USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 470 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 41 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 33 ASN : amide:sc= -0.0365 X(o=-0.037,f=0) USER MOD Set 3.1: A 12 LYS NZ :NH3+ 174:sc= -1.5 (180deg=-1.16) USER MOD Set 3.2: A 14 ASN : amide:sc= -1.14 K(o=-2.6,f=-8.6!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HE2:sc= -0.539 K(o=-0.54,f=-1.8) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 10 LYS NZ :NH3+ -163:sc= -0.0246 (180deg=-0.446) USER MOD Single : A 13 CYS SG : rot 180:sc= -0.0606 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 25 ASN : amide:sc= -0.0351 K(o=-0.035,f=-1.9!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -1.14 K(o=-1.1,f=-12!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.677 K(o=-0.68,f=-5.1!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.416 K(o=-0.42,f=-5.2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -155:sc= -0.175 (180deg=-1.1) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0914) USER MOD Single : A 63 ASN :FLIP amide:sc= -2.42! F(o=-3,f=-2.4!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 0.692 -0.440 2.420 1.00 0.00 N ATOM 32 CA ILE A 3 1.146 0.781 1.766 1.00 0.00 C ATOM 33 C ILE A 3 2.521 0.573 1.140 1.00 0.00 C ATOM 34 O ILE A 3 3.365 -0.132 1.694 1.00 0.00 O ATOM 35 CB ILE A 3 1.213 1.924 2.781 1.00 0.00 C ATOM 36 CG1 ILE A 3 1.329 3.258 2.039 1.00 0.00 C ATOM 37 CG2 ILE A 3 2.434 1.735 3.682 1.00 0.00 C ATOM 38 CD1 ILE A 3 -0.025 3.627 1.430 1.00 0.00 C ATOM 0 HA ILE A 3 0.435 1.035 0.980 1.00 0.00 H new ATOM 0 HB ILE A 3 0.309 1.923 3.390 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.656 4.040 2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.084 3.185 1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.482 2.549 4.405 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.353 0.785 4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.339 1.736 3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.060 4.577 0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.333 2.850 0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.768 3.717 2.222 1.00 0.00 H new ATOM 50 N GLU A 4 2.740 1.190 -0.016 1.00 0.00 N ATOM 51 CA GLU A 4 4.018 1.065 -0.708 1.00 0.00 C ATOM 52 C GLU A 4 5.162 1.513 0.196 1.00 0.00 C ATOM 53 O GLU A 4 4.966 2.312 1.112 1.00 0.00 O ATOM 54 CB GLU A 4 4.008 1.911 -1.982 1.00 0.00 C ATOM 55 CG GLU A 4 3.869 3.390 -1.613 1.00 0.00 C ATOM 56 CD GLU A 4 3.800 4.239 -2.878 1.00 0.00 C ATOM 57 OE1 GLU A 4 3.760 5.451 -2.752 1.00 0.00 O ATOM 58 OE2 GLU A 4 3.789 3.664 -3.954 1.00 0.00 O ATOM 0 H GLU A 4 2.055 1.778 -0.491 1.00 0.00 H new ATOM 0 HA GLU A 4 4.167 0.018 -0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.928 1.751 -2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.183 1.607 -2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.971 3.541 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.716 3.702 -1.002 1.00 0.00 H new ATOM 65 N SER A 5 6.356 0.993 -0.068 1.00 0.00 N ATOM 66 CA SER A 5 7.525 1.347 0.729 1.00 0.00 C ATOM 67 C SER A 5 7.940 2.790 0.462 1.00 0.00 C ATOM 68 O SER A 5 7.574 3.373 -0.559 1.00 0.00 O ATOM 69 CB SER A 5 8.686 0.410 0.396 1.00 0.00 C ATOM 70 OG SER A 5 9.142 0.678 -0.924 1.00 0.00 O ATOM 0 H SER A 5 6.539 0.330 -0.821 1.00 0.00 H new ATOM 0 HA SER A 5 7.267 1.245 1.783 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.498 0.551 1.109 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.366 -0.629 0.479 1.00 0.00 H new ATOM 0 HG SER A 5 9.888 0.080 -1.140 1.00 0.00 H new ATOM 76 N HIS A 6 8.706 3.360 1.386 1.00 0.00 N ATOM 77 CA HIS A 6 9.167 4.736 1.240 1.00 0.00 C ATOM 78 C HIS A 6 10.609 4.772 0.743 1.00 0.00 C ATOM 79 O HIS A 6 11.324 5.752 0.956 1.00 0.00 O ATOM 80 CB HIS A 6 9.071 5.463 2.583 1.00 0.00 C ATOM 81 CG HIS A 6 9.911 4.745 3.603 1.00 0.00 C ATOM 82 ND1 HIS A 6 11.278 4.947 3.709 1.00 0.00 N ATOM 83 CD2 HIS A 6 9.592 3.822 4.568 1.00 0.00 C ATOM 84 CE1 HIS A 6 11.728 4.163 4.707 1.00 0.00 C ATOM 85 NE2 HIS A 6 10.741 3.456 5.264 1.00 0.00 N ATOM 0 H HIS A 6 9.019 2.895 2.238 1.00 0.00 H new ATOM 0 HA HIS A 6 8.532 5.235 0.508 1.00 0.00 H new ATOM 0 HB2 HIS A 6 9.411 6.493 2.476 1.00 0.00 H new ATOM 0 HB3 HIS A 6 8.033 5.503 2.914 1.00 0.00 H new ATOM 0 HD1 HIS A 6 11.841 5.575 3.135 1.00 0.00 H new ATOM 0 HD2 HIS A 6 8.601 3.438 4.758 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.761 4.112 5.019 1.00 0.00 H new ATOM 94 N GLN A 7 11.032 3.700 0.080 1.00 0.00 N ATOM 95 CA GLN A 7 12.392 3.624 -0.440 1.00 0.00 C ATOM 96 C GLN A 7 12.586 4.623 -1.576 1.00 0.00 C ATOM 97 O GLN A 7 11.760 4.714 -2.484 1.00 0.00 O ATOM 98 CB GLN A 7 12.680 2.209 -0.948 1.00 0.00 C ATOM 99 CG GLN A 7 14.158 2.092 -1.324 1.00 0.00 C ATOM 100 CD GLN A 7 14.448 0.697 -1.867 1.00 0.00 C ATOM 101 OE1 GLN A 7 13.808 0.255 -2.821 1.00 0.00 O ATOM 102 NE2 GLN A 7 15.382 -0.028 -1.312 1.00 0.00 N ATOM 0 H GLN A 7 10.458 2.878 -0.109 1.00 0.00 H new ATOM 0 HA GLN A 7 13.084 3.867 0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 7 12.431 1.478 -0.179 1.00 0.00 H new ATOM 0 HB3 GLN A 7 12.055 1.988 -1.813 1.00 0.00 H new ATOM 0 HG2 GLN A 7 14.412 2.843 -2.072 1.00 0.00 H new ATOM 0 HG3 GLN A 7 14.781 2.288 -0.451 1.00 0.00 H new ATOM 0 HE21 GLN A 7 15.911 0.340 -0.522 1.00 0.00 H new ATOM 0 HE22 GLN A 7 15.582 -0.962 -1.669 1.00 0.00 H new ATOM 111 N VAL A 8 13.684 5.371 -1.519 1.00 0.00 N ATOM 112 CA VAL A 8 13.976 6.361 -2.549 1.00 0.00 C ATOM 113 C VAL A 8 15.425 6.242 -3.011 1.00 0.00 C ATOM 114 O VAL A 8 16.323 5.989 -2.208 1.00 0.00 O ATOM 115 CB VAL A 8 13.724 7.769 -2.007 1.00 0.00 C ATOM 116 CG1 VAL A 8 14.648 8.030 -0.816 1.00 0.00 C ATOM 117 CG2 VAL A 8 14.007 8.795 -3.106 1.00 0.00 C ATOM 0 H VAL A 8 14.381 5.311 -0.777 1.00 0.00 H new ATOM 0 HA VAL A 8 13.320 6.177 -3.400 1.00 0.00 H new ATOM 0 HB VAL A 8 12.686 7.855 -1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 8 14.469 9.033 -0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.448 7.298 -0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.687 7.945 -1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.828 9.799 -2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.046 8.709 -3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.349 8.609 -3.955 1.00 0.00 H new ATOM 127 N GLU A 9 15.644 6.425 -4.309 1.00 0.00 N ATOM 128 CA GLU A 9 16.989 6.334 -4.865 1.00 0.00 C ATOM 129 C GLU A 9 17.257 7.500 -5.814 1.00 0.00 C ATOM 130 O GLU A 9 17.513 7.304 -7.001 1.00 0.00 O ATOM 131 CB GLU A 9 17.164 5.007 -5.613 1.00 0.00 C ATOM 132 CG GLU A 9 15.834 4.583 -6.244 1.00 0.00 C ATOM 133 CD GLU A 9 15.285 5.706 -7.119 1.00 0.00 C ATOM 134 OE1 GLU A 9 15.810 5.896 -8.203 1.00 0.00 O ATOM 135 OE2 GLU A 9 14.346 6.358 -6.692 1.00 0.00 O ATOM 0 H GLU A 9 14.915 6.635 -4.990 1.00 0.00 H new ATOM 0 HA GLU A 9 17.703 6.379 -4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.925 5.113 -6.386 1.00 0.00 H new ATOM 0 HB3 GLU A 9 17.512 4.236 -4.926 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.977 3.683 -6.842 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.115 4.336 -5.463 1.00 0.00 H new ATOM 142 N LYS A 10 17.196 8.716 -5.279 1.00 0.00 N ATOM 143 CA LYS A 10 17.435 9.907 -6.086 1.00 0.00 C ATOM 144 C LYS A 10 18.866 9.918 -6.612 1.00 0.00 C ATOM 145 O LYS A 10 19.769 9.352 -5.996 1.00 0.00 O ATOM 146 CB LYS A 10 17.186 11.163 -5.248 1.00 0.00 C ATOM 147 CG LYS A 10 18.194 11.219 -4.098 1.00 0.00 C ATOM 148 CD LYS A 10 17.917 12.450 -3.233 1.00 0.00 C ATOM 149 CE LYS A 10 18.982 12.557 -2.140 1.00 0.00 C ATOM 150 NZ LYS A 10 18.919 11.352 -1.265 1.00 0.00 N ATOM 0 H LYS A 10 16.985 8.901 -4.298 1.00 0.00 H new ATOM 0 HA LYS A 10 16.749 9.894 -6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 10 17.279 12.053 -5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 10 16.170 11.155 -4.854 1.00 0.00 H new ATOM 0 HG2 LYS A 10 18.123 10.314 -3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 10 19.209 11.260 -4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.922 13.349 -3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.926 12.377 -2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 10 19.972 12.642 -2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 10 18.822 13.458 -1.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 19.422 11.542 -0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 17.925 11.124 -1.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 19.365 10.547 -1.750 1.00 0.00 H new ATOM 164 N ARG A 11 19.067 10.567 -7.755 1.00 0.00 N ATOM 165 CA ARG A 11 20.394 10.645 -8.354 1.00 0.00 C ATOM 166 C ARG A 11 20.690 12.069 -8.816 1.00 0.00 C ATOM 167 O ARG A 11 20.874 12.325 -10.004 1.00 0.00 O ATOM 168 CB ARG A 11 20.538 9.666 -9.540 1.00 0.00 C ATOM 169 CG ARG A 11 19.200 9.445 -10.276 1.00 0.00 C ATOM 170 CD ARG A 11 18.878 10.654 -11.159 1.00 0.00 C ATOM 171 NE ARG A 11 18.190 11.684 -10.386 1.00 0.00 N ATOM 172 CZ ARG A 11 16.883 11.607 -10.121 1.00 0.00 C ATOM 173 NH1 ARG A 11 16.170 10.594 -10.543 1.00 0.00 N ATOM 174 NH2 ARG A 11 16.310 12.556 -9.432 1.00 0.00 N ATOM 0 H ARG A 11 18.334 11.043 -8.281 1.00 0.00 H new ATOM 0 HA ARG A 11 21.116 10.360 -7.589 1.00 0.00 H new ATOM 0 HB2 ARG A 11 21.277 10.053 -10.241 1.00 0.00 H new ATOM 0 HB3 ARG A 11 20.914 8.710 -9.176 1.00 0.00 H new ATOM 0 HG2 ARG A 11 19.257 8.544 -10.887 1.00 0.00 H new ATOM 0 HG3 ARG A 11 18.400 9.290 -9.553 1.00 0.00 H new ATOM 0 HD2 ARG A 11 19.798 11.060 -11.579 1.00 0.00 H new ATOM 0 HD3 ARG A 11 18.255 10.343 -11.998 1.00 0.00 H new ATOM 0 HE ARG A 11 18.721 12.483 -10.039 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.611 9.849 -11.082 1.00 0.00 H new ATOM 0 HH12 ARG A 11 15.173 10.549 -10.333 1.00 0.00 H new ATOM 0 HH21 ARG A 11 16.860 13.349 -9.100 1.00 0.00 H new ATOM 0 HH22 ARG A 11 15.312 12.505 -9.225 1.00 0.00 H new ATOM 188 N LYS A 12 20.739 12.994 -7.863 1.00 0.00 N ATOM 189 CA LYS A 12 21.017 14.390 -8.181 1.00 0.00 C ATOM 190 C LYS A 12 22.275 14.504 -9.036 1.00 0.00 C ATOM 191 O LYS A 12 23.116 13.606 -9.043 1.00 0.00 O ATOM 192 CB LYS A 12 21.193 15.195 -6.891 1.00 0.00 C ATOM 193 CG LYS A 12 22.367 14.629 -6.090 1.00 0.00 C ATOM 194 CD LYS A 12 22.490 15.384 -4.765 1.00 0.00 C ATOM 195 CE LYS A 12 23.590 14.748 -3.913 1.00 0.00 C ATOM 196 NZ LYS A 12 24.901 14.890 -4.607 1.00 0.00 N ATOM 0 H LYS A 12 20.591 12.805 -6.872 1.00 0.00 H new ATOM 0 HA LYS A 12 20.174 14.791 -8.744 1.00 0.00 H new ATOM 0 HB2 LYS A 12 21.372 16.244 -7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 12 20.280 15.153 -6.297 1.00 0.00 H new ATOM 0 HG2 LYS A 12 22.215 13.566 -5.903 1.00 0.00 H new ATOM 0 HG3 LYS A 12 23.290 14.723 -6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 12 22.721 16.433 -4.952 1.00 0.00 H new ATOM 0 HD3 LYS A 12 21.541 15.358 -4.230 1.00 0.00 H new ATOM 0 HE2 LYS A 12 23.630 15.228 -2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 12 23.369 13.694 -3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 25.662 14.550 -3.