USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 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 16 GLN : amide:sc= -0.202 X(o=-0.93,f=-0.65) USER MOD Set 1.2: A 81 MET CE :methyl -147:sc= -0.732 (180deg=-2.01!) USER MOD Set 2.1: A 69 SER OG : rot -85:sc= 0.728 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 45 MET CE :methyl 156:sc= -2.91! (180deg=-5.25!) USER MOD Set 3.2: A 80 MET CE :methyl 167:sc= -1.42! (180deg=-1.7!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc=-0.00477 X(o=-0.0048,f=-0.0048) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc=3.37e-06 X(o=3.4e-06,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot -6:sc= -0.0976 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0215 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 140:sc= -1.08 (180deg=-1.35) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0205 X(o=-0.021,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.799 USER MOD Single : A 58 GLN : amide:sc= -0.654 K(o=-0.65,f=-0.11) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 180:sc= -0.0311 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 8.350 -5.076 -17.235 1.00 0.00 N ATOM 47 CA ILE A 4 7.215 -5.712 -16.552 1.00 0.00 C ATOM 48 C ILE A 4 5.940 -4.879 -16.732 1.00 0.00 C ATOM 49 O ILE A 4 4.831 -5.413 -16.702 1.00 0.00 O ATOM 50 CB ILE A 4 7.495 -5.910 -15.047 1.00 0.00 C ATOM 51 CG1 ILE A 4 7.441 -4.559 -14.298 1.00 0.00 C ATOM 52 CG2 ILE A 4 8.868 -6.568 -14.852 1.00 0.00 C ATOM 53 CD1 ILE A 4 8.711 -3.735 -14.550 1.00 0.00 C ATOM 0 HA ILE A 4 7.073 -6.693 -17.006 1.00 0.00 H new ATOM 0 HB ILE A 4 6.725 -6.562 -14.634 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.567 -3.994 -14.623 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.326 -4.737 -13.229 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.058 -6.704 -13.787 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.881 -7.538 -15.350 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.641 -5.930 -15.280 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.645 -2.790 -14.011 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.581 -4.292 -14.201 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.811 -3.537 -15.617 1.00 0.00 H new ATOM 65 N TYR A 5 6.117 -3.566 -16.929 1.00 0.00 N ATOM 66 CA TYR A 5 4.983 -2.661 -17.126 1.00 0.00 C ATOM 67 C TYR A 5 4.370 -2.876 -18.506 1.00 0.00 C ATOM 68 O TYR A 5 3.159 -2.761 -18.683 1.00 0.00 O ATOM 69 CB TYR A 5 5.427 -1.199 -17.009 1.00 0.00 C ATOM 70 CG TYR A 5 6.226 -1.014 -15.743 1.00 0.00 C ATOM 71 CD1 TYR A 5 5.621 -1.223 -14.501 1.00 0.00 C ATOM 72 CD2 TYR A 5 7.573 -0.644 -15.815 1.00 0.00 C ATOM 73 CE1 TYR A 5 6.362 -1.059 -13.327 1.00 0.00 C ATOM 74 CE2 TYR A 5 8.315 -0.481 -14.643 1.00 0.00 C ATOM 75 CZ TYR A 5 7.710 -0.688 -13.397 1.00 0.00 C ATOM 76 OH TYR A 5 8.443 -0.527 -12.239 1.00 0.00 O ATOM 0 H TYR A 5 7.030 -3.111 -16.956 1.00 0.00 H new ATOM 0 HA TYR A 5 4.245 -2.878 -16.353 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.028 -0.920 -17.875 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.556 -0.543 -17.001 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.581 -1.511 -14.448 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.039 -0.484 -16.776 1.00 0.00 H new ATOM 0 HE1 TYR A 5 5.895 -1.218 -12.366 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.355 -0.195 -14.698 1.00 0.00 H new ATOM 0 HH TYR A 5 9.361 -0.269 -12.466 1.00 0.00 H new ATOM 86 N LYS A 6 5.228 -3.195 -19.480 1.00 0.00 N ATOM 87 CA LYS A 6 4.771 -3.437 -20.854 1.00 0.00 C ATOM 88 C LYS A 6 4.068 -4.789 -20.937 1.00 0.00 C ATOM 89 O LYS A 6 3.086 -4.952 -21.661 1.00 0.00 O ATOM 90 CB LYS A 6 5.952 -3.427 -21.837 1.00 0.00 C ATOM 91 CG LYS A 6 6.909 -2.270 -21.515 1.00 0.00 C ATOM 92 CD LYS A 6 6.113 -0.981 -21.281 1.00 0.00 C ATOM 93 CE LYS A 6 7.038 0.094 -20.704 1.00 0.00 C ATOM 94 NZ LYS A 6 6.555 1.444 -21.116 1.00 0.00 N ATOM 0 H LYS A 6 6.235 -3.291 -19.346 1.00 0.00 H new ATOM 0 HA LYS A 6 4.079 -2.639 -21.124 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.487 -4.375 -21.782 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.583 -3.328 -22.858 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.497 -2.510 -20.629 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.612 -2.129 -22.336 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.677 -0.635 -22.218 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.287 -1.171 -20.596 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.062 0.022 -19.617 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.058 -0.062 -21.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.184 2.173 -20.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.554 1.510 -22.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.590 1.591 -20.759 1.00 0.00 H new ATOM 108 N ALA A 7 4.583 -5.750 -20.171 1.00 0.00 N ATOM 109 CA ALA A 7 4.002 -7.090 -20.137 1.00 0.00 C ATOM 110 C ALA A 7 2.689 -7.093 -19.346 1.00 0.00 C ATOM 111 O ALA A 7 1.807 -7.913 -19.600 1.00 0.00 O ATOM 112 CB ALA A 7 4.975 -8.078 -19.491 1.00 0.00 C ATOM 0 H ALA A 7 5.397 -5.626 -19.569 1.00 0.00 H new ATOM 0 HA ALA A 7 3.803 -7.393 -21.165 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.527 -9.071 -19.474 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.900 -8.107 -20.067 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.193 -7.760 -18.471 1.00 0.00 H new ATOM 118 N ALA A 8 2.568 -6.167 -18.382 1.00 0.00 N ATOM 119 CA ALA A 8 1.360 -6.079 -17.561 1.00 0.00 C ATOM 120 C ALA A 8 0.298 -5.204 -18.227 1.00 0.00 C ATOM 121 O ALA A 8 -0.889 -5.524 -18.181 1.00 0.00 O ATOM 122 CB ALA A 8 1.689 -5.492 -16.190 1.00 0.00 C ATOM 0 H ALA A 8 3.285 -5.478 -18.157 1.00 0.00 H new ATOM 0 HA ALA A 8 0.969 -7.090 -17.449 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.780 -5.433 -15.592 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.415 -6.130 -15.686 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.108 -4.493 -16.313 1.00 0.00 H new ATOM 128 N VAL A 9 0.734 -4.094 -18.837 1.00 0.00 N ATOM 129 CA VAL A 9 -0.197 -3.173 -19.503 1.00 0.00 C ATOM 130 C VAL A 9 -0.983 -3.878 -20.619 1.00 0.00 C ATOM 131 O VAL A 9 -2.102 -3.481 -20.945 1.00 0.00 O ATOM 132 CB VAL A 9 0.562 -1.966 -20.078 1.00 0.00 C ATOM 133 CG1 VAL A 9 1.262 -2.349 -21.384 1.00 0.00 C ATOM 134 CG2 VAL A 9 -0.420 -0.821 -20.343 1.00 0.00 C ATOM 0 H VAL A 9 1.714 -3.814 -18.883 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.909 -2.825 -18.755 1.00 0.00 H new ATOM 0 HB VAL A 9 1.313 -1.647 -19.355 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.795 -1.484 -21.778 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.970 -3.156 -21.194 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.520 -2.681 -22.111 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.119 0.034 -20.751 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.175 -1.148 -21.058 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.904 -0.533 -19.410 1.00 0.00 H new ATOM 144 N GLU A 10 -0.391 -4.927 -21.197 1.00 0.00 N ATOM 145 CA GLU A 10 -1.054 -5.677 -22.267 1.00 0.00 C ATOM 146 C GLU A 10 -1.997 -6.748 -21.698 1.00 0.00 C ATOM 147 O GLU A 10 -2.793 -7.332 -22.436 1.00 0.00 O ATOM 148 CB GLU A 10 -0.016 -6.355 -23.166 1.00 0.00 C ATOM 149 CG GLU A 10 0.696 -5.299 -24.015 1.00 0.00 C ATOM 150 CD GLU A 10 1.777 -5.965 -24.861 1.00 0.00 C ATOM 151 OE1 GLU A 10 2.874 -6.144 -24.354 1.00 0.00 O ATOM 152 OE2 GLU A 10 1.494 -6.287 -26.004 1.00 0.00 O ATOM 0 H GLU A 10 0.535 -5.273 -20.946 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.639 -4.965 -22.849 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.709 -6.896 -22.558 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.502 -7.088 -23.811 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.022 -4.791 -24.659 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.140 -4.540 -23.371 1.00 0.00 H new ATOM 159 N GLN A 11 -1.897 -7.012 -20.386 1.00 0.00 N ATOM 160 CA GLN A 11 -2.739 -8.027 -19.748 1.00 0.00 C ATOM 161 C GLN A 11 -3.922 -7.401 -19.004 1.00 0.00 C ATOM 162 O GLN A 11 -4.991 -8.008 -18.911 1.00 0.00 O ATOM 163 CB GLN A 11 -1.917 -8.851 -18.754 1.00 0.00 C ATOM 164 CG GLN A 11 -0.701 -9.454 -19.463 1.00 0.00 C ATOM 165 CD GLN A 11 -1.130 -10.671 -20.277 1.00 0.00 C ATOM 166 OE1 GLN A 11 -1.260 -11.771 -19.738 1.00 0.00 O ATOM 167 NE2 GLN A 11 -1.360 -10.541 -21.555 1.00 0.00 N ATOM 0 H GLN A 11 -1.248 -6.541 -19.755 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.124 -8.666 -20.542 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.592 -8.221 -17.926 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.532 -9.644 -18.328 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.243 -8.711 -20.116 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.053 -9.742 -18.731 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.253 -9.631 -22.002 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.647 -11.350 -22.106 1.00 0.00 H new ATOM 176 N LEU A 12 -3.722 -6.195 -18.463 1.00 0.00 N ATOM 177 CA LEU A 12 -4.790 -5.521 -17.717 1.00 0.00 C ATOM 178 C LEU A 12 -5.873 -4.991 -18.659 1.00 0.00 C ATOM 179 O LEU A 12 -5.698 -4.953 -19.881 1.00 0.00 O ATOM 180 CB LEU A 12 -4.239 -4.362 -16.870 1.00 0.00 C ATOM 181 CG LEU A 12 -3.232 -3.431 -17.560 1.00 0.00 C ATOM 182 CD1 LEU A 12 -3.877 -2.780 -18.782 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.795 -2.341 -16.577 1.00 0.00 C ATOM 0 H LEU A 12 -2.848 -5.673 -18.525 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.229 -6.264 -17.052 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.080 -3.760 -16.526 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.764 -4.782 -15.984 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.366 -4.012 -17.878 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.156 -2.121 -19.266 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.190 -3.553 -19.484 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.746 -2.201 -18.470 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.080 -1.678 -17.063 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.665 -1.766 -16.260 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.328 -2.802 -15.706 1.00 0.00 H new ATOM 195 N THR A 13 -6.999 -4.593 -18.067 1.00 0.00 N ATOM 196 CA THR A 13 -8.131 -4.067 -18.833 1.00 0.00 C ATOM 197 C THR A 13 -8.621 -2.755 -18.230 1.00 0.00 C ATOM 198 O THR A 13 -8.106 -2.293 -17.207 1.00 0.00 O ATOM 199 CB THR A 13 -9.297 -5.068 -18.822 1.00 0.00 C ATOM 200 OG1 THR A 13 -9.248 -5.858 -17.639 1.00 0.00 O ATOM 201 CG2 THR A 13 -9.205 -5.975 -20.044 1.00 0.00 C ATOM 0 H THR A 13 -7.153 -4.624 -17.059 1.00 0.00 H new ATOM 0 HA THR A 13 -7.792 -3.901 -19.855 1.00 0.00 H new ATOM 0 HB THR A 13 -10.238 -4.518 -18.847 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.995 -6.492 -17.638 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.033 -6.684 -20.034 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.255 -5.371 -20.950 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.261 -6.519 -20.023 1.00 0.00 H new ATOM 209 N ASP A 14 -9.647 -2.175 -18.859 1.00 0.00 N ATOM 210 CA ASP A 14 -10.235 -0.934 -18.358 1.00 0.00 C ATOM 211 C ASP A 14 -10.798 -1.170 -16.953 1.00 0.00 C ATOM 212 O ASP A 14 -10.815 -0.266 -16.116 1.00 0.00 O ATOM 213 CB ASP A 14 -11.366 -0.461 -19.278 1.00 0.00 C ATOM 214 CG ASP A 14 -11.755 0.972 -18.923 1.00 0.00 C ATOM 215 OD1 ASP A 14 -11.118 1.882 -19.430 1.00 0.00 O ATOM 216 OD2 ASP A 14 -12.686 1.141 -18.150 1.00 0.00 O ATOM 0 H ASP A 14 -10.082 -2.541 -19.706 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.460 -0.168 -18.330 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.047 -0.514 -20.319 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.230 -1.118 -19.176 1.00 0.00 H new ATOM 221 N GLU A 15 -11.242 -2.411 -16.708 1.00 0.00 N ATOM 222 CA GLU A 15 -11.791 -2.785 -15.405 1.00 0.00 C ATOM 223 C GLU A 15 -10.699 -2.740 -14.336 1.00 0.00 C ATOM 224 O GLU A 15 -10.944 -2.303 -13.212 1.00 0.00 O ATOM 225 CB GLU A 15 -12.389 -4.196 -15.453 1.00 0.00 C ATOM 226 CG GLU A 15 -13.754 -4.156 -16.147 1.00 0.00 C ATOM 227 CD GLU A 15 -14.793 -3.547 -15.207 1.00 0.00 C ATOM 228 OE1 GLU A 15 -15.333 -4.282 -14.396 1.00 0.00 O ATOM 229 OE2 GLU A 15 -15.033 -2.354 -15.314 1.00 0.00 O ATOM 0 H GLU A 15 -11.230 -3.166 -17.393 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.576 -2.072 -15.155 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.718 -4.868 -15.988 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.496 -4.591 -14.443 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.690 -3.569 -17.063 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.056 -5.163 -16.435 1.00 0.00 H new ATOM 236 N GLN A 16 -9.489 -3.186 -14.702 1.00 0.00 N ATOM 237 CA GLN A 16 -8.357 -3.177 -13.766 1.00 0.00 C ATOM 238 C GLN A 16 -8.103 -1.759 -13.269 1.00 0.00 C ATOM 239 O GLN A 16 -8.032 -1.521 -12.063 1.00 0.00 O ATOM 240 CB GLN A 16 -7.087 -3.709 -14.439 1.00 0.00 C ATOM 241 CG GLN A 16 -7.074 -5.239 -14.381 1.00 0.00 C ATOM 242 CD GLN A 16 -6.629 -5.693 -12.993 1.00 0.00 C ATOM 243 OE1 GLN A 16 -7.443 -6.156 -12.194 1.00 0.00 O ATOM 244 NE2 GLN A 16 -5.372 -5.585 -12.655 1.00 0.00 N ATOM 0 H GLN A 16 -9.271 -3.553 -15.628 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.609 -3.824 -12.925 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.046 -3.374 -15.476 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.204 -3.309 -13.940 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.067 -5.630 -14.602 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.399 -5.636 -15.139 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.697 -5.201 -13.317 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.065 -5.884 -11.729 1.00 0.00 H new ATOM 253 N LYS A 17 -7.994 -0.814 -14.210 1.00 0.00 N ATOM 254 CA LYS A 17 -7.777 0.589 -13.848 1.00 0.00 C ATOM 255 C LYS A 17 -8.922 1.074 -12.956 1.00 0.00 C ATOM 256 O LYS A 17 -8.710 1.850 -12.026 1.00 0.00 O ATOM 257 CB LYS A 17 -7.704 1.472 -15.097 1.00 0.00 C ATOM 258 CG LYS A 17 -6.252 1.565 -15.575 1.00 0.00 C ATOM 259 CD LYS A 17 -6.146 1.048 -17.011 1.00 0.00 C ATOM 260 CE LYS A 17 -6.554 2.155 -17.989 1.00 0.00 C ATOM 261 NZ LYS A 17 -5.714 2.071 -19.218 1.00 0.00 N ATOM 0 H LYS A 17 -8.052 -0.992 -15.213 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.830 0.660 -13.313 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.331 1.057 -15.886 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.089 2.467 -14.874 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.908 2.598 -15.524 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.606 0.981 -14.920 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.126 0.725 -17.217 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.789 0.178 -17.143 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.608 2.054 -18.249 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.433 3.131 -17.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.992 2.823 -19.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.713 2.187 -18.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.851 1.144 -19.669 1.00 0.00 H new ATOM 275 N ASN A 18 -10.133 0.582 -13.245 1.00 0.00 N ATOM 276 CA ASN A 18 -11.316 0.939 -12.459 1.00 0.00 C ATOM 277 C ASN A 18 -11.185 0.398 -11.029 1.00 0.00 C ATOM 278 O ASN A 18 -11.607 1.046 -10.070 1.00 0.00 O ATOM 279 CB ASN A 18 -12.581 0.357 -13.103 1.00 0.00 C ATOM 280 CG ASN A 18 -13.405 1.483 -13.720 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.226 2.102 -13.042 1.00 0.00 O ATOM 282 ND2 ASN A 18 -13.234 1.790 -14.978 1.00 0.00 N ATOM 0 H ASN A 18 -10.317 -0.062 -14.015 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.392 2.026 -12.432 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.310 -0.370 -13.868 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.172 -0.172 -12.355 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.780 2.542 -15.398 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.554 1.278 -15.540 1.00 0.00 H new ATOM 289 N GLU A 19 -10.586 -0.796 -10.904 1.00 0.00 N ATOM 290 CA GLU A 19 -10.387 -1.424 -9.592 1.00 0.00 C ATOM 291 C GLU A 19 -9.436 -0.584 -8.744 1.00 0.00 C ATOM 292 O GLU A 19 -9.767 -0.193 -7.624 1.00 0.00 O ATOM 293 CB GLU A 19 -9.795 -2.831 -9.740 1.00 0.00 C ATOM 294 CG GLU A 19 -10.761 -3.724 -10.523 1.00 0.00 C ATOM 295 CD GLU A 19 -10.717 -5.142 -9.963 1.00 0.00 C ATOM 296 OE1 GLU A 19 -11.489 -5.427 -9.061 1.00 0.00 O ATOM 297 OE2 GLU A 19 -9.913 -5.923 -10.444 1.00 0.00 O ATOM 0 H GLU A 19 -10.234 -1.342 -11.690 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.361 -1.492 -9.108 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.836 -2.779 -10.255 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.606 -3.260 -8.756 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.774 -3.327 -10.456 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.491 -3.731 -11.579 1.00 0.00 H new ATOM 304 N PHE A 20 -8.249 -0.312 -9.298 1.00 0.00 N ATOM 305 CA PHE A 20 -7.245 0.487 -8.589 1.00 0.00 C ATOM 306 C PHE A 20 -7.762 1.905 -8.334 1.00 0.00 C ATOM 307 O PHE A 20 -7.514 2.480 -7.274 1.00 0.00 O ATOM 308 CB PHE A 20 -5.943 0.575 -9.395 1.00 0.00 C ATOM 309 CG PHE A 20 -5.291 -0.787 -9.465 1.00 0.00 C ATOM 310 CD1 PHE A 20 -4.579 -1.286 -8.367 1.00 0.00 C ATOM 311 CD2 PHE A 20 -5.399 -1.549 -10.632 1.00 0.00 C ATOM 312 CE1 PHE A 20 -3.976 -2.547 -8.439 1.00 0.00 C ATOM 313 CE2 PHE A 20 -4.798 -2.808 -10.705 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.086 -3.308 -9.609 1.00 0.00 C ATOM 0 H PHE A 20 -7.963 -0.629 -10.224 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.049 -0.008 -7.638 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.151 0.941 -10.400 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.264 1.290 -8.930 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.495 -0.698 -7.465 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.948 -1.164 -11.479 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.426 -2.933 -7.593 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.883 -3.395 -11.607 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.621 -4.281 -9.666 1.00 0.00 H new ATOM 324 N LYS A 21 -8.485 2.458 -9.317 1.00 0.00 N ATOM 325 CA LYS A 21 -9.037 3.810 -9.188 1.00 0.00 C ATOM 326 C LYS A 21 -10.002 3.880 -8.006 1.00 0.00 C ATOM 327 O LYS A 21 -9.945 4.811 -7.204 1.00 0.00 O ATOM 328 CB LYS A 21 -9.775 4.223 -10.469 1.00 0.00 C ATOM 329 CG LYS A 21 -10.182 5.699 -10.383 1.00 0.00 C ATOM 330 CD LYS A 21 -8.933 6.573 -10.231 1.00 0.00 C ATOM 331 CE LYS A 21 -9.295 8.038 -10.491 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.194 8.330 -11.951 1.00 0.00 N ATOM 0 H LYS A 21 -8.699 1.995 -10.200 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.206 4.495 -9.020 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.134 4.063 -11.336 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.659 3.600 -10.607 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.732 5.987 -11.279 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.850 5.853 -9.536 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.520 6.463 -9.228 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.163 6.249 -10.931 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.307 8.241 -10.139 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.626 8.693 -9.