USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 460 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 13 GLN : amide:sc= -0.0959 K(o=-0.071,f=-1.8) USER MOD Set 1.2: A 17 GLN : amide:sc= 0.0249 X(o=-0.071,f=-0.12) USER MOD Single : A 4 ASN : amide:sc= -0.452 K(o=-0.45,f=-1.5!) USER MOD Single : A 6 GLN : amide:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 7 THR OG1 : rot 91:sc= 0.568 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 149:sc= 1.21 (180deg=0.69) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= 0.559 K(o=0.56,f=0) USER MOD Single : A 27 SER OG : rot -43:sc= 0.467 USER MOD Single : A3291 THR OG1 : rot 180:sc= 0 USER MOD Single : A3295 GLN : amide:sc= -0.0892 X(o=-0.089,f=-0.089) USER MOD Single : A3299 SER OG : rot 180:sc= 0 USER MOD Single : A3301 GLN : amide:sc= -1.48! K(o=-1.5!,f=-0.11) USER MOD Single : A3302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A3306 ASN : amide:sc= 0.0429 X(o=0.043,f=-0.1) USER MOD Single : A3308 SER OG : rot 180:sc= 0 USER MOD Single : A3315 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A3317 ASN : amide:sc= -0.0767 X(o=-0.077,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N ILE A 3 -21.482 9.129 -5.269 1.00 0.00 N ATOM 33 CA ILE A 3 -20.163 8.862 -5.804 1.00 0.00 C ATOM 34 C ILE A 3 -19.494 7.758 -4.983 1.00 0.00 C ATOM 35 O ILE A 3 -19.324 7.827 -3.758 1.00 0.00 O ATOM 36 CB ILE A 3 -19.385 10.188 -5.901 1.00 0.00 C ATOM 37 CG1 ILE A 3 -18.161 10.037 -6.825 1.00 0.00 C ATOM 38 CG2 ILE A 3 -19.028 10.726 -4.508 1.00 0.00 C ATOM 39 CD1 ILE A 3 -17.585 11.394 -7.251 1.00 0.00 C ATOM 0 HA ILE A 3 -20.201 8.472 -6.821 1.00 0.00 H new ATOM 0 HB ILE A 3 -20.029 10.939 -6.359 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -17.390 9.462 -6.313 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -18.445 9.470 -7.712 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -18.479 11.662 -4.609 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -19.942 10.900 -3.940 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -18.409 9.998 -3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -16.724 11.236 -7.901 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -18.346 11.960 -7.788 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -17.275 11.951 -6.367 1.00 0.00 H new ATOM 51 N ASN A 4 -19.095 6.715 -5.690 1.00 0.00 N ATOM 52 CA ASN A 4 -18.449 5.559 -5.108 1.00 0.00 C ATOM 53 C ASN A 4 -16.931 5.669 -5.190 1.00 0.00 C ATOM 54 O ASN A 4 -16.268 5.382 -4.199 1.00 0.00 O ATOM 55 CB ASN A 4 -18.971 4.288 -5.790 1.00 0.00 C ATOM 56 CG ASN A 4 -18.761 4.373 -7.287 1.00 0.00 C ATOM 57 OD1 ASN A 4 -19.541 5.012 -7.986 1.00 0.00 O ATOM 58 ND2 ASN A 4 -17.640 3.898 -7.779 1.00 0.00 N ATOM 0 H ASN A 4 -19.214 6.650 -6.701 1.00 0.00 H new ATOM 0 HA ASN A 4 -18.695 5.509 -4.047 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -18.454 3.415 -5.392 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -20.031 4.158 -5.571 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -17.405 4.058 -8.759 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -17.005 3.369 -7.182 1.00 0.00 H new ATOM 65 N GLU A 5 -16.391 6.175 -6.299 1.00 0.00 N ATOM 66 CA GLU A 5 -14.957 6.335 -6.566 1.00 0.00 C ATOM 67 C GLU A 5 -14.295 7.231 -5.522 1.00 0.00 C ATOM 68 O GLU A 5 -13.207 6.959 -5.017 1.00 0.00 O ATOM 69 CB GLU A 5 -14.736 6.888 -7.975 1.00 0.00 C ATOM 70 CG GLU A 5 -15.317 5.935 -9.022 1.00 0.00 C ATOM 71 CD GLU A 5 -15.048 6.358 -10.461 1.00 0.00 C ATOM 72 OE1 GLU A 5 -13.979 6.935 -10.760 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.957 6.105 -11.289 1.00 0.00 O ATOM 0 H GLU A 5 -16.968 6.501 -7.075 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.490 5.352 -6.501 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.206 7.867 -8.066 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.670 7.028 -8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.902 4.940 -8.863 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.394 5.859 -8.872 1.00 0.00 H new ATOM 80 N GLN A 6 -15.006 8.280 -5.134 1.00 0.00 N ATOM 81 CA GLN A 6 -14.525 9.221 -4.137 1.00 0.00 C ATOM 82 C GLN A 6 -14.566 8.576 -2.755 1.00 0.00 C ATOM 83 O GLN A 6 -13.803 8.948 -1.865 1.00 0.00 O ATOM 84 CB GLN A 6 -15.414 10.457 -4.160 1.00 0.00 C ATOM 85 CG GLN A 6 -14.685 11.692 -3.646 1.00 0.00 C ATOM 86 CD GLN A 6 -15.495 12.940 -3.953 1.00 0.00 C ATOM 87 OE1 GLN A 6 -15.096 13.755 -4.780 1.00 0.00 O ATOM 88 NE2 GLN A 6 -16.643 13.137 -3.323 1.00 0.00 N ATOM 0 H GLN A 6 -15.931 8.501 -5.502 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.496 9.504 -4.360 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.759 10.637 -5.178 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -16.300 10.278 -3.550 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -14.524 11.608 -2.571 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.702 11.763 -4.111 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -16.971 12.458 -2.637 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -17.199 13.968 -3.524 1.00 0.00 H new ATOM 97 N THR A 7 -15.499 7.648 -2.540 1.00 0.00 N ATOM 98 CA THR A 7 -15.599 6.968 -1.260 1.00 0.00 C ATOM 99 C THR A 7 -14.439 5.988 -1.088 1.00 0.00 C ATOM 100 O THR A 7 -13.927 5.897 0.018 1.00 0.00 O ATOM 101 CB THR A 7 -16.931 6.246 -1.113 1.00 0.00 C ATOM 102 OG1 THR A 7 -17.993 7.175 -1.256 1.00 0.00 O ATOM 103 CG2 THR A 7 -17.016 5.591 0.268 1.00 0.00 C ATOM 0 H THR A 7 -16.188 7.356 -3.233 1.00 0.00 H new ATOM 0 HA THR A 7 -15.544 7.723 -0.476 1.00 0.00 H new ATOM 0 HB THR A 7 -17.008 5.479 -1.884 1.00 0.00 H new ATOM 0 HG1 THR A 7 -18.266 7.217 -2.196 1.00 0.00 H new ATOM 0 HG21 THR A 7 -17.971 5.076 0.368 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.203 4.874 0.381 1.00 0.00 H new ATOM 0 HG23 THR A 7 -16.934 6.357 1.039 1.00 0.00 H new ATOM 111 N LEU A 8 -13.950 5.331 -2.150 1.00 0.00 N ATOM 112 CA LEU A 8 -12.836 4.380 -2.079 1.00 0.00 C ATOM 113 C LEU A 8 -11.669 5.086 -1.400 1.00 0.00 C ATOM 114 O LEU A 8 -10.870 4.425 -0.763 1.00 0.00 O ATOM 115 CB LEU A 8 -12.340 3.891 -3.455 1.00 0.00 C ATOM 116 CG LEU A 8 -13.391 3.720 -4.558 1.00 0.00 C ATOM 117 CD1 LEU A 8 -12.767 3.275 -5.879 1.00 0.00 C ATOM 118 CD2 LEU A 8 -14.507 2.765 -4.174 1.00 0.00 C ATOM 0 H LEU A 8 -14.323 5.448 -3.092 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.196 3.507 -1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.587 4.594 -3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.840 2.933 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 8 -13.830 4.709 -4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -13.548 3.166 -6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.045 4.021 -6.210 