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 24.893 14.329 -5.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 25.065 15.891 -4.839 1.00 0.00 H new ATOM 210 N CYS A 13 22.394 15.614 -9.758 1.00 0.00 N ATOM 211 CA CYS A 13 23.553 15.832 -10.615 1.00 0.00 C ATOM 212 C CYS A 13 24.668 16.533 -9.846 1.00 0.00 C ATOM 213 O CYS A 13 24.688 17.760 -9.740 1.00 0.00 O ATOM 214 CB CYS A 13 23.159 16.676 -11.829 1.00 0.00 C ATOM 215 SG CYS A 13 24.268 16.295 -13.209 1.00 0.00 S ATOM 0 H CYS A 13 21.709 16.370 -9.767 1.00 0.00 H new ATOM 0 HA CYS A 13 23.915 14.861 -10.952 1.00 0.00 H new ATOM 0 HB2 CYS A 13 22.126 16.470 -12.110 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.217 17.736 -11.583 1.00 0.00 H new ATOM 0 HG CYS A 13 23.935 17.009 -14.243 1.00 0.00 H new ATOM 220 N ASN A 14 25.597 15.745 -9.317 1.00 0.00 N ATOM 221 CA ASN A 14 26.718 16.298 -8.564 1.00 0.00 C ATOM 222 C ASN A 14 28.038 16.112 -9.318 1.00 0.00 C ATOM 223 O ASN A 14 29.105 16.438 -8.798 1.00 0.00 O ATOM 224 CB ASN A 14 26.812 15.619 -7.196 1.00 0.00 C ATOM 225 CG ASN A 14 27.002 14.115 -7.369 1.00 0.00 C ATOM 226 OD1 ASN A 14 27.208 13.638 -8.485 1.00 0.00 O ATOM 227 ND2 ASN A 14 26.943 13.335 -6.325 1.00 0.00 N ATOM 0 H ASN A 14 25.597 14.728 -9.394 1.00 0.00 H new ATOM 0 HA ASN A 14 26.543 17.366 -8.435 1.00 0.00 H new ATOM 0 HB2 ASN A 14 27.646 16.036 -6.631 1.00 0.00 H new ATOM 0 HB3 ASN A 14 25.907 15.815 -6.621 1.00 0.00 H new ATOM 0 HD21 ASN A 14 27.068 12.328 -6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 14 26.772 13.732 -5.401 1.00 0.00 H new ATOM 234 N THR A 15 27.964 15.589 -10.542 1.00 0.00 N ATOM 235 CA THR A 15 29.165 15.373 -11.340 1.00 0.00 C ATOM 236 C THR A 15 29.661 16.691 -11.928 1.00 0.00 C ATOM 237 O THR A 15 28.897 17.645 -12.073 1.00 0.00 O ATOM 238 CB THR A 15 28.873 14.378 -12.467 1.00 0.00 C ATOM 239 OG1 THR A 15 30.074 14.099 -13.174 1.00 0.00 O ATOM 240 CG2 THR A 15 27.839 14.971 -13.426 1.00 0.00 C ATOM 0 H THR A 15 27.094 15.311 -10.996 1.00 0.00 H new ATOM 0 HA THR A 15 29.942 14.965 -10.693 1.00 0.00 H new ATOM 0 HB THR A 15 28.478 13.456 -12.041 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.889 13.461 -13.894 1.00 0.00 H new ATOM 0 HG21 THR A 15 27.635 14.259 -14.226 1.00 0.00 H new ATOM 0 HG22 THR A 15 26.918 15.181 -12.883 1.00 0.00 H new ATOM 0 HG23 THR A 15 28.227 15.896 -13.853 1.00 0.00 H new ATOM 306 N GLN A 21 28.204 22.937 -16.899 1.00 0.00 N ATOM 307 CA GLN A 21 27.020 23.453 -17.577 1.00 0.00 C ATOM 308 C GLN A 21 26.653 24.843 -17.058 1.00 0.00 C ATOM 309 O GLN A 21 26.124 25.669 -17.803 1.00 0.00 O ATOM 310 CB GLN A 21 25.844 22.481 -17.395 1.00 0.00 C ATOM 311 CG GLN A 21 24.843 23.029 -16.371 1.00 0.00 C ATOM 312 CD GLN A 21 23.801 21.964 -16.047 1.00 0.00 C ATOM 313 OE1 GLN A 21 23.805 20.887 -16.643 1.00 0.00 O ATOM 314 NE2 GLN A 21 22.902 22.201 -15.131 1.00 0.00 N ATOM 0 HA GLN A 21 27.243 23.542 -18.640 1.00 0.00 H new ATOM 0 HB2 GLN A 21 25.345 22.323 -18.351 1.00 0.00 H new ATOM 0 HB3 GLN A 21 26.215 21.511 -17.065 1.00 0.00 H new ATOM 0 HG2 GLN A 21 25.365 23.328 -15.462 1.00 0.00 H new ATOM 0 HG3 GLN A 21 24.355 23.920 -16.766 1.00 0.00 H new ATOM 0 HE21 GLN A 21 22.900 23.094 -14.638 1.00 0.00 H new ATOM 0 HE22 GLN A 21 22.202 21.493 -14.908 1.00 0.00 H new ATOM 323 N ARG A 22 26.932 25.103 -15.782 1.00 0.00 N ATOM 324 CA ARG A 22 26.613 26.405 -15.206 1.00 0.00 C ATOM 325 C ARG A 22 27.692 27.428 -15.556 1.00 0.00 C ATOM 326 O ARG A 22 27.435 28.632 -15.574 1.00 0.00 O ATOM 327 CB ARG A 22 26.431 26.289 -13.681 1.00 0.00 C ATOM 328 CG ARG A 22 27.755 26.528 -12.939 1.00 0.00 C ATOM 329 CD ARG A 22 27.891 28.011 -12.583 1.00 0.00 C ATOM 330 NE ARG A 22 27.842 28.190 -11.136 1.00 0.00 N ATOM 331 CZ ARG A 22 28.901 27.940 -10.362 1.00 0.00 C ATOM 332 NH1 ARG A 22 30.027 27.521 -10.882 1.00 0.00 N ATOM 333 NH2 ARG A 22 28.813 28.118 -9.073 1.00 0.00 N ATOM 0 H ARG A 22 27.370 24.443 -15.139 1.00 0.00 H new ATOM 0 HA ARG A 22 25.672 26.752 -15.633 1.00 0.00 H new ATOM 0 HB2 ARG A 22 25.688 27.013 -13.346 1.00 0.00 H new ATOM 0 HB3 ARG A 22 26.047 25.300 -13.433 1.00 0.00 H new ATOM 0 HG2 ARG A 22 27.789 25.923 -12.033 1.00 0.00 H new ATOM 0 HG3 ARG A 22 28.593 26.216 -13.562 1.00 0.00 H new ATOM 0 HD2 ARG A 22 28.831 28.401 -12.973 1.00 0.00 H new ATOM 0 HD3 ARG A 22 27.090 28.580 -13.054 1.00 0.00 H new ATOM 0 HE ARG A 22 26.977 28.514 -10.704 1.00 0.00 H new ATOM 0 HH11 ARG A 22 30.103 27.382 -11.890 1.00 0.00 H new ATOM 0 HH12 ARG A 22 30.828 27.334 -10.280 1.00 0.00 H new ATOM 0 HH21 ARG A 22 27.939 28.446 -8.662 1.00 0.00 H new ATOM 0 HH22 ARG A 22 29.618 27.929 -8.476 1.00 0.00 H new ATOM 347 N LEU A 23 28.898 26.942 -15.841 1.00 0.00 N ATOM 348 CA LEU A 23 29.999 27.829 -16.196 1.00 0.00 C ATOM 349 C LEU A 23 29.651 28.605 -17.460 1.00 0.00 C ATOM 350 O LEU A 23 29.887 29.810 -17.548 1.00 0.00 O ATOM 351 CB LEU A 23 31.281 27.018 -16.419 1.00 0.00 C ATOM 352 CG LEU A 23 32.439 27.957 -16.772 1.00 0.00 C ATOM 353 CD1 LEU A 23 32.742 28.873 -15.584 1.00 0.00 C ATOM 354 CD2 LEU A 23 33.680 27.126 -17.103 1.00 0.00 C ATOM 0 H LEU A 23 29.135 25.950 -15.833 1.00 0.00 H new ATOM 0 HA LEU A 23 30.164 28.531 -15.378 1.00 0.00 H new ATOM 0 HB2 LEU A 23 31.523 26.450 -15.521 1.00 0.00 H new ATOM 0 HB3 LEU A 23 31.130 26.296 -17.221 1.00 0.00 H new ATOM 0 HG LEU A 23 32.163 28.565 -17.634 1.00 0.00 H new ATOM 0 HD11 LEU A 23 33.566 29.539 -15.839 1.00 0.00 H new ATOM 0 HD12 LEU A 23 31.858 29.464 -15.346 1.00 0.00 H new ATOM 0 HD13 LEU A 23 33.018 28.269 -14.720 1.00 0.00 H new ATOM 0 HD21 LEU A 23 34.506 27.791 -17.355 1.00 0.00 H new ATOM 0 HD22 LEU A 23 33.953 26.519 -16.239 1.00 0.00 H new ATOM 0 HD23 LEU A 23 33.467 26.475 -17.951 1.00 0.00 H new ATOM 366 N ALA A 24 29.078 27.904 -18.434 1.00 0.00 N ATOM 367 CA ALA A 24 28.689 28.538 -19.687 1.00 0.00 C ATOM 368 C ALA A 24 27.603 29.577 -19.431 1.00 0.00 C ATOM 369 O ALA A 24 27.628 30.669 -19.998 1.00 0.00 O ATOM 370 CB ALA A 24 28.171 27.484 -20.668 1.00 0.00 C ATOM 0 H ALA A 24 28.875 26.906 -18.380 1.00 0.00 H new ATOM 0 HA ALA A 24 29.561 29.030 -20.117 1.00 0.00 H new ATOM 0 HB1 ALA A 24 27.882 27.967 -21.602 1.00 0.00 H new ATOM 0 HB2 ALA A 24 28.955 26.753 -20.865 1.00 0.00 H new ATOM 0 HB3 ALA A 24 27.306 26.980 -20.237 1.00 0.00 H new ATOM 376 N ASN A 25 26.654 29.229 -18.568 1.00 0.00 N ATOM 377 CA ASN A 25 25.567 30.141 -18.238 1.00 0.00 C ATOM 378 C ASN A 25 26.111 31.381 -17.533 1.00 0.00 C ATOM 379 O ASN A 25 25.642 32.495 -17.765 1.00 0.00 O ATOM 380 CB ASN A 25 24.550 29.440 -17.335 1.00 0.00 C ATOM 381 CG ASN A 25 23.771 28.401 -18.135 1.00 0.00 C ATOM 382 OD1 ASN A 25 23.725 28.470 -19.364 1.00 0.00 O ATOM 383 ND2 ASN A 25 23.153 27.438 -17.509 1.00 0.00 N ATOM 0 H ASN A 25 26.616 28.330 -18.088 1.00 0.00 H new ATOM 0 HA ASN A 25 25.077 30.446 -19.163 1.00 0.00 H new ATOM 0 HB2 ASN A 25 25.062 28.960 -16.501 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.864 30.172 -16.909 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.630 26.740 -18.037 1.00 0.00 H new ATOM 0 HD22 ASN A 25 23.193 27.383 -16.491 1.00 0.00 H new ATOM 390 N PHE A 26 27.106 31.177 -16.676 1.00 0.00 N ATOM 391 CA PHE A 26 27.714 32.282 -15.943 1.00 0.00 C ATOM 392 C PHE A 26 28.501 33.187 -16.887 1.00 0.00 C ATOM 393 O PHE A 26 28.641 34.385 -16.642 1.00 0.00 O ATOM 394 CB PHE A 26 28.645 31.740 -14.856 1.00 0.00 C ATOM 395 CG PHE A 26 29.180 32.887 -14.033 1.00 0.00 C ATOM 396 CD1 PHE A 26 28.395 33.447 -13.018 1.00 0.00 C ATOM 397 CD2 PHE A 26 30.463 33.390 -14.284 1.00 0.00 C ATOM 398 CE1 PHE A 26 28.892 34.510 -12.254 1.00 0.00 C ATOM 399 CE2 PHE A 26 30.959 34.453 -13.520 1.00 0.00 C ATOM 400 CZ PHE A 26 30.174 35.013 -12.505 1.00 0.00 C ATOM 0 H PHE A 26 27.507 30.262 -16.472 1.00 0.00 H new ATOM 0 HA PHE A 26 26.918 32.866 -15.481 1.00 0.00 H new ATOM 0 HB2 PHE A 26 28.107 31.040 -14.217 1.00 0.00 H new ATOM 0 HB3 PHE A 26 29.469 31.189 -15.310 1.00 0.00 H new ATOM 0 HD1 PHE A 26 27.406 33.059 -12.824 1.00 0.00 H new ATOM 0 HD2 PHE A 26 31.069 32.958 -15.066 1.00 0.00 H new ATOM 0 HE1 PHE A 26 28.286 34.942 -11.471 1.00 0.00 H new ATOM 0 HE2 PHE A 26 31.948 34.841 -13.714 1.00 0.00 H new ATOM 0 HZ PHE A 26 30.557 35.833 -11.916 1.00 0.00 H new ATOM 410 N LEU A 27 29.016 32.604 -17.964 1.00 0.00 N ATOM 411 CA LEU A 27 29.794 33.361 -18.939 1.00 0.00 C ATOM 412 C LEU A 27 28.931 34.457 -19.567 1.00 0.00 C ATOM 413 O LEU A 27 29.401 35.569 -19.807 1.00 0.00 O ATOM 414 CB LEU A 27 30.324 32.393 -20.018 1.00 0.00 C ATOM 415 CG LEU A 27 31.213 33.091 -21.073 1.00 0.00 C ATOM 416 CD1 LEU A 27 30.347 33.745 -22.162 1.00 0.00 C ATOM 417 CD2 LEU A 27 32.125 34.144 -20.423 1.00 0.00 C ATOM 0 H LEU A 27 28.910 31.614 -18.184 1.00 0.00 H new ATOM 0 HA LEU A 27 30.638 33.842 -18.445 1.00 0.00 H new ATOM 0 HB2 LEU A 27 30.896 31.600 -19.537 1.00 0.00 H new ATOM 0 HB3 LEU A 27 29.480 31.919 -20.519 1.00 0.00 H new ATOM 0 HG LEU A 27 31.843 32.329 -21.532 1.00 0.00 H new ATOM 0 HD11 LEU A 27 30.990 34.231 -22.895 1.00 0.00 H new ATOM 0 HD12 LEU A 27 29.746 32.982 -22.656 1.00 0.00 H new ATOM 0 HD13 LEU A 27 29.690 34.487 -21.708 1.00 0.00 H new ATOM 0 HD21 LEU A 27 32.738 34.618 -21.190 1.00 0.00 H new ATOM 0 HD22 LEU A 27 31.514 34.899 -19.929 1.00 0.00 H new ATOM 0 HD23 LEU A 27 32.771 33.663 -19.689 1.00 0.00 H new ATOM 429 N VAL A 28 27.662 34.148 -19.812 1.00 0.00 N ATOM 430 CA VAL A 28 26.753 35.129 -20.397 1.00 0.00 C ATOM 431 C VAL A 28 25.999 35.888 -19.306 1.00 0.00 C ATOM 432 O VAL A 28 25.639 37.051 -19.488 1.00 0.00 O ATOM 433 CB VAL A 28 25.759 34.444 -21.339 1.00 0.00 C ATOM 434 CG1 VAL A 28 26.525 33.649 -22.398 1.00 0.00 C ATOM 435 CG2 VAL A 28 24.861 33.494 -20.541 1.00 0.00 C ATOM 0 H VAL A 28 27.243 33.239 -19.618 1.00 0.00 H new ATOM 0 HA VAL A 28 27.348 35.841 -20.969 1.00 0.00 H new ATOM 0 HB VAL A 28 25.143 35.201 -21.824 1.00 0.00 H new ATOM 0 HG11 VAL A 28 25.818 33.161 -23.069 1.00 0.00 H new ATOM 0 HG12 VAL A 28 27.161 34.324 -22.970 1.00 0.00 H new ATOM 