USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 ASN : amide:sc= 0.0968 X(o=-1,f=-1.5) USER MOD Set 1.2: A 62 GLN : amide:sc= -1.13 K(o=-1,f=-0.18) USER MOD Set 2.1: A 55 THR OG1 : rot -86:sc= 1.28 USER MOD Set 2.2: A 57 SER OG : rot -49:sc= 0.106 USER MOD Set 3.1: A 7 THR OG1 : rot -57:sc= 1.17 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0935 USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.000888) USER MOD Single : A 1 MET N :NH3+ 175:sc= 2.15 (180deg=2.06) USER MOD Single : A 2 GLN : amide:sc= -0.306 K(o=-0.31,f=-3.8!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 153:sc= 0.889 (180deg=-0.267!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -51:sc= 1.28 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.0565 X(o=0.056,f=-0.093) USER MOD Single : A 27 LYS NZ :NH3+ 150:sc= 0.365 (180deg=-0.207) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= 0.966 (180deg=0.739) USER MOD Single : A 31 GLN : amide:sc= -0.0141 K(o=-0.014,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ -123:sc= 1.23 (180deg=-0.032) USER MOD Single : A 40 GLN : amide:sc= 0.465 K(o=0.47,f=-0.73) USER MOD Single : A 41 GLN : amide:sc= 0.704 K(o=0.7,f=-5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.929 K(o=0.93,f=-4.9!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.174 USER MOD Single : A 63 LYS NZ :NH3+ -149:sc= -0.113 (180deg=-1.07) USER MOD Single : A 65 SER OG : rot 110:sc= 1.16 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.131 30.740 15.713 1.00 0.00 N ATOM 2 CA MET A 1 13.787 30.861 17.143 1.00 0.00 C ATOM 3 C MET A 1 15.073 31.187 17.906 1.00 0.00 C ATOM 4 O MET A 1 16.123 30.941 17.314 1.00 0.00 O ATOM 5 CB MET A 1 12.982 29.684 17.698 1.00 0.00 C ATOM 6 CG MET A 1 13.651 28.314 17.621 1.00 0.00 C ATOM 7 SD MET A 1 14.631 27.958 19.096 1.00 0.00 S ATOM 8 CE MET A 1 15.043 26.244 18.681 1.00 0.00 C ATOM 0 H1 MET A 1 13.292 30.435 15.179 1.00 0.00 H new ATOM 0 H2 MET A 1 14.454 31.661 15.354 1.00 0.00 H new ATOM 0 H3 MET A 1 14.889 30.038 15.597 1.00 0.00 H new ATOM 0 HA MET A 1 13.083 31.682 17.282 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.746 29.892 18.742 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.035 29.633 17.161 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.889 27.545 17.497 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.292 28.272 16.741 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.673 25.822 19.464 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.127 25.659 18.598 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.577 26.218 17.731 1.00 0.00 H new ATOM 20 N GLN A 2 15.000 31.938 18.995 1.00 0.00 N ATOM 21 CA GLN A 2 16.162 32.520 19.648 1.00 0.00 C ATOM 22 C GLN A 2 16.731 31.496 20.628 1.00 0.00 C ATOM 23 O GLN A 2 15.946 30.786 21.262 1.00 0.00 O ATOM 24 CB GLN A 2 15.664 33.724 20.450 1.00 0.00 C ATOM 25 CG GLN A 2 16.816 34.525 21.057 1.00 0.00 C ATOM 26 CD GLN A 2 16.395 35.783 21.795 1.00 0.00 C ATOM 27 OE1 GLN A 2 17.222 36.690 21.913 1.00 0.00 O ATOM 28 NE2 GLN A 2 15.137 35.927 22.208 1.00 0.00 N ATOM 0 H GLN A 2 14.119 32.163 19.456 1.00 0.00 H new ATOM 0 HA GLN A 2 16.923 32.807 18.922 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.074 34.372 19.802 1.00 0.00 H new ATOM 0 HB3 GLN A 2 15.002 33.381 21.245 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.364 33.882 21.746 1.00 0.00 H new ATOM 0 HG3 GLN A 2 17.507 34.801 20.261 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.473 35.160 22.098 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.837 36.804 22.634 1.00 0.00 H new ATOM 37 N ILE A 3 18.057 31.390 20.723 1.00 0.00 N ATOM 38 CA ILE A 3 18.842 30.780 21.773 1.00 0.00 C ATOM 39 C ILE A 3 20.013 31.623 22.300 1.00 0.00 C ATOM 40 O ILE A 3 20.225 32.668 21.689 1.00 0.00 O ATOM 41 CB ILE A 3 19.127 29.296 21.550 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.279 29.134 20.564 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.911 28.423 21.241 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.789 27.695 20.362 1.00 0.00 C ATOM 0 H ILE A 3 18.657 31.769 19.991 1.00 0.00 H new ATOM 0 HA ILE A 3 18.178 30.781 22.638 1.00 0.00 H new ATOM 0 HB ILE A 3 19.438 28.893 22.514 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.963 29.527 19.597 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.112 29.751 20.902 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.231 27.390 21.101 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.205 28.476 22.070 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.429 28.780 20.331 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.607 27.697 19.642 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.144 27.298 21.313 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.978 27.071 19.988 1.00 0.00 H new ATOM 56 N PHE A 4 20.674 31.163 23.363 1.00 0.00 N ATOM 57 CA PHE A 4 21.737 31.850 24.064 1.00 0.00 C ATOM 58 C PHE A 4 22.880 30.824 24.086 1.00 0.00 C ATOM 59 O PHE A 4 22.702 29.650 24.401 1.00 0.00 O ATOM 60 CB PHE A 4 21.362 32.331 25.472 1.00 0.00 C ATOM 61 CG PHE A 4 20.193 33.270 25.490 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.156 34.577 24.988 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.078 32.825 26.215 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.043 35.423 25.156 1.00 0.00 C ATOM 65 CE2 PHE A 4 17.942 33.630 26.281 1.00 0.00 C ATOM 66 CZ PHE A 4 17.892 34.945 25.788 1.00 0.00 C ATOM 0 H PHE A 4 20.464 30.253 23.772 1.00 0.00 H new ATOM 0 HA PHE A 4 22.001 32.781 23.562 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.133 31.466 26.094 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.223 32.827 25.920 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.015 34.951 24.451 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.099 31.869 26.717 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.079 36.441 24.797 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.052 33.221 26.736 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.008 35.556 25.892 1.00 0.00 H new ATOM 76 N VAL A 5 24.101 31.251 23.794 1.00 0.00 N ATOM 77 CA VAL A 5 25.308 30.444 23.846 1.00 0.00 C ATOM 78 C VAL A 5 26.282 31.234 24.727 1.00 0.00 C ATOM 79 O VAL A 5 26.584 32.384 24.454 1.00 0.00 O ATOM 80 CB VAL A 5 25.729 29.984 22.453 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.077 29.260 22.567 1.00 0.00 C ATOM 82 CG2 VAL A 5 24.887 29.038 21.600 1.00 0.00 C ATOM 0 H VAL A 5 24.283 32.211 23.502 1.00 0.00 H new ATOM 0 HA VAL A 5 25.206 29.468 24.320 1.00 0.00 H new ATOM 0 HB VAL A 5 25.667 30.941 21.934 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.394 28.924 21.580 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.823 29.942 22.975 1.00 0.00 H new ATOM 0 HG13 VAL A 5 26.973 28.399 23.227 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.392 28.857 20.651 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.755 28.093 22.127 1.00 0.00 H new ATOM 0 HG23 VAL A 5 23.912 29.488 21.412 1.00 0.00 H new ATOM 92 N LYS A 6 26.751 30.645 25.825 1.00 0.00 N ATOM 93 CA LYS A 6 27.562 31.196 26.896 1.00 0.00 C ATOM 94 C LYS A 6 28.984 30.780 26.527 1.00 0.00 C ATOM 95 O LYS A 6 29.283 29.769 25.891 1.00 0.00 O ATOM 96 CB LYS A 6 27.263 30.452 28.204 1.00 0.00 C ATOM 97 CG LYS A 6 27.833 31.026 29.502 1.00 0.00 C ATOM 98 CD LYS A 6 27.248 30.438 30.786 1.00 0.00 C ATOM 99 CE LYS A 6 27.845 31.037 32.056 1.00 0.00 C ATOM 100 NZ LYS A 6 27.162 32.258 32.508 1.00 0.00 N ATOM 0 H LYS A 6 26.546 29.661 26.000 1.00 0.00 H new ATOM 0 HA LYS A 6 27.394 32.266 27.015 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.180 30.390 28.313 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.632 29.432 28.100 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.911 30.868 29.508 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.669 32.104 29.507 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.170 30.597 30.791 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.411 29.360 30.790 1.00 0.00 H new ATOM 0 HE2 LYS A 6 27.806 30.293 32.852 1.00 0.00 H new ATOM 0 HE3 LYS A 6 28.897 31.262 31.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 27.618 32.611 33.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.221 32.984 31.