USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 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 60 MET CE :methyl -177:sc= 0 (180deg=0) USER MOD Set 1.2: A 84 CYS SG : rot 77:sc= 0.785 USER MOD Set 2.1: A 45 MET CE :methyl 156:sc= -3.21! (180deg=-5.51!) USER MOD Set 2.2: A 50 GLN : amide:sc= -0.0374 X(o=-3.2,f=-3.5) USER MOD Set 2.3: A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 35 CYS SG : rot -132:sc= 1.04 USER MOD Set 3.2: A 69 SER OG : rot -82:sc= 0.806 USER MOD Set 3.3: A 71 THR OG1 : rot 148:sc= 1.39 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= -0.0726 X(o=-0.073,f=-0.073) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 16 GLN : amide:sc= -1.55 K(o=-1.5,f=-3.6) USER MOD Single : A 17 LYS NZ :NH3+ -176:sc= -0.147 (180deg=-0.158) USER MOD Single : A 18 ASN : amide:sc= 0.108 X(o=0.11,f=-0.042) 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 37 SER OG : rot 120:sc= -0.641 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0141 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 -158:sc= -0.0593 (180deg=-1.38) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.822 USER MOD Single : A 58 GLN : amide:sc= -0.886 X(o=-0.89,f=-0.46) USER MOD Single : A 80 MET CE :methyl -168:sc= -3.78 (180deg=-5.03!) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 8.897 -3.665 -17.660 1.00 0.00 N ATOM 47 CA ILE A 4 7.868 -4.541 -17.084 1.00 0.00 C ATOM 48 C ILE A 4 6.488 -3.881 -17.182 1.00 0.00 C ATOM 49 O ILE A 4 5.468 -4.565 -17.234 1.00 0.00 O ATOM 50 CB ILE A 4 8.172 -4.888 -15.610 1.00 0.00 C ATOM 51 CG1 ILE A 4 7.809 -3.707 -14.683 1.00 0.00 C ATOM 52 CG2 ILE A 4 9.654 -5.249 -15.448 1.00 0.00 C ATOM 53 CD1 ILE A 4 8.866 -2.598 -14.766 1.00 0.00 C ATOM 0 HA ILE A 4 7.871 -5.467 -17.659 1.00 0.00 H new ATOM 0 HB ILE A 4 7.563 -5.747 -15.327 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.834 -3.307 -14.962 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.726 -4.059 -13.655 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.857 -5.492 -14.405 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.889 -6.110 -16.074 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.270 -4.402 -15.750 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.586 -1.779 -14.104 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.835 -2.995 -14.463 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.929 -2.231 -15.791 1.00 0.00 H new ATOM 65 N TYR A 5 6.474 -2.542 -17.212 1.00 0.00 N ATOM 66 CA TYR A 5 5.220 -1.789 -17.314 1.00 0.00 C ATOM 67 C TYR A 5 4.601 -1.970 -18.699 1.00 0.00 C ATOM 68 O TYR A 5 3.380 -1.997 -18.850 1.00 0.00 O ATOM 69 CB TYR A 5 5.466 -0.294 -17.075 1.00 0.00 C ATOM 70 CG TYR A 5 6.240 -0.099 -15.790 1.00 0.00 C ATOM 71 CD1 TYR A 5 5.719 -0.575 -14.582 1.00 0.00 C ATOM 72 CD2 TYR A 5 7.477 0.555 -15.809 1.00 0.00 C ATOM 73 CE1 TYR A 5 6.436 -0.397 -13.392 1.00 0.00 C ATOM 74 CE2 TYR A 5 8.193 0.733 -14.621 1.00 0.00 C ATOM 75 CZ TYR A 5 7.673 0.257 -13.412 1.00 0.00 C ATOM 76 OH TYR A 5 8.380 0.432 -12.239 1.00 0.00 O ATOM 0 H TYR A 5 7.312 -1.962 -17.167 1.00 0.00 H new ATOM 0 HA TYR A 5 4.539 -2.171 -16.554 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.021 0.131 -17.912 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.515 0.236 -17.021 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.764 -1.080 -14.567 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.879 0.922 -16.742 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.034 -0.764 -12.459 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.148 1.238 -14.637 1.00 0.00 H new ATOM 0 HH TYR A 5 9.218 0.903 -12.429 1.00 0.00 H new ATOM 86 N LYS A 6 5.468 -2.101 -19.707 1.00 0.00 N ATOM 87 CA LYS A 6 5.014 -2.287 -21.091 1.00 0.00 C ATOM 88 C LYS A 6 4.587 -3.734 -21.313 1.00 0.00 C ATOM 89 O LYS A 6 3.636 -4.010 -22.045 1.00 0.00 O ATOM 90 CB LYS A 6 6.131 -1.935 -22.086 1.00 0.00 C ATOM 91 CG LYS A 6 6.855 -0.655 -21.643 1.00 0.00 C ATOM 92 CD LYS A 6 5.831 0.418 -21.256 1.00 0.00 C ATOM 93 CE LYS A 6 6.520 1.517 -20.442 1.00 0.00 C ATOM 94 NZ LYS A 6 7.255 2.436 -21.358 1.00 0.00 N ATOM 0 H LYS A 6 6.482 -2.082 -19.594 1.00 0.00 H new ATOM 0 HA LYS A 6 4.167 -1.622 -21.259 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.842 -2.759 -22.152 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.710 -1.797 -23.082 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.507 -0.870 -20.796 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.491 -0.289 -22.449 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.380 0.844 -22.152 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.024 -0.028 -20.674 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.781 2.075 -19.868 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.211 1.073 -19.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.721 3.181 -20.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.971 1.899 -21.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.585 2.870 -22.025 1.00 0.00 H new ATOM 108 N ALA A 7 5.301 -4.651 -20.662 1.00 0.00 N ATOM 109 CA ALA A 7 4.992 -6.076 -20.772 1.00 0.00 C ATOM 110 C ALA A 7 3.751 -6.426 -19.942 1.00 0.00 C ATOM 111 O ALA A 7 3.018 -7.361 -20.271 1.00 0.00 O ATOM 112 CB ALA A 7 6.173 -6.918 -20.283 1.00 0.00 C ATOM 0 H ALA A 7 6.093 -4.435 -20.056 1.00 0.00 H new ATOM 0 HA ALA A 7 4.797 -6.296 -21.822 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.927 -7.976 -20.371 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.052 -6.698 -20.889 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.382 -6.680 -19.240 1.00 0.00 H new ATOM 118 N ALA A 8 3.525 -5.665 -18.862 1.00 0.00 N ATOM 119 CA ALA A 8 2.377 -5.903 -17.989 1.00 0.00 C ATOM 120 C ALA A 8 1.124 -5.179 -18.492 1.00 0.00 C ATOM 121 O ALA A 8 0.007 -5.623 -18.225 1.00 0.00 O ATOM 122 CB ALA A 8 2.683 -5.431 -16.567 1.00 0.00 C ATOM 0 H ALA A 8 4.119 -4.886 -18.577 1.00 0.00 H new ATOM 0 HA ALA A 8 2.186 -6.976 -17.994 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.819 -5.615 -15.929 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.543 -5.977 -16.180 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.906 -4.364 -16.578 1.00 0.00 H new ATOM 128 N VAL A 9 1.310 -4.060 -19.212 1.00 0.00 N ATOM 129 CA VAL A 9 0.166 -3.290 -19.728 1.00 0.00 C ATOM 130 C VAL A 9 -0.772 -4.171 -20.570 1.00 0.00 C ATOM 131 O VAL A 9 -1.989 -3.980 -20.557 1.00 0.00 O ATOM 132 CB VAL A 9 0.646 -2.088 -20.562 1.00 0.00 C ATOM 133 CG1 VAL A 9 1.073 -2.540 -21.962 1.00 0.00 C ATOM 134 CG2 VAL A 9 -0.492 -1.069 -20.685 1.00 0.00 C ATOM 0 H VAL A 9 2.224 -3.674 -19.447 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.392 -2.923 -18.867 1.00 0.00 H new ATOM 0 HB VAL A 9 1.502 -1.635 -20.062 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.409 -1.677 -22.536 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.887 -3.260 -21.879 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.227 -3.005 -22.468 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.155 -0.217 -21.275 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.346 -1.535 -21.176 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.785 -0.729 -19.692 1.00 0.00 H new ATOM 144 N GLU A 10 -0.195 -5.138 -21.292 1.00 0.00 N ATOM 145 CA GLU A 10 -0.990 -6.045 -22.126 1.00 0.00 C ATOM 146 C GLU A 10 -1.711 -7.094 -21.270 1.00 0.00 C ATOM 147 O GLU A 10 -2.695 -7.693 -21.707 1.00 0.00 O ATOM 148 CB GLU A 10 -0.097 -6.764 -23.143 1.00 0.00 C ATOM 149 CG GLU A 10 0.460 -5.748 -24.146 1.00 0.00 C ATOM 150 CD GLU A 10 0.721 -6.438 -25.483 1.00 0.00 C ATOM 151 OE1 GLU A 10 1.816 -6.944 -25.661 1.00 0.00 O ATOM 152 OE2 GLU A 10 -0.178 -6.448 -26.307 1.00 0.00 O ATOM 0 H GLU A 10 0.810 -5.312 -21.316 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.731 -5.441 -22.650 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.721 -7.270 -22.630 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.668 -7.531 -23.666 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.247 -4.929 -24.280 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.383 -5.313 -23.763 1.00 0.00 H new ATOM 159 N GLN A 11 -1.208 -7.313 -20.049 1.00 0.00 N ATOM 160 CA GLN A 11 -1.805 -8.294 -19.140 1.00 0.00 C ATOM 161 C GLN A 11 -2.910 -7.658 -18.296 1.00 0.00 C ATOM 162 O GLN A 11 -3.957 -8.267 -18.067 1.00 0.00 O ATOM 163 CB GLN A 11 -0.742 -8.881 -18.204 1.00 0.00 C ATOM 164 CG GLN A 11 0.430 -9.437 -19.023 1.00 0.00 C ATOM 165 CD GLN A 11 -0.043 -10.617 -19.870 1.00 0.00 C ATOM 166 OE1 GLN A 11 -0.258 -11.713 -19.352 1.00 0.00 O ATOM 167 NE2 GLN A 11 -0.218 -10.458 -21.155 1.00 0.00 N ATOM 0 H GLN A 11 -0.395 -6.827 -19.671 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.232 -9.088 -19.752 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.385 -8.112 -17.519 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.179 -9.673 -17.595 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.839 -8.657 -19.666 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.233 -9.754 -18.357 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.040 -9.551 -21.585 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.532 -11.241 -21.728 1.00 0.00 H new ATOM 176 N LEU A 12 -2.662 -6.430 -17.829 1.00 0.00 N ATOM 177 CA LEU A 12 -3.636 -5.719 -17.002 1.00 0.00 C ATOM 178 C LEU A 12 -4.906 -5.418 -17.793 1.00 0.00 C ATOM 179 O LEU A 12 -4.859 -5.136 -18.993 1.00 0.00 O ATOM 180 CB LEU A 12 -3.047 -4.403 -16.489 1.00 0.00 C ATOM 181 CG LEU A 12 -1.762 -4.544 -15.665 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.695 -3.605 -16.224 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.049 -4.184 -14.207 1.00 0.00 C