0 HG13 VAL A 28 27.142 32.894 -21.911 1.00 0.00 H new ATOM 0 HG21 VAL A 28 24.155 33.009 -21.215 1.00 0.00 H new ATOM 0 HG22 VAL A 28 25.475 32.738 -20.052 1.00 0.00 H new ATOM 0 HG23 VAL A 28 24.313 34.059 -19.787 1.00 0.00 H new ATOM 445 N HIS A 29 25.770 35.235 -18.172 1.00 0.00 N ATOM 446 CA HIS A 29 25.067 35.877 -17.067 1.00 0.00 C ATOM 447 C HIS A 29 25.868 37.068 -16.552 1.00 0.00 C ATOM 448 O HIS A 29 25.315 38.137 -16.290 1.00 0.00 O ATOM 449 CB HIS A 29 24.854 34.876 -15.928 1.00 0.00 C ATOM 450 CG HIS A 29 23.981 35.497 -14.873 1.00 0.00 C ATOM 451 ND1 HIS A 29 22.633 35.745 -15.080 1.00 0.00 N ATOM 452 CD2 HIS A 29 24.249 35.926 -13.596 1.00 0.00 C ATOM 453 CE1 HIS A 29 22.144 36.298 -13.955 1.00 0.00 C ATOM 454 NE2 HIS A 29 23.088 36.431 -13.018 1.00 0.00 N ATOM 0 H HIS A 29 26.057 34.272 -17.994 1.00 0.00 H new ATOM 0 HA HIS A 29 24.099 36.226 -17.428 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.390 33.967 -16.310 1.00 0.00 H new ATOM 0 HB3 HIS A 29 25.813 34.588 -15.498 1.00 0.00 H new ATOM 0 HD2 HIS A 29 25.214 35.879 -13.114 1.00 0.00 H new ATOM 0 HE1 HIS A 29 21.115 36.598 -13.825 1.00 0.00 H new ATOM 0 HE2 HIS A 29 22.981 36.819 -12.081 1.00 0.00 H new ATOM 463 N SER A 30 27.174 36.872 -16.408 1.00 0.00 N ATOM 464 CA SER A 30 28.047 37.934 -15.920 1.00 0.00 C ATOM 465 C SER A 30 28.358 38.940 -17.030 1.00 0.00 C ATOM 466 O SER A 30 28.823 40.047 -16.761 1.00 0.00 O ATOM 467 CB SER A 30 29.350 37.339 -15.387 1.00 0.00 C ATOM 468 OG SER A 30 30.167 38.382 -14.873 1.00 0.00 O ATOM 0 H SER A 30 27.649 35.995 -16.620 1.00 0.00 H new ATOM 0 HA SER A 30 27.529 38.455 -15.115 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.137 36.610 -14.606 1.00 0.00 H new ATOM 0 HB3 SER A 30 29.874 36.810 -16.183 1.00 0.00 H new ATOM 0 HG SER A 30 31.003 38.003 -14.529 1.00 0.00 H new ATOM 474 N SER A 31 28.107 38.544 -18.277 1.00 0.00 N ATOM 475 CA SER A 31 28.371 39.415 -19.418 1.00 0.00 C ATOM 476 C SER A 31 27.806 40.814 -19.190 1.00 0.00 C ATOM 477 O SER A 31 28.313 41.789 -19.742 1.00 0.00 O ATOM 478 CB SER A 31 27.756 38.817 -20.683 1.00 0.00 C ATOM 479 OG SER A 31 28.127 39.608 -21.804 1.00 0.00 O ATOM 0 H SER A 31 27.723 37.631 -18.521 1.00 0.00 H new ATOM 0 HA SER A 31 29.452 39.496 -19.535 1.00 0.00 H new ATOM 0 HB2 SER A 31 28.098 37.791 -20.818 1.00 0.00 H new ATOM 0 HB3 SER A 31 26.670 38.781 -20.592 1.00 0.00 H new ATOM 0 HG SER A 31 27.736 39.227 -22.617 1.00 0.00 H new ATOM 485 N ASN A 32 26.759 40.914 -18.381 1.00 0.00 N ATOM 486 CA ASN A 32 26.154 42.213 -18.106 1.00 0.00 C ATOM 487 C ASN A 32 27.182 43.159 -17.496 1.00 0.00 C ATOM 488 O ASN A 32 27.225 44.344 -17.825 1.00 0.00 O ATOM 489 CB ASN A 32 24.974 42.049 -17.147 1.00 0.00 C ATOM 490 CG ASN A 32 25.458 41.492 -15.813 1.00 0.00 C ATOM 491 OD1 ASN A 32 26.317 40.611 -15.781 1.00 0.00 O ATOM 492 ND2 ASN A 32 24.954 41.956 -14.702 1.00 0.00 N ATOM 0 H ASN A 32 26.316 40.125 -17.910 1.00 0.00 H new ATOM 0 HA ASN A 32 25.798 42.635 -19.046 1.00 0.00 H new ATOM 0 HB2 ASN A 32 24.484 43.010 -16.993 1.00 0.00 H new ATOM 0 HB3 ASN A 32 24.232 41.380 -17.582 1.00 0.00 H new ATOM 0 HD21 ASN A 32 25.272 41.589 -13.805 1.00 0.00 H new ATOM 0 HD22 ASN A 32 24.242 42.686 -14.731 1.00 0.00 H new ATOM 499 N ASN A 33 28.012 42.623 -16.609 1.00 0.00 N ATOM 500 CA ASN A 33 29.042 43.429 -15.963 1.00 0.00 C ATOM 501 C ASN A 33 30.074 43.883 -16.990 1.00 0.00 C ATOM 502 O ASN A 33 30.558 45.013 -16.948 1.00 0.00 O ATOM 503 CB ASN A 33 29.730 42.620 -14.861 1.00 0.00 C ATOM 504 CG ASN A 33 28.773 42.414 -13.692 1.00 0.00 C ATOM 505 OD1 ASN A 33 28.442 41.278 -13.353 1.00 0.00 O ATOM 506 ND2 ASN A 33 28.307 43.451 -13.052 1.00 0.00 N ATOM 0 H ASN A 33 27.994 41.644 -16.323 1.00 0.00 H new ATOM 0 HA ASN A 33 28.571 44.306 -15.519 1.00 0.00 H new ATOM 0 HB2 ASN A 33 30.051 41.655 -15.253 1.00 0.00 H new ATOM 0 HB3 ASN A 33 30.626 43.140 -14.521 1.00 0.00 H new ATOM 0 HD21 ASN A 33 27.667 43.321 -12.269 1.00 0.00 H new ATOM 0 HD22 ASN A 33 28.583 44.391 -13.335 1.00 0.00 H new ATOM 513 N PHE A 34 30.401 42.982 -17.911 1.00 0.00 N ATOM 514 CA PHE A 34 31.377 43.277 -18.955 1.00 0.00 C ATOM 515 C PHE A 34 31.001 44.557 -19.696 1.00 0.00 C ATOM 516 O PHE A 34 31.870 45.345 -20.069 1.00 0.00 O ATOM 517 CB PHE A 34 31.454 42.114 -19.947 1.00 0.00 C ATOM 518 CG PHE A 34 32.503 42.411 -20.991 1.00 0.00 C ATOM 519 CD1 PHE A 34 33.857 42.196 -20.705 1.00 0.00 C ATOM 520 CD2 PHE A 34 32.122 42.899 -22.247 1.00 0.00 C ATOM 521 CE1 PHE A 34 34.829 42.470 -21.674 1.00 0.00 C ATOM 522 CE2 PHE A 34 33.095 43.173 -23.216 1.00 0.00 C ATOM 523 CZ PHE A 34 34.448 42.959 -22.929 1.00 0.00 C ATOM 0 H PHE A 34 30.005 42.043 -17.956 1.00 0.00 H new ATOM 0 HA PHE A 34 32.350 43.416 -18.484 1.00 0.00 H new ATOM 0 HB2 PHE A 34 31.699 41.190 -19.423 1.00 0.00 H new ATOM 0 HB3 PHE A 34 30.485 41.963 -20.423 1.00 0.00 H new ATOM 0 HD1 PHE A 34 34.151 41.819 -19.737 1.00 0.00 H new ATOM 0 HD2 PHE A 34 31.078 43.064 -22.468 1.00 0.00 H new ATOM 0 HE1 PHE A 34 35.873 42.304 -21.453 1.00 0.00 H new ATOM 0 HE2 PHE A 34 32.801 43.549 -24.185 1.00 0.00 H new ATOM 0 HZ PHE A 34 35.198 43.171 -23.676 1.00 0.00 H new ATOM 533 N GLY A 35 29.705 44.761 -19.901 1.00 0.00 N ATOM 534 CA GLY A 35 29.233 45.955 -20.595 1.00 