USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=12 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 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= -0.594 K(o=-0.59,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -3.31 K(o=-3.3,f=-5.3!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.00883 X(o=0.0088,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0.176 X(o=0.18,f=0) USER MOD Single : A 35 CYS SG : rot 170:sc= -1.13 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.029 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 45 MET CE :methyl 157:sc= -3.02! (180deg=-5.41!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.3!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.765 USER MOD Single : A 58 GLN : amide:sc= -0.578 X(o=-0.58,f=-0.12) USER MOD Single : A 60 MET CE :methyl -143:sc= -0.0418 (180deg=-1.31) USER MOD Single : A 69 SER OG : rot -83:sc= 0.705 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -176:sc= 0 (180deg=-0.00657) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 9.828 -4.900 -18.290 1.00 0.00 N ATOM 47 CA ILE A 4 8.558 -5.530 -17.906 1.00 0.00 C ATOM 48 C ILE A 4 7.432 -4.495 -17.847 1.00 0.00 C ATOM 49 O ILE A 4 6.269 -4.829 -18.043 1.00 0.00 O ATOM 50 CB ILE A 4 8.668 -6.237 -16.544 1.00 0.00 C ATOM 51 CG1 ILE A 4 9.051 -5.229 -15.449 1.00 0.00 C ATOM 52 CG2 ILE A 4 9.732 -7.335 -16.624 1.00 0.00 C ATOM 53 CD1 ILE A 4 7.784 -4.622 -14.842 1.00 0.00 C ATOM 0 HA ILE A 4 8.327 -6.274 -18.669 1.00 0.00 H new ATOM 0 HB ILE A 4 7.703 -6.678 -16.295 1.00 0.00 H new ATOM 0 HG12 ILE A 4 9.636 -5.724 -14.674 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.678 -4.442 -15.868 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.811 -7.836 -15.659 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.450 -8.060 -17.388 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.694 -6.892 -16.882 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.059 -3.908 -14.066 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.216 -4.112 -15.620 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.174 -5.413 -14.407 1.00 0.00 H new ATOM 65 N TYR A 5 7.797 -3.234 -17.580 1.00 0.00 N ATOM 66 CA TYR A 5 6.811 -2.153 -17.509 1.00 0.00 C ATOM 67 C TYR A 5 6.225 -1.875 -18.891 1.00 0.00 C ATOM 68 O TYR A 5 5.058 -1.501 -19.021 1.00 0.00 O ATOM 69 CB TYR A 5 7.456 -0.871 -16.971 1.00 0.00 C ATOM 70 CG TYR A 5 8.035 -1.145 -15.604 1.00 0.00 C ATOM 71 CD1 TYR A 5 7.186 -1.259 -14.497 1.00 0.00 C ATOM 72 CD2 TYR A 5 9.418 -1.295 -15.447 1.00 0.00 C ATOM 73 CE1 TYR A 5 7.723 -1.524 -13.231 1.00 0.00 C ATOM 74 CE2 TYR A 5 9.953 -1.560 -14.184 1.00 0.00 C ATOM 75 CZ TYR A 5 9.107 -1.674 -13.074 1.00 0.00 C ATOM 76 OH TYR A 5 9.635 -1.938 -11.827 1.00 0.00 O ATOM 0 H TYR A 5 8.759 -2.941 -17.411 1.00 0.00 H new ATOM 0 HA TYR A 5 6.015 -2.467 -16.834 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.238 -0.531 -17.649 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.715 -0.073 -16.913 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.119 -1.143 -14.619 1.00 0.00 H new ATOM 0 HD2 TYR A 5 10.071 -1.206 -16.302 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.070 -1.613 -12.375 1.00 0.00 H new ATOM 0 HE2 TYR A 5 11.020 -1.677 -14.064 1.00 0.00 H new ATOM 0 HH TYR A 5 10.610 -2.014 -11.894 1.00 0.00 H new ATOM 86 N LYS A 6 7.049 -2.079 -19.922 1.00 0.00 N ATOM 87 CA LYS A 6 6.610 -1.864 -21.305 1.00 0.00 C ATOM 88 C LYS A 6 5.772 -3.049 -21.769 1.00 0.00 C ATOM 89 O LYS A 6 4.776 -2.886 -22.474 1.00 0.00 O ATOM 90 CB LYS A 6 7.813 -1.693 -22.245 1.00 0.00 C ATOM 91 CG LYS A 6 8.850 -0.758 -21.611 1.00 0.00 C ATOM 92 CD LYS A 6 8.149 0.478 -21.038 1.00 0.00 C ATOM 93 CE LYS A 6 9.133 1.276 -20.179 1.00 0.00 C ATOM 94 NZ LYS A 6 8.671 2.690 -20.073 1.00 0.00 N ATOM 0 H LYS A 6 8.016 -2.390 -19.828 1.00 0.00 H new ATOM 0 HA LYS A 6 6.013 -0.952 -21.335 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.265 -2.664 -22.450 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.482 -1.287 -23.201 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.390 -1.280 -20.821 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.587 -0.457 -22.356 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.770 1.101 -21.848 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.290 0.176 -20.439 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.208 0.832 -19.186 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.129 1.240 -20.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.340 3.231 -19.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.621 3.111 -21.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.729 2.715 -19.633 1.00 0.00 H new ATOM 108 N ALA A 7 6.182 -4.243 -21.343 1.00 0.00 N ATOM 109 CA ALA A 7 5.461 -5.464 -21.691 1.00 0.00 C ATOM 110 C ALA A 7 4.176 -5.583 -20.864 1.00 0.00 C ATOM 111 O ALA A 7 3.210 -6.218 -21.291 1.00 0.00 O ATOM 112 CB ALA A 7 6.338 -6.691 -21.426 1.00 0.00 C ATOM 0 H ALA A 7 7.006 -4.390 -20.759 1.00 0.00 H new ATOM 0 HA ALA A 7 5.207 -5.417 -22.750 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.789 -7.595 -21.690 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.244 -6.628 -22.029 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.607 -6.725 -20.370 1.00 0.00 H new ATOM 118 N ALA A 8 4.178 -4.966 -19.672 1.00 0.00 N ATOM 119 CA ALA A 8 3.017 -5.011 -18.787 1.00 0.00 C ATOM 120 C ALA A 8 1.980 -3.957 -19.173 1.00 0.00 C ATOM 121 O ALA A 8 0.782 -4.175 -18.995 1.00 0.00 O ATOM 122 CB ALA A 8 3.445 -4.775 -17.337 1.00 0.00 C ATOM 0 H ALA A 8 4.968 -4.435 -19.306 1.00 0.00 H new ATOM 0 HA ALA A 8 2.569 -6.000 -18.888 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.569 -4.811 -16.689 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.152 -5.548 -17.036 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.919 -3.797 -17.252 1.00 0.00 H new ATOM 128 N VAL A 9 2.442 -2.812 -19.700 1.00 0.00 N ATOM 129 CA VAL A 9 1.523 -1.740 -20.099 1.00 0.00 C ATOM 130 C VAL A 9 0.481 -2.246 -21.106 1.00 0.00 C ATOM 131 O VAL A 9 -0.663 -1.787 -21.110 1.00 0.00 O ATOM 132 CB VAL A 9 2.300 -0.549 -20.692 1.00 0.00 C ATOM 133 CG1 VAL A 9 2.659 -0.816 -22.157 1.00 0.00 C ATOM 134 CG2 VAL A 9 1.439 0.715 -20.605 1.00 0.00 C ATOM 0 H VAL A 9 3.429 -2.608 -19.857 1.00 0.00 H new ATOM 0 HA VAL A 9 0.997 -1.406 -19.204 1.00 0.00 H new ATOM 0 HB VAL A 9 3.220 -0.414 -20.123 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.207 0.036 -22.558 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.279 -1.710 -22.223 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.746 -0.965 -22.734 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.988 1.558 -21.024 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.517 0.567 -21.167 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.199 0.921 -19.562 1.00 0.00 H new ATOM 144 N GLU A 10 0.886 -3.205 -21.945 1.00 0.00 N ATOM 145 CA GLU A 10 -0.021 -3.778 -22.943 1.00 0.00 C ATOM 146 C GLU A 10 -0.958 -4.816 -22.307 1.00 0.00 C ATOM 147 O GLU A 10 -2.006 -5.139 -22.869 1.00 0.00 O ATOM 148 CB GLU A 10 0.776 -4.454 -24.066 1.00 0.00 C ATOM 149 CG GLU A 10 1.527 -3.392 -24.876 1.00 0.00 C ATOM 150 CD GLU A 10 2.726 -4.034 -25.570 1.00 0.00 C ATOM 151 OE1 GLU A 10 3.771 -4.125 -24.944 1.00 0.00 O ATOM 152 OE2 GLU A 10 2.583 -4.423 -26.718 1.00 0.00 O ATOM 0 H GLU A 10 1.827 -3.598 -21.953 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.616 -2.961 -23.352 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.481 -5.170 -23.644 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.104 -5.014 -24.716 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.862 -2.945 -25.615 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.861 -2.588 -24.220 1.00 0.00 H new ATOM 159 N GLN A 11 -0.569 -5.334 -21.134 1.00 0.00 N ATOM 160 CA GLN A 11 -1.381 -6.337 -20.437 1.00 0.00 C ATOM 161 C GLN A 11 -2.421 -5.671 -19.536 1.00 0.00 C ATOM 162 O GLN A 11 -3.566 -6.122 -19.461 1.00 0.00 O ATOM 163 CB GLN A 11 -0.498 -7.250 -19.579 1.00 0.00 C ATOM 164 CG GLN A 11 0.534 -7.954 -20.464 1.00 0.00 C ATOM 165 CD GLN A 11 1.238 -9.047 -19.664 1.00 0.00 C ATOM 166 OE1 GLN A 11 1.123 -10.230 -19.987 1.00 0.00 O ATOM 167 NE2 GLN A 11 1.968 -8.724 -18.629 1.00 0.00 N ATOM 0 H GLN A 11 0.293 -5.078 -20.653 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.889 -6.929 -21.198 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.007 -6.665 -18.810 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.114 -7.988 -19.065 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.044 -8.387 -21.336 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.263 -7.233 -20.833 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.065 -7.745 -18.359 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.440 -9.451 -18.091 1.00 0.00 H new ATOM 176 N LEU A 12 -2.010 -4.598 -18.851 1.00 0.00 N ATOM 177 CA LEU A 12 -2.915 -3.879 -17.953 1.00 0.00 C ATOM 178 C LEU A 12 -4.128 -3.355 -18.720 1.00 0.00 C ATOM 179 O LEU A 12 -3.996 -2.794 -19.810 1.00 0.00 O ATOM 180 CB LEU A 12 -2.194 -2.706 -17.288 1.00 0.00 C ATOM 181 CG LEU A 12 -1.024 -3.095 -16.377 1.00 0.00 C ATOM 182 CD1 LEU A 12 0.218 -2.299 -16.775 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.382 -2.793 -14.920 1.00 0.00 C ATOM 0 H LEU A 12 -1.067 -4.213 -18.901 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.249 -4.577 -17.185 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.822 -2.040 -18.066 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.918 -2.140 -16.702 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.822 -4.161 -16.484 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.050 -2.575 -16.127 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.475 -2.520 -17.811 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.016 -1.233 -16.671 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.548 -3.071 -14.275 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.588 -1.728 -14.809 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.266 -3.365 -14.637 1.00 0.00 H new ATOM 195 N THR A 13 -5.310 -3.558 -18.137 1.00 0.00 N ATOM 196 CA THR A 13 -6.559 -3.117 -18.768 1.00 0.00 C ATOM 197 C THR A 13 -7.273 -2.086 -17.903 1.00 0.00 C ATOM 198 O THR A 13 -6.866 -1.807 -16.775 1.00 0.00 O ATOM 199 CB THR A 13 -7.510 -4.305 -18.989 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.254 -5.318 -18.024 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.311 -4.869 -20.395 1.00 0.00 C ATOM 0 H THR A 13 -5.431 -4.021 -17.236 1.00 0.00 H new ATOM 0 HA THR A 13 -6.294 -2.672 -19.727 1.00 0.00 H new ATOM 0 HB THR A 13 -8.539 -3.963 -18.880 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.865 -6.071 -18.170 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.986 -5.711 -20.548 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.524 -4.094 -21.131 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.280 -5.205 -20.510 1.00 0.00 H new ATOM 209 N ASP A 14 -8.363 -1.540 -18.442 1.00 0.00 N ATOM 210 CA ASP A 14 -9.161 -0.557 -17.712 1.00 0.00 C ATOM 211 C ASP A 14 -9.744 -1.184 -16.441 1.00 0.00 C ATOM 212 O ASP A 14 -9.973 -0.496 -15.444 1.00 0.00 O ATOM 213 CB ASP A 14 -10.309 -0.054 -18.588 1.00 0.00 C ATOM 214 CG ASP A 14 -10.873 1.242 -18.012 1.00 0.00 C ATOM 215 OD1 ASP A 14 -10.214 2.261 -18.137 1.00 0.00 O ATOM 216 OD2 ASP A 14 -11.957 1.196 -17.454 1.00 0.00 O ATOM 0 H ASP A 14 -8.711 -1.760 -19.375 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.513 0.277 -17.443 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.955 0.114 -19.605 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.093 -0.809 -18.644 1.00 0.00 H new ATOM 221 N GLU A 15 -9.980 -2.503 -16.496 1.00 0.00 N ATOM 222 CA GLU A 15 -10.537 -3.237 -15.355 1.00 0.00 C ATOM 223 C GLU A 15 -9.608 -3.159 -14.139 1.00 0.00 C ATOM 224 O GLU A 15 -10.066 -2.940 -13.016 1.00 0.00 O ATOM 225 CB GLU A 15 -10.750 -4.713 -15.713 1.00 0.00 C ATOM 226 CG GLU A 15 -11.982 -4.863 -16.614 1.00 0.00 C ATOM 227 CD GLU A 15 -11.585 -4.649 -18.072 1.00 0.00 C ATOM 228 OE1 GLU A 15 -11.006 -5.555 -18.650 1.00 0.00 O ATOM 229 OE2 GLU A 15 -11.867 -3.581 -18.592 1.00 0.00 O ATOM 0 H GLU A 15 -9.794 -3.080 -17.316 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.492 -2.773 -15.109 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.868 -5.103 -16.221 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.880 -5.301 -14.804 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.418 -5.854 -16.488 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.745 -4.140 -16.325 1.00 0.00 H new ATOM 236 N GLN A 16 -8.301 -3.342 -14.374 1.00 0.00 N ATOM 237 CA GLN A 16 -7.321 -3.290 -13.280 1.00 0.00 C ATOM 238 C GLN A 16 -7.309 -1.903 -12.627 1.00 0.00 C ATOM 239 O GLN A 16 -7.092 -1.780 -11.420 1.00 0.00 O ATOM 240 CB GLN A 16 -5.911 -3.656 -13.784 1.00 0.00 C ATOM 241 CG GLN A 16 -5.257 -2.467 -14.505 1.00 0.00 C ATOM 242 CD GLN A 16 -4.271 -1.754 -13.577 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.151 -2.090 -12.400 1.00 0.00 O ATOM 244 NE2 GLN A 16 -3.546 -0.775 -14.046 1.00 0.00 N ATOM 0 H GLN A 16 -7.903 -3.524 -15.295 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.618 -4.024 -12.531 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.289 -3.963 -12.943 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.973 -4.507 -14.462 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.738 -2.816 -15.398 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.025 -1.768 -14.836 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.641 -0.492 -15.021 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.884 -0.293 -13.437 1.00 0.00 H new ATOM 253 N LYS A 17 -7.565 -0.865 -13.432 1.00 0.00 N ATOM 254 CA LYS A 17 -7.604 0.502 -12.912 1.00 0.00 C ATOM 255 C LYS A 17 -8.942 0.765 -12.221 1.00 0.00 C ATOM 256 O LYS A 17 -9.016 1.555 -11.287 1.00 0.00 O ATOM 257 CB LYS A 17 -7.416 1.522 -14.037 1.00 0.00 C ATOM 258 CG LYS A 17 -5.934 1.604 -14.410 1.00 0.00 C ATOM 259 CD LYS A 17 -5.738 1.092 -15.839 1.00 0.00 C ATOM 260 CE LYS A 17 -4.526 1.781 -16.472 1.00 0.00 C ATOM 261 NZ LYS A 17 -4.936 2.438 -17.745 1.00 0.00 N ATOM 0 H LYS A 17 -7.746 -0.945 -14.433 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.790 0.609 -12.195 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.005 1.232 -14.907 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.777 2.500 -13.719 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.584 2.633 -14.330 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.340 1.011 -13.715 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.592 0.012 -15.832 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.631 1.289 -16.432 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.115 2.520 -15.785 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.739 1.052 -16.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.113 2.906 -18.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.309 1.722 -18.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.673 3.145 -17.549 1.00 0.00 H new ATOM 275 N ASN A 18 -9.998 0.089 -12.694 1.00 0.00 N ATOM 276 CA ASN A 18 -11.335 0.251 -12.115 1.00 0.00 C ATOM 277 C ASN A 18 -11.359 -0.240 -10.666 1.00 0.00 C ATOM 278 O ASN A 18 -11.893 0.435 -9.783 1.00 0.00 O ATOM 279 CB ASN A 18 -12.371 -0.533 -12.929 1.00 0.00 C ATOM 280 CG ASN A 18 -13.399 0.433 -13.513 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.450 0.664 -12.915 1.00 0.00 O ATOM 282 ND2 ASN A 18 -13.156 1.020 -14.654 1.00 0.00 N ATOM 0 H ASN A 18 -9.951 -0.570 -13.471 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.583 1.312 -12.139 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.878 -1.084 -13.730 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.867 -1.268 -12.295 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.837 1.669 -15.049 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.286 0.829 -15.150 1.00 0.00 H new ATOM 289 N GLU A 19 -10.770 -1.419 -10.431 1.00 0.00 N ATOM 290 CA GLU A 19 -10.723 -1.990 -9.079 1.00 0.00 C ATOM 291 C GLU A 19 -9.827 -1.138 -8.182 1.00 0.00 C ATOM 292 O GLU A 19 -10.224 -0.736 -7.087 1.00 0.00 O ATOM 293 CB GLU A 19 -10.170 -3.420 -9.103 1.00 0.00 C ATOM 294 CG GLU A 19 -11.044 -4.306 -9.994 1.00 0.00 C ATOM 295 CD GLU A 19 -10.645 -5.766 -9.803 1.00 0.00 C ATOM 296 OE1 GLU A 19 -9.775 -6.223 -10.527 1.00 0.00 O ATOM 297 OE2 GLU A 19 -11.215 -6.408 -8.933 1.00 0.00 O ATOM 0 H GLU A 19 -10.325 -1.990 -11.149 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.741 -2.006 -8.691 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.145 -3.416 -9.474 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.141 -3.824 -8.091 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.096 -4.169 -9.742 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.926 -4.019 -11.039 1.00 0.00 H new ATOM 304 N PHE A 20 -8.611 -0.870 -8.671 1.00 0.00 N ATOM 305 CA PHE A 20 -7.641 -0.063 -7.928 1.00 0.00 C ATOM 306 C PHE A 20 -8.179 1.348 -7.666 1.00 0.00 C ATOM 307 O PHE A 20 -7.898 1.940 -6.626 1.00 0.00 O ATOM 308 CB PHE A 20 -6.325 0.046 -8.713 1.00 0.00 C ATOM 309 CG PHE A 20 -5.567 -1.271 -8.693 1.00 0.00 C ATOM 310 CD1 PHE A 20 -5.981 -2.329 -7.868 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.440 -1.426 -9.505 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.266 -3.533 -7.863 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.727 -2.629 -9.499 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.140 -3.683 -8.679 1.00 0.00 C ATOM 0 H PHE A 20 -8.277 -1.200 -9.576 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.464 -0.559 -6.974 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.535 0.333 -9.743 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.705 0.833 -8.283 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.850 -2.214 -7.238 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.119 -0.613 -10.140 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.584 -4.347 -7.228 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.857 -2.744 -10.128 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.590 -4.612 -8.676 1.00 0.00 H new ATOM 324 N LYS A 21 -8.952 1.878 -8.624 1.00 0.00 N ATOM 325 CA LYS A 21 -9.524 3.223 -8.491 1.00 0.00 C ATOM 326 C LYS A 21 -10.512 3.283 -7.330 1.00 0.00 C ATOM 327 O LYS A 21 -10.544 4.262 -6.588 1.00 0.00 O ATOM 328 CB LYS A 21 -10.243 3.641 -9.782 1.00 0.00 C ATOM 329 CG LYS A 21 -10.776 5.073 -9.648 1.00 0.00 C ATOM 330 CD LYS A 21 -9.604 6.044 -9.480 1.00 0.00 C ATOM 331 CE LYS A 21 -10.081 7.474 -9.744 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.911 8.344 -10.055 1.00 0.00 N ATOM 0 H LYS A 21 -9.194 1.400 -9.492 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.700 3.910 -8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.557 3.578 -10.627 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.066 2.956 -9.987 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.358 5.339 -10.530 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.446 5.144 -8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.196 5.966 -8.472 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.801 5.784 -10.170 