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -12.262 2.319 -5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.218 2.687 -4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.088 1.781 -3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.018 3.140 -3.287 1.00 0.00 H new ATOM 130 N ASP A 9 -11.552 6.410 -1.527 1.00 0.00 N ATOM 131 CA ASP A 9 -10.494 7.214 -0.929 1.00 0.00 C ATOM 132 C ASP A 9 -10.373 6.960 0.577 1.00 0.00 C ATOM 133 O ASP A 9 -9.261 6.798 1.082 1.00 0.00 O ATOM 134 CB ASP A 9 -10.737 8.698 -1.203 1.00 0.00 C ATOM 135 CG ASP A 9 -9.477 9.523 -0.979 1.00 0.00 C ATOM 136 OD1 ASP A 9 -9.587 10.674 -0.497 1.00 0.00 O ATOM 137 OD2 ASP A 9 -8.373 9.103 -1.382 1.00 0.00 O ATOM 0 H ASP A 9 -12.215 6.966 -2.067 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.551 6.918 -1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.080 8.828 -2.230 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.532 9.063 -0.553 1.00 0.00 H new ATOM 142 N LYS A 10 -11.495 6.895 1.311 1.00 0.00 N ATOM 143 CA LYS A 10 -11.448 6.632 2.756 1.00 0.00 C ATOM 144 C LYS A 10 -11.016 5.181 3.006 1.00 0.00 C ATOM 145 O LYS A 10 -10.513 4.867 4.082 1.00 0.00 O ATOM 146 CB LYS A 10 -12.762 7.011 3.483 1.00 0.00 C ATOM 147 CG LYS A 10 -13.867 5.957 3.356 1.00 0.00 C ATOM 148 CD LYS A 10 -15.228 6.290 3.960 1.00 0.00 C ATOM 149 CE LYS A 10 -15.242 6.075 5.472 1.00 0.00 C ATOM 150 NZ LYS A 10 -16.619 5.901 5.975 1.00 0.00 N ATOM 0 H LYS A 10 -12.434 7.019 0.933 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.696 7.287 3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.548 7.173 4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.128 7.957 3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.011 5.746 2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.509 5.037 3.818 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.481 7.326 3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -15.994 5.668 3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.647 5.197 5.722 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -14.776 6.927 5.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.597 5.757 7.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -17.178 6.750 5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -17.053 5.073 5.519 1.00 0.00 H new ATOM 164 N LEU A 11 -11.315 4.268 2.078 1.00 0.00 N ATOM 165 CA LEU A 11 -10.975 2.860 2.158 1.00 0.00 C ATOM 166 C LEU A 11 -9.488 2.650 1.859 1.00 0.00 C ATOM 167 O LEU A 11 -8.774 2.049 2.652 1.00 0.00 O ATOM 168 CB LEU A 11 -11.858 2.007 1.217 1.00 0.00 C ATOM 169 CG LEU A 11 -13.340 1.772 1.576 1.00 0.00 C ATOM 170 CD1 LEU A 11 -13.572 1.346 3.022 1.00 0.00 C ATOM 171 CD2 LEU A 11 -14.249 2.956 1.262 1.00 0.00 C ATOM 0 H LEU A 11 -11.818 4.506 1.223 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.172 2.526 3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.830 2.472 0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.385 1.029 1.122 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.612 0.942 0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.639 1.202 3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.044 0.412 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.199 2.119 3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.274 2.713 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.917 3.829 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.207 3.174 0.195 1.00 0.00 H new ATOM 183 N ARG A 12 -8.979 3.129 0.723 1.00 0.00 N ATOM 184 CA ARG A 12 -7.579 2.959 0.320 1.00 0.00 C ATOM 185 C ARG A 12 -6.622 3.470 1.376 1.00 0.00 C ATOM 186 O ARG A 12 -5.675 2.764 1.728 1.00 0.00 O ATOM 187 CB ARG A 12 -7.299 3.476 -1.109 1.00 0.00 C ATOM 188 CG ARG A 12 -7.985 4.778 -1.549 1.00 0.00 C ATOM 189 CD ARG A 12 -7.051 5.809 -2.186 1.00 0.00 C ATOM 190 NE ARG A 12 -7.739 6.637 -3.198 1.00 0.00 N ATOM 191 CZ ARG A 12 -7.203 7.624 -3.928 1.00 0.00 C ATOM 192 NH1 ARG A 12 -5.945 8.015 -3.750 1.00 0.00 N ATOM 193 NH2 ARG A 12 -7.925 8.216 -4.864 1.00 0.00 N ATOM 0 H ARG A 12 -9.534 3.653 0.047 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.387 1.888 0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.223 3.615 -1.210 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.587 2.693 -1.810 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.774 4.534 -2.260 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.466 5.230 -0.682 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.641 6.454 -1.409 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.209 5.296 -2.651 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.726 6.436 -3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.365 7.561 -3.045 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.560 8.769 -4.319 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.887 7.921 -5.029 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.520 8.968 -5.421 1.00 0.00 H new ATOM 207 N GLN A 13 -6.897 4.643 1.931 1.00 0.00 N ATOM 208 CA GLN A 13 -6.063 5.223 2.973 1.00 0.00 C ATOM 209 C GLN A 13 -6.067 4.336 4.239 1.00 0.00 C ATOM 210 O GLN A 13 -5.082 4.282 4.976 1.00 0.00 O ATOM 211 CB GLN A 13 -6.484 6.678 3.198 1.00 0.00 C ATOM 212 CG GLN A 13 -7.850 6.803 3.874 1.00 0.00 C ATOM 213 CD GLN A 13 -7.783 6.634 5.390 1.00 0.00 C ATOM 214 OE1 GLN A 13 -6.808 6.998 6.043 1.00 0.00 O ATOM 215 NE2 GLN A 13 -8.773 6.002 5.987 1.00 0.00 N ATOM 0 H GLN A 13 -7.700 5.216 1.673 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.018 5.250 2.666 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.734 7.178 3.811 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.510 7.196 2.239 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.277 7.779 3.641 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.524 6.053 3.460 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.584 5.699 5.447 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.729 5.816 6.989 1.00 0.00 H new ATOM 224 N ALA A 14 -7.171 3.629 4.518 1.00 0.00 N ATOM 225 CA ALA A 14 -7.296 2.747 5.673 1.00 0.00 C ATOM 226 C ALA A 14 -6.477 1.470 5.454 1.00 0.00 C ATOM 227 O ALA A 14 -5.901 0.931 6.401 1.00 0.00 O ATOM 228 CB ALA A 14 -8.773 2.412 5.904 1.00 0.00 C ATOM 0 H ALA A 14 -8.009 3.658 3.937 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.908 3.252 6.558 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.866 1.753 6.767 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.330 3.331 6.087 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.175 1.914 5.022 1.00 0.00 H new ATOM 234 N VAL A 15 -6.418 0.967 4.218 1.00 0.00 N ATOM 235 CA VAL A 15 -5.657 -0.231 3.885 1.00 0.00 C ATOM 236 C VAL A 15 -4.171 0.113 3.894 1.00 0.00 C ATOM 237 O VAL A 15 -3.403 -0.529 4.611 1.00 0.00 O ATOM 238 