0.00 C ATOM 535 C GLY A 35 29.639 47.215 -19.839 1.00 0.00 C ATOM 536 O GLY A 35 30.305 48.091 -20.391 1.00 0.00 O ATOM 0 H GLY A 35 28.968 44.123 -19.600 1.00 0.00 H new ATOM 0 HA2 GLY A 35 29.645 45.982 -21.604 1.00 0.00 H new ATOM 0 HA3 GLY A 35 28.148 45.919 -20.695 1.00 0.00 H new ATOM 540 N ALA A 36 29.236 47.304 -18.576 1.00 0.00 N ATOM 541 CA ALA A 36 29.571 48.467 -17.761 1.00 0.00 C ATOM 542 C ALA A 36 31.085 48.612 -17.634 1.00 0.00 C ATOM 543 O ALA A 36 31.613 49.723 -17.605 1.00 0.00 O ATOM 544 CB ALA A 36 28.951 48.326 -16.369 1.00 0.00 C ATOM 0 H ALA A 36 28.683 46.593 -18.098 1.00 0.00 H new ATOM 0 HA ALA A 36 29.171 49.357 -18.247 1.00 0.00 H new ATOM 0 HB1 ALA A 36 29.206 49.198 -15.767 1.00 0.00 H new ATOM 0 HB2 ALA A 36 27.867 48.252 -16.459 1.00 0.00 H new ATOM 0 HB3 ALA A 36 29.338 47.428 -15.888 1.00 0.00 H new ATOM 550 N ILE A 37 31.775 47.478 -17.561 1.00 0.00 N ATOM 551 CA ILE A 37 33.228 47.480 -17.439 1.00 0.00 C ATOM 552 C ILE A 37 33.869 48.158 -18.646 1.00 0.00 C ATOM 553 O ILE A 37 34.906 48.810 -18.529 1.00 0.00 O ATOM 554 CB ILE A 37 33.745 46.044 -17.330 1.00 0.00 C ATOM 555 CG1 ILE A 37 33.422 45.488 -15.939 1.00 0.00 C ATOM 556 CG2 ILE A 37 35.260 46.027 -17.546 1.00 0.00 C ATOM 557 CD1 ILE A 37 33.670 43.978 -15.920 1.00 0.00 C ATOM 0 H ILE A 37 31.353 46.550 -17.584 1.00 0.00 H new ATOM 0 HA ILE A 37 33.495 48.035 -16.539 1.00 0.00 H new ATOM 0 HB ILE A 37 33.263 45.428 -18.089 1.00 0.00 H new ATOM 0 HG12 ILE A 37 34.041 45.978 -15.188 1.00 0.00 H new ATOM 0 HG13 ILE A 37 32.384 45.700 -15.684 1.00 0.00 H new ATOM 0 HG21 ILE A 37 35.627 45.004 -17.468 1.00 0.00 H new ATOM 0 HG22 ILE A 37 35.491 46.421 -18.536 1.00 0.00 H new ATOM 0 HG23 ILE A 37 35.743 46.644 -16.788 1.00 0.00 H new ATOM 0 HD11 ILE A 37 33.440 43.584 -14.930 1.00 0.00 H new ATOM 0 HD12 ILE A 37 33.032 43.495 -16.660 1.00 0.00 H new ATOM 0 HD13 ILE A 37 34.715 43.778 -16.156 1.00 0.00 H new ATOM 569 N LEU A 38 33.241 47.993 -19.805 1.00 0.00 N ATOM 570 CA LEU A 38 33.752 48.585 -21.036 1.00 0.00 C ATOM 571 C LEU A 38 33.677 50.107 -20.975 1.00 0.00 C ATOM 572 O LEU A 38 34.503 50.799 -21.570 1.00 0.00 O ATOM 573 CB LEU A 38 32.948 48.074 -22.234 1.00 0.00 C ATOM 574 CG LEU A 38 33.620 48.517 -23.537 1.00 0.00 C ATOM 575 CD1 LEU A 38 34.946 47.770 -23.716 1.00 0.00 C ATOM 576 CD2 LEU A 38 32.694 48.203 -24.716 1.00 0.00 C ATOM 0 H LEU A 38 32.381 47.457 -19.918 1.00 0.00 H new ATOM 0 HA LEU A 38 34.796 48.294 -21.150 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.880 46.987 -22.201 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.929 48.459 -22.191 1.00 0.00 H new ATOM 0 HG LEU A 38 33.814 49.589 -23.498 1.00 0.00 H new ATOM 0 HD11 LEU A 38 35.421 48.088 -24.644 1.00 0.00 H new ATOM 0 HD12 LEU A 38 35.605 47.992 -22.877 1.00 0.00 H new ATOM 0 HD13 LEU A 38 34.757 46.697 -23.755 1.00 0.00 H new ATOM 0 HD21 LEU A 38 33.169 48.517 -25.645 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.501 47.131 -24.751 1.00 0.00 H new ATOM 0 HD23 LEU A 38 31.752 48.737 -24.591 1.00 0.00 H new ATOM 588 N SER A 39 32.692 50.624 -20.249 1.00 0.00 N ATOM 589 CA SER A 39 32.536 52.068 -20.119 1.00 0.00 C ATOM 590 C SER A 39 33.707 52.659 -19.339 1.00 0.00 C ATOM 591 O SER A 39 34.197 53.741 -19.661 1.00 0.00 O ATOM 592 CB SER A 39 31.225 52.393 -19.403 1.00 0.00 C ATOM 593 OG SER A 39 30.133 51.989 -20.217 1.00 0.00 O ATOM 0 H SER A 39 31.997 50.072 -19.747 1.00 0.00 H new ATOM 0 HA SER A 39 32.517 52.506 -21.117 1.00 0.00 H new ATOM 0 HB2 SER A 39 31.186 51.881 -18.442 1.00 0.00 H new ATOM 0 HB3 SER A 39 31.165 53.462 -19.198 1.00 0.00 H new ATOM 0 HG SER A 39 29.291 52.194 -19.760 1.00 0.00 H new ATOM 599 N SER A 40 34.150 51.939 -18.314 1.00 0.00 N ATOM 600 CA SER A 40 35.266 52.398 -17.495 1.00 0.00 C ATOM 601 C SER A 40 36.557 51.699 -17.911 1.00 0.00 C ATOM 602 O SER A 40 37.484 51.559 -17.113 1.00 0.00 O ATOM 603 CB SER A 40 34.983 52.114 -16.020 1.00 0.00 C ATOM 604 OG SER A 40 33.816 52.821 -15.622 1.00 0.00 O ATOM 0 H SER A 40 33.757 51.041 -18.032 1.00 0.00 H new ATOM 0 HA SER A 40 35.383 53.472 -17.641 1.00 0.00 H new ATOM 0 HB2 SER A 40 34.845 51.044 -15.864 1.00 0.00 H new ATOM 0 HB3 SER A 40 35.833 52.419 -15.409 1.00 0.00 H new ATOM 0 HG SER A 40 33.630 52.640 -14.677 1.00 0.00 H new ATOM 610 N THR A 41 36.610 51.260 -19.164 1.00 0.00 N ATOM 611 CA THR A 41 37.792 50.575 -19.676 1.00 0.00 C ATOM 612 C THR A 41 39.048 51.411 -19.443 1.00 0.00 C ATOM 613 O THR A 41 40.157 50.880 -19.403 1.00 0.00 O ATOM 614 CB THR A 41 37.629 50.303 -21.173 1.00 0.00 C ATOM 615 OG1 THR A 41 38.679 49.454 -21.615 1.00 0.00 O ATOM 616 CG2 THR A 41 37.680 51.625 -21.941 1.00 0.00 C ATOM 0 H THR A 41 35.854 51.365 -19.840 1.00 0.00 H new ATOM 0 HA THR A 41 37.898 49.631 -19.142 1.00 0.00 H new ATOM 0 HB THR A 41 36.670 49.818 -21.353 1.00 0.00 H new ATOM 0 HG1 THR A 41 38.575 49.277 -22.573 1.00 0.00 H new ATOM 0 HG21 THR A 41 37.564 51.431 -23.007 1.00 0.00 H new ATOM 0 HG22 THR A 41 36.874 52.275 -21.601 1.00 0.00 H new ATOM 0 HG23 THR A 41 38.639 52.112 -21.763 1.00 0.00 H new ATOM 624 N ASN A 42 38.868 52.720 -19.293 1.00 0.00 N ATOM 625 CA ASN A 42 39.998 53.614 -19.068 1.00 0.00 C ATOM 626 C ASN A 42 40.280 53.773 -17.575 1.00 0.00 C ATOM 627 O