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.786 7.485 -10.575 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.610 7.858 -8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.238 9.315 -10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.254 8.343 -9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.424 7.982 -10.899 1.00 0.00 H new ATOM 346 N ALA A 22 -11.317 2.229 -7.176 1.00 0.00 N ATOM 347 CA ALA A 22 -12.297 2.185 -6.091 1.00 0.00 C ATOM 348 C ALA A 22 -11.590 2.073 -4.741 1.00 0.00 C ATOM 349 O ALA A 22 -11.955 2.752 -3.783 1.00 0.00 O ATOM 350 CB ALA A 22 -13.245 0.997 -6.265 1.00 0.00 C ATOM 0 H ALA A 22 -11.310 1.407 -7.779 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.875 3.109 -6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.965 0.984 -5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.774 1.090 -7.213 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.672 0.070 -6.259 1.00 0.00 H new ATOM 356 N ALA A 23 -10.560 1.221 -4.685 1.00 0.00 N ATOM 357 CA ALA A 23 -9.788 1.038 -3.450 1.00 0.00 C ATOM 358 C ALA A 23 -8.949 2.283 -3.146 1.00 0.00 C ATOM 359 O ALA A 23 -8.554 2.514 -2.001 1.00 0.00 O ATOM 360 CB ALA A 23 -8.859 -0.175 -3.571 1.00 0.00 C ATOM 0 H ALA A 23 -10.244 0.653 -5.471 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.495 0.874 -2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.295 -0.295 -2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.452 -1.071 -3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.168 -0.023 -4.400 1.00 0.00 H new ATOM 366 N PHE A 24 -8.685 3.082 -4.185 1.00 0.00 N ATOM 367 CA PHE A 24 -7.900 4.305 -4.036 1.00 0.00 C ATOM 368 C PHE A 24 -8.811 5.476 -3.656 1.00 0.00 C ATOM 369 O PHE A 24 -8.554 6.181 -2.683 1.00 0.00 O ATOM 370 CB PHE A 24 -7.187 4.633 -5.358 1.00 0.00 C ATOM 371 CG PHE A 24 -5.967 5.491 -5.104 1.00 0.00 C ATOM 372 CD1 PHE A 24 -6.082 6.886 -5.083 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.718 4.890 -4.905 1.00 0.00 C ATOM 374 CE1 PHE A 24 -4.950 7.679 -4.858 1.00 0.00 C ATOM 375 CE2 PHE A 24 -3.586 5.683 -4.681 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.702 7.078 -4.658 1.00 0.00 C ATOM 0 H PHE A 24 -9.005 2.901 -5.137 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.163 4.150 -3.249 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.892 3.710 -5.858 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.872 5.153 -6.028 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -7.044 7.351 -5.240 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.628 3.814 -4.924 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.040 8.755 -4.839 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.623 5.219 -4.526 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.829 7.690 -4.486 1.00 0.00 H new ATOM 386 N ASP A 25 -9.872 5.672 -4.447 1.00 0.00 N ATOM 387 CA ASP A 25 -10.819 6.772 -4.218 1.00 0.00 C ATOM 388 C ASP A 25 -11.430 6.742 -2.815 1.00 0.00 C ATOM 389 O ASP A 25 -11.615 7.793 -2.202 1.00 0.00 O ATOM 390 CB ASP A 25 -11.954 6.728 -5.247 1.00 0.00 C ATOM 391 CG ASP A 25 -12.647 8.088 -5.304 1.00 0.00 C ATOM 392 OD1 ASP A 25 -12.155 8.953 -6.009 1.00 0.00 O ATOM 393 OD2 ASP A 25 -13.658 8.243 -4.637 1.00 0.00 O ATOM 0 H ASP A 25 -10.097 5.085 -5.250 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.246 7.694 -4.321 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.558 6.469 -6.229 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.672 5.954 -4.978 1.00 0.00 H new ATOM 398 N ILE A 26 -11.752 5.542 -2.316 1.00 0.00 N ATOM 399 CA ILE A 26 -12.353 5.423 -0.977 1.00 0.00 C ATOM 400 C ILE A 26 -11.485 6.127 0.071 1.00 0.00 C ATOM 401 O ILE A 26 -12.001 6.736 1.011 1.00 0.00 O ATOM 402 CB ILE A 26 -12.541 3.953 -0.581 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.224 3.186 -0.769 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.632 3.330 -1.458 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.400 1.733 -0.325 1.00 0.00 C ATOM 0 H ILE A 26 -11.612 4.657 -2.804 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.331 5.903 -1.015 1.00 0.00 H new ATOM 0 HB ILE A 26 -12.836 3.896 0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.919 3.221 -1.815 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.431 3.659 -0.189 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.769 2.285 -1.180 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.568 3.870 -1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.336 3.391 -2.505 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.462 1.195 -0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.685 1.706 0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.179 1.261 -0.924 1.00 0.00 H new ATOM 417 N PHE A 27 -10.163 6.046 -0.109 1.00 0.00 N ATOM 418 CA PHE A 27 -9.225 6.688 0.817 1.00 0.00 C ATOM 419 C PHE A 27 -8.970 8.148 0.421 1.00 0.00 C ATOM 420 O PHE A 27 -8.683 8.986 1.277 1.00 0.00 O ATOM 421 CB PHE A 27 -7.892 5.936 0.841 1.00 0.00 C ATOM 422 CG PHE A 27 -8.002 4.757 1.778 1.00 0.00 C ATOM 423 CD1 PHE A 27 -7.720 4.915 3.140 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.398 3.510 1.285 1.00 0.00 C ATOM 425 CE1 PHE A 27 -7.832 3.822 4.007 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.512 2.419 2.152 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.229 2.574 3.513 1.00 0.00 C ATOM 0 H PHE A 27 -9.721 5.547 -0.881 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.676 6.662 1.809 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.635 5.595 -0.162 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.092 6.601 1.167 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.416 5.879 3.521 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.616 3.389 0.234 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.612 3.942 5.058 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.819 1.456 1.771 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.317 1.731 4.182 1.00 0.00 H new ATOM 437 N ILE A 28 -9.076 8.443 -0.884 1.00 0.00 N ATOM 438 CA ILE A 28 -8.852 9.810 -1.376 1.00 0.00 C ATOM 439 C ILE A 28 -10.172 10.597 -1.439 1.00 0.00 C ATOM 440 O ILE A 28 -10.287 11.580 -2.177 1.00 0.00 O ATOM 441 CB ILE A 28 -8.205 9.786 -2.776 1.00 0.00 C ATOM 442 CG1 ILE A 28 -7.037 8.790 -2.817 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.667 11.172 -3.135 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.273 8.795 -1.487 1.00 0.00 C ATOM 0 H ILE A 28 -9.312 7.764 -1.608 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.178 10.304 -0.676 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.971 9.484 -3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.414 7.788 -3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.361 9.049 -3.632 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.213 11.141 -4.125 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.486 11.892 -3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.918 11.473 -2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.450 8.082 -1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.878 9.793 -1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.948 8.513 -0.679 1.00 0.00 H new ATOM 456 N GLN A 29 -11.163 10.169 -0.647 1.00 0.00 N ATOM 457 CA GLN A 29 -12.458 10.858 -0.616 1.00 0.00 C ATOM 458 C GLN A 29 -12.297 12.265 -0.032 1.00 0.00 C ATOM 459 O GLN A 29 -13.014 13.194 -0.413 1.00 0.00 O ATOM 460 CB GLN A 29 -13.482 10.072 0.217 1.00 0.00 C ATOM 461 CG GLN A 29 -12.997 9.934 1.666 1.00 0.00 C ATOM 462 CD GLN A 29 -14.099 9.311 2.518 1.00 0.00 C ATOM 463 OE1 GLN A 29 -15.096 9.962 2.825 1.00 0.00 O ATOM 464 NE2 GLN A 29 -13.977 8.075 2.921 1.00 0.00 N ATOM 0 H GLN A 29 -11.095 9.361 -0.028 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.823 10.929 -1.641 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.446 10.581 0.196 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.634 9.084 -0.218 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.101 9.314 1.703 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.725 10.912 2.064 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.150 7.535 2.666 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.709 7.650 3.490 1.00 0.00 H new ATOM 473 N ASP A 30 -11.339 12.408 0.890 1.00 0.00 N ATOM 474 CA ASP A 30 -11.070 13.698 1.520 1.00 0.00 C ATOM 475 C ASP A 30 -9.585 13.811 1.882 1.00 0.00 C ATOM 476 O ASP A 30 -9.223 14.299 2.956 1.00 0.00 O ATOM 477 CB ASP A 30 -11.926 13.864 2.783 1.00 0.00 C ATOM 478 CG ASP A 30 -12.264 15.339 2.981 1.00 0.00 C ATOM 479 OD1 ASP A 30 -13.184 15.809 2.331 1.00 0.00 O ATOM 480 OD2 ASP A 30 -11.598 15.978 3.778 1.00 0.00 O ATOM 0 H ASP A 30 -10.741 11.648 1.213 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.326 14.488 0.813 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.842 13.279 2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.388 13.484 3.652 1.00 0.00 H new ATOM 485 N ALA A 31 -8.722 13.356 0.962 1.00 0.00 N ATOM 486 CA ALA A 31 -7.276 13.406 1.181 1.00 0.00 C ATOM 487 C ALA A 31 -6.766 14.845 1.074 1.00 0.00 C ATOM 488 O ALA A 31 -7.405 15.702 0.459 1.00 0.00 O ATOM 489 CB ALA A 31 -6.548 12.543 0.147 1.00 0.00 C ATOM 0 H ALA A 31 -9.001 12.953 0.067 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.075 13.023 2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.474 12.591 0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.884 11.510 0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.767 12.913 -0.855 1.00 0.00 H new ATOM 495 N GLU A 32 -5.603 15.093 1.679 1.00 0.00 N ATOM 496 CA GLU A 32 -5.001 16.429 1.648 1.00 0.00 C ATOM 497 C GLU