CB VAL A 15 -6.078 -0.794 2.520 1.00 0.00 C ATOM 239 CG1 VAL A 15 -5.323 -2.088 2.171 1.00 0.00 C ATOM 240 CG2 VAL A 15 -7.568 -1.104 2.491 1.00 0.00 C ATOM 0 H VAL A 15 -6.899 1.383 3.421 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.859 -1.003 4.628 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.835 -0.023 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.653 -2.450 1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.252 -1.887 2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.528 -2.845 2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.838 -1.501 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.801 -1.842 3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.133 -0.192 2.681 1.00 0.00 H new ATOM 250 N LEU A 16 -3.748 1.149 3.156 1.00 0.00 N ATOM 251 CA LEU A 16 -2.342 1.545 3.084 1.00 0.00 C ATOM 252 C LEU A 16 -1.743 1.739 4.470 1.00 0.00 C ATOM 253 O LEU A 16 -0.567 1.460 4.648 1.00 0.00 O ATOM 254 CB LEU A 16 -2.070 2.705 2.112 1.00 0.00 C ATOM 255 CG LEU A 16 -2.521 4.094 2.590 1.00 0.00 C ATOM 256 CD1 LEU A 16 -1.487 4.813 3.461 1.00 0.00 C ATOM 257 CD2 LEU A 16 -2.825 4.967 1.367 1.00 0.00 C ATOM 0 H LEU A 16 -4.371 1.731 2.596 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.807 0.708 2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.000 2.741 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.567 2.487 1.167 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.405 3.939 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.877 5.786 3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.282 4.216 4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.566 4.949 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.146 5.955 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.928 5.062 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.618 4.505 0.778 1.00 0.00 H new ATOM 269 N GLN A 17 -2.522 2.179 5.465 1.00 0.00 N ATOM 270 CA GLN A 17 -2.019 2.352 6.821 1.00 0.00 C ATOM 271 C GLN A 17 -1.357 1.062 7.320 1.00 0.00 C ATOM 272 O GLN A 17 -0.279 1.126 7.918 1.00 0.00 O ATOM 273 CB GLN A 17 -3.153 2.807 7.742 1.00 0.00 C ATOM 274 CG GLN A 17 -3.216 4.331 7.766 1.00 0.00 C ATOM 275 CD GLN A 17 -4.356 4.815 8.646 1.00 0.00 C ATOM 276 OE1 GLN A 17 -4.307 4.713 9.872 1.00 0.00 O ATOM 277 NE2 GLN A 17 -5.394 5.356 8.040 1.00 0.00 N ATOM 0 H GLN A 17 -3.506 2.421 5.350 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.253 3.127 6.825 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.102 2.400 7.394 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.992 2.424 8.750 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.272 4.732 8.135 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.349 4.709 6.752 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.410 5.429 7.023 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.181 5.702 8.588 1.00 0.00 H new ATOM 286 N LYS A 18 -1.960 -0.122 7.126 1.00 0.00 N ATOM 287 CA LYS A 18 -1.298 -1.347 7.587 1.00 0.00 C ATOM 288 C LYS A 18 -0.069 -1.617 6.714 1.00 0.00 C ATOM 289 O LYS A 18 0.973 -1.983 7.250 1.00 0.00 O ATOM 290 CB LYS A 18 -2.266 -2.535 7.699 1.00 0.00 C ATOM 291 CG LYS A 18 -2.752 -3.102 6.359 1.00 0.00 C ATOM 292 CD LYS A 18 -4.271 -3.153 6.182 1.00 0.00 C ATOM 293 CE LYS A 18 -4.835 -4.462 6.728 1.00 0.00 C ATOM 294 NZ LYS A 18 -4.973 -4.499 8.193 1.00 0.00 N ATOM 0 H LYS A 18 -2.865 -0.254 6.673 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.947 -1.203 8.609 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.776 -3.332 8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.133 -2.224 8.281 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.329 -2.501 5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.356 -4.111 6.245 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.731 -2.310 6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.522 -3.056 5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.812 -4.638 6.278 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.188 -5.281 6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.362 -5.419 8.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.041 -4.363 8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.615 -3.740 8.501 1.00 0.00 H new ATOM 308 N LYS A 19 -0.132 -1.320 5.408 1.00 0.00 N ATOM 309 CA LYS A 19 0.969 -1.513 4.466 1.00 0.00 C ATOM 310 C LYS A 19 2.222 -0.801 4.938 1.00 0.00 C ATOM 311 O LYS A 19 3.310 -1.326 4.739 1.00 0.00 O ATOM 312 CB LYS A 19 0.603 -1.061 3.042 1.00 0.00 C ATOM 313 CG LYS A 19 -0.444 -2.006 2.430 1.00 0.00 C ATOM 314 CD LYS A 19 -0.621 -1.824 0.919 1.00 0.00 C ATOM 315 CE LYS A 19 -1.639 -2.833 0.354 1.00 0.00 C ATOM 316 NZ LYS A 19 -1.048 -3.736 -0.655 1.00 0.00 N ATOM 0 H LYS A 19 -0.969 -0.931 4.973 1.00 0.00 H new ATOM 0 HA LYS A 19 1.166 -2.584 4.430 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.213 -0.043 3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.497 -1.046 2.418 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.154 -3.037 2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.402 -1.842 2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.956 -0.808 0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.339 -1.953 0.419 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.048 -3.427 1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.472 -2.291 -0.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.530 -4.657 -0.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.161 -3.320 -1.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.036 -3.867 -0.453 1.00 0.00 H new ATOM 330 N ILE A 20 2.100 0.341 5.617 1.00 0.00 N ATOM 331 CA ILE A 20 3.252 1.086 6.120 1.00 0.00 C ATOM 332 C ILE A 20 4.068 0.186 7.045 1.00 0.00 C ATOM 333 O ILE A 20 5.292 0.112 6.945 1.00 0.00 O ATOM 334 CB ILE A 20 2.807 2.363 6.867 1.00 0.00 C ATOM 335 CG1 ILE A 20 1.720 3.157 6.123 1.00 0.00 C ATOM 336 CG2 ILE A 20 4.008 3.269 7.171 1.00 0.00 C ATOM 337 CD1 ILE A 20 1.997 3.405 4.641 1.00 0.00 C ATOM 0 H ILE A 20 1.202 0.773 5.832 1.00 0.00 H new ATOM 0 HA ILE A 20 3.867 1.395 5.275 1.00 0.00 H new ATOM 0 HB ILE A 20 2.364 2.022 7.803 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.775 2.623 6.215 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.592 4.119 6.619 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.667 4.161 7.697 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.722 2.730 7.795 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.489 3.560 6.238 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.173 3.972 4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.923 3.970 4.534 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.093 2.450 4.124 1.00 0.00 H new ATOM 349 N LYS A 21 3.367 -0.490 7.953 