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.440 9.325 -12.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.221 8.153 -12.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.850 7.715 -12.474 1.00 0.00 H new ATOM 346 N ALA A 22 -10.881 2.879 -7.901 1.00 0.00 N ATOM 347 CA ALA A 22 -11.846 2.830 -6.800 1.00 0.00 C ATOM 348 C ALA A 22 -11.116 2.636 -5.472 1.00 0.00 C ATOM 349 O ALA A 22 -11.421 3.302 -4.484 1.00 0.00 O ATOM 350 CB ALA A 22 -12.838 1.683 -7.000 1.00 0.00 C ATOM 0 H ALA A 22 -10.944 2.100 -8.557 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.392 3.773 -6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.545 1.665 -6.171 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.379 1.828 -7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.298 0.737 -7.037 1.00 0.00 H new ATOM 356 N ALA A 23 -10.134 1.725 -5.472 1.00 0.00 N ATOM 357 CA ALA A 23 -9.338 1.450 -4.271 1.00 0.00 C ATOM 358 C ALA A 23 -8.554 2.695 -3.843 1.00 0.00 C ATOM 359 O ALA A 23 -8.195 2.841 -2.673 1.00 0.00 O ATOM 360 CB ALA A 23 -8.352 0.307 -4.531 1.00 0.00 C ATOM 0 H ALA A 23 -9.873 1.169 -6.286 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.026 1.165 -3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.770 0.117 -3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.902 -0.593 -4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.681 0.583 -5.344 1.00 0.00 H new ATOM 366 N PHE A 24 -8.300 3.592 -4.801 1.00 0.00 N ATOM 367 CA PHE A 24 -7.570 4.822 -4.518 1.00 0.00 C ATOM 368 C PHE A 24 -8.538 5.911 -4.044 1.00 0.00 C ATOM 369 O PHE A 24 -8.367 6.479 -2.968 1.00 0.00 O ATOM 370 CB PHE A 24 -6.842 5.306 -5.781 1.00 0.00 C ATOM 371 CG PHE A 24 -5.635 6.134 -5.405 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.417 5.506 -5.113 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.730 7.529 -5.356 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.298 6.274 -4.769 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.610 8.297 -5.014 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.395 7.670 -4.719 1.00 0.00 C ATOM 0 H PHE A 24 -8.589 3.486 -5.773 1.00 0.00 H new ATOM 0 HA PHE A 24 -6.840 4.620 -3.734 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.532 4.450 -6.381 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.520 5.898 -6.396 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.341 4.429 -5.153 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.668 8.014 -5.582 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.360 5.790 -4.542 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.684 9.374 -4.978 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.532 8.262 -4.453 1.00 0.00 H new ATOM 386 N ASP A 25 -9.552 6.188 -4.874 1.00 0.00 N ATOM 387 CA ASP A 25 -10.556 7.218 -4.571 1.00 0.00 C ATOM 388 C ASP A 25 -11.171 7.054 -3.178 1.00 0.00 C ATOM 389 O ASP A 25 -11.392 8.044 -2.479 1.00 0.00 O ATOM 390 CB ASP A 25 -11.683 7.182 -5.609 1.00 0.00 C ATOM 391 CG ASP A 25 -11.311 8.063 -6.800 1.00 0.00 C ATOM 392 OD1 ASP A 25 -10.457 7.657 -7.570 1.00 0.00 O ATOM 393 OD2 ASP A 25 -11.886 9.132 -6.923 1.00 0.00 O ATOM 0 H ASP A 25 -9.700 5.712 -5.764 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.034 8.174 -4.601 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.853 6.158 -5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.614 7.531 -5.162 1.00 0.00 H new ATOM 398 N ILE A 26 -11.457 5.807 -2.783 1.00 0.00 N ATOM 399 CA ILE A 26 -12.059 5.553 -1.464 1.00 0.00 C ATOM 400 C ILE A 26 -11.214 6.168 -0.343 1.00 0.00 C ATOM 401 O ILE A 26 -11.751 6.683 0.640 1.00 0.00 O ATOM 402 CB ILE A 26 -12.224 4.049 -1.208 1.00 0.00 C ATOM 403 CG1 ILE A 26 -10.876 3.336 -1.398 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.258 3.477 -2.184 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.036 1.838 -1.131 1.00 0.00 C ATOM 0 H ILE A 26 -11.286 4.972 -3.343 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.043 6.022 -1.467 1.00 0.00 H new ATOM 0 HB ILE A 26 -12.566 3.891 -0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.510 3.496 -2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.133 3.758 -0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.377 2.409 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.214 3.978 -2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -12.919 3.637 -3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.076 1.340 -1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.382 1.686 -0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -11.764 1.420 -1.826 1.00 0.00 H new ATOM 417 N PHE A 27 -9.889 6.108 -0.503 1.00 0.00 N ATOM 418 CA PHE A 27 -8.978 6.662 0.500 1.00 0.00 C ATOM 419 C PHE A 27 -8.702 8.149 0.249 1.00 0.00 C ATOM 420 O PHE A 27 -8.382 8.889 1.181 1.00 0.00 O ATOM 421 CB PHE A 27 -7.650 5.900 0.493 1.00 0.00 C ATOM 422 CG PHE A 27 -7.811 4.612 1.267 1.00 0.00 C ATOM 423 CD1 PHE A 27 -7.774 4.625 2.666 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.003 3.406 0.583 1.00 0.00 C ATOM 425 CE1 PHE A 27 -7.928 3.431 3.381 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.158 2.214 1.298 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.120 2.225 2.695 1.00 0.00 C ATOM 0 H PHE A 27 -9.428 5.686 -1.309 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.462 6.555 1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.345 5.687 -0.531 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.865 6.510 0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.627 5.556 3.194 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.031 3.396 -0.497 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.899 3.440 4.461 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.307 1.284 0.770 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.239 1.304 3.246 1.00 0.00 H new ATOM 437 N ILE A 28 -8.827 8.587 -1.014 1.00 0.00 N ATOM 438 CA ILE A 28 -8.583 9.995 -1.355 1.00 0.00 C ATOM 439 C ILE A 28 -9.888 10.804 -1.311 1.00 0.00 C ATOM 440 O ILE A 28 -10.067 11.765 -2.064 1.00 0.00 O ATOM 441 CB ILE A 28 -7.953 10.124 -2.755 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.836 9.089 -2.948 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.356 11.521 -2.937 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.021 8.925 -1.661 1.00 0.00 C ATOM 0 H ILE A 28 -9.091 7.997 -1.803 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.889 10.393 -0.614 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.739 9.952 -3.491 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.268 8.130 -3.236 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.181 9.401 -3.762 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.913 11.601 -3.930 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.141 12.269 -2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.587 11.689 -2.183 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.235 8.187 -1.820 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.572 9.881 -1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.675 8.590 -0.856 1.00 0.00 H new ATOM 456 N GLN A 29 -10.793 10.417 -0.405 1.00 0.00 N ATOM 457 CA GLN A 29 -12.066 11.128 -0.259 1.00 0.00 C ATOM 458 C GLN A 29 -11.835 12.499 0.384 1.00 0.00 C ATOM 459 O GLN A 29 -12.556 13.458 0.106 1.00 0.00 O ATOM 460 CB GLN A 29 -13.059 10.324 0.597 1.00 0.00 C ATOM 461 CG GLN A 29 -12.409 9.915 1.925 1.00 0.00 C ATOM 462 CD GLN A 29 -13.494 9.600 2.949 1.00 0.00 C ATOM 463 OE1 GLN A 29 -13.842 8.436 3.157 1.00 0.00 O ATOM 464 NE2 GLN A 29 -14.058 10.576 3.611 1.00 0.00 N ATOM 0 H GLN A 29 -10.670 9.627 0.229 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.491 11.256 -1.255 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.950 10.921 0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.382 9.436 0.054 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.771 9.044 1.776 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.771 10.719 2.292 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.772 11.540 3.441 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.784 10.373 4.298 1.00 0.00 H new ATOM 473 N ASP A 30 -10.809 12.577 1.242 1.00 0.00 N ATOM 474 CA ASP A 30 -10.471 13.827 1.917 1.00 0.00 C ATOM 475 C ASP A 30 -8.972 13.865 2.250 1.00 0.00 C ATOM 476 O ASP A 30 -8.570 14.294 3.336 1.00 0.00 O ATOM 477 CB ASP A 30 -11.291 13.975 3.205 1.00 0.00 C ATOM 478 CG ASP A 30 -11.463 15.455 3.541 1.00 0.00 C ATOM 479 OD1 ASP A 30 -12.242 16.110 2.866 1.00 0.00 O ATOM 480 OD2 ASP A 30 -10.815 15.911 4.469 1.00 0.00 O ATOM 0 H ASP A 30 -10.204 11.791 1.481 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.707 14.654 1.248 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.267 13.505 3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.791 13.462 4.026 1.00 0.00 H new ATOM 485 N ALA A 31 -8.146 13.410 1.297 1.00 0.00 N ATOM 486 CA ALA A 31 -6.694 13.395 1.492 1.00 0.00 C ATOM 487 C ALA A 31 -6.135 14.817 1.500 1.00 0.00 C ATOM 488 O ALA A 31 -6.747 15.747 0.969 1.00 0.00 O ATOM 489 CB ALA A 31 -6.012 12.601 0.376 1.00 0.00 C ATOM 0 H ALA A 31 -8.456 13.052 0.394 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.493 12.922 2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.934 12.600 0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.381 11.575 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.235 13.061 -0.587 1.00 0.00 H new ATOM 495 N GLU A 32 -4.959 14.972 2.110 1.00 