USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 388 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 GLN : amide:sc= -0.257 K(o=-0.84,f=-0.02) USER MOD Set 1.2: A 34 ASN : amide:sc= -0.584 K(o=-0.84,f=-0.02) USER MOD Single : A 6 GLN : amide:sc= -5.14! C(o=-5.1!,f=-2.2!) USER MOD Single : A 17 MET CE :methyl -150:sc= -0.283 (180deg=-0.84) USER MOD Single : A 21 GLN : amide:sc= -0.0404 X(o=-0.04,f=0) USER MOD Single : A 23 SER OG : rot -30:sc= 0.76 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.309 K(o=-0.31,f=-2.6!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0234 X(o=-0.023,f=-0.23) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 4 -21.029 -2.834 4.650 1.00 0.00 N ATOM 37 CA LEU A 4 -20.189 -3.147 3.507 1.00 0.00 C ATOM 38 C LEU A 4 -20.800 -2.533 2.245 1.00 0.00 C ATOM 39 O LEU A 4 -20.079 -2.054 1.372 1.00 0.00 O ATOM 40 CB LEU A 4 -19.960 -4.657 3.407 1.00 0.00 C ATOM 41 CG LEU A 4 -18.586 -5.158 3.852 1.00 0.00 C ATOM 42 CD1 LEU A 4 -18.688 -6.546 4.489 1.00 0.00 C ATOM 43 CD2 LEU A 4 -17.590 -5.133 2.691 1.00 0.00 C ATOM 0 HA LEU A 4 -19.200 -2.705 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -20.719 -5.160 4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -20.118 -4.960 2.372 1.00 0.00 H new ATOM 0 HG LEU A 4 -18.207 -4.479 4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -17.697 -6.879 4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -19.342 -6.499 5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -19.098 -7.250 3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -16.621 -5.494 3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -17.952 -5.774 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -17.487 -4.113 2.322 1.00 0.00 H new ATOM 54 N ILE A 5 -22.124 -2.567 2.192 1.00 0.00 N ATOM 55 CA ILE A 5 -22.841 -2.020 1.052 1.00 0.00 C ATOM 56 C ILE A 5 -22.419 -0.564 0.842 1.00 0.00 C ATOM 57 O ILE A 5 -22.203 -0.135 -0.291 1.00 0.00 O ATOM 58 CB ILE A 5 -24.349 -2.204 1.230 1.00 0.00 C ATOM 59 CG1 ILE A 5 -24.675 -3.614 1.724 1.00 0.00 C ATOM 60 CG2 ILE A 5 -25.098 -1.860 -0.059 1.00 0.00 C ATOM 61 CD1 ILE A 5 -23.838 -4.661 0.985 1.00 0.00 C ATOM 0 H ILE A 5 -22.718 -2.964 2.919 1.00 0.00 H new ATOM 0 HA ILE A 5 -22.583 -2.562 0.142 1.00 0.00 H new ATOM 0 HB ILE A 5 -24.690 -1.508 1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -24.485 -3.681 2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -25.735 -3.819 1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -26.168 -1.999 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -24.902 -0.822 -0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -24.758 -2.513 -0.863 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -24.089 -5.655 1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -24.049 -4.608 -0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -22.779 -4.467 1.156 1.00 0.00 H new ATOM 72 N GLN A 6 -22.315 0.154 1.949 1.00 0.00 N ATOM 73 CA GLN A 6 -21.922 1.553 1.901 1.00 0.00 C ATOM 74 C GLN A 6 -20.552 1.697 1.236 1.00 0.00 C ATOM 75 O GLN A 6 -20.395 2.465 0.289 1.00 0.00 O ATOM 76 CB GLN A 6 -21.922 2.171 3.300 1.00 0.00 C ATOM 77 CG GLN A 6 -23.242 2.891 3.582 1.00 0.00 C ATOM 78 CD GLN A 6 -22.994 4.275 4.185 1.00 0.00 C ATOM 79 OE1 GLN A 6 -23.694 5.235 3.909 1.00 0.00 O ATOM 80 NE2 GLN A 6 -21.960 4.325 5.020 1.00 0.00 N ATOM 0 H GLN A 6 -22.496 -0.206 2.886 1.00 0.00 H new ATOM 0 HA GLN A 6 -22.653 2.095 1.301 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -21.762 1.392 4.045 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -21.094 2.874 3.391 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -23.811 2.990 2.658 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -23.846 2.295 4.266 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -21.415 3.484 5.208 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -21.712 5.205 5.473 1.00 0.00 H new ATOM 87 N VAL A 7 -19.595 0.946 1.759 1.00 0.00 N ATOM 88 CA VAL A 7 -18.242 0.981 1.229 1.00 0.00 C ATOM 89 C VAL A 7 -18.244 0.425 -0.196 1.00 0.00 C ATOM 90 O VAL A 7 -17.663 1.025 -1.101 1.00 0.00 O ATOM 91 CB VAL A 7 -17.294 0.226 2.163 1.00 0.00 C ATOM 92 CG1 VAL A 7 -15.990 -0.134 1.448 1.00 0.00 C ATOM 93 CG2 VAL A 7 -17.018 1.033 3.433 1.00 0.00 C ATOM 0 H VAL A 7 -19.729 0.309 2.544 1.00 0.00 H new ATOM 0 HA VAL A 7 -17.878 2.007 1.178 1.00 0.00 H new ATOM 0 HB VAL A 7 -17.783 -0.703 2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.335 -0.670 2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -16.209 -0.766 0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.496 0.777 1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.342 0.474 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -16.560 1.986 3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -17.955 1.215 3.959 1.00 0.00 H new ATOM 103 N ARG A 8 -18.905 -0.712 -0.354 1.00 0.00 N ATOM 104 CA ARG A 8 -18.990 -1.355 -1.655 1.00 0.00 C ATOM 105 C ARG A 8 -19.554 -0.381 -2.692 1.00 0.00 C ATOM 106 O ARG A 8 -19.084 -0.339 -3.828 1.00 0.00 O ATOM 107 CB ARG A 8 -19.879 -2.598 -1.597 1.00 0.00 C ATOM 108 CG ARG A 8 -19.137 -3.775 -0.959 1.00 0.00 C ATOM 109 CD ARG A 8 -19.536 -5.097 -1.618 1.00 0.00 C ATOM 110 NE ARG A 8 -19.607 -6.168 -0.599 1.00 0.00 N ATOM 111 CZ ARG A 8 -19.824 -7.469 -0.884 1.00 0.00 C ATOM 112 NH1 ARG A 8 -19.991 -7.873 -2.161 1.00 0.00 N ATOM 113 NH2 ARG A 8 -19.870 -8.342 0.106 1.00 0.00 N ATOM 0 H ARG A 8 -19.387 -1.205 0.397 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.983 -1.656 -1.943 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -20.780 -2.378 -1.024 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -20.199 -2.868 -2.603 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -18.061 -3.627 -1.055 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -19.359 -3.815 0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -20.501 -4.990 -2.113 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -18.811 -5.363 -2.387 1.00 0.00 H new ATOM 0 HE ARG A 8 -19.484 -5.907 0.379 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -19.954 -7.193 -2.920 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -20.155 -8.859 -2.367 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -19.742 -8.029 1.068 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -20.033 -9.329 -0.092 1.00 0.00 H new ATOM 123 N ASP A 9 -20.551 0.378 -2.263 1.00 0.00 N ATOM 124 CA ASP A 9 -21.184 1.348 -3.140 1.00 0.00 C ATOM 125 C ASP A 9 -20.259 2.556 -3.309 1.00 0.00 C ATOM 126 O ASP A 9 -20.045 3.028 -4.423 1.00 0.00 O ATOM 127 CB ASP A 9 -22.506 1.844 -2.552 1.00 0.00 C ATOM 128 CG ASP A 9 -23.516 2.363 -3.577 1.00 0.00 C ATOM 129 OD1 ASP A 9 -24.038 1.600 -4.403 1.00 0.00 O ATOM 130 OD2 ASP A 9 -23.765 3.627 -3.504 1.00 0.00 O ATOM 0 H ASP A 9 -20.936 0.341 -1.319 1.00 0.00 H new ATOM 0 HA ASP A 9 -21.375 0.862 -4.097 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -22.965 1.029 -1.992 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -22.293 