A 32 -4.407 16.710 0.268 1.00 0.00 C ATOM 498 O GLU A 32 -4.711 17.728 -0.357 1.00 0.00 O ATOM 499 CB GLU A 32 -3.892 16.556 2.700 1.00 0.00 C ATOM 500 CG GLU A 32 -4.474 16.343 4.101 1.00 0.00 C ATOM 501 CD GLU A 32 -3.349 15.987 5.069 1.00 0.00 C ATOM 502 OE1 GLU A 32 -2.989 14.823 5.126 1.00 0.00 O ATOM 503 OE2 GLU A 32 -2.863 16.886 5.738 1.00 0.00 O ATOM 0 H GLU A 32 -5.063 14.395 2.191 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.787 17.152 1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.110 15.822 2.506 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.429 17.540 2.635 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.984 17.246 4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.217 15.546 4.081 1.00 0.00 H new ATOM 510 N ASP A 33 -3.561 15.787 -0.197 1.00 0.00 N ATOM 511 CA ASP A 33 -2.919 15.924 -1.508 1.00 0.00 C ATOM 512 C ASP A 33 -3.667 15.109 -2.569 1.00 0.00 C ATOM 513 O ASP A 33 -3.741 15.508 -3.733 1.00 0.00 O ATOM 514 CB ASP A 33 -1.464 15.439 -1.443 1.00 0.00 C ATOM 515 CG ASP A 33 -0.653 16.083 -2.567 1.00 0.00 C ATOM 516 OD1 ASP A 33 -0.189 17.195 -2.373 1.00 0.00 O ATOM 517 OD2 ASP A 33 -0.507 15.454 -3.602 1.00 0.00 O ATOM 0 H ASP A 33 -3.305 14.941 0.312 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.944 16.979 -1.782 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.029 15.693 -0.476 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.429 14.353 -1.533 1.00 0.00 H new ATOM 522 N GLY A 34 -4.216 13.963 -2.152 1.00 0.00 N ATOM 523 CA GLY A 34 -4.953 13.090 -3.069 1.00 0.00 C ATOM 524 C GLY A 34 -4.266 11.729 -3.207 1.00 0.00 C ATOM 525 O GLY A 34 -4.294 11.116 -4.275 1.00 0.00 O ATOM 0 H GLY A 34 -4.164 13.621 -1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.971 12.952 -2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.026 13.565 -4.048 1.00 0.00 H new ATOM 529 N CYS A 35 -3.646 11.267 -2.114 1.00 0.00 N ATOM 530 CA CYS A 35 -2.947 9.982 -2.117 1.00 0.00 C ATOM 531 C CYS A 35 -3.135 9.274 -0.776 1.00 0.00 C ATOM 532 O CYS A 35 -3.708 9.834 0.163 1.00 0.00 O ATOM 533 CB CYS A 35 -1.446 10.191 -2.351 1.00 0.00 C ATOM 534 SG CYS A 35 -1.193 11.274 -3.778 1.00 0.00 S ATOM 0 H CYS A 35 -3.616 11.762 -1.223 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.364 9.373 -2.919 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.988 10.630 -1.464 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.958 9.231 -2.520 1.00 0.00 H new ATOM 0 HG CYS A 35 0.058 11.620 -3.844 1.00 0.00 H new ATOM 540 N ILE A 36 -2.631 8.042 -0.691 1.00 0.00 N ATOM 541 CA ILE A 36 -2.733 7.271 0.547 1.00 0.00 C ATOM 542 C ILE A 36 -1.374 7.230 1.247 1.00 0.00 C ATOM 543 O ILE A 36 -0.383 7.748 0.734 1.00 0.00 O ATOM 544 CB ILE A 36 -3.219 5.841 0.273 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.292 5.152 -0.734 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.645 5.880 -0.287 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.581 3.988 -0.045 1.00 0.00 C ATOM 0 H ILE A 36 -2.154 7.562 -1.454 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.462 7.761 1.192 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.209 5.279 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.866 4.790 -1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.562 5.863 -1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.988 4.864 -0.481 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.307 6.355 0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.656 6.450 -1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.920 3.493 -0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.995 4.364 0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.320 3.275 0.320 1.00 0.00 H new ATOM 559 N SER A 37 -1.339 6.615 2.428 1.00 0.00 N ATOM 560 CA SER A 37 -0.099 6.516 3.191 1.00 0.00 C ATOM 561 C SER A 37 0.601 5.190 2.912 1.00 0.00 C ATOM 562 O SER A 37 -0.032 4.204 2.529 1.00 0.00 O ATOM 563 CB SER A 37 -0.381 6.633 4.692 1.00 0.00 C ATOM 564 OG SER A 37 0.675 7.354 5.313 1.00 0.00 O ATOM 0 H SER A 37 -2.148 6.182 2.873 1.00 0.00 H new ATOM 0 HA SER A 37 0.550 7.335 2.881 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.331 7.142 4.857 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.470 5.641 5.136 1.00 0.00 H new ATOM 0 HG SER A 37 0.497 7.432 6.274 1.00 0.00 H new ATOM 570 N THR A 38 1.916 5.178 3.123 1.00 0.00 N ATOM 571 CA THR A 38 2.714 3.965 2.910 1.00 0.00 C ATOM 572 C THR A 38 2.194 2.835 3.801 1.00 0.00 C ATOM 573 O THR A 38 1.856 1.753 3.318 1.00 0.00 O ATOM 574 CB THR A 38 4.198 4.220 3.219 1.00 0.00 C ATOM 575 OG1 THR A 38 4.326 4.858 4.488 1.00 0.00 O ATOM 576 CG2 THR A 38 4.804 5.109 2.127 1.00 0.00 C ATOM 0 H THR A 38 2.451 5.987 3.439 1.00 0.00 H new ATOM 0 HA THR A 38 2.622 3.678 1.862 1.00 0.00 H new ATOM 0 HB THR A 38 4.729 3.268 3.245 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.274 5.016 4.680 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.856 5.289 2.347 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.715 4.611 1.162 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.272 6.060 2.095 1.00 0.00 H new ATOM 584 N LYS A 39 2.112 3.113 5.107 1.00 0.00 N ATOM 585 CA LYS A 39 1.609 2.131 6.076 1.00 0.00 C ATOM 586 C LYS A 39 0.106 1.871 5.883 1.00 0.00 C ATOM 587 O LYS A 39 -0.429 0.883 6.390 1.00 0.00 O ATOM 588 CB LYS A 39 1.852 2.627 7.506 1.00 0.00 C ATOM 589 CG LYS A 39 1.076 3.927 7.747 1.00 0.00 C ATOM 590 CD LYS A 39 0.940 4.174 9.252 1.00 0.00 C ATOM 591 CE LYS A 39 1.224 5.647 9.559 1.00 0.00 C ATOM 592 NZ LYS A 39 2.689 5.840 9.769 1.00 0.00 N ATOM 0 H LYS A 39 2.386 4.006 5.517 1.00 0.00 H new ATOM 0 HA LYS A 39 2.149 1.199 5.909 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.537 1.868 8.222 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.917 2.794 7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.593 4.763 7.277 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.089 3.864 7.288 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.064 3.910 9.585 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.635 3.537 9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.878 6.274 8.737 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.675 5.956 10.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.881 6.841 9.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.006 5.253 10.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.203 5.561 8.909 1.00 0.00 H new ATOM 606 N GLU A 40 -0.569 2.768 5.147 1.00 0.00 N ATOM 607 CA GLU A 40 -2.007 2.629 4.895 1.00 0.00 C ATOM 608 C GLU A 40 -2.297 1.604 3.788 1.00 0.00 C ATOM 609 O GLU A 40 -3.461 1.332 3.483 1.00 0.00 O ATOM 610 CB GLU A 40 -2.600 3.977 4.480 1.00 0.00 C ATOM 611 CG GLU A 40 -4.055 4.077 4.945 1.00 0.00 C ATOM 612 CD GLU A 40 -4.553 5.509 4.760 1.00 0.00 C ATOM 613 OE1 GLU A 40 -4.677 5.931 3.620 1.00 0.00 O ATOM 614 OE2 GLU A 40 -4.802 6.162 5.760 1.00 0.00 O ATOM 0 H GLU A 40 -0.143 3.591 4.720 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.464 2.280 5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.015 4.789 4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.548 4.088 3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.678 3.388 4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.134 3.786 5.992 1.00 0.00 H new ATOM 621 N LEU A 41 -1.241 1.030 3.189 1.00 0.00 N ATOM 622 CA LEU A 41 -1.423 0.033 2.130 1.00 0.00 C ATOM 623 C LEU A 41 -2.203 -1.177 2.656 1.00 0.00 C ATOM 624 O LEU A 41 -2.971 -1.795 1.924 1.00 0.00 O ATOM 625 CB LEU A 41 -0.067 -0.437 1.586 1.00 0.00 C ATOM 626 CG LEU A 41 -0.127 -1.594 0.579 1.00 0.00 C ATOM 627 CD1 LEU A 41 -1.083 -1.237 -0.563 1.00 0.00 C ATOM 628 CD2 LEU A 41 1.272 -1.849 0.011 1.00 0.00 C ATOM 0 H LEU A 41 -0.269 1.237 3.417 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.988 0.503 1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.428 0.410 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.557 -0.741 2.426 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.486 -2.491 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.123 -2.061 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.080 -1.057 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.728 -0.338 -1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.230 -2.671 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.631 -0.950 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.952 -2.108 0.822 1.00 0.00 H new ATOM 640 N GLY A 42 -2.008 -1.501 3.938 1.00 0.00 N ATOM 641 CA GLY A 42 -2.709 -2.632 4.547 1.00 0.00 C ATOM 642 C GLY A 42 -4.212 -2.357 4.679 1.00 0.00 C ATOM 643 O GLY A 42 -5.005 -3.284 4.858 1.00 0.00 O ATOM 0 H GLY A 42 -1.378 -1.002 4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.553 -3.526 3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.287 -2.835 5.531 1.00 0.00 H new ATOM 647 N LYS A 43 -4.597 -1.076 4.590 1.00 0.00 N ATOM 648 CA LYS A 43 -6.005 -0.693 4.704 1.00 0.00 C ATOM 649 C LYS A 43 -6.723 -0.828 3.356 1.00 0.00 C ATOM 650 O LYS A 43 -7.897 -1.200 3.308 1.00 0.00 O ATOM 651 CB LYS A 43 -6.127 0.753 5.194 1.00 0.00 C ATOM 652 CG LYS A 43 -5.378 0.917 6.521 1.00 0.00 C ATOM 653 CD LYS A 43 -5.846 2.195 7.221 1.00 0.00 C ATOM 654 CE LYS A 43 -6.918 1.848 8.258 1.00 0.00 C ATOM 655 NZ LYS A 43 -7.133 3.014 9.162 1.00 0.00 N ATOM 0 H LYS A 43 -3.957 -0.296 4.441 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.473 -1.365 5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.718 1.435 4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.177 1.015 5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.558 0.053 7.161 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.304 0.962 6.341 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.002 2.686 7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.247 2.897 6.490 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.850 1.585 7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.610 0.977 8.