0.00 N ATOM 496 CA GLU A 32 -4.308 16.283 2.191 1.00 0.00 C ATOM 497 C GLU A 32 -3.810 16.718 0.812 1.00 0.00 C ATOM 498 O GLU A 32 -4.113 17.819 0.348 1.00 0.00 O ATOM 499 CB GLU A 32 -3.120 16.242 3.159 1.00 0.00 C ATOM 500 CG GLU A 32 -3.619 15.968 4.581 1.00 0.00 C ATOM 501 CD GLU A 32 -2.453 15.512 5.454 1.00 0.00 C ATOM 502 OE1 GLU A 32 -2.163 14.327 5.452 1.00 0.00 O ATOM 503 OE2 GLU A 32 -1.867 16.356 6.112 1.00 0.00 O ATOM 0 H GLU A 32 -4.440 14.213 2.552 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.045 16.998 2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.418 15.466 2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.582 17.189 3.129 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.069 16.868 4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.395 15.202 4.564 1.00 0.00 H new ATOM 510 N ASP A 33 -3.046 15.834 0.167 1.00 0.00 N ATOM 511 CA ASP A 33 -2.504 16.118 -1.164 1.00 0.00 C ATOM 512 C ASP A 33 -3.298 15.373 -2.241 1.00 0.00 C ATOM 513 O ASP A 33 -3.499 15.888 -3.343 1.00 0.00 O ATOM 514 CB ASP A 33 -1.034 15.694 -1.244 1.00 0.00 C ATOM 515 CG ASP A 33 -0.285 16.622 -2.198 1.00 0.00 C ATOM 516 OD1 ASP A 33 -0.282 16.341 -3.386 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.273 17.598 -1.726 1.00 0.00 O ATOM 0 H ASP A 33 -2.790 14.921 0.542 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.584 17.191 -1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.580 15.730 -0.254 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.961 14.663 -1.591 1.00 0.00 H new ATOM 522 N GLY A 34 -3.742 14.159 -1.908 1.00 0.00 N ATOM 523 CA GLY A 34 -4.514 13.339 -2.846 1.00 0.00 C ATOM 524 C GLY A 34 -3.884 11.956 -3.017 1.00 0.00 C ATOM 525 O GLY A 34 -3.816 11.429 -4.129 1.00 0.00 O ATOM 0 H GLY A 34 -3.581 13.723 -1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.537 13.234 -2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.567 13.840 -3.813 1.00 0.00 H new ATOM 529 N CYS A 35 -3.427 11.374 -1.901 1.00 0.00 N ATOM 530 CA CYS A 35 -2.800 10.051 -1.926 1.00 0.00 C ATOM 531 C CYS A 35 -3.111 9.291 -0.636 1.00 0.00 C ATOM 532 O CYS A 35 -3.760 9.819 0.271 1.00 0.00 O ATOM 533 CB CYS A 35 -1.282 10.179 -2.063 1.00 0.00 C ATOM 534 SG CYS A 35 -0.872 11.111 -3.559 1.00 0.00 S ATOM 0 H CYS A 35 -3.480 11.798 -0.975 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.200 9.507 -2.782 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.871 10.681 -1.187 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.828 9.189 -2.105 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.957 11.341 -4.238 1.00 0.00 H new ATOM 540 N ILE A 36 -2.631 8.049 -0.560 1.00 0.00 N ATOM 541 CA ILE A 36 -2.853 7.224 0.630 1.00 0.00 C ATOM 542 C ILE A 36 -1.565 7.135 1.453 1.00 0.00 C ATOM 543 O ILE A 36 -0.504 7.575 1.012 1.00 0.00 O ATOM 544 CB ILE A 36 -3.329 5.815 0.245 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.277 5.120 -0.624 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.643 5.910 -0.535 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.578 4.043 0.204 1.00 0.00 C ATOM 0 H ILE A 36 -2.092 7.596 -1.298 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.632 7.694 1.230 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.482 5.236 1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.748 4.674 -1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.550 5.846 -0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.978 4.909 -0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.400 6.390 0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.488 6.498 -1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.827 3.543 -0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.096 4.503 1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.312 3.313 0.545 1.00 0.00 H new ATOM 559 N SER A 37 -1.670 6.576 2.659 1.00 0.00 N ATOM 560 CA SER A 37 -0.509 6.452 3.540 1.00 0.00 C ATOM 561 C SER A 37 0.161 5.088 3.389 1.00 0.00 C ATOM 562 O SER A 37 -0.491 4.085 3.089 1.00 0.00 O ATOM 563 CB SER A 37 -0.924 6.641 5.001 1.00 0.00 C ATOM 564 OG SER A 37 0.217 7.001 5.770 1.00 0.00 O ATOM 0 H SER A 37 -2.538 6.205 3.045 1.00 0.00 H new ATOM 0 HA SER A 37 0.201 7.228 3.253 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.687 7.415 5.077 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.363 5.722 5.388 1.00 0.00 H new ATOM 0 HG SER A 37 -0.045 7.125 6.706 1.00 0.00 H new ATOM 570 N THR A 38 1.474 5.070 3.624 1.00 0.00 N ATOM 571 CA THR A 38 2.253 3.828 3.538 1.00 0.00 C ATOM 572 C THR A 38 1.675 2.776 4.490 1.00 0.00 C ATOM 573 O THR A 38 1.521 1.610 4.127 1.00 0.00 O ATOM 574 CB THR A 38 3.725 4.081 3.903 1.00 0.00 C ATOM 575 OG1 THR A 38 3.803 4.665 5.198 1.00 0.00 O ATOM 576 CG2 THR A 38 4.359 5.026 2.881 1.00 0.00 C ATOM 0 H THR A 38 2.020 5.894 3.874 1.00 0.00 H new ATOM 0 HA THR A 38 2.197 3.466 2.511 1.00 0.00 H new ATOM 0 HB THR A 38 4.261 3.132 3.898 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.742 4.824 5.429 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.402 5.201 3.145 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.307 4.577 1.889 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.821 5.974 2.879 1.00 0.00 H new ATOM 584 N LYS A 39 1.349 3.213 5.712 1.00 0.00 N ATOM 585 CA LYS A 39 0.777 2.318 6.721 1.00 0.00 C ATOM 586 C LYS A 39 -0.632 1.852 6.321 1.00 0.00 C ATOM 587 O LYS A 39 -1.092 0.797 6.761 1.00 0.00 O ATOM 588 CB LYS A 39 0.710 3.028 8.079 1.00 0.00 C ATOM 589 CG LYS A 39 -0.181 4.277 7.982 1.00 0.00 C ATOM 590 CD LYS A 39 -1.326 4.176 8.994 1.00 0.00 C ATOM 591 CE LYS A 39 -0.923 4.877 10.294 1.00 0.00 C ATOM 592 NZ LYS A 39 -1.702 4.309 11.431 1.00 0.00 N ATOM 0 H LYS A 39 1.471 4.176 6.024 1.00 0.00 H new ATOM 0 HA LYS A 39 1.424 1.444 6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.315 2.348 8.834 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.713 3.312 8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.410 5.172 8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.582 4.371 6.973 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.227 4.634 8.586 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.561 3.130 9.190 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.145 4.749 10.472 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.107 5.948 10.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.427 4.786 12.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.718 4.453 11.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.505 3.291 11.512 1.00 0.00 H new ATOM 606 N GLU A 40 -1.309 2.648 5.481 1.00 0.00 N ATOM 607 CA GLU A 40 -2.661 2.309 5.028 1.00 0.00 C ATOM 608 C GLU A 40 -2.639 1.340 3.833 1.00 0.00 C ATOM 609 O GLU A 40 -3.695 0.939 3.338 1.00 0.00 O ATOM 610 CB GLU A 40 -3.416 3.578 4.622 1.00 0.00 C ATOM 611 CG GLU A 40 -3.860 4.334 5.880 1.00 0.00 C ATOM 612 CD GLU A 40 -5.021 5.261 5.535 1.00 0.00 C ATOM 613 OE1 GLU A 40 -4.762 6.332 5.007 1.00 0.00 O ATOM 614 OE2 GLU A 40 -6.151 4.888 5.803 1.00 0.00 O ATOM 0 H GLU A 40 -0.944 3.523 5.105 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.166 1.820 5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.777 4.214 4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.284 3.319 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.162 3.628 6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.028 4.911 6.283 1.00 0.00 H new ATOM 621 N LEU A 41 -1.435 0.964 3.376 1.00 0.00 N ATOM 622 CA LEU A 41 -1.301 0.038 2.246 1.00 0.00 C ATOM 623 C LEU A 41 -1.991 -1.297 2.544 1.00 0.00 C ATOM 624 O LEU A 41 -2.657 -1.867 1.681 1.00 0.00 O ATOM 625 CB LEU A 41 0.178 -0.221 1.940 1.00 0.00 C ATOM 626 CG LEU A 41 0.506 -0.521 0.474 1.00 0.00 C ATOM 627 CD1 LEU A 41 -0.151 -1.838 0.055 1.00 0.00 C ATOM 628 CD2 LEU A 41 -0.011 0.619 -0.411 1.00 0.00 C ATOM 0 H LEU A 41 -0.550 1.284 3.768 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.779 0.500 1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.753 0.651 2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.515 -1.060 2.549 1.00 0.00 H new ATOM 0 HG LEU A 41 1.586 -0.608 0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.085 -2.047 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.225 -2.647 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.232 -1.759 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.223 0.405 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.091 0.711 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.467 1.553 -0.117 1.00 0.00 H new ATOM 640 N GLY A 42 -1.832 -1.788 3.775 1.00 0.00 N ATOM 641 CA GLY A 42 -2.454 -3.057 4.174 1.00 0.00 C ATOM 642 C GLY A 42 -3.984 -3.004 4.051 1.00 0.00 C ATOM 643 O GLY A 42 -4.643 -4.043 3.985 1.00 0.00 O ATOM 0 H GLY A 42 -1.285 -1.334 4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.067 -3.864 3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.180 -3.289 5.203 1.00 0.00 H new ATOM 647 N LYS A 43 -4.538 -1.785 4.027 1.00 0.00 N ATOM 648 CA LYS A 43 -5.985 -1.605 3.919 1.00 0.00 C ATOM 649 C LYS A 43 -6.449 -1.659 2.460 1.00 0.00 C ATOM 650 O LYS A 43 -7.478 -2.265 2.151 1.00 0.00 O ATOM 651 CB LYS A 43 -6.387 -0.255 4.518 1.00 0.00 C ATOM 652 CG LYS A 43 -7.823 -0.328 5.032 1.00 0.00 C ATOM 653 CD LYS A 43 -7.842 -0.951 6.431 1.00 0.00 C ATOM 654 CE LYS A 43 -7.513 0.120 7.475 1.00 0.00 C ATOM 655 NZ LYS A 43 -8.093 -0.271 8.792 1.00 0.00 N ATOM 0 H LYS A 43 -4.007 -0.916 4.081 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.462 -2.418 4.466 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.712 0.008 5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.299 0.529 3.765 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.259 0.670 5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.433 -0.922 4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.822 -1.383 6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.118 -1.764 6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.433 0.238 7.562 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.914 1.084 7.