1.00 0.00 N ATOM 350 CA LYS A 21 3.920 -1.407 8.933 1.00 0.00 C ATOM 351 C LYS A 21 4.439 -2.667 8.249 1.00 0.00 C ATOM 352 O LYS A 21 5.376 -3.282 8.748 1.00 0.00 O ATOM 353 CB LYS A 21 2.848 -1.799 9.958 1.00 0.00 C ATOM 354 CG LYS A 21 2.030 -0.584 10.451 1.00 0.00 C ATOM 355 CD LYS A 21 1.254 -0.846 11.744 1.00 0.00 C ATOM 356 CE LYS A 21 0.157 -1.891 11.540 1.00 0.00 C ATOM 357 NZ LYS A 21 -0.384 -2.373 12.825 1.00 0.00 N ATOM 0 H LYS A 21 2.353 -0.406 8.024 1.00 0.00 H new ATOM 0 HA LYS A 21 4.744 -0.905 9.441 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.174 -2.530 9.512 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.324 -2.283 10.811 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.705 0.257 10.607 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.329 -0.289 9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.941 -1.186 12.519 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.810 0.085 12.097 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.648 -1.461 10.944 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.557 -2.733 10.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.125 -3.080 12.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.380 -2.806 13.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.788 -1.574 13.353 1.00 0.00 H new ATOM 371 N GLU A 22 3.856 -3.060 7.118 1.00 0.00 N ATOM 372 CA GLU A 22 4.279 -4.250 6.412 1.00 0.00 C ATOM 373 C GLU A 22 5.601 -3.986 5.714 1.00 0.00 C ATOM 374 O GLU A 22 6.548 -4.730 5.947 1.00 0.00 O ATOM 375 CB GLU A 22 3.248 -4.652 5.347 1.00 0.00 C ATOM 376 CG GLU A 22 1.906 -5.095 5.925 1.00 0.00 C ATOM 377 CD GLU A 22 0.842 -5.325 4.845 1.00 0.00 C ATOM 378 OE1 GLU A 22 -0.346 -5.036 5.112 1.00 0.00 O ATOM 379 OE2 GLU A 22 1.160 -5.799 3.730 1.00 0.00 O ATOM 0 H GLU A 22 3.084 -2.562 6.675 1.00 0.00 H new ATOM 0 HA GLU A 22 4.381 -5.054 7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.084 -3.808 4.677 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.659 -5.462 4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.046 -6.015 6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.550 -4.339 6.625 1.00 0.00 H new ATOM 386 N ARG A 23 5.724 -2.899 4.950 1.00 0.00 N ATOM 387 CA ARG A 23 6.961 -2.597 4.236 1.00 0.00 C ATOM 388 C ARG A 23 8.122 -2.367 5.186 1.00 0.00 C ATOM 389 O ARG A 23 9.246 -2.762 4.882 1.00 0.00 O ATOM 390 CB ARG A 23 6.761 -1.452 3.228 1.00 0.00 C ATOM 391 CG ARG A 23 6.230 -0.110 3.762 1.00 0.00 C ATOM 392 CD ARG A 23 7.311 0.850 4.284 1.00 0.00 C ATOM 393 NE ARG A 23 8.343 1.121 3.267 1.00 0.00 N ATOM 394 CZ ARG A 23 9.629 1.438 3.467 1.00 0.00 C ATOM 395 NH1 ARG A 23 10.163 1.462 4.685 1.00 0.00 N ATOM 396 NH2 ARG A 23 10.388 1.766 2.438 1.00 0.00 N ATOM 0 H ARG A 23 4.981 -2.214 4.811 1.00 0.00 H new ATOM 0 HA ARG A 23 7.232 -3.475 3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.718 -1.264 2.741 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.074 -1.801 2.457 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.676 0.388 2.966 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.522 -0.310 4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.847 1.788 4.589 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.779 0.422 5.171 1.00 0.00 H new ATOM 0 HE ARG A 23 8.042 1.060 2.294 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.590 1.235 5.498 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.146 1.707 4.806 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.994 1.777 1.497 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.368 2.008 2.584 1.00 0.00 H new ATOM 410 N ILE A 24 7.879 -1.739 6.337 1.00 0.00 N ATOM 411 CA ILE A 24 8.939 -1.487 7.300 1.00 0.00 C ATOM 412 C ILE A 24 9.342 -2.789 7.998 1.00 0.00 C ATOM 413 O ILE A 24 10.540 -3.060 8.079 1.00 0.00 O ATOM 414 CB ILE A 24 8.536 -0.374 8.299 1.00 0.00 C ATOM 415 CG1 ILE A 24 9.702 0.046 9.220 1.00 0.00 C ATOM 416 CG2 ILE A 24 7.314 -0.770 9.131 1.00 0.00 C ATOM 417 CD1 ILE A 24 9.238 0.929 10.384 1.00 0.00 C ATOM 0 H ILE A 24 6.960 -1.399 6.620 1.00 0.00 H new ATOM 0 HA ILE A 24 9.817 -1.118 6.770 1.00 0.00 H new ATOM 0 HB ILE A 24 8.270 0.491 7.692 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.188 -0.846 9.615 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.448 0.583 8.635 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.065 0.038 9.819 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.468 -0.957 8.469 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.537 -1.673 9.698 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.095 1.197 11.002 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.776 1.835 9.992 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.512 0.384 10.987 1.00 0.00 H new ATOM 429 N GLN A 25 8.376 -3.596 8.460 1.00 0.00 N ATOM 430 CA GLN A 25 8.701 -4.816 9.180 1.00 0.00 C ATOM 431 C GLN A 25 9.185 -5.956 8.286 1.00 0.00 C ATOM 432 O GLN A 25 10.222 -6.557 8.574 1.00 0.00 O ATOM 433 CB GLN A 25 7.451 -5.275 9.956 1.00 0.00 C ATOM 434 CG GLN A 25 7.802 -6.433 10.889 1.00 0.00 C ATOM 435 CD GLN A 25 6.581 -6.921 11.652 1.00 0.00 C ATOM 436 OE1 GLN A 25 5.556 -7.281 11.080 1.00 0.00 O ATOM 437 NE2 GLN A 25 6.644 -6.925 12.970 1.00 0.00 N ATOM 0 H GLN A 25 7.378 -3.421 8.345 1.00 0.00 H new ATOM 0 HA GLN A 25 9.530 -4.579 9.847 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.047 -4.443 10.533 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.674 -5.585 9.257 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.223 -7.255 10.309 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.570 -6.114 11.594 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.498 -6.625 13.441 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.839 -7.228 13.518 1.00 0.00 H new ATOM 446 N ASN A 26 8.474 -6.247 7.196 1.00 0.00 N ATOM 447 CA ASN A 26 8.847 -7.336 6.303 1.00 0.00 C ATOM 448 C ASN A 26 10.110 -6.953 5.552 1.00 0.00 C ATOM 449 O ASN A 26 11.094 -7.692 5.580 1.00 0.00 O ATOM 450 CB ASN A 26 7.728 -7.628 5.274 1.00 0.00 C ATOM 451 CG ASN A 26 6.461 -8.203 5.892 1.00 0.00 C ATOM 452 OD1 ASN A 26 6.251 -9.416 5.906 1.00 0.00 O ATOM 453 ND2 ASN A 26 5.592 -7.361 6.423 1.00 0.00 N ATOM 0 H ASN A 26 7.635 -5.740 6.913 1.00 0.00 H new ATOM 0 HA ASN A 26 9.009 -8.230 6.905 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.479 -6.705 4.750 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.107 -8.326 4.528 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.736 -7.714 6.851 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.777 -6.358 6.405 1.00 0.00 H new ATOM 460 N SER A 27 10.094 -5.770 4.925 1.00 0.00 N ATOM 461 CA SER A 27 11.195 -5.240 4.129 1.00 0.00 C ATOM 462 C SER A 27 11.723 -6.265 3.120 1.00 0.00 C ATOM 463 O SER A 