621 CA ASP A 44 1.232 -0.169 11.288 1.00 0.00 C ATOM 622 C ASP A 44 2.187 0.542 12.241 1.00 0.00 C ATOM 623 O ASP A 44 3.402 0.524 12.044 1.00 0.00 O ATOM 624 CB ASP A 44 1.166 -1.660 11.628 1.00 0.00 C ATOM 625 CG ASP A 44 0.060 -1.982 12.613 1.00 0.00 C ATOM 626 OD1 ASP A 44 -1.020 -1.364 12.515 1.00 0.00 O ATOM 627 OD2 ASP A 44 0.275 -2.854 13.482 1.00 0.00 O ATOM 0 H ASP A 44 2.626 -0.233 9.722 1.00 0.00 H new ATOM 0 HA ASP A 44 0.239 0.266 11.404 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.011 -2.232 10.713 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.122 -1.977 12.044 1.00 0.00 H new ATOM 632 N ASP A 45 1.632 1.174 13.271 1.00 0.00 N ATOM 633 CA ASP A 45 2.441 1.901 14.244 1.00 0.00 C ATOM 634 C ASP A 45 2.317 1.280 15.637 1.00 0.00 C ATOM 635 O ASP A 45 1.295 1.442 16.305 1.00 0.00 O ATOM 636 CB ASP A 45 2.010 3.368 14.292 1.00 0.00 C ATOM 637 CG ASP A 45 0.504 3.531 14.230 1.00 0.00 C ATOM 638 OD1 ASP A 45 -0.212 2.611 14.676 1.00 0.00 O ATOM 639 OD2 ASP A 45 0.041 4.580 13.734 1.00 0.00 O ATOM 0 H ASP A 45 0.629 1.198 13.453 1.00 0.00 H new ATOM 0 HA ASP A 45 3.483 1.839 13.931 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.384 3.824 15.209 1.00 0.00 H new ATOM 0 HB3 ASP A 45 2.465 3.905 13.460 1.00 0.00 H new ATOM 644 N PRO A 46 3.367 0.583 16.109 1.00 0.00 N ATOM 645 CA PRO A 46 3.366 -0.057 17.428 1.00 0.00 C ATOM 646 C PRO A 46 3.412 0.961 18.564 1.00 0.00 C ATOM 647 O PRO A 46 2.774 0.777 19.601 1.00 0.00 O ATOM 648 CB PRO A 46 4.644 -0.909 17.433 1.00 0.00 C ATOM 649 CG PRO A 46 5.121 -0.931 16.018 1.00 0.00 C ATOM 650 CD PRO A 46 4.621 0.334 15.388 1.00 0.00 C ATOM 0 HA PRO A 46 2.456 -0.636 17.588 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.398 -0.480 18.094 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.441 -1.917 17.793 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.209 -0.984 15.975 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.738 -1.806 15.492 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.328 1.154 15.511 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.455 0.215 14.317 1.00 0.00 H new ATOM 658 N GLU A 47 4.180 2.027 18.365 1.00 0.00 N ATOM 659 CA GLU A 47 4.323 3.067 19.377 1.00 0.00 C ATOM 660 C GLU A 47 3.588 4.338 18.968 1.00 0.00 C ATOM 661 O GLU A 47 4.139 5.437 19.044 1.00 0.00 O ATOM 662 CB GLU A 47 5.802 3.376 19.610 1.00 0.00 C ATOM 663 CG GLU A 47 6.131 3.719 21.052 1.00 0.00 C ATOM 664 CD GLU A 47 6.306 2.488 21.920 1.00 0.00 C ATOM 665 OE1 GLU A 47 5.297 1.802 22.187 1.00 0.00 O ATOM 666 OE2 GLU A 47 7.452 2.209 22.331 1.00 0.00 O ATOM 0 H GLU A 47 4.713 2.193 17.512 1.00 0.00 H new ATOM 0 HA GLU A 47 3.881 2.698 20.302 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.397 2.515 19.305 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.096 4.209 18.971 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.045 4.312 21.081 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.335 4.339 21.464 1.00 0.00 H new ATOM 673 N ASN A 48 2.339 4.184 18.540 1.00 0.00 N ATOM 674 CA ASN A 48 1.530 5.324 18.125 1.00 0.00 C ATOM 675 C ASN A 48 1.266 6.260 19.300 1.00 0.00 C ATOM 676 O ASN A 48 1.120 5.816 20.439 1.00 0.00 O ATOM 677 CB ASN A 48 0.203 4.844 17.534 1.00 0.00 C ATOM 678 CG ASN A 48 -0.446 5.888 16.645 1.00 0.00 C ATOM 679 OD1 ASN A 48 0.099 6.261 15.606 1.00 0.00 O ATOM 680 ND2 ASN A 48 -1.617 6.365 17.051 1.00 0.00 N ATOM 0 H ASN A 48 1.866 3.283 18.472 1.00 0.00 H new ATOM 0 HA ASN A 48 2.083 5.873 17.363 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.373 3.935 16.957 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.480 4.585 18.343 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.101 7.069 16.495 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.032 6.027 17.919 1.00 0.00 H new ATOM 687 N ILE A 49 1.206 7.557 19.016 1.00 0.00 N ATOM 688 CA ILE A 49 0.957 8.555 20.051 1.00 0.00 C ATOM 689 C ILE A 49 -0.526 8.628 20.397 1.00 0.00 C ATOM 690 O ILE A 49 -1.384 8.479 19.528 1.00 0.00 O ATOM 691 CB ILE A 49 1.441 9.951 19.615 1.00 0.00 C ATOM 692 CG1 ILE A 49 1.294 10.947 20.766 1.00 0.00 C ATOM 693 CG2 ILE A 49 0.666 10.425 18.396 1.00 0.00 C ATOM 694 CD1 ILE A 49 2.128 12.198 20.593 1.00 0.00 C ATOM 0 H ILE A 49 1.326 7.942 18.079 1.00 0.00 H new ATOM 0 HA ILE A 49 1.519 8.244 20.932 1.00 0.00 H new ATOM 0 HB ILE A 49 2.496 9.886 19.347 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.245 11.229 20.860 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.577 10.457 21.698 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.020 11.413 18.101 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.817 9.725 17.574 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.396 10.478 18.638 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.974 12.859 21.446 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.182 11.927 20.529 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.830 12.711 19.679 1.00 0.00 H new ATOM 706 N SER A 50 -0.821 8.856 21.674 1.00 0.00 N ATOM 707 CA SER A 50 -2.201 8.940 22.135 1.00 0.00 C ATOM 708 C SER A 50 -2.944 7.639 21.855 1.00 0.00 C ATOM 709 O SER A 50 -4.164 7.631 21.690 1.00 0.00 O ATOM 710 CB SER A 50 -2.919 10.106 21.452 1.00 0.00 C ATOM 711 OG SER A 50 -4.253 10.228 21.916 1.00 0.00 O ATOM 0 H SER A 50 -0.123 8.986 22.406 1.00 0.00 H new ATOM 0 HA SER A 50 -2.190 9.110 23.212 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.378 11.033 21.644 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.919 9.955 20.373 1.00 0.00 H new ATOM 0 HG SER A 50 -4.653 9.337 22.001 1.00 0.00 H new ATOM 717 N TYR A 51 -2.198 6.541 21.800 1.00 0.00 N ATOM 718 CA TYR A 51 -2.781 5.232 21.532 1.00 0.00 C ATOM 719 C TYR A 51 -3.653 4.769 22.694 1.00 0.00 C ATOM 720 O TYR A 51 -3.366 3.757 23.333 1.00 0.00 O ATOM 721 CB TYR A 51 -1.677 4.205 21.269 1.00 0.00 C ATOM 722 CG TYR A 51 -2.194 2.848 20.852 1.00 0.00 C ATOM 723 CD1 TYR A 51 -3.297 2.731 20.014 1.00 0.00 C ATOM 724 CD2 TYR A 51 -1.580 1.682 21.294 1.00 0.00 C ATOM 725 CE1 TYR A 51 -3.773 1.491 19.629 1.00 0.00 C ATOM 726 CE2 TYR A 51 -2.050 0.440 20.914 1.00 0.00 C ATOM 727 CZ TYR A 51 -3.146 0.349 20.082 1.00 0.00 C ATOM 728 OH TYR A 51 -3.616 -0.886 19.702 1.00 0.00 O ATOM 0 H TYR A 51 -1.187 6.532 21.938 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.410 5.320 20.646 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.016 4.587 20.491 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.075 4.093 22.171 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.790 3.623 19.658 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.721 1.748 21.945 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.631 1.417 18.977 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.561 -0.456 21.267 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.062 -1.586 20.107 1.00 0.00 H new ATOM 738 N ALA A 52 -4.721 5.514 22.960 1.00 0.00 N ATOM 739 CA ALA A 52 -5.642 5.173 24.038 1.00 0.00 C ATOM 740 C ALA A 52 -4.978 5.321 25.402 1.00 0.00 C ATOM 741 O ALA A 52 -5.353 6.185 26.194 1.00 0.00 O ATOM 742 CB ALA A 52 -6.164 3.757 23.855 1.00 0.00 C ATOM 0 H ALA A 52 -4.970 6.358 22.444 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.480 5.868 23.997 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.850 3.515 24.666 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.688 3.683 22.902 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.329 3.057 23.865 1.00 0.00 H new ATOM 748 N GLY A 53 -3.999 4.468 25.675 1.00 0.00 N ATOM 749 CA GLY A 53 -3.316 4.517 26.951 1.00 0.00 C ATOM 750 C GLY A 53 -2.343 5.675 27.048 1.00 0.00 C ATOM 751 O GLY A 53 -2.439 6.499 27.958 1.00 0.00 O ATOM 0 H GLY A 53 -3.667 3.745 25.037 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.053 4.599 27.750 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.778 3.582 27.107 1.00 0.00 H new ATOM 755 N GLN A 54 -1.402 5.736 26.113 1.00 0.00 N ATOM 756 CA GLN A 54 -0.405 6.800 26.103 1.00 0.00 C ATOM 757 C GLN A 54 0.567 6.642 27.267 1.00 0.00 C ATOM 758 O GLN A 54 0.160 6.353 28.392 1.00 0.00 O ATOM 759 CB GLN A 54 -1.087 8.168 26.172 1.00 0.00 C ATOM 760 CG GLN A 54 -0.288 9.280 25.512 1.00 0.00 C ATOM 761 CD GLN A 54 -0.912 10.646 25.718 1.00 0.00 C ATOM 762 OE1 GLN A 54 -1.310 10.999 26.829 1.00 0.00 O