ATOM 0 H LEU A 12 -1.801 -5.913 -18.009 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.883 -6.363 -16.158 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.844 -3.756 -17.343 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.798 -3.900 -15.880 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.405 -5.572 -15.720 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.219 -3.704 -15.639 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.491 -3.864 -17.263 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.051 -2.576 -16.169 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.135 -4.284 -13.621 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.406 -3.156 -14.150 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.810 -4.855 -13.810 1.00 0.00 H new ATOM 195 N THR A 13 -6.041 -5.487 -17.099 1.00 0.00 N ATOM 196 CA THR A 13 -7.338 -5.227 -17.725 1.00 0.00 C ATOM 197 C THR A 13 -7.897 -3.883 -17.270 1.00 0.00 C ATOM 198 O THR A 13 -7.423 -3.289 -16.299 1.00 0.00 O ATOM 199 CB THR A 13 -8.350 -6.326 -17.364 1.00 0.00 C ATOM 200 OG1 THR A 13 -8.022 -6.889 -16.099 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.325 -7.417 -18.434 1.00 0.00 C ATOM 0 H THR A 13 -6.090 -5.720 -16.107 1.00 0.00 H new ATOM 0 HA THR A 13 -7.182 -5.214 -18.804 1.00 0.00 H new ATOM 0 HB THR A 13 -9.348 -5.891 -17.313 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.671 -7.587 -15.874 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.043 -8.196 -18.177 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.588 -6.986 -19.400 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.326 -7.849 -18.490 1.00 0.00 H new ATOM 209 N ASP A 14 -8.927 -3.418 -17.978 1.00 0.00 N ATOM 210 CA ASP A 14 -9.572 -2.148 -17.639 1.00 0.00 C ATOM 211 C ASP A 14 -10.240 -2.243 -16.265 1.00 0.00 C ATOM 212 O ASP A 14 -10.318 -1.256 -15.534 1.00 0.00 O ATOM 213 CB ASP A 14 -10.631 -1.788 -18.684 1.00 0.00 C ATOM 214 CG ASP A 14 -9.947 -1.436 -20.004 1.00 0.00 C ATOM 215 OD1 ASP A 14 -9.524 -0.300 -20.146 1.00 0.00 O ATOM 216 OD2 ASP A 14 -9.857 -2.308 -20.852 1.00 0.00 O ATOM 0 H ASP A 14 -9.330 -3.897 -18.783 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.805 -1.374 -17.620 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.314 -2.625 -18.828 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.229 -0.945 -18.336 1.00 0.00 H new ATOM 221 N GLU A 15 -10.716 -3.447 -15.926 1.00 0.00 N ATOM 222 CA GLU A 15 -11.374 -3.675 -14.638 1.00 0.00 C ATOM 223 C GLU A 15 -10.397 -3.479 -13.477 1.00 0.00 C ATOM 224 O GLU A 15 -10.747 -2.874 -12.465 1.00 0.00 O ATOM 225 CB GLU A 15 -11.951 -5.093 -14.567 1.00 0.00 C ATOM 226 CG GLU A 15 -13.430 -5.070 -14.966 1.00 0.00 C ATOM 227 CD GLU A 15 -14.253 -4.411 -13.861 1.00 0.00 C ATOM 228 OE1 GLU A 15 -14.540 -5.081 -12.882 1.00 0.00 O ATOM 229 OE2 GLU A 15 -14.584 -3.246 -14.008 1.00 0.00 O ATOM 0 H GLU A 15 -10.658 -4.272 -16.523 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.181 -2.947 -14.553 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.396 -5.755 -15.231 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.843 -5.490 -13.558 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.556 -4.524 -15.901 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.785 -6.086 -15.140 1.00 0.00 H new ATOM 236 N GLN A 16 -9.168 -3.995 -13.630 1.00 0.00 N ATOM 237 CA GLN A 16 -8.158 -3.859 -12.574 1.00 0.00 C ATOM 238 C GLN A 16 -7.856 -2.380 -12.302 1.00 0.00 C ATOM 239 O GLN A 16 -7.615 -1.989 -11.159 1.00 0.00 O ATOM 240 CB GLN A 16 -6.866 -4.623 -12.938 1.00 0.00 C ATOM 241 CG GLN A 16 -5.879 -3.733 -13.712 1.00 0.00 C ATOM 242 CD GLN A 16 -4.909 -3.064 -12.739 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.842 -1.837 -12.665 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.144 -3.803 -11.979 1.00 0.00 N ATOM 0 H GLN A 16 -8.855 -4.501 -14.459 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.562 -4.300 -11.663 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.390 -4.988 -12.028 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.117 -5.497 -13.539 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.326 -4.332 -14.436 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.424 -2.975 -14.275 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.197 -4.820 -12.038 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.494 -3.363 -11.327 1.00 0.00 H new ATOM 253 N LYS A 17 -7.893 -1.561 -13.360 1.00 0.00 N ATOM 254 CA LYS A 17 -7.643 -0.125 -13.216 1.00 0.00 C ATOM 255 C LYS A 17 -8.883 0.569 -12.651 1.00 0.00 C ATOM 256 O LYS A 17 -8.776 1.501 -11.854 1.00 0.00 O ATOM 257 CB LYS A 17 -7.284 0.503 -14.566 1.00 0.00 C ATOM 258 CG LYS A 17 -5.760 0.542 -14.723 1.00 0.00 C ATOM 259 CD LYS A 17 -5.305 -0.589 -15.653 1.00 0.00 C ATOM 260 CE LYS A 17 -5.140 -0.051 -17.079 1.00 0.00 C ATOM 261 NZ LYS A 17 -6.441 -0.146 -17.805 1.00 0.00 N ATOM 0 H LYS A 17 -8.091 -1.865 -14.313 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.805 0.006 -12.531 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.729 -0.073 -15.377 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.693 1.511 -14.630 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.452 1.505 -15.129 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.282 0.439 -13.749 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.362 -1.006 -15.300 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.035 -1.398 -15.642 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.803 0.985 -17.051 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.375 -0.621 -17.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.311 0.156 -18.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.778 -1.130 -17.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.141 0.470 -17.344 1.00 0.00 H new ATOM 275 N ASN A 18 -10.063 0.087 -13.066 1.00 0.00 N ATOM 276 CA ASN A 18 -11.330 0.646 -12.589 1.00 0.00 C ATOM 277 C ASN A 18 -11.454 0.457 -11.075 1.00 0.00 C ATOM 278 O ASN A 18 -11.898 1.355 -10.358 1.00 0.00 O ATOM 279 CB ASN A 18 -12.513 -0.046 -13.280 1.00 0.00 C ATOM 280 CG ASN A 18 -12.965 0.783 -14.477 1.00 0.00 C ATOM 281 OD1 ASN A 18 -13.455 1.902 -14.318 1.00 0.00 O ATOM 282 ND2 ASN A 18 -12.833 0.297 -15.682 1.00 0.00 N ATOM 0 H ASN A 18 -10.164 -0.684 -13.727 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.345 1.710 -12.826 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.223 -1.045 -13.606 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.337 -0.167 -12.577 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.135 0.844 -16.488 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.428 -0.629 -15.817 1.00 0.00 H new ATOM 289 N GLU A 19 -11.034 -0.723 -10.601 1.00 0.00 N ATOM 290 CA GLU A 19 -11.075 -1.034 -9.170 1.00 0.00 C ATOM 291 C GLU A 19 -9.996 -0.246 -8.436 1.00 0.00 C ATOM 292 O GLU A 19 -10.210 0.234 -7.325 1.00 0.00 O ATOM 293 CB GLU A 19 -10.837 -2.531 -8.925 1.00 0.00 C ATOM 294 CG GLU A 19 -11.865 -3.356 -9.704 1.00 0.00 C ATOM 295 CD GLU A 19 -13.123 -3.546 -8.862 1.00 0.00 C ATOM 296 OE1 GLU A 19 -14.005 -2.707 -8.953 1.00 0.00 O ATOM 297 OE2 GLU A 19 -13.187 -4.527 -8.140 1.00 0.00 O ATOM 0 H GLU A 19 -10.664 -1.473 -11.185 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.063 -0.762 -8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.828 -2.803 -9.236 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.913 -2.751 -7.860 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.115 -2.854 -10.639 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.442 -4.326 -9.966 1.00 0.00 H new ATOM 304 N PHE A 20 -8.832 -0.125 -9.080 1.00 0.00 N ATOM 305 CA PHE A 20 -7.704 0.604 -8.500 1.00 0.00 C ATOM 306 C PHE A 20 -8.051 2.077 -8.300 1.00 0.00 C ATOM 307 O PHE A 20 -7.758 2.652 -7.252 1.00 0.00 O ATOM 308 CB PHE A 20 -6.476 0.502 -9.412 1.00 0.00 C ATOM 309 CG PHE A 20 -5.682 -0.745 -9.088 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.298 -1.844 -8.472 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.323 -0.798 -9.408 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.555 -2.990 -8.180 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.579 -1.944 -9.117 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.194 -3.041 -8.501 1.00 0.00 C ATOM 0 H PHE A 20 -8.648 -0.522 -10.001 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.482 0.154 -7.532 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.791 0.480 -10.455 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.848 1.384 -9.287 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.348 -1.804 -8.223 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.847 0.048 -9.881 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.031 -3.836 -7.707 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.529 -1.984 -9.367 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.618 -3.926 -8.274 1.00 0.00 H new ATOM 324 N LYS A 21 -8.678 2.680 -9.316 1.00 0.00 N ATOM 325 CA LYS A 21 -9.059 4.090 -9.233 1.00 0.00 C ATOM 326 C LYS A 21 -10.098 4.294 -8.136 1.00 0.00 C ATOM 327 O LYS A 21 -9.957 5.179 -7.299 1.00 0.00 O ATOM 328 CB LYS A 21 -9.631 4.587 -10.564 1.00 0.00 C ATOM 329 CG LYS A 21 -9.290 6.069 -10.734 1.00 0.00 C ATOM 330 CD LYS A 21 -10.179 6.916 -9.819 1.00 0.00 C ATOM 331 CE LYS A 21 -10.276 8.340 -10.371 1.00 0.00 C ATOM 332 NZ LYS A 21 -11.537 8.488 -11.153 1.00 0.00 N ATOM 0 H LYS A 21 -8.928 2.221 -10.192 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.161 4.662 -9.000 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.217 4.009 -11.390 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.712 4.445 -10.585 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.240 6.239 -10.495 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.433 6.367 -11.773 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.173 6.474 -9.750 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.767 6.934 -8.810 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.257 9.060 -9.553 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.416 8.555 -11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.602 9.456 -11.