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.163 32.044 32.705 1.00 0.00 H new ATOM 114 N THR A 7 29.909 31.574 27.061 1.00 0.00 N ATOM 115 CA THR A 7 31.331 31.399 26.816 1.00 0.00 C ATOM 116 C THR A 7 32.109 31.506 28.127 1.00 0.00 C ATOM 117 O THR A 7 31.598 32.041 29.107 1.00 0.00 O ATOM 118 CB THR A 7 31.791 32.466 25.817 1.00 0.00 C ATOM 119 OG1 THR A 7 31.648 33.759 26.351 1.00 0.00 O ATOM 120 CG2 THR A 7 31.088 32.312 24.474 1.00 0.00 C ATOM 0 H THR A 7 29.689 32.357 27.676 1.00 0.00 H new ATOM 0 HA THR A 7 31.520 30.410 26.398 1.00 0.00 H new ATOM 0 HB THR A 7 32.855 32.316 25.632 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.714 33.906 26.607 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.438 33.085 23.789 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.311 31.330 24.057 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.011 32.411 24.613 1.00 0.00 H new ATOM 128 N LEU A 8 33.205 30.775 28.317 1.00 0.00 N ATOM 129 CA LEU A 8 34.003 30.728 29.524 1.00 0.00 C ATOM 130 C LEU A 8 34.733 32.050 29.762 1.00 0.00 C ATOM 131 O LEU A 8 35.195 32.338 30.866 1.00 0.00 O ATOM 132 CB LEU A 8 35.163 29.749 29.365 1.00 0.00 C ATOM 133 CG LEU A 8 34.761 28.314 29.032 1.00 0.00 C ATOM 134 CD1 LEU A 8 35.894 27.407 28.566 1.00 0.00 C ATOM 135 CD2 LEU A 8 34.113 27.669 30.251 1.00 0.00 C ATOM 0 H LEU A 8 33.575 30.167 27.586 1.00 0.00 H new ATOM 0 HA LEU A 8 33.305 30.468 30.320 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.823 30.116 28.579 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.741 29.742 30.289 1.00 0.00 H new ATOM 0 HG LEU A 8 34.074 28.407 28.191 1.00 0.00 H new ATOM 0 HD11 LEU A 8 35.501 26.412 28.356 1.00 0.00 H new ATOM 0 HD12 LEU A 8 36.341 27.819 27.661 1.00 0.00 H new ATOM 0 HD13 LEU A 8 36.651 27.341 29.347 1.00 0.00 H new ATOM 0 HD21 LEU A 8 33.827 26.645 30.012 1.00 0.00 H new ATOM 0 HD22 LEU A 8 34.821 27.664 31.079 1.00 0.00 H new ATOM 0 HD23 LEU A 8 33.227 28.237 30.535 1.00 0.00 H new ATOM 147 N THR A 9 34.916 32.802 28.684 1.00 0.00 N ATOM 148 CA THR A 9 35.699 34.027 28.579 1.00 0.00 C ATOM 149 C THR A 9 34.858 35.198 29.076 1.00 0.00 C ATOM 150 O THR A 9 35.457 36.232 29.379 1.00 0.00 O ATOM 151 CB THR A 9 36.064 34.225 27.112 1.00 0.00 C ATOM 152 OG1 THR A 9 34.899 34.005 26.348 1.00 0.00 O ATOM 153 CG2 THR A 9 37.263 33.319 26.814 1.00 0.00 C ATOM 0 H THR A 9 34.488 32.552 27.792 1.00 0.00 H new ATOM 0 HA THR A 9 36.605 33.966 29.181 1.00 0.00 H new ATOM 0 HB THR A 9 36.389 35.233 26.852 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.103 34.127 25.397 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.555 33.433 25.770 1.00 0.00 H new ATOM 0 HG22 THR A 9 38.098 33.598 27.457 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.990 32.281 27.003 1.00 0.00 H new ATOM 161 N GLY A 10 33.538 35.048 29.149 1.00 0.00 N ATOM 162 CA GLY A 10 32.751 35.783 30.126 1.00 0.00 C ATOM 163 C GLY A 10 31.594 36.562 29.497 1.00 0.00 C ATOM 164 O GLY A 10 31.293 37.630 30.031 1.00 0.00 O ATOM 0 H GLY A 10 32.997 34.428 28.546 1.00 0.00 H new ATOM 0 HA2 GLY A 10 32.354 35.085 30.863 1.00 0.00 H new ATOM 0 HA3 GLY A 10 33.401 36.476 30.660 1.00 0.00 H new ATOM 168 N LYS A 11 30.981 36.111 28.402 1.00 0.00 N ATOM 169 CA LYS A 11 29.889 36.683 27.644 1.00 0.00 C ATOM 170 C LYS A 11 28.837 35.609 27.337 1.00 0.00 C ATOM 171 O LYS A 11 29.124 34.411 27.338 1.00 0.00 O ATOM 172 CB LYS A 11 30.355 37.581 26.500 1.00 0.00 C ATOM 173 CG LYS A 11 30.690 36.981 25.132 1.00 0.00 C ATOM 174 CD LYS A 11 31.347 38.064 24.284 1.00 0.00 C ATOM 175 CE LYS A 11 31.803 37.519 22.927 1.00 0.00 C ATOM 176 NZ LYS A 11 32.309 38.624 22.103 1.00 0.00 N ATOM 0 H LYS A 11 31.281 35.231 27.983 1.00 0.00 H new ATOM 0 HA LYS A 11 29.353 37.410 28.254 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.579 38.330 26.342 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.243 38.110 26.846 1.00 0.00 H new ATOM 0 HG2 LYS A 11 31.360 36.128 25.245 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.786 36.614 24.646 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.644 38.883 24.130 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.204 38.475 24.818 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.581 36.769 23.067 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.972 37.026 22.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 33.007 38.259 21.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 31.520 39.062 21.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 32.759 39.335 22.714 1.00 0.00 H new ATOM 190 N THR A 12 27.617 36.011 27.003 1.00 0.00 N ATOM 191 CA THR A 12 26.659 35.115 26.388 1.00 0.00 C ATOM 192 C THR A 12 26.377 35.886 25.093 1.00 0.00 C ATOM 193 O THR A 12 26.069 37.075 25.000 1.00 0.00 O ATOM 194 CB THR A 12 25.447 34.997 27.326 1.00 0.00 C ATOM 195 OG1 THR A 12 25.758 34.288 28.502 1.00 0.00 O ATOM 196 CG2 THR A 12 24.268 34.203 26.777 1.00 0.00 C ATOM 0 H THR A 12 27.271 36.959 27.151 1.00 0.00 H new ATOM 0 HA THR A 12 26.966 34.086 26.201 1.00 0.00 H new ATOM 0 HB THR A 12 25.187 36.045 27.476 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.963 34.236 29.073 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.468 34.181 27.517 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.905 34.675 25.864 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.586 33.184 26.557 1.00 0.00 H new ATOM 204 N ILE A 13 26.357 35.136 24.005 1.00 0.00 N ATOM 205 CA ILE A 13 25.897 35.533 22.692 1.00 0.00 C ATOM 206 C ILE A 13 24.467 35.005 22.593 1.00 0.00 C ATOM 207 O ILE A 13 24.231 33.920 23.112 1.00 0.00 O ATOM 208 CB ILE A 13 26.801 35.049 21.559 1.00 0.00 C ATOM 209 CG1 ILE A 13 27.296 33.600 21.647 1.00 0.00 C ATOM 210 CG2 ILE A 13 27.987 35.994 21.380 1.00 0.00 C ATOM 211 CD1 ILE A 13 27.831 33.053 20.318 1.00 0.00 C ATOM 0 H ILE A 13 26.684 34.170 24.020 1.00 0.00 H new ATOM 0 HA ILE A 13 25.928 36.616 22.575 1.00 0.00 H new ATOM 0 HB ILE A 13 26.150 35.061 20.685 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.083 33.539 22.399 1.00 0.00 H new ATOM 0 HG13 ILE A 13 26.478 32.965 21.989 1.00 0.00 H new ATOM 0 HG21 ILE A 13 28.620 35.634 20.569 1.00 0.00 H new ATOM 0 HG22 ILE A 13 27.623 36.993 21.140 1.00 0.00 H new ATOM 0 HG23 ILE A 13 28.566 36.031 22.303 1.00 0.00 H new ATOM 0 HD11 ILE A 13 28.163 32.024 20.455 1.00 0.00 H new ATOM 0 HD12 ILE A 13 27.041 33.082 19.568 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.670 33.664 19.985 1.00 0.00 H new ATOM 223 N THR A 14 23.700 35.721 21.773 1.00 0.00 N ATOM 224 CA THR A 14 22.407 35.244 21.305 1.00 0.00 C ATOM 225 C THR A 14 22.615 34.619 19.925 1.00 0.00 C ATOM 226 O THR A 14 23.410 35.067 19.098 1.00 0.00 O ATOM 227 CB THR A 14 21.533 36.494 21.214 1.00 0.00 C ATOM 228 OG1 THR A 14 21.463 37.101 22.477 1.00 0.00 O ATOM 229 CG2 THR A 14 20.113 36.116 20.780 1.00 0.00 C ATOM 0 H THR A 14 23.958 36.642 21.418 1.00 0.00 H new ATOM 0 HA THR A 14 21.949 34.497 21.954 1.00 0.00 H new ATOM 0 HB THR A 14 21.970 37.176 20.484 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.905 37.905 22.423 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.500 37.015 20.719 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.147 35.633 19.803 1.00 0.00 H new ATOM 0 HG23 THR A 14 19.680 35.431 21.509 1.00 0.00 H new ATOM 237 N LEU A 15 21.794 33.631 19.588 1.00 0.00 N ATOM 238 CA LEU A 15 21.788 32.886 18.341 1.00 0.00 C ATOM 239 C LEU A 15 20.322 32.734 17.907 1.00 0.00 C ATOM 240 O LEU A 15 19.420 32.857 18.728 1.00 0.00 O ATOM 241 CB LEU A 15 22.543 31.562 18.442 1.00 0.00 C ATOM 242 CG LEU A 15 23.451 31.392 17.231 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.754 32.181 17.350 1.00 0.00 C ATOM 244 CD2 LEU A 15 23.963 29.958 17.110 1.00 0.00 C ATOM 0 H LEU A 15 21.066 33.310 20.225 1.00 0.00 H new ATOM 0 HA LEU A 15 22.335 33.429 17.570 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.134 31.539 19.357 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.837 30.734 18.498 1.00 0.00 H new ATOM 0 HG LEU A 15 22.829 31.718 16.397 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.359 32.020 16.458 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.529 33.243 17.449 1.00 0.00 H new ATOM 0 HD13 LEU A 15 25.305 31.843 18.228 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.607 29.874 16.235 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.529 29.697 18.004 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.118 29.278 17.005 1.00 0.00 H new ATOM 256 N GLU A 16 20.132 32.512 16.607 1.00 0.00 N ATOM 257 CA GLU A 16 18.852 32.407 15.949 1.00 0.00 C ATOM 258 C GLU A 16 18.933 31.185 15.035 1.00 0.00 C ATOM 259 O GLU A 16 19.645 31.179 14.031 1.00 0.00 O ATOM 260 CB GLU A 16 18.518 33.715 15.227 1.00 0.00 C ATOM 261 CG GLU A 16 17.112 34.320 15.221 1.00 0.00 C ATOM 262 CD GLU A 16 16.029 33.536 14.500 1.00 0.00 C ATOM 263 OE1 GLU A 16 16.184 33.499 13.260 1.00 0.00 O ATOM 264 OE2 GLU A 16 15.008 33.144 15.092 1.00 0.00 O ATOM 0 H GLU A 16 20.913 32.396 15.961 1.00 0.00 H new ATOM 0 HA GLU A 16 18.029 32.262 16.649 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.182 34.475 15.638 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.801 33.575 14.184 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.798 34.459 16.256 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.171 35.311 14.770 1.00 0.00 H new ATOM 271 N VAL A 17 18.346 30.088 15.499 1.00 0.00 N ATOM 272 CA VAL A 17 18.357 28.738 14.963 1.00 0.00 C ATOM 273 C VAL A 17 16.956 28.234 14.606 1.00 0.00 C ATOM 274 O VAL A 17 15.966 28.566 15.252 1.00 0.00 O ATOM 275 CB VAL A 17 19.037 27.777 15.932 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.562 27.820 15.983 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.487 27.855 17.353 1.00 0.00 C ATOM 0 H VAL A 17 17.791 30.131 16.354 1.00 0.00 H new ATOM 0 HA VAL A 17 18.930 28.774 14.036 1.00 0.00 H new ATOM 0 HB VAL A 17 18.776 26.817 15.486 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.922 27.091 16.709 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.966 27.583 14.999 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.888 28.817 16.278 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.017 27.145 17.988 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.627 28.864 17.742 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.424 27.613 17.346 1.00 0.00 H new ATOM 287 N GLU A 18 16.841 27.436 13.550 1.00 0.00 N ATOM 288 CA GLU A 18 15.584 26.857 13.138 1.00 0.00 C ATOM 289 C GLU A 18 15.412 25.575 13.960 