ASN A 42 40.915 54.740 -17.156 1.00 0.00 O ATOM 628 CB ASN A 42 39.707 54.985 -19.681 1.00 0.00 C ATOM 629 CG ASN A 42 38.577 55.668 -18.919 1.00 0.00 C ATOM 630 OD1 ASN A 42 37.900 55.032 -18.111 1.00 0.00 O ATOM 631 ND2 ASN A 42 38.331 56.932 -19.129 1.00 0.00 N ATOM 0 H ASN A 42 37.959 53.182 -19.323 1.00 0.00 H new ATOM 0 HA ASN A 42 40.877 53.178 -19.543 1.00 0.00 H new ATOM 0 HB2 ASN A 42 40.604 55.604 -19.650 1.00 0.00 H new ATOM 0 HB3 ASN A 42 39.433 54.873 -20.730 1.00 0.00 H new ATOM 0 HD21 ASN A 42 37.576 57.396 -18.623 1.00 0.00 H new ATOM 0 HD22 ASN A 42 38.893 57.457 -19.799 1.00 0.00 H new ATOM 638 N VAL A 43 39.808 52.819 -16.777 1.00 0.00 N ATOM 639 CA VAL A 43 40.022 52.870 -15.335 1.00 0.00 C ATOM 640 C VAL A 43 41.307 52.134 -14.951 1.00 0.00 C ATOM 641 O VAL A 43 41.486 51.737 -13.801 1.00 0.00 O ATOM 642 CB VAL A 43 38.823 52.245 -14.612 1.00 0.00 C ATOM 643 CG1 VAL A 43 38.907 50.717 -14.693 1.00 0.00 C ATOM 644 CG2 VAL A 43 38.818 52.683 -13.142 1.00 0.00 C ATOM 0 H VAL A 43 39.280 52.009 -17.101 1.00 0.00 H new ATOM 0 HA VAL A 43 40.122 53.913 -15.035 1.00 0.00 H new ATOM 0 HB VAL A 43 37.903 52.580 -15.091 1.00 0.00 H new ATOM 0 HG11 VAL A 43 38.053 50.278 -14.178 1.00 0.00 H new ATOM 0 HG12 VAL A 43 38.899 50.407 -15.738 1.00 0.00 H new ATOM 0 HG13 VAL A 43 39.829 50.378 -14.221 1.00 0.00 H new ATOM 0 HG21 VAL A 43 37.964 52.237 -12.632 1.00 0.00 H new ATOM 0 HG22 VAL A 43 39.740 52.355 -12.661 1.00 0.00 H new ATOM 0 HG23 VAL A 43 38.746 53.769 -13.086 1.00 0.00 H new ATOM 654 N GLY A 44 42.202 51.959 -15.921 1.00 0.00 N ATOM 655 CA GLY A 44 43.463 51.272 -15.664 1.00 0.00 C ATOM 656 C GLY A 44 43.423 49.829 -16.166 1.00 0.00 C ATOM 657 O GLY A 44 44.462 49.181 -16.290 1.00 0.00 O ATOM 0 H GLY A 44 42.079 52.280 -16.881 1.00 0.00 H new ATOM 0 HA2 GLY A 44 44.277 51.807 -16.153 1.00 0.00 H new ATOM 0 HA3 GLY A 44 43.673 51.281 -14.594 1.00 0.00 H new ATOM 661 N SER A 45 42.223 49.329 -16.452 1.00 0.00 N ATOM 662 CA SER A 45 42.074 47.962 -16.937 1.00 0.00 C ATOM 663 C SER A 45 42.082 47.929 -18.463 1.00 0.00 C ATOM 664 O SER A 45 41.452 47.069 -19.078 1.00 0.00 O ATOM 665 CB SER A 45 40.765 47.365 -16.420 1.00 0.00 C ATOM 666 OG SER A 45 39.674 48.141 -16.897 1.00 0.00 O ATOM 0 H SER A 45 41.348 49.845 -16.357 1.00 0.00 H new ATOM 0 HA SER A 45 42.914 47.373 -16.568 1.00 0.00 H new ATOM 0 HB2 SER A 45 40.666 46.332 -16.755 1.00 0.00 H new ATOM 0 HB3 SER A 45 40.765 47.348 -15.330 1.00 0.00 H new ATOM 0 HG SER A 45 38.833 47.760 -16.569 1.00 0.00 H new ATOM 672 N ASN A 46 42.799 48.872 -19.067 1.00 0.00 N ATOM 673 CA ASN A 46 42.882 48.941 -20.522 1.00 0.00 C ATOM 674 C ASN A 46 44.097 48.172 -21.030 1.00 0.00 C ATOM 675 O ASN A 46 44.620 48.460 -22.106 1.00 0.00 O ATOM 676 CB ASN A 46 42.977 50.401 -20.971 1.00 0.00 C ATOM 677 CG ASN A 46 44.322 50.987 -20.554 1.00 0.00 C ATOM 678 OD1 ASN A 46 44.979 50.459 -19.658 1.00 0.00 O ATOM 679 ND2 ASN A 46 44.773 52.053 -21.156 1.00 0.00 N ATOM 0 H ASN A 46 43.327 49.594 -18.576 1.00 0.00 H new ATOM 0 HA ASN A 46 41.982 48.489 -20.938 1.00 0.00 H new ATOM 0 HB2 ASN A 46 42.862 50.466 -22.053 1.00 0.00 H new ATOM 0 HB3 ASN A 46 42.166 50.980 -20.529 1.00 0.00 H new ATOM 0 HD21 ASN A 46 45.672 52.450 -20.884 1.00 0.00 H new ATOM 0 HD22 ASN A 46 44.226 52.489 -21.899 1.00 0.00 H new ATOM 686 N THR A 47 44.543 47.193 -20.249 1.00 0.00 N ATOM 687 CA THR A 47 45.699 46.390 -20.632 1.00 0.00 C ATOM 688 C THR A 47 45.265 45.155 -21.418 1.00 0.00 C ATOM 689 O THR A 47 45.979 44.153 -21.458 1.00 0.00 O ATOM 690 CB THR A 47 46.470 45.956 -19.383 1.00 0.00 C ATOM 691 OG1 THR A 47 46.433 47.001 -18.420 1.00 0.00 O ATOM 692 CG2 THR A 47 47.922 45.654 -19.756 1.00 0.00 C ATOM 0 H THR A 47 44.125 46.938 -19.354 1.00 0.00 H new ATOM 0 HA THR A 47 46.343 46.999 -21.266 1.00 0.00 H new ATOM 0 HB THR A 47 46.012 45.059 -18.965 1.00 0.00 H new ATOM 0 HG1 THR A 47 46.925 46.725 -17.618 1.00 0.00 H new ATOM 0 HG21 THR A 47 48.470 45.345 -18.866 1.00 0.00 H new ATOM 0 HG22 THR A 47 47.949 44.853 -20.495 1.00 0.00 H new ATOM 0 HG23 THR A 47 48.384 46.548 -20.174 1.00 0.00 H new ATOM 700 N TYR A 48 44.094 45.234 -22.042 1.00 0.00 N ATOM 701 CA TYR A 48 43.580 44.115 -22.824 1.00 0.00 C ATOM 702 C TYR A 48 42.879 44.617 -24.085 1.00 0.00 C ATOM 703 O TYR A 48 42.022 43.932 -24.644 1.00 0.00 O ATOM 704 CB TYR A 48 42.600 43.297 -21.980 1.00 0.00 C ATOM 705 CG TYR A 48 41.269 44.009 -21.913 1.00 0.00 C ATOM 706 CD1 TYR A 48 40.155 43.474 -22.571 1.00 0.00 C ATOM 707 CD2 TYR A 48 41.150 45.203 -21.193 1.00 0.00 C ATOM 708 CE1 TYR A 48 38.922 44.134 -22.509 1.00 0.00 C ATOM 709 CE2 TYR A 48 39.917 45.863 -21.131 1.00 0.00 C ATOM 710 CZ TYR A 48 38.803 45.329 -21.789 1.00 0.00 C ATOM 711 OH TYR A 48 37.587 45.979 -21.728 1.00 0.00 O ATOM 0 H TYR A 48 43.487 46.054 -22.022 1.00 0.00 H new ATOM 0 HA TYR A 48 44.419 43.485 -23.118 1.00 0.00 H new ATOM 0 HB2 TYR A 48 42.471 42.305 -22.414 1.00 0.00 H new ATOM 0 HB3 TYR A 48 42.999 43.157 -20.976 1.00 0.00 H new ATOM 0 HD1 TYR A 48 40.247 42.552 -23.126 1.00 0.00 H new ATOM 0 HD2 TYR A 48 42.009 45.615 -20.685 1.00 0.00 H new ATOM 0 HE1 TYR A 48 38.063 43.721 -23.017 1.00 0.00 H new ATOM 0 HE2 TYR A 48 39.825 46.785 -20.575 1.00 0.00 H new ATOM 0 HH TYR A 48 37.677 