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.538 7.811 -11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.353 8.301 -10.535 1.00 0.00 H new ATOM 346 N ALA A 22 -11.136 3.454 -8.145 1.00 0.00 N ATOM 347 CA ALA A 22 -12.187 3.545 -7.131 1.00 0.00 C ATOM 348 C ALA A 22 -11.596 3.315 -5.739 1.00 0.00 C ATOM 349 O ALA A 22 -11.879 4.062 -4.806 1.00 0.00 O ATOM 350 CB ALA A 22 -13.283 2.511 -7.393 1.00 0.00 C ATOM 0 H ALA A 22 -11.270 2.713 -8.833 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.623 4.543 -7.182 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.054 2.596 -6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.724 2.689 -8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.853 1.510 -7.365 1.00 0.00 H new ATOM 356 N ALA A 23 -10.756 2.278 -5.623 1.00 0.00 N ATOM 357 CA ALA A 23 -10.104 1.958 -4.347 1.00 0.00 C ATOM 358 C ALA A 23 -9.204 3.110 -3.888 1.00 0.00 C ATOM 359 O ALA A 23 -8.949 3.274 -2.695 1.00 0.00 O ATOM 360 CB ALA A 23 -9.255 0.689 -4.482 1.00 0.00 C ATOM 0 H ALA A 23 -10.514 1.651 -6.390 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.888 1.798 -3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.779 0.466 -3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.892 -0.146 -4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.489 0.843 -5.242 1.00 0.00 H new ATOM 366 N PHE A 24 -8.729 3.905 -4.852 1.00 0.00 N ATOM 367 CA PHE A 24 -7.866 5.042 -4.548 1.00 0.00 C ATOM 368 C PHE A 24 -8.705 6.275 -4.210 1.00 0.00 C ATOM 369 O PHE A 24 -8.545 6.872 -3.147 1.00 0.00 O ATOM 370 CB PHE A 24 -6.969 5.362 -5.753 1.00 0.00 C ATOM 371 CG PHE A 24 -5.736 6.105 -5.298 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.599 5.392 -4.901 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.726 7.506 -5.272 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.455 6.077 -4.480 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.582 8.190 -4.851 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.446 7.476 -4.455 1.00 0.00 C ATOM 0 H PHE A 24 -8.929 3.780 -5.844 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.248 4.780 -3.690 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.682 4.440 -6.258 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.519 5.963 -6.477 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.605 4.312 -4.920 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.603 8.058 -5.577 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.578 5.526 -4.174 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.575 9.270 -4.831 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.562 8.005 -4.130 1.00 0.00 H new ATOM 386 N ASP A 25 -9.590 6.652 -5.140 1.00 0.00 N ATOM 387 CA ASP A 25 -10.447 7.831 -4.964 1.00 0.00 C ATOM 388 C ASP A 25 -11.249 7.792 -3.657 1.00 0.00 C ATOM 389 O ASP A 25 -11.443 8.831 -3.022 1.00 0.00 O ATOM 390 CB ASP A 25 -11.423 7.960 -6.139 1.00 0.00 C ATOM 391 CG ASP A 25 -11.999 9.373 -6.176 1.00 0.00 C ATOM 392 OD1 ASP A 25 -11.342 10.247 -6.716 1.00 0.00 O ATOM 393 OD2 ASP A 25 -13.090 9.560 -5.662 1.00 0.00 O ATOM 0 H ASP A 25 -9.732 6.159 -6.021 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.780 8.693 -4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.911 7.741 -7.076 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.227 7.231 -6.038 1.00 0.00 H new ATOM 398 N ILE A 26 -11.724 6.603 -3.261 1.00 0.00 N ATOM 399 CA ILE A 26 -12.509 6.483 -2.021 1.00 0.00 C ATOM 400 C ILE A 26 -11.730 7.055 -0.831 1.00 0.00 C ATOM 401 O ILE A 26 -12.304 7.712 0.040 1.00 0.00 O ATOM 402 CB ILE A 26 -12.886 5.023 -1.733 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.628 4.142 -1.751 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.877 4.536 -2.796 1.00 0.00 C ATOM 405 CD1 ILE A 26 -12.006 2.688 -1.465 1.00 0.00 C ATOM 0 H ILE A 26 -11.584 5.728 -3.767 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.426 7.055 -2.161 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.347 4.957 -0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.136 4.215 -2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.916 4.495 -1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -14.147 3.499 -2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.773 5.156 -2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.417 4.606 -3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.109 2.069 -1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.477 2.621 -0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.702 2.336 -2.227 1.00 0.00 H new ATOM 417 N PHE A 27 -10.415 6.813 -0.816 1.00 0.00 N ATOM 418 CA PHE A 27 -9.560 7.324 0.256 1.00 0.00 C ATOM 419 C PHE A 27 -9.161 8.776 -0.027 1.00 0.00 C ATOM 420 O PHE A 27 -8.958 9.565 0.899 1.00 0.00 O ATOM 421 CB PHE A 27 -8.293 6.473 0.391 1.00 0.00 C ATOM 422 CG PHE A 27 -8.611 5.215 1.164 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.562 5.218 2.564 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.963 4.046 0.480 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.864 4.052 3.277 1.00 0.00 C ATOM 426 CE2 PHE A 27 -9.266 2.881 1.192 1.00 0.00 C ATOM 427 CZ PHE A 27 -9.217 2.883 2.590 1.00 0.00 C ATOM 0 H PHE A 27 -9.925 6.271 -1.528 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.125 7.276 1.187 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.906 6.218 -0.596 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.514 7.039 0.902 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.291 6.120 3.093 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -9.001 4.043 -0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.825 4.053 4.356 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.538 1.980 0.662 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.451 1.983 3.140 1.00 0.00 H new ATOM 437 N ILE A 28 -9.051 9.119 -1.319 1.00 0.00 N ATOM 438 CA ILE A 28 -8.676 10.480 -1.724 1.00 0.00 C ATOM 439 C ILE A 28 -9.927 11.332 -1.986 1.00 0.00 C ATOM 440 O ILE A 28 -9.957 12.159 -2.901 1.00 0.00 O ATOM 441 CB ILE A 28 -7.813 10.444 -3.001 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.744 9.347 -2.901 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.115 11.789 -3.206 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.177 9.270 -1.477 1.00 0.00 C ATOM 0 H ILE A 28 -9.215 8.478 -2.095 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.102 10.925 -0.911 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.471 10.235 -3.844 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.176 8.385 -3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.939 9.551 -3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.509 11.750 -4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.863 12.576 -3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.475 12.001 -2.350 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.421 8.486 -1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.726 10.226 -1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.981 9.043 -0.777 1.00 0.00 H new ATOM 456 N GLN A 29 -10.960 11.128 -1.162 1.00 0.00 N ATOM 457 CA GLN A 29 -12.203 11.889 -1.305 1.00 0.00 C ATOM 458 C GLN A 29 -12.028 13.311 -0.759 1.00 0.00 C ATOM 459 O GLN A 29 -12.673 14.250 -1.228 1.00 0.00 O ATOM 460 CB GLN A 29 -13.363 11.196 -0.571 1.00 0.00 C ATOM 461 CG GLN A 29 -12.989 10.937 0.895 1.00 0.00 C ATOM 462 CD GLN A 29 -14.256 10.863 1.740 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.486 11.713 2.601 1.00 0.00 O ATOM 464 NE2 GLN A 29 -15.104 9.887 1.546 1.00 0.00 N ATOM 0 H GLN A 29 -10.960 10.451 -0.399 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.441 11.938 -2.368 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.257 11.818 -0.621 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.603 10.254 -1.064 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.429 10.006 0.979 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.341 11.733 1.262 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.916 9.182 0.833 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.954 9.831 2.107 1.00 0.00 H new ATOM 473 N ASP A 30 -11.140 13.457 0.234 1.00 0.00 N ATOM 474 CA ASP A 30 -10.878 14.764 0.834 1.00 0.00 C ATOM 475 C ASP A 30 -9.417 14.865 1.302 1.00 0.00 C ATOM 476 O ASP A 30 -9.119 15.512 2.310 1.00 0.00 O ATOM 477 CB ASP A 30 -11.819 14.996 2.025 1.00 0.00 C ATOM 478 CG ASP A 30 -12.162 16.481 2.134 1.00 0.00 C ATOM 479 OD1 ASP A 30 -12.997 16.935 1.369 1.00 0.00 O ATOM 480 OD2 ASP A 30 -11.587 17.140 2.985 1.00 0.00 O ATOM 0 H ASP A 30 -10.597 12.691 0.633 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.057 15.529 0.078 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.730 14.411 1.899 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.346 14.654 2.946 1.00 0.00 H new ATOM 485 N ALA A 31 -8.506 14.224 0.554 1.00 0.00 N ATOM 486 CA ALA A 31 -7.085 14.261 0.902 1.00 0.00 C ATOM 487 C ALA A 31 -6.498 15.634 0.582 1.00 0.00 C ATOM 488 O ALA A 31 -6.960 16.325 -0.329 1.00 0.00 O ATOM 489 CB ALA A 31 -6.308 13.196 0.125 1.00 0.00 C ATOM 0 H ALA A 31 -8.727 13.683 -0.282 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.997 14.062 1.970 