1.00 0.00 C ATOM 290 O GLU A 18 16.360 24.815 14.156 1.00 0.00 O ATOM 291 CB GLU A 18 15.653 26.565 11.635 1.00 0.00 C ATOM 292 CG GLU A 18 14.328 26.366 10.895 1.00 0.00 C ATOM 293 CD GLU A 18 13.596 25.053 11.088 1.00 0.00 C ATOM 294 OE1 GLU A 18 14.306 24.042 11.307 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.341 25.057 11.124 1.00 0.00 O ATOM 0 H GLU A 18 17.629 27.176 12.956 1.00 0.00 H new ATOM 0 HA GLU A 18 14.735 27.519 13.306 1.00 0.00 H new ATOM 0 HB2 GLU A 18 16.186 27.386 11.156 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.256 25.668 11.493 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.655 27.170 11.192 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.519 26.488 9.829 1.00 0.00 H new ATOM 302 N PRO A 19 14.293 25.204 14.562 1.00 0.00 N ATOM 303 CA PRO A 19 14.091 24.018 15.378 1.00 0.00 C ATOM 304 C PRO A 19 14.732 22.715 14.905 1.00 0.00 C ATOM 305 O PRO A 19 15.211 21.984 15.767 1.00 0.00 O ATOM 306 CB PRO A 19 12.579 23.832 15.514 1.00 0.00 C ATOM 307 CG PRO A 19 12.012 25.253 15.378 1.00 0.00 C ATOM 308 CD PRO A 19 13.053 25.964 14.528 1.00 0.00 C ATOM 0 HA PRO A 19 14.608 24.209 16.318 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.188 23.171 14.741 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.317 23.389 16.475 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.033 25.252 14.898 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.890 25.732 16.349 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.699 26.060 13.502 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.220 26.973 14.904 1.00 0.00 H new ATOM 316 N SER A 20 14.784 22.409 13.611 1.00 0.00 N ATOM 317 CA SER A 20 15.333 21.233 12.964 1.00 0.00 C ATOM 318 C SER A 20 16.694 21.321 12.263 1.00 0.00 C ATOM 319 O SER A 20 17.085 20.386 11.564 1.00 0.00 O ATOM 320 CB SER A 20 14.179 20.765 12.087 1.00 0.00 C ATOM 321 OG SER A 20 14.072 21.452 10.861 1.00 0.00 O ATOM 0 H SER A 20 14.399 23.053 12.920 1.00 0.00 H new ATOM 0 HA SER A 20 15.652 20.513 13.717 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.299 19.701 11.885 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.247 20.882 12.639 1.00 0.00 H new ATOM 0 HG SER A 20 14.077 22.418 11.026 1.00 0.00 H new ATOM 327 N ASP A 21 17.479 22.383 12.383 1.00 0.00 N ATOM 328 CA ASP A 21 18.859 22.549 11.954 1.00 0.00 C ATOM 329 C ASP A 21 19.657 21.705 12.941 1.00 0.00 C ATOM 330 O ASP A 21 19.552 21.803 14.165 1.00 0.00 O ATOM 331 CB ASP A 21 19.410 23.971 12.031 1.00 0.00 C ATOM 332 CG ASP A 21 19.170 24.887 10.836 1.00 0.00 C ATOM 333 OD1 ASP A 21 18.576 24.515 9.801 1.00 0.00 O ATOM 334 OD2 ASP A 21 19.609 26.061 10.908 1.00 0.00 O ATOM 0 H ASP A 21 17.130 23.232 12.827 1.00 0.00 H new ATOM 0 HA ASP A 21 18.927 22.270 10.903 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.983 24.450 12.912 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.486 23.906 12.194 1.00 0.00 H new ATOM 339 N THR A 22 20.617 21.002 12.343 1.00 0.00 N ATOM 340 CA THR A 22 21.671 20.200 12.922 1.00 0.00 C ATOM 341 C THR A 22 22.821 21.021 13.507 1.00 0.00 C ATOM 342 O THR A 22 22.997 22.219 13.261 1.00 0.00 O ATOM 343 CB THR A 22 22.267 19.201 11.933 1.00 0.00 C ATOM 344 OG1 THR A 22 22.967 19.781 10.861 1.00 0.00 O ATOM 345 CG2 THR A 22 21.261 18.300 11.203 1.00 0.00 C ATOM 0 H THR A 22 20.673 20.985 11.325 1.00 0.00 H new ATOM 0 HA THR A 22 21.169 19.669 13.731 1.00 0.00 H new ATOM 0 HB THR A 22 22.904 18.643 12.620 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.178 19.092 10.197 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.795 17.632 10.527 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.705 17.711 11.932 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.568 18.917 10.631 1.00 0.00 H new ATOM 353 N ILE A 23 23.610 20.382 14.358 1.00 0.00 N ATOM 354 CA ILE A 23 24.692 20.944 15.144 1.00 0.00 C ATOM 355 C ILE A 23 25.727 21.726 14.312 1.00 0.00 C ATOM 356 O ILE A 23 26.280 22.697 14.803 1.00 0.00 O ATOM 357 CB ILE A 23 25.302 19.863 16.029 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.407 18.881 16.790 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.330 20.452 17.000 1.00 0.00 C ATOM 360 CD1 ILE A 23 23.610 19.549 17.909 1.00 0.00 C ATOM 0 H ILE A 23 23.500 19.382 14.528 1.00 0.00 H new ATOM 0 HA ILE A 23 24.269 21.709 15.795 1.00 0.00 H new ATOM 0 HB ILE A 23 25.741 19.230 15.258 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.717 18.409 16.091 1.00 0.00 H new ATOM 0 HG13 ILE A 23 25.024 18.088 17.213 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.746 19.655 17.617 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.131 20.930 16.436 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.845 21.190 17.639 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.994 18.803 18.412 1.00 0.00 H new ATOM 0 HD12 ILE A 23 24.297 19.997 18.627 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.969 20.323 17.487 1.00 0.00 H new ATOM 372 N GLU A 24 26.035 21.281 13.098 1.00 0.00 N ATOM 373 CA GLU A 24 26.885 21.937 12.120 1.00 0.00 C ATOM 374 C GLU A 24 26.473 23.368 11.738 1.00 0.00 C ATOM 375 O GLU A 24 27.325 24.236 11.569 1.00 0.00 O ATOM 376 CB GLU A 24 27.208 20.988 10.981 1.00 0.00 C ATOM 377 CG GLU A 24 28.621 21.071 10.387 1.00 0.00 C ATOM 378 CD GLU A 24 29.631 20.744 11.482 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.551 19.719 12.175 1.00 0.00 O ATOM 380 OE2 GLU A 24 30.623 21.491 11.611 1.00 0.00 O ATOM 0 H GLU A 24 25.671 20.393 12.752 1.00 0.00 H new ATOM 0 HA GLU A 24 27.837 22.154 12.604 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.047 19.969 11.333 1.00 0.00 H new ATOM 0 HB3 GLU A 24 26.492 21.165 10.179 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.724 20.372 9.557 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.805 22.069 9.988 1.00 0.00 H new ATOM 387 N ASN A 25 25.155 23.537 11.642 1.00 0.00 N ATOM 388 CA ASN A 25 24.604 24.843 11.371 1.00 0.00 C ATOM 389 C ASN A 25 24.825 25.830 12.522 1.00 0.00 C ATOM 390 O ASN A 25 25.203 26.979 12.318 1.00 0.00 O ATOM 391 CB ASN A 25 23.105 24.732 11.093 1.00 0.00 C ATOM 392 CG ASN A 25 22.821 24.382 9.646 1.00 0.00 C ATOM 393 OD1 ASN A 25 23.376 23.455 9.053 1.00 0.00 O ATOM 394 ND2 ASN A 25 21.863 25.080 9.049 1.00 0.00 N ATOM 0 H ASN A 25 24.466 22.792 11.748 1.00 0.00 H new ATOM 0 HA ASN A 25 25.129 25.228 10.497 1.00 0.00 H new ATOM 0 HB2 ASN A 25 22.671 23.971 11.742 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.619 25.676 11.340 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.583 24.850 8.095 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.407 25.846 9.544 1.00 0.00 H new ATOM 401 N VAL A 26 24.607 25.375 13.759 1.00 0.00 N ATOM 402 CA VAL A 26 24.847 26.084 15.001 1.00 0.00 C ATOM 403 C VAL A 26 26.283 26.610 15.040 1.00 0.00 C ATOM 404 O VAL A 26 26.474 27.818 15.157 1.00 0.00 O ATOM 405 CB VAL A 26 24.447 25.391 16.296 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.567 26.271 17.551 1.00 0.00 C ATOM 407 CG2 VAL A 26 23.025 24.861 16.108 1.00 0.00 C ATOM 0 H VAL A 26 24.234 24.440 13.921 1.00 0.00 H new ATOM 0 HA VAL A 26 24.141 26.914 14.974 1.00 0.00 H new ATOM 0 HB VAL A 26 25.149 24.579 16.484 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.262 25.699 18.427 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.601 26.595 17.671 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.923 27.144 17.446 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.702 24.356 17.018 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.352 25.692 15.895 1.00 0.00 H new ATOM 0 HG23 VAL A 26 23.006 24.157 15.276 1.00 0.00 H new ATOM 417 N LYS A 27 27.221 25.695 14.806 1.00 0.00 N ATOM 418 CA LYS A 27 28.649 25.932 14.802 1.00 0.00 C ATOM 419 C LYS A 27 29.051 26.995 13.768 1.00 0.00 C ATOM 420 O LYS A 27 29.912 27.834 14.012 1.00 0.00 O ATOM 421 CB LYS A 27 29.354 24.594 14.597 1.00 0.00 C ATOM 422 CG LYS A 27 29.266 23.631 15.781 1.00 0.00 C ATOM 423 CD LYS A 27 29.609 22.191 15.401 1.00 0.00 C ATOM 424 CE LYS A 27 31.052 22.011 14.947 1.00 0.00 C ATOM 425 NZ LYS A 27 31.339 20.683 14.369 1.00 0.00 N ATOM 0 H LYS A 27 26.986 24.723 14.605 1.00 0.00 H new ATOM 0 HA LYS A 27 28.962 26.347 15.760 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.929 24.107 13.719 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.405 24.783 14.379 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.943 23.966 16.567 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.258 23.662 16.195 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.422 21.543 16.257 1.00 0.00 H new ATOM 0 HD3 LYS A 27 28.942 21.865 14.603 1.00 0.00 H new ATOM 0 HE2 LYS A 27 31.287 22.776 14.207 1.00 0.00 H new ATOM 0 HE3 LYS A 27 31.713 22.176 15.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 32.094 20.769 13.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.644 20.035 15.