ATOM 763 NE2 GLN A 54 -1.003 11.423 24.645 1.00 0.00 N ATOM 0 H GLN A 54 -1.308 5.062 25.353 1.00 0.00 H new ATOM 0 HA GLN A 54 0.157 6.731 25.172 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.065 8.102 25.695 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.259 8.427 27.217 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.725 9.283 25.914 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.206 9.079 24.444 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.660 11.090 23.744 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -1.416 12.353 24.722 1.00 0.00 H new ATOM 772 N GLY A 55 1.853 6.828 26.989 1.00 0.00 N ATOM 773 CA GLY A 55 2.862 6.698 28.023 1.00 0.00 C ATOM 774 C GLY A 55 3.119 5.252 28.401 1.00 0.00 C ATOM 775 O GLY A 55 3.351 4.940 29.569 1.00 0.00 O ATOM 0 H GLY A 55 2.214 7.067 26.065 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.792 7.152 27.679 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.546 7.251 28.907 1.00 0.00 H new ATOM 779 N VAL A 56 3.076 4.368 27.409 1.00 0.00 N ATOM 780 CA VAL A 56 3.304 2.947 27.642 1.00 0.00 C ATOM 781 C VAL A 56 4.114 2.328 26.508 1.00 0.00 C ATOM 782 O VAL A 56 3.595 2.095 25.415 1.00 0.00 O ATOM 783 CB VAL A 56 1.978 2.180 27.789 1.00 0.00 C ATOM 784 CG1 VAL A 56 1.389 2.389 29.176 1.00 0.00 C ATOM 785 CG2 VAL A 56 0.991 2.609 26.713 1.00 0.00 C ATOM 0 H VAL A 56 2.885 4.611 26.437 1.00 0.00 H new ATOM 0 HA VAL A 56 3.865 2.866 28.573 1.00 0.00 H new ATOM 0 HB VAL A 56 2.180 1.116 27.662 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.452 1.839 29.260 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.091 2.027 29.928 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.202 3.451 29.336 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.059 2.056 26.833 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.794 3.677 26.805 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.412 2.401 25.729 1.00 0.00 H new ATOM 795 N ARG A 57 5.389 2.064 26.774 1.00 0.00 N ATOM 796 CA ARG A 57 6.274 1.477 25.775 1.00 0.00 C ATOM 797 C ARG A 57 6.176 -0.045 25.782 1.00 0.00 C ATOM 798 O ARG A 57 6.787 -0.713 26.617 1.00 0.00 O ATOM 799 CB ARG A 57 7.720 1.907 26.033 1.00 0.00 C ATOM 800 CG ARG A 57 7.862 3.383 26.374 1.00 0.00 C ATOM 801 CD ARG A 57 7.696 4.256 25.142 1.00 0.00 C ATOM 802 NE ARG A 57 8.974 4.770 24.658 1.00 0.00 N ATOM 803 CZ ARG A 57 9.090 5.600 23.627 1.00 0.00 C ATOM 804 NH1 ARG A 57 8.009 6.009 22.978 1.00 0.00 N ATOM 805 NH2 ARG A 57 10.288 6.023 23.244 1.00 0.00 N ATOM 0 H ARG A 57 5.833 2.248 27.674 1.00 0.00 H new ATOM 0 HA ARG A 57 5.962 1.836 24.794 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.127 1.312 26.851 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.319 1.687 25.150 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.117 3.659 27.120 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.840 3.562 26.820 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.215 3.680 24.352 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.035 5.091 25.376 1.00 0.00 H new ATOM 0 HE ARG A 57 9.825 4.476 25.138 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.086 5.687 23.270 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.100 6.646 22.187 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.122 5.711 23.741 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.375 6.660 22.452 1.00 0.00 H new ATOM 819 N VAL A 58 5.408 -0.586 24.844 1.00 0.00 N ATOM 820 CA VAL A 58 5.238 -2.030 24.733 1.00 0.00 C ATOM 821 C VAL A 58 6.217 -2.616 23.723 1.00 0.00 C ATOM 822 O VAL A 58 5.883 -3.537 22.979 1.00 0.00 O ATOM 823 CB VAL A 58 3.805 -2.401 24.320 1.00 0.00 C ATOM 824 CG1 VAL A 58 3.480 -1.835 22.946 1.00 0.00 C ATOM 825 CG2 VAL A 58 3.614 -3.910 24.343 1.00 0.00 C ATOM 0 H VAL A 58 4.893 -0.046 24.149 1.00 0.00 H new ATOM 0 HA VAL A 58 5.438 -2.450 25.719 1.00 0.00 H new ATOM 0 HB VAL A 58 3.115 -1.961 25.040 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.461 -2.109 22.672 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.570 -0.749 22.969 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.175 -2.241 22.211 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.593 -4.152 24.048 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.313 -4.376 23.648 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.799 -4.285 25.350 1.00 0.00 H new ATOM 835 N GLU A 59 7.432 -2.074 23.705 1.00 0.00 N ATOM 836 CA GLU A 59 8.467 -2.532 22.780 1.00 0.00 C ATOM 837 C GLU A 59 8.192 -2.031 21.367 1.00 0.00 C ATOM 838 O GLU A 59 7.819 -2.803 20.484 1.00 0.00 O ATOM 839 CB GLU A 59 8.558 -4.061 22.782 1.00 0.00 C ATOM 840 CG GLU A 59 8.539 -4.670 24.173 1.00 0.00 C ATOM 841 CD GLU A 59 9.457 -5.870 24.297 1.00 0.00 C ATOM 842 OE1 GLU A 59 9.576 -6.631 23.313 1.00 0.00 O ATOM 843 OE2 GLU A 59 10.058 -6.048 25.378 1.00 0.00 O ATOM 0 H GLU A 59 7.725 -1.316 24.321 1.00 0.00 H new ATOM 0 HA GLU A 59 9.420 -2.123 23.117 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.727 -4.467 22.206 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.475 -4.363 22.275 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.835 -3.914 24.900 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.521 -4.969 24.421 1.00 0.00 H new ATOM 850 N GLY A 60 8.380 -0.732 21.161 1.00 0.00 N ATOM 851 CA GLY A 60 8.153 -0.147 19.853 1.00 0.00 C ATOM 852 C GLY A 60 9.279 0.775 19.428 1.00 0.00 C ATOM 853 O GLY A 60 10.086 1.201 20.254 1.00 0.00 O ATOM 0 H GLY A 60 8.686 -0.073 21.877 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.041 -0.943 19.117 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.216 0.410 19.865 1.00 0.00 H new ATOM 857 N SER A 61 9.335 1.082 18.137 1.00 0.00 N ATOM 858 CA SER A 61 10.370 1.960 17.605 1.00 0.00 C ATOM 859 C SER A 61 10.068 2.345 16.161 1.00 0.00 C ATOM 860 O SER A 61 10.191 3.509 15.779 1.00 0.00 O ATOM 861 CB SER A 61 11.738 1.280 17.688 1.00 0.00 C ATOM 862 OG SER A 61 12.423 1.654 18.871 1.00 0.00 O ATOM 0 H SER A 61 8.676 0.736 17.440 1.00 0.00 H new ATOM 0 HA SER A 61 10.386 2.868 18.208 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.612 0.198 17.664 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.335 1.550 16.817 1.00 0.00 H new ATOM 0 HG SER A 61 11.807 1.614 19.632 1.00 0.00 H new ATOM 868 N SER A 62 9.670 1.359 15.362 1.00 0.00 N ATOM 869 CA SER A 62 9.346 1.596 13.961 1.00 0.00 C ATOM 870 C SER A 62 7.998 0.977 13.608 1.00 0.00 C ATOM 871 O SER A 62 7.445 0.194 14.379 1.00 0.00 O ATOM 872 CB SER A 62 10.437 1.020 13.059 1.00 0.00 C ATOM 873 OG SER A 62 11.343 0.222 13.801 1.00 0.00 O ATOM 0 H SER A 62 9.565 0.390 15.662 1.00 0.00 H new ATOM 0 HA SER A 62 9.287 2.673 13.802 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.982 0.421 12.270 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.977 1.832 12.572 1.00 0.00 H new ATOM 0 HG SER A 62 11.085 -0.720 13.728 1.00 0.00 H new ATOM 879 N PRO A 63 7.471 1.287 12.414 1.00 0.00 N ATOM 880 CA PRO A 63 6.185 0.786 11.965 1.00 0.00 C ATOM 881 C PRO A 63 6.305 -0.402 11.038 1.00 0.00 C ATOM 882 O PRO A 63 7.143 -0.411 10.136 1.00 0.00 O ATOM 883 CB PRO A 63 5.645 1.955 11.181 1.00 0.00 C ATOM 884 CG PRO A 63 6.851 2.596 10.572 1.00 0.00 C ATOM 885 CD PRO A 63 8.040 2.222 11.433 1.00 0.00 C ATOM 0 HA PRO A 63 5.570 0.447 12.799 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.942 1.627 10.415 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.110 2.651 11.827 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.994 2.251 9.548 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.732 3.679 10.530 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.831 1.756 10.845 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.476 3.096 11.917 1.00 0.00 H new ATOM 893 N SER A 64 5.446 -1.394 11.233 1.00 0.00 N ATOM 894 CA SER A 64 5.468 -2.583 10.397 1.00 0.00 C ATOM 895 C SER A 64 4.288 -2.600 9.447 1.00 0.00 C ATOM 896 O SER A 64 3.337 -1.838 9.604 1.00 0.00 O ATOM 897 CB SER A 64 5.489 -3.853 11.251 1.00 0.00 C ATOM 898 OG SER A 64 4.881 -3.632 12.512 1.00 0.00 O ATOM 0 H SER A 64 4.730 -1.398 11.959 1.00 0.00 H new ATOM 0 HA SER A 64 6.382 -2.556 9.804 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.967 -4.655 10.728 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.518 -4.182 