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.254 13.242 0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.703 12.209 0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.413 13.377 -0.945 1.00 0.00 H new ATOM 495 N GLU A 32 -5.472 16.017 1.341 1.00 0.00 N ATOM 496 CA GLU A 32 -4.817 17.312 1.134 1.00 0.00 C ATOM 497 C GLU A 32 -3.831 17.228 -0.030 1.00 0.00 C ATOM 498 O GLU A 32 -3.799 18.103 -0.897 1.00 0.00 O ATOM 499 CB GLU A 32 -4.068 17.751 2.399 1.00 0.00 C ATOM 500 CG GLU A 32 -5.046 18.413 3.377 1.00 0.00 C ATOM 501 CD GLU A 32 -5.485 19.773 2.837 1.00 0.00 C ATOM 502 OE1 GLU A 32 -4.700 20.704 2.919 1.00 0.00 O ATOM 503 OE2 GLU A 32 -6.601 19.864 2.352 1.00 0.00 O ATOM 0 H GLU A 32 -5.078 15.457 2.097 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.590 18.046 0.905 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.595 16.889 2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.272 18.448 2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.916 17.773 3.523 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.572 18.535 4.351 1.00 0.00 H new ATOM 510 N ASP A 33 -3.034 16.157 -0.039 1.00 0.00 N ATOM 511 CA ASP A 33 -2.047 15.946 -1.101 1.00 0.00 C ATOM 512 C ASP A 33 -2.663 15.151 -2.256 1.00 0.00 C ATOM 513 O ASP A 33 -2.333 15.376 -3.422 1.00 0.00 O ATOM 514 CB ASP A 33 -0.834 15.183 -0.559 1.00 0.00 C ATOM 515 CG ASP A 33 -0.045 16.082 0.390 1.00 0.00 C ATOM 516 OD1 ASP A 33 -0.352 16.077 1.572 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.852 16.763 -0.077 1.00 0.00 O ATOM 0 H ASP A 33 -3.052 15.426 0.672 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.729 16.923 -1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.161 14.284 -0.037 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.198 14.859 -1.383 1.00 0.00 H new ATOM 522 N GLY A 34 -3.561 14.218 -1.915 1.00 0.00 N ATOM 523 CA GLY A 34 -4.222 13.389 -2.924 1.00 0.00 C ATOM 524 C GLY A 34 -3.586 12.001 -2.992 1.00 0.00 C ATOM 525 O GLY A 34 -3.344 11.469 -4.076 1.00 0.00 O ATOM 0 H GLY A 34 -3.843 14.021 -0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.282 13.296 -2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.154 13.872 -3.899 1.00 0.00 H new ATOM 529 N CYS A 35 -3.317 11.423 -1.817 1.00 0.00 N ATOM 530 CA CYS A 35 -2.703 10.094 -1.746 1.00 0.00 C ATOM 531 C CYS A 35 -3.014 9.419 -0.413 1.00 0.00 C ATOM 532 O CYS A 35 -3.543 10.042 0.511 1.00 0.00 O ATOM 533 CB CYS A 35 -1.180 10.181 -1.911 1.00 0.00 C ATOM 534 SG CYS A 35 -0.587 11.818 -1.408 1.00 0.00 S ATOM 0 H CYS A 35 -3.512 11.849 -0.911 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.123 9.503 -2.560 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.697 9.411 -1.309 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.908 9.991 -2.949 1.00 0.00 H new ATOM 0 HG CYS A 35 0.216 12.287 -2.317 1.00 0.00 H new ATOM 540 N ILE A 36 -2.670 8.132 -0.327 1.00 0.00 N ATOM 541 CA ILE A 36 -2.907 7.362 0.899 1.00 0.00 C ATOM 542 C ILE A 36 -1.600 7.178 1.679 1.00 0.00 C ATOM 543 O ILE A 36 -0.543 7.650 1.260 1.00 0.00 O ATOM 544 CB ILE A 36 -3.509 5.986 0.572 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.617 5.245 -0.431 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.907 6.169 -0.026 1.00 0.00 C ATOM 547 CD1 ILE A 36 -2.033 3.996 0.232 1.00 0.00 C ATOM 0 H ILE A 36 -2.231 7.605 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.615 7.919 1.513 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.576 5.400 1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.196 4.966 -1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.814 5.898 -0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.334 5.193 -0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.546 6.683 0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.838 6.761 -0.939 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.399 3.469 -0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.440 4.288 1.099 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.843 3.341 0.551 1.00 0.00 H new ATOM 559 N SER A 37 -1.687 6.492 2.821 1.00 0.00 N ATOM 560 CA SER A 37 -0.510 6.254 3.656 1.00 0.00 C ATOM 561 C SER A 37 0.122 4.902 3.331 1.00 0.00 C ATOM 562 O SER A 37 -0.544 3.985 2.848 1.00 0.00 O ATOM 563 CB SER A 37 -0.888 6.284 5.139 1.00 0.00 C ATOM 564 OG SER A 37 0.284 6.480 5.919 1.00 0.00 O ATOM 0 H SER A 37 -2.553 6.095 3.185 1.00 0.00 H new ATOM 0 HA SER A 37 0.209 7.046 3.447 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.602 7.085 5.328 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.374 5.350 5.421 1.00 0.00 H new ATOM 0 HG SER A 37 0.196 7.305 6.440 1.00 0.00 H new ATOM 570 N THR A 38 1.419 4.794 3.620 1.00 0.00 N ATOM 571 CA THR A 38 2.159 3.548 3.376 1.00 0.00 C ATOM 572 C THR A 38 1.580 2.411 4.223 1.00 0.00 C ATOM 573 O THR A 38 1.360 1.304 3.728 1.00 0.00 O ATOM 574 CB THR A 38 3.650 3.720 3.713 1.00 0.00 C ATOM 575 OG1 THR A 38 3.792 4.197 5.049 1.00 0.00 O ATOM 576 CG2 THR A 38 4.285 4.714 2.736 1.00 0.00 C ATOM 0 H THR A 38 1.979 5.547 4.021 1.00 0.00 H new ATOM 0 HA THR A 38 2.060 3.303 2.318 1.00 0.00 H new ATOM 0 HB THR A 38 4.153 2.757 3.624 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.743 4.303 5.259 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.341 4.835 2.976 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.185 4.338 1.718 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.781 5.677 2.818 1.00 0.00 H new ATOM 584 N LYS A 39 1.329 2.707 5.503 1.00 0.00 N ATOM 585 CA LYS A 39 0.762 1.719 6.426 1.00 0.00 C ATOM 586 C LYS A 39 -0.700 1.400 6.075 1.00 0.00 C ATOM 587 O LYS A 39 -1.214 0.339 6.434 1.00 0.00 O ATOM 588 CB LYS A 39 0.828 2.241 7.867 1.00 0.00 C ATOM 589 CG LYS A 39 -0.063 3.481 8.016 1.00 0.00 C ATOM 590 CD LYS A 39 0.288 4.211 9.313 1.00 0.00 C ATOM 591 CE LYS A 39 0.035 5.713 9.149 1.00 0.00 C ATOM 592 NZ LYS A 39 -1.425 5.994 9.273 1.00 0.00 N ATOM 0 H LYS A 39 1.509 3.619 5.922 1.00 0.00 H new ATOM 0 HA LYS A 39 1.352 0.807 6.334 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.503 1.464 8.559 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.857 2.489 8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.076 4.146 7.163 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.113 3.188 8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.312 3.820 10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.333 4.035 9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.588 6.269 9.906 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.399 6.049 8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.593 7.014 9.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.942 5.475 8.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.759 5.689 10.209 1.00 0.00 H new ATOM 606 N GLU A 40 -1.360 2.331 5.373 1.00 0.00 N ATOM 607 CA GLU A 40 -2.761 2.143 4.980 1.00 0.00 C ATOM 608 C GLU A 40 -2.892 1.213 3.764 1.00 0.00 C ATOM 609 O GLU A 40 -4.005 0.860 3.369 1.00 0.00 O ATOM 610 CB GLU A 40 -3.403 3.490 4.635 1.00 0.00 C ATOM 611 CG GLU A 40 -3.840 4.202 5.919 1.00 0.00 C ATOM 612 CD GLU A 40 -4.785 5.347 5.569 1.00 0.00 C ATOM 613 OE1 GLU A 40 -4.297 6.430 5.293 1.00 0.00 O ATOM 614 OE2 GLU A 40 -5.985 5.124 5.582 1.00 0.00 O ATOM 0 H GLU A 40 -0.950 3.214 5.068 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.271 1.687 5.828 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.694 4.111 4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.263 3.337 3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.336 3.498 6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.968 4.585 6.450 1.00 0.00 H new ATOM 621 N LEU A 41 -1.754 0.811 3.176 1.00 0.00 N ATOM 622 CA LEU A 41 -1.779 -0.083 2.015 1.00 0.00 C ATOM 623 C LEU A 41 -2.405 -1.430 2.388 1.00 0.00 C ATOM 624 O LEU A 41 -3.266 -1.944 1.679 1.00 0.00 O ATOM 625 CB LEU A 41 -0.363 -0.323 1.482 1.00 0.00 C ATOM 626 CG LEU A 41 -0.259 -0.525 -0.035 1.00 0.00 C ATOM 627 CD1 LEU A 41 1.165 -0.949 -0.399 1.00 0.00 C ATOM 628 CD2 LEU A 41 -1.243 -1.611 -0.483 1.00 0.00 C ATOM 0 H LEU A 41 -0.821 1.087 3.482 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.378 0.397 1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.262 0.525 1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.050 -1.201 1.978 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.501 0.411 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.238 -1.092 -1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.866 -0.175 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.407 -1.883 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.165 -1.750 -1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.006 -2.547 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.259 -1.309 -0.229 1.00 0.00 H new ATOM 640 N GLY A 42 -1.967 -1.991 3.518 1.00 0.00 N ATOM 641 CA GLY A 42 -2.497 -3.278 3.984 1.00 0.00 C ATOM 642 C GLY A 42 -4.005 -3.205 4.259 1.00 0.00 C ATOM 643 O GLY A 42 -4.682 -4.235 4.317 1.00 0.00 O ATOM 0 H GLY A 42 -1.255 -1.581 4.122 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.300 -4.045 3.235 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.976 -3.579 4.893 1.00 0.00 H new ATOM 647 N LYS A 43 -4.524 -1.982 4.428 1.00 0.00 N ATOM 648 CA LYS A 43 -5.946 -1.784 4.695 1.00 0.00 C ATOM 649 C LYS A 43 -6.749 -1.729 3.388 1.00 0.00 C ATOM 650 O LYS A 43 -7.894 -2.184 3.336 1.00 0.00 O ATOM 651 CB LYS A 43 -6.138 -0.479 5.475 1.00 0.00 C ATOM 652 CG LYS A 43 -7.618 -0.264 5.794 1.00 0.00 C ATOM 653 CD LYS A 43 -8.056 1.093 5.242 1.00 0.00 C ATOM 654 CE LYS A 43 -8.544 1.983 6.387 1.00 0.00 C ATOM 655 NZ LYS A 43 -10.014 1.806 6.567 1.00 0.00 N ATOM 0 H LYS A 43 -3.979 -1.121 4.384 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.310 -2.626 5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.561 -0.511 6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.759 0.360 4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.217 -1.061 5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.780 -0.302 6.871 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.224 1.572 4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.851 0.959 4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.021 1.727 7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.317 3.027 6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.344 2.412 7.