2.640 -1.839 1.00 0.00 H new ATOM 135 N LEU A 10 -19.736 3.022 -2.183 1.00 0.00 N ATOM 136 CA LEU A 10 -18.840 4.165 -2.191 1.00 0.00 C ATOM 137 C LEU A 10 -17.654 3.872 -3.113 1.00 0.00 C ATOM 138 O LEU A 10 -17.331 4.672 -3.989 1.00 0.00 O ATOM 139 CB LEU A 10 -18.432 4.536 -0.764 1.00 0.00 C ATOM 140 CG LEU A 10 -19.165 5.729 -0.146 1.00 0.00 C ATOM 141 CD1 LEU A 10 -18.969 6.990 -0.990 1.00 0.00 C ATOM 142 CD2 LEU A 10 -20.645 5.409 0.072 1.00 0.00 C ATOM 0 H LEU A 10 -19.916 2.628 -1.260 1.00 0.00 H new ATOM 0 HA LEU A 10 -19.347 5.043 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -18.589 3.667 -0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.363 4.748 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.731 5.927 0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.500 7.823 -0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.907 7.226 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -19.361 6.821 -1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -21.143 6.273 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -21.110 5.170 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -20.738 4.556 0.744 1.00 0.00 H new ATOM 153 N LEU A 11 -17.038 2.720 -2.884 1.00 0.00 N ATOM 154 CA LEU A 11 -15.896 2.312 -3.683 1.00 0.00 C ATOM 155 C LEU A 11 -16.289 2.304 -5.161 1.00 0.00 C ATOM 156 O LEU A 11 -15.434 2.445 -6.035 1.00 0.00 O ATOM 157 CB LEU A 11 -15.346 0.973 -3.185 1.00 0.00 C ATOM 158 CG LEU A 11 -14.219 1.053 -2.153 1.00 0.00 C ATOM 159 CD1 LEU A 11 -13.969 -0.312 -1.509 1.00 0.00 C ATOM 160 CD2 LEU A 11 -12.948 1.636 -2.772 1.00 0.00 C ATOM 0 H LEU A 11 -17.309 2.058 -2.157 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.080 3.027 -3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -16.168 0.403 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -14.985 0.409 -4.045 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.530 1.732 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.163 -0.228 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.877 -0.651 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.688 -1.031 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.163 1.682 -2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.621 1.003 -3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.152 2.640 -3.144 1.00 0.00 H new ATOM 171 N ALA A 12 -17.582 2.139 -5.396 1.00 0.00 N ATOM 172 CA ALA A 12 -18.098 2.110 -6.753 1.00 0.00 C ATOM 173 C ALA A 12 -18.390 3.540 -7.214 1.00 0.00 C ATOM 174 O ALA A 12 -17.829 4.004 -8.204 1.00 0.00 O ATOM 175 CB ALA A 12 -19.338 1.216 -6.809 1.00 0.00 C ATOM 0 H ALA A 12 -18.288 2.024 -4.669 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.360 1.687 -7.435 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.725 1.194 -7.828 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -19.072 0.205 -6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.102 1.611 -6.139 1.00 0.00 H new ATOM 181 N LEU A 13 -19.267 4.200 -6.470 1.00 0.00 N ATOM 182 CA LEU A 13 -19.641 5.567 -6.789 1.00 0.00 C ATOM 183 C LEU A 13 -18.384 6.439 -6.821 1.00 0.00 C ATOM 184 O LEU A 13 -18.068 7.041 -7.847 1.00 0.00 O ATOM 185 CB LEU A 13 -20.713 6.070 -5.821 1.00 0.00 C ATOM 186 CG LEU A 13 -22.156 5.698 -6.167 1.00 0.00 C ATOM 187 CD1 LEU A 13 -22.277 4.207 -6.485 1.00 0.00 C ATOM 188 CD2 LEU A 13 -23.115 6.126 -5.054 1.00 0.00 C ATOM 0 H LEU A 13 -19.729 3.813 -5.647 1.00 0.00 H new ATOM 0 HA LEU A 13 -20.092 5.617 -7.780 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -20.487 5.683 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -20.642 7.156 -5.764 1.00 0.00 H new ATOM 0 HG LEU A 13 -22.442 6.243 -7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -23.313 3.970 -6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -21.640 3.964 -7.336 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -21.964 3.624 -5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -24.134 5.850 -5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -22.839 5.628 -4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -23.056 7.206 -4.918 1.00 0.00 H new ATOM 199 N ARG A 14 -17.701 6.480 -5.687 1.00 0.00 N ATOM 200 CA ARG A 14 -16.486 7.269 -5.572 1.00 0.00 C ATOM 201 C ARG A 14 -15.339 6.589 -6.323 1.00 0.00 C ATOM 202 O ARG A 14 -14.276 7.180 -6.506 1.00 0.00 O ATOM 203 CB ARG A 14 -16.087 7.455 -4.107 1.00 0.00 C ATOM 204 CG ARG A 14 -16.933 8.543 -3.443 1.00 0.00 C ATOM 205 CD ARG A 14 -18.385 8.477 -3.921 1.00 0.00 C ATOM 206 NE ARG A 14 -19.230 9.374 -3.102 1.00 0.00 N ATOM 207 CZ ARG A 14 -20.388 9.921 -3.528 1.00 0.00 C ATOM 208 NH1 ARG A 14 -20.851 9.665 -4.770 1.00 0.00 N ATOM 209 NH2 ARG A 14 -21.062 10.710 -2.711 1.00 0.00 N ATOM 0 H ARG A 14 -17.966 5.979 -4.839 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.683 8.247 -6.010 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -16.211 6.514 -3.570 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -15.032 7.721 -4.045 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -16.897 8.426 -2.360 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -16.515 9.524 -3.672 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -18.444 8.766 -4.970 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -18.753 7.453 -3.851 1.00 0.00 H new ATOM 0 HE ARG A 14 -18.918 9.593 -2.156 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -20.325 9.054 -5.395 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -21.727 10.083 -5.084 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -20.706 10.898 -1.774 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -21.939 11.132 -3.017 1.00 0.00 H new ATOM 219 N GLY A 15 -15.594 5.357 -6.739 1.00 0.00 N ATOM 220 CA GLY A 15 -14.597 4.590 -7.466 1.00 0.00 C ATOM 221 C GLY A 15 -13.382 4.295 -6.584 1.00 0.00 C ATOM 222 O GLY A 15 -13.514 4.144 -5.370 1.00 0.00 O ATOM 0 H GLY A 15 -16.478 4.871 -6.586 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.035 3.654 -7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.283 5.142 -8.352 1.00 0.00 H new ATOM 226 N ARG A 16 -12.226 4.223 -7.228 1.00 0.00 N ATOM 227 CA ARG A 16 -10.989 3.948 -6.518 1.00 0.00 C ATOM 228 C ARG A 16 -10.633 5.121 -5.601 1.00 0.00 C ATOM 229 O ARG A 16 -10.409 6.235 -6.071 1.00 0.00 O ATOM 230 CB ARG A 16 -9.836 3.705 -7.493 1.00 0.00 C ATOM 231 CG ARG A 16 -9.744 4.830 -8.526 1.00 0.00 C ATOM 232 CD ARG A 16 -8.290 5.252 -8.749 1.00 0.00 C ATOM 233 NE ARG A 16 -8.047 5.487 -10.190 1.00 0.00 N ATOM 234 CZ ARG A 16 -7.671 4.526 -11.060 1.00 0.00 C ATOM 235 NH1 ARG A 16 -7.492 3.254 -10.642 1.00 0.00 N ATOM 236 NH2 ARG A 16 -7.481 4.847 -12.326 1.00 0.00 N ATOM 0 H ARG A 16 -12.120 4.351 -8.234 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.141 3.048 -5.922 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.898 3.635 -6.942 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.979 2.751 -8.001 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.179 4.499 -9.469 