11.393 1.00 0.00 H new ATOM 0 HG SER A 64 4.906 -4.459 13.037 1.00 0.00 H new ATOM 904 N LEU A 65 4.374 -3.455 8.442 1.00 0.00 N ATOM 905 CA LEU A 65 3.346 -3.530 7.425 1.00 0.00 C ATOM 906 C LEU A 65 2.643 -4.884 7.457 1.00 0.00 C ATOM 907 O LEU A 65 3.277 -5.919 7.661 1.00 0.00 O ATOM 908 CB LEU A 65 3.952 -3.297 6.042 1.00 0.00 C ATOM 909 CG LEU A 65 2.966 -3.450 4.881 1.00 0.00 C ATOM 910 CD1 LEU A 65 2.572 -2.088 4.332 1.00 0.00 C ATOM 911 CD2 LEU A 65 3.561 -4.317 3.783 1.00 0.00 C ATOM 0 H LEU A 65 5.148 -4.107 8.311 1.00 0.00 H new ATOM 0 HA LEU A 65 2.611 -2.752 7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.378 -2.294 6.010 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.775 -3.997 5.897 1.00 0.00 H new ATOM 0 HG LEU A 65 2.069 -3.942 5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.871 -2.217 3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.101 -1.500 5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.461 -1.569 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.845 -4.413 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.475 -3.855 3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.790 -5.305 4.183 1.00 0.00 H new ATOM 923 N PHE A 66 1.328 -4.863 7.278 1.00 0.00 N ATOM 924 CA PHE A 66 0.537 -6.087 7.266 1.00 0.00 C ATOM 925 C PHE A 66 0.371 -6.574 5.836 1.00 0.00 C ATOM 926 O PHE A 66 -0.133 -5.848 4.985 1.00 0.00 O ATOM 927 CB PHE A 66 -0.836 -5.846 7.897 1.00 0.00 C ATOM 928 CG PHE A 66 -0.886 -6.152 9.366 1.00 0.00 C ATOM 929 CD1 PHE A 66 -0.744 -7.453 9.822 1.00 0.00 C ATOM 930 CD2 PHE A 66 -1.084 -5.140 10.291 1.00 0.00 C ATOM 931 CE1 PHE A 66 -0.792 -7.738 11.174 1.00 0.00 C ATOM 932 CE2 PHE A 66 -1.135 -5.418 11.644 1.00 0.00 C ATOM 933 CZ PHE A 66 -0.988 -6.719 12.085 1.00 0.00 C ATOM 0 H PHE A 66 0.786 -4.010 7.139 1.00 0.00 H new ATOM 0 HA PHE A 66 1.057 -6.846 7.850 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.120 -4.805 7.742 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.576 -6.459 7.382 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.594 -8.254 9.113 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.200 -4.122 9.951 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.676 -8.756 11.517 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.289 -4.620 12.355 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.026 -6.939 13.142 1.00 0.00 H new ATOM 943 N VAL A 67 0.826 -7.788 5.567 1.00 0.00 N ATOM 944 CA VAL A 67 0.774 -8.324 4.216 1.00 0.00 C ATOM 945 C VAL A 67 -0.012 -9.629 4.145 1.00 0.00 C ATOM 946 O VAL A 67 -0.209 -10.311 5.152 1.00 0.00 O ATOM 947 CB VAL A 67 2.194 -8.555 3.668 1.00 0.00 C ATOM 948 CG1 VAL A 67 2.885 -9.678 4.426 1.00 0.00 C ATOM 949 CG2 VAL A 67 2.148 -8.847 2.175 1.00 0.00 C ATOM 0 H VAL A 67 1.232 -8.416 6.260 1.00 0.00 H new ATOM 0 HA VAL A 67 0.259 -7.583 3.604 1.00 0.00 H new ATOM 0 HB VAL A 67 2.775 -7.645 3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.887 -9.826 4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.953 -9.416 5.482 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.311 -10.598 4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.160 -9.008 1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.550 -9.741 1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.700 -8.002 1.653 1.00 0.00 H new ATOM 959 N ARG A 68 -0.456 -9.966 2.939 1.00 0.00 N ATOM 960 CA ARG A 68 -1.214 -11.188 2.707 1.00 0.00 C ATOM 961 C ARG A 68 -0.688 -11.911 1.471 1.00 0.00 C ATOM 962 O ARG A 68 -1.375 -12.005 0.454 1.00 0.00 O ATOM 963 CB ARG A 68 -2.700 -10.865 2.528 1.00 0.00 C ATOM 964 CG ARG A 68 -3.477 -10.827 3.834 1.00 0.00 C ATOM 965 CD ARG A 68 -3.370 -9.469 4.509 1.00 0.00 C ATOM 966 NE ARG A 68 -4.308 -9.332 5.618 1.00 0.00 N ATOM 967 CZ ARG A 68 -5.588 -9.003 5.467 1.00 0.00 C ATOM 968 NH1 ARG A 68 -6.079 -8.779 4.256 1.00 0.00 N ATOM 969 NH2 ARG A 68 -6.377 -8.899 6.527 1.00 0.00 N ATOM 0 H ARG A 68 -0.302 -9.404 2.102 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.095 -11.838 3.574 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.796 -9.900 2.030 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.148 -11.609 1.870 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.525 -11.057 3.641 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.100 -11.598 4.505 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.353 -9.326 4.875 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.559 -8.684 3.776 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.963 -9.498 6.563 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.475 -8.859 3.438 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.061 -8.527 4.142 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.003 -9.071 7.460 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.358 -8.647 6.410 1.00 0.00 H new ATOM 983 N THR A 69 0.556 -12.382 1.551 1.00 0.00 N ATOM 984 CA THR A 69 1.197 -13.069 0.443 1.00 0.00 C ATOM 985 C THR A 69 2.690 -13.212 0.712 1.00 0.00 C ATOM 986 O THR A 69 3.387 -12.224 0.941 1.00 0.00 O ATOM 987 CB THR A 69 0.977 -12.311 -0.870 1.00 0.00 C ATOM 988 OG1 THR A 69 1.977 -12.648 -1.816 1.00 0.00 O ATOM 989 CG2 THR A 69 0.990 -10.807 -0.703 1.00 0.00 C ATOM 0 H THR A 69 1.140 -12.296 2.383 1.00 0.00 H new ATOM 0 HA THR A 69 0.750 -14.059 0.350 1.00 0.00 H new ATOM 0 HB THR A 69 -0.012 -12.612 -1.216 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.819 -12.155 -2.648 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.829 -10.332 -1.671 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.197 -10.510 -0.016 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.954 -10.494 -0.301 1.00 0.00 H new ATOM 997 N ASP A 70 3.163 -14.449 0.697 1.00 0.00 N ATOM 998 CA ASP A 70 4.572 -14.752 0.942 1.00 0.00 C ATOM 999 C ASP A 70 5.458 -14.201 -0.173 1.00 0.00 C ATOM 1000 O ASP A 70 6.136 -14.950 -0.875 1.00 0.00 O ATOM 1001 CB ASP A 70 4.774 -16.264 1.064 1.00 0.00 C ATOM 1002 CG ASP A 70 4.380 -17.005 -0.198 1.00 0.00 C ATOM 1003 OD1 ASP A 70 3.601 -16.445 -0.997 1.00 0.00 O ATOM 1004 OD2 ASP A 70 4.852 -18.146 -0.389 1.00 0.00 O ATOM 0 H ASP A 70 2.587 -15.271 0.516 1.00 0.00 H new ATOM 0 HA ASP A 70 4.860 -14.272 1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.820 -16.471 1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.186 -16.640 1.901 1.00 0.00 H new ATOM 1009 N GLU A 71 5.445 -12.883 -0.319 1.00 0.00 N ATOM 1010 CA GLU A 71 6.259 -12.202 -1.313 1.00 0.00 C ATOM 1011 C GLU A 71 7.090 -11.123 -0.641 1.00 0.00 C ATOM 1012 O GLU A 71 8.296 -11.017 -0.867 1.00 0.00 O ATOM 1013 CB GLU A 71 5.374 -11.588 -2.400 1.00 0.00 C ATOM 1014 CG GLU A 71 5.393 -12.362 -3.708 1.00 0.00 C ATOM 1015 CD GLU A 71 4.230 -12.006 -4.613 1.00 0.00 C ATOM 1016 OE1 GLU A 71 3.781 -10.841 -4.574 1.00 0.00 O ATOM 1017 OE2 GLU A 71 3.768 -12.893 -5.361 1.00 0.00 O ATOM 0 H GLU A 71 4.871 -12.258 0.247 1.00 0.00 H new ATOM 0 HA GLU A 71 6.925 -12.927 -1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.349 -11.534 -2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.700 -10.565 -2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.329 -12.163 -4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.368 -13.431 -3.494 1.00 0.00 H new ATOM 1024 N VAL A 72 6.442 -10.350 0.222 1.00 0.00 N ATOM 1025 CA VAL A 72 7.128 -9.318 0.978 1.00 0.00 C ATOM 1026 C VAL A 72 8.260 -9.931 1.789 1.00 0.00 C ATOM 1027 O VAL A 72 9.286 -9.295 2.031 1.00 0.00 O ATOM 1028 CB VAL A 72 6.168 -8.592 1.928 1.00 0.00 C ATOM 1029 CG1 VAL A 72 5.271 -7.641 1.156 1.00 0.00 C ATOM 1030 CG2 VAL A 72 5.354 -9.606 2.709 1.00 0.00 C ATOM 0 H VAL A 72 5.443 -10.421 0.413 1.00 0.00 H new ATOM 0 HA VAL A 72 7.528 -8.596 0.266 1.00 0.00 H new ATOM 0 HB VAL A 72 6.746 -7.997 2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.597 -7.135 1.847 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.883 -6.902 0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.688 -8.203 0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.673 -9.085 3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.779 -10.222 2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.024 -10.241 3.289 1.00 0.00 H new ATOM 1040 N ARG A 73 8.074 -11.187 2.189 1.00 0.00 N ATOM 1041 CA ARG A 73 9.100 -11.916 2.920 1.00 0.00 C ATOM 1042 C ARG A 73 