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.506 2.071 5.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.219 0.811 6.791 1.00 0.00 H new ATOM 669 N VAL A 44 -6.141 -1.170 2.333 1.00 0.00 N ATOM 670 CA VAL A 44 -6.818 -1.065 1.036 1.00 0.00 C ATOM 671 C VAL A 44 -6.812 -2.411 0.299 1.00 0.00 C ATOM 672 O VAL A 44 -7.728 -2.703 -0.471 1.00 0.00 O ATOM 673 CB VAL A 44 -6.169 0.014 0.155 1.00 0.00 C ATOM 674 CG1 VAL A 44 -6.296 1.377 0.840 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.686 -0.296 -0.064 1.00 0.00 C ATOM 0 H VAL A 44 -5.195 -0.789 2.352 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.851 -0.778 1.233 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.678 0.030 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.836 2.142 0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.350 1.614 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.793 1.347 1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.241 0.478 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.174 -0.323 0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.585 -1.263 -0.556 1.00 0.00 H new ATOM 685 N MET A 45 -5.779 -3.231 0.551 1.00 0.00 N ATOM 686 CA MET A 45 -5.681 -4.549 -0.087 1.00 0.00 C ATOM 687 C MET A 45 -6.902 -5.407 0.254 1.00 0.00 C ATOM 688 O MET A 45 -7.315 -6.252 -0.538 1.00 0.00 O ATOM 689 CB MET A 45 -4.419 -5.299 0.370 1.00 0.00 C ATOM 690 CG MET A 45 -3.170 -4.444 0.124 1.00 0.00 C ATOM 691 SD MET A 45 -2.437 -4.888 -1.469 1.00 0.00 S ATOM 692 CE MET A 45 -3.764 -4.218 -2.496 1.00 0.00 C ATOM 0 H MET A 45 -5.011 -3.007 1.183 1.00 0.00 H new ATOM 0 HA MET A 45 -5.632 -4.380 -1.163 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.497 -5.543 1.429 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.334 -6.242 -0.169 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.433 -3.386 0.133 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.447 -4.599 0.925 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.375 -3.985 -3.487 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.563 -4.954 -2.584 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.156 -3.310 -2.038 1.00 0.00 H new ATOM 702 N ARG A 46 -7.477 -5.173 1.438 1.00 0.00 N ATOM 703 CA ARG A 46 -8.659 -5.924 1.873 1.00 0.00 C ATOM 704 C ARG A 46 -9.846 -5.637 0.952 1.00 0.00 C ATOM 705 O ARG A 46 -10.617 -6.540 0.617 1.00 0.00 O ATOM 706 CB ARG A 46 -9.036 -5.546 3.310 1.00 0.00 C ATOM 707 CG ARG A 46 -8.047 -6.189 4.288 1.00 0.00 C ATOM 708 CD ARG A 46 -8.479 -5.889 5.725 1.00 0.00 C ATOM 709 NE ARG A 46 -9.340 -6.956 6.243 1.00 0.00 N ATOM 710 CZ ARG A 46 -9.614 -7.070 7.550 1.00 0.00 C ATOM 711 NH1 ARG A 46 -9.125 -6.214 8.416 1.00 0.00 N ATOM 712 NH2 ARG A 46 -10.381 -8.045 7.967 1.00 0.00 N ATOM 0 H ARG A 46 -7.147 -4.477 2.106 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.417 -6.986 1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.025 -4.462 3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.050 -5.880 3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.008 -7.266 4.126 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.043 -5.804 4.111 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.599 -5.785 6.360 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.011 -4.938 5.759 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.742 -7.630 5.591 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.529 -5.450 8.097 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.341 -6.312 9.408 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.766 -8.712 7.299 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.593 -8.138 8.960 1.00 0.00 H new ATOM 726 N MET A 47 -9.979 -4.370 0.543 1.00 0.00 N ATOM 727 CA MET A 47 -11.071 -3.962 -0.347 1.00 0.00 C ATOM 728 C MET A 47 -10.894 -4.566 -1.745 1.00 0.00 C ATOM 729 O MET A 47 -11.874 -4.908 -2.409 1.00 0.00 O ATOM 730 CB MET A 47 -11.129 -2.435 -0.465 1.00 0.00 C ATOM 731 CG MET A 47 -11.968 -1.865 0.681 1.00 0.00 C ATOM 732 SD MET A 47 -11.802 -0.063 0.714 1.00 0.00 S ATOM 733 CE MET A 47 -11.270 0.090 2.437 1.00 0.00 C ATOM 0 H MET A 47 -9.349 -3.615 0.812 1.00 0.00 H new ATOM 0 HA MET A 47 -12.002 -4.329 0.085 1.00 0.00 H new ATOM 0 HB2 MET A 47 -10.122 -2.019 -0.434 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.562 -2.150 -1.424 1.00 0.00 H new ATOM 0 HG2 MET A 47 -13.014 -2.142 0.552 1.00 0.00 H new ATOM 0 HG3 MET A 47 -11.641 -2.288 1.631 1.00 0.00 H new ATOM 0 HE1 MET A 47 -11.479 1.099 2.794 1.00 0.00 H new ATOM 0 HE2 MET A 47 -11.811 -0.631 3.050 1.00 0.00 H new ATOM 0 HE3 MET A 47 -10.200 -0.105 2.506 1.00 0.00 H new ATOM 743 N LEU A 48 -9.635 -4.693 -2.185 1.00 0.00 N ATOM 744 CA LEU A 48 -9.350 -5.257 -3.508 1.00 0.00 C ATOM 745 C LEU A 48 -9.440 -6.784 -3.473 1.00 0.00 C ATOM 746 O LEU A 48 -10.317 -7.379 -4.102 1.00 0.00 O ATOM 747 CB LEU A 48 -7.953 -4.845 -3.984 1.00 0.00 C ATOM 748 CG LEU A 48 -7.881 -3.501 -4.714 1.00 0.00 C ATOM 749 CD1 LEU A 48 -6.420 -3.060 -4.832 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.484 -3.647 -6.116 1.00 0.00 C ATOM 0 H LEU A 48 -8.810 -4.417 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.094 -4.868 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.289 -4.807 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.569 -5.621 -4.647 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.442 -2.754 -4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.370 -2.103 -5.352 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.990 -2.955 -3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.858 -3.807 -5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.433 -2.690 -6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.924 -4.395 -6.677 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.525 -3.960 -6.034 1.00 0.00 H new ATOM 762 N GLY A 49 -8.522 -7.406 -2.729 1.00 0.00 N ATOM 763 CA GLY A 49 -8.495 -8.866 -2.608 1.00 0.00 C ATOM 764 C GLY A 49 -7.076 -9.362 -2.339 1.00 0.00 C ATOM 765 O GLY A 49 -6.544 -10.190 -3.080 1.00 0.00 O ATOM 0 H GLY A 49 -7.792 -6.925 -2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.154 -9.181 -1.799 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.876 -9.318 -3.524 1.00 0.00 H new ATOM 769 N GLN A 50 -6.472 -8.840 -1.267 1.00 0.00 N ATOM 770 CA GLN A 50 -5.109 -9.222 -0.891 1.00 0.00 C ATOM 771 C GLN A 50 -4.928 -9.131 0.624 1.00 0.00 C ATOM 772 O GLN A 50 -5.606 -8.350 1.298 1.00 0.00 O ATOM 773 CB GLN A 50 -4.086 -8.303 -1.567 1.00 0.00 C ATOM 774 CG GLN A 50 -3.562 -8.964 -2.844 1.00 0.00 C ATOM 775 CD GLN A 50 -3.269 -7.895 -3.893 1.00 0.00 C ATOM 776 OE1 GLN A 50 -2.112 -7.659 -4.241 1.00 0.00 O ATOM 777 NE2 GLN A 50 -4.258 -7.226 -4.424 1.00 0.00 N ATOM 0 H GLN A 50 -6.904 -8.155 -0.647 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.948 -10.249 -1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.546 -7.344 -1.805 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.260 -8.100 -0.886 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.657 -9.531 -2.626 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.297 -9.671 -3.227 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.217 -7.420 -4.137 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.071 -6.510 -5.126 1.00 0.00 H new ATOM 786 N ASN A 51 -4.008 -9.941 1.152 1.00 0.00 N ATOM 787 CA ASN A 51 -3.745 -9.948 2.592 1.00 0.00 C ATOM 788 C ASN A 51 -2.312 -10.412 2.882 1.00 0.00 C ATOM 789 O ASN A 51 -2.086 -11.550 3.304 1.00 0.00 O ATOM 790 CB ASN A 51 -4.743 -10.872 3.306 1.00 0.00 C ATOM 791 CG ASN A 51 -4.896 -10.438 4.762 1.00 0.00 C ATOM 792 OD1 ASN A 51 -5.356 -9.329 5.041 1.00 0.00 O ATOM 793 ND2 ASN A 51 -4.538 -11.254 5.716 1.00 0.00 N ATOM 0 H ASN A 51 -3.439 -10.593 0.612 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.864 -8.931 2.965 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.709 -10.838 2.803 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.396 -11.904 3.259 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.639 -10.974 6.692 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.157 -12.172 5.486 1.00 0.00 H new ATOM 800 N PRO A 52 -1.329 -9.527 2.663 1.00 0.00 N ATOM 801 CA PRO A 52 0.093 -9.839 2.907 1.00 0.00 C ATOM 802 C PRO A 52 0.489 -9.643 4.374 1.00 0.00 C ATOM 803 O PRO A 52 -0.366 -9.498 5.250 1.00 0.00 O ATOM 804 CB PRO A 52 0.800 -8.820 2.019 1.00 0.00 C ATOM 805 CG PRO A 52 -0.165 -7.658 1.814 1.00 0.00 C ATOM 806 CD PRO A 52 -1.573 -8.160 2.155 1.00 0.00 C ATOM 0 HA PRO A 52 0.342 -10.878 2.690 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.723 -8.476 2.486 1.00 0.00 H new ATOM 0 HB3 PRO A 52 1.074 -9.266 1.063 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.107 -6.817 2.452 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.124 -7.303 0.784 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.054 -7.532 2.904 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.222 -8.165 1.279 1.00 0.00 H new ATOM 814 N THR A 53 1.800 -9.628 4.624 1.00 0.00 