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.327 5.687 -8.189 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.075 6.158 -8.183 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.617 4.478 -8.380 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.171 6.434 -10.548 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.641 3.013 -9.662 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.208 2.534 -11.306 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.618 5.810 -12.634 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.197 4.133 -12.996 1.00 0.00 H new ATOM 246 N MET A 17 -10.592 4.829 -4.309 1.00 0.00 N ATOM 247 CA MET A 17 -10.266 5.844 -3.322 1.00 0.00 C ATOM 248 C MET A 17 -9.667 5.214 -2.064 1.00 0.00 C ATOM 249 O MET A 17 -9.805 4.012 -1.841 1.00 0.00 O ATOM 250 CB MET A 17 -11.531 6.620 -2.952 1.00 0.00 C ATOM 251 CG MET A 17 -12.063 7.407 -4.151 1.00 0.00 C ATOM 252 SD MET A 17 -10.857 8.615 -4.671 1.00 0.00 S ATOM 253 CE MET A 17 -11.468 8.978 -6.309 1.00 0.00 C ATOM 0 H MET A 17 -10.779 3.904 -3.923 1.00 0.00 H new ATOM 0 HA MET A 17 -9.527 6.520 -3.753 1.00 0.00 H new ATOM 0 HB2 MET A 17 -12.296 5.928 -2.599 1.00 0.00 H new ATOM 0 HB3 MET A 17 -11.315 7.304 -2.131 1.00 0.00 H new ATOM 0 HG2 MET A 17 -12.286 6.727 -4.973 1.00 0.00 H new ATOM 0 HG3 MET A 17 -12.996 7.904 -3.886 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.635 9.256 -6.955 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.964 8.097 -6.716 1.00 0.00 H new ATOM 0 HE3 MET A 17 -12.179 9.803 -6.258 1.00 0.00 H new ATOM 261 N GLU A 18 -9.014 6.053 -1.273 1.00 0.00 N ATOM 262 CA GLU A 18 -8.393 5.593 -0.043 1.00 0.00 C ATOM 263 C GLU A 18 -9.463 5.184 0.971 1.00 0.00 C ATOM 264 O GLU A 18 -10.600 5.649 0.901 1.00 0.00 O ATOM 265 CB GLU A 18 -7.468 6.663 0.538 1.00 0.00 C ATOM 266 CG GLU A 18 -8.155 8.030 0.560 1.00 0.00 C ATOM 267 CD GLU A 18 -8.122 8.639 1.964 1.00 0.00 C ATOM 268 OE1 GLU A 18 -9.120 9.222 2.411 1.00 0.00 O ATOM 269 OE2 GLU A 18 -7.008 8.487 2.597 1.00 0.00 O ATOM 0 H GLU A 18 -8.902 7.049 -1.460 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.784 4.719 -0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.174 6.384 1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.555 6.720 -0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.660 8.701 -0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.188 7.927 0.229 1.00 0.00 H new ATOM 275 N ALA A 19 -9.062 4.319 1.892 1.00 0.00 N ATOM 276 CA ALA A 19 -9.972 3.843 2.919 1.00 0.00 C ATOM 277 C ALA A 19 -10.352 5.006 3.837 1.00 0.00 C ATOM 278 O ALA A 19 -11.525 5.192 4.158 1.00 0.00 O ATOM 279 CB ALA A 19 -9.323 2.686 3.681 1.00 0.00 C ATOM 0 H ALA A 19 -8.118 3.936 1.948 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.890 3.463 2.471 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.006 2.329 4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.101 1.874 2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.399 3.030 4.146 1.00 0.00 H new ATOM 285 N ALA A 20 -9.337 5.760 4.234 1.00 0.00 N ATOM 286 CA ALA A 20 -9.550 6.900 5.110 1.00 0.00 C ATOM 287 C ALA A 20 -10.775 7.682 4.633 1.00 0.00 C ATOM 288 O ALA A 20 -11.545 8.192 5.445 1.00 0.00 O ATOM 289 CB ALA A 20 -8.285 7.762 5.143 1.00 0.00 C ATOM 0 H ALA A 20 -8.365 5.604 3.965 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.746 6.569 6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.444 8.617 5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.450 7.169 5.516 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.059 8.115 4.137 1.00 0.00 H new ATOM 295 N GLN A 21 -10.918 7.751 3.318 1.00 0.00 N ATOM 296 CA GLN A 21 -12.038 8.462 2.723 1.00 0.00 C ATOM 297 C GLN A 21 -13.342 7.700 2.969 1.00 0.00 C ATOM 298 O GLN A 21 -14.330 8.281 3.416 1.00 0.00 O ATOM 299 CB GLN A 21 -11.810 8.692 1.227 1.00 0.00 C ATOM 300 CG GLN A 21 -11.248 10.090 0.967 1.00 0.00 C ATOM 301 CD GLN A 21 -12.326 11.018 0.402 1.00 0.00 C ATOM 302 OE1 GLN A 21 -12.185 11.602 -0.659 1.00 0.00 O ATOM 303 NE2 GLN A 21 -13.407 11.121 1.170 1.00 0.00 N ATOM 0 H GLN A 21 -10.277 7.327 2.647 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.116 9.439 3.199 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.120 7.941 0.841 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.750 8.568 0.689 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.855 10.506 1.895 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.415 10.027 0.267 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.460 10.604 2.048 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.183 11.717 0.881 1.00 0.00 H new ATOM 310 N ILE A 22 -13.302 6.411 2.667 1.00 0.00 N ATOM 311 CA ILE A 22 -14.468 5.563 2.849 1.00 0.00 C ATOM 312 C ILE A 22 -14.886 5.587 4.321 1.00 0.00 C ATOM 313 O ILE A 22 -16.062 5.763 4.633 1.00 0.00 O ATOM 314 CB ILE A 22 -14.198 4.158 2.309 1.00 0.00 C ATOM 315 CG1 ILE A 22 -14.195 4.149 0.778 1.00 0.00 C ATOM 316 CG2 ILE A 22 -15.192 3.148 2.886 1.00 0.00 C ATOM 317 CD1 ILE A 22 -13.034 3.312 0.238 1.00 0.00 C ATOM 0 H ILE A 22 -12.480 5.933 2.297 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.310 5.944 2.272 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.203 3.853 2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -15.139 3.747 0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -14.117 5.170 0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -14.978 2.157 2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.101 3.128 3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.206 3.438 2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -13.054 3.322 -0.852 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.090 3.731 0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.129 2.286 0.593 1.00 0.00 H new ATOM 328 N SER A 23 -13.898 5.406 5.186 1.00 0.00 N ATOM 329 CA SER A 23 -14.149 5.404 6.616 1.00 0.00 C ATOM 330 C SER A 23 -14.857 6.697 7.026 1.00 0.00 C ATOM 331 O SER A 23 -15.789 6.670 7.829 1.00 0.00 O ATOM 332 CB SER A 23 -12.846 5.242 7.403 1.00 0.00 C ATOM 333 OG SER A 23 -12.007 6.389 7.289 1.00 0.00 O ATOM 0 H SER A 23 -12.923 5.260 4.923 1.00 0.00 H new ATOM 0 HA SER A 23 -14.792 4.555 6.848 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.077 5.065 8.453 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.311 4.364 7.041 1.00 0.00 H new ATOM 0 HG SER A 23 -12.158 6.820 6.422 1.00 0.00 H new ATOM 338 N GLN A 24 -14.390 7.797 6.455 1.00 0.00 N ATOM 339 CA GLN A 24 -14.967 9.097 6.750 1.00 0.00 C ATOM 340 C GLN A 24 -16.437 9.133 6.324 1.00 0.00 C ATOM 341 O GLN A 24 -17.295 9.587 7.080 1.00 0.00 O ATOM 342 CB GLN A 24 -14.173 10.217 6.074 1.00 0.00 C ATOM 343 CG GLN A 24 -13.206 10.875 7.060 1.00 0.00 C ATOM 344 CD GLN A 24 -11.915 11.302 6.359 1.00 0.00 C ATOM 345 OE1 GLN A 24 -10.860 10.715 6.536 1.00 0.00 O ATOM 346 NE2 GLN A 24 -12.056 12.353 5.558 1.00 0.00 N ATOM 0 H GLN A 24 -13.618 7.815 5.789 1.00 0.00 H new ATOM 0 HA GLN A 24 -14.916 9.260 7.827 