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.869 0.457 9.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.125 -0.362 8.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.690 -1.181 9.092 1.00 0.00 H new ATOM 669 N VAL A 44 -5.687 -1.014 1.569 1.00 0.00 N ATOM 670 CA VAL A 44 -6.038 -0.992 0.143 1.00 0.00 C ATOM 671 C VAL A 44 -5.946 -2.393 -0.467 1.00 0.00 C ATOM 672 O VAL A 44 -6.733 -2.744 -1.348 1.00 0.00 O ATOM 673 CB VAL A 44 -5.136 -0.029 -0.648 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.428 1.412 -0.226 1.00 0.00 C ATOM 675 CG2 VAL A 44 -3.660 -0.338 -0.382 1.00 0.00 C ATOM 0 H VAL A 44 -4.834 -0.506 1.805 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.067 -0.639 0.075 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.342 -0.155 -1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.788 2.092 -0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.473 1.646 -0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.231 1.526 0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.036 0.352 -0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.451 -0.226 0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.441 -1.361 -0.689 1.00 0.00 H new ATOM 685 N MET A 45 -4.988 -3.195 0.018 1.00 0.00 N ATOM 686 CA MET A 45 -4.820 -4.564 -0.482 1.00 0.00 C ATOM 687 C MET A 45 -6.076 -5.388 -0.204 1.00 0.00 C ATOM 688 O MET A 45 -6.461 -6.242 -1.003 1.00 0.00 O ATOM 689 CB MET A 45 -3.621 -5.262 0.184 1.00 0.00 C ATOM 690 CG MET A 45 -2.367 -4.385 0.088 1.00 0.00 C ATOM 691 SD MET A 45 -1.385 -4.884 -1.346 1.00 0.00 S ATOM 692 CE MET A 45 -2.550 -4.314 -2.605 1.00 0.00 C ATOM 0 H MET A 45 -4.327 -2.924 0.746 1.00 0.00 H new ATOM 0 HA MET A 45 -4.643 -4.497 -1.555 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.848 -5.469 1.230 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.438 -6.222 -0.298 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.650 -3.336 -0.000 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.774 -4.480 0.998 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.015 -4.120 -3.535 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.306 -5.080 -2.775 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.032 -3.397 -2.266 1.00 0.00 H new ATOM 702 N ARG A 46 -6.712 -5.112 0.939 1.00 0.00 N ATOM 703 CA ARG A 46 -7.934 -5.823 1.325 1.00 0.00 C ATOM 704 C ARG A 46 -9.076 -5.504 0.355 1.00 0.00 C ATOM 705 O ARG A 46 -9.883 -6.374 0.023 1.00 0.00 O ATOM 706 CB ARG A 46 -8.362 -5.428 2.743 1.00 0.00 C ATOM 707 CG ARG A 46 -7.808 -6.436 3.752 1.00 0.00 C ATOM 708 CD ARG A 46 -8.821 -7.567 3.958 1.00 0.00 C ATOM 709 NE ARG A 46 -8.828 -8.013 5.353 1.00 0.00 N ATOM 710 CZ ARG A 46 -9.725 -8.902 5.804 1.00 0.00 C ATOM 711 NH1 ARG A 46 -10.630 -9.410 5.000 1.00 0.00 N ATOM 712 NH2 ARG A 46 -9.696 -9.269 7.060 1.00 0.00 N ATOM 0 H ARG A 46 -6.404 -4.407 1.608 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.720 -6.891 1.293 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.998 -4.428 2.977 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.450 -5.395 2.808 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.862 -6.842 3.394 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.603 -5.941 4.701 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.817 -7.225 3.676 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.575 -8.405 3.305 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.133 -7.638 5.998 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.656 -9.129 4.020 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.307 -10.085 5.356 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.994 -8.879 7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.375 -9.945 7.410 1.00 0.00 H new ATOM 726 N MET A 47 -9.130 -4.244 -0.093 1.00 0.00 N ATOM 727 CA MET A 47 -10.174 -3.810 -1.025 1.00 0.00 C ATOM 728 C MET A 47 -9.870 -4.283 -2.450 1.00 0.00 C ATOM 729 O MET A 47 -10.780 -4.645 -3.199 1.00 0.00 O ATOM 730 CB MET A 47 -10.293 -2.282 -1.026 1.00 0.00 C ATOM 731 CG MET A 47 -11.192 -1.831 0.129 1.00 0.00 C ATOM 732 SD MET A 47 -12.911 -2.275 -0.228 1.00 0.00 S ATOM 733 CE MET A 47 -13.225 -1.010 -1.485 1.00 0.00 C ATOM 0 H MET A 47 -8.469 -3.514 0.173 1.00 0.00 H new ATOM 0 HA MET A 47 -11.113 -4.252 -0.693 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.306 -1.831 -0.928 1.00 0.00 H new ATOM 0 HB3 MET A 47 -10.706 -1.941 -1.975 1.00 0.00 H new ATOM 0 HG2 MET A 47 -10.870 -2.301 1.058 1.00 0.00 H new ATOM 0 HG3 MET A 47 -11.106 -0.754 0.270 1.00 0.00 H new ATOM 0 HE1 MET A 47 -13.819 -1.439 -2.292 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.769 -0.179 -1.037 1.00 0.00 H new ATOM 0 HE3 MET A 47 -12.277 -0.650 -1.884 1.00 0.00 H new ATOM 743 N LEU A 48 -8.582 -4.268 -2.817 1.00 0.00 N ATOM 744 CA LEU A 48 -8.165 -4.690 -4.158 1.00 0.00 C ATOM 745 C LEU A 48 -8.491 -6.167 -4.391 1.00 0.00 C ATOM 746 O LEU A 48 -9.258 -6.509 -5.294 1.00 0.00 O ATOM 747 CB LEU A 48 -6.658 -4.475 -4.345 1.00 0.00 C ATOM 748 CG LEU A 48 -6.268 -3.188 -5.078 1.00 0.00 C ATOM 749 CD1 LEU A 48 -4.772 -2.920 -4.882 1.00 0.00 C ATOM 750 CD2 LEU A 48 -6.568 -3.339 -6.572 1.00 0.00 C ATOM 0 H LEU A 48 -7.818 -3.971 -2.210 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.712 -4.084 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.183 -4.473 -3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.252 -5.324 -4.894 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.842 -2.354 -4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.495 -2.004 -5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.558 -2.811 -3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.197 -3.754 -5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.290 -2.423 -7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.995 -4.174 -6.976 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.632 -3.528 -6.712 1.00 0.00 H new ATOM 762 N GLY A 49 -7.899 -7.035 -3.567 1.00 0.00 N ATOM 763 CA GLY A 49 -8.126 -8.478 -3.684 1.00 0.00 C ATOM 764 C GLY A 49 -6.886 -9.265 -3.261 1.00 0.00 C ATOM 765 O GLY A 49 -6.424 -10.153 -3.981 1.00 0.00 O ATOM 0 H GLY A 49 -7.263 -6.767 -2.816 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.974 -8.768 -3.063 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.385 -8.726 -4.713 1.00 0.00 H new ATOM 769 N GLN A 50 -6.355 -8.924 -2.083 1.00 0.00 N ATOM 770 CA GLN A 50 -5.165 -9.591 -1.551 1.00 0.00 C ATOM 771 C GLN A 50 -5.120 -9.456 -0.028 1.00 0.00 C ATOM 772 O GLN A 50 -5.843 -8.646 0.558 1.00 0.00 O ATOM 773 CB GLN A 50 -3.895 -8.975 -2.146 1.00 0.00 C ATOM 774 CG GLN A 50 -3.359 -9.886 -3.253 1.00 0.00 C ATOM 775 CD GLN A 50 -2.591 -9.056 -4.278 1.00 0.00 C ATOM 776 OE1 GLN A 50 -1.706 -8.276 -3.921 1.00 0.00 O ATOM 777 NE2 GLN A 50 -2.876 -9.178 -5.547 1.00 0.00 N ATOM 0 H GLN A 50 -6.730 -8.191 -1.481 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.216 -10.645 -1.823 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.111 -7.985 -2.547 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.141 -8.846 -1.369 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.707 -10.648 -2.826 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.184 -10.408 -3.738 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.608 -9.823 -5.846 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.367 -8.629 -6.239 1.00 0.00 H new ATOM 786 N ASN A 51 -4.261 -10.256 0.608 1.00 0.00 N ATOM 787 CA ASN A 51 -4.133 -10.211 2.064 1.00 0.00 C ATOM 788 C ASN A 51 -2.681 -10.456 2.496 1.00 0.00 C ATOM 789 O ASN A 51 -2.343 -11.526 3.011 1.00 0.00 O ATOM 790 CB ASN A 51 -5.049 -11.257 2.711 1.00 0.00 C ATOM 791 CG ASN A 51 -5.464 -10.785 4.103 1.00 0.00 C ATOM 792 OD1 ASN A 51 -5.033 -11.349 5.109 1.00 0.00 O ATOM 793 ND2 ASN A 51 -6.281 -9.773 4.222 1.00 0.00 N ATOM 0 H ASN A 51 -3.653 -10.932 0.146 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.431 -9.217 2.397 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.932 -11.415 2.091 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.533 -12.214 2.780 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.562 -9.450 5.148 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.638 -9.305 3.389 1.00 0.00 H new ATOM 800 N PRO A 52 -1.810 -9.455 2.299 1.00 0.00 N ATOM 801 CA PRO A 52 -0.388 -9.553 2.683 1.00 0.00 C ATOM 802 C PRO A 52 -0.161 -9.238 4.163 1.00 0.00 C ATOM 803 O PRO A 52 -1.109 -9.147 4.948 1.00 0.00 O ATOM 804 CB PRO A 52 0.256 -8.481 1.807 1.00 0.00 C ATOM 805 CG PRO A 52 -0.835 -7.477 1.461 1.00 0.00 C ATOM 806 CD PRO A 52 -2.187 -8.166 1.683 1.00 0.00 C ATOM 0 HA PRO A 52 0.017 -10.556 2.546 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.076 -7.993 2.334 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.675 -8.922 0.903 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.751 -6.589 2.087 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.738 -7.148 0.426 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.835 -7.581 2.336 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.725 -8.309 0.746 1.00 0.00 H new ATOM 814 N THR A 53 1.108 -9.053 4.525 1.00 0.00 N ATOM 815 CA THR A 53 1.468 -8.724 5.904 1.00 0.00 C ATOM 816 C THR A 53 1.937 -7.268 