N ATOM 815 CA THR A 53 2.316 -9.431 5.979 1.00 0.00 C ATOM 816 C THR A 53 2.806 -7.986 6.123 1.00 0.00 C ATOM 817 O THR A 53 2.859 -7.248 5.138 1.00 0.00 O ATOM 818 CB THR A 53 3.474 -10.407 6.273 1.00 0.00 C ATOM 819 OG1 THR A 53 4.691 -9.889 5.750 1.00 0.00 O ATOM 820 CG2 THR A 53 3.192 -11.768 5.633 1.00 0.00 C ATOM 0 H THR A 53 2.519 -9.749 3.911 1.00 0.00 H new ATOM 0 HA THR A 53 1.517 -9.627 6.694 1.00 0.00 H new ATOM 0 HB THR A 53 3.562 -10.526 7.353 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.422 -10.513 5.942 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.016 -12.449 5.847 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.268 -12.177 6.041 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.091 -11.649 4.554 1.00 0.00 H new ATOM 828 N PRO A 54 3.182 -7.566 7.335 1.00 0.00 N ATOM 829 CA PRO A 54 3.681 -6.194 7.558 1.00 0.00 C ATOM 830 C PRO A 54 5.083 -5.984 6.982 1.00 0.00 C ATOM 831 O PRO A 54 5.446 -4.872 6.593 1.00 0.00 O ATOM 832 CB PRO A 54 3.672 -6.081 9.078 1.00 0.00 C ATOM 833 CG PRO A 54 3.731 -7.499 9.626 1.00 0.00 C ATOM 834 CD PRO A 54 3.151 -8.415 8.547 1.00 0.00 C ATOM 0 HA PRO A 54 3.076 -5.435 7.061 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.523 -5.496 9.427 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.772 -5.571 9.422 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.758 -7.780 9.861 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.159 -7.580 10.550 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.748 -9.319 8.422 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.137 -8.733 8.790 1.00 0.00 H new ATOM 842 N GLU A 55 5.856 -7.070 6.915 1.00 0.00 N ATOM 843 CA GLU A 55 7.213 -7.011 6.368 1.00 0.00 C ATOM 844 C GLU A 55 7.176 -7.122 4.841 1.00 0.00 C ATOM 845 O GLU A 55 7.952 -6.469 4.141 1.00 0.00 O ATOM 846 CB GLU A 55 8.075 -8.150 6.926 1.00 0.00 C ATOM 847 CG GLU A 55 7.868 -8.263 8.439 1.00 0.00 C ATOM 848 CD GLU A 55 8.857 -9.267 9.022 1.00 0.00 C ATOM 849 OE1 GLU A 55 9.962 -8.863 9.346 1.00 0.00 O ATOM 850 OE2 GLU A 55 8.494 -10.427 9.138 1.00 0.00 O ATOM 0 H GLU A 55 5.568 -7.996 7.231 1.00 0.00 H new ATOM 0 HA GLU A 55 7.648 -6.055 6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.810 -9.090 6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.126 -7.964 6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.006 -7.289 8.908 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.847 -8.578 8.653 1.00 0.00 H new ATOM 857 N GLU A 56 6.262 -7.963 4.337 1.00 0.00 N ATOM 858 CA GLU A 56 6.125 -8.165 2.893 1.00 0.00 C ATOM 859 C GLU A 56 5.546 -6.920 2.220 1.00 0.00 C ATOM 860 O GLU A 56 6.094 -6.429 1.232 1.00 0.00 O ATOM 861 CB GLU A 56 5.214 -9.365 2.600 1.00 0.00 C ATOM 862 CG GLU A 56 5.375 -9.795 1.136 1.00 0.00 C ATOM 863 CD GLU A 56 6.738 -10.455 0.937 1.00 0.00 C ATOM 864 OE1 GLU A 56 6.859 -11.628 1.251 1.00 0.00 O ATOM 865 OE2 GLU A 56 7.640 -9.778 0.471 1.00 0.00 O ATOM 0 H GLU A 56 5.613 -8.509 4.904 1.00 0.00 H new ATOM 0 HA GLU A 56 7.120 -8.358 2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.465 -10.194 3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.175 -9.102 2.799 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.581 -10.490 0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.281 -8.929 0.481 1.00 0.00 H new ATOM 872 N LEU A 57 4.432 -6.414 2.768 1.00 0.00 N ATOM 873 CA LEU A 57 3.786 -5.222 2.213 1.00 0.00 C ATOM 874 C LEU A 57 4.742 -4.023 2.245 1.00 0.00 C ATOM 875 O LEU A 57 4.749 -3.202 1.326 1.00 0.00 O ATOM 876 CB LEU A 57 2.498 -4.897 2.993 1.00 0.00 C ATOM 877 CG LEU A 57 2.368 -3.466 3.530 1.00 0.00 C ATOM 878 CD1 LEU A 57 0.890 -3.077 3.599 1.00 0.00 C ATOM 879 CD2 LEU A 57 2.984 -3.385 4.931 1.00 0.00 C ATOM 0 H LEU A 57 3.966 -6.808 3.585 1.00 0.00 H new ATOM 0 HA LEU A 57 3.525 -5.427 1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.646 -5.097 2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.426 -5.586 3.835 1.00 0.00 H new ATOM 0 HG LEU A 57 2.893 -2.781 2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.799 -2.060 3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.453 -3.131 2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.364 -3.762 4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.891 -2.368 5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.462 -4.071 5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.038 -3.659 4.881 1.00 0.00 H new ATOM 891 N GLN A 58 5.548 -3.937 3.310 1.00 0.00 N ATOM 892 CA GLN A 58 6.508 -2.836 3.456 1.00 0.00 C ATOM 893 C GLN A 58 7.458 -2.781 2.258 1.00 0.00 C ATOM 894 O GLN A 58 7.751 -1.703 1.736 1.00 0.00 O ATOM 895 CB GLN A 58 7.330 -3.002 4.740 1.00 0.00 C ATOM 896 CG GLN A 58 7.944 -1.655 5.140 1.00 0.00 C ATOM 897 CD GLN A 58 6.841 -0.700 5.594 1.00 0.00 C ATOM 898 OE1 GLN A 58 6.461 -0.693 6.765 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.299 0.116 4.728 1.00 0.00 N ATOM 0 H GLN A 58 5.555 -4.610 4.077 1.00 0.00 H new ATOM 0 HA GLN A 58 5.940 -1.907 3.507 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.695 -3.376 5.543 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.117 -3.740 4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.667 -1.798 5.943 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.485 -1.226 4.296 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.613 0.112 3.757 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.563 0.757 5.023 1.00 0.00 H new ATOM 908 N GLU A 59 7.927 -3.956 1.824 1.00 0.00 N ATOM 909 CA GLU A 59 8.838 -4.037 0.680 1.00 0.00 C ATOM 910 C GLU A 59 8.169 -3.491 -0.582 1.00 0.00 C ATOM 911 O GLU A 59 8.791 -2.768 -1.359 1.00 0.00 O ATOM 912 CB GLU A 59 9.261 -5.488 0.424 1.00 0.00 C ATOM 913 CG GLU A 59 10.268 -5.929 1.489 1.00 0.00 C ATOM 914 CD GLU A 59 10.525 -7.427 1.353 1.00 0.00 C ATOM 915 OE1 GLU A 59 9.783 -8.192 1.948 1.00 0.00 O ATOM 916 OE2 GLU A 59 11.460 -7.788 0.657 1.00 0.00 O ATOM 0 H GLU A 59 7.693 -4.856 2.244 1.00 0.00 H new ATOM 0 HA GLU A 59 9.717 -3.438 0.917 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.388 -6.140 0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.704 -5.578 -0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.201 -5.377 1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.884 -5.703 2.484 1.00 0.00 H new ATOM 923 N MET A 60 6.892 -3.843 -0.770 1.00 0.00 N ATOM 924 CA MET A 60 6.137 -3.385 -1.940 1.00 0.00 C ATOM 925 C MET A 60 6.007 -1.863 -1.937 1.00 0.00 C ATOM 926 O MET A 60 6.201 -1.214 -2.964 1.00 0.00 O ATOM 927 CB MET A 60 4.734 -4.006 -1.952 1.00 0.00 C ATOM 928 CG MET A 60 4.836 -5.493 -2.296 1.00 0.00 C ATOM 929 SD MET A 60 3.202 -6.258 -2.164 1.00 0.00 S ATOM 930 CE MET A 60 3.686 -7.919 -2.696 1.00 0.00 C ATOM 0 H MET A 60 6.364 -4.439 -0.132 1.00 0.00 H new ATOM 0 HA MET A 60 6.682 -3.699 -2.831 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.260 -3.879 -0.979 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.105 -3.496 -2.682 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.227 -5.617 -3.306 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.535 -5.986 -1.621 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.804 -8.558 -2.741 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.146 -7.865 -3.683 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.400 -8.335 -1.985 1.00 0.00 H new ATOM 940 N ILE A 61 5.676 -1.306 -0.767 1.00 0.00 N ATOM 941 CA ILE A 61 5.518 0.141 -0.622 1.00 0.00 C ATOM 942 C ILE A 61 6.785 0.879 -1.062 1.00 0.00 C ATOM 943 O ILE A 61 6.787 1.576 -2.075 1.00 0.00 O ATOM 944 CB ILE A 61 5.208 0.481 0.839 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.816 -0.047 1.189 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.256 1.996 1.042 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.801 -0.520 2.641 1.00 0.00 C ATOM 0 H ILE A 61 5.513 -1.835 0.090 1.00 0.00 H new ATOM 0 HA ILE A 61 4.694 0.461 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 61 5.950 0.017 1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.071 0.735 1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.550 -0.869 0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.035 2.231 2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.250 2.366 0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.518 2.473 0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.809 -0.896 2.891 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.535 -1.315 2.772 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.049 0.314 3.298 1.00 0.00 H new ATOM 959 N ASP A 62 7.855 0.724 -0.277 1.00 0.00 N ATOM 960 CA ASP A 62 9.133 1.384 -0.576 1.00 0.00 C ATOM 961 C ASP A 62 9.574 1.140 -2.026 1.00 0.00 C ATOM 962 O ASP A 62 10.176 2.016 -2.651 1.00 0.00 O ATOM 963 CB ASP A 62 10.229 0.876 0.369 1.00 0.00 C ATOM 964 CG ASP A 62 11.275 1.967 0.576 1.00 0.00 C ATOM 965 OD1 ASP A 62 11.096 2.767 1.481 1.00 0.00 O ATOM 966 OD2 ASP A 62 12.240 1.988 -0.171 1.00 0.00 O ATOM 0 H ASP A 62 7.864 0.151 0.567 1.00 0.00 H new ATOM 0 HA ASP A 62 8.983 2.454 -0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.793 0.590 1.326 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.697 -0.016 -0.047 1.00 0.00 H new ATOM 971 N GLU A 63 9.272 -0.054 -2.554 1.00 0.00 N ATOM 972 CA GLU A 63 9.646 -0.397 -3.932 1.00 0.00 C ATOM 973 C GLU A 63 8.945 0.521 -4.935 1.00 0.00 C ATOM 974 O GLU A 63 9.595 1.146 -5.774 1.00 0.00 O ATOM 975 CB GLU A 63 9.275 -1.851 -4.248 1.00 0.00 C ATOM 976 CG GLU A 63 10.430 -2.775 -3.856 1.00 0.00 C ATOM 977 CD GLU A 63 10.062 -4.219 -4.189 1.00 0.00 C ATOM 978 OE1 GLU A 63 10.349 -4.643 -5.296 1.00 0.00 O ATOM 979 OE2 GLU A 63 9.499 -4.880 -3.330 1.00 0.00 