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.481 20.308 13.917 1.00 0.00 H new ATOM 439 N ALA A 28 28.475 26.956 12.575 1.00 0.00 N ATOM 440 CA ALA A 28 28.697 27.910 11.506 1.00 0.00 C ATOM 441 C ALA A 28 28.200 29.317 11.860 1.00 0.00 C ATOM 442 O ALA A 28 28.804 30.252 11.353 1.00 0.00 O ATOM 443 CB ALA A 28 27.892 27.385 10.314 1.00 0.00 C ATOM 0 H ALA A 28 27.812 26.225 12.318 1.00 0.00 H new ATOM 0 HA ALA A 28 29.764 27.999 11.304 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.014 28.060 9.467 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.251 26.392 10.042 1.00 0.00 H new ATOM 0 HB3 ALA A 28 26.837 27.329 10.584 1.00 0.00 H new ATOM 449 N LYS A 29 27.157 29.533 12.655 1.00 0.00 N ATOM 450 CA LYS A 29 26.726 30.871 12.998 1.00 0.00 C ATOM 451 C LYS A 29 27.645 31.504 14.048 1.00 0.00 C ATOM 452 O LYS A 29 27.936 32.695 14.015 1.00 0.00 O ATOM 453 CB LYS A 29 25.278 30.909 13.486 1.00 0.00 C ATOM 454 CG LYS A 29 24.268 30.542 12.389 1.00 0.00 C ATOM 455 CD LYS A 29 22.937 31.261 12.538 1.00 0.00 C ATOM 456 CE LYS A 29 22.104 30.943 11.297 1.00 0.00 C ATOM 457 NZ LYS A 29 20.748 31.521 11.377 1.00 0.00 N ATOM 0 H LYS A 29 26.596 28.790 13.072 1.00 0.00 H new ATOM 0 HA LYS A 29 26.786 31.454 12.079 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.164 30.220 14.323 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.052 31.907 13.861 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.696 30.781 11.415 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.097 29.466 12.407 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.422 30.932 13.441 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.090 32.336 12.632 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.611 31.328 10.412 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.031 29.862 11.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.123 31.035 10.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.376 31.402 12.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.788 32.534 11.144 1.00 0.00 H new ATOM 471 N ILE A 30 28.187 30.697 14.959 1.00 0.00 N ATOM 472 CA ILE A 30 29.168 30.984 15.994 1.00 0.00 C ATOM 473 C ILE A 30 30.507 31.388 15.373 1.00 0.00 C ATOM 474 O ILE A 30 31.152 32.372 15.742 1.00 0.00 O ATOM 475 CB ILE A 30 29.183 29.753 16.893 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.843 29.558 17.609 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.417 29.676 17.783 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.787 28.290 18.472 1.00 0.00 C ATOM 0 H ILE A 30 27.915 29.714 14.989 1.00 0.00 H new ATOM 0 HA ILE A 30 28.922 31.849 16.610 1.00 0.00 H new ATOM 0 HB ILE A 30 29.287 28.878 16.251 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.648 30.426 18.239 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.046 29.518 16.866 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.367 28.777 18.398 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.312 29.641 17.162 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.456 30.555 18.427 1.00 0.00 H new ATOM 0 HD11 ILE A 30 26.809 28.217 18.949 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.951 27.415 17.843 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.561 28.337 19.238 1.00 0.00 H new ATOM 490 N GLN A 31 30.910 30.654 14.337 1.00 0.00 N ATOM 491 CA GLN A 31 32.092 30.906 13.544 1.00 0.00 C ATOM 492 C GLN A 31 32.043 32.262 12.839 1.00 0.00 C ATOM 493 O GLN A 31 32.984 33.055 12.871 1.00 0.00 O ATOM 494 CB GLN A 31 32.258 29.749 12.566 1.00 0.00 C ATOM 495 CG GLN A 31 33.465 29.980 11.655 1.00 0.00 C ATOM 496 CD GLN A 31 33.405 28.935 10.552 1.00 0.00 C ATOM 497 OE1 GLN A 31 32.502 28.113 10.403 1.00 0.00 O ATOM 498 NE2 GLN A 31 34.432 28.969 9.698 1.00 0.00 N ATOM 0 H GLN A 31 30.393 29.834 14.021 1.00 0.00 H new ATOM 0 HA GLN A 31 32.964 30.961 14.196 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.385 28.817 13.116 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.356 29.644 11.963 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.442 30.985 11.234 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.394 29.892 12.218 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.179 29.652 9.825 1.00 0.00 H new ATOM 0 HE22 GLN A 31 34.469 28.312 8.919 1.00 0.00 H new ATOM 507 N ASP A 32 30.963 32.520 12.100 1.00 0.00 N ATOM 508 CA ASP A 32 30.606 33.676 11.299 1.00 0.00 C ATOM 509 C ASP A 32 30.703 34.979 12.098 1.00 0.00 C ATOM 510 O ASP A 32 31.157 35.941 11.494 1.00 0.00 O ATOM 511 CB ASP A 32 29.240 33.492 10.635 1.00 0.00 C ATOM 512 CG ASP A 32 28.634 34.739 9.988 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.074 35.060 8.867 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.569 35.239 10.410 1.00 0.00 O ATOM 0 H ASP A 32 30.222 31.821 12.048 1.00 0.00 H new ATOM 0 HA ASP A 32 31.338 33.759 10.496 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.331 32.719 9.872 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.541 33.120 11.384 1.00 0.00 H new ATOM 519 N LYS A 33 30.285 34.934 13.365 1.00 0.00 N ATOM 520 CA LYS A 33 30.266 36.046 14.288 1.00 0.00 C ATOM 521 C LYS A 33 31.549 36.271 15.084 1.00 0.00 C ATOM 522 O LYS A 33 32.052 37.391 15.033 1.00 0.00 O ATOM 523 CB LYS A 33 29.132 35.866 15.295 1.00 0.00 C ATOM 524 CG LYS A 33 27.922 36.649 14.781 1.00 0.00 C ATOM 525 CD LYS A 33 27.168 36.014 13.617 1.00 0.00 C ATOM 526 CE LYS A 33 26.003 36.915 13.235 1.00 0.00 C ATOM 527 NZ LYS A 33 25.675 36.670 11.821 1.00 0.00 N ATOM 0 H LYS A 33 29.935 34.073 13.786 1.00 0.00 H new ATOM 0 HA LYS A 33 30.135 36.919 13.648 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.884 34.810 15.407 1.00 0.00 H new ATOM 0 HB3 LYS A 33 29.433 36.229 16.278 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.225 36.789 15.608 1.00 0.00 H new ATOM 0 HG3 LYS A 33 28.257 37.640 14.475 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.835 35.878 12.765 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.804 35.026 13.898 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.139 36.708 13.867 1.00 0.00 H new ATOM 0 HE3 LYS A 33 26.266 37.962 13.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.735 37.563 11.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 26.348 35.985 11.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.710 36.289 11.749 1.00 0.00 H new ATOM 541 N GLU A 34 32.115 35.262 15.741 1.00 0.00 N ATOM 542 CA GLU A 34 33.146 35.323 16.747 1.00 0.00 C ATOM 543 C GLU A 34 34.481 34.695 16.354 1.00 0.00 C ATOM 544 O GLU A 34 35.475 34.998 17.009 1.00 0.00 O ATOM 545 CB GLU A 34 32.823 34.679 18.099 1.00 0.00 C ATOM 546 CG GLU A 34 31.885 35.482 18.999 1.00 0.00 C ATOM 547 CD GLU A 34 32.460 36.805 19.473 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.254 36.744 20.429 1.00 0.00 O ATOM 549 OE2 GLU A 34 32.063 37.921 19.072 1.00 0.00 O ATOM 0 H GLU A 34 31.831 34.299 15.559 1.00 0.00 H new ATOM 0 HA GLU A 34 33.210 36.407 16.837 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.378 33.701 17.919 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.757 34.510 18.635 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.958 35.674 18.459 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.628 34.878 19.869 1.00 0.00 H new ATOM 556 N GLY A 35 34.624 34.027 15.211 1.00 0.00 N ATOM 557 CA GLY A 35 35.802 33.747 14.421 1.00 0.00 C ATOM 558 C GLY A 35 36.178 32.266 14.539 1.00 0.00 C ATOM 559 O GLY A 35 36.970 31.765 13.757 1.00 0.00 O ATOM 0 H GLY A 35 33.801 33.620 14.767 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.618 34.001 13.377 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.631 34.368 14.759 1.00 0.00 H new ATOM 563 N ILE A 36 35.673 31.526 15.524 1.00 0.00 N ATOM 564 CA ILE A 36 36.208 30.243 15.914 1.00 0.00 C ATOM 565 C ILE A 36 35.819 29.167 14.889 1.00 0.00 C ATOM 566 O ILE A 36 34.623 28.997 14.673 1.00 0.00 O ATOM 567 CB ILE A 36 35.722 30.008 17.339 1.00 0.00 C ATOM 568 CG1 ILE A 36 36.308 30.962 18.388 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.962 28.578 17.804 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.261 32.022 18.696 1.00 0.00 C ATOM 0 H ILE A 36 34.866 31.815 16.077 1.00 0.00 H new ATOM 0 HA ILE A 36 37.297 30.204 15.917 1.00 0.00 H new ATOM 0 HB ILE A 36 34.653 30.211 17.272 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.575 30.416 19.293 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.221 31.425 18.014 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.599 28.462 18.825 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.430 27.888 17.149 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.029 28.359 17.772 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.653 32.715 19.441 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.017 32.568 17.785 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.362 31.543 19.083 1.00 0.00 H new ATOM 582 N PRO A 37 36.769 28.471 14.269 1.00 0.00 N ATOM 583 CA PRO A 37 36.481 27.428 13.303 1.00 0.00 C ATOM 584 C PRO A 37 35.902 26.190 13.982 1.00 0.00 C ATOM 585 O PRO A 37 36.088 25.987 15.172 1.00 0.00 O ATOM 586 CB PRO A 37 37.880 27.163 12.746 1.00 0.00 C ATOM 587 CG PRO A 37 38.955 27.610 13.736 1.00 0.00 C ATOM 588 CD PRO A 37 38.182 28.656 14.536 1.00 0.00 C ATOM 0 HA PRO A 37 35.740 27.696 12.550 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.996 26.100 12.533 1.00 0.00 H new ATOM 0 HB3 PRO A 37 38.006 27.693 11.802 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.310 26.790 14.360 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.828 28.032 13.237 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.386 28.548 15.601 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.495 29.661 14.252 1.00 0.00 H new ATOM 596 N PRO A 38 35.035 25.441 13.292 1.00 0.00 N ATOM 597 CA PRO A 38 34.137 24.460 13.862 1.00 0.00 C ATOM 598 C PRO A 38 34.785 23.299 14.632 1.00 0.00 C ATOM 599 O PRO A 