27 12.884 -6.214 2.714 1.00 0.00 O ATOM 464 CB SER A 27 12.282 -4.714 5.072 1.00 0.00 C ATOM 465 OG SER A 27 13.291 -4.015 4.372 1.00 0.00 O ATOM 0 H SER A 27 9.291 -5.142 4.962 1.00 0.00 H new ATOM 0 HA SER A 27 10.834 -4.409 3.523 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.831 -4.055 5.814 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.727 -5.548 5.615 1.00 0.00 H new ATOM 0 HG SER A 27 13.523 -4.505 3.556 1.00 0.00 H new ATOM 834 N ILE A3289 4.429 8.711 7.745 1.00 0.00 N ATOM 835 CA ILE A3289 5.579 9.606 7.761 1.00 0.00 C ATOM 836 C ILE A3289 5.949 9.940 6.306 1.00 0.00 C ATOM 837 O ILE A3289 6.571 9.135 5.609 1.00 0.00 O ATOM 838 CB ILE A3289 6.768 8.994 8.543 1.00 0.00 C ATOM 839 CG1 ILE A3289 6.364 8.361 9.896 1.00 0.00 C ATOM 840 CG2 ILE A3289 7.817 10.096 8.776 1.00 0.00 C ATOM 841 CD1 ILE A3289 7.475 7.499 10.507 1.00 0.00 C ATOM 0 HA ILE A3289 5.325 10.526 8.287 1.00 0.00 H new ATOM 0 HB ILE A3289 7.170 8.180 7.939 1.00 0.00 H new ATOM 0 HG12 ILE A3289 6.098 9.153 10.597 1.00 0.00 H new ATOM 0 HG13 ILE A3289 5.473 7.749 9.754 1.00 0.00 H new ATOM 0 HG21 ILE A3289 8.663 9.683 9.326 1.00 0.00 H new ATOM 0 HG22 ILE A3289 8.161 10.480 7.816 1.00 0.00 H new ATOM 0 HG23 ILE A3289 7.371 10.907 9.352 1.00 0.00 H new ATOM 0 HD11 ILE A3289 7.133 7.082 11.454 1.00 0.00 H new ATOM 0 HD12 ILE A3289 7.724 6.688 9.823 1.00 0.00 H new ATOM 0 HD13 ILE A3289 8.359 8.113 10.679 1.00 0.00 H new ATOM 853 N GLU A3290 5.585 11.134 5.845 1.00 0.00 N ATOM 854 CA GLU A3290 5.840 11.618 4.482 1.00 0.00 C ATOM 855 C GLU A3290 7.323 11.813 4.138 1.00 0.00 C ATOM 856 O GLU A3290 7.663 11.991 2.974 1.00 0.00 O ATOM 857 CB GLU A3290 5.110 12.956 4.315 1.00 0.00 C ATOM 858 CG GLU A3290 4.813 13.345 2.870 1.00 0.00 C ATOM 859 CD GLU A3290 3.691 14.388 2.834 1.00 0.00 C ATOM 860 OE1 GLU A3290 2.496 14.009 2.909 1.00 0.00 O ATOM 861 OE2 GLU A3290 3.967 15.602 2.894 1.00 0.00 O ATOM 0 H GLU A3290 5.090 11.814 6.422 1.00 0.00 H new ATOM 0 HA GLU A3290 5.477 10.849 3.800 1.00 0.00 H new ATOM 0 HB2 GLU A3290 4.170 12.913 4.866 1.00 0.00 H new ATOM 0 HB3 GLU A3290 5.711 13.742 4.772 1.00 0.00 H new ATOM 0 HG2 GLU A3290 5.711 13.747 2.400 1.00 0.00 H new ATOM 0 HG3 GLU A3290 4.521 12.464 2.299 1.00 0.00 H new ATOM 868 N THR A3291 8.217 11.732 5.120 1.00 0.00 N ATOM 869 CA THR A3291 9.652 11.930 4.944 1.00 0.00 C ATOM 870 C THR A3291 10.473 10.752 5.490 1.00 0.00 C ATOM 871 O THR A3291 11.501 10.943 6.142 1.00 0.00 O ATOM 872 CB THR A3291 9.965 13.335 5.507 1.00 0.00 C ATOM 873 OG1 THR A3291 11.199 13.832 5.030 1.00 0.00 O ATOM 874 CG2 THR A3291 9.883 13.448 7.037 1.00 0.00 C ATOM 0 H THR A3291 7.957 11.522 6.084 1.00 0.00 H new ATOM 0 HA THR A3291 9.959 11.922 3.898 1.00 0.00 H new ATOM 0 HB THR A3291 9.162 13.965 5.124 1.00 0.00 H new ATOM 0 HG1 THR A3291 11.361 14.722 5.407 1.00 0.00 H new ATOM 0 HG21 THR A3291 10.118 14.468 7.340 1.00 0.00 H new ATOM 0 HG22 THR A3291 8.876 13.195 7.367 1.00 0.00 H new ATOM 0 HG23 THR A3291 10.597 12.761 7.491 1.00 0.00 H new ATOM 882 N PHE A3292 10.016 9.514 5.269 1.00 0.00 N ATOM 883 CA PHE A3292 10.732 8.334 5.761 1.00 0.00 C ATOM 884 C PHE A3292 10.658 7.157 4.798 1.00 0.00 C ATOM 885 O PHE A3292 11.658 6.460 4.624 1.00 0.00 O ATOM 886 CB PHE A3292 10.178 7.951 7.139 1.00 0.00 C ATOM 887 CG PHE A3292 11.007 6.932 7.903 1.00 0.00 C ATOM 888 CD1 PHE A3292 11.790 7.337 9.000 1.00 0.00 C ATOM 889 CD2 PHE A3292 11.019 5.578 7.515 1.00 0.00 C ATOM 890 CE1 PHE A3292 12.590 6.404 9.683 1.00 0.00 C ATOM 891 CE2 PHE A3292 11.818 4.646 8.194 1.00 0.00 C ATOM 892 CZ PHE A3292 12.610 5.059 9.276 1.00 0.00 C ATOM 0 H PHE A3292 9.159 9.305 4.756 1.00 0.00 H new ATOM 0 HA PHE A3292 11.788 8.590 5.843 1.00 0.00 H new ATOM 0 HB2 PHE A3292 10.092 8.854 7.743 1.00 0.00 H new ATOM 0 HB3 PHE A3292 9.170 7.556 7.012 1.00 0.00 H new ATOM 0 HD1 PHE A3292 11.776 8.369 9.319 1.00 0.00 H new ATOM 0 HD2 PHE A3292 10.407 5.254 6.686 1.00 0.00 H new ATOM 0 HE1 PHE A3292 13.191 6.722 10.522 1.00 0.00 H new ATOM 0 HE2 PHE A3292 11.823 3.611 7.884 1.00 0.00 H new ATOM 0 HZ PHE A3292 13.233 4.345 9.795 1.00 0.00 H new ATOM 902 N PHE A3293 9.485 6.912 4.214 1.00 0.00 N ATOM 903 CA PHE A3293 9.227 5.826 3.266 1.00 0.00 C ATOM 904 C PHE A3293 8.269 6.255 2.156 1.00 0.00 C ATOM 905 O PHE A3293 7.768 5.395 1.433 1.00 0.00 O ATOM 906 CB PHE A3293 8.696 4.580 4.007 1.00 0.00 C ATOM 907 CG PHE A3293 7.792 4.836 5.201 1.00 0.00 C ATOM 908 CD1 PHE A3293 8.063 4.215 6.436 1.00 0.00 C ATOM 909 CD2 PHE A3293 6.729 5.751 5.107 1.00 0.00 C ATOM 910 CE1 PHE A3293 7.335 4.573 7.582 1.00 0.00 C ATOM 911 CE2 PHE A3293 6.010 6.110 6.253 1.00 0.00 C ATOM 912 CZ PHE A3293 6.321 5.541 7.499 1.00 0.00 C ATOM 0 H PHE A3293 8.659 7.483 4.394 1.00 0.00 H new ATOM 0 HA PHE A3293 10.173 5.570 2.789 1.00 0.00 H new ATOM 0 HB2 PHE A3293 8.151 3.964 3.292 1.00 0.00 H new ATOM 0 HB3 PHE A3293 9.551 3.994 4.345 1.00 0.00 H new ATOM 0 HD1 PHE A3293 8.833 3.461 6.502 1.00 0.00 H new ATOM 0 HD2 PHE A3293 6.467 6.177 4.150 1.00 0.00 H new ATOM 0 HE1 PHE A3293 7.555 4.103 8.529 1.00 0.00 H new ATOM 0 HE2 PHE A3293 5.209 6.831 6.179 1.00 0.00 H new ATOM 0 HZ PHE A3293 5.785 5.845 8.386 1.00 0.00 H new ATOM 922 N ALA A3294 7.948 7.548 2.040 1.00 0.00 N ATOM 923 CA ALA A3294 7.038 8.074 1.029 1.00 0.00 C ATOM 924 C ALA A3294 7.394 7.609 -0.381 1.00 0.00 C ATOM 925 O ALA A3294 6.496 7.387 -1.187 1.00 0.00 O ATOM 926 CB ALA A3294 6.992 9.590 1.117 1.00 0.00 C ATOM 0 H ALA A3294 8.322 8.267 2.659 1.00 0.00 H new ATOM 0 HA ALA A3294 6.045 7.675 1.236 1.00 0.00 H new ATOM 0 HB1 ALA A3294 6.311 9.978 0.360 1.00 0.00 H new ATOM 0 HB2 ALA A3294 6.642 9.887 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A3294 7.990 9.995 0.949 1.00 0.00 H new ATOM 932 N GLN A3295 8.691 7.425 -0.646 1.00 0.00 N ATOM 933 CA GLN A3295 9.175 6.981 -1.949 1.00 0.00 C ATOM 934 C GLN A3295 8.587 5.619 -2.308 1.00 0.00 C ATOM 935 O GLN A3295 8.213 5.373 -3.449 1.00 0.00 O ATOM 936 CB GLN A3295 10.703 6.903 -1.910 1.00 0.00 C ATOM 937 CG GLN A3295 11.351 8.272 -1.735 1.00 0.00 C ATOM 938 CD GLN A3295 11.093 9.190 -2.925 1.00 0.00 C ATOM 939 OE1 GLN A3295 11.776 9.096 -3.940 1.00 0.00 O ATOM 940 NE2 GLN A3295 10.155 10.115 -2.816 1.00 0.00 N ATOM 0 H GLN A3295 9.431 7.580 0.038 1.00 0.00 H new ATOM 0 HA GLN A3295 8.861 7.694 -2.711 1.00 0.00 H new ATOM 0 HB2 GLN A3295 11.010 6.252 -1.092 1.00 0.00 H new ATOM 0 HB3 GLN A3295 11.064 6.448 -2.832 1.00 0.00 H new ATOM 0 HG2 GLN A3295 10.968 8.740 -0.828 1.00 0.00 H new ATOM 0 HG3 GLN A3295 12.426 8.148 -1.600 1.00 0.00 H new ATOM 0 HE21 GLN A3295 9.597 10.178 -1.964 1.00 0.00 H new ATOM 0 HE22 GLN A3295 9.989 10.766 -3.584 1.00 0.00 H new ATOM 949 N ASP A3296 8.595 4.690 -1.355 1.00 0.00 N ATOM 950 CA ASP A3296 