O ATOM 0 H GLU A 63 8.775 -0.791 -2.054 1.00 0.00 H new ATOM 0 HA GLU A 63 10.725 -0.268 -4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.372 -2.132 -3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.056 -1.958 -5.310 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.337 -2.487 -4.388 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.642 -2.679 -2.791 1.00 0.00 H new ATOM 986 N VAL A 64 7.613 0.591 -4.838 1.00 0.00 N ATOM 987 CA VAL A 64 6.826 1.435 -5.748 1.00 0.00 C ATOM 988 C VAL A 64 7.002 2.926 -5.433 1.00 0.00 C ATOM 989 O VAL A 64 6.710 3.778 -6.273 1.00 0.00 O ATOM 990 CB VAL A 64 5.332 1.085 -5.667 1.00 0.00 C ATOM 991 CG1 VAL A 64 5.134 -0.410 -5.929 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.789 1.438 -4.277 1.00 0.00 C ATOM 0 H VAL A 64 7.061 0.081 -4.148 1.00 0.00 H new ATOM 0 HA VAL A 64 7.196 1.240 -6.755 1.00 0.00 H new ATOM 0 HB VAL A 64 4.792 1.658 -6.421 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.073 -0.652 -5.870 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.508 -0.658 -6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.680 -0.986 -5.181 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.729 1.188 -4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.332 0.873 -3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.919 2.505 -4.096 1.00 0.00 H new ATOM 1002 N ASP A 65 7.468 3.233 -4.213 1.00 0.00 N ATOM 1003 CA ASP A 65 7.663 4.624 -3.805 1.00 0.00 C ATOM 1004 C ASP A 65 8.815 5.250 -4.595 1.00 0.00 C ATOM 1005 O ASP A 65 9.977 5.197 -4.187 1.00 0.00 O ATOM 1006 CB ASP A 65 7.960 4.708 -2.299 1.00 0.00 C ATOM 1007 CG ASP A 65 7.205 5.886 -1.681 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.307 6.982 -2.208 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.533 5.674 -0.684 1.00 0.00 O ATOM 0 H ASP A 65 7.713 2.543 -3.503 1.00 0.00 H new ATOM 0 HA ASP A 65 6.746 5.174 -4.013 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.665 3.780 -1.810 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.031 4.827 -2.137 1.00 0.00 H new ATOM 1014 N GLU A 66 8.467 5.831 -5.746 1.00 0.00 N ATOM 1015 CA GLU A 66 9.462 6.461 -6.624 1.00 0.00 C ATOM 1016 C GLU A 66 10.000 7.759 -6.018 1.00 0.00 C ATOM 1017 O GLU A 66 11.186 8.071 -6.148 1.00 0.00 O ATOM 1018 CB GLU A 66 8.847 6.774 -7.993 1.00 0.00 C ATOM 1019 CG GLU A 66 8.749 5.490 -8.824 1.00 0.00 C ATOM 1020 CD GLU A 66 10.010 5.327 -9.670 1.00 0.00 C ATOM 1021 OE1 GLU A 66 10.030 5.848 -10.774 1.00 0.00 O ATOM 1022 OE2 GLU A 66 10.935 4.683 -9.203 1.00 0.00 O ATOM 0 H GLU A 66 7.509 5.879 -6.092 1.00 0.00 H new ATOM 0 HA GLU A 66 10.285 5.755 -6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.857 7.212 -7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.457 7.511 -8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.626 4.629 -8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.870 5.528 -9.468 1.00 0.00 H new ATOM 1029 N ASP A 67 9.116 8.516 -5.365 1.00 0.00 N ATOM 1030 CA ASP A 67 9.511 9.789 -4.750 1.00 0.00 C ATOM 1031 C ASP A 67 10.128 9.569 -3.365 1.00 0.00 C ATOM 1032 O ASP A 67 11.124 10.206 -3.014 1.00 0.00 O ATOM 1033 CB ASP A 67 8.309 10.749 -4.628 1.00 0.00 C ATOM 1034 CG ASP A 67 7.058 10.000 -4.159 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.325 9.517 -5.008 1.00 0.00 O ATOM 1036 OD2 ASP A 67 6.850 9.923 -2.960 1.00 0.00 O ATOM 0 H ASP A 67 8.132 8.275 -5.248 1.00 0.00 H new ATOM 0 HA ASP A 67 10.258 10.239 -5.403 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.546 11.547 -3.924 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.116 11.221 -5.591 1.00 0.00 H new ATOM 1041 N GLY A 68 9.525 8.672 -2.582 1.00 0.00 N ATOM 1042 CA GLY A 68 10.018 8.382 -1.235 1.00 0.00 C ATOM 1043 C GLY A 68 9.618 9.491 -0.265 1.00 0.00 C ATOM 1044 O GLY A 68 10.443 9.977 0.513 1.00 0.00 O ATOM 0 H GLY A 68 8.700 8.137 -2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.615 7.429 -0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.103 8.281 -1.253 1.00 0.00 H new ATOM 1048 N SER A 69 8.344 9.891 -0.327 1.00 0.00 N ATOM 1049 CA SER A 69 7.838 10.953 0.545 1.00 0.00 C ATOM 1050 C SER A 69 7.207 10.370 1.811 1.00 0.00 C ATOM 1051 O SER A 69 7.502 10.809 2.925 1.00 0.00 O ATOM 1052 CB SER A 69 6.794 11.805 -0.189 1.00 0.00 C ATOM 1053 OG SER A 69 5.708 10.981 -0.605 1.00 0.00 O ATOM 0 H SER A 69 7.651 9.500 -0.965 1.00 0.00 H new ATOM 0 HA SER A 69 8.686 11.578 0.825 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.432 12.597 0.466 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.248 12.289 -1.054 1.00 0.00 H new ATOM 0 HG SER A 69 5.944 10.525 -1.439 1.00 0.00 H new ATOM 1059 N GLY A 70 6.329 9.381 1.626 1.00 0.00 N ATOM 1060 CA GLY A 70 5.647 8.743 2.755 1.00 0.00 C ATOM 1061 C GLY A 70 4.215 8.351 2.382 1.00 0.00 C ATOM 1062 O GLY A 70 3.620 7.471 3.007 1.00 0.00 O ATOM 0 H GLY A 70 6.075 9.007 0.712 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.201 7.857 3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.631 9.423 3.606 1.00 0.00 H new ATOM 1066 N THR A 71 3.667 9.013 1.356 1.00 0.00 N ATOM 1067 CA THR A 71 2.308 8.727 0.900 1.00 0.00 C ATOM 1068 C THR A 71 2.348 8.000 -0.444 1.00 0.00 C ATOM 1069 O THR A 71 3.284 8.174 -1.230 1.00 0.00 O ATOM 1070 CB THR A 71 1.504 10.026 0.747 1.00 0.00 C ATOM 1071 OG1 THR A 71 2.109 10.855 -0.242 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.464 10.765 2.087 1.00 0.00 C ATOM 0 H THR A 71 4.143 9.746 0.830 1.00 0.00 H new ATOM 0 HA THR A 71 1.825 8.095 1.645 1.00 0.00 H new ATOM 0 HB THR A 71 0.487 9.785 0.437 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.417 11.378 -0.698 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.893 11.687 1.977 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.990 10.132 2.838 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.480 11.003 2.402 1.00 0.00 H new ATOM 1080 N VAL A 72 1.326 7.183 -0.697 1.00 0.00 N ATOM 1081 CA VAL A 72 1.256 6.433 -1.951 1.00 0.00 C ATOM 1082 C VAL A 72 0.297 7.112 -2.921 1.00 0.00 C ATOM 1083 O VAL A 72 -0.900 7.231 -2.650 1.00 0.00 O ATOM 1084 CB VAL A 72 0.783 4.996 -1.703 1.00 0.00 C ATOM 1085 CG1 VAL A 72 0.918 4.181 -2.993 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.638 4.355 -0.605 1.00 0.00 C ATOM 0 H VAL A 72 0.545 7.025 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 72 2.257 6.409 -2.381 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.261 5.010 -1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.581 3.160 -2.815 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.308 4.633 -3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.961 4.169 -3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.300 3.334 -0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.682 4.343 -0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.541 4.932 0.315 1.00 0.00 H new ATOM 1096 N ASP A 73 0.834 7.540 -4.064 1.00 0.00 N ATOM 1097 CA ASP A 73 0.017 8.192 -5.084 1.00 0.00 C ATOM 1098 C ASP A 73 -0.640 7.133 -5.967 1.00 0.00 C ATOM 1099 O ASP A 73 -0.416 5.935 -5.790 1.00 0.00 O ATOM 1100 CB ASP A 73 0.873 9.114 -5.969 1.00 0.00 C ATOM 1101 CG ASP A 73 1.427 10.285 -5.153 1.00 0.00 C ATOM 1102 OD1 ASP A 73 0.676 10.866 -4.385 1.00 0.00 O ATOM 1103 OD2 ASP A 73 2.596 10.593 -5.318 1.00 0.00 O ATOM 0 H ASP A 73 1.821 7.448 -4.304 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.742 8.790 -4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.695 8.547 -6.405 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.273 9.492 -6.796 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.457 7.586 -6.916 1.00 0.00 N ATOM 1109 CA PHE A 74 -2.146 6.664 -7.821 1.00 0.00 C ATOM 1110 C PHE A 74 -1.144 5.912 -8.705 1.00 0.00 C ATOM 1111 O PHE A 74 -1.361 4.749 -9.048 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.137 7.427 -8.708 1.00 0.00 C ATOM 1113 CG PHE A 74 -4.161 6.475 -9.284 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.652 5.409 -8.517 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.622 6.665 -10.590 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.602 4.538 -9.059 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.573 5.794 -11.131 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.062 4.730 -10.366 1.00 0.00 C ATOM 0 H PHE A 74 -1.657 8.573 -7.079 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.688 5.941 -7.212 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.636 8.201 -8.126 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.603 7.930 -9.514 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.297 5.261 -7.508 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.243 7.485 -11.182 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.981 3.717 -8.468 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.930 5.943 -12.139 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.795 4.056 -10.785 1.00 0.00 H new ATOM 1128 N ASP A 75 -0.041 6.583 -9.057 1.00 0.00 N ATOM 1129 CA ASP A 75 0.994 5.965 -9.889 1.00 0.00 C ATOM 1130 C ASP A 75 1.720 4.871 -9.106 1.00 0.00 C ATOM 1131 O ASP A 75 1.985 3.789 -9.631 1.00 0.00 O ATOM 1132 CB ASP A 75 2.012 7.014 -10.347 1.00 0.00 C ATOM 1133 CG ASP A 75 1.542 7.646 -11.653 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.806 8.617 -11.587 1.00 0.00 O ATOM 1135 OD2 ASP A 75 1.923 7.150 -12.701 1.00 0.00 O ATOM 0 H ASP A 75 0.156 7.545 -8.781 1.00 0.00 H new ATOM 0 HA ASP A 75 0.510 5.528 -10.762 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.129 7.781 -9.581 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.989 6.551 -10.486 1.00 0.00 H new ATOM 1140 N GLU A 76 2.019 5.165 -7.837 1.00 0.00 N ATOM 1141 CA