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.617 9.814 5.228 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -14.859 10.966 5.677 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.681 11.744 7.516 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.973 10.179 7.866 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.968 12.797 5.456 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.252 12.715 5.046 1.00 0.00 H new ATOM 353 N THR A 25 -16.682 8.650 5.115 1.00 0.00 N ATOM 354 CA THR A 25 -18.032 8.622 4.580 1.00 0.00 C ATOM 355 C THR A 25 -19.005 8.053 5.616 1.00 0.00 C ATOM 356 O THR A 25 -20.165 8.459 5.671 1.00 0.00 O ATOM 357 CB THR A 25 -18.007 7.829 3.272 1.00 0.00 C ATOM 358 OG1 THR A 25 -17.518 8.760 2.311 1.00 0.00 O ATOM 359 CG2 THR A 25 -19.409 7.478 2.771 1.00 0.00 C ATOM 0 H THR A 25 -15.968 8.275 4.491 1.00 0.00 H new ATOM 0 HA THR A 25 -18.390 9.628 4.360 1.00 0.00 H new ATOM 0 HB THR A 25 -17.434 6.913 3.415 1.00 0.00 H new ATOM 0 HG1 THR A 25 -17.468 8.328 1.433 1.00 0.00 H new ATOM 0 HG21 THR A 25 -19.333 6.916 1.840 1.00 0.00 H new ATOM 0 HG22 THR A 25 -19.922 6.874 3.519 1.00 0.00 H new ATOM 0 HG23 THR A 25 -19.973 8.394 2.596 1.00 0.00 H new ATOM 367 N LEU A 26 -18.495 7.124 6.410 1.00 0.00 N ATOM 368 CA LEU A 26 -19.304 6.496 7.441 1.00 0.00 C ATOM 369 C LEU A 26 -18.733 6.847 8.817 1.00 0.00 C ATOM 370 O LEU A 26 -18.944 6.119 9.786 1.00 0.00 O ATOM 371 CB LEU A 26 -19.420 4.991 7.190 1.00 0.00 C ATOM 372 CG LEU A 26 -18.462 4.411 6.147 1.00 0.00 C ATOM 373 CD1 LEU A 26 -18.262 2.909 6.363 1.00 0.00 C ATOM 374 CD2 LEU A 26 -18.937 4.727 4.728 1.00 0.00 C ATOM 0 H LEU A 26 -17.532 6.791 6.361 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.323 6.880 7.411 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.256 4.471 8.134 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.441 4.772 6.878 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.490 4.888 6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.577 2.521 5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -17.845 2.736 7.355 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.221 2.398 6.279 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.238 4.303 4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.926 4.296 4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -18.987 5.807 4.593 1.00 0.00 H new ATOM 385 N ASN A 27 -18.019 7.963 8.858 1.00 0.00 N ATOM 386 CA ASN A 27 -17.415 8.419 10.099 1.00 0.00 C ATOM 387 C ASN A 27 -16.925 7.209 10.898 1.00 0.00 C ATOM 388 O ASN A 27 -16.965 7.215 12.127 1.00 0.00 O ATOM 389 CB ASN A 27 -18.429 9.174 10.960 1.00 0.00 C ATOM 390 CG ASN A 27 -17.825 10.466 11.514 1.00 0.00 C ATOM 391 OD1 ASN A 27 -16.834 10.979 11.021 1.00 0.00 O ATOM 392 ND2 ASN A 27 -18.474 10.959 12.564 1.00 0.00 N ATOM 0 H ASN A 27 -17.845 8.564 8.053 1.00 0.00 H new ATOM 0 HA ASN A 27 -16.589 9.084 9.847 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -19.313 9.407 10.367 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -18.756 8.539 11.783 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -18.148 11.818 13.008 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -19.298 10.478 12.926 1.00 0.00 H new ATOM 398 N THR A 28 -16.473 6.202 10.166 1.00 0.00 N ATOM 399 CA THR A 28 -15.974 4.988 10.791 1.00 0.00 C ATOM 400 C THR A 28 -14.478 5.114 11.083 1.00 0.00 C ATOM 401 O THR A 28 -13.803 5.974 10.520 1.00 0.00 O ATOM 402 CB THR A 28 -16.318 3.811 9.876 1.00 0.00 C ATOM 403 OG1 THR A 28 -16.907 2.852 10.751 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.072 3.106 9.335 1.00 0.00 C ATOM 0 H THR A 28 -16.442 6.201 9.146 1.00 0.00 H new ATOM 0 HA THR A 28 -16.448 4.817 11.758 1.00 0.00 H new ATOM 0 HB THR A 28 -16.925 4.164 9.043 1.00 0.00 H new ATOM 0 HG1 THR A 28 -17.162 2.056 10.240 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.372 2.279 8.692 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.474 3.814 8.761 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.481 2.723 10.167 1.00 0.00 H new ATOM 412 N PRO A 29 -13.992 4.221 11.986 1.00 0.00 N ATOM 413 CA PRO A 29 -12.587 4.224 12.360 1.00 0.00 C ATOM 414 C PRO A 29 -11.723 3.623 11.250 1.00 0.00 C ATOM 415 O PRO A 29 -12.105 2.634 10.628 1.00 0.00 O ATOM 416 CB PRO A 29 -12.524 3.432 13.656 1.00 0.00 C ATOM 417 CG PRO A 29 -13.811 2.625 13.714 1.00 0.00 C ATOM 418 CD PRO A 29 -14.763 3.189 12.673 1.00 0.00 C ATOM 0 HA PRO A 29 -12.192 5.230 12.503 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.652 2.778 13.672 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.440 4.096 14.516 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -13.610 1.572 13.517 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.254 2.684 14.708 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.095 2.416 11.980 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -15.656 3.606 13.138 1.00 0.00 H new ATOM 423 N GLN A 30 -10.574 4.248 11.035 1.00 0.00 N ATOM 424 CA GLN A 30 -9.653 3.788 10.010 1.00 0.00 C ATOM 425 C GLN A 30 -9.444 2.276 10.125 1.00 0.00 C ATOM 426 O GLN A 30 -9.592 1.550 9.143 1.00 0.00 O ATOM 427 CB GLN A 30 -8.320 4.534 10.097 1.00 0.00 C ATOM 428 CG GLN A 30 -7.882 5.037 8.721 1.00 0.00 C ATOM 429 CD GLN A 30 -7.309 3.896 7.877 1.00 0.00 C ATOM 430 OE1 GLN A 30 -6.310 3.281 8.214 1.00 0.00 O ATOM 431 NE2 GLN A 30 -7.994 3.649 6.764 1.00 0.00 N ATOM 0 H GLN A 30 -10.260 5.069 11.553 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.089 4.002 9.034 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.415 5.376 10.783 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.556 3.874 10.507 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.732 5.484 8.206 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.133 5.820 8.838 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.822 4.202 6.541 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.691 2.907 6.133 1.00 0.00 H new ATOM 438 N PRO A 31 -9.093 1.836 11.363 1.00 0.00 N ATOM 439 CA PRO A 31 -8.863 0.425 11.617 1.00 0.00 C ATOM 440 C PRO A 31 -10.184 -0.344 11.680 1.00 0.00 C ATOM 441 O PRO A 31 -10.449 -1.053 12.649 1.00 0.00 O ATOM 442 CB PRO A 31 -8.089 0.383 12.926 1.00 0.00 C ATOM 443 CG PRO A 31 -8.317 1.731 13.589 1.00 0.00 C ATOM 444 CD PRO A 31 -8.909 2.668 12.549 1.00 0.00 C ATOM 0 HA PRO A 31 -8.300 -0.060 10.819 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.441 -0.429 13.562 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.028 0.211 12.747 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.992 1.629 14.439 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.379 2.131 13.973 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.855 3.089 12.888 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.242 3.506 12.345 1.00 0.00 H new ATOM 449 N MET A 32 -10.979 -0.178 10.632 1.00 0.00 N ATOM 450 CA MET A 32 -12.266 -0.848 10.556 1.00 0.00 C ATOM 451 C MET A 32 -12.582 -1.266 9.118 1.00 0.00 C ATOM 452 O MET