8.032 3.360 -1.565 1.00 0.00 C ATOM 951 C ASP A3296 6.521 3.362 -1.415 1.00 0.00 C ATOM 952 O ASP A3296 5.817 2.593 -2.073 1.00 0.00 O ATOM 953 CB ASP A3296 8.629 2.352 -0.577 1.00 0.00 C ATOM 954 CG ASP A3296 9.821 1.583 -1.128 1.00 0.00 C ATOM 955 OD1 ASP A3296 9.949 1.393 -2.363 1.00 0.00 O ATOM 956 OD2 ASP A3296 10.623 1.102 -0.296 1.00 0.00 O ATOM 0 H ASP A3296 8.988 4.836 -0.425 1.00 0.00 H new ATOM 0 HA ASP A3296 8.284 3.067 -2.584 1.00 0.00 H new ATOM 0 HB2 ASP A3296 8.935 2.880 0.326 1.00 0.00 H new ATOM 0 HB3 ASP A3296 7.855 1.643 -0.284 1.00 0.00 H new ATOM 961 N ILE A3297 6.019 4.199 -0.512 1.00 0.00 N ATOM 962 CA ILE A3297 4.607 4.326 -0.220 1.00 0.00 C ATOM 963 C ILE A3297 3.830 4.722 -1.460 1.00 0.00 C ATOM 964 O ILE A3297 2.781 4.134 -1.699 1.00 0.00 O ATOM 965 CB ILE A3297 4.410 5.285 0.974 1.00 0.00 C ATOM 966 CG1 ILE A3297 4.010 4.493 2.224 1.00 0.00 C ATOM 967 CG2 ILE A3297 3.411 6.425 0.719 1.00 0.00 C ATOM 968 CD1 ILE A3297 5.081 3.495 2.684 1.00 0.00 C ATOM 0 H ILE A3297 6.603 4.820 0.047 1.00 0.00 H new ATOM 0 HA ILE A3297 4.199 3.360 0.079 1.00 0.00 H new ATOM 0 HB ILE A3297 5.373 5.772 1.126 1.00 0.00 H new ATOM 0 HG12 ILE A3297 3.802 5.190 3.035 1.00 0.00 H new ATOM 0 HG13 ILE A3297 3.085 3.954 2.022 1.00 0.00 H new ATOM 0 HG21 ILE A3297 3.335 7.048 1.610 1.00 0.00 H new ATOM 0 HG22 ILE A3297 3.756 7.030 -0.119 1.00 0.00 H new ATOM 0 HG23 ILE A3297 2.432 6.006 0.485 1.00 0.00 H new ATOM 0 HD11 ILE A3297 4.731 2.970 3.573 1.00 0.00 H new ATOM 0 HD12 ILE A3297 5.273 2.775 1.889 1.00 0.00 H new ATOM 0 HD13 ILE A3297 6.001 4.031 2.918 1.00 0.00 H new ATOM 980 N GLU A3298 4.328 5.684 -2.237 1.00 0.00 N ATOM 981 CA GLU A3298 3.645 6.142 -3.433 1.00 0.00 C ATOM 982 C GLU A3298 3.481 4.981 -4.411 1.00 0.00 C ATOM 983 O GLU A3298 2.452 4.862 -5.057 1.00 0.00 O ATOM 984 CB GLU A3298 4.381 7.349 -4.043 1.00 0.00 C ATOM 985 CG GLU A3298 5.761 7.006 -4.630 1.00 0.00 C ATOM 986 CD GLU A3298 5.771 6.906 -6.157 1.00 0.00 C ATOM 987 OE1 GLU A3298 5.427 7.896 -6.848 1.00 0.00 O ATOM 988 OE2 GLU A3298 6.192 5.857 -6.697 1.00 0.00 O ATOM 0 H GLU A3298 5.210 6.161 -2.052 1.00 0.00 H new ATOM 0 HA GLU A3298 2.643 6.490 -3.180 1.00 0.00 H new ATOM 0 HB2 GLU A3298 3.761 7.782 -4.828 1.00 0.00 H new ATOM 0 HB3 GLU A3298 4.503 8.113 -3.276 1.00 0.00 H new ATOM 0 HG2 GLU A3298 6.478 7.767 -4.320 1.00 0.00 H new ATOM 0 HG3 GLU A3298 6.100 6.059 -4.210 1.00 0.00 H new ATOM 995 N SER A3299 4.471 4.099 -4.473 1.00 0.00 N ATOM 996 CA SER A3299 4.493 2.955 -5.370 1.00 0.00 C ATOM 997 C SER A3299 3.428 1.944 -5.005 1.00 0.00 C ATOM 998 O SER A3299 2.706 1.474 -5.886 1.00 0.00 O ATOM 999 CB SER A3299 5.898 2.333 -5.358 1.00 0.00 C ATOM 1000 OG SER A3299 6.142 1.524 -6.492 1.00 0.00 O ATOM 0 H SER A3299 5.302 4.163 -3.884 1.00 0.00 H new ATOM 0 HA SER A3299 4.265 3.289 -6.382 1.00 0.00 H new ATOM 0 HB2 SER A3299 6.643 3.127 -5.315 1.00 0.00 H new ATOM 0 HB3 SER A3299 6.019 1.734 -4.455 1.00 0.00 H new ATOM 0 HG SER A3299 7.047 1.153 -6.440 1.00 0.00 H new ATOM 1006 N VAL A3300 3.320 1.594 -3.725 1.00 0.00 N ATOM 1007 CA VAL A3300 2.315 0.626 -3.336 1.00 0.00 C ATOM 1008 C VAL A3300 0.944 1.301 -3.322 1.00 0.00 C ATOM 1009 O VAL A3300 0.004 0.739 -3.866 1.00 0.00 O ATOM 1010 CB VAL A3300 2.724 -0.108 -2.045 1.00 0.00 C ATOM 1011 CG1 VAL A3300 2.817 0.791 -0.804 1.00 0.00 C ATOM 1012 CG2 VAL A3300 1.797 -1.299 -1.788 1.00 0.00 C ATOM 0 H VAL A3300 3.898 1.956 -2.967 1.00 0.00 H new ATOM 0 HA VAL A3300 2.236 -0.177 -4.069 1.00 0.00 H new ATOM 0 HB VAL A3300 3.740 -0.464 -2.218 1.00 0.00 H new ATOM 0 HG11 VAL A3300 3.110 0.192 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A3300 3.560 1.570 -0.974 1.00 0.00 H new ATOM 0 HG13 VAL A3300 1.847 1.250 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A3300 2.101 -1.806 -0.872 1.00 0.00 H new ATOM 0 HG22 VAL A3300 0.771 -0.946 -1.684 1.00 0.00 H new ATOM 0 HG23 VAL A3300 1.858 -1.995 -2.625 1.00 0.00 H new ATOM 1022 N GLN A3301 0.796 2.507 -2.751 1.00 0.00 N ATOM 1023 CA GLN A3301 -0.481 3.218 -2.670 1.00 0.00 C ATOM 1024 C GLN A3301 -1.090 3.455 -4.046 1.00 0.00 C ATOM 1025 O GLN A3301 -2.313 3.530 -4.154 1.00 0.00 O ATOM 1026 CB GLN A3301 -0.438 4.470 -1.781 1.00 0.00 C ATOM 1027 CG GLN A3301 0.219 5.692 -2.424 1.00 0.00 C ATOM 1028 CD GLN A3301 -0.743 6.771 -2.923 1.00 0.00 C ATOM 1029 OE1 GLN A3301 -0.481 7.958 -2.757 1.00 0.00 O ATOM 1030 NE2 GLN A3301 -1.834 6.401 -3.575 1.00 0.00 N ATOM 0 H GLN A3301 1.571 3.018 -2.329 1.00 0.00 H new ATOM 0 HA GLN A3301 -1.168 2.552 -2.148 1.00 0.00 H new ATOM 0 HB2 GLN A3301 -1.457 4.731 -1.496 1.00 0.00 H new ATOM 0 HB3 GLN A3301 0.098 4.228 -0.863 1.00 0.00 H new ATOM 0 HG2 GLN A3301 0.897 6.142 -1.699 1.00 0.00 H new ATOM 0 HG3 GLN A3301 0.827 5.356 -3.264 1.00 0.00 H new ATOM 0 HE21 GLN A3301 -2.039 5.410 -3.705 1.00 0.00 H new ATOM 0 HE22 GLN A3301 -2.470 7.107 -3.947 1.00 0.00 H new ATOM 1039 N LYS A3302 -0.258 3.606 -5.080 1.00 0.00 N ATOM 1040 CA LYS A3302 -0.679 3.796 -6.464 1.00 0.00 C ATOM 1041 C LYS A3302 -1.595 2.649 -6.899 1.00 0.00 C ATOM 1042 O LYS A3302 -2.394 2.827 -7.819 1.00 0.00 O ATOM 1043 CB LYS A3302 0.558 3.926 -7.362 1.00 0.00 C ATOM 1044 CG LYS A3302 0.935 5.407 -7.539 1.00 0.00 C ATOM 1045 CD LYS A3302 2.375 5.576 -8.040 1.00 0.00 C ATOM 1046 CE LYS A3302 2.466 5.313 -9.540 1.00 0.00 C ATOM 1047 NZ LYS A3302 2.291 6.554 -10.321 1.00 0.00 N ATOM 0 H LYS A3302 0.756 3.599 -4.970 1.00 0.00 H new ATOM 0 HA LYS A3302 -1.255 4.717 -6.556 1.00 0.00 H new ATOM 0 HB2 LYS A3302 1.394 3.381 -6.923 1.00 0.00 H new ATOM 0 HB3 LYS A3302 0.359 3.475 -8.334 1.00 0.00 H new ATOM 0 HG2 LYS A3302 0.248 5.874 -8.245 1.00 0.00 H new ATOM 0 HG3 LYS A3302 0.818 5.927 -6.588 1.00 0.00 H new ATOM 0 HD2 LYS A3302 2.723 6.586 -7.822 1.00 0.00 H new ATOM 0 HD3 LYS A3302 3.033 4.890 -7.506 1.00 0.00 H new ATOM 0 HE2 LYS A3302 3.433 4.869 -9.774 1.00 0.00 H new ATOM 0 HE3 LYS A3302 1.704 4.589 -9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A3302 2.359 6.338 -11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A3302 1.358 6.965 -10.116 1.00 0.00 H new ATOM 0 HZ3 LYS A3302 3.033 7.235 -10.062 1.00 0.00 H new ATOM 1061 N GLU A3303 -1.449 1.466 -6.297 1.00 0.00 N ATOM 1062 CA GLU A3303 -2.304 0.330 -6.640 1.00 0.00 C ATOM 1063 C GLU A3303 -3.677 0.506 -5.969 1.00 0.00 C ATOM 1064 O GLU A3303 -4.728 0.295 -6.567 1.00 0.00 O ATOM 1065 CB GLU A3303 -1.606 -1.015 -6.321 1.00 0.00 C ATOM 1066 CG GLU A3303 -1.982 -1.640 -4.968 1.00 0.00 C ATOM 1067 CD GLU A3303 -1.168 -2.877 -4.576 1.00 0.00 C ATOM 1068 OE1 GLU A3303 -0.776 -3.661 -5.472 1.00 0.00 O ATOM 1069 OE2 GLU A3303 -0.957 -3.134 -3.364 1.00 0.00 O ATOM 0 H GLU A3303 -0.753 1.272 -5.577 1.00 0.00 H new ATOM 0 HA GLU A3303 -2.479 0.302 -7.715 