10.384 -11.936 2.105 1.00 0.00 C ATOM 1043 O ARG A 73 11.463 -11.612 2.602 1.00 0.00 O ATOM 1044 CB ARG A 73 8.634 -13.346 3.199 1.00 0.00 C ATOM 1045 CG ARG A 73 9.241 -13.956 4.450 1.00 0.00 C ATOM 1046 CD ARG A 73 10.674 -14.407 4.211 1.00 0.00 C ATOM 1047 NE ARG A 73 11.390 -14.648 5.461 1.00 0.00 N ATOM 1048 CZ ARG A 73 11.274 -15.765 6.170 1.00 0.00 C ATOM 1049 NH1 ARG A 73 10.472 -16.736 5.755 1.00 0.00 N ATOM 1050 NH2 ARG A 73 11.958 -15.912 7.297 1.00 0.00 N ATOM 0 H ARG A 73 7.221 -11.719 2.018 1.00 0.00 H new ATOM 0 HA ARG A 73 9.284 -11.418 3.872 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.548 -13.352 3.293 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.883 -13.973 2.343 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.218 -13.227 5.260 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.639 -14.807 4.770 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.672 -15.319 3.613 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.201 -13.648 3.633 1.00 0.00 H new ATOM 0 HE ARG A 73 12.013 -13.919 5.808 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.943 -16.626 4.890 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.384 -17.593 6.301 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.574 -15.166 7.620 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.868 -16.771 7.840 1.00 0.00 H new ATOM 1064 N GLN A 74 10.240 -12.289 0.834 1.00 0.00 N ATOM 1065 CA GLN A 74 11.355 -12.298 -0.100 1.00 0.00 C ATOM 1066 C GLN A 74 11.910 -10.889 -0.286 1.00 0.00 C ATOM 1067 O GLN A 74 13.049 -10.712 -0.715 1.00 0.00 O ATOM 1068 CB GLN A 74 10.888 -12.864 -1.440 1.00 0.00 C ATOM 1069 CG GLN A 74 9.945 -14.048 -1.296 1.00 0.00 C ATOM 1070 CD GLN A 74 10.127 -15.077 -2.394 1.00 0.00 C ATOM 1071 OE1 GLN A 74 10.113 -16.282 -2.140 1.00 0.00 O ATOM 1072 NE2 GLN A 74 10.298 -14.607 -3.624 1.00 0.00 N ATOM 0 H GLN A 74 9.351 -12.576 0.424 1.00 0.00 H new ATOM 0 HA GLN A 74 12.151 -12.926 0.301 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.388 -12.077 -2.005 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.758 -13.170 -2.021 1.00 0.00 H new ATOM 0 HG2 GLN A 74 10.109 -14.522 -0.328 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.915 -13.691 -1.306 1.00 0.00 H new ATOM 0 HE21 GLN A 74 10.303 -13.600 -3.789 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.425 -15.252 -4.404 1.00 0.00 H new ATOM 1081 N LEU A 75 11.097 -9.892 0.057 1.00 0.00 N ATOM 1082 CA LEU A 75 11.498 -8.496 -0.033 1.00 0.00 C ATOM 1083 C LEU A 75 12.601 -8.188 0.976 1.00 0.00 C ATOM 1084 O LEU A 75 12.410 -7.394 1.899 1.00 0.00 O ATOM 1085 CB LEU A 75 10.291 -7.601 0.224 1.00 0.00 C ATOM 1086 CG LEU A 75 10.171 -6.410 -0.697 1.00 0.00 C ATOM 1087 CD1 LEU A 75 8.794 -5.785 -0.547 1.00 0.00 C ATOM 1088 CD2 LEU A 75 11.262 -5.410 -0.395 1.00 0.00 C ATOM 0 H LEU A 75 10.148 -10.031 0.403 1.00 0.00 H new ATOM 0 HA LEU A 75 11.885 -8.305 -1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.386 -8.202 0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.336 -7.243 1.252 1.00 0.00 H new ATOM 0 HG LEU A 75 10.290 -6.734 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.710 -4.926 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.031 -6.520 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.652 -5.461 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.167 -4.555 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.172 -5.074 0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.235 -5.878 -0.541 1.00 0.00 H new ATOM 1100 N ARG A 76 13.747 -8.836 0.808 1.00 0.00 N ATOM 1101 CA ARG A 76 14.870 -8.656 1.714 1.00 0.00 C ATOM 1102 C ARG A 76 15.259 -7.183 1.825 1.00 0.00 C ATOM 1103 O ARG A 76 14.893 -6.369 0.976 1.00 0.00 O ATOM 1104 CB ARG A 76 16.061 -9.491 1.242 1.00 0.00 C ATOM 1105 CG ARG A 76 15.732 -10.969 1.067 1.00 0.00 C ATOM 1106 CD ARG A 76 15.999 -11.754 2.341 1.00 0.00 C ATOM 1107 NE ARG A 76 17.428 -11.919 2.597 1.00 0.00 N ATOM 1108 CZ ARG A 76 17.921 -12.406 3.732 1.00 0.00 C ATOM 1109 NH1 ARG A 76 17.103 -12.773 4.709 1.00 0.00 N ATOM 1110 NH2 ARG A 76 19.232 -12.526 3.890 1.00 0.00 N ATOM 0 H ARG A 76 13.922 -9.494 0.048 1.00 0.00 H new ATOM 0 HA ARG A 76 14.569 -8.996 2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 76 16.422 -9.092 0.294 1.00 0.00 H new ATOM 0 HB3 ARG A 76 16.874 -9.390 1.961 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.685 -11.079 0.783 1.00 0.00 H new ATOM 0 HG3 ARG A 76 16.328 -11.381 0.253 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.537 -11.242 3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.529 -12.735 2.267 1.00 0.00 H new ATOM 0 HE ARG A 76 18.084 -11.646 1.865 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.094 -12.682 4.591 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.483 -13.146 5.579 1.00 0.00 H new ATOM 0 HH21 ARG A 76 19.864 -12.245 3.140 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.609 -12.900 4.761 1.00 0.00 H new ATOM 1124 N ARG A 77 15.983 -6.846 2.888 1.00 0.00 N ATOM 1125 CA ARG A 77 16.401 -5.470 3.129 1.00 0.00 C ATOM 1126 C ARG A 77 17.117 -4.887 1.914 1.00 0.00 C ATOM 1127 O ARG A 77 17.811 -5.598 1.188 1.00 0.00 O ATOM 1128 CB ARG A 77 17.312 -5.412 4.357 1.00 0.00 C ATOM 1129 CG ARG A 77 17.941 -4.048 4.590 1.00 0.00 C ATOM 1130 CD ARG A 77 19.447 -4.091 4.397 1.00 0.00 C ATOM 1131 NE ARG A 77 20.163 -3.584 5.564 1.00 0.00 N ATOM 1132 CZ ARG A 77 20.063 -2.334 6.004 1.00 0.00 C ATOM 1133 NH1 ARG A 77 19.282 -1.468 5.373 1.00 0.00 N ATOM 1134 NH2 ARG A 77 20.745 -1.950 7.073 1.00 0.00 N ATOM 0 H ARG A 77 16.293 -7.510 3.598 1.00 0.00 H new ATOM 0 HA ARG A 77 15.510 -4.870 3.311 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.736 -5.691 5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 77 18.104 -6.153 4.246 1.00 0.00 H new ATOM 0 HG2 ARG A 77 17.505 -3.323 3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 77 17.712 -3.708 5.600 1.00 0.00 H new ATOM 0 HD2 ARG A 77 19.758 -5.117 4.198 1.00 0.00 H new ATOM 0 HD3 ARG A 77 19.717 -3.501 3.521 1.00 0.00 H new ATOM 0 HE ARG A 77 20.774 -4.225 6.070 1.00 0.00 H new ATOM 0 HH11 ARG A 77 18.757 -1.761 4.549 1.00 0.00 H new ATOM 0 HH12 ARG A 77 19.206 -0.509 5.712 1.00 0.00 H new ATOM 0 HH21 ARG A 77 21.348 -2.614 7.559 1.00 0.00 H new ATOM 0 HH22 ARG A 77 20.667 -0.990 7.410 1.00 0.00 H new ATOM 1148 N GLY A 78 16.938 -3.587 1.699 1.00 0.00 N ATOM 1149 CA GLY A 78 17.561 -2.926 0.567 1.00 0.00 C ATOM 1150 C GLY A 78 16.629 -2.823 -0.623 1.00 0.00 C ATOM 1151 O GLY A 78 17.052 -2.992 -1.767 1.00 0.00 O ATOM 0 H GLY A 78 16.371 -2.979 2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.880 -1.927 0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.457 -3.474 0.277 1.00 0.00 H new ATOM 1155 N ASP A 79 15.355 -2.561 -0.352 1.00 0.00 N ATOM 1156 CA ASP A 79 14.355 -2.460 -1.408 1.00 0.00 C ATOM 1157 C ASP A 79 13.370 -1.325 -1.133 1.00 0.00 C ATOM 1158 O ASP A 79 13.097 -0.990 0.020 1.00 0.00 O ATOM 1159 CB ASP A 79 13.609 -3.793 -1.550 1.00 0.00 C ATOM 1160 CG ASP A 79 12.408 -3.706 -2.477 1.00 0.00 C ATOM 1161 OD1 ASP A 79 11.500 -2.896 -2.200 1.00 0.00 O ATOM 1162 OD2 ASP A 79 12.371 -4.460 -3.471 1.00 0.00 O ATOM 0 H ASP A 79 14.991 -2.415 0.589 1.00 0.00 H new ATOM 0 HA ASP A 79 14.868 -2.235 -2.343 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.297 -4.550 -1.926 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.278 -4.124 -0.566 1.00 0.00 H new ATOM 1167 N THR A 80 12.836 -0.744 -2.204 1.00 0.00 N ATOM 1168 CA THR A 80 11.863 0.340 -2.091 1.00 0.00 C ATOM 1169 C THR A 80 10.532 -0.063 -2.718 1.00 0.00 C ATOM 1170 O THR A 80 10.500 -0.747 -3.741 1.00 0.00 O ATOM 1171 CB THR A 80 12.394 1.605 -2.768 1.00 0.00 C ATOM 1172 OG1 THR A 80 13.760 1.809 -2.449 1.00 0.00 O ATOM 1173 CG2 THR A 80 11.637 2.856 -2.379 1.00 0.00 C ATOM 0 H THR A 80 13.061 -1.007 -3.163 1.00 0.00 H new ATOM 0 HA THR A 80 11.703 0.544 -1.032 1.00 0.00 H new ATOM 0 HB THR A 80 12.260 1.439 -3.837 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.838 2.100 -1.517 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.065 3.716 -2.895 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.589 2.749 -2.660 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.710 3.006 -1.302 1.00 0.00 H new ATOM 1181 N LEU A 81 9.435 