A 32 -12.954 -2.411 8.868 1.00 0.00 O ATOM 453 CB MET A 32 -13.361 0.090 11.068 1.00 0.00 C ATOM 454 CG MET A 32 -14.447 -0.690 11.812 1.00 0.00 C ATOM 455 SD MET A 32 -15.844 -0.969 10.736 1.00 0.00 S ATOM 456 CE MET A 32 -17.101 -1.333 11.950 1.00 0.00 C ATOM 0 H MET A 32 -10.756 0.411 9.829 1.00 0.00 H new ATOM 0 HA MET A 32 -12.225 -1.745 11.175 1.00 0.00 H new ATOM 0 HB2 MET A 32 -12.925 0.836 11.732 1.00 0.00 H new ATOM 0 HB3 MET A 32 -13.804 0.629 10.231 1.00 0.00 H new ATOM 0 HG2 MET A 32 -14.049 -1.643 12.159 1.00 0.00 H new ATOM 0 HG3 MET A 32 -14.763 -0.136 12.696 1.00 0.00 H new ATOM 0 HE1 MET A 32 -18.046 -1.533 11.446 1.00 0.00 H new ATOM 0 HE2 MET A 32 -16.806 -2.208 12.529 1.00 0.00 H new ATOM 0 HE3 MET A 32 -17.220 -0.480 12.618 1.00 0.00 H new ATOM 464 N ILE A 33 -12.422 -0.314 8.211 1.00 0.00 N ATOM 465 CA ILE A 33 -12.686 -0.568 6.805 1.00 0.00 C ATOM 466 C ILE A 33 -11.579 -1.458 6.236 1.00 0.00 C ATOM 467 O ILE A 33 -11.836 -2.304 5.381 1.00 0.00 O ATOM 468 CB ILE A 33 -12.866 0.748 6.047 1.00 0.00 C ATOM 469 CG1 ILE A 33 -14.033 1.556 6.621 1.00 0.00 C ATOM 470 CG2 ILE A 33 -13.026 0.499 4.546 1.00 0.00 C ATOM 471 CD1 ILE A 33 -15.326 0.739 6.606 1.00 0.00 C ATOM 0 H ILE A 33 -12.113 0.635 8.422 1.00 0.00 H new ATOM 0 HA ILE A 33 -13.625 -1.109 6.686 1.00 0.00 H new ATOM 0 HB ILE A 33 -11.964 1.345 6.180 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -13.802 1.859 7.642 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.169 2.468 6.040 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -13.152 1.451 4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.138 -0.005 4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -13.902 -0.127 4.372 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -16.139 1.336 7.019 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -15.567 0.458 5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -15.195 -0.160 7.208 1.00 0.00 H new ATOM 482 N ASN A 34 -10.372 -1.238 6.734 1.00 0.00 N ATOM 483 CA ASN A 34 -9.224 -2.009 6.286 1.00 0.00 C ATOM 484 C ASN A 34 -9.504 -3.499 6.497 1.00 0.00 C ATOM 485 O ASN A 34 -9.174 -4.323 5.644 1.00 0.00 O ATOM 486 CB ASN A 34 -7.971 -1.646 7.083 1.00 0.00 C ATOM 487 CG ASN A 34 -7.437 -0.273 6.671 1.00 0.00 C ATOM 488 OD1 ASN A 34 -7.089 -0.032 5.527 1.00 0.00 O ATOM 489 ND2 ASN A 34 -7.393 0.612 7.663 1.00 0.00 N ATOM 0 H ASN A 34 -10.163 -0.536 7.444 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.057 -1.785 5.232 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.201 -1.646 8.148 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.202 -2.402 6.923 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.053 1.558 7.488 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.700 0.345 8.598 1.00 0.00 H new ATOM 495 N ALA A 35 -10.109 -3.799 7.637 1.00 0.00 N ATOM 496 CA ALA A 35 -10.436 -5.175 7.970 1.00 0.00 C ATOM 497 C ALA A 35 -11.356 -5.751 6.892 1.00 0.00 C ATOM 498 O ALA A 35 -11.139 -6.864 6.416 1.00 0.00 O ATOM 499 CB ALA A 35 -11.065 -5.227 9.364 1.00 0.00 C ATOM 0 H ALA A 35 -10.381 -3.113 8.341 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.535 -5.789 7.996 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.310 -6.259 9.614 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.360 -4.834 10.096 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.974 -4.625 9.376 1.00 0.00 H new ATOM 505 N MET A 36 -12.366 -4.969 6.542 1.00 0.00 N ATOM 506 CA MET A 36 -13.320 -5.387 5.529 1.00 0.00 C ATOM 507 C MET A 36 -12.643 -5.539 4.166 1.00 0.00 C ATOM 508 O MET A 36 -12.864 -6.525 3.464 1.00 0.00 O ATOM 509 CB MET A 36 -14.444 -4.354 5.428 1.00 0.00 C ATOM 510 CG MET A 36 -14.884 -3.885 6.817 1.00 0.00 C ATOM 511 SD MET A 36 -16.638 -4.142 7.021 1.00 0.00 S ATOM 512 CE MET A 36 -16.648 -4.968 8.604 1.00 0.00 C ATOM 0 H MET A 36 -12.545 -4.048 6.942 1.00 0.00 H new ATOM 0 HA MET A 36 -13.729 -6.355 5.820 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.106 -3.499 4.842 1.00 0.00 H new ATOM 0 HB3 MET A 36 -15.294 -4.786 4.900 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.336 -4.432 7.585 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.645 -2.829 6.946 1.00 0.00 H new ATOM 0 HE1 MET A 36 -17.675 -5.203 8.885 1.00 0.00 H new ATOM 0 HE2 MET A 36 -16.070 -5.890 8.537 1.00 0.00 H new ATOM 0 HE3 MET A 36 -16.205 -4.316 9.357 1.00 0.00 H new ATOM 520 N LEU A 37 -11.831 -4.546 3.830 1.00 0.00 N ATOM 521 CA LEU A 37 -11.120 -4.557 2.563 1.00 0.00 C ATOM 522 C LEU A 37 -10.313 -5.852 2.447 1.00 0.00 C ATOM 523 O LEU A 37 -10.250 -6.454 1.377 1.00 0.00 O ATOM 524 CB LEU A 37 -10.275 -3.290 2.413 1.00 0.00 C ATOM 525 CG LEU A 37 -11.050 -1.989 2.195 1.00 0.00 C ATOM 526 CD1 LEU A 37 -10.208 -0.776 2.599 1.00 0.00 C ATOM 527 CD2 LEU A 37 -11.552 -1.884 0.754 1.00 0.00 C ATOM 0 H LEU A 37 -11.650 -3.729 4.413 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.824 -4.544 1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.661 -3.179 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.594 -3.429 1.574 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.928 -2.002 2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.782 0.136 2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.942 -0.852 3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.300 -0.747 1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.099 -0.950 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.703 -1.903 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.212 -2.724 0.536 1.00 0.00 H new ATOM 538 N GLN A 38 -9.716 -6.241 3.564 1.00 0.00 N ATOM 539 CA GLN A 38 -8.915 -7.454 3.601 1.00 0.00 C ATOM 540 C GLN A 38 -9.783 -8.673 3.282 1.00 0.00 C ATOM 541 O GLN A 38 -9.400 -9.518 2.476 1.00 0.00 O ATOM 542 CB GLN A 38 -8.224 -7.613 4.956 1.00 0.00 C ATOM 543 CG GLN A 38 -6.750 -7.983 4.779 1.00 0.00 C ATOM 544 CD GLN A 38 -6.363 -9.147 5.692 1.00 0.00 C ATOM 545 OE1 GLN A 38 -6.815 -9.263 6.820 1.00 0.00 O ATOM 546 NE2 GLN A 38 -5.503 -10.002 5.145 1.00 0.00 N ATOM 0 H GLN A 38 -9.771 -5.738 4.450 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.138 -7.377 2.841 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.304 -6.684 5.521 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.729 -8.384 5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.562 -8.253 3.740 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.125 -7.118 5.002 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.163 -9.847 4.196 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.183 -10.813 5.675 1.00 0.00 H new ATOM 553 N GLN A 39 -10.938 -8.724 3.930 1.00 0.00 N ATOM 554 CA GLN A 39 -11.863 -9.825 3.725 1.00 0.00 C ATOM 555 C GLN A 39 -12.291 -9.892 2.258 1.00 0.00 C ATOM 556 O GLN A 39 -12.253 -10.958 1.645 1.00 0.00 O ATOM 557 CB GLN A 39 -13.079 -9.698 4.646 1.00 0.00 C ATOM 558 CG GLN A 39 -13.415 -11.039 5.299 1.00 0.00 C ATOM 559 CD GLN A 39 -14.353 -10.849 6.492 1.00 0.00 C ATOM 560 OE1 GLN A 39 -13.940 -10.544 