5.966 1.00 0.00 C ATOM 817 O THR A 53 2.197 -6.653 4.930 1.00 0.00 O ATOM 818 CB THR A 53 2.592 -9.650 6.418 1.00 0.00 C ATOM 819 OG1 THR A 53 3.859 -9.146 6.017 1.00 0.00 O ATOM 820 CG2 THR A 53 2.411 -11.060 5.854 1.00 0.00 C ATOM 0 H THR A 53 1.900 -9.125 3.887 1.00 0.00 H new ATOM 0 HA THR A 53 0.592 -8.865 6.537 1.00 0.00 H new ATOM 0 HB THR A 53 2.542 -9.686 7.506 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.566 -9.738 6.348 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.209 -11.705 6.223 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.447 -11.458 6.171 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.448 -11.024 4.765 1.00 0.00 H new ATOM 828 N PRO A 54 2.065 -6.703 7.171 1.00 0.00 N ATOM 829 CA PRO A 54 2.524 -5.307 7.333 1.00 0.00 C ATOM 830 C PRO A 54 3.998 -5.132 6.972 1.00 0.00 C ATOM 831 O PRO A 54 4.421 -4.056 6.546 1.00 0.00 O ATOM 832 CB PRO A 54 2.272 -5.044 8.812 1.00 0.00 C ATOM 833 CG PRO A 54 2.235 -6.401 9.497 1.00 0.00 C ATOM 834 CD PRO A 54 1.786 -7.411 8.440 1.00 0.00 C ATOM 0 HA PRO A 54 2.007 -4.612 6.672 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.059 -4.419 9.234 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.331 -4.512 8.956 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.217 -6.663 9.891 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.545 -6.391 10.341 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.342 -8.346 8.512 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.729 -7.659 8.541 1.00 0.00 H new ATOM 842 N GLU A 55 4.768 -6.212 7.127 1.00 0.00 N ATOM 843 CA GLU A 55 6.193 -6.190 6.797 1.00 0.00 C ATOM 844 C GLU A 55 6.384 -6.413 5.295 1.00 0.00 C ATOM 845 O GLU A 55 7.291 -5.847 4.682 1.00 0.00 O ATOM 846 CB GLU A 55 6.949 -7.282 7.565 1.00 0.00 C ATOM 847 CG GLU A 55 6.483 -7.314 9.024 1.00 0.00 C ATOM 848 CD GLU A 55 7.416 -8.199 9.845 1.00 0.00 C ATOM 849 OE1 GLU A 55 7.208 -9.402 9.852 1.00 0.00 O ATOM 850 OE2 GLU A 55 8.325 -7.661 10.457 1.00 0.00 O ATOM 0 H GLU A 55 4.430 -7.108 7.477 1.00 0.00 H new ATOM 0 HA GLU A 55 6.591 -5.216 7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.777 -8.252 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.022 -7.093 7.521 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.471 -6.304 9.434 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.463 -7.694 9.081 1.00 0.00 H new ATOM 857 N GLU A 56 5.511 -7.246 4.712 1.00 0.00 N ATOM 858 CA GLU A 56 5.575 -7.546 3.280 1.00 0.00 C ATOM 859 C GLU A 56 5.207 -6.312 2.458 1.00 0.00 C ATOM 860 O GLU A 56 5.992 -5.854 1.626 1.00 0.00 O ATOM 861 CB GLU A 56 4.621 -8.690 2.923 1.00 0.00 C ATOM 862 CG GLU A 56 5.315 -10.033 3.168 1.00 0.00 C ATOM 863 CD GLU A 56 6.046 -10.472 1.900 1.00 0.00 C ATOM 864 OE1 GLU A 56 7.178 -10.054 1.719 1.00 0.00 O ATOM 865 OE2 GLU A 56 5.462 -11.218 1.131 1.00 0.00 O ATOM 0 H GLU A 56 4.757 -7.720 5.209 1.00 0.00 H new ATOM 0 HA GLU A 56 6.597 -7.845 3.047 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.715 -8.622 3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.317 -8.611 1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.021 -9.944 3.994 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.581 -10.786 3.456 1.00 0.00 H new ATOM 872 N LEU A 57 4.002 -5.774 2.704 1.00 0.00 N ATOM 873 CA LEU A 57 3.541 -4.584 1.981 1.00 0.00 C ATOM 874 C LEU A 57 4.492 -3.400 2.199 1.00 0.00 C ATOM 875 O LEU A 57 4.619 -2.537 1.331 1.00 0.00 O ATOM 876 CB LEU A 57 2.133 -4.186 2.435 1.00 0.00 C ATOM 877 CG LEU A 57 1.995 -3.820 3.919 1.00 0.00 C ATOM 878 CD1 LEU A 57 2.221 -2.317 4.108 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.589 -4.186 4.396 1.00 0.00 C ATOM 0 H LEU A 57 3.340 -6.139 3.388 1.00 0.00 H new ATOM 0 HA LEU A 57 3.524 -4.835 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.804 -3.336 1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.454 -5.010 2.218 1.00 0.00 H new ATOM 0 HG LEU A 57 2.738 -4.368 4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.122 -2.064 5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.221 -2.053 3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.481 -1.762 3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.484 -3.929 5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.148 -3.635 3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.428 -5.256 4.266 1.00 0.00 H new ATOM 891 N GLN A 58 5.152 -3.370 3.367 1.00 0.00 N ATOM 892 CA GLN A 58 6.089 -2.286 3.685 1.00 0.00 C ATOM 893 C GLN A 58 7.147 -2.147 2.589 1.00 0.00 C ATOM 894 O GLN A 58 7.402 -1.048 2.094 1.00 0.00 O ATOM 895 CB GLN A 58 6.791 -2.542 5.025 1.00 0.00 C ATOM 896 CG GLN A 58 6.662 -1.306 5.921 1.00 0.00 C ATOM 897 CD GLN A 58 7.333 -0.108 5.250 1.00 0.00 C ATOM 898 OE1 GLN A 58 8.539 0.097 5.394 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.617 0.704 4.519 1.00 0.00 N ATOM 0 H GLN A 58 5.055 -4.075 4.098 1.00 0.00 H new ATOM 0 HA GLN A 58 5.511 -1.364 3.753 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.349 -3.408 5.518 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.843 -2.773 4.857 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.610 -1.088 6.107 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.124 -1.498 6.890 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.618 0.536 4.399 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.057 1.506 4.068 1.00 0.00 H new ATOM 908 N GLU A 59 7.751 -3.279 2.215 1.00 0.00 N ATOM 909 CA GLU A 59 8.777 -3.283 1.169 1.00 0.00 C ATOM 910 C GLU A 59 8.188 -2.835 -0.169 1.00 0.00 C ATOM 911 O GLU A 59 8.834 -2.111 -0.927 1.00 0.00 O ATOM 912 CB GLU A 59 9.373 -4.685 1.003 1.00 0.00 C ATOM 913 CG GLU A 59 10.394 -4.946 2.115 1.00 0.00 C ATOM 914 CD GLU A 59 11.750 -4.371 1.713 1.00 0.00 C ATOM 915 OE1 GLU A 59 11.978 -3.201 1.974 1.00 0.00 O ATOM 916 OE2 GLU A 59 12.542 -5.111 1.151 1.00 0.00 O ATOM 0 H GLU A 59 7.550 -4.195 2.616 1.00 0.00 H new ATOM 0 HA GLU A 59 9.560 -2.587 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.582 -5.434 1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.852 -4.774 0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.057 -4.491 3.046 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.482 -6.017 2.297 1.00 0.00 H new ATOM 923 N MET A 60 6.952 -3.271 -0.444 1.00 0.00 N ATOM 924 CA MET A 60 6.273 -2.910 -1.695 1.00 0.00 C ATOM 925 C MET A 60 6.111 -1.394 -1.799 1.00 0.00 C ATOM 926 O MET A 60 6.353 -0.808 -2.853 1.00 0.00 O ATOM 927 CB MET A 60 4.885 -3.561 -1.770 1.00 0.00 C ATOM 928 CG MET A 60 5.018 -5.081 -1.665 1.00 0.00 C ATOM 929 SD MET A 60 3.422 -5.851 -2.035 1.00 0.00 S ATOM 930 CE MET A 60 3.640 -7.333 -1.019 1.00 0.00 C ATOM 0 H MET A 60 6.406 -3.869 0.176 1.00 0.00 H new ATOM 0 HA MET A 60 6.888 -3.271 -2.520 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.254 -3.186 -0.965 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.398 -3.293 -2.708 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.777 -5.440 -2.360 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.346 -5.360 -0.664 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.755 -7.964 -1.101 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.513 -7.886 -1.365 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.784 -7.043 0.022 1.00 0.00 H new ATOM 940 N ILE A 61 5.694 -0.774 -0.691 1.00 0.00 N ATOM 941 CA ILE A 61 5.491 0.675 -0.648 1.00 0.00 C ATOM 942 C ILE A 61 6.760 1.420 -1.068 1.00 0.00 C ATOM 943 O ILE A 61 6.800 2.043 -2.126 1.00 0.00 O ATOM 944 CB ILE A 61 5.098 1.101 0.767 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.710 0.550 1.091 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.087 2.624 0.870 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.650 0.168 2.567 1.00 0.00 C ATOM 0 H ILE A 61 5.491 -1.253 0.186 1.00 0.00 H new ATOM 0 HA ILE A 61 4.693 0.927 -1.346 1.00 0.00 H new ATOM 0 HB ILE A 61 5.823 0.706 1.478 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.948 1.296 0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.497 -0.320 0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.806 2.918 1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.080 3.011 0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.367 3.031 0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.661 -0.225 2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.402 -0.593 2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.844 1.049 3.179 1.00 0.00 H new ATOM 959 N ASP A 62 7.789 1.352 -0.218 1.00 0.00 N ATOM 960 CA ASP A 62 9.063 2.025 -0.496 1.00 0.00 C ATOM 961 C ASP A 62 9.562 1.712 -1.913 1.00 0.00 C ATOM 962 O ASP A 62 10.131 2.575 -2.584 1.00 0.00 O ATOM 963 CB ASP A 62 10.130 1.588 0.514 1.00 0.00 C ATOM 964 CG ASP A 62 9.749 2.072 1.912 1.00 0.00 C ATOM 965 OD1 ASP A 62 10.050 3.211 2.228 1.00 0.00 O ATOM 966 OD2 ASP A 62 9.161 1.294 2.646 1.00 0.00 O ATOM 0 H ASP A 62 7.766 0.841 0.664 1.00 0.00 H new ATOM 0 HA ASP A 62 8.890 3.098 -0.411 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.226 0.502 0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.101 1.995 0.230 1.00 0.00 H new ATOM 971 N GLU A 63 9.340 0.467 -2.358 1.00 0.00 N ATOM 972 CA GLU A 63 9.769 0.045 -3.696 1.00 0.00 C ATOM 973 C GLU A 63 9.063 0.857 -4.788 1.00 0.00 C ATOM 974 O GLU A 63 9.710 1.389 -5.692 1.00 0.00 O ATOM 975 CB GLU A 63 9.463 -1.441 -3.918 1.00 0.00 C ATOM 976 CG GLU A 63 10.614 -2.297 -3.381 1.00 0.00 C ATOM 977 CD GLU A 63 10.274 -3.776 -3.557 1.00 0.00 C ATOM 978 OE1 GLU A 63 9.659 -4.335 -2.663 1.00 0.00 O ATOM 979 OE2 GLU A 63 10.633 -4.328 -4.584 1.00 0.00 O ATOM 0 H GLU A 63 8.870 -0.258 -1.816 1.00 0.00 H