0.368 -2.104 1.00 0.00 N ATOM 1182 CA LEU A 81 8.101 0.031 -2.589 1.00 0.00 C ATOM 1183 C LEU A 81 7.198 1.263 -2.562 1.00 0.00 C ATOM 1184 O LEU A 81 7.471 2.223 -1.846 1.00 0.00 O ATOM 1185 CB LEU A 81 7.497 -1.096 -1.737 1.00 0.00 C ATOM 1186 CG LEU A 81 8.196 -1.343 -0.395 1.00 0.00 C ATOM 1187 CD1 LEU A 81 7.208 -1.808 0.658 1.00 0.00 C ATOM 1188 CD2 LEU A 81 9.324 -2.351 -0.558 1.00 0.00 C ATOM 0 H LEU A 81 9.443 0.952 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 81 8.180 -0.315 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.449 -0.864 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.519 -2.019 -2.316 1.00 0.00 H new ATOM 0 HG LEU A 81 8.624 -0.399 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.731 -1.975 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.442 -1.046 0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.740 -2.737 0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.809 -2.514 0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.919 -3.294 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.054 -1.968 -1.271 1.00 0.00 H new ATOM 1200 N THR A 82 6.137 1.237 -3.360 1.00 0.00 N ATOM 1201 CA THR A 82 5.204 2.358 -3.441 1.00 0.00 C ATOM 1202 C THR A 82 3.806 1.927 -3.011 1.00 0.00 C ATOM 1203 O THR A 82 3.281 0.940 -3.513 1.00 0.00 O ATOM 1204 CB THR A 82 5.155 2.876 -4.877 1.00 0.00 C ATOM 1205 OG1 THR A 82 5.287 1.809 -5.799 1.00 0.00 O ATOM 1206 CG2 THR A 82 6.238 3.879 -5.179 1.00 0.00 C ATOM 0 H THR A 82 5.900 0.449 -3.963 1.00 0.00 H new ATOM 0 HA THR A 82 5.548 3.147 -2.772 1.00 0.00 H new ATOM 0 HB THR A 82 4.187 3.366 -4.979 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.252 2.160 -6.713 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.150 4.209 -6.214 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.135 4.737 -4.514 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.214 3.418 -5.027 1.00 0.00 H new ATOM 1214 N ILE A 83 3.190 2.672 -2.098 1.00 0.00 N ATOM 1215 CA ILE A 83 1.849 2.308 -1.634 1.00 0.00 C ATOM 1216 C ILE A 83 0.832 3.453 -1.856 1.00 0.00 C ATOM 1217 O ILE A 83 0.790 4.014 -2.950 1.00 0.00 O ATOM 1218 CB ILE A 83 1.870 1.801 -0.173 1.00 0.00 C ATOM 1219 CG1 ILE A 83 0.554 1.062 0.165 1.00 0.00 C ATOM 1220 CG2 ILE A 83 2.195 2.948 0.776 1.00 0.00 C ATOM 1221 CD1 ILE A 83 0.153 1.076 1.629 1.00 0.00 C ATOM 0 H ILE A 83 3.583 3.511 -1.672 1.00 0.00 H new ATOM 0 HA ILE A 83 1.506 1.474 -2.246 1.00 0.00 H new ATOM 0 HB ILE A 83 2.665 1.066 -0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.252 1.507 -0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.647 0.025 -0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.207 2.579 1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.173 3.360 0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.438 3.726 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.782 0.531 1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.933 0.601 2.224 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.020 2.106 1.960 1.00 0.00 H new ATOM 1233 N GLY A 84 -0.047 3.750 -0.882 1.00 0.00 N ATOM 1234 CA GLY A 84 -1.034 4.792 -1.088 1.00 0.00 C ATOM 1235 C GLY A 84 -0.385 6.123 -1.369 1.00 0.00 C ATOM 1236 O GLY A 84 -0.813 6.867 -2.253 1.00 0.00 O ATOM 0 H GLY A 84 -0.085 3.290 0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.683 4.520 -1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.667 4.874 -0.204 1.00 0.00 H new ATOM 1240 N GLU A 85 0.679 6.400 -0.633 1.00 0.00 N ATOM 1241 CA GLU A 85 1.465 7.603 -0.843 1.00 0.00 C ATOM 1242 C GLU A 85 2.592 7.325 -1.833 1.00 0.00 C ATOM 1243 O GLU A 85 3.555 8.086 -1.919 1.00 0.00 O ATOM 1244 CB GLU A 85 2.058 8.094 0.481 1.00 0.00 C ATOM 1245 CG GLU A 85 1.187 9.102 1.211 1.00 0.00 C ATOM 1246 CD GLU A 85 0.706 10.223 0.311 1.00 0.00 C ATOM 1247 OE1 GLU A 85 1.470 10.630 -0.590 1.00 0.00 O ATOM 1248 OE2 GLU A 85 -0.434 10.694 0.506 1.00 0.00 O ATOM 0 H GLU A 85 1.019 5.803 0.120 1.00 0.00 H new ATOM 0 HA GLU A 85 0.810 8.376 -1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.227 7.236 1.132 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.032 8.544 0.287 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.325 8.589 1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.749 9.526 2.043 1.00 0.00 H new ATOM 1255 N GLU A 86 2.482 6.212 -2.562 1.00 0.00 N ATOM 1256 CA GLU A 86 3.502 5.826 -3.515 1.00 0.00 C ATOM 1257 C GLU A 86 4.845 5.685 -2.824 1.00 0.00 C ATOM 1258 O GLU A 86 5.886 5.851 -3.454 1.00 0.00 O ATOM 1259 CB GLU A 86 3.606 6.869 -4.628 1.00 0.00 C ATOM 1260 CG GLU A 86 2.479 6.789 -5.640 1.00 0.00 C ATOM 1261 CD GLU A 86 2.049 8.152 -6.145 1.00 0.00 C ATOM 1262 OE1 GLU A 86 1.932 9.081 -5.320 1.00 0.00 O ATOM 1263 OE2 GLU A 86 1.830 8.290 -7.367 1.00 0.00 O ATOM 0 H GLU A 86 1.693 5.568 -2.504 1.00 0.00 H new ATOM 0 HA GLU A 86 3.222 4.865 -3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.614 7.864 -4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.557 6.743 -5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.797 6.177 -6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.624 6.288 -5.187 1.00 0.00 H new ATOM 1270 N ASN A 87 4.831 5.521 -1.505 1.00 0.00 N ATOM 1271 CA ASN A 87 6.089 5.419 -0.786 1.00 0.00 C ATOM 1272 C ASN A 87 6.074 4.469 0.408 1.00 0.00 C ATOM 1273 O ASN A 87 5.528 4.786 1.464 1.00 0.00 O ATOM 1274 CB ASN A 87 6.547 6.795 -0.335 1.00 0.00 C ATOM 1275 CG ASN A 87 7.137 7.598 -1.473 1.00 0.00 C ATOM 1276 OD1 ASN A 87 6.484 8.480 -2.029 1.00 0.00 O ATOM 1277 ND2 ASN A 87 8.375 7.286 -1.835 1.00 0.00 N ATOM 0 H ASN A 87 3.991 5.458 -0.930 1.00 0.00 H new ATOM 0 HA ASN A 87 6.790 4.987 -1.500 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.702 7.337 0.091 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.289 6.689 0.456 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.823 7.785 -2.603 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.879 6.547 -1.345 1.00 0.00 H new ATOM 1284 N PHE A 88 6.821 3.384 0.273 1.00 0.00 N ATOM 1285 CA PHE A 88 7.084 2.467 1.355 1.00 0.00 C ATOM 1286 C PHE A 88 8.544 2.051 1.282 1.00 0.00 C ATOM 1287 O PHE A 88 9.146 2.057 0.208 1.00 0.00 O ATOM 1288 CB PHE A 88 6.205 1.221 1.289 1.00 0.00 C ATOM 1289 CG PHE A 88 5.088 1.189 2.279 1.00 0.00 C ATOM 1290 CD1 PHE A 88 5.237 1.761 3.522 1.00 0.00 C ATOM 1291 CD2 PHE A 88 3.927 0.503 1.996 1.00 0.00 C ATOM 1292 CE1 PHE A 88 4.211 1.727 4.446 1.00 0.00 C ATOM 1293 CE2 PHE A 88 2.901 0.444 2.916 1.00 0.00 C ATOM 1294 CZ PHE A 88 3.044 1.052 4.146 1.00 0.00 C ATOM 0 H PHE A 88 7.265 3.118 -0.606 1.00 0.00 H new ATOM 0 HA PHE A 88 6.858 2.974 2.293 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.785 1.143 0.286 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.832 0.343 1.442 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.169 2.243 3.778 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.819 0.006 1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.321 2.225 5.398 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.987 -0.078 2.674 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.246 1.000 4.872 1.00 0.00 H new ATOM 1304 N TRP A 89 9.120 1.733 2.421 1.00 0.00 N ATOM 1305 CA TRP A 89 10.514 1.312 2.466 1.00 0.00 C ATOM 1306 C TRP A 89 10.673 0.107 3.366 1.00 0.00 C ATOM 1307 O TRP A 89 10.065 0.038 4.433 1.00 0.00 O ATOM 1308 CB TRP A 89 11.414 2.450 2.947 1.00 0.00 C ATOM 1309 CG TRP A 89 12.868 2.207 2.687 1.00 0.00 C ATOM 1310 CD1 TRP A 89 13.739 1.523 3.485 1.00 0.00 C ATOM 1311 CD2 TRP A 89 13.623 2.645 1.551 1.00 0.00 C ATOM 1312 NE1 TRP A 89 14.990 1.509 2.915 1.00 0.00 N ATOM 1313 CE2 TRP A 89 14.944 2.191 1.727 1.00 0.00 C ATOM 1314 CE3 TRP A 89 13.311 3.377 0.403 1.00 0.00 C ATOM 1315 CZ2 TRP A 89 15.949 2.445 0.798 1.00 0.00 C ATOM 1316 CZ3 TRP A 89 14.309 3.629 -0.519 1.00 0.00 C ATOM 1317 CH2 TRP A 89 15.615 3.164 -0.316 1.00 0.00 C ATOM 0 H TRP A 89 8.652 1.756 3.327 1.00 0.00 H new ATOM 0 HA TRP A 89 10.816 1.040 1.455 1.00 0.00 H new ATOM 0 HB2 TRP A 89 11.114 3.374 2.454 1.00 0.00 H new ATOM 0 HB3 TRP A 89 11.263 2.596 4.017 1.00 0.00 H new ATOM 0 HD1 TRP A 89 13.483 1.060 4.427 1.00 0.00 H new ATOM 0 HE1 TRP A 89 15.818 1.064 3.312 1.00 0.00 H new ATOM 0 HE3 TRP A 89 12.307 3.740 0.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 16.956 2.087 0.