7.599 1.00 0.00 O ATOM 561 NE2 GLN A 39 -15.638 -11.044 6.207 1.00 0.00 N ATOM 0 H GLN A 39 -11.254 -8.020 4.597 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.353 -10.755 3.977 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.879 -8.954 5.417 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.937 -9.343 4.075 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.882 -11.697 4.566 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.498 -11.527 5.628 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.917 -11.298 5.259 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.344 -10.940 6.936 1.00 0.00 H new ATOM 568 N LEU A 40 -12.690 -8.741 1.737 1.00 0.00 N ATOM 569 CA LEU A 40 -13.125 -8.657 0.353 1.00 0.00 C ATOM 570 C LEU A 40 -11.974 -9.073 -0.565 1.00 0.00 C ATOM 571 O LEU A 40 -12.182 -9.788 -1.544 1.00 0.00 O ATOM 572 CB LEU A 40 -13.680 -7.264 0.050 1.00 0.00 C ATOM 573 CG LEU A 40 -14.861 -6.812 0.910 1.00 0.00 C ATOM 574 CD1 LEU A 40 -15.183 -5.336 0.667 1.00 0.00 C ATOM 575 CD2 LEU A 40 -16.081 -7.708 0.684 1.00 0.00 C ATOM 0 H LEU A 40 -12.721 -7.859 2.248 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.946 -9.350 0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.873 -6.540 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.986 -7.236 -0.996 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.577 -6.913 1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.027 -5.040 1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -14.314 -4.728 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -15.438 -5.187 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.906 -7.364 1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.376 -7.663 -0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.831 -8.736 0.947 1.00 0.00 H new ATOM 586 N GLU A 41 -10.783 -8.607 -0.217 1.00 0.00 N ATOM 587 CA GLU A 41 -9.598 -8.922 -0.997 1.00 0.00 C ATOM 588 C GLU A 41 -9.358 -10.432 -1.010 1.00 0.00 C ATOM 589 O GLU A 41 -9.171 -11.026 -2.073 1.00 0.00 O ATOM 590 CB GLU A 41 -8.375 -8.176 -0.461 1.00 0.00 C ATOM 591 CG GLU A 41 -7.132 -8.491 -1.295 1.00 0.00 C ATOM 592 CD GLU A 41 -5.959 -8.898 -0.401 1.00 0.00 C ATOM 593 OE1 GLU A 41 -5.087 -8.068 -0.107 1.00 0.00 O ATOM 594 OE2 GLU A 41 -5.974 -10.126 -0.007 1.00 0.00 O ATOM 0 H GLU A 41 -10.613 -8.013 0.595 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.763 -8.592 -2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.564 -7.103 -0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.201 -8.455 0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.355 -9.295 -1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.857 -7.618 -1.887 1.00 0.00 H new ATOM 600 N SER A 42 -9.371 -11.012 0.180 1.00 0.00 N ATOM 601 CA SER A 42 -9.156 -12.443 0.319 1.00 0.00 C ATOM 602 C SER A 42 -10.138 -13.208 -0.571 1.00 0.00 C ATOM 603 O SER A 42 -9.737 -14.088 -1.331 1.00 0.00 O ATOM 604 CB SER A 42 -9.306 -12.884 1.776 1.00 0.00 C ATOM 605 OG SER A 42 -8.813 -14.204 1.988 1.00 0.00 O ATOM 0 H SER A 42 -9.527 -10.517 1.058 1.00 0.00 H new ATOM 0 HA SER A 42 -8.137 -12.668 0.003 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.770 -12.189 2.422 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.357 -12.839 2.062 1.00 0.00 H new ATOM 0 HG SER A 42 -8.925 -14.448 2.931 1.00 0.00 H new ATOM 610 N MET A 43 -11.406 -12.844 -0.448 1.00 0.00 N ATOM 611 CA MET A 43 -12.448 -13.485 -1.231 1.00 0.00 C ATOM 612 C MET A 43 -12.237 -13.241 -2.727 1.00 0.00 C ATOM 613 O MET A 43 -12.346 -14.166 -3.531 1.00 0.00 O ATOM 614 CB MET A 43 -13.813 -12.936 -0.811 1.00 0.00 C ATOM 615 CG MET A 43 -14.245 -13.512 0.538 1.00 0.00 C ATOM 616 SD MET A 43 -15.997 -13.851 0.525 1.00 0.00 S ATOM 617 CE MET A 43 -16.105 -14.976 1.907 1.00 0.00 C ATOM 0 H MET A 43 -11.735 -12.113 0.183 1.00 0.00 H new ATOM 0 HA MET A 43 -12.407 -14.559 -1.048 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.768 -11.849 -0.748 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.556 -13.181 -1.570 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.691 -14.427 0.746 1.00 0.00 H new ATOM 0 HG3 MET A 43 -14.009 -12.808 1.336 1.00 0.00 H new ATOM 0 HE1 MET A 43 -17.140 -15.289 2.041 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.483 -15.850 1.714 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.757 -14.476 2.811 1.00 0.00 H new ATOM 625 N GLY A 44 -11.941 -11.992 -3.055 1.00 0.00 N ATOM 626 CA GLY A 44 -11.714 -11.616 -4.440 1.00 0.00 C ATOM 627 C GLY A 44 -12.845 -10.725 -4.958 1.00 0.00 C ATOM 628 O GLY A 44 -13.366 -10.948 -6.050 1.00 0.00 O ATOM 0 H GLY A 44 -11.853 -11.228 -2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.763 -11.090 -4.527 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.640 -12.512 -5.057 1.00 0.00 H new ATOM 632 N LYS A 45 -13.194 -9.735 -4.149 1.00 0.00 N ATOM 633 CA LYS A 45 -14.254 -8.810 -4.512 1.00 0.00 C ATOM 634 C LYS A 45 -13.636 -7.491 -4.979 1.00 0.00 C ATOM 635 O LYS A 45 -13.786 -7.105 -6.138 1.00 0.00 O ATOM 636 CB LYS A 45 -15.245 -8.650 -3.357 1.00 0.00 C ATOM 637 CG LYS A 45 -15.435 -9.973 -2.612 1.00 0.00 C ATOM 638 CD LYS A 45 -16.478 -10.850 -3.307 1.00 0.00 C ATOM 639 CE LYS A 45 -17.227 -11.718 -2.294 1.00 0.00 C ATOM 640 NZ LYS A 45 -18.669 -11.775 -2.626 1.00 0.00 N ATOM 0 H LYS A 45 -12.761 -9.553 -3.243 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.834 -9.204 -5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.884 -7.888 -2.666 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.204 -8.304 -3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.485 -10.504 -2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.746 -9.775 -1.586 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.186 -10.221 -3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.990 -11.486 -4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.809 -12.725 -2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.094 -11.313 -1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -19.163 -12.368 -1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -19.068 -10.815 -2.