38 34.349 22.884 15.706 1.00 0.00 O ATOM 600 CB PRO A 38 33.399 23.866 12.659 1.00 0.00 C ATOM 601 CG PRO A 38 34.288 24.266 11.490 1.00 0.00 C ATOM 602 CD PRO A 38 35.024 25.555 11.851 1.00 0.00 C ATOM 0 HA PRO A 38 33.523 24.970 14.605 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.299 22.784 12.740 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.393 24.273 12.560 1.00 0.00 H new ATOM 0 HG2 PRO A 38 35.002 23.472 11.270 1.00 0.00 H new ATOM 0 HG3 PRO A 38 33.688 24.413 10.592 1.00 0.00 H new ATOM 0 HD2 PRO A 38 36.028 25.594 11.428 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.498 26.446 11.507 1.00 0.00 H new ATOM 610 N ASP A 39 35.970 22.934 14.168 1.00 0.00 N ATOM 611 CA ASP A 39 36.852 21.933 14.725 1.00 0.00 C ATOM 612 C ASP A 39 37.570 22.333 16.023 1.00 0.00 C ATOM 613 O ASP A 39 38.200 21.510 16.681 1.00 0.00 O ATOM 614 CB ASP A 39 37.871 21.307 13.768 1.00 0.00 C ATOM 615 CG ASP A 39 37.250 20.575 12.600 1.00 0.00 C ATOM 616 OD1 ASP A 39 36.519 19.554 12.685 1.00 0.00 O ATOM 617 OD2 ASP A 39 37.420 20.983 11.430 1.00 0.00 O ATOM 0 H ASP A 39 36.364 23.364 13.331 1.00 0.00 H new ATOM 0 HA ASP A 39 36.114 21.165 14.958 1.00 0.00 H new ATOM 0 HB2 ASP A 39 38.524 22.091 13.386 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.499 20.613 14.326 1.00 0.00 H new ATOM 622 N GLN A 40 37.367 23.578 16.431 1.00 0.00 N ATOM 623 CA GLN A 40 37.809 24.084 17.708 1.00 0.00 C ATOM 624 C GLN A 40 36.668 24.340 18.703 1.00 0.00 C ATOM 625 O GLN A 40 36.904 24.597 19.876 1.00 0.00 O ATOM 626 CB GLN A 40 38.560 25.373 17.367 1.00 0.00 C ATOM 627 CG GLN A 40 39.192 26.028 18.588 1.00 0.00 C ATOM 628 CD GLN A 40 40.269 27.058 18.286 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.367 27.587 17.186 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.113 27.336 19.278 1.00 0.00 N ATOM 0 H GLN A 40 36.879 24.273 15.866 1.00 0.00 H new ATOM 0 HA GLN A 40 38.432 23.350 18.220 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.337 25.153 16.635 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.871 26.076 16.899 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.406 26.508 19.171 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.623 25.249 19.216 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.005 26.878 20.183 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.868 28.007 19.133 1.00 0.00 H new ATOM 639 N GLN A 41 35.437 24.315 18.219 1.00 0.00 N ATOM 640 CA GLN A 41 34.311 24.548 19.105 1.00 0.00 C ATOM 641 C GLN A 41 33.881 23.293 19.870 1.00 0.00 C ATOM 642 O GLN A 41 34.143 22.190 19.394 1.00 0.00 O ATOM 643 CB GLN A 41 33.108 24.992 18.279 1.00 0.00 C ATOM 644 CG GLN A 41 33.262 26.349 17.594 1.00 0.00 C ATOM 645 CD GLN A 41 32.090 26.683 16.684 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.957 26.293 16.943 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.311 27.517 15.678 1.00 0.00 N ATOM 0 H GLN A 41 35.196 24.140 17.243 1.00 0.00 H new ATOM 0 HA GLN A 41 34.633 25.304 19.821 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.910 24.238 17.517 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.233 25.026 18.928 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.360 27.125 18.353 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.183 26.355 17.011 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.260 27.832 15.476 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.532 27.844 15.106 1.00 0.00 H new ATOM 656 N ARG A 42 33.122 23.345 20.959 1.00 0.00 N ATOM 657 CA ARG A 42 32.574 22.228 21.709 1.00 0.00 C ATOM 658 C ARG A 42 31.280 22.734 22.360 1.00 0.00 C ATOM 659 O ARG A 42 31.421 23.502 23.318 1.00 0.00 O ATOM 660 CB ARG A 42 33.682 21.592 22.541 1.00 0.00 C ATOM 661 CG ARG A 42 33.360 21.031 23.921 1.00 0.00 C ATOM 662 CD ARG A 42 34.677 20.612 24.567 1.00 0.00 C ATOM 663 NE ARG A 42 34.711 19.181 24.830 1.00 0.00 N ATOM 664 CZ ARG A 42 35.684 18.530 25.498 1.00 0.00 C ATOM 665 NH1 ARG A 42 36.761 19.139 26.011 1.00 0.00 N ATOM 666 NH2 ARG A 42 35.519 17.222 25.748 1.00 0.00 N ATOM 0 H ARG A 42 32.855 24.240 21.369 1.00 0.00 H new ATOM 0 HA ARG A 42 32.243 21.363 21.133 1.00 0.00 H new ATOM 0 HB2 ARG A 42 34.108 20.781 21.951 1.00 0.00 H new ATOM 0 HB3 ARG A 42 34.465 22.340 22.668 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.856 21.780 24.531 1.00 0.00 H new ATOM 0 HG3 ARG A 42 32.685 20.179 23.840 1.00 0.00 H new ATOM 0 HD2 ARG A 42 35.506 20.883 23.913 1.00 0.00 H new ATOM 0 HD3 ARG A 42 34.815 21.158 25.500 1.00 0.00 H new ATOM 0 HE ARG A 42 33.932 18.623 24.479 1.00 0.00 H new ATOM 0 HH11 ARG A 42 36.876 20.147 25.905 1.00 0.00 H new ATOM 0 HH12 ARG A 42 37.466 18.595 26.508 1.00 0.00 H new ATOM 0 HH21 ARG A 42 34.673 16.746 25.434 1.00 0.00 H new ATOM 0 HH22 ARG A 42 36.239 16.704 26.252 1.00 0.00 H new ATOM 680 N LEU A 43 30.141 22.355 21.784 1.00 0.00 N ATOM 681 CA LEU A 43 28.822 22.723 22.245 1.00 0.00 C ATOM 682 C LEU A 43 28.236 21.798 23.307 1.00 0.00 C ATOM 683 O LEU A 43 28.104 20.597 23.085 1.00 0.00 O ATOM 684 CB LEU A 43 27.787 22.738 21.126 1.00 0.00 C ATOM 685 CG LEU A 43 27.986 23.810 20.051 1.00 0.00 C ATOM 686 CD1 LEU A 43 26.916 23.972 18.974 1.00 0.00 C ATOM 687 CD2 LEU A 43 28.261 25.134 20.767 1.00 0.00 C ATOM 0 H LEU A 43 30.120 21.762 20.954 1.00 0.00 H new ATOM 0 HA LEU A 43 28.997 23.715 22.661 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.787 21.761 20.643 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.801 22.874 21.570 1.00 0.00 H new ATOM 0 HG LEU A 43 28.826 23.460 19.451 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.205 24.770 18.291 1.00 0.00 H new ATOM 0 HD12 LEU A 43 26.814 23.039 18.419 1.00 0.00 H new ATOM 0 HD13 LEU A 43 25.964 24.222 19.442 1.00 0.00 H new ATOM 0 HD21 LEU A 43 28.408 25.923 20.029 1.00 0.00 H new ATOM 0 HD22 LEU A 43 27.413 25.386 21.404 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.158 25.037 21.379 1.00 0.00 H new ATOM 699 N ILE A 44 28.064 22.330 24.512 1.00 0.00 N ATOM 700 CA ILE A 44 27.759 21.727 25.795 1.00 0.00 C ATOM 701 C ILE A 44 26.437 22.351 26.269 1.00 0.00 C ATOM 702 O ILE A 44 26.055 23.501 26.079 1.00 0.00 O ATOM 703 CB ILE A 44 28.922 21.753 26.775 1.00 0.00 C ATOM 704 CG1 ILE A 44 30.149 21.043 26.193 1.00 0.00 C ATOM 705 CG2 ILE A 44 28.518 20.996 28.042 1.00 0.00 C ATOM 706 CD1 ILE A 44 31.427 20.838 27.000 1.00 0.00 C ATOM 0 H ILE A 44 28.149 23.341 24.620 1.00 0.00 H new ATOM 0 HA ILE A 44 27.612 20.651 25.708 1.00 0.00 H new ATOM 0 HB ILE A 44 29.165 22.795 26.984 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.818 20.055 25.874 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.431 21.590 25.293 1.00 0.00 H new ATOM 0 HG21 ILE A 44 29.345 21.008 28.752 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.648 21.475 28.490 1.00 0.00 H new ATOM 0 HG23 ILE A 44 28.274 19.965 27.787 1.00 0.00 H new ATOM 0 HD11 ILE A 44 32.162 20.314 26.390 1.00 0.00 H new ATOM 0 HD12 ILE A 44 31.828 21.807 27.299 1.00 0.00 H new ATOM 0 HD13 ILE A 44 31.205 20.247 27.889 1.00 0.00 H new ATOM 718 N PHE A 45 25.587 21.492 26.831 1.00 0.00 N ATOM 719 CA PHE A 45 24.229 21.779 27.230 1.00 0.00 C ATOM 720 C PHE A 45 23.892 20.772 28.330 1.00 0.00 C ATOM 721 O PHE A 45 24.779 20.172 28.927 1.00 0.00 O ATOM 722 CB PHE A 45 23.353 21.778 25.976 1.00 0.00 C ATOM 723 CG PHE A 45 21.888 22.075 26.184 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.412 23.370 26.453 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.956 21.029 26.179 1.00 0.00 C ATOM 726 CE1 PHE A 45 20.060 23.572 26.755 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.601 21.277 26.409 1.00 0.00 C ATOM 728 CZ PHE A 45 19.096 22.548 26.706 1.00 0.00 C ATOM 0 H PHE A 45 25.852 20.527 27.026 1.00 0.00 H new ATOM 0 HA PHE A 45 24.060 22.765 27.663 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.755 22.512 25.277 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.440 20.802 25.499 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.090 24.210 26.427 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.290 20.018 25.995 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.741 24.564 27.040 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.910 20.449 26.355 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.046 22.729 26.884 1.00 0.00 H new ATOM 738 N ALA A 46 22.635 20.846 28.775 1.00 0.00 N ATOM 739 CA ALA A 46 22.161 20.163 29.963 1.00 0.00 C ATOM 740 C ALA A 46 22.411 18.656 29.837 1.00 0.00 C ATOM 741 O ALA A 46 22.027 17.962 28.903 1.00 0.00 O ATOM 742 CB ALA A 46 20.719 20.551 30.270 1.00 0.00 C ATOM 0 H ALA A 46 21.913 21.393 28.306 1.00 0.00 H new ATOM 0 HA ALA A 46 22.729 20.484 30.836 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.384 20.027 31.165 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.659 21.627 30.435 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.082 20.277 29.429 1.00 0.00 H new ATOM 748 N GLY A 47 23.317 18.195 30.694 1.00 0.00 N ATOM 749 CA GLY A 47 23.817 16.838 30.751 1.00 0.00 C ATOM 750 C GLY A 47 25.325 16.904 30.488 1.00 0.00 C ATOM 751 O GLY A 47 26.181 16.975 31.366 1.00 0.00 O ATOM 0 H GLY A 47 23.740 18.795 31.402 1.00 0.00 H new ATOM 0 HA2 GLY A 47 23.615 16.393 31.725 1.00 0.00 H new ATOM 0 HA3 GLY A 47 23.323 16.213 30.007 1.00 0.00 H new ATOM 755 N LYS A 48 25.663 17.045 29.211 1.00 0.00 N ATOM 756 CA LYS A 48 26.954 16.785 28.593 1.00 0.00 C ATOM 757 C LYS A 48 26.875 17.450 27.220 1.00 0.00 C ATOM 758 O LYS A 48 25.940 18.165 26.876 1.00 0.00 O ATOM 759 CB LYS A 48 27.206 15.282 28.548 1.00 0.00 C ATOM 760 CG LYS A 48 26.303 14.473 27.605 1.00 0.00 C ATOM 761 CD LYS A 48 25.648 13.191 28.107 1.00 0.00 C ATOM 762 CE LYS A 48 24.887 12.455 27.016 1.00 0.00 C ATOM 763 NZ LYS A 48 24.323 11.167 27.436 1.00 0.00 N ATOM 0 H LYS A 48 24.982 17.372 28.526 1.00 0.00 H new ATOM 0 HA LYS A 48 27.802 17.192 29.144 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.243 15.117 28.256 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.092 14.885 29.557 1.00 0.00 H new ATOM 0 HG2 LYS A 48 25.506 15.136 27.268 1.00 0.00 H new ATOM 0 HG3 LYS A 48 26.896 14.215 26.728 1.00 0.00 H new ATOM 0 HD2 LYS A 48 26.414 12.533 28.517 1.00 0.00 H new ATOM 0 HD3 LYS A 48 24.965 13.432 28.922 1.00 0.00 H new ATOM 0 HE2 LYS A 48 24.079 13.093 26.659 1.00 0.00 H new ATOM 0 HE3 LYS A 48 25.556 12.287 26.