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 14.079 4.193 -1.410 1.00 0.00 H new ATOM 0 HH2 TRP A 89 16.373 3.378 -1.055 1.00 0.00 H new ATOM 1328 N VAL A 90 11.535 -0.817 2.973 1.00 0.00 N ATOM 1329 CA VAL A 90 11.703 -2.028 3.746 1.00 0.00 C ATOM 1330 C VAL A 90 12.695 -1.808 4.869 1.00 0.00 C ATOM 1331 O VAL A 90 13.903 -1.705 4.663 1.00 0.00 O ATOM 1332 CB VAL A 90 12.163 -3.211 2.877 1.00 0.00 C ATOM 1333 CG1 VAL A 90 12.024 -4.520 3.646 1.00 0.00 C ATOM 1334 CG2 VAL A 90 11.372 -3.261 1.580 1.00 0.00 C ATOM 0 H VAL A 90 12.118 -0.751 2.138 1.00 0.00 H new ATOM 0 HA VAL A 90 10.727 -2.277 4.163 1.00 0.00 H new ATOM 0 HB VAL A 90 13.215 -3.070 2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.353 -5.348 3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.638 -4.480 4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 90 10.981 -4.669 3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 90 11.712 -4.104 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.312 -3.379 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.524 -2.335 1.025 1.00 0.00 H new ATOM 1344 N ASP A 91 12.135 -1.748 6.061 1.00 0.00 N ATOM 1345 CA ASP A 91 12.881 -1.553 7.284 1.00 0.00 C ATOM 1346 C ASP A 91 13.109 -2.887 8.001 1.00 0.00 C ATOM 1347 O ASP A 91 13.813 -2.937 9.007 1.00 0.00 O ATOM 1348 CB ASP A 91 12.090 -0.608 8.188 1.00 0.00 C ATOM 1349 CG ASP A 91 12.942 0.001 9.284 1.00 0.00 C ATOM 1350 OD1 ASP A 91 14.134 -0.359 9.379 1.00 0.00 O ATOM 1351 OD2 ASP A 91 12.417 0.839 10.048 1.00 0.00 O ATOM 0 H ASP A 91 11.129 -1.835 6.207 1.00 0.00 H new ATOM 0 HA ASP A 91 13.856 -1.126 7.049 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.658 0.190 7.584 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.260 -1.152 8.638 1.00 0.00 H new ATOM 1356 N ARG A 92 12.492 -3.956 7.461 1.00 0.00 N ATOM 1357 CA ARG A 92 12.569 -5.319 8.010 1.00 0.00 C ATOM 1358 C ARG A 92 13.761 -5.540 8.938 1.00 0.00 C ATOM 1359 O ARG A 92 14.915 -5.480 8.515 1.00 0.00 O ATOM 1360 CB ARG A 92 12.627 -6.332 6.863 1.00 0.00 C ATOM 1361 CG ARG A 92 11.263 -6.683 6.290 1.00 0.00 C ATOM 1362 CD ARG A 92 11.087 -8.185 6.142 1.00 0.00 C ATOM 1363 NE ARG A 92 12.277 -8.824 5.589 1.00 0.00 N ATOM 1364 CZ ARG A 92 12.525 -10.126 5.683 1.00 0.00 C ATOM 1365 NH1 ARG A 92 11.667 -10.924 6.303 1.00 0.00 N ATOM 1366 NH2 ARG A 92 13.632 -10.632 5.155 1.00 0.00 N ATOM 0 H ARG A 92 11.919 -3.893 6.620 1.00 0.00 H new ATOM 0 HA ARG A 92 11.671 -5.460 8.612 1.00 0.00 H new ATOM 0 HB2 ARG A 92 13.254 -5.931 6.067 1.00 0.00 H new ATOM 0 HB3 ARG A 92 13.108 -7.243 7.218 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.482 -6.287 6.939 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.142 -6.205 5.318 1.00 0.00 H new ATOM 0 HD2 ARG A 92 10.861 -8.621 7.115 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.233 -8.388 5.495 1.00 0.00 H new ATOM 0 HE ARG A 92 12.956 -8.238 5.103 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.814 -10.539 6.709 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.860 -11.923 6.374 1.00 0.00 H new ATOM 0 HH21 ARG A 92 14.294 -10.021 4.676 1.00 0.00 H new ATOM 0 HH22 ARG A 92 13.821 -11.632 5.228 1.00 0.00 H new ATOM 1380 N VAL A 93 13.460 -5.806 10.202 1.00 0.00 N ATOM 1381 CA VAL A 93 14.486 -6.059 11.205 1.00 0.00 C ATOM 1382 C VAL A 93 15.488 -7.100 10.703 1.00 0.00 C ATOM 1383 O VAL A 93 15.184 -7.888 9.807 1.00 0.00 O ATOM 1384 CB VAL A 93 13.853 -6.524 12.531 1.00 0.00 C ATOM 1385 CG1 VAL A 93 12.788 -7.545 12.231 1.00 0.00 C ATOM 1386 CG2 VAL A 93 14.892 -7.073 13.504 1.00 0.00 C ATOM 0 H VAL A 93 12.506 -5.852 10.559 1.00 0.00 H new ATOM 0 HA VAL A 93 15.017 -5.125 11.386 1.00 0.00 H new ATOM 0 HB VAL A 93 13.403 -5.663 13.025 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.333 -7.881 13.163 1.00 0.00 H new ATOM 0 HG12 VAL A 93 12.024 -7.098 11.595 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.235 -8.396 11.718 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.399 -7.388 14.424 1.00 0.00 H new ATOM 0 HG22 VAL A 93 15.398 -7.927 13.053 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.623 -6.297 13.732 1.00 0.00 H new ATOM 1396 N SER A 94 16.679 -7.097 11.288 1.00 0.00 N ATOM 1397 CA SER A 94 17.718 -8.044 10.905 1.00 0.00 C ATOM 1398 C SER A 94 17.321 -9.466 11.294 1.00 0.00 C ATOM 1399 O SER A 94 16.456 -9.665 12.147 1.00 0.00 O ATOM 1400 CB SER A 94 19.046 -7.673 11.566 1.00 0.00 C ATOM 1401 OG SER A 94 18.958 -6.419 12.220 1.00 0.00 O ATOM 0 H SER A 94 16.949 -6.450 12.029 1.00 0.00 H new ATOM 0 HA SER A 94 17.837 -8.000 9.822 1.00 0.00 H new ATOM 0 HB2 SER A 94 19.325 -8.443 12.285 1.00 0.00 H new ATOM 0 HB3 SER A 94 19.834 -7.639 10.813 1.00 0.00 H new ATOM 0 HG SER A 94 19.819 -6.206 12.636 1.00 0.00 H new ATOM 1407 N PRO A 95 17.945 -10.476 10.666 1.00 0.00 N ATOM 1408 CA PRO A 95 17.648 -11.884 10.951 1.00 0.00 C ATOM 1409 C PRO A 95 17.936 -12.251 12.402 1.00 0.00 C ATOM 1410 O PRO A 95 18.185 -11.381 13.235 1.00 0.00 O ATOM 1411 CB PRO A 95 18.578 -12.654 10.004 1.00 0.00 C ATOM 1412 CG PRO A 95 19.639 -11.680 9.618 1.00 0.00 C ATOM 1413 CD PRO A 95 18.986 -10.328 9.636 1.00 0.00 C ATOM 0 HA PRO A 95 16.593 -12.114 10.802 1.00 0.00 H new ATOM 0 HB2 PRO A 95 19.006 -13.527 10.497 1.00 0.00 H new ATOM 0 HB3 PRO A 95 18.038 -13.015 9.129 1.00 0.00 H new ATOM 0 HG2 PRO A 95 20.476 -11.718 10.315 1.00 0.00 H new ATOM 0 HG3 PRO A 95 20.037 -11.908 8.629 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.696 -9.541 9.890 1.00 0.00 H new ATOM 0 HD3 PRO A 95 18.560 -10.073 8.666 1.00 0.00 H new ATOM 1421 N ASP A 96 17.894 -13.547 12.699 1.00 0.00 N ATOM 1422 CA ASP A 96 18.146 -14.030 14.053 1.00 0.00 C ATOM 1423 C ASP A 96 16.991 -13.672 14.983 1.00 0.00 C ATOM 1424 O ASP A 96 16.296 -14.552 15.491 1.00 0.00 O ATOM 1425 CB ASP A 96 19.451 -13.443 14.594 1.00 0.00 C ATOM 1426 CG ASP A 96 20.589 -13.544 13.599 1.00 0.00 C ATOM 1427 OD1 ASP A 96 20.748 -14.622 12.986 1.00 0.00 O ATOM 1428 OD2 ASP A 96 21.321 -12.547 13.430 1.00 0.00 O ATOM 0 H ASP A 96 17.688 -14.281 12.021 1.00 0.00 H new ATOM 0 HA ASP A 96 18.234 -15.116 14.012 1.00 0.00 H new ATOM 0 HB2 ASP A 96 19.294 -12.397 14.856 1.00 0.00 H new ATOM 0 HB3 ASP A 96 19.727 -13.964 15.511 1.00 0.00 H new ATOM 1433 N ASP A 97 16.794 -12.377 15.202 1.00 0.00 N ATOM 1434 CA ASP A 97 15.723 -11.903 16.071 1.00 0.00 C ATOM 1435 C ASP A 97 14.497 -11.506 15.256 1.00 0.00 C ATOM 1436 O ASP A 97 14.177 -10.324 15.133 1.00 0.00 O ATOM 1437 CB ASP A 97 16.203 -10.710 16.901 1.00 0.00 C ATOM 1438 CG ASP A 97 16.765 -9.596 16.041 1.00 0.00 C ATOM 1439 OD1 ASP A 97 16.473 -9.577 14.827 1.00 0.00 O ATOM 1440 OD2 ASP A 97 17.499 -8.742 16.583 1.00 0.00 O ATOM 0 H ASP A 97 17.362 -11.637 14.790 1.00 0.00 H new ATOM 0 HA ASP A 97 15.445 -12.717 16.741 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.372 -10.325 17.492 1.00 0.00 H new ATOM 0 HB3 ASP A 97 16.967 -11.043 17.603 1.00 0.00 H new ATOM 1445 N GLY A 98 13.814 -12.502 14.701 1.00 0.00 N ATOM 1446 CA GLY A 98 12.630 -12.236 13.904 1.00 0.00 C ATOM 1447 C GLY A 98 11.726 -13.446 13.788 1.00 0.00 C ATOM 1448 O GLY A 98 12.189 -14.550 13.504 1.00 0.00 O ATOM 0 H GLY A 98 14.059 -13.488 14.789 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.073 -11.412 14.350 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.931 -11.915 12.907 1.00 0.00 H new ATOM 1452 N GLY A 99 10.432 -13.239 14.009 1.00 0.00 N ATOM 1453 CA GLY A 99 9.481 -14.331 13.921 1.00 0.00 C ATOM 1454 C GLY A 99 8.859 -14.456 12.542 1.00 0.00 C ATOM 1455 O GLY A 99 7.841 -15.128 12.374 1.00 0.00 O ATOM 0 H GLY A 99 10.025 -12.335 14.247 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.982 -15.265 14.175 1.00 0.00 H new ATOM 0 HA3 GLY A 99 8.693 -14.181 14.659 1.00 0.00 H new ATOM 1459 N SER A 100 9.472 -13.812 11.552 1.00 0.00 N ATOM 1460 CA SER A 100 8.971 -13.857 10.183 1.00 0.00 C ATOM 1461 C SER A 100 7.536 -13.343 10.108 1.00 0.00 C ATOM 1462 O SER A 100 6.814 -13.339 11.104 1.00 0.00 O ATOM 1463 CB SER A 100 9.041 -15.287 9.641 1.00 0.00 C ATOM 1464 OG SER A 100 9.470 -15.300 8.291 1.00 0.00 O ATOM 0 H SER A 100 10.317 -13.253 11.673 1.00 0.00 H new ATOM 0 HA SER A 100 9.600 -13.210 9.572 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.727 -15.877 10.249 1.00 