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.861 2.778 9.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.243 3.245 9.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.445 3.834 8.603 1.00 0.00 H new ATOM 669 N VAL A 44 -6.008 -0.528 2.262 1.00 0.00 N ATOM 670 CA VAL A 44 -6.601 -0.630 0.923 1.00 0.00 C ATOM 671 C VAL A 44 -6.732 -2.096 0.501 1.00 0.00 C ATOM 672 O VAL A 44 -7.695 -2.469 -0.170 1.00 0.00 O ATOM 673 CB VAL A 44 -5.771 0.137 -0.121 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.847 1.637 0.166 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.307 -0.310 -0.073 1.00 0.00 C ATOM 0 H VAL A 44 -5.036 -0.218 2.277 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.593 -0.180 0.972 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.176 -0.073 -1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.259 2.179 -0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.885 1.965 0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.451 1.837 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.733 0.242 -0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.899 -0.113 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.245 -1.377 -0.286 1.00 0.00 H new ATOM 685 N MET A 45 -5.759 -2.925 0.912 1.00 0.00 N ATOM 686 CA MET A 45 -5.783 -4.353 0.581 1.00 0.00 C ATOM 687 C MET A 45 -7.050 -5.012 1.129 1.00 0.00 C ATOM 688 O MET A 45 -7.608 -5.911 0.506 1.00 0.00 O ATOM 689 CB MET A 45 -4.562 -5.086 1.162 1.00 0.00 C ATOM 690 CG MET A 45 -3.264 -4.393 0.731 1.00 0.00 C ATOM 691 SD MET A 45 -2.600 -5.212 -0.737 1.00 0.00 S ATOM 692 CE MET A 45 -3.900 -4.679 -1.874 1.00 0.00 C ATOM 0 H MET A 45 -4.955 -2.632 1.468 1.00 0.00 H new ATOM 0 HA MET A 45 -5.763 -4.428 -0.506 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.626 -5.106 2.250 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.558 -6.122 0.824 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.455 -3.341 0.518 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.535 -4.428 1.541 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.523 -4.705 -2.896 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.757 -5.347 -1.786 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.206 -3.663 -1.626 1.00 0.00 H new ATOM 702 N ARG A 46 -7.498 -4.546 2.298 1.00 0.00 N ATOM 703 CA ARG A 46 -8.706 -5.090 2.928 1.00 0.00 C ATOM 704 C ARG A 46 -9.920 -4.932 2.007 1.00 0.00 C ATOM 705 O ARG A 46 -10.756 -5.832 1.907 1.00 0.00 O ATOM 706 CB ARG A 46 -8.990 -4.372 4.251 1.00 0.00 C ATOM 707 CG ARG A 46 -8.000 -4.845 5.321 1.00 0.00 C ATOM 708 CD ARG A 46 -8.713 -5.776 6.307 1.00 0.00 C ATOM 709 NE ARG A 46 -7.856 -6.062 7.461 1.00 0.00 N ATOM 710 CZ ARG A 46 -8.290 -6.790 8.500 1.00 0.00 C ATOM 711 NH1 ARG A 46 -9.515 -7.261 8.526 1.00 0.00 N ATOM 712 NH2 ARG A 46 -7.481 -7.032 9.500 1.00 0.00 N ATOM 0 H ARG A 46 -7.047 -3.798 2.825 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.532 -6.150 3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.906 -3.294 4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.012 -4.574 4.573 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.165 -5.366 4.853 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.585 -3.988 5.851 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.642 -5.315 6.643 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.981 -6.707 5.807 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.904 -5.697 7.474 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.150 -7.075 7.750 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.832 -7.813 9.323 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.528 -6.668 9.485 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.803 -7.585 10.294 1.00 0.00 H new ATOM 726 N MET A 47 -10.002 -3.778 1.336 1.00 0.00 N ATOM 727 CA MET A 47 -11.116 -3.505 0.421 1.00 0.00 C ATOM 728 C MET A 47 -10.921 -4.225 -0.916 1.00 0.00 C ATOM 729 O MET A 47 -11.887 -4.675 -1.533 1.00 0.00 O ATOM 730 CB MET A 47 -11.240 -1.999 0.160 1.00 0.00 C ATOM 731 CG MET A 47 -12.145 -1.367 1.219 1.00 0.00 C ATOM 732 SD MET A 47 -13.839 -1.271 0.585 1.00 0.00 S ATOM 733 CE MET A 47 -14.681 -1.799 2.097 1.00 0.00 C ATOM 0 H MET A 47 -9.318 -3.025 1.408 1.00 0.00 H new ATOM 0 HA MET A 47 -12.026 -3.873 0.895 1.00 0.00 H new ATOM 0 HB2 MET A 47 -10.255 -1.533 0.184 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.651 -1.825 -0.835 1.00 0.00 H new ATOM 0 HG2 MET A 47 -12.121 -1.959 2.134 1.00 0.00 H new ATOM 0 HG3 MET A 47 -11.784 -0.371 1.474 1.00 0.00 H new ATOM 0 HE1 MET A 47 -15.758 -1.812 1.928 1.00 0.00 H new ATOM 0 HE2 MET A 47 -14.345 -2.799 2.370 1.00 0.00 H new ATOM 0 HE3 MET A 47 -14.449 -1.105 2.904 1.00 0.00 H new ATOM 743 N LEU A 48 -9.661 -4.323 -1.359 1.00 0.00 N ATOM 744 CA LEU A 48 -9.350 -4.985 -2.630 1.00 0.00 C ATOM 745 C LEU A 48 -9.577 -6.497 -2.532 1.00 0.00 C ATOM 746 O LEU A 48 -10.276 -7.085 -3.359 1.00 0.00 O ATOM 747 CB LEU A 48 -7.894 -4.717 -3.020 1.00 0.00 C ATOM 748 CG LEU A 48 -7.591 -4.797 -4.518 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.331 -3.677 -5.257 1.00 0.00 C ATOM 750 CD2 LEU A 48 -6.083 -4.644 -4.731 1.00 0.00 C ATOM 0 H LEU A 48 -8.849 -3.956 -0.862 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.016 -4.579 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.616 -3.725 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.258 -5.433 -2.499 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.923 -5.759 -4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.112 -3.738 -6.323 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.404 -3.785 -5.100 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.004 -2.710 -4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.858 -4.700 -5.796 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.756 -3.680 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.559 -5.443 -4.207 1.00 0.00 H new ATOM 762 N GLY A 49 -8.976 -7.113 -1.511 1.00 0.00 N ATOM 763 CA GLY A 49 -9.111 -8.557 -1.301 1.00 0.00 C ATOM 764 C GLY A 49 -7.784 -9.170 -0.851 1.00 0.00 C ATOM 765 O GLY A 49 -7.305 -10.140 -1.439 1.00 0.00 O ATOM 0 H GLY A 49 -8.395 -6.638 -0.820 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.878 -8.749 -0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.442 -9.033 -2.224 1.00 0.00 H new ATOM 769 N GLN A 50 -7.200 -8.585 0.200 1.00 0.00 N ATOM 770 CA GLN A 50 -5.923 -9.066 0.733 1.00 0.00 C ATOM 771 C GLN A 50 -5.769 -8.664 2.201 1.00 0.00 C ATOM 772 O GLN A 50 -6.390 -7.705 2.665 1.00 0.00 O ATOM 773 CB GLN A 50 -4.754 -8.478 -0.065 1.00 0.00 C ATOM 774 CG GLN A 50 -4.230 -9.519 -1.056 1.00 0.00 C ATOM 775 CD GLN A 50 -3.269 -8.851 -2.035 1.00 0.00 C ATOM 776 OE1 GLN A 50 -3.671 -8.435 -3.122 1.00 0.00 O ATOM 777 NE2 GLN A 50 -2.010 -8.722 -1.712 1.00 0.00 N ATOM 0 H GLN A 50 -7.589 -7.783 0.695 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.914 -10.153 0.649 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.078 -7.585 -0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.956 -8.173 0.612 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.722 -10.322 -0.522 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.061 -9.972 -1.597 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.677 -9.066 -0.812 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.360 -8.277 -2.360 1.00 0.00 H new ATOM 786 N ASN A 51 -4.930 -9.410 2.925 1.00 0.00 N ATOM 787 CA ASN A 51 -4.695 -9.126 4.340 1.00 0.00 C ATOM 788 C ASN A 51 -3.256 -9.490 4.733 1.00 0.00 C ATOM 789 O ASN A 51 -3.013 -10.509 5.382 1.00 0.00 O ATOM 790 CB ASN A 51 -5.686 -9.912 5.213 1.00 0.00 C ATOM 791 CG ASN A 51 -5.877 -9.203 6.553 1.00 0.00 C ATOM 792 OD1 ASN A 51 -5.884 -7.973 6.619 1.00 0.00 O ATOM 793 ND2 ASN A 51 -6.039 -9.912 7.638 1.00 0.00 N ATOM 0 H ASN A 51 -4.408 -10.206 2.558 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.844 -8.059 4.503 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.643 -10.002 4.700 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.316 -10.924 5.377 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.171 -9.447 8.536 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.034 -10.931 7.587 1.00 0.00 H new ATOM 800 N PRO A 52 -2.288 -8.649 4.337 1.00 0.00 N ATOM 801 CA PRO A 52 -0.862 -8.876 4.647 1.00 0.00 C ATOM 802 C PRO A 52 -0.471 -8.371 6.040 1.00 0.00 C ATOM 803 O PRO A 52 -1.333 -8.047 6.863 1.00 0.00 O ATOM 804 CB PRO A 52 -0.167 -8.055 3.565 1.00 0.00 C ATOM 805 CG PRO A 52 -1.149 -6.977 3.124 1.00 0.00 C ATOM 806 CD PRO A 52 -2.551 -7.423 3.556 1.00 0.00 C ATOM 0 HA PRO A 52 -0.598 -9.934 4.657 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.750 -7.608 3.949 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.116 -8.687 2.723 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.895 -6.019 3.578 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.107 -6.839 2.044 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.049 -6.662 4.157 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.193 -7.622 2.698 1.00 0.00 H new ATOM 814 N THR A 53 0.838 -8.301 6.285 1.00 0.00 N ATOM 815 CA THR A 53 1.353 -7.825 7.572 1.00 0.00 C ATOM 816 C THR A 53 2.046 -6.472 7.375 1.00 0.00 C ATOM 817 O THR A 53 2.202 -6.011 6.242 1.00 0.00 O ATOM 818 CB THR A 