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.791 -12.182 -3.575 1.00 0.00 H new ATOM 649 N ALA A 46 -12.954 -6.833 -4.053 1.00 0.00 N ATOM 650 CA ALA A 46 -12.313 -5.565 -4.354 1.00 0.00 C ATOM 651 C ALA A 46 -10.883 -5.822 -4.834 1.00 0.00 C ATOM 652 O ALA A 46 -10.438 -6.968 -4.884 1.00 0.00 O ATOM 653 CB ALA A 46 -12.359 -4.662 -3.119 1.00 0.00 C ATOM 0 H ALA A 46 -12.832 -7.155 -3.093 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.843 -5.049 -5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.878 -3.711 -3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.397 -4.485 -2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.835 -5.146 -2.295 1.00 0.00 H new ATOM 659 N VAL A 47 -10.203 -4.738 -5.176 1.00 0.00 N ATOM 660 CA VAL A 47 -8.833 -4.833 -5.650 1.00 0.00 C ATOM 661 C VAL A 47 -8.009 -3.693 -5.047 1.00 0.00 C ATOM 662 O VAL A 47 -8.557 -2.661 -4.665 1.00 0.00 O ATOM 663 CB VAL A 47 -8.809 -4.842 -7.180 1.00 0.00 C ATOM 664 CG1 VAL A 47 -9.577 -6.045 -7.733 1.00 0.00 C ATOM 665 CG2 VAL A 47 -9.359 -3.532 -7.746 1.00 0.00 C ATOM 0 H VAL A 47 -10.575 -3.789 -5.134 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.380 -5.770 -5.324 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.770 -4.933 -7.498 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.545 -6.028 -8.822 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.120 -6.966 -7.371 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.614 -5.999 -7.400 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.330 -3.566 -8.835 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.388 -3.396 -7.414 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.751 -2.699 -7.393 1.00 0.00 H new ATOM 675 N ARG A 48 -6.705 -3.919 -4.980 1.00 0.00 N ATOM 676 CA ARG A 48 -5.800 -2.925 -4.430 1.00 0.00 C ATOM 677 C ARG A 48 -5.381 -1.930 -5.515 1.00 0.00 C ATOM 678 O ARG A 48 -5.121 -2.320 -6.652 1.00 0.00 O ATOM 679 CB ARG A 48 -4.550 -3.583 -3.841 1.00 0.00 C ATOM 680 CG ARG A 48 -4.720 -3.837 -2.342 1.00 0.00 C ATOM 681 CD ARG A 48 -3.919 -2.824 -1.520 1.00 0.00 C ATOM 682 NE ARG A 48 -3.535 -3.418 -0.220 1.00 0.00 N ATOM 683 CZ ARG A 48 -2.426 -4.163 -0.027 1.00 0.00 C ATOM 684 NH1 ARG A 48 -1.581 -4.412 -1.050 1.00 0.00 N ATOM 685 NH2 ARG A 48 -2.180 -4.644 1.178 1.00 0.00 N ATOM 0 H ARG A 48 -6.254 -4.777 -5.298 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.329 -2.400 -3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.355 -4.525 -4.353 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.684 -2.943 -4.009 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.775 -3.773 -2.076 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.391 -4.848 -2.101 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.027 -2.522 -2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.513 -1.925 -1.357 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.146 -3.254 0.580 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.778 -4.036 -1.977 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.745 -4.976 -0.895 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.823 -4.451 1.945 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.347 -5.209 1.341 1.00 0.00 H new ATOM 695 N ILE A 49 -5.328 -0.666 -5.124 1.00 0.00 N ATOM 696 CA ILE A 49 -4.945 0.388 -6.049 1.00 0.00 C ATOM 697 C ILE A 49 -3.656 1.049 -5.557 1.00 0.00 C ATOM 698 O ILE A 49 -3.393 1.085 -4.356 1.00 0.00 O ATOM 699 CB ILE A 49 -6.101 1.370 -6.252 1.00 0.00 C ATOM 700 CG1 ILE A 49 -7.292 0.684 -6.925 1.00 0.00 C ATOM 701 CG2 ILE A 49 -5.641 2.607 -7.025 1.00 0.00 C ATOM 702 CD1 ILE A 49 -6.874 0.031 -8.245 1.00 0.00 C ATOM 0 H ILE A 49 -5.544 -0.347 -4.179 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.735 -0.028 -7.034 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.436 1.709 -5.272 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.707 -0.071 -6.257 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.080 1.414 -7.110 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.482 3.288 -7.155 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.849 3.110 -6.469 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.263 2.306 -8.002 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.739 -0.449 -8.703 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.482 0.792 -8.920 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.103 -0.715 -8.054 1.00 0.00 H new ATOM 713 N GLN A 50 -2.888 1.556 -6.509 1.00 0.00 N ATOM 714 CA GLN A 50 -1.633 2.214 -6.188 1.00 0.00 C ATOM 715 C GLN A 50 -1.709 3.702 -6.536 1.00 0.00 C ATOM 716 O GLN A 50 -2.435 4.093 -7.449 1.00 0.00 O ATOM 717 CB GLN A 50 -0.461 1.542 -6.907 1.00 0.00 C ATOM 718 CG GLN A 50 0.836 2.321 -6.686 1.00 0.00 C ATOM 719 CD GLN A 50 2.055 1.404 -6.818 1.00 0.00 C ATOM 720 OE1 GLN A 50 2.436 0.987 -7.899 1.00 0.00 O ATOM 721 NE2 GLN A 50 2.641 1.115 -5.660 1.00 0.00 N ATOM 0 H GLN A 50 -3.111 1.525 -7.504 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.461 2.120 -5.116 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.343 0.521 -6.543 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.673 1.477 -7.974 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.906 3.132 -7.411 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.826 2.778 -5.697 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.270 1.498 -4.791 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.462 0.510 -5.641 1.00 0.00 H new ATOM 728 N GLU A 51 -0.951 4.491 -5.788 1.00 0.00 N ATOM 729 CA GLU A 51 -0.925 5.928 -6.006 1.00 0.00 C ATOM 730 C GLU A 51 0.318 6.319 -6.807 1.00 0.00 C ATOM 731 O GLU A 51 1.199 5.492 -7.040 1.00 0.00 O ATOM 732 CB GLU A 51 -0.981 6.685 -4.678 1.00 0.00 C ATOM 733 CG GLU A 51 -2.414 7.106 -4.347 1.00 0.00 C ATOM 734 CD GLU A 51 -2.529 8.628 -4.246 1.00 0.00 C ATOM 735 OE1 GLU A 51 -2.420 9.186 -3.144 1.00 0.00 O ATOM 736 OE2 GLU A 51 -2.738 9.235 -5.365 1.00 0.00 O ATOM 0 H GLU A 51 -0.351 4.163 -5.031 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.808 6.205 -6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.590 6.055 -3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.342 7.567 -4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.092 6.737 -5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.722 6.651 -3.406 1.00 0.00 H new ATOM 975 N ARG A 72 0.827 5.240 -0.485 1.00 0.00 N ATOM 976 CA ARG A 72 -0.530 5.148 0.029 1.00 0.00 C ATOM 977 C ARG A 72 -1.416 4.372 -0.948 1.00 0.00 C ATOM 978 O ARG A 72 -2.019 4.959 -1.845 1.00 0.00 O ATOM 979 CB ARG A 72 -1.129 6.538 0.256 1.00 0.00 C ATOM 980 CG ARG A 72 -1.054 6.932 1.732 1.00 0.00 C ATOM 981 CD ARG A 72 -2.453 7.031 2.344 1.00 0.00 C ATOM 982 NE ARG A 72 -2.587 8.297 3.099 1.00 0.00 N ATOM 983 CZ ARG A 72 -2.859 9.492 2.531 1.00 0.00 C ATOM 984 NH1 ARG A 72 -3.027 9.593 1.196 1.00 0.00 N ATOM 985 NH2 ARG A 72 -2.957 10.559 3.303 1.00 0.00 N ATOM 0 HA ARG A 72 -0.488 4.623 0.983 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.594 7.271 -0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.168 6.549 -0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.465 6.196 2.279 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.541 7.889 1.831 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.207 6.985 1.558 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.630 6.183 3.005 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.466 8.265 4.111 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.949 8.763 0.608 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.232 10.499 0.775 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.828 10.473 4.311 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.162 11.469 2.891 1.00 0.00 H new ATOM 995 N GLU A 73 -1.467 3.065 -0.740 1.00 0.00 N ATOM 996 CA GLU A 73 -2.268 2.202 -1.591 1.00 0.00 C ATOM 997 C GLU A 73 -3.752 2.548 -1.450 1.00 0.00 C ATOM 