new ATOM 0 HA GLU A 63 10.844 0.216 -3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.534 -1.709 -3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.318 -1.636 -4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.536 -2.059 -3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.786 -2.075 -2.328 1.00 0.00 H new ATOM 986 N VAL A 64 7.731 0.936 -4.699 1.00 0.00 N ATOM 987 CA VAL A 64 6.943 1.674 -5.696 1.00 0.00 C ATOM 988 C VAL A 64 7.051 3.191 -5.501 1.00 0.00 C ATOM 989 O VAL A 64 6.858 3.953 -6.450 1.00 0.00 O ATOM 990 CB VAL A 64 5.459 1.274 -5.641 1.00 0.00 C ATOM 991 CG1 VAL A 64 5.321 -0.245 -5.785 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.845 1.722 -4.309 1.00 0.00 C ATOM 0 H VAL A 64 7.180 0.504 -3.957 1.00 0.00 H new ATOM 0 HA VAL A 64 7.357 1.411 -6.669 1.00 0.00 H new ATOM 0 HB VAL A 64 4.932 1.762 -6.461 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.267 -0.520 -5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.742 -0.560 -6.740 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.856 -0.738 -4.973 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.794 1.435 -4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.376 1.245 -3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.928 2.805 -4.216 1.00 0.00 H new ATOM 1002 N ASP A 65 7.347 3.625 -4.268 1.00 0.00 N ATOM 1003 CA ASP A 65 7.462 5.054 -3.982 1.00 0.00 C ATOM 1004 C ASP A 65 8.726 5.613 -4.640 1.00 0.00 C ATOM 1005 O ASP A 65 9.800 5.657 -4.036 1.00 0.00 O ATOM 1006 CB ASP A 65 7.503 5.306 -2.468 1.00 0.00 C ATOM 1007 CG ASP A 65 6.645 6.526 -2.123 1.00 0.00 C ATOM 1008 OD1 ASP A 65 6.944 7.600 -2.616 1.00 0.00 O ATOM 1009 OD2 ASP A 65 5.696 6.364 -1.374 1.00 0.00 O ATOM 0 H ASP A 65 7.508 3.015 -3.467 1.00 0.00 H new ATOM 0 HA ASP A 65 6.587 5.561 -4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.137 4.429 -1.934 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.531 5.470 -2.145 1.00 0.00 H new ATOM 1014 N GLU A 66 8.575 6.018 -5.904 1.00 0.00 N ATOM 1015 CA GLU A 66 9.695 6.557 -6.685 1.00 0.00 C ATOM 1016 C GLU A 66 10.271 7.829 -6.057 1.00 0.00 C ATOM 1017 O GLU A 66 11.491 7.999 -5.993 1.00 0.00 O ATOM 1018 CB GLU A 66 9.245 6.874 -8.115 1.00 0.00 C ATOM 1019 CG GLU A 66 9.121 5.573 -8.918 1.00 0.00 C ATOM 1020 CD GLU A 66 7.848 5.610 -9.759 1.00 0.00 C ATOM 1021 OE1 GLU A 66 6.816 5.197 -9.254 1.00 0.00 O ATOM 1022 OE2 GLU A 66 7.923 6.050 -10.896 1.00 0.00 O ATOM 0 H GLU A 66 7.690 5.983 -6.409 1.00 0.00 H new ATOM 0 HA GLU A 66 10.471 5.792 -6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.288 7.395 -8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.963 7.541 -8.593 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.991 5.447 -9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.098 4.718 -8.243 1.00 0.00 H new ATOM 1029 N ASP A 67 9.387 8.720 -5.603 1.00 0.00 N ATOM 1030 CA ASP A 67 9.833 9.979 -4.991 1.00 0.00 C ATOM 1031 C ASP A 67 10.226 9.774 -3.525 1.00 0.00 C ATOM 1032 O ASP A 67 11.154 10.416 -3.030 1.00 0.00 O ATOM 1033 CB ASP A 67 8.740 11.062 -5.077 1.00 0.00 C ATOM 1034 CG ASP A 67 7.380 10.490 -4.674 1.00 0.00 C ATOM 1035 OD1 ASP A 67 7.102 10.455 -3.490 1.00 0.00 O ATOM 1036 OD2 ASP A 67 6.637 10.101 -5.558 1.00 0.00 O ATOM 0 H ASP A 67 8.375 8.600 -5.645 1.00 0.00 H new ATOM 0 HA ASP A 67 10.707 10.312 -5.551 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.996 11.897 -4.425 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.689 11.454 -6.093 1.00 0.00 H new ATOM 1041 N GLY A 68 9.510 8.881 -2.833 1.00 0.00 N ATOM 1042 CA GLY A 68 9.791 8.611 -1.424 1.00 0.00 C ATOM 1043 C GLY A 68 9.360 9.792 -0.560 1.00 0.00 C ATOM 1044 O GLY A 68 10.151 10.330 0.217 1.00 0.00 O ATOM 0 H GLY A 68 8.739 8.339 -3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.265 7.710 -1.108 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.856 8.423 -1.289 1.00 0.00 H new ATOM 1048 N SER A 69 8.097 10.195 -0.720 1.00 0.00 N ATOM 1049 CA SER A 69 7.558 11.325 0.034 1.00 0.00 C ATOM 1050 C SER A 69 6.947 10.863 1.358 1.00 0.00 C ATOM 1051 O SER A 69 7.233 11.425 2.417 1.00 0.00 O ATOM 1052 CB SER A 69 6.482 12.048 -0.785 1.00 0.00 C ATOM 1053 OG SER A 69 5.519 11.105 -1.245 1.00 0.00 O ATOM 0 H SER A 69 7.434 9.758 -1.360 1.00 0.00 H new ATOM 0 HA SER A 69 8.384 12.006 0.242 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.997 12.810 -0.175 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.938 12.560 -1.632 1.00 0.00 H new ATOM 0 HG SER A 69 5.834 10.695 -2.077 1.00 0.00 H new ATOM 1059 N GLY A 70 6.093 9.842 1.279 1.00 0.00 N ATOM 1060 CA GLY A 70 5.423 9.308 2.464 1.00 0.00 C ATOM 1061 C GLY A 70 4.050 8.748 2.092 1.00 0.00 C ATOM 1062 O GLY A 70 3.540 7.837 2.746 1.00 0.00 O ATOM 0 H GLY A 70 5.850 9.369 0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.033 8.524 2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.312 10.093 3.212 1.00 0.00 H new ATOM 1066 N THR A 71 3.459 9.308 1.030 1.00 0.00 N ATOM 1067 CA THR A 71 2.149 8.866 0.564 1.00 0.00 C ATOM 1068 C THR A 71 2.287 8.113 -0.758 1.00 0.00 C ATOM 1069 O THR A 71 3.198 8.380 -1.549 1.00 0.00 O ATOM 1070 CB THR A 71 1.216 10.065 0.364 1.00 0.00 C ATOM 1071 OG1 THR A 71 1.729 10.903 -0.666 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.117 10.859 1.668 1.00 0.00 C ATOM 0 H THR A 71 3.869 10.065 0.482 1.00 0.00 H new ATOM 0 HA THR A 71 1.725 8.204 1.319 1.00 0.00 H new ATOM 0 HB THR A 71 0.226 9.709 0.080 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.130 11.668 -0.794 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.453 11.712 1.525 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.720 10.218 2.455 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.107 11.214 1.954 1.00 0.00 H new ATOM 1080 N VAL A 72 1.371 7.172 -0.992 1.00 0.00 N ATOM 1081 CA VAL A 72 1.399 6.389 -2.227 1.00 0.00 C ATOM 1082 C VAL A 72 0.513 7.041 -3.286 1.00 0.00 C ATOM 1083 O VAL A 72 -0.685 7.242 -3.075 1.00 0.00 O ATOM 1084 CB VAL A 72 0.913 4.954 -1.981 1.00 0.00 C ATOM 1085 CG1 VAL A 72 1.161 4.109 -3.234 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.674 4.346 -0.799 1.00 0.00 C ATOM 0 H VAL A 72 0.612 6.936 -0.353 1.00 0.00 H new ATOM 0 HA VAL A 72 2.431 6.358 -2.577 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.153 4.969 -1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.816 3.090 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.617 4.537 -4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.227 4.097 -3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.326 3.327 -0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.741 4.332 -1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.497 4.945 0.094 1.00 0.00 H new ATOM 1096 N ASP A 73 1.120 7.358 -4.430 1.00 0.00 N ATOM 1097 CA ASP A 73 0.386 7.983 -5.532 1.00 0.00 C ATOM 1098 C ASP A 73 -0.298 6.905 -6.370 1.00 0.00 C ATOM 1099 O ASP A 73 -0.074 5.714 -6.164 1.00 0.00 O ATOM 1100 CB ASP A 73 1.338 8.786 -6.430 1.00 0.00 C ATOM 1101 CG ASP A 73 2.142 9.778 -5.589 1.00 0.00 C ATOM 1102 OD1 ASP A 73 1.677 10.892 -5.417 1.00 0.00 O ATOM 1103 OD2 ASP A 73 3.214 9.411 -5.134 1.00 0.00 O ATOM 0 H ASP A 73 2.109 7.194 -4.618 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.359 8.658 -5.110 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.014 8.110 -6.953 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.769 9.320 -7.191 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.136 7.331 -7.317 1.00 0.00 N ATOM 1109 CA PHE A 74 -1.845 6.378 -8.178 1.00 0.00 C ATOM 1110 C PHE A 74 -0.851 5.560 -9.010 1.00 0.00 C ATOM 1111 O PHE A 74 -1.060 4.368 -9.239 1.00 0.00 O ATOM 1112 CB PHE A 74 -2.820 7.106 -9.113 1.00 0.00 C ATOM 1113 CG PHE A 74 -3.842 6.131 -9.663 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.400 5.144 -8.835 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.232 6.217 -11.004 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.343 4.248 -9.351 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.177 5.319 -11.519 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.731 4.335 -10.692 1.00 0.00 C ATOM 0 H PHE A 74 -1.339 8.312 -7.507 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.411 5.705 -7.534 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.324 7.907 -8.573 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.272 7.571 -9.932 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.101 5.076 -7.799 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.805 6.976 -11.643 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.771 3.489 -8.713 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.478 5.386 -12.554 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.458 3.643 -11.089 1.00 0.00 H new ATOM 1128 N ASP A 75 0.240 6.206 -9.439 1.00 0.00 N ATOM 1129 CA ASP A 75 1.269 5.519 -10.226 1.00 0.00 C ATOM 1130 C ASP A 75 1.980 4.472 -9.368 1.00 0.00 C ATOM 1131 O ASP A 75 2.290 3.378 -9.839 1.00 0.00 O ATOM 1132 CB ASP A 75 2.303 6.518 -10.757 1.00 0.00 C ATOM 1133 CG ASP A 75 1.919 6.954 -12.169 1.00 0.00 C ATOM 1134 OD1 ASP A 75 1.094 7.846 -12.288 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.457 6.391 -13.109 1.00 0.00 O ATOM 0 H ASP A 75 0.431 7.191 -9.257 1.00 0.00 H new ATOM 0 HA ASP A 75 0.778 5.031 -11.068 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.355 7.386 -10.100 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.293 6.063 -10.763 1.00 0.00 H new ATOM 1140 N GLU A 76 2.217 4.821 -8.099 1.00 0.00 N ATOM 1141 CA GLU A 76 2.877 3.906 -7.157 1.00 0.00 C ATOM 1142 C GLU A 76 1.877 2.865 -6.630 1.00 0.00 C ATOM 1143 O GLU