53 2.350 -8.842 8.170 1.00 0.00 C ATOM 819 OG1 THR A 53 3.653 -8.609 7.651 1.00 0.00 O ATOM 820 CG2 THR A 53 1.919 -10.269 7.824 1.00 0.00 C ATOM 0 H THR A 53 1.559 -8.566 5.614 1.00 0.00 H new ATOM 0 HA THR A 53 0.519 -7.713 8.265 1.00 0.00 H new ATOM 0 HB THR A 53 2.362 -8.720 9.253 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.279 -9.257 8.036 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.629 -10.977 8.251 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.927 -10.459 8.233 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.893 -10.389 6.741 1.00 0.00 H new ATOM 828 N PRO A 54 2.482 -5.824 8.463 1.00 0.00 N ATOM 829 CA PRO A 54 3.170 -4.519 8.367 1.00 0.00 C ATOM 830 C PRO A 54 4.600 -4.653 7.837 1.00 0.00 C ATOM 831 O PRO A 54 5.134 -3.731 7.218 1.00 0.00 O ATOM 832 CB PRO A 54 3.150 -4.030 9.811 1.00 0.00 C ATOM 833 CG PRO A 54 2.993 -5.258 10.694 1.00 0.00 C ATOM 834 CD PRO A 54 2.329 -6.341 9.841 1.00 0.00 C ATOM 0 HA PRO A 54 2.691 -3.835 7.666 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.071 -3.498 10.051 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.328 -3.333 9.971 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.962 -5.596 11.060 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.384 -5.029 11.569 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.817 -7.308 9.965 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.281 -6.477 10.106 1.00 0.00 H new ATOM 842 N GLU A 55 5.202 -5.819 8.076 1.00 0.00 N ATOM 843 CA GLU A 55 6.562 -6.088 7.607 1.00 0.00 C ATOM 844 C GLU A 55 6.531 -6.568 6.153 1.00 0.00 C ATOM 845 O GLU A 55 7.405 -6.223 5.354 1.00 0.00 O ATOM 846 CB GLU A 55 7.239 -7.157 8.478 1.00 0.00 C ATOM 847 CG GLU A 55 6.956 -6.887 9.964 1.00 0.00 C ATOM 848 CD GLU A 55 7.511 -5.520 10.362 1.00 0.00 C ATOM 849 OE1 GLU A 55 8.719 -5.411 10.508 1.00 0.00 O ATOM 850 OE2 GLU A 55 6.720 -4.604 10.519 1.00 0.00 O ATOM 0 H GLU A 55 4.772 -6.589 8.589 1.00 0.00 H new ATOM 0 HA GLU A 55 7.133 -5.162 7.676 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.872 -8.146 8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.314 -7.155 8.299 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.883 -6.921 10.150 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.411 -7.666 10.577 1.00 0.00 H new ATOM 857 N GLU A 56 5.510 -7.372 5.822 1.00 0.00 N ATOM 858 CA GLU A 56 5.360 -7.904 4.464 1.00 0.00 C ATOM 859 C GLU A 56 4.956 -6.801 3.486 1.00 0.00 C ATOM 860 O GLU A 56 5.589 -6.624 2.443 1.00 0.00 O ATOM 861 CB GLU A 56 4.301 -9.013 4.434 1.00 0.00 C ATOM 862 CG GLU A 56 4.457 -9.846 3.158 1.00 0.00 C ATOM 863 CD GLU A 56 5.634 -10.805 3.311 1.00 0.00 C ATOM 864 OE1 GLU A 56 5.442 -11.860 3.896 1.00 0.00 O ATOM 865 OE2 GLU A 56 6.711 -10.472 2.842 1.00 0.00 O ATOM 0 H GLU A 56 4.781 -7.665 6.473 1.00 0.00 H new ATOM 0 HA GLU A 56 6.324 -8.313 4.162 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.405 -9.652 5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.303 -8.577 4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.542 -10.406 2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.618 -9.191 2.302 1.00 0.00 H new ATOM 872 N LEU A 57 3.896 -6.061 3.832 1.00 0.00 N ATOM 873 CA LEU A 57 3.415 -4.975 2.973 1.00 0.00 C ATOM 874 C LEU A 57 4.476 -3.876 2.821 1.00 0.00 C ATOM 875 O LEU A 57 4.497 -3.163 1.818 1.00 0.00 O ATOM 876 CB LEU A 57 2.109 -4.381 3.535 1.00 0.00 C ATOM 877 CG LEU A 57 2.175 -2.930 4.037 1.00 0.00 C ATOM 878 CD1 LEU A 57 0.758 -2.411 4.271 1.00 0.00 C ATOM 879 CD2 LEU A 57 2.958 -2.868 5.351 1.00 0.00 C ATOM 0 H LEU A 57 3.361 -6.192 4.690 1.00 0.00 H new ATOM 0 HA LEU A 57 3.216 -5.393 1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.346 -4.439 2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.774 -5.012 4.358 1.00 0.00 H new ATOM 0 HG LEU A 57 2.676 -2.315 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.802 -1.382 4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.198 -2.448 3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.261 -3.032 5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.001 -1.837 5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.461 -3.485 6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.970 -3.238 5.189 1.00 0.00 H new ATOM 891 N GLN A 58 5.358 -3.748 3.826 1.00 0.00 N ATOM 892 CA GLN A 58 6.417 -2.733 3.787 1.00 0.00 C ATOM 893 C GLN A 58 7.265 -2.881 2.522 1.00 0.00 C ATOM 894 O GLN A 58 7.609 -1.891 1.874 1.00 0.00 O ATOM 895 CB GLN A 58 7.330 -2.853 5.015 1.00 0.00 C ATOM 896 CG GLN A 58 7.353 -1.523 5.777 1.00 0.00 C ATOM 897 CD GLN A 58 7.948 -0.429 4.891 1.00 0.00 C ATOM 898 OE1 GLN A 58 9.169 -0.279 4.813 1.00 0.00 O ATOM 899 NE2 GLN A 58 7.152 0.353 4.212 1.00 0.00 N ATOM 0 H GLN A 58 5.358 -4.328 4.665 1.00 0.00 H new ATOM 0 HA GLN A 58 5.935 -1.755 3.787 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.974 -3.650 5.668 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.339 -3.122 4.704 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.342 -1.249 6.079 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.942 -1.626 6.689 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.141 0.231 4.275 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.541 1.086 3.619 1.00 0.00 H new ATOM 908 N GLU A 59 7.590 -4.132 2.180 1.00 0.00 N ATOM 909 CA GLU A 59 8.394 -4.410 0.987 1.00 0.00 C ATOM 910 C GLU A 59 7.644 -4.001 -0.280 1.00 0.00 C ATOM 911 O GLU A 59 8.239 -3.466 -1.215 1.00 0.00 O ATOM 912 CB GLU A 59 8.737 -5.901 0.902 1.00 0.00 C ATOM 913 CG GLU A 59 9.980 -6.193 1.749 1.00 0.00 C ATOM 914 CD GLU A 59 11.236 -5.952 0.917 1.00 0.00 C ATOM 915 OE1 GLU A 59 11.692 -4.819 0.880 1.00 0.00 O ATOM 916 OE2 GLU A 59 11.723 -6.902 0.327 1.00 0.00 O ATOM 0 H GLU A 59 7.312 -4.960 2.707 1.00 0.00 H new ATOM 0 HA GLU A 59 9.313 -3.829 1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.896 -6.498 1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.917 -6.184 -0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.989 -5.554 2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.958 -7.224 2.102 1.00 0.00 H new ATOM 923 N MET A 60 6.329 -4.254 -0.295 1.00 0.00 N ATOM 924 CA MET A 60 5.501 -3.904 -1.451 1.00 0.00 C ATOM 925 C MET A 60 5.471 -2.387 -1.652 1.00 0.00 C ATOM 926 O MET A 60 5.609 -1.899 -2.774 1.00 0.00 O ATOM 927 CB MET A 60 4.067 -4.418 -1.262 1.00 0.00 C ATOM 928 CG MET A 60 3.929 -5.811 -1.889 1.00 0.00 C ATOM 929 SD MET A 60 4.632 -7.053 -0.774 1.00 0.00 S ATOM 930 CE MET A 60 3.097 -7.510 0.069 1.00 0.00 C ATOM 0 H MET A 60 5.822 -4.695 0.472 1.00 0.00 H new ATOM 0 HA MET A 60 5.939 -4.374 -2.332 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.823 -4.461 -0.201 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.360 -3.729 -1.724 1.00 0.00 H new ATOM 0 HG2 MET A 60 2.879 -6.032 -2.080 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.441 -5.840 -2.851 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.304 -7.704 1.122 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.379 -6.695 -0.016 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.683 -8.407 -0.390 1.00 0.00 H new ATOM 940 N ILE A 61 5.294 -1.648 -0.548 1.00 0.00 N ATOM 941 CA ILE A 61 5.249 -0.185 -0.601 1.00 0.00 C ATOM 942 C ILE A 61 6.504 0.380 -1.273 1.00 0.00 C ATOM 943 O ILE A 61 6.435 0.925 -2.372 1.00 0.00 O ATOM 944 CB ILE A 61 5.137 0.386 0.816 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.769 0.024 1.398 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.300 1.906 0.780 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.910 -0.257 2.894 1.00 0.00 C ATOM 0 H ILE A 61 5.180 -2.039 0.387 1.00 0.00 H new ATOM 0 HA ILE A 61 4.377 0.104 -1.187 1.00 0.00 H new ATOM 0 HB ILE A 61 5.923 -0.037 1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.065 0.840 1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.365 -0.851 0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.219 2.305 1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.277 2.157 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.520 2.341 0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.936 -0.515 3.309 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.600 -1.087 3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.295 0.631 3.396 1.00 0.00 H new ATOM 959 N ASP A 62 7.643 0.253 -0.585 1.00 0.00 N ATOM 960 CA ASP A 62 8.921 0.760 -1.105 1.00 0.00 C ATOM 961 C ASP A 62 9.191 0.265 -2.531 1.00 0.00 C ATOM 962 O ASP A 62 9.789 0.979 -3.338 1.00 0.00 O ATOM 963 CB ASP A 62 10.077 0.320 -0.199 1.00 0.00 C ATOM 964 CG ASP A 62 11.264 1.261 -0.387 1.00 0.00 C ATOM 965 OD1 ASP A 62 11.282 2.296 0.259 1.00 0.00 O ATOM 966 OD2 ASP A 62 12.138 0.933 -1.172 1.00 0.00 O ATOM 0 H ASP A 62 7.708 -0.194 0.329 1.00 0.00 H new ATOM 0 HA ASP A 62 8.852 1.848 -1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.758 0.326 0.843 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.370 -0.703 -0.437 1.00 0.00 H new ATOM 971 N GLU A 63 8.747 -0.962 -2.834 1.00 0.00 N ATOM 972 CA GLU A 63 8.951 -1.540 -4.167 1.00 0.00 C ATOM 973 C GLU A 63 8.251 -0.705 -5.242 1.00 0.00 C ATOM 974 O GLU A 63 8.825 -0.422 -6.294 1.00 0.00 O ATOM 975 CB GLU A 63 8.410 -2.974 -4.228 1.00 0.00 C ATOM 976 CG GLU A 63 9.535 -3.966 -3.911 1.00 0.00 C ATOM 977 CD GLU A 63 10.330 -4.266 -5.180 1.00 0.00 C ATOM 978 OE1 GLU A 63 9.909 -5.134 -5.930 1.00 0.00 O ATOM 979 OE2 GLU A 63 11.349 -3.626 -5.383 1.00 0.00 O ATOM 0 H GLU A 63 8.249 -1.567 -2.181 1.00 0.00 H new ATOM 0 HA GLU A 63 10.025 -1.545 -4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.594 -3.095 -3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.002 -3.177 -5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.193 -3.552 -3.147 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.117 -4.888 -3.506 1.00 0.00 H new ATOM 986 N VAL A 64 6.999 -0.322 -4.968 1.00 0.00 N ATOM 987 CA VAL A 64 6.219 0.473 -5.924 1.00 0.00 C ATOM 988 C VAL A 64 6.451 1.980 -5.742 1.00 0.00 C ATOM 989 O VAL A 64 6.112 2.767 -6.628 1.00 0.00 O ATOM 990 CB VAL A 64 4.717 0.187 -5.773 1.00 0.00 C ATOM 991 CG1 VAL A 64 4.461 -1.318 -5.889 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.226 0.687 -4.409 1.00 0.00 C ATOM 0 H VAL A 64 6.508 -0.546 -4.102 1.00 0.00 H new ATOM 0 HA VAL A 64 6.557 0.182 -6.919 1.00 0.00 H new ATOM 0 HB VAL A 64 4.176 0.707 -6.563 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.394 -1.515 -5.781 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.798 -1.670 -6.864 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.008 -1.842 -5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.160 0.481 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.771 0.175 -3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.397 1.761 -4.332 1.00 0.00 H new ATOM 1002 N ASP A 65 7.014 2.379 -4.593 1.00 0.00 N ATOM 1003 CA ASP A 65 7.260 3.796 -4.330 1.00 0.00 C ATOM 1004 C ASP A 65 8.370 4.310 -5.250 1.00 0.00 C ATOM 1005 O ASP A 65 9.559 4.208 -4.941 1.00 0.00 O ATOM 1006 CB ASP A 65 7.653 4.024 -2.864 1.00 0.00 C ATOM 1007 CG ASP A 65 6.954 5.275 -2.326 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.120 6.331 -2.913 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.261 5.157 -1.329 1.00 0.00 O ATOM 0 H ASP A 65 7.302 1.749 -3.844 1.00 0.00 H new ATOM 0 HA ASP A 65 6.339 4.345 -4.527 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.376 3.156 -2.265 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.734 4.137 -2.781 1.00 0.00 H new ATOM 1014 N GLU A 66 7.950 4.840 -6.400 1.00 0.00 N ATOM 1015 CA GLU A 66 8.886 5.355 -7.404 1.00 0.00 C ATOM 1016 C GLU A 66 9.534 6.672 -6.965 1.00 0.00 C ATOM 1017 O GLU A 66 10.717 6.905 -7.227 1.00 0.00 O ATOM 1018 CB GLU A 66 8.157 5.590 -8.733 1.00 0.00 C ATOM 1019 CG GLU A 66 7.728 4.244 -9.332 1.00 0.00 C ATOM 1020 CD GLU A 66 6.305 4.354 -9.874 1.00 0.00 C ATOM 1021 OE1 GLU A 66 5.383 4.300 -9.078 1.00 0.00 O ATOM 1022 OE2 GLU A 66 6.159 4.489 -11.078 1.00 0.00 O ATOM 0 H GLU A 66 6.967 4.924 -6.660 1.00 0.00 H new ATOM 0 HA GLU A 66 9.668 4.606 -7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.284 6.223 -8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.810 6.117 -9.429 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.411 3.956 -10.131 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.779 3.464 -8.573 1.00 0.00 H new ATOM 1029 N ASP A 67 8.753 7.540 -6.314 1.00 0.00 N ATOM 1030 CA ASP A 67 9.280 8.839 -5.868 1.00 0.00 C ATOM 1031 C ASP A 67 9.947 8.741 -4.493 1.00 0.00 C ATOM 1032 O ASP A 67 11.005 9.332 -4.267 1.00 0.00 O ATOM 1033 CB ASP A 67 8.178 9.919 -5.820 1.00 0.00 C ATOM 1034 CG ASP A 67 6.855 9.345 -5.305 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.763 9.075 -4.119 1.00 0.00 O ATOM 1036 OD2 ASP A 67 5.948 9.193 -6.105 1.00 0.00 O ATOM 0 H ASP A 67 7.773 7.375 -6.086 1.00 0.00 H new ATOM 0 HA ASP A 67 10.029 9.130 -6.604 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.497 10.738 -5.175 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.032 10.336 -6.816 1.00 0.00 H new ATOM 1041 N GLY A 68 9.313 8.010 -3.571 1.00 0.00 N ATOM 1042 CA GLY A 68 9.848 7.864 -2.217 1.00 0.00 C ATOM 1043 C GLY A 68 9.623 9.149 -1.422 1.00 0.00 C ATOM 1044 O GLY A 68 10.528 9.645 -0.749 1.00 0.00 O ATOM 0 H GLY A 68 8.437 7.515 -3.737 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.363 7.027 -1.715 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.913 7.636 -2.261 1.00 0.00 H new ATOM 1048 N SER A 69 8.402 9.682 -1.521 1.00 0.00 N ATOM 1049 CA SER A 69 8.045 10.918 -0.827 1.00 0.00 C ATOM 1050 C SER A 69 7.457 10.619 0.553 1.00 0.00 C ATOM 1051 O SER A 69 7.923 11.143 1.567 1.00 0.00 O ATOM 1052 CB SER A 69 7.016 11.703 -1.649 1.00 0.00 C ATOM 1053 OG SER A 69 5.937 10.844 -2.009 1.00 0.00 O ATOM 0 H SER A 69 7.647 9.276 -2.074 1.00 0.00 H new ATOM 0 HA SER A 69 8.952 11.510 -0.705 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.644 12.549 -1.072 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.485 12.110 -2.545 1.00 0.00 H new ATOM 0 HG SER A 69 6.178 10.334 -2.810 1.00 0.00 H new ATOM 1059 N GLY A 70 6.422 9.777 0.571 1.00 0.00 N ATOM 1060 CA GLY A 70 5.753 9.410 1.819 1.00 0.00 C ATOM 1061 C GLY A 70 4.336 8.903 1.541 1.00 0.00 C ATOM 1062 O GLY A 70 3.836 8.014 2.234 1.00 0.00 O ATOM 0 H GLY A 70 6.030 9.338 -0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.327 8.639 2.332 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.713 10.273 2.484 1.00 0.00 H new ATOM 1066 N THR A 71 3.700 9.479 0.512 1.00 0.00 N ATOM 1067 CA THR A 71 2.344 9.081 0.134 1.00 0.00 C ATOM 1068 C THR A 71 2.383 8.242 -1.138 1.00 0.00 C ATOM 1069 O THR A 71 3.271 8.410 -1.979 1.00 0.00 O ATOM 1070 CB THR A 71 1.458 10.311 -0.107 1.00 0.00 C ATOM 1071 OG1 THR A 71 1.924 11.025 -1.245 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.502 11.224 1.120 1.00 0.00 C ATOM 0 H THR A 71 4.102 10.216 -0.067 1.00 0.00 H new ATOM 0 HA THR A 71 1.925 8.497 0.953 1.00 0.00 H new ATOM 0 HB THR A 71 0.433 9.984 -0.281 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.354 11.808 -1.396 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.872 12.097 0.947 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.137 10.680 1.991 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.528 11.546 1.297 1.00 0.00 H new ATOM 1080 N VAL A 72 1.413 7.339 -1.272 1.00 0.00 N ATOM 1081 CA VAL A 72 1.353 6.480 -2.449 1.00 0.00 C ATOM 1082 C VAL A 72 0.333 7.014 -3.446 1.00 0.00 C ATOM 1083 O VAL A 72 -0.864 7.081 -3.159 1.00 0.00 O ATOM 1084 CB VAL A 72 0.974 5.045 -2.073 1.00 0.00 C ATOM 1085 CG1 VAL A 72 1.151 4.137 -3.295 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.879 4.556 -0.939 1.00 0.00 C ATOM 0 H VAL A 72 0.670 7.186 -0.591 1.00 0.00 H new ATOM 0 HA VAL A 72 2.345 6.477 -2.900 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.065 5.017 -1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.882 3.114 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.507 4.484 -4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.190 4.166 -3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.608 3.534 -0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.918 4.582 -1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.755 5.203 -0.070 1.00 0.00 H new ATOM 1096 N ASP A 73 0.826 7.383 -4.625 1.00 0.00 N ATOM 1097 CA ASP A 73 -0.038 7.902 -5.681 1.00 0.00 C ATOM 1098 C ASP A 73 -0.622 6.739 -6.480 1.00 0.00 C ATOM 1099 O ASP A 73 -0.254 5.582 -6.271 1.00 0.00 O ATOM 1100 CB ASP A 73 0.754 8.807 -6.636 1.00 0.00 C ATOM 1101 CG ASP A 73 1.382 9.972 -5.867 1.00 0.00 C ATOM 1102 OD1 ASP A 73 2.348 9.741 -5.155 1.00 0.00 O ATOM 1103 OD2 ASP A 73 0.892 11.080 -6.010 1.00 0.00 O ATOM 0 H ASP A 73 1.814 7.333 -4.873 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.836 8.482 -5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.533 8.229 -7.133 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.095 9.190 -7.415 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.525 7.056 -7.409 1.00 0.00 N ATOM 1109 CA PHE A 74 -2.137 6.021 -8.244 1.00 0.00 C ATOM 1110 C PHE A 74 -1.090 5.399 -9.171 1.00 0.00 C ATOM 1111 O PHE A 74 -1.173 4.219 -9.501 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.273 6.602 -9.086 1.00 0.00 C ATOM 1113 CG PHE A 74 -4.217 5.494 -9.482 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.809 4.696 -8.497 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.501 5.268 -10.831 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.689 3.671 -8.862 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.381 4.244 -11.198 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.976 3.445 -10.213 1.00 0.00 C ATOM 0 H PHE A 74 -1.845 8.005 -7.601 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.542 5.254 -7.584 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.807 7.365 -8.520 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.871 7.088 -9.975 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.587 4.871 -7.455 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.042 5.883 -11.590 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.146 3.055 -8.102 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.602 4.070 -12.241 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.656 2.655 -10.496 1.00 0.00 H new ATOM 1128 N ASP A 75 -0.087 6.198 -9.561 1.00 0.00 N ATOM 1129 CA ASP A 75 0.990 5.698 -10.418 1.00 0.00 C ATOM 1130 C ASP A 75 1.769 4.618 -9.667 1.00 0.00 C ATOM 1131 O ASP A 75 2.172 3.606 -10.242 1.00 0.00 O ATOM 1132 CB ASP A 75 1.943 6.831 -10.806 1.00 0.00 C ATOM 1133 CG ASP A 75 1.479 7.463 -12.113 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.653 8.360 -12.055 1.00 0.00 O ATOM 1135 OD2 ASP A 75 1.956 7.043 -13.155 1.00 0.00 O ATOM 0 H ASP A 75 -0.001 7.180 -9.299 1.00 0.00 H new ATOM 0 HA ASP A 75 0.552 5.284 -11.326 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.972 7.582 -10.017 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.957 6.446 -10.916 1.00 0.00 H new ATOM 1140 N GLU A 76 1.940 4.844 -8.359 1.00 0.00 N ATOM 1141 CA GLU A 76 2.633 3.891 -7.490 1.00 0.00 C ATOM 1142 C GLU A 76 1.676 2.761 -7.099 1.00 0.00 C ATOM 1143 O GLU A 76 2.099 1.663 -6.736 1.00 0.00 O ATOM 1144 CB GLU A 76 3.139 4.588 -6.219 1.00 0.00 C ATOM 1145 CG GLU A 76 3.686 5.976 -6.573 1.00 0.00 C ATOM 1146 CD GLU A 76 4.457 6.547 -5.388 1.00 0.00 C ATOM 1147 OE1 GLU A 76 3.835 7.161 -4.538 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.660 6.370 -5.352 1.00 0.00 O ATOM 0 H GLU A 76 1.607 5.681 -7.880 1.00 0.00 H new ATOM 0 HA GLU A 76 3.486 3.484 -8.033 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.329 4.680 -5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.919 3.988 -5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.338 5.908 -7.444 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.866 6.643 -6.840 1.00 0.00 H new ATOM 1155 N PHE A 77 0.374 3.050 -7.188 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.662 2.075 -6.864 1.00 0.00 C ATOM 1157 C PHE A 77 -0.843 1.071 -8.017 1.00 0.00 C ATOM 1158 O PHE A 77 -1.098 -0.111 -7.786 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.984 2.815 -6.604 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.932 1.946 -5.817 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.715 1.716 -4.453 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -4.034 1.377 -6.459 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.605 0.911 -3.732 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.925 0.572 -5.738 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.710 0.338 -4.375 1.00 0.00 C ATOM 0 H PHE A 77 0.015 3.958 -7.484 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.365 1.522 -5.973 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.789 3.738 -6.058 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.442 3.097 -7.552 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.863 2.159 -3.958 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.199 1.558 -7.511 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.440 0.732 -2.680 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.778 0.132 -6.234 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.396 -0.284 -3.819 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.715 1.565 -9.257 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.873 0.720 -10.449 1.00 0.00 C ATOM 1177 C LEU A 78 0.357 -0.157 -10.704 1.00 0.00 C ATOM 1178 O LEU A 78 0.227 -1.278 -11.204 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.116 1.587 -11.694 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.458 2.333 -11.736 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.824 2.650 -13.187 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.550 1.464 -11.111 1.00 0.00 C ATOM 0 H LEU A 78 -0.503 2.542 -9.460 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.730 0.074 -10.260 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.312 2.319 -11.766 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.048 0.950 -12.576 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.371 3.262 -11.173 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.776 3.179 -13.215 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.048 3.275 -13.630 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.908 1.722 -13.752 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.501 1.996 -11.142 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.637 0.532 -11.669 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.291 1.244 -10.075 1.00 0.00 H new ATOM 1194 N VAL A 79 1.551 0.352 -10.369 1.00 0.00 N ATOM 1195 CA VAL A 79 2.788 -0.420 -10.585 1.00 0.00 C ATOM 1196 C VAL A 79 2.769 -1.734 -9.803 1.00 0.00 C ATOM 1197 O VAL A 79 3.484 -2.675 -10.142 1.00 0.00 O ATOM 1198 CB VAL A 79 4.040 0.365 -10.188 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.368 1.379 -11.282 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.819 1.094 -8.864 1.00 0.00 C ATOM 0 H VAL A 79 1.689 1.274 -9.956 1.00 0.00 H new ATOM 0 HA VAL A 79 2.827 -0.627 -11.654 1.00 0.00 H new ATOM 0 HB VAL A 79 4.870 -0.332 -10.067 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.260 1.940 -11.002 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.548 0.856 -12.221 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.531 2.066 -11.404 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.720 1.647 -8.598 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.985 1.788 -8.966 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.594 0.368 -8.082 1.00 0.00 H new ATOM 1210 N MET A 80 1.938 -1.788 -8.760 1.00 0.00 N ATOM 1211 CA MET A 80 1.813 -2.999 -7.939 1.00 0.00 C ATOM 1212 C MET A 80 1.617 -4.250 -8.815 1.00 0.00 C ATOM 1213 O MET A 80 1.978 -5.359 -8.416 1.00 0.00 O ATOM 1214 CB MET A 80 0.623 -2.870 -6.986 1.00 0.00 C ATOM 1215 CG MET A 80 1.097 -2.313 -5.642 1.00 0.00 C ATOM 1216 SD MET A 80 -0.072 -2.788 -4.344 1.00 0.00 S ATOM 1217 CE MET A 80 -1.356 -1.573 -4.733 1.00 0.00 C ATOM 0 H MET A 80 1.344 -1.014 -8.463 1.00 0.00 H new ATOM 0 HA MET A 80 2.736 -3.108 -7.370 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.131 -2.212 -7.418 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.153 -3.843 -6.842 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.091 -2.695 -5.408 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.177 -1.227 -5.694 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.157 -1.642 -3.997 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.928 -0.571 -4.711 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.758 -1.774 -5.726 1.00 0.00 H new ATOM 1227 N MET A 81 1.047 -4.060 -10.012 1.00 0.00 N ATOM 1228 CA MET A 81 0.820 -5.179 -10.933 1.00 0.00 C ATOM 1229 C MET A 81 2.105 -5.548 -11.688 1.00 0.00 C ATOM 1230 O MET A 81 2.440 -6.727 -11.815 1.00 0.00 O ATOM 1231 CB MET A 81 -0.270 -4.821 -11.949 1.00 0.00 C ATOM 1232 CG MET A 81 -1.645 -5.146 -11.360 1.00 0.00 C ATOM 1233 SD MET A 81 -2.864 -5.263 -12.694 1.00 0.00 S ATOM 1234 CE MET A 81 -2.715 -7.043 -12.981 1.00 0.00 C ATOM 0 H MET A 81 0.738 -3.153 -10.362 1.00 0.00 H new ATOM 0 HA MET A 81 0.503 -6.035 -10.337 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.212 -3.762 -12.202 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.118 -5.379 -12.873 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.603 -6.085 -10.809 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.940 -4.373 -10.651 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.393 -7.341 -13.781 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.690 -7.281 -13.266 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.972 -7.581 -12.069 1.00 0.00 H new ATOM 1244 N VAL A 82 2.815 -4.529 -12.195 1.00 0.00 N ATOM 1245 CA VAL A 82 4.059 -4.761 -12.951 1.00 0.00 C ATOM 1246 C VAL A 82 5.202 -5.245 -12.048 1.00 0.00 C ATOM 1247 O VAL A 82 6.078 -5.981 -12.502 1.00 0.00 O ATOM 1248 CB VAL A 82 4.511 -3.490 -13.692 1.00 0.00 C ATOM 1249 CG1 VAL A 82 3.520 -3.163 -14.812 1.00 0.00 C ATOM 1250 CG2 VAL A 82 4.584 -2.308 -12.721 1.00 0.00 C ATOM 0 H VAL A 82 2.555 -3.547 -12.098 1.00 0.00 H new ATOM 0 HA VAL A 82 3.832 -5.542 -13.676 1.00 0.00 H new ATOM 0 HB VAL A 82 5.499 -3.667 -14.117 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.844 -2.262 -15.333 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.479 -3.995 -15.515 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.530 -2.999 -14.386 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.905 -1.415 -13.258 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.601 -2.135 -12.284 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.299 -2.531 -11.929 1.00 0.00 H new ATOM 1260 N ARG A 83 5.188 -4.839 -10.770 1.00 0.00 N ATOM 1261 CA ARG A 83 6.241 -5.262 -9.832 1.00 0.00 C ATOM 1262 C ARG A 83 6.196 -6.781 -9.597 1.00 0.00 C ATOM 1263 O ARG A 83 7.173 -7.374 -9.134 1.00 0.00 O ATOM 1264 CB ARG A 83 6.112 -4.535 -8.485 1.00 0.00 C ATOM 1265 CG ARG A 83 4.760 -4.853 -7.839 1.00 0.00 C ATOM 1266 CD ARG A 83 4.860 -4.688 -6.319 1.00 0.00 C ATOM 1267 NE ARG A 83 5.102 -5.980 -5.671 1.00 0.00 N ATOM 1268 CZ ARG A 83 4.118 -6.871 -5.471 1.00 0.00 C ATOM 1269 NH1 ARG A 83 2.888 -6.614 -5.855 1.00 0.00 N ATOM 1270 NH2 ARG A 83 4.389 -8.012 -4.889 1.00 0.00 N ATOM 0 H ARG A 83 4.475 -4.231 -10.367 1.00 0.00 H new ATOM 0 HA ARG A 83 7.197 -5.000 -10.285 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.921 -4.839 -7.821 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.208 -3.459 -8.633 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.992 -4.190 -8.236 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.460 -5.872 -8.085 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.667 -3.997 -6.076 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.939 -4.250 -5.935 1.00 0.00 H new ATOM 0 HE ARG A 83 6.047 -6.209 -5.363 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.671 -5.728 -6.312 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.150 -7.300 -5.697 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.342 -8.219 -4.591 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.647 -8.694 -4.733 1.00 0.00 H new ATOM 1284 N CYS A 84 5.058 -7.403 -9.938 1.00 0.00 N ATOM 1285 CA CYS A 84 4.896 -8.852 -9.781 1.00 0.00 C ATOM 1286 C CYS A 84 5.717 -9.617 -10.830 1.00 0.00 C ATOM 1287 O CYS A 84 5.895 -10.832 -10.721 1.00 0.00 O ATOM 1288 CB CYS A 84 3.423 -9.238 -9.928 1.00 0.00 C ATOM 1289 SG CYS A 84 3.122 -10.818 -9.095 1.00 0.00 S ATOM 0 H CYS A 84 4.242 -6.927 -10.322 1.00 0.00 H new ATOM 0 HA CYS A 84 5.253 -9.119 -8.786 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.789 -8.462 -9.498 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.161 -9.316 -10.983 1.00 0.00 H new ATOM 0 HG CYS A 84 1.869 -11.143 -9.220 1.00 0.00 H new