0.00 H new ATOM 0 HB3 SER A 100 8.061 -15.757 9.719 1.00 0.00 H new ATOM 0 HG SER A 100 9.077 -16.071 7.830 1.00 0.00 H new ATOM 1470 N CYS A 101 7.131 -12.907 8.920 1.00 0.00 N ATOM 1471 CA CYS A 101 5.781 -12.397 8.714 1.00 0.00 C ATOM 1472 C CYS A 101 5.528 -11.154 9.562 1.00 0.00 C ATOM 1473 O CYS A 101 4.645 -11.147 10.421 1.00 0.00 O ATOM 1474 CB CYS A 101 4.753 -13.474 9.056 1.00 0.00 C ATOM 1475 SG CYS A 101 4.251 -14.493 7.649 1.00 0.00 S ATOM 0 H CYS A 101 7.718 -12.897 8.086 1.00 0.00 H new ATOM 0 HA CYS A 101 5.681 -12.123 7.664 1.00 0.00 H new ATOM 0 HB2 CYS A 101 5.165 -14.121 9.830 1.00 0.00 H new ATOM 0 HB3 CYS A 101 3.869 -12.996 9.478 1.00 0.00 H new ATOM 0 HG CYS A 101 3.381 -15.376 8.041 1.00 0.00 H new ATOM 1481 N HIS A 102 6.303 -10.106 9.312 1.00 0.00 N ATOM 1482 CA HIS A 102 6.155 -8.854 10.046 1.00 0.00 C ATOM 1483 C HIS A 102 6.297 -7.665 9.116 1.00 0.00 C ATOM 1484 O HIS A 102 5.494 -6.733 9.152 1.00 0.00 O ATOM 1485 CB HIS A 102 7.207 -8.753 11.154 1.00 0.00 C ATOM 1486 CG HIS A 102 8.536 -9.322 10.769 1.00 0.00 C ATOM 1487 ND1 HIS A 102 8.875 -10.644 10.956 1.00 0.00 N ATOM 1488 CD2 HIS A 102 9.615 -8.733 10.202 1.00 0.00 C ATOM 1489 CE1 HIS A 102 10.108 -10.847 10.520 1.00 0.00 C ATOM 1490 NE2 HIS A 102 10.577 -9.702 10.058 1.00 0.00 N ATOM 0 H HIS A 102 7.040 -10.097 8.607 1.00 0.00 H new ATOM 0 HA HIS A 102 5.159 -8.845 10.489 1.00 0.00 H new ATOM 0 HB2 HIS A 102 7.335 -7.706 11.428 1.00 0.00 H new ATOM 0 HB3 HIS A 102 6.841 -9.272 12.040 1.00 0.00 H new ATOM 0 HD2 HIS A 102 9.703 -7.695 9.916 1.00 0.00 H new ATOM 0 HE1 HIS A 102 10.639 -11.787 10.539 1.00 0.00 H new ATOM 0 HE2 HIS A 102 11.505 -9.560 9.658 1.00 0.00 H new ATOM 1499 N LEU A 103 7.344 -7.692 8.301 1.00 0.00 N ATOM 1500 CA LEU A 103 7.630 -6.594 7.394 1.00 0.00 C ATOM 1501 C LEU A 103 7.625 -5.271 8.142 1.00 0.00 C ATOM 1502 O LEU A 103 6.571 -4.691 8.395 1.00 0.00 O ATOM 1503 CB LEU A 103 6.623 -6.544 6.244 1.00 0.00 C ATOM 1504 CG LEU A 103 7.248 -6.339 4.857 1.00 0.00 C ATOM 1505 CD1 LEU A 103 6.193 -5.966 3.831 1.00 0.00 C ATOM 1506 CD2 LEU A 103 8.337 -5.276 4.906 1.00 0.00 C ATOM 0 H LEU A 103 8.008 -8.464 8.252 1.00 0.00 H new ATOM 0 HA LEU A 103 8.621 -6.764 6.973 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.052 -7.473 6.237 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.916 -5.736 6.432 1.00 0.00 H new ATOM 0 HG LEU A 103 7.699 -7.284 4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.665 -5.827 2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.452 -6.763 3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.704 -5.040 4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.765 -5.148 3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.909 -4.331 5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.118 -5.587 5.600 1.00 0.00 H new ATOM 1518 N TRP A 104 8.812 -4.778 8.453 1.00 0.00 N ATOM 1519 CA TRP A 104 8.951 -3.513 9.137 1.00 0.00 C ATOM 1520 C TRP A 104 9.216 -2.438 8.098 1.00 0.00 C ATOM 1521 O TRP A 104 10.184 -2.524 7.355 1.00 0.00 O ATOM 1522 CB TRP A 104 10.087 -3.595 10.160 1.00 0.00 C ATOM 1523 CG TRP A 104 9.756 -2.981 11.486 1.00 0.00 C ATOM 1524 CD1 TRP A 104 8.595 -2.354 11.839 1.00 0.00 C ATOM 1525 CD2 TRP A 104 10.595 -2.955 12.648 1.00 0.00 C ATOM 1526 NE1 TRP A 104 8.664 -1.933 13.146 1.00 0.00 N ATOM 1527 CE2 TRP A 104 9.881 -2.290 13.664 1.00 0.00 C ATOM 1528 CE3 TRP A 104 11.881 -3.426 12.927 1.00 0.00 C ATOM 1529 CZ2 TRP A 104 10.413 -2.085 14.935 1.00 0.00 C ATOM 1530 CZ3 TRP A 104 12.407 -3.221 14.189 1.00 0.00 C ATOM 1531 CH2 TRP A 104 11.673 -2.556 15.179 1.00 0.00 C ATOM 0 H TRP A 104 9.695 -5.241 8.239 1.00 0.00 H new ATOM 0 HA TRP A 104 8.039 -3.267 9.681 1.00 0.00 H new ATOM 0 HB2 TRP A 104 10.352 -4.642 10.311 1.00 0.00 H new ATOM 0 HB3 TRP A 104 10.967 -3.100 9.751 1.00 0.00 H new ATOM 0 HD1 TRP A 104 7.747 -2.210 11.187 1.00 0.00 H new ATOM 0 HE1 TRP A 104 7.929 -1.436 13.648 1.00 0.00 H new ATOM 0 HE3 TRP A 104 12.454 -3.941 12.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 9.850 -1.572 15.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 13.400 -3.580 14.415 1.00 0.00 H new ATOM 0 HH2 TRP A 104 12.111 -2.412 16.155 1.00 0.00 H new ATOM 1542 N LEU A 105 8.274 -1.512 7.946 1.00 0.00 N ATOM 1543 CA LEU A 105 8.348 -0.531 6.871 1.00 0.00 C ATOM 1544 C LEU A 105 8.699 0.871 7.336 1.00 0.00 C ATOM 1545 O LEU A 105 8.602 1.211 8.515 1.00 0.00 O ATOM 1546 CB LEU A 105 7.036 -0.464 6.113 1.00 0.00 C ATOM 1547 CG LEU A 105 6.837 -1.534 5.043 1.00 0.00 C ATOM 1548 CD1 LEU A 105 5.600 -1.226 4.247 1.00 0.00 C ATOM 1549 CD2 LEU A 105 8.038 -1.665 4.121 1.00 0.00 C ATOM 0 H LEU A 105 7.457 -1.421 8.549 1.00 0.00 H new ATOM 0 HA LEU A 105 9.157 -0.879 6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.219 -0.537 6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.960 0.515 5.641 1.00 0.00 H new ATOM 0 HG LEU A 105 6.723 -2.491 5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 105 5.459 -1.991 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.735 -1.211 4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.708 -0.252 3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.844 -2.439 3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.215 -0.715 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.918 -1.935 4.705 1.00 0.00 H new ATOM 1561 N GLY A 106 9.106 1.672 6.361 1.00 0.00 N ATOM 1562 CA GLY A 106 9.413 3.073 6.586 1.00 0.00 C ATOM 1563 C GLY A 106 8.998 3.921 5.393 1.00 0.00 C ATOM 1564 O GLY A 106 9.425 3.659 4.268 1.00 0.00 O ATOM 0 H GLY A 106 9.232 1.368 5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 106 8.899 3.422 7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.482 3.190 6.766 1.00 0.00 H new ATOM 1568 N ARG A 107 8.136 4.909 5.616 1.00 0.00 N ATOM 1569 CA ARG A 107 7.641 5.741 4.520 1.00 0.00 C ATOM 1570 C ARG A 107 8.387 7.068 4.434 1.00 0.00 C ATOM 1571 O ARG A 107 8.659 7.710 5.448 1.00 0.00 O ATOM 1572 CB ARG A 107 6.148 6.019 4.688 1.00 0.00 C ATOM 1573 CG ARG A 107 5.306 4.763 4.761 1.00 0.00 C ATOM 1574 CD ARG A 107 4.160 4.792 3.760 1.00 0.00 C ATOM 1575 NE ARG A 107 2.859 4.807 4.423 1.00 0.00 N ATOM 1576 CZ ARG A 107 1.720 5.099 3.804 1.00 0.00 C ATOM 1577 NH1 ARG A 107 1.723 5.400 2.513 1.00 0.00 N ATOM 1578 NH2 ARG A 107 0.578 5.091 4.475 1.00 0.00 N ATOM 0 H ARG A 107 7.768 5.153 6.535 1.00 0.00 H new ATOM 0 HA ARG A 107 7.813 5.186 3.598 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.995 6.603 5.595 1.00 0.00 H new ATOM 0 HB3 ARG A 107 5.804 6.630 3.854 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.934 3.893 4.570 1.00 0.00 H new ATOM 0 HG3 ARG A 107 4.906 4.652 5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.254 5.673 3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.225 3.921 3.108 1.00 0.00 H new ATOM 0 HE ARG A 107 2.823 4.581 5.417 1.00 0.00 H new ATOM 0 HH11 ARG A 107 2.601 5.408 1.993 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.848 5.624 2.039 1.00 0.00 H new ATOM 0 HH21 ARG A 107 0.572 4.860 5.469 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -0.295 5.315 3.998 1.00 0.00 H new ATOM 1592 N GLY A 108 8.670 7.494 3.208 1.00 0.00 N ATOM 1593 CA GLY A 108 9.338 8.764 2.992 1.00 0.00 C ATOM 1594 C GLY A 108 8.475 9.752 2.226 1.00 0.00 C ATOM 1595 O GLY A 108 8.721 10.958 2.261 1.00 0.00 O ATOM 0 H GLY A 108 8.447 6.979 2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.611 9.196 3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 108 10.265 8.595 2.444 1.00 0.00 H new ATOM 1599 N VAL A 109 7.466 9.224 1.529 1.00 0.00 N ATOM 1600 CA VAL A 109 6.519 10.021 0.746 1.00 0.00 C ATOM 1601 C VAL A 109 7.127 11.313 0.187 1.00 0.00 C ATOM 1602 O VAL A 109 6.652 12.408 0.487 1.00 0.00 O ATOM 1603 CB VAL A 109 5.281 10.369 1.587 1.00 0.00 C ATOM 1604 CG1 VAL A 109 5.683 11.134 2.837 1.00 0.00 C ATOM 1605 CG2 VAL A 109 4.270 11.157 0.766 1.00 0.00 C ATOM 0 H VAL A 109 7.282 8.221 1.492 1.00 0.00 H new ATOM 0 HA VAL A 109 6.238 9.399 -0.104 1.00 0.00 H new ATOM 0 HB VAL A 109 4.805 9.438 1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.793 11.372 3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.357 10.522 3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 109 6.187 12.057 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.403 