GLU A 76 2.698 4.200 -6.963 1.00 0.00 C ATOM 1142 C GLU A 76 1.735 3.075 -6.568 1.00 0.00 C ATOM 1143 O GLU A 76 2.155 1.962 -6.246 1.00 0.00 O ATOM 1144 CB GLU A 76 3.205 4.881 -5.683 1.00 0.00 C ATOM 1145 CG GLU A 76 3.858 6.226 -6.021 1.00 0.00 C ATOM 1146 CD GLU A 76 4.197 6.975 -4.731 1.00 0.00 C ATOM 1147 OE1 GLU A 76 4.972 6.455 -3.946 1.00 0.00 O ATOM 1148 OE2 GLU A 76 3.676 8.058 -4.543 1.00 0.00 O ATOM 0 H GLU A 76 1.804 6.058 -7.393 1.00 0.00 H new ATOM 0 HA GLU A 76 3.545 3.792 -7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.376 5.034 -4.992 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.925 4.235 -5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.763 6.065 -6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.184 6.824 -6.634 1.00 0.00 H new ATOM 1155 N PHE A 77 0.438 3.394 -6.597 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.606 2.434 -6.243 1.00 0.00 C ATOM 1157 C PHE A 77 -0.829 1.415 -7.370 1.00 0.00 C ATOM 1158 O PHE A 77 -1.052 0.231 -7.110 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.915 3.189 -5.965 1.00 0.00 C ATOM 1160 CG PHE A 77 -3.020 2.223 -5.611 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -3.085 1.669 -4.327 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.984 1.889 -6.569 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -4.114 0.778 -4.002 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -5.012 0.998 -6.244 1.00 0.00 C ATOM 1165 CZ PHE A 77 -5.077 0.442 -4.960 1.00 0.00 C ATOM 0 H PHE A 77 0.087 4.314 -6.863 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.289 1.891 -5.352 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.767 3.896 -5.149 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.200 3.770 -6.842 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.342 1.929 -3.588 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.934 2.319 -7.558 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.165 0.350 -3.012 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.756 0.739 -6.983 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.871 -0.246 -4.709 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.781 1.887 -8.620 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.997 1.010 -9.775 1.00 0.00 C ATOM 1177 C LEU A 78 0.239 0.165 -10.098 1.00 0.00 C ATOM 1178 O LEU A 78 0.115 -1.011 -10.448 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.358 1.839 -11.002 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.748 2.474 -10.965 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.687 3.858 -11.607 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.734 1.589 -11.734 1.00 0.00 C ATOM 0 H LEU A 78 -0.596 2.862 -8.857 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.814 0.337 -9.515 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.617 2.629 -11.119 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.288 1.204 -11.885 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.082 2.569 -9.932 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.677 4.314 -11.583 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.985 4.484 -11.056 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.356 3.765 -12.641 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.725 2.041 -11.708 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.406 1.493 -12.769 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.773 0.602 -11.273 1.00 0.00 H new ATOM 1194 N VAL A 79 1.429 0.770 -9.988 1.00 0.00 N ATOM 1195 CA VAL A 79 2.677 0.047 -10.285 1.00 0.00 C ATOM 1196 C VAL A 79 2.850 -1.162 -9.363 1.00 0.00 C ATOM 1197 O VAL A 79 3.509 -2.132 -9.725 1.00 0.00 O ATOM 1198 CB VAL A 79 3.911 0.950 -10.151 1.00 0.00 C ATOM 1199 CG1 VAL A 79 3.952 1.945 -11.314 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.877 1.713 -8.823 1.00 0.00 C ATOM 0 H VAL A 79 1.556 1.741 -9.701 1.00 0.00 H new ATOM 0 HA VAL A 79 2.596 -0.288 -11.319 1.00 0.00 H new ATOM 0 HB VAL A 79 4.804 0.325 -10.173 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.829 2.584 -11.215 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.004 1.401 -12.257 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.052 2.560 -11.299 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.760 2.348 -8.745 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.980 2.331 -8.782 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.867 1.003 -7.996 1.00 0.00 H new ATOM 1210 N MET A 80 2.248 -1.092 -8.172 1.00 0.00 N ATOM 1211 CA MET A 80 2.328 -2.189 -7.199 1.00 0.00 C ATOM 1212 C MET A 80 2.092 -3.553 -7.865 1.00 0.00 C ATOM 1213 O MET A 80 2.725 -4.546 -7.501 1.00 0.00 O ATOM 1214 CB MET A 80 1.278 -1.989 -6.101 1.00 0.00 C ATOM 1215 CG MET A 80 1.881 -1.185 -4.946 1.00 0.00 C ATOM 1216 SD MET A 80 0.549 -0.558 -3.892 1.00 0.00 S ATOM 1217 CE MET A 80 1.462 0.824 -3.166 1.00 0.00 C ATOM 0 H MET A 80 1.701 -0.290 -7.858 1.00 0.00 H new ATOM 0 HA MET A 80 3.331 -2.177 -6.773 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.411 -1.467 -6.505 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.928 -2.956 -5.739 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.555 -1.813 -4.364 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.473 -0.356 -5.335 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.901 1.228 -2.323 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.436 0.476 -2.821 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.600 1.603 -3.916 1.00 0.00 H new ATOM 1227 N MET A 81 1.174 -3.590 -8.841 1.00 0.00 N ATOM 1228 CA MET A 81 0.861 -4.838 -9.549 1.00 0.00 C ATOM 1229 C MET A 81 1.999 -5.240 -10.493 1.00 0.00 C ATOM 1230 O MET A 81 2.558 -6.332 -10.374 1.00 0.00 O ATOM 1231 CB MET A 81 -0.431 -4.685 -10.361 1.00 0.00 C ATOM 1232 CG MET A 81 -1.640 -4.948 -9.461 1.00 0.00 C ATOM 1233 SD MET A 81 -1.860 -6.734 -9.252 1.00 0.00 S ATOM 1234 CE MET A 81 -2.693 -6.675 -7.647 1.00 0.00 C ATOM 0 H MET A 81 0.641 -2.779 -9.155 1.00 0.00 H new ATOM 0 HA MET A 81 0.733 -5.617 -8.797 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.491 -3.681 -10.782 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.430 -5.383 -11.199 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.495 -4.473 -8.491 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.536 -4.509 -9.900 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.926 -7.689 -7.321 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.040 -6.199 -6.915 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.616 -6.101 -7.737 1.00 0.00 H new ATOM 1244 N VAL A 82 2.327 -4.350 -11.436 1.00 0.00 N ATOM 1245 CA VAL A 82 3.400 -4.618 -12.412 1.00 0.00 C ATOM 1246 C VAL A 82 4.750 -4.849 -11.718 1.00 0.00 C ATOM 1247 O VAL A 82 5.573 -5.632 -12.193 1.00 0.00 O ATOM 1248 CB VAL A 82 3.548 -3.452 -13.402 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.324 -3.388 -14.320 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.678 -2.131 -12.636 1.00 0.00 C ATOM 0 H VAL A 82 1.872 -3.444 -11.548 1.00 0.00 H new ATOM 0 HA VAL A 82 3.116 -5.523 -12.950 1.00 0.00 H new ATOM 0 HB VAL A 82 4.443 -3.612 -14.003 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.436 -2.559 -15.019 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.237 -4.322 -14.876 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.427 -3.238 -13.720 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.783 -1.309 -13.344 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.788 -1.974 -12.027 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.556 -2.169 -11.992 1.00 0.00 H new ATOM 1260 N ARG A 83 4.966 -4.160 -10.590 1.00 0.00 N ATOM 1261 CA ARG A 83 6.216 -4.297 -9.834 1.00 0.00 C ATOM 1262 C ARG A 83 6.394 -5.732 -9.329 1.00 0.00 C ATOM 1263 O ARG A 83 7.519 -6.210 -9.178 1.00 0.00 O ATOM 1264 CB ARG A 83 6.223 -3.345 -8.632 1.00 0.00 C ATOM 1265 CG ARG A 83 6.372 -1.900 -9.119 1.00 0.00 C ATOM 1266 CD ARG A 83 7.817 -1.435 -8.922 1.00 0.00 C ATOM 1267 NE ARG A 83 7.896 0.027 -8.909 1.00 0.00 N ATOM 1268 CZ ARG A 83 9.061 0.667 -8.744 1.00 0.00 C ATOM 1269 NH1 ARG A 83 10.181 -0.001 -8.592 1.00 0.00 N ATOM 1270 NH2 ARG A 83 9.082 1.977 -8.732 1.00 0.00 N ATOM 0 H ARG A 83 4.296 -3.507 -10.184 1.00 0.00 H new ATOM 0 HA ARG A 83 7.037 -4.047 -10.506 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.299 -3.454 -8.064 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.042 -3.599 -7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.098 -1.831 -10.172 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.692 -1.249 -8.569 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.207 -1.833 -7.985 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.443 -1.830 -9.722 1.00 0.00 H new ATOM 0 HE ARG A 83 7.042 0.572 -9.029 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.171 -1.021 -8.599 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.061 0.500 -8.467 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.215 2.502 -8.848 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.965 2.472 -8.607 1.00 0.00 H new ATOM 1284 N CYS A 84 5.268 -6.411 -9.076 1.00 0.00 N ATOM 1285 CA CYS A 84 5.307 -7.796 -8.594 1.00 0.00 C ATOM 1286 C CYS A 84 5.811 -8.742 -9.688 1.00 0.00 C ATOM 1287 O CYS A 84 6.439 -9.761 -9.394 1.00 0.00 O ATOM 1288 CB CYS A 84 3.915 -8.255 -8.147 1.00 0.00 C ATOM 1289 SG CYS A 84 3.503 -7.488 -6.560 1.00 0.00 S ATOM 0 H CYS A 84 4.330 -6.029 -9.195 1.00 0.00 H new ATOM 0 HA CYS A 84 5.991 -7.826 -7.746 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.173 -7.983 -8.897 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.891 -9.341 -8.055 1.00 0.00 H new ATOM 0 HG CYS A 84 3.155 -6.250 -6.753 1.00 0.00 H new