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 23.821 10.730 26.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 25.090 10.538 27.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 23.658 11.319 28.221 1.00 0.00 H new ATOM 777 N GLN A 49 27.931 17.147 26.469 1.00 0.00 N ATOM 778 CA GLN A 49 28.306 17.579 25.138 1.00 0.00 C ATOM 779 C GLN A 49 27.257 17.115 24.120 1.00 0.00 C ATOM 780 O GLN A 49 26.539 16.155 24.366 1.00 0.00 O ATOM 781 CB GLN A 49 29.691 16.998 24.870 1.00 0.00 C ATOM 782 CG GLN A 49 30.228 17.274 23.468 1.00 0.00 C ATOM 783 CD GLN A 49 31.731 17.083 23.392 1.00 0.00 C ATOM 784 OE1 GLN A 49 32.572 17.663 24.074 1.00 0.00 O ATOM 785 NE2 GLN A 49 32.076 16.064 22.610 1.00 0.00 N ATOM 0 H GLN A 49 28.634 16.506 26.837 1.00 0.00 H new ATOM 0 HA GLN A 49 28.345 18.665 25.050 1.00 0.00 H new ATOM 0 HB2 GLN A 49 30.390 17.405 25.601 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.657 15.920 25.027 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.741 16.609 22.755 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.976 18.294 23.177 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.369 15.590 22.048 1.00 0.00 H new ATOM 0 HE22 GLN A 49 33.048 15.756 22.572 1.00 0.00 H new ATOM 794 N LEU A 50 27.081 17.908 23.056 1.00 0.00 N ATOM 795 CA LEU A 50 26.181 17.543 21.981 1.00 0.00 C ATOM 796 C LEU A 50 26.911 16.809 20.847 1.00 0.00 C ATOM 797 O LEU A 50 28.115 16.930 20.642 1.00 0.00 O ATOM 798 CB LEU A 50 25.584 18.871 21.503 1.00 0.00 C ATOM 799 CG LEU A 50 24.851 19.633 22.605 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.408 21.012 22.122 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.572 18.949 23.099 1.00 0.00 C ATOM 0 H LEU A 50 27.554 18.803 22.926 1.00 0.00 H new ATOM 0 HA LEU A 50 25.412 16.847 22.316 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.382 19.498 21.105 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.893 18.677 20.683 1.00 0.00 H new ATOM 0 HG LEU A 50 25.580 19.681 23.414 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.889 21.531 22.928 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.282 21.590 21.822 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.736 20.901 21.271 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.114 19.555 23.880 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.874 18.839 22.269 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.817 17.965 23.500 1.00 0.00 H new ATOM 813 N GLU A 51 26.127 15.909 20.260 1.00 0.00 N ATOM 814 CA GLU A 51 26.584 15.012 19.214 1.00 0.00 C ATOM 815 C GLU A 51 25.997 15.267 17.821 1.00 0.00 C ATOM 816 O GLU A 51 24.919 15.853 17.748 1.00 0.00 O ATOM 817 CB GLU A 51 26.225 13.627 19.738 1.00 0.00 C ATOM 818 CG GLU A 51 26.706 12.381 18.986 1.00 0.00 C ATOM 819 CD GLU A 51 28.217 12.253 19.120 1.00 0.00 C ATOM 820 OE1 GLU A 51 28.899 12.903 18.296 1.00 0.00 O ATOM 821 OE2 GLU A 51 28.637 11.459 19.988 1.00 0.00 O ATOM 0 H GLU A 51 25.144 15.784 20.504 1.00 0.00 H new ATOM 0 HA GLU A 51 27.650 15.154 19.036 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.602 13.557 20.758 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.138 13.573 19.796 1.00 0.00 H new ATOM 0 HG2 GLU A 51 26.219 11.492 19.387 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.429 12.450 17.934 1.00 0.00 H new ATOM 828 N ASP A 52 26.639 14.835 16.741 1.00 0.00 N ATOM 829 CA ASP A 52 26.394 15.076 15.333 1.00 0.00 C ATOM 830 C ASP A 52 25.162 14.324 14.818 1.00 0.00 C ATOM 831 O ASP A 52 25.007 13.129 15.046 1.00 0.00 O ATOM 832 CB ASP A 52 27.683 14.790 14.575 1.00 0.00 C ATOM 833 CG ASP A 52 28.914 15.607 14.957 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.005 16.532 15.786 1.00 0.00 O ATOM 835 OD2 ASP A 52 29.970 15.342 14.346 1.00 0.00 O ATOM 0 H ASP A 52 27.450 14.227 16.855 1.00 0.00 H new ATOM 0 HA ASP A 52 26.132 16.120 15.163 1.00 0.00 H new ATOM 0 HB2 ASP A 52 27.924 13.735 14.705 1.00 0.00 H new ATOM 0 HB3 ASP A 52 27.492 14.944 13.513 1.00 0.00 H new ATOM 840 N GLY A 53 24.336 15.009 14.043 1.00 0.00 N ATOM 841 CA GLY A 53 23.229 14.464 13.273 1.00 0.00 C ATOM 842 C GLY A 53 21.923 14.927 13.925 1.00 0.00 C ATOM 843 O GLY A 53 20.932 15.040 13.209 1.00 0.00 O ATOM 0 H GLY A 53 24.426 16.019 13.928 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.280 14.805 12.239 1.00 0.00 H new ATOM 0 HA3 GLY A 53 23.279 13.375 13.252 1.00 0.00 H new ATOM 847 N ARG A 54 21.967 15.160 15.230 1.00 0.00 N ATOM 848 CA ARG A 54 20.803 15.585 15.996 1.00 0.00 C ATOM 849 C ARG A 54 20.445 17.029 15.660 1.00 0.00 C ATOM 850 O ARG A 54 21.335 17.715 15.158 1.00 0.00 O ATOM 851 CB ARG A 54 21.201 15.561 17.475 1.00 0.00 C ATOM 852 CG ARG A 54 21.569 14.180 18.001 1.00 0.00 C ATOM 853 CD ARG A 54 20.561 13.025 17.952 1.00 0.00 C ATOM 854 NE ARG A 54 21.095 11.858 18.640 1.00 0.00 N ATOM 855 CZ ARG A 54 20.999 11.439 19.918 1.00 0.00 C ATOM 856 NH1 ARG A 54 20.233 12.132 20.768 1.00 0.00 N ATOM 857 NH2 ARG A 54 21.604 10.313 20.311 1.00 0.00 N ATOM 0 H ARG A 54 22.814 15.059 15.789 1.00 0.00 H new ATOM 0 HA ARG A 54 19.960 14.931 15.772 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.048 16.231 17.622 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.376 15.955 18.068 1.00 0.00 H new ATOM 0 HG2 ARG A 54 22.455 13.855 17.455 1.00 0.00 H new ATOM 0 HG3 ARG A 54 21.864 14.303 19.043 1.00 0.00 H new ATOM 0 HD2 ARG A 54 19.624 13.332 18.416 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.336 12.773 16.916 1.00 0.00 H new ATOM 0 HE ARG A 54 21.645 11.241 18.043 1.00 0.00 H new ATOM 0 HH11 ARG A 54 19.734 12.961 20.445 1.00 0.00 H new ATOM 0 HH12 ARG A 54 20.147 11.831 21.739 1.00 0.00 H new ATOM 0 HH21 ARG A 54 22.143 9.764 19.642 1.00 0.00 H new ATOM 0 HH22 ARG A 54 21.526 10.004 21.280 1.00 0.00 H new ATOM 871 N THR A 55 19.222 17.478 15.908 1.00 0.00 N ATOM 872 CA THR A 55 18.753 18.850 15.824 1.00 0.00 C ATOM 873 C THR A 55 18.394 19.355 17.222 1.00 0.00 C ATOM 874 O THR A 55 18.629 18.652 18.209 1.00 0.00 O ATOM 875 CB THR A 55 17.590 18.876 14.832 1.00 0.00 C ATOM 876 OG1 THR A 55 16.379 18.285 15.260 1.00 0.00 O ATOM 877 CG2 THR A 55 17.914 18.214 13.495 1.00 0.00 C ATOM 0 H THR A 55 18.478 16.842 16.195 1.00 0.00 H new ATOM 0 HA THR A 55 19.520 19.531 15.455 1.00 0.00 H new ATOM 0 HB THR A 55 17.446 19.952 14.738 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.399 17.324 15.070 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.044 18.269 12.841 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.753 18.730 13.027 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.177 17.169 13.661 1.00 0.00 H new ATOM 885 N LEU A 56 17.919 20.599 17.261 1.00 0.00 N ATOM 886 CA LEU A 56 17.502 21.267 18.478 1.00 0.00 C ATOM 887 C LEU A 56 16.226 20.712 19.089 1.00 0.00 C ATOM 888 O LEU A 56 16.047 20.672 20.309 1.00 0.00 O ATOM 889 CB LEU A 56 17.400 22.794 18.397 1.00 0.00 C ATOM 890 CG LEU A 56 18.687 23.384 17.816 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.396 24.027 16.462 1.00 0.00 C ATOM 892 CD2 LEU A 56 19.309 24.402 18.785 1.00 0.00 C ATOM 0 H LEU A 56 17.814 21.176 16.427 1.00 0.00 H new ATOM 0 HA LEU A 56 18.337 21.037 19.140 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.550 23.076 17.775 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.219 23.206 19.390 1.00 0.00 H new ATOM 0 HG LEU A 56 19.409 22.580 17.674 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.316 24.445 16.053 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.004 23.274 15.778 1.00 0.00 H new ATOM 0 HD13 LEU A 56 17.660 24.821 16.587 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.222 24.807 18.350 1.00 0.00 H new ATOM 0 HD22 LEU A 56 18.602 25.212 18.965 1.00 0.00 H new ATOM 0 HD23 LEU A 56 19.544 23.910 19.729 1.00 0.00 H new ATOM 904 N SER A 57 15.342 20.217 18.230 1.00 0.00 N ATOM 905 CA SER A 57 14.070 19.643 18.621 1.00 0.00 C ATOM 906 C SER A 57 14.350 18.234 19.160 1.00 0.00 C ATOM 907 O SER A 57 13.618 17.759 20.025 1.00 0.00 O ATOM 908 CB SER A 57 13.144 19.563 17.415 1.00 0.00 C ATOM 909 OG SER A 57 13.457 18.589 16.447 1.00 0.00 O ATOM 0 H SER A 57 15.498 20.206 17.222 1.00 0.00 H new ATOM 0 HA SER A 57 13.587 20.257 19.381 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.132 19.375 17.774 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.133 20.538 16.927 1.00 0.00 H new ATOM 0 HG SER A 57 14.405 18.657 16.209 1.00 0.00 H new ATOM 915 N ASP A 58 15.359 17.583 