11.391 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 109 4.727 12.083 0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.955 10.562 -0.091 1.00 0.00 H new ATOM 1615 N PRO A 110 8.168 11.203 -0.658 1.00 0.00 N ATOM 1616 CA PRO A 110 8.817 12.344 -1.276 1.00 0.00 C ATOM 1617 C PRO A 110 8.260 12.627 -2.667 1.00 0.00 C ATOM 1618 O PRO A 110 7.376 11.915 -3.146 1.00 0.00 O ATOM 1619 CB PRO A 110 10.275 11.887 -1.364 1.00 0.00 C ATOM 1620 CG PRO A 110 10.239 10.382 -1.329 1.00 0.00 C ATOM 1621 CD PRO A 110 8.807 9.963 -1.094 1.00 0.00 C ATOM 0 HA PRO A 110 8.673 13.269 -0.717 1.00 0.00 H new ATOM 0 HB2 PRO A 110 10.742 12.245 -2.282 1.00 0.00 H new ATOM 0 HB3 PRO A 110 10.859 12.283 -0.533 1.00 0.00 H new ATOM 0 HG2 PRO A 110 10.610 9.969 -2.267 1.00 0.00 H new ATOM 0 HG3 PRO A 110 10.884 10.002 -0.536 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.348 9.570 -2.001 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.734 9.183 -0.336 1.00 0.00 H new ATOM 1629 N PRO A 111 8.782 13.659 -3.349 1.00 0.00 N ATOM 1630 CA PRO A 111 8.328 14.026 -4.693 1.00 0.00 C ATOM 1631 C PRO A 111 8.740 13.004 -5.740 1.00 0.00 C ATOM 1632 O PRO A 111 7.900 12.298 -6.299 1.00 0.00 O ATOM 1633 CB PRO A 111 9.008 15.379 -4.961 1.00 0.00 C ATOM 1634 CG PRO A 111 9.571 15.816 -3.647 1.00 0.00 C ATOM 1635 CD PRO A 111 9.832 14.562 -2.864 1.00 0.00 C ATOM 0 HA PRO A 111 7.240 14.072 -4.751 1.00 0.00 H new ATOM 0 HB2 PRO A 111 9.793 15.281 -5.710 1.00 0.00 H new ATOM 0 HB3 PRO A 111 8.293 16.108 -5.342 1.00 0.00 H new ATOM 0 HG2 PRO A 111 10.490 16.385 -3.787 1.00 0.00 H new ATOM 0 HG3 PRO A 111 8.871 16.465 -3.120 1.00 0.00 H new ATOM 0 HD2 PRO A 111 10.829 14.165 -3.055 1.00 0.00 H new ATOM 0 HD3 PRO A 111 9.757 14.731 -1.790 1.00 0.00 H new ATOM 1643 N ALA A 112 10.033 12.931 -5.997 1.00 0.00 N ATOM 1644 CA ALA A 112 10.565 12.017 -6.986 1.00 0.00 C ATOM 1645 C ALA A 112 10.322 10.564 -6.594 1.00 0.00 C ATOM 1646 O ALA A 112 11.052 10.000 -5.780 1.00 0.00 O ATOM 1647 CB ALA A 112 12.044 12.281 -7.176 1.00 0.00 C ATOM 0 H ALA A 112 10.738 13.500 -5.529 1.00 0.00 H new ATOM 0 HA ALA A 112 10.045 12.188 -7.928 1.00 0.00 H new ATOM 0 HB1 ALA A 112 12.444 11.593 -7.921 1.00 0.00 H new ATOM 0 HB2 ALA A 112 12.190 13.307 -7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 112 12.564 12.134 -6.230 1.00 0.00 H new ATOM 1653 N VAL A 113 9.293 9.964 -7.183 1.00 0.00 N ATOM 1654 CA VAL A 113 8.956 8.572 -6.902 1.00 0.00 C ATOM 1655 C VAL A 113 8.713 7.801 -8.195 1.00 0.00 C ATOM 1656 O VAL A 113 7.688 7.982 -8.855 1.00 0.00 O ATOM 1657 CB VAL A 113 7.710 8.464 -6.001 1.00 0.00 C ATOM 1658 CG1 VAL A 113 7.359 7.005 -5.739 1.00 0.00 C ATOM 1659 CG2 VAL A 113 7.935 9.209 -4.693 1.00 0.00 C ATOM 0 H VAL A 113 8.678 10.419 -7.858 1.00 0.00 H new ATOM 0 HA VAL A 113 9.806 8.136 -6.376 1.00 0.00 H new ATOM 0 HB VAL A 113 6.869 8.925 -6.519 1.00 0.00 H new ATOM 0 HG11 VAL A 113 6.477 6.952 -5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 113 7.153 6.505 -6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.196 6.513 -5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.046 9.123 -4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 113 8.789 8.778 -4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 113 8.131 10.261 -4.902 1.00 0.00 H new ATOM 1669 N ASN A 114 9.663 6.945 -8.555 1.00 0.00 N ATOM 1670 CA ASN A 114 9.558 6.149 -9.773 1.00 0.00 C ATOM 1671 C ASN A 114 8.298 5.290 -9.761 1.00 0.00 C ATOM 1672 O ASN A 114 8.335 4.124 -9.369 1.00 0.00 O ATOM 1673 CB ASN A 114 10.793 5.261 -9.933 1.00 0.00 C ATOM 1674 CG ASN A 114 12.081 6.003 -9.637 1.00 0.00 C ATOM 1675 OD1 ASN A 114 12.684 5.829 -8.578 1.00 0.00 O ATOM 1676 ND2 ASN A 114 12.511 6.839 -10.576 1.00 0.00 N ATOM 0 H ASN A 114 10.516 6.784 -8.020 1.00 0.00 H new ATOM 0 HA ASN A 114 9.497 6.834 -10.619 1.00 0.00 H new ATOM 0 HB2 ASN A 114 10.709 4.403 -9.265 1.00 0.00 H new ATOM 0 HB3 ASN A 114 10.827 4.871 -10.950 1.00 0.00 H new ATOM 0 HD21 ASN A 114 13.372 7.367 -10.433 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.980 6.953 -11.439 1.00 0.00 H new ATOM 1683 N ARG A 115 7.186 5.873 -10.196 1.00 0.00 N ATOM 1684 CA ARG A 115 5.916 5.156 -10.241 1.00 0.00 C ATOM 1685 C ARG A 115 5.898 4.156 -11.392 1.00 0.00 C ATOM 1686 O ARG A 115 5.232 3.123 -11.318 1.00 0.00 O ATOM 1687 CB ARG A 115 4.756 6.142 -10.391 1.00 0.00 C ATOM 1688 CG ARG A 115 4.829 7.321 -9.434 1.00 0.00 C ATOM 1689 CD ARG A 115 5.233 8.598 -10.152 1.00 0.00 C ATOM 1690 NE ARG A 115 4.080 9.306 -10.703 1.00 0.00 N ATOM 1691 CZ ARG A 115 4.175 10.409 -11.439 1.00 0.00 C ATOM 1692 NH1 ARG A 115 5.366 10.925 -11.712 1.00 0.00 N ATOM 1693 NH2 ARG A 115 3.080 10.995 -11.904 1.00 0.00 N ATOM 0 H ARG A 115 7.138 6.838 -10.522 1.00 0.00 H new ATOM 0 HA ARG A 115 5.802 4.609 -9.305 1.00 0.00 H new ATOM 0 HB2 ARG A 115 4.739 6.517 -11.414 1.00 0.00 H new ATOM 0 HB3 ARG A 115 3.817 5.612 -10.230 1.00 0.00 H new ATOM 0 HG2 ARG A 115 3.860 7.463 -8.955 1.00 0.00 H new ATOM 0 HG3 ARG A 115 5.547 7.105 -8.643 1.00 0.00 H new ATOM 0 HD2 ARG A 115 5.762 9.252 -9.458 1.00 0.00 H new ATOM 0 HD3 ARG A 115 5.928 8.357 -10.956 1.00 0.00 H new ATOM 0 HE ARG A 115 3.150 8.933 -10.512 1.00 0.00 H new ATOM 0 HH11 ARG A 115 6.210 10.475 -11.357 1.00 0.00 H new ATOM 0 HH12 ARG A 115 5.438 11.771 -12.277 1.00 0.00 H new ATOM 0 HH21 ARG A 115 2.163 10.600 -11.697 1.00 0.00 H new ATOM 0 HH22 ARG A 115 3.155 11.841 -12.469 1.00 0.00 H new ATOM 1707 N ARG A 116 6.633 4.470 -12.454 1.00 0.00 N ATOM 1708 CA ARG A 116 6.700 3.600 -13.621 1.00 0.00 C ATOM 1709 C ARG A 116 5.305 3.302 -14.157 1.00 0.00 C ATOM 1710 O ARG A 116 4.559 2.515 -13.574 1.00 0.00 O ATOM 1711 CB ARG A 116 7.413 2.293 -13.268 1.00 0.00 C ATOM 1712 CG ARG A 116 8.873 2.479 -12.889 1.00 0.00 C ATOM 1713 CD ARG A 116 9.748 2.678 -14.117 1.00 0.00 C ATOM 1714 NE ARG A 116 11.081 3.162 -13.768 1.00 0.00 N ATOM 1715 CZ ARG A 116 12.055 2.377 -13.319 1.00 0.00 C ATOM 1716 NH1 ARG A 116 11.843 1.077 -13.163 1.00 0.00 N ATOM 1717 NH2 ARG A 116 13.240 2.892 -13.023 1.00 0.00 N ATOM 0 H ARG A 116 7.190 5.321 -12.530 1.00 0.00 H new ATOM 0 HA ARG A 116 7.265 4.117 -14.397 1.00 0.00 H new ATOM 0 HB2 ARG A 116 6.889 1.816 -12.440 1.00 0.00 H new ATOM 0 HB3 ARG A 116 7.351 1.614 -14.118 1.00 0.00 H new ATOM 0 HG2 ARG A 116 8.971 3.340 -12.228 1.00 0.00 H new ATOM 0 HG3 ARG A 116 9.219 1.608 -12.332 1.00 0.00 H new ATOM 0 HD2 ARG A 116 9.835 1.735 -14.657 1.00 0.00 H new ATOM 0 HD3 ARG A 116 9.270 3.388 -14.791 1.00 0.00 H new ATOM 0 HE ARG A 116 11.275 4.158 -13.875 1.00 0.00 H new ATOM 0 HH11 ARG A 116 10.931 0.678 -13.388 1.00 0.00 H new ATOM 0 HH12 ARG A 116 12.592 0.476 -12.818 1.00 0.00 H new ATOM 0 HH21 ARG A 116 13.405 3.892 -13.140 1.00 0.00 H new ATOM 0 HH22 ARG A 116 13.987 2.289 -12.678 1.00 0.00 H new ATOM 1731 N ARG A 117 4.957 3.938 -15.272 1.00 0.00 N ATOM 1732 CA ARG A 117 3.651 3.741 -15.887 1.00 0.00 C ATOM 1733 C ARG A 117 3.572 4.451 -17.236 1.00 0.00 C ATOM 1734 O ARG A 117 4.544 5.150 -17.593 1.00 0.00 O ATOM 1735 CB ARG A 117 2.546 4.258 -14.961 1.00 0.00 C ATOM 1736 CG ARG A 117 1.509 3.204 -14.605 1.00 0.00 C ATOM 1737 CD ARG A 117 0.560 3.699 -13.525 1.00 0.00 C ATOM 1738 NE ARG A 117 0.236 2.652 -12.558 1.00 0.00 N ATOM 1739 CZ ARG A 117 1.136 2.080 -11.764 1.00 0.00 C ATOM 1740 NH1 ARG A 117 2.407 2.451 -11.823 1.00 0.00 N ATOM 1741 NH2 ARG A 117 0.763 1.136 -10.910 1.00 0.00 N ATOM 1742 OXT ARG A 117 2.539 4.302 -17.921 1.00 0.00 O ATOM 0 H ARG A 117 5.562 4.594 -15.767 1.00 0.00 H new ATOM 0 HA ARG A 117 3.511 2.672 -16.050 1.00 0.00 H new ATOM 0 HB2 ARG A 117 2.999 4.635 -14.044 1.00 0.00 H new ATOM 0 HB3 ARG A 117 2.047 5.100 -15.440 1.00 0.00 H new ATOM 0 HG2 ARG A 117 0.940 2.936 -15.496 1.00 0.00 H new ATOM 0 HG3 ARG A 117 2.011 2.299 -14.263 1.00 0.00 H new ATOM 0 HD2 ARG A 117 1.011 4.545 -13.006 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -0.358 4.062 -13.988 1.00 0.00 H new ATOM 0 HE ARG A 117 -0.734 2.343 -12.489 1.00 0.00 H new ATOM 0 HH11 ARG A 117 2.697 3.177 -12.479 1.00 0.00 H new ATOM 0 HH12 ARG A 117 3.096 2.011 -11.213 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -0.215 0.849 -10.862 1.00 0.00 H new ATOM 0 HH22 ARG A 117 1.454 0.697 -10.301 1.00 0.00 H new TER 1756 ARG A 117