A 76 2.263 1.802 -6.142 1.00 0.00 O ATOM 1144 CB GLU A 76 3.457 4.679 -5.962 1.00 0.00 C ATOM 1145 CG GLU A 76 4.062 6.010 -6.435 1.00 0.00 C ATOM 1146 CD GLU A 76 4.716 6.748 -5.263 1.00 0.00 C ATOM 1147 OE1 GLU A 76 4.192 6.679 -4.162 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.730 7.385 -5.489 1.00 0.00 O ATOM 0 H GLU A 76 1.964 5.725 -7.700 1.00 0.00 H new ATOM 0 HA GLU A 76 3.684 3.406 -7.693 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.675 4.868 -5.227 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.221 4.079 -5.468 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.802 5.824 -7.214 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.284 6.633 -6.877 1.00 0.00 H new ATOM 1155 N PHE A 77 0.589 3.202 -6.730 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.489 2.327 -6.266 1.00 0.00 C ATOM 1157 C PHE A 77 -0.734 1.176 -7.251 1.00 0.00 C ATOM 1158 O PHE A 77 -1.026 0.051 -6.843 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.775 3.155 -6.110 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.907 2.296 -5.604 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.967 1.941 -4.250 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.904 1.864 -6.487 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -4.022 1.152 -3.783 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.959 1.076 -6.017 1.00 0.00 C ATOM 1165 CZ PHE A 77 -5.018 0.718 -4.665 1.00 0.00 C ATOM 0 H PHE A 77 0.266 4.082 -7.132 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.199 1.895 -5.308 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.601 3.979 -5.418 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.048 3.596 -7.069 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.199 2.276 -3.568 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.858 2.139 -7.530 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.069 0.877 -2.740 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.729 0.743 -6.697 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.832 0.107 -4.303 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.626 1.475 -8.550 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.850 0.462 -9.589 1.00 0.00 C ATOM 1177 C LEU A 78 0.380 -0.425 -9.793 1.00 0.00 C ATOM 1178 O LEU A 78 0.249 -1.633 -10.009 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.206 1.138 -10.912 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.583 1.811 -10.943 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.463 3.202 -11.568 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.550 0.961 -11.770 1.00 0.00 C ATOM 0 H LEU A 78 -0.387 2.401 -8.906 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.675 -0.168 -9.256 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.447 1.887 -11.136 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.164 0.393 -11.707 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.961 1.904 -9.925 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.444 3.678 -11.588 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.778 3.809 -10.976 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.082 3.112 -12.585 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.529 1.440 -11.791 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.171 0.864 -12.787 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.640 -0.028 -11.321 1.00 0.00 H new ATOM 1194 N VAL A 79 1.574 0.176 -9.720 1.00 0.00 N ATOM 1195 CA VAL A 79 2.819 -0.586 -9.898 1.00 0.00 C ATOM 1196 C VAL A 79 2.947 -1.681 -8.836 1.00 0.00 C ATOM 1197 O VAL A 79 3.619 -2.685 -9.050 1.00 0.00 O ATOM 1198 CB VAL A 79 4.055 0.318 -9.815 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.123 1.218 -11.051 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.993 1.182 -8.553 1.00 0.00 C ATOM 0 H VAL A 79 1.706 1.172 -9.542 1.00 0.00 H new ATOM 0 HA VAL A 79 2.770 -1.034 -10.890 1.00 0.00 H new ATOM 0 HB VAL A 79 4.946 -0.308 -9.774 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.003 1.858 -10.987 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.188 0.601 -11.947 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.227 1.837 -11.100 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.876 1.820 -8.505 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.098 1.803 -8.581 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.961 0.539 -7.673 1.00 0.00 H new ATOM 1210 N MET A 80 2.293 -1.465 -7.690 1.00 0.00 N ATOM 1211 CA MET A 80 2.316 -2.425 -6.578 1.00 0.00 C ATOM 1212 C MET A 80 2.119 -3.869 -7.059 1.00 0.00 C ATOM 1213 O MET A 80 2.665 -4.805 -6.472 1.00 0.00 O ATOM 1214 CB MET A 80 1.202 -2.092 -5.585 1.00 0.00 C ATOM 1215 CG MET A 80 1.706 -1.062 -4.571 1.00 0.00 C ATOM 1216 SD MET A 80 0.839 -1.292 -3.000 1.00 0.00 S ATOM 1217 CE MET A 80 -0.726 -0.522 -3.481 1.00 0.00 C ATOM 0 H MET A 80 1.738 -0.629 -7.506 1.00 0.00 H new ATOM 0 HA MET A 80 3.295 -2.347 -6.106 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.334 -1.700 -6.115 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.879 -2.996 -5.069 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.780 -1.174 -4.426 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.538 -0.053 -4.947 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.490 -0.756 -2.739 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.597 0.559 -3.540 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.036 -0.904 -4.454 1.00 0.00 H new ATOM 1227 N MET A 81 1.323 -4.042 -8.120 1.00 0.00 N ATOM 1228 CA MET A 81 1.057 -5.381 -8.655 1.00 0.00 C ATOM 1229 C MET A 81 2.215 -5.880 -9.529 1.00 0.00 C ATOM 1230 O MET A 81 2.676 -7.013 -9.372 1.00 0.00 O ATOM 1231 CB MET A 81 -0.230 -5.373 -9.485 1.00 0.00 C ATOM 1232 CG MET A 81 -1.440 -5.540 -8.558 1.00 0.00 C ATOM 1233 SD MET A 81 -2.300 -7.084 -8.953 1.00 0.00 S ATOM 1234 CE MET A 81 -2.709 -6.697 -10.675 1.00 0.00 C ATOM 0 H MET A 81 0.858 -3.284 -8.619 1.00 0.00 H new ATOM 0 HA MET A 81 0.948 -6.056 -7.806 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.311 -4.439 -10.041 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.207 -6.179 -10.218 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.115 -5.549 -7.518 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.118 -4.695 -8.673 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.662 -7.158 -10.935 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.783 -5.616 -10.797 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.928 -7.083 -11.330 1.00 0.00 H new ATOM 1244 N VAL A 82 2.666 -5.034 -10.462 1.00 0.00 N ATOM 1245 CA VAL A 82 3.760 -5.409 -11.375 1.00 0.00 C ATOM 1246 C VAL A 82 5.119 -5.474 -10.664 1.00 0.00 C ATOM 1247 O VAL A 82 5.993 -6.243 -11.070 1.00 0.00 O ATOM 1248 CB VAL A 82 3.865 -4.424 -12.548 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.643 -4.573 -13.455 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.931 -2.988 -12.019 1.00 0.00 C ATOM 0 H VAL A 82 2.297 -4.094 -10.607 1.00 0.00 H new ATOM 0 HA VAL A 82 3.514 -6.404 -11.746 1.00 0.00 H new ATOM 0 HB VAL A 82 4.770 -4.642 -13.115 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.720 -3.873 -14.287 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.598 -5.591 -13.841 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.739 -4.361 -12.885 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.005 -2.295 -12.857 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.030 -2.770 -11.446 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.805 -2.877 -11.377 1.00 0.00 H new ATOM 1260 N ARG A 83 5.296 -4.666 -9.610 1.00 0.00 N ATOM 1261 CA ARG A 83 6.566 -4.656 -8.867 1.00 0.00 C ATOM 1262 C ARG A 83 6.864 -6.036 -8.267 1.00 0.00 C ATOM 1263 O ARG A 83 8.025 -6.378 -8.029 1.00 0.00 O ATOM 1264 CB ARG A 83 6.545 -3.603 -7.748 1.00 0.00 C ATOM 1265 CG ARG A 83 5.492 -3.969 -6.694 1.00 0.00 C ATOM 1266 CD ARG A 83 6.167 -4.652 -5.500 1.00 0.00 C ATOM 1267 NE ARG A 83 5.403 -5.830 -5.077 1.00 0.00 N ATOM 1268 CZ ARG A 83 5.967 -6.826 -4.378 1.00 0.00 C ATOM 1269 NH1 ARG A 83 7.233 -6.775 -4.035 1.00 0.00 N ATOM 1270 NH2 ARG A 83 5.242 -7.858 -4.028 1.00 0.00 N ATOM 0 H ARG A 83 4.590 -4.021 -9.256 1.00 0.00 H new ATOM 0 HA ARG A 83 7.354 -4.401 -9.576 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.528 -3.537 -7.282 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.324 -2.621 -8.167 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.969 -3.072 -6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.744 -4.632 -7.129 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.181 -4.947 -5.769 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.249 -3.949 -4.671 1.00 0.00 H new ATOM 0 HE ARG A 83 4.415 -5.894 -5.321 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.801 -5.970 -4.300 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.649 -7.540 -3.503 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.256 -7.900 -4.287 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.663 -8.620 -3.496 1.00 0.00 H new ATOM 1284 N CYS A 84 5.807 -6.828 -8.041 1.00 0.00 N ATOM 1285 CA CYS A 84 5.972 -8.173 -7.487 1.00 0.00 C ATOM 1286 C CYS A 84 6.684 -9.073 -8.499 1.00 0.00 C ATOM 1287 O CYS A 84 7.511 -9.908 -8.131 1.00 0.00 O ATOM 1288 CB CYS A 84 4.610 -8.785 -7.142 1.00 0.00 C ATOM 1289 SG CYS A 84 4.849 -10.313 -6.202 1.00 0.00 S ATOM 0 H CYS A 84 4.841 -6.562 -8.231 1.00 0.00 H new ATOM 0 HA CYS A 84 6.570 -8.096 -6.579 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.019 -8.077 -6.560 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.052 -8.992 -8.055 1.00 0.00 H new ATOM 0 HG CYS A 84 3.692 -10.828 -5.909 1.00 0.00 H new