18.585 1.00 0.00 N ATOM 916 CA ASP A 58 15.772 16.267 19.034 1.00 0.00 C ATOM 917 C ASP A 58 16.437 16.344 20.405 1.00 0.00 C ATOM 918 O ASP A 58 16.210 15.501 21.270 1.00 0.00 O ATOM 919 CB ASP A 58 16.637 15.446 18.067 1.00 0.00 C ATOM 920 CG ASP A 58 16.095 15.393 16.647 1.00 0.00 C ATOM 921 OD1 ASP A 58 14.957 14.884 16.567 1.00 0.00 O ATOM 922 OD2 ASP A 58 16.806 15.725 15.673 1.00 0.00 O ATOM 0 H ASP A 58 15.903 17.952 17.805 1.00 0.00 H new ATOM 0 HA ASP A 58 14.835 15.712 19.087 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.642 15.868 18.046 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.726 14.429 18.449 1.00 0.00 H new ATOM 927 N TYR A 59 17.222 17.392 20.656 1.00 0.00 N ATOM 928 CA TYR A 59 17.984 17.511 21.885 1.00 0.00 C ATOM 929 C TYR A 59 17.243 18.262 22.997 1.00 0.00 C ATOM 930 O TYR A 59 17.741 18.364 24.120 1.00 0.00 O ATOM 931 CB TYR A 59 19.374 18.119 21.696 1.00 0.00 C ATOM 932 CG TYR A 59 20.487 17.107 21.674 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.601 16.104 22.648 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.477 17.280 20.693 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.736 15.280 22.633 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.605 16.444 20.667 1.00 0.00 C ATOM 937 CZ TYR A 59 22.700 15.437 21.639 1.00 0.00 C ATOM 938 OH TYR A 59 23.776 14.592 21.639 1.00 0.00 O ATOM 0 H TYR A 59 17.343 18.175 20.013 1.00 0.00 H new ATOM 0 HA TYR A 59 18.112 16.475 22.200 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.389 18.681 20.762 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.560 18.831 22.500 1.00 0.00 H new ATOM 0 HD1 TYR A 59 19.831 15.969 23.394 1.00 0.00 H new ATOM 0 HD2 TYR A 59 21.370 18.061 19.954 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.863 14.523 23.393 1.00 0.00 H new ATOM 0 HE2 TYR A 59 23.376 16.572 19.921 1.00 0.00 H new ATOM 0 HH TYR A 59 23.513 13.727 22.018 1.00 0.00 H new ATOM 948 N ASN A 60 16.035 18.698 22.674 1.00 0.00 N ATOM 949 CA ASN A 60 14.920 19.234 23.432 1.00 0.00 C ATOM 950 C ASN A 60 15.211 20.698 23.784 1.00 0.00 C ATOM 951 O ASN A 60 15.170 21.001 24.968 1.00 0.00 O ATOM 952 CB ASN A 60 14.539 18.313 24.586 1.00 0.00 C ATOM 953 CG ASN A 60 13.054 18.204 24.923 1.00 0.00 C ATOM 954 OD1 ASN A 60 12.537 19.130 25.550 1.00 0.00 O ATOM 955 ND2 ASN A 60 12.441 17.058 24.681 1.00 0.00 N ATOM 0 H ASN A 60 15.774 18.676 21.688 1.00 0.00 H new ATOM 0 HA ASN A 60 14.008 19.258 22.835 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.909 17.313 24.358 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.065 18.652 25.478 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.491 16.906 25.019 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.918 16.325 24.156 1.00 0.00 H new ATOM 962 N ILE A 61 15.736 21.506 22.869 1.00 0.00 N ATOM 963 CA ILE A 61 16.152 22.876 23.075 1.00 0.00 C ATOM 964 C ILE A 61 14.982 23.686 22.514 1.00 0.00 C ATOM 965 O ILE A 61 14.934 24.102 21.362 1.00 0.00 O ATOM 966 CB ILE A 61 17.464 23.084 22.306 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.521 22.216 22.988 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.056 24.480 22.106 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.770 21.847 22.188 1.00 0.00 C ATOM 0 H ILE A 61 15.889 21.197 21.909 1.00 0.00 H new ATOM 0 HA ILE A 61 16.354 23.164 24.107 1.00 0.00 H new ATOM 0 HB ILE A 61 17.184 22.822 21.286 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.844 22.731 23.893 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.040 21.290 23.303 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.983 24.404 21.538 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.346 25.102 21.561 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.262 24.931 23.077 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.426 21.230 22.802 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.480 21.292 21.296 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.296 22.756 21.895 1.00 0.00 H new ATOM 981 N GLN A 62 14.078 24.078 23.418 1.00 0.00 N ATOM 982 CA GLN A 62 13.148 25.166 23.185 1.00 0.00 C ATOM 983 C GLN A 62 13.889 26.500 23.183 1.00 0.00 C ATOM 984 O GLN A 62 15.089 26.529 23.443 1.00 0.00 O ATOM 985 CB GLN A 62 12.020 25.090 24.221 1.00 0.00 C ATOM 986 CG GLN A 62 11.135 23.860 24.004 1.00 0.00 C ATOM 987 CD GLN A 62 11.644 22.515 24.484 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.997 21.549 24.093 1.00 0.00 O ATOM 989 NE2 GLN A 62 12.576 22.287 25.418 1.00 0.00 N ATOM 0 H GLN A 62 13.978 23.641 24.334 1.00 0.00 H new ATOM 0 HA GLN A 62 12.687 25.078 22.201 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.448 25.059 25.223 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.411 25.992 24.163 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.179 24.048 24.493 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.936 23.778 22.936 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.140 23.058 25.775 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.722 21.342 25.773 1.00 0.00 H new ATOM 998 N LYS A 63 13.242 27.540 22.658 1.00 0.00 N ATOM 999 CA LYS A 63 13.599 28.935 22.575 1.00 0.00 C ATOM 1000 C LYS A 63 14.155 29.517 23.882 1.00 0.00 C ATOM 1001 O LYS A 63 13.582 29.278 24.937 1.00 0.00 O ATOM 1002 CB LYS A 63 12.432 29.703 21.965 1.00 0.00 C ATOM 1003 CG LYS A 63 11.155 30.083 22.712 1.00 0.00 C ATOM 1004 CD LYS A 63 9.937 30.420 21.847 1.00 0.00 C ATOM 1005 CE LYS A 63 8.560 29.962 22.335 1.00 0.00 C ATOM 1006 NZ LYS A 63 8.660 28.499 22.515 1.00 0.00 N ATOM 0 H LYS A 63 12.331 27.389 22.225 1.00 0.00 H new ATOM 0 HA LYS A 63 14.453 29.046 21.907 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.850 30.637 21.590 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.112 29.125 21.098 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.887 29.259 23.373 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.373 30.943 23.346 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.904 31.502 21.723 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.101 29.991 20.858 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.294 30.453 23.271 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.785 30.214 21.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.735 28.062 22.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.364 28.115 21.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.952 28.288 23.491 1.00 0.00 H new ATOM 1020 N GLU A 64 15.081 30.477 23.818 1.00 0.00 N ATOM 1021 CA GLU A 64 15.694 31.322 24.821 1.00 0.00 C ATOM 1022 C GLU A 64 16.375 30.393 25.830 1.00 0.00 C ATOM 1023 O GLU A 64 16.564 30.792 26.974 1.00 0.00 O ATOM 1024 CB GLU A 64 14.570 32.175 25.420 1.00 0.00 C ATOM 1025 CG GLU A 64 14.099 33.164 24.351 1.00 0.00 C ATOM 1026 CD GLU A 64 13.448 34.473 24.803 1.00 0.00 C ATOM 1027 OE1 GLU A 64 14.070 35.316 25.496 1.00 0.00 O ATOM 1028 OE2 GLU A 64 12.266 34.689 24.468 1.00 0.00 O ATOM 0 H GLU A 64 15.473 30.706 22.905 1.00 0.00 H new ATOM 0 HA GLU A 64 16.456 32.001 24.439 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.743 31.542 25.743 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.926 32.709 26.301 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.960 33.418 23.732 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.388 32.644 23.709 1.00 0.00 H new ATOM 1035 N SER A 65 16.931 29.243 25.484 1.00 0.00 N ATOM 1036 CA SER A 65 17.674 28.330 26.337 1.00 0.00 C ATOM 1037 C SER A 65 19.151 28.692 26.193 1.00 0.00 C ATOM 1038 O SER A 65 19.533 29.252 25.171 1.00 0.00 O ATOM 1039 CB SER A 65 17.453 26.931 25.760 1.00 0.00 C ATOM 1040 OG SER A 65 16.138 26.484 26.002 1.00 0.00 O ATOM 0 H SER A 65 16.870 28.898 24.526 1.00 0.00 H new ATOM 0 HA SER A 65 17.367 28.379 27.382 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.645 26.942 24.687 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.165 26.235 26.204 1.00 0.00 H new ATOM 0 HG SER A 65 15.642 26.454 25.157 1.00 0.00 H new ATOM 1046 N THR A 66 19.919 28.417 27.243 1.00 0.00 N ATOM 1047 CA THR A 66 21.359 28.622 27.180 1.00 0.00 C ATOM 1048 C THR A 66 22.076 27.304 26.916 1.00 0.00 C ATOM 1049 O THR A 66 21.962 26.325 27.645 1.00 0.00 O ATOM 1050 CB THR A 66 21.802 29.253 28.494 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.027 30.421 28.626 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.278 29.621 28.682 1.00 0.00 C ATOM 0 H THR A 66 19.574 28.058 28.133 1.00 0.00 H new ATOM 0 HA THR A 66 21.615 29.288 26.356 1.00 0.00 H new ATOM 0 HB THR A 66 21.659 28.483 29.253 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.264 30.878 29.460 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.421 30.058 29.670 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.891 28.725 28.590 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.573 30.342 27.920 1.00 0.00 H new ATOM 1060 N LEU A 67 22.984 27.277 25.931 1.00 0.00 N ATOM 1061 CA LEU A 67 24.000 26.277 25.718 1.00 0.00 C ATOM 1062 C LEU A 67 25.261 26.984 26.237 1.00 0.00 C ATOM 1063 O LEU A 67 25.269 28.214 26.295 1.00 0.00 O ATOM 1064 CB LEU A 67 24.281 26.039 24.235 1.00 0.00 C ATOM 1065 CG LEU A 67 23.268 25.186 23.473 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.854 25.756 23.628 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.672 25.290 22.002 1.00 0.00 C ATOM 0 H LEU A 67 23.017 28.010 25.222 1.00 0.00 H new ATOM 0 HA LEU A 67 23.716 