1.00 0.00 H new ATOM 0 HB2 GLU A3303 -1.845 -1.727 -7.111 1.00 0.00 H new ATOM 0 HB3 GLU A3303 -0.527 -0.861 -6.345 1.00 0.00 H new ATOM 0 HG2 GLU A3303 -1.864 -0.885 -4.191 1.00 0.00 H new ATOM 0 HG3 GLU A3303 -3.038 -1.911 -4.991 1.00 0.00 H new ATOM 1076 N LEU A3304 -3.678 0.967 -4.718 1.00 0.00 N ATOM 1077 CA LEU A3304 -4.871 1.154 -3.916 1.00 0.00 C ATOM 1078 C LEU A3304 -5.789 2.259 -4.408 1.00 0.00 C ATOM 1079 O LEU A3304 -7.002 2.153 -4.271 1.00 0.00 O ATOM 1080 CB LEU A3304 -4.484 1.417 -2.465 1.00 0.00 C ATOM 1081 CG LEU A3304 -3.841 0.186 -1.804 1.00 0.00 C ATOM 1082 CD1 LEU A3304 -2.319 0.242 -1.775 1.00 0.00 C ATOM 1083 CD2 LEU A3304 -4.265 0.152 -0.357 1.00 0.00 C ATOM 0 H LEU A3304 -2.822 1.226 -4.228 1.00 0.00 H new ATOM 0 HA LEU A3304 -5.438 0.228 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A3304 -3.789 2.255 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU A3304 -5.370 1.709 -1.901 1.00 0.00 H new ATOM 0 HG LEU A3304 -4.159 -0.679 -2.386 1.00 0.00 H new ATOM 0 HD11 LEU A3304 -1.931 -0.657 -1.296 1.00 0.00 H new ATOM 0 HD12 LEU A3304 -1.938 0.303 -2.794 1.00 0.00 H new ATOM 0 HD13 LEU A3304 -1.998 1.120 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A3304 -3.820 -0.714 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A3304 -3.931 1.062 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A3304 -5.351 0.084 -0.298 1.00 0.00 H new ATOM 1095 N GLU A3305 -5.233 3.332 -4.955 1.00 0.00 N ATOM 1096 CA GLU A3305 -6.027 4.451 -5.463 1.00 0.00 C ATOM 1097 C GLU A3305 -6.921 4.075 -6.648 1.00 0.00 C ATOM 1098 O GLU A3305 -7.809 4.853 -6.989 1.00 0.00 O ATOM 1099 CB GLU A3305 -5.131 5.657 -5.761 1.00 0.00 C ATOM 1100 CG GLU A3305 -4.024 5.317 -6.748 1.00 0.00 C ATOM 1101 CD GLU A3305 -3.103 6.518 -7.033 1.00 0.00 C ATOM 1102 OE1 GLU A3305 -2.801 6.837 -8.208 1.00 0.00 O ATOM 1103 OE2 GLU A3305 -2.581 7.120 -6.069 1.00 0.00 O ATOM 0 H GLU A3305 -4.226 3.454 -5.060 1.00 0.00 H new ATOM 0 HA GLU A3305 -6.720 4.735 -4.671 1.00 0.00 H new ATOM 0 HB2 GLU A3305 -5.738 6.468 -6.163 1.00 0.00 H new ATOM 0 HB3 GLU A3305 -4.690 6.019 -4.832 1.00 0.00 H new ATOM 0 HG2 GLU A3305 -3.430 4.492 -6.354 1.00 0.00 H new ATOM 0 HG3 GLU A3305 -4.467 4.972 -7.682 1.00 0.00 H new ATOM 1110 N ASN A3306 -6.684 2.922 -7.282 1.00 0.00 N ATOM 1111 CA ASN A3306 -7.483 2.433 -8.402 1.00 0.00 C ATOM 1112 C ASN A3306 -8.236 1.157 -8.024 1.00 0.00 C ATOM 1113 O ASN A3306 -8.935 0.597 -8.873 1.00 0.00 O ATOM 1114 CB ASN A3306 -6.641 2.253 -9.672 1.00 0.00 C ATOM 1115 CG ASN A3306 -5.757 1.020 -9.676 1.00 0.00 C ATOM 1116 OD1 ASN A3306 -6.185 -0.084 -10.007 1.00 0.00 O ATOM 1117 ND2 ASN A3306 -4.483 1.187 -9.379 1.00 0.00 N ATOM 0 H ASN A3306 -5.920 2.296 -7.025 1.00 0.00 H new ATOM 0 HA ASN A3306 -8.228 3.195 -8.632 1.00 0.00 H new ATOM 0 HB2 ASN A3306 -7.310 2.207 -10.532 1.00 0.00 H new ATOM 0 HB3 ASN A3306 -6.013 3.134 -9.803 1.00 0.00 H new ATOM 0 HD21 ASN A3306 -3.841 0.395 -9.423 1.00 0.00 H new ATOM 0 HD22 ASN A3306 -4.139 2.108 -9.106 1.00 0.00 H new ATOM 1124 N LEU A3307 -8.064 0.659 -6.795 1.00 0.00 N ATOM 1125 CA LEU A3307 -8.744 -0.554 -6.337 1.00 0.00 C ATOM 1126 C LEU A3307 -10.177 -0.217 -5.911 1.00 0.00 C ATOM 1127 O LEU A3307 -10.445 0.900 -5.479 1.00 0.00 O ATOM 1128 CB LEU A3307 -7.956 -1.183 -5.172 1.00 0.00 C ATOM 1129 CG LEU A3307 -7.320 -2.579 -5.329 1.00 0.00 C ATOM 1130 CD1 LEU A3307 -7.573 -3.283 -6.657 1.00 0.00 C ATOM 1131 CD2 LEU A3307 -5.817 -2.591 -5.061 1.00 0.00 C ATOM 0 H LEU A3307 -7.454 1.083 -6.096 1.00 0.00 H new ATOM 0 HA LEU A3307 -8.790 -1.277 -7.152 1.00 0.00 H new ATOM 0 HB2 LEU A3307 -7.155 -0.491 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU A3307 -8.628 -1.229 -4.315 1.00 0.00 H new ATOM 0 HG LEU A3307 -7.846 -3.143 -4.559 1.00 0.00 H new ATOM 0 HD11 LEU A3307 -7.079 -4.254 -6.654 1.00 0.00 H new ATOM 0 HD12 LEU A3307 -8.645 -3.422 -6.797 1.00 0.00 H new ATOM 0 HD13 LEU A3307 -7.176 -2.677 -7.471 1.00 0.00 H new ATOM 0 HD21 LEU A3307 -5.433 -3.603 -5.189 1.00 0.00 H new ATOM 0 HD22 LEU A3307 -5.317 -1.922 -5.762 1.00 0.00 H new ATOM 0 HD23 LEU A3307 -5.627 -2.257 -4.041 1.00 0.00 H new ATOM 1143 N SER A3308 -11.089 -1.185 -6.006 1.00 0.00 N ATOM 1144 CA SER A3308 -12.500 -1.034 -5.647 1.00 0.00 C ATOM 1145 C SER A3308 -12.714 -1.193 -4.139 1.00 0.00 C ATOM 1146 O SER A3308 -11.830 -1.698 -3.447 1.00 0.00 O ATOM 1147 CB SER A3308 -13.302 -2.115 -6.382 1.00 0.00 C ATOM 1148 OG SER A3308 -12.926 -2.202 -7.742 1.00 0.00 O ATOM 0 H SER A3308 -10.861 -2.120 -6.344 1.00 0.00 H new ATOM 0 HA SER A3308 -12.830 -0.035 -5.932 1.00 0.00 H new ATOM 0 HB2 SER A3308 -13.145 -3.079 -5.897 1.00 0.00 H new ATOM 0 HB3 SER A3308 -14.367 -1.892 -6.311 1.00 0.00 H new ATOM 0 HG SER A3308 -13.453 -2.901 -8.183 1.00 0.00 H new ATOM 1154 N GLU A3309 -13.890 -0.832 -3.607 1.00 0.00 N ATOM 1155 CA GLU A3309 -14.164 -0.981 -2.185 1.00 0.00 C ATOM 1156 C GLU A3309 -13.999 -2.437 -1.822 1.00 0.00 C ATOM 1157 O GLU A3309 -13.213 -2.723 -0.955 1.00 0.00 O ATOM 1158 CB GLU A3309 -15.593 -0.565 -1.781 1.00 0.00 C ATOM 1159 CG GLU A3309 -15.686 0.896 -1.343 1.00 0.00 C ATOM 1160 CD GLU A3309 -16.877 1.223 -0.433 1.00 0.00 C ATOM 1161 OE1 GLU A3309 -17.250 0.408 0.441 1.00 0.00 O ATOM 1162 OE2 GLU A3309 -17.423 2.347 -0.554 1.00 0.00 O ATOM 0 H GLU A3309 -14.661 -0.436 -4.145 1.00 0.00 H new ATOM 0 HA GLU A3309 -13.468 -0.326 -1.660 1.00 0.00 H new ATOM 0 HB2 GLU A3309 -16.266 -0.730 -2.623 1.00 0.00 H new ATOM 0 HB3 GLU A3309 -15.936 -1.205 -0.968 1.00 0.00 H new ATOM 0 HG2 GLU A3309 -14.766 1.164 -0.823 1.00 0.00 H new ATOM 0 HG3 GLU A3309 -15.744 1.524 -2.232 1.00 0.00 H new ATOM 1169 N GLU A3310 -14.615 -3.373 -2.527 1.00 0.00 N ATOM 1170 CA GLU A3310 -14.533 -4.796 -2.215 1.00 0.00 C ATOM 1171 C GLU A3310 -13.091 -5.292 -2.076 1.00 0.00 C ATOM 1172 O GLU A3310 -12.876 -6.367 -1.527 1.00 0.00 O ATOM 1173 CB GLU A3310 -15.305 -5.583 -3.278 1.00 0.00 C ATOM 1174 CG GLU A3310 -14.768 -5.292 -4.681 1.00 0.00 C ATOM 1175 CD GLU A3310 -15.621 -5.947 -5.758 1.00 0.00 C ATOM 1176 OE1 GLU A3310 -16.783 -5.515 -5.935 1.00 0.00 O ATOM 1177 OE2 GLU A3310 -15.154 -6.886 -6.440 1.00 0.00 O ATOM 0 H GLU A3310 -15.193 -3.166 -3.342 1.00 0.00 H new ATOM 0 HA GLU A3310 -14.989 -4.960 -1.239 1.00 0.00 H new ATOM 0 HB2 GLU A3310 -15.229 -6.650 -3.071 1.00 0.00 H new ATOM 0 HB3 GLU A3310 -16.363 -5.324 -3.230 1.00 0.00 H new ATOM 0 HG2 GLU A3310 -14.741 -4.215 -4.844 1.00 0.00 H new ATOM 0 HG3 GLU A3310 -13.742 -5.652 -4.760 1.00 0.00 H new ATOM 1184 N GLU A3311 -12.137 -4.657 -2.754 1.00 0.00 N ATOM 1185 CA GLU A3311 -10.745 -5.019 -2.676 1.00 0.00 C ATOM 1186 C GLU A3311 -10.128 -4.426 -1.406 1.00 0.00 C ATOM 1187 O GLU A3311 -9.451 -5.127 -0.657 1.00 0.00 O ATOM 1188 CB GLU A3311 -10.040 -4.454 -3.911 1.00 0.00 C ATOM 1189 CG GLU A3311 -10.533 -5.017 -5.251 1.00 0.00 C ATOM 1190 CD GLU A3311 -9.629 -6.153 -5.739 1.00 0.00 C ATOM 1191 OE1 GLU A3311 -9.456 -7.147 -4.995 1.00 0.00 O ATOM 1192 OE2 GLU A3311 -9.054 -6.054 -6.849 1.00 0.00 O ATOM 0 H GLU A3311 -12.323 -3.870 -3.376 1.00 0.00 H new ATOM 0 HA GLU A3311 -10.634 -6.103 -2.642 1.00 0.00 H new ATOM 0 HB2 GLU A3311 -10.166 -3.371 -3.920 1.00 0.00 H new ATOM 0 HB3 GLU A3311 -8.971 -4.650 -3.823 1.00 0.00 H new ATOM 0 HG2 GLU A3311 -11.554 -5.382 -5.142 1.00 0.00 H new ATOM 0 HG3 GLU A3311 -10.557 -4.222 -5.996 1.00 0.00 H new ATOM 1199 N LEU A3312 -10.305 -3.119 -1.181 1.00 0.00 N ATOM 1200 CA LEU A3312 -9.766 -2.358 -0.048 1.00 0.00 C ATOM 1201 C LEU A3312 -10.515 -2.568 1.266 1.00 0.00 C ATOM 1202 O LEU A3312 -9.926 -2.897 2.295 1.00 0.00 O ATOM 1203 CB LEU A3312 -9.781 -0.846 -0.343 1.00 0.00 C ATOM 1204 CG LEU A3312 -9.329 -0.428 -1.752 1.00 0.00 C ATOM 1205 CD1 LEU A3312 -10.087 0.830 -2.159 1.00 0.00 C ATOM 1206 CD2 LEU A3312 -7.811 -0.275 -1.837 1.00 0.00 C ATOM 0 H LEU A3312 -10.853 -2.536 -1.813 1.00 0.00 H new ATOM 0 HA LEU A3312 -8.752 -2.738 0.073 1.00 0.00 H new ATOM 0 HB2 LEU A3312 -10.793 -0.475 -0.183 1.00 0.00 H new ATOM 0 HB3 LEU A3312 -9.140 -0.348 0.385 1.00 0.00 H new ATOM 0 HG LEU A3312 -9.572 -1.215 -2.466 1.00 0.00 H new ATOM 0 HD11 LEU A3312 -9.774 1.136 -3.157 1.00 0.00 H new ATOM 0 HD12 LEU A3312 -11.158 0.625 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A3312 -9.872 1.630 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU A3312 -7.531 0.021 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A3312 -7.482 0.488 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A3312 -7.335 -1.225 -1.592 1.00 0.00 H new ATOM 1218 N LEU A3313 -11.828 -2.360 1.220 1.00 0.00 N ATOM 1219 CA LEU A3313 -12.798 -2.485 2.290 1.00 0.00 C ATOM 1220 C LEU A3313 -12.644 -3.875 2.861 1.00 0.00 C ATOM 1221 O LEU A3313 -12.637 -4.031 4.077 1.00 0.00 O ATOM 1222 CB LEU A3313 -14.233 -2.222 1.747 1.00 0.00 C ATOM 1223 CG LEU A3313 -15.426 -2.410 2.720 1.00 0.00 C ATOM 1224 CD1 LEU A3313 -15.879 -3.872 2.849 1.00 0.00 C ATOM 1225 CD2 LEU A3313 -15.238 -1.826 4.121 1.00 0.00 C ATOM 0 H LEU A3313 -12.275 -2.073 0.349 1.00 0.00 H new ATOM 0 HA LEU A3313 -12.631 -1.748 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A3313 -14.266 -1.199 1.372 1.00 0.00 H new ATOM 0 HB3 LEU A3313 -14.392 -2.880 0.892 1.00 0.00 H new ATOM 0 HG LEU A3313 -16.206 -1.824 2.233 1.00 0.00 H new ATOM 0 HD11 LEU A3313 -16.716 -3.933 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A3313 -16.190 -4.244 1.873 1.00 0.00 H new ATOM 0 HD13 LEU A3313 -15.053 -4.477 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A3313 -16.131 -2.014 4.717 1.00 0.00 H new ATOM 0 HD22 LEU A3313 -14.378 -2.296 4.599 1.00 0.00 H new ATOM 0 HD23 LEU A3313 -15.071 -0.751 4.048 1.00 0.00 H new ATOM 1237 N ALA A3314 -12.448 -4.879 2.012 1.00 0.00 N ATOM 1238 CA ALA A3314 -12.320 -6.225 2.525 1.00 0.00 C ATOM 1239 C ALA A3314 -11.046 -6.421 3.356 1.00 0.00 C ATOM 1240 O ALA A3314 -11.031 -7.238 4.271 1.00 0.00 O ATOM 1241 CB ALA A3314 -12.359 -7.175 1.341 1.00 0.00 C ATOM 0 H ALA A3314 -12.377 -4.786 0.999 1.00 0.00 H new ATOM 0 HA ALA A3314 -13.145 -6.429 3.207 1.00 0.00 H new ATOM 0 HB1 ALA A3314 -12.264 -8.202 1.695 1.00 0.00 H new ATOM 0 HB2 ALA A3314 -13.305 -7.059 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A3314 -11.535 -6.947 0.664 1.00 0.00 H new ATOM 1247 N MET A3315 -9.989 -5.649 3.090 1.00 0.00 N ATOM 1248 CA MET A3315 -8.706 -5.767 3.790 1.00 0.00 C ATOM 1249 C MET A3315 -8.783 -5.127 5.162 1.00 0.00 C ATOM 1250 O MET A3315 -8.459 -5.744 6.176 1.00 0.00 O ATOM 1251 CB MET A3315 -7.581 -5.097 2.989 1.00 0.00 C ATOM 1252 CG MET A3315 -7.537 -5.581 1.545 1.00 0.00 C ATOM 1253 SD MET A3315 -6.191 -6.729 1.139 1.00 0.00 S ATOM 1254 CE MET A3315 -4.766 -5.609 1.159 1.00 0.00 C ATOM 0 H MET A3315 -9.999 -4.919 2.378 1.00 0.00 H new ATOM 0 HA MET A3315 -8.488 -6.830 3.897 1.00 0.00 H new ATOM 0 HB2 MET A3315 -7.720 -4.016 3.004 1.00 0.00 H new ATOM 0 HB3 MET A3315 -6.624 -5.302 3.469 1.00 0.00 H new ATOM 0 HG2 MET A3315 -8.485 -6.067 1.315 1.00 0.00 H new ATOM 0 HG3 MET A3315 -7.457 -4.712 0.892 1.00 0.00 H new ATOM 0 HE1 MET A3315 -3.860 -6.169 0.927 1.00 0.00 H new ATOM 0 HE2 MET A3315 -4.909 -4.825 0.415 1.00 0.00 H new ATOM 0 HE3 MET A3315 -4.671 -5.159 2.147 1.00 0.00 H new ATOM 1264 N LEU A3316 -9.174 -3.855 5.201 1.00 0.00 N ATOM 1265 CA LEU A3316 -9.311 -3.105 6.445 1.00 0.00 C ATOM 1266 C LEU A3316 -10.375 -3.742 7.330 1.00 0.00 C ATOM 1267 O LEU A3316 -10.234 -3.716 8.555 1.00 0.00 O ATOM 1268 CB LEU A3316 -9.611 -1.626 6.170 1.00 0.00 C ATOM 1269 CG LEU A3316 -10.802 -1.382 5.216 1.00 0.00 C ATOM 1270 CD1 LEU A3316 -12.120 -1.158 5.966 1.00 0.00 C ATOM 1271 CD2 LEU A3316 -10.568 -0.141 4.357 1.00 0.00 C ATOM 0 H LEU A3316 -9.405 -3.315 4.367 1.00 0.00 H new ATOM 0 HA LEU A3316 -8.362 -3.143 6.980 1.00 0.00 H new ATOM 0 HB2 LEU A3316 -9.812 -1.127 7.118 1.00 0.00 H new ATOM 0 HB3 LEU A3316 -8.721 -1.160 5.747 1.00 0.00 H new ATOM 0 HG LEU A3316 -10.874 -2.282 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A3316 -12.923 -0.992 5.248 1.00 0.00 H new ATOM 0 HD12 LEU A3316 -12.349 -2.036 6.570 1.00 0.00 H new ATOM 0 HD13 LEU A3316 -12.026 -0.287 6.614 1.00 0.00 H new ATOM 0 HD21 LEU A3316 -11.420 0.009 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A3316 -10.451 0.731 5.001 1.00 0.00 H new ATOM 0 HD23 LEU A3316 -9.665 -0.276 3.762 1.00 0.00 H new ATOM 1283 N ASN A3317 -11.416 -4.329 6.735 1.00 0.00 N ATOM 1284 CA ASN A3317 -12.477 -4.975 7.493 1.00 0.00 C ATOM 1285 C ASN A3317 -12.097 -6.413 7.844 1.00 0.00 C ATOM 1286 O ASN A3317 -12.642 -6.977 8.792 1.00 0.00 O ATOM 1287 CB ASN A3317 -13.798 -4.916 6.722 1.00 0.00 C ATOM 1288 CG ASN A3317 -14.965 -4.802 7.675 1.00 0.00 C ATOM 1289 OD1 ASN A3317 -15.782 -5.705 7.791 1.00 0.00 O ATOM 1290 ND2 ASN A3317 -15.057 -3.685 8.379 1.00 0.00 N ATOM 0 H ASN A3317 -11.542 -4.367 5.724 1.00 0.00 H new ATOM 0 HA ASN A3317 -12.612 -4.435 8.430 1.00 0.00 H new ATOM 0 HB2 ASN A3317 -13.791 -4.063 6.043 1.00 0.00 H new ATOM 0 HB3 ASN A3317 -13.908 -5.811 6.109 1.00 0.00 H new ATOM 0 HD21 ASN A3317 -15.824 -3.560 9.039 1.00 0.00 H new ATOM 0 HD22 ASN A3317 -14.361 -2.949 8.261 1.00 0.00 H new ATOM 1297 N GLY A3318 -11.107 -6.960 7.133 1.00 0.00 N ATOM 1298 CA GLY A3318 -10.563 -8.307 7.297 1.00 0.00 C ATOM 1299 C GLY A3318 -11.675 -9.329 7.144 1.00 0.00 C ATOM 1300 O GLY A3318 -11.872 -10.180 8.016 1.00 0.00 O ATOM 0 H GLY A3318 -10.639 -6.445 6.387 1.00 0.00 H new ATOM 0 HA2 GLY A3318 -9.785 -8.488 6.556 1.00 0.00 H new ATOM 0 HA3 GLY A3318 -10.098 -8.405 8.278 1.00 0.00 H new