998 O GLU A 73 -4.234 2.787 -0.344 1.00 0.00 O ATOM 999 CB GLU A 73 -2.015 0.728 -1.272 1.00 0.00 C ATOM 1000 CG GLU A 73 -0.542 0.368 -1.470 1.00 0.00 C ATOM 1001 CD GLU A 73 -0.353 -0.499 -2.717 1.00 0.00 C ATOM 1002 OE1 GLU A 73 -1.275 -1.227 -3.112 1.00 0.00 O ATOM 1003 OE2 GLU A 73 0.802 -0.396 -3.282 1.00 0.00 O ATOM 0 H GLU A 73 -0.966 2.582 0.006 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.973 2.370 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.309 0.520 -0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.635 0.102 -1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.050 1.279 -1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.173 -0.164 -0.593 1.00 0.00 H new ATOM 1009 N TRP A 74 -4.435 2.563 -2.585 1.00 0.00 N ATOM 1010 CA TRP A 74 -5.854 2.875 -2.601 1.00 0.00 C ATOM 1011 C TRP A 74 -6.625 1.563 -2.759 1.00 0.00 C ATOM 1012 O TRP A 74 -6.031 0.517 -3.012 1.00 0.00 O ATOM 1013 CB TRP A 74 -6.178 3.895 -3.695 1.00 0.00 C ATOM 1014 CG TRP A 74 -5.926 5.347 -3.285 1.00 0.00 C ATOM 1015 CD1 TRP A 74 -5.708 5.833 -2.055 1.00 0.00 C ATOM 1016 CD2 TRP A 74 -5.876 6.491 -4.164 1.00 0.00 C ATOM 1017 NE1 TRP A 74 -5.521 7.199 -2.077 1.00 0.00 N ATOM 1018 CE2 TRP A 74 -5.626 7.613 -3.400 1.00 0.00 C ATOM 1019 CE3 TRP A 74 -6.035 6.575 -5.558 1.00 0.00 C ATOM 1020 CZ2 TRP A 74 -5.513 8.899 -3.940 1.00 0.00 C ATOM 1021 CZ3 TRP A 74 -5.920 7.868 -6.083 1.00 0.00 C ATOM 1022 CH2 TRP A 74 -5.670 9.007 -5.328 1.00 0.00 C ATOM 0 H TRP A 74 -4.032 2.364 -3.501 1.00 0.00 H new ATOM 0 HA TRP A 74 -6.157 3.345 -1.665 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.580 3.668 -4.578 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.224 3.785 -3.982 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.682 5.230 -1.159 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -5.339 7.796 -1.270 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -6.230 5.711 -6.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.316 9.761 -3.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.034 7.988 -7.150 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.597 9.971 -5.809 1.00 0.00 H new ATOM 1032 N TRP A 75 -7.937 1.662 -2.603 1.00 0.00 N ATOM 1033 CA TRP A 75 -8.795 0.496 -2.724 1.00 0.00 C ATOM 1034 C TRP A 75 -9.841 0.790 -3.803 1.00 0.00 C ATOM 1035 O TRP A 75 -10.264 1.933 -3.967 1.00 0.00 O ATOM 1036 CB TRP A 75 -9.415 0.128 -1.375 1.00 0.00 C ATOM 1037 CG TRP A 75 -8.396 -0.314 -0.322 1.00 0.00 C ATOM 1038 CD1 TRP A 75 -7.774 0.442 0.592 1.00 0.00 C ATOM 1039 CD2 TRP A 75 -7.904 -1.654 -0.111 1.00 0.00 C ATOM 1040 NE1 TRP A 75 -6.920 -0.309 1.374 1.00 0.00 N ATOM 1041 CE2 TRP A 75 -7.002 -1.625 0.932 1.00 0.00 C ATOM 1042 CE3 TRP A 75 -8.212 -2.852 -0.780 1.00 0.00 C ATOM 1043 CZ2 TRP A 75 -6.333 -2.762 1.400 1.00 0.00 C ATOM 1044 CZ3 TRP A 75 -7.535 -3.980 -0.301 1.00 0.00 C ATOM 1045 CH2 TRP A 75 -6.623 -3.967 0.749 1.00 0.00 C ATOM 0 H TRP A 75 -8.427 2.532 -2.394 1.00 0.00 H new ATOM 0 HA TRP A 75 -8.218 -0.378 -3.026 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -9.967 0.987 -0.994 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -10.138 -0.674 -1.525 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -7.922 1.506 0.703 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -6.336 0.037 2.136 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -8.915 -2.898 -1.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.631 -2.712 2.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -7.735 -4.927 -0.781 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -6.141 -4.882 1.061 1.00 0.00 H new ATOM 1055 N ALA A 76 -10.227 -0.262 -4.509 1.00 0.00 N ATOM 1056 CA ALA A 76 -11.215 -0.132 -5.567 1.00 0.00 C ATOM 1057 C ALA A 76 -11.897 -1.483 -5.791 1.00 0.00 C ATOM 1058 O ALA A 76 -11.543 -2.474 -5.155 1.00 0.00 O ATOM 1059 CB ALA A 76 -10.541 0.398 -6.833 1.00 0.00 C ATOM 0 H ALA A 76 -9.874 -1.209 -4.369 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.987 0.584 -5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.282 0.495 -7.626 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.098 1.373 -6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.762 -0.296 -7.148 1.00 0.00 H new ATOM 1065 N LEU A 77 -12.863 -1.479 -6.697 1.00 0.00 N ATOM 1066 CA LEU A 77 -13.598 -2.692 -7.013 1.00 0.00 C ATOM 1067 C LEU A 77 -13.029 -3.309 -8.292 1.00 0.00 C ATOM 1068 O LEU A 77 -12.382 -2.623 -9.082 1.00 0.00 O ATOM 1069 CB LEU A 77 -15.100 -2.405 -7.084 1.00 0.00 C ATOM 1070 CG LEU A 77 -15.648 -1.437 -6.034 1.00 0.00 C ATOM 1071 CD1 LEU A 77 -17.133 -1.154 -6.270 1.00 0.00 C ATOM 1072 CD2 LEU A 77 -15.382 -1.953 -4.619 1.00 0.00 C ATOM 0 H LEU A 77 -13.154 -0.655 -7.223 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.475 -3.430 -6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.327 -2.005 -8.072 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.635 -3.350 -6.992 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.119 -0.489 -6.136 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.497 -0.463 -5.510 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -17.267 -0.711 -7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -17.695 -2.086 -6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.782 -1.246 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.866 -2.921 -4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.308 -2.061 -4.467 1.00 0.00 H new ATOM 1083 N ARG A 78 -13.291 -4.596 -8.457 1.00 0.00 N ATOM 1084 CA ARG A 78 -12.813 -5.314 -9.627 1.00 0.00 C ATOM 1085 C ARG A 78 -13.419 -4.718 -10.899 1.00 0.00 C ATOM 1086 O ARG A 78 -13.944 -3.607 -10.878 1.00 0.00 O ATOM 1087 CB ARG A 78 -13.171 -6.799 -9.546 1.00 0.00 C ATOM 1088 CG ARG A 78 -12.464 -7.595 -10.646 1.00 0.00 C ATOM 1089 CD ARG A 78 -10.974 -7.754 -10.334 1.00 0.00 C ATOM 1090 NE ARG A 78 -10.211 -7.936 -11.590 1.00 0.00 N ATOM 1091 CZ ARG A 78 -9.026 -8.578 -11.668 1.00 0.00 C ATOM 1092 NH1 ARG A 78 -8.458 -9.106 -10.564 1.00 0.00 N ATOM 1093 NH2 ARG A 78 -8.432 -8.681 -12.843 1.00 0.00 N ATOM 0 H ARG A 78 -13.829 -5.161 -7.800 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.728 -5.215 -9.657 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.889 -7.192 -8.569 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.250 -6.922 -9.639 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.926 -8.577 -10.744 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.587 -7.088 -11.603 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.610 -6.876 -9.801 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.821 -8.611 -9.678 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.605 -7.553 -12.449 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.924 -9.022 -9.661 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.562 -9.589 -10.633 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.869 -8.279 -13.672 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.536 -9.163 -12.921 1.00 0.00 H new