25.330 26.178 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.349 27.009 23.742 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.259 25.567 24.146 1.00 0.00 H new ATOM 0 HG LEU A 67 23.263 24.161 23.845 1.00 0.00 H new ATOM 0 HD11 LEU A 67 21.148 25.134 23.078 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.580 25.769 24.683 1.00 0.00 H new ATOM 0 HD13 LEU A 67 21.826 26.772 23.234 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.986 24.700 21.394 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.632 26.333 21.687 1.00 0.00 H new ATOM 0 HD23 LEU A 67 24.686 24.911 21.876 1.00 0.00 H new ATOM 1079 N HIS A 68 26.326 26.253 26.545 1.00 0.00 N ATOM 1080 CA HIS A 68 27.626 26.797 26.901 1.00 0.00 C ATOM 1081 C HIS A 68 28.537 26.334 25.758 1.00 0.00 C ATOM 1082 O HIS A 68 28.514 25.159 25.406 1.00 0.00 O ATOM 1083 CB HIS A 68 28.210 26.335 28.239 1.00 0.00 C ATOM 1084 CG HIS A 68 27.250 25.570 29.109 1.00 0.00 C ATOM 1085 ND1 HIS A 68 27.105 24.187 28.991 1.00 0.00 N ATOM 1086 CD2 HIS A 68 26.302 26.033 29.987 1.00 0.00 C ATOM 1087 CE1 HIS A 68 26.078 23.875 29.791 1.00 0.00 C ATOM 1088 NE2 HIS A 68 25.631 24.931 30.492 1.00 0.00 N ATOM 0 H HIS A 68 26.305 25.233 26.553 1.00 0.00 H new ATOM 0 HA HIS A 68 27.536 27.876 27.030 1.00 0.00 H new ATOM 0 HB2 HIS A 68 29.081 25.709 28.044 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.561 27.208 28.788 1.00 0.00 H new ATOM 0 HD2 HIS A 68 26.114 27.066 30.238 1.00 0.00 H new ATOM 0 HE1 HIS A 68 25.655 22.884 29.865 1.00 0.00 H new ATOM 0 HE2 HIS A 68 24.940 24.923 31.242 1.00 0.00 H new ATOM 1096 N LEU A 69 29.236 27.207 25.030 1.00 0.00 N ATOM 1097 CA LEU A 69 30.309 26.899 24.111 1.00 0.00 C ATOM 1098 C LEU A 69 31.666 26.910 24.809 1.00 0.00 C ATOM 1099 O LEU A 69 32.094 27.901 25.388 1.00 0.00 O ATOM 1100 CB LEU A 69 30.160 27.972 23.021 1.00 0.00 C ATOM 1101 CG LEU A 69 31.154 28.242 21.897 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.201 27.247 20.742 1.00 0.00 C ATOM 1103 CD2 LEU A 69 30.951 29.644 21.316 1.00 0.00 C ATOM 0 H LEU A 69 29.048 28.208 25.077 1.00 0.00 H new ATOM 0 HA LEU A 69 30.254 25.895 23.691 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.208 27.766 22.531 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.048 28.918 23.550 1.00 0.00 H new ATOM 0 HG LEU A 69 32.112 28.132 22.405 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.951 27.565 20.018 1.00 0.00 H new ATOM 0 HD12 LEU A 69 31.460 26.259 21.123 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.225 27.205 20.258 1.00 0.00 H new ATOM 0 HD21 LEU A 69 31.671 29.814 20.516 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.940 29.730 20.918 1.00 0.00 H new ATOM 0 HD23 LEU A 69 31.097 30.387 22.100 1.00 0.00 H new ATOM 1115 N VAL A 70 32.350 25.767 24.727 1.00 0.00 N ATOM 1116 CA VAL A 70 33.660 25.558 25.316 1.00 0.00 C ATOM 1117 C VAL A 70 34.613 25.297 24.152 1.00 0.00 C ATOM 1118 O VAL A 70 34.176 25.044 23.030 1.00 0.00 O ATOM 1119 CB VAL A 70 33.584 24.449 26.364 1.00 0.00 C ATOM 1120 CG1 VAL A 70 34.919 23.840 26.806 1.00 0.00 C ATOM 1121 CG2 VAL A 70 32.687 24.834 27.531 1.00 0.00 C ATOM 0 H VAL A 70 31.994 24.947 24.236 1.00 0.00 H new ATOM 0 HA VAL A 70 34.036 26.420 25.868 1.00 0.00 H new ATOM 0 HB VAL A 70 33.112 23.620 25.837 1.00 0.00 H new ATOM 0 HG11 VAL A 70 34.737 23.065 27.551 1.00 0.00 H new ATOM 0 HG12 VAL A 70 35.423 23.403 25.944 1.00 0.00 H new ATOM 0 HG13 VAL A 70 35.548 24.618 27.238 1.00 0.00 H new ATOM 0 HG21 VAL A 70 32.660 24.018 28.254 1.00 0.00 H new ATOM 0 HG22 VAL A 70 33.079 25.731 28.011 1.00 0.00 H new ATOM 0 HG23 VAL A 70 31.679 25.029 27.166 1.00 0.00 H new ATOM 1131 N LEU A 71 35.886 25.566 24.413 1.00 0.00 N ATOM 1132 CA LEU A 71 36.892 25.587 23.377 1.00 0.00 C ATOM 1133 C LEU A 71 37.912 24.465 23.600 1.00 0.00 C ATOM 1134 O LEU A 71 38.144 24.106 24.749 1.00 0.00 O ATOM 1135 CB LEU A 71 37.759 26.840 23.520 1.00 0.00 C ATOM 1136 CG LEU A 71 37.082 28.171 23.225 1.00 0.00 C ATOM 1137 CD1 LEU A 71 38.111 29.288 23.037 1.00 0.00 C ATOM 1138 CD2 LEU A 71 36.027 28.028 22.118 1.00 0.00 C ATOM 0 H LEU A 71 36.242 25.774 25.346 1.00 0.00 H new ATOM 0 HA LEU A 71 36.361 25.515 22.428 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.146 26.873 24.538 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.617 26.739 22.856 1.00 0.00 H new ATOM 0 HG LEU A 71 36.506 28.489 24.094 1.00 0.00 H new ATOM 0 HD11 LEU A 71 37.596 30.226 22.828 1.00 0.00 H new ATOM 0 HD12 LEU A 71 38.703 29.394 23.946 1.00 0.00 H new ATOM 0 HD13 LEU A 71 38.768 29.041 22.203 1.00 0.00 H new ATOM 0 HD21 LEU A 71 35.562 28.996 21.931 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.504 27.672 21.205 1.00 0.00 H new ATOM 0 HD23 LEU A 71 35.265 27.314 22.431 1.00 0.00 H new ATOM 1150 N ARG A 72 38.418 23.972 22.467 1.00 0.00 N ATOM 1151 CA ARG A 72 39.694 23.295 22.372 1.00 0.00 C ATOM 1152 C ARG A 72 40.756 24.306 21.958 1.00 0.00 C ATOM 1153 O ARG A 72 40.471 25.355 21.379 1.00 0.00 O ATOM 1154 CB ARG A 72 39.634 22.260 21.248 1.00 0.00 C ATOM 1155 CG ARG A 72 38.407 21.372 21.089 1.00 0.00 C ATOM 1156 CD ARG A 72 38.494 20.306 19.990 1.00 0.00 C ATOM 1157 NE ARG A 72 37.367 19.392 20.134 1.00 0.00 N ATOM 1158 CZ ARG A 72 36.410 19.066 19.253 1.00 0.00 C ATOM 1159 NH1 ARG A 72 36.299 19.484 17.994 1.00 0.00 N ATOM 1160 NH2 ARG A 72 35.450 18.171 19.533 1.00 0.00 N ATOM 0 H ARG A 72 37.932 24.039 21.573 1.00 0.00 H new ATOM 0 HA ARG A 72 39.922 22.832 23.332 1.00 0.00 H new ATOM 0 HB2 ARG A 72 39.769 22.795 20.308 1.00 0.00 H new ATOM 0 HB3 ARG A 72 40.495 21.603 21.368 1.00 0.00 H new ATOM 0 HG2 ARG A 72 38.217 20.873 22.039 1.00 0.00 H new ATOM 0 HG3 ARG A 72 37.545 22.008 20.885 1.00 0.00 H new ATOM 0 HD2 ARG A 72 38.476 20.775 19.006 1.00 0.00 H new ATOM 0 HD3 ARG A 72 39.435 19.761 20.066 1.00 0.00 H new ATOM 0 HE ARG A 72 37.296 18.931 21.041 1.00 0.00 H new ATOM 0 HH11 ARG A 72 36.992 20.124 17.606 1.00 0.00 H new ATOM 0 HH12 ARG A 72 35.521 19.164 17.417 1.00 0.00 H new ATOM 0 HH21 ARG A 72 35.431 17.712 20.443 1.00 0.00 H new ATOM 0 HH22 ARG A 72 34.739 17.950 18.835 1.00 0.00 H new ATOM 1174 N LEU A 73 42.027 24.001 22.184 1.00 0.00 N ATOM 1175 CA LEU A 73 43.112 24.742 21.569 1.00 0.00 C ATOM 1176 C LEU A 73 43.496 23.953 20.311 1.00 0.00 C ATOM 1177 O LEU A 73 44.019 22.835 20.354 1.00 0.00 O ATOM 1178 CB LEU A 73 44.322 24.917 22.489 1.00 0.00 C ATOM 1179 CG LEU A 73 44.090 25.855 23.667 1.00 0.00 C ATOM 1180 CD1 LEU A 73 44.962 25.454 24.861 1.00 0.00 C ATOM 1181 CD2 LEU A 73 44.153 27.343 23.332 1.00 0.00 C ATOM 0 H LEU A 73 42.329 23.241 22.793 1.00 0.00 H new ATOM 0 HA LEU A 73 42.785 25.757 21.341 1.00 0.00 H new ATOM 0 HB2 LEU A 73 44.616 23.940 22.872 1.00 0.00 H new ATOM 0 HB3 LEU A 73 45.159 25.294 21.900 1.00 0.00 H new ATOM 0 HG LEU A 73 43.048 25.722 23.958 1.00 0.00 H new ATOM 0 HD11 LEU A 73 44.780 26.137 25.690 1.00 0.00 H new ATOM 0 HD12 LEU A 73 44.714 24.438 25.167 1.00 0.00 H new ATOM 0 HD13 LEU A 73 46.013 25.501 24.576 1.00 0.00 H new ATOM 0 HD21 LEU A 73 43.975 27.927 24.235 1.00 0.00 H new ATOM 0 HD22 LEU A 73 45.138 27.584 22.931 1.00 0.00 H new ATOM 0 HD23 LEU A 73 43.391 27.581 22.590 1.00 0.00 H new ATOM 1193 N ARG A 74 43.269 24.621 19.195 1.00 0.00 N ATOM 1194 CA ARG A 74 43.600 24.115 17.875 1.00 0.00 C ATOM 1195 C ARG A 74 44.149 25.301 17.083 1.00 0.00 C ATOM 1196 O ARG A 74 45.342 25.438 16.847 1.00 0.00 O ATOM 1197 CB ARG A 74 42.439 23.283 17.329 1.00 0.00 C ATOM 1198 CG ARG A 74 42.760 22.641 15.981 1.00 0.00 C ATOM 1199 CD ARG A 74 41.696 21.820 15.253 1.00 0.00 C ATOM 1200 NE ARG A 74 42.254 21.132 14.091 1.00 0.00 N ATOM 1201 CZ ARG A 74 42.155 19.867 13.663 1.00 0.00 C ATOM 1202 NH1 ARG A 74 41.612 18.883 14.399 1.00 0.00 N ATOM 1203 NH2 ARG A 74 42.616 19.646 12.418 1.00 0.00 N ATOM 0 H ARG A 74 42.842 25.547 19.180 1.00 0.00 H new ATOM 0 HA ARG A 74 44.400 23.376 17.832 1.00 0.00 H new ATOM 0 HB2 ARG A 74 42.186 22.503 18.048 1.00 0.00 H new ATOM 0 HB3 ARG A 74 41.559 23.918 17.225 1.00 0.00 H new ATOM 0 HG2 ARG A 74 43.070 23.440 15.307 1.00 0.00 H new ATOM 0 HG3 ARG A 74 43.625 21.994 16.128 1.00 0.00 H new ATOM 0 HD2 ARG A 74 41.266 21.089 15.938 1.00 0.00 H new ATOM 0 HD3 ARG A 74 40.884 22.474 14.935 1.00 0.00 H new ATOM 0 HE ARG A 74 42.827 21.728 13.493 1.00 0.00 H new ATOM 0 HH11 ARG A 74 41.251 19.084 15.332 1.00 0.00 H new ATOM 0 HH12 ARG A 74 41.561 17.935 14.025 1.00 0.00 H new ATOM 0 HH21 ARG A 74 43.005 20.416 11.874 1.00 0.00 H new ATOM 0 HH22 ARG A 74 42.576 18.708 12.018 1.00 0.00 H new ATOM 1217 N GLY A 75 43.212 26.099 16.576 1.00 0.00 N ATOM 1218 CA GLY A 75 43.447 27.305 15.802 1.00 0.00 C ATOM 1219 C GLY A 75 42.774 27.064 14.445 1.00 0.00 C ATOM 1220 O GLY A 75 42.220 26.018 14.116 1.00 0.00 O ATOM 0 H GLY A 75 42.218 25.907 16.703 1.00 0.00 H new ATOM 0 HA2 GLY A 75 43.024 28.178 16.299 1.00 0.00 H new ATOM 0 HA3 GLY A 75 44.514 27.492 15.682 1.00 0.00 H new ATOM 1224 N GLY A 76 42.862 28.041 13.552 1.00 0.00 N ATOM 1225 CA GLY A 76 42.524 27.988 12.143 1.00 0.00 C ATOM 1226 C GLY A 76 43.682 28.732 11.504 1.00 0.00 C ATOM 1227 O GLY A 76 44.198 29.682 12.113 1.00 0.00 O ATOM 1228 OXT GLY A 76 44.271 28.212 10.532 1.00 0.00 O ATOM 0 H GLY A 76 43.200 28.965 13.821 1.00 0.00 H new ATOM 0 HA2 GLY A 76 42.450 26.963 11.781 1.00 0.00 H new ATOM 0 HA3 GLY A 76 41.568 28.469 11.936 1.00 0.00 H new TER 1232 GLY A 76