46.792 -21.188 1.00 0.00 H new ATOM 721 N GLY A 49 43.250 45.814 -24.528 1.00 0.00 N ATOM 722 CA GLY A 49 42.649 46.395 -25.723 1.00 0.00 C ATOM 723 C GLY A 49 42.843 45.484 -26.930 1.00 0.00 C ATOM 724 O GLY A 49 43.878 44.833 -27.070 1.00 0.00 O ATOM 0 H GLY A 49 43.958 46.397 -24.082 1.00 0.00 H new ATOM 0 HA2 GLY A 49 41.585 46.561 -25.555 1.00 0.00 H new ATOM 0 HA3 GLY A 49 43.096 47.369 -25.922 1.00 0.00 H new ATOM 728 N LYS A 50 41.839 45.445 -27.801 1.00 0.00 N ATOM 729 CA LYS A 50 41.907 44.612 -28.996 1.00 0.00 C ATOM 730 C LYS A 50 43.045 45.066 -29.904 1.00 0.00 C ATOM 731 O LYS A 50 43.713 44.246 -30.535 1.00 0.00 O ATOM 732 CB LYS A 50 40.583 44.685 -29.759 1.00 0.00 C ATOM 733 CG LYS A 50 39.495 43.959 -28.964 1.00 0.00 C ATOM 734 CD LYS A 50 38.223 43.857 -29.809 1.00 0.00 C ATOM 735 CE LYS A 50 37.590 45.243 -29.952 1.00 0.00 C ATOM 736 NZ LYS A 50 37.253 45.776 -28.603 1.00 0.00 N ATOM 0 H LYS A 50 40.974 45.977 -27.703 1.00 0.00 H new ATOM 0 HA LYS A 50 42.093 43.583 -28.688 1.00 0.00 H new ATOM 0 HB2 LYS A 50 40.299 45.725 -29.918 1.00 0.00 H new ATOM 0 HB3 LYS A 50 40.693 44.231 -30.744 1.00 0.00 H new ATOM 0 HG2 LYS A 50 39.838 42.963 -28.684 1.00 0.00 H new ATOM 0 HG3 LYS A 50 39.287 44.496 -28.039 1.00 0.00 H new ATOM 0 HD2 LYS A 50 38.459 43.451 -30.792 1.00 0.00 H new ATOM 0 HD3 LYS A 50 37.518 43.170 -29.341 1.00 0.00 H new ATOM 0 HE2 LYS A 50 38.278 45.918 -30.460 1.00 0.00 H new ATOM 0 HE3 LYS A 50 36.691 45.183 -30.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 36.480 46.467 -28.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 36.953 44.994 -27.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 38.089 46.239 -28.194 1.00 0.00 H new ATOM 750 N ARG A 51 43.258 46.377 -29.967 1.00 0.00 N ATOM 751 CA ARG A 51 44.316 46.930 -30.805 1.00 0.00 C ATOM 752 C ARG A 51 45.634 46.200 -30.562 1.00 0.00 C ATOM 753 O ARG A 51 46.446 46.047 -31.473 1.00 0.00 O ATOM 754 CB ARG A 51 44.492 48.422 -30.511 1.00 0.00 C ATOM 755 CG ARG A 51 45.064 48.609 -29.103 1.00 0.00 C ATOM 756 CD ARG A 51 45.121 50.100 -28.770 1.00 0.00 C ATOM 757 NE ARG A 51 45.708 50.301 -27.448 1.00 0.00 N ATOM 758 CZ ARG A 51 44.997 50.139 -26.331 1.00 0.00 C ATOM 759 NH1 ARG A 51 43.737 49.788 -26.382 1.00 0.00 N ATOM 760 NH2 ARG A 51 45.565 50.333 -25.172 1.00 0.00 N ATOM 0 H ARG A 51 42.717 47.071 -29.452 1.00 0.00 H new ATOM 0 HA ARG A 51 44.031 46.798 -31.849 1.00 0.00 H new ATOM 0 HB2 ARG A 51 45.159 48.871 -31.247 1.00 0.00 H new ATOM 0 HB3 ARG A 51 43.534 48.934 -30.595 1.00 0.00 H new ATOM 0 HG2 ARG A 51 44.444 48.086 -28.375 1.00 0.00 H new ATOM 0 HG3 ARG A 51 46.062 48.174 -29.043 1.00 0.00 H new ATOM 0 HD2 ARG A 51 45.711 50.625 -29.521 1.00 0.00 H new ATOM 0 HD3 ARG A 51 44.118 50.525 -28.798 1.00 0.00 H new ATOM 0 HE ARG A 51 46.689 50.573 -27.377 1.00 0.00 H new ATOM 0 HH11 ARG A 51 43.286 49.635 -27.284 1.00 0.00 H new ATOM 0 HH12 ARG A 51 43.206 49.668 -25.520 1.00 0.00 H new ATOM 0 HH21 ARG A 51 46.546 50.607 -25.124 1.00 0.00 H new ATOM 0 HH22 ARG A 51 45.027 50.211 -24.314 1.00 0.00 H new ATOM 774 N ASN A 52 45.841 45.751 -29.329 1.00 0.00 N ATOM 775 CA ASN A 52 47.066 45.039 -28.986 1.00 0.00 C ATOM 776 C ASN A 52 47.174 43.742 -29.783 1.00 0.00 C ATOM 777 O ASN A 52 48.237 43.409 -30.308 1.00 0.00 O ATOM 778 CB ASN A 52 47.079 44.718 -27.490 1.00 0.00 C ATOM 779 CG ASN A 52 48.379 44.012 -27.120 1.00 0.00 C ATOM 780 OD1 ASN A 52 49.454 44.607 -27.201 1.00 0.00 O ATOM 781 ND2 ASN A 52 48.345 42.771 -26.719 1.00 0.00 N ATOM 0 H ASN A 52 45.184 45.866 -28.558 1.00 0.00 H new ATOM 0 HA ASN A 52 47.915 45.676 -29.232 1.00 0.00 H new ATOM 0 HB2 ASN A 52 46.977 45.636 -26.912 1.00 0.00 H new ATOM 0 HB3 ASN A 52 46.228 44.086 -27.238 1.00 0.00 H new ATOM 0 HD21 ASN A 52 49.210 42.291 -26.472 1.00 0.00 H new ATOM 0 HD22 ASN A 52 47.453 42.281 -26.653 1.00 0.00 H new ATOM 788 N ALA A 53 46.066 43.013 -29.860 1.00 0.00 N ATOM 789 CA ALA A 53 46.039 41.748 -30.586 1.00 0.00 C ATOM 790 C ALA A 53 46.304 41.967 -32.073 1.00 0.00 C ATOM 791 O ALA A 53 47.092 41.246 -32.684 1.00 0.00 O ATOM 792 CB ALA A 53 44.681 41.070 -30.403 1.00 0.00 C ATOM 0 H ALA A 53 45.178 43.274 -29.431 1.00 0.00 H new ATOM 0 HA ALA A 53 46.824 41.108 -30.183 1.00 0.00 H new ATOM 0 HB1 ALA A 53 44.669 40.126 -30.948 1.00 0.00 H new ATOM 0 HB2 ALA A 53 44.509 40.879 -29.344 1.00 0.00 H new ATOM 0 HB3 ALA A 53 43.895 41.720 -30.787 1.00 0.00 H new ATOM 798 N VAL A 54 45.636 42.958 -32.653 1.00 0.00 N ATOM 799 CA VAL A 54 45.806 43.251 -34.073 1.00 0.00 C ATOM 800 C VAL A 54 47.194 43.823 -34.350 1.00 0.00 C ATOM 801 O VAL A 54 47.688 43.759 -35.478 1.00 0.00 O ATOM 802 CB VAL A 54 44.732 44.245 -34.531 1.00 0.00 C ATOM 803 CG1 VAL A 54 45.316 45.660 -34.593 1.00 0.00 C ATOM 804 CG2 VAL A 54 44.230 43.842 -35.920 1.00 0.00 C ATOM 0 H VAL A 54 44.977 43.567 -32.168 1.00 0.00 H new ATOM 0 HA VAL A 54 45.701 42.320 -34.631 1.00 0.00 H new ATOM 0 HB VAL A 54 43.906 44.232 -33.820 1.00 0.00 H new ATOM 0 HG11 VAL A 54 44.545 46.358 -34.919 1.00 0.00 H new ATOM 0 HG12 VAL A 54 45.673 45.950 -33.605 1.00 0.00 H new ATOM 0 HG13 VAL A 54 46.146 45.680 -35.299 1.00 0.00 H new ATOM 0 HG21 VAL A 54 43.466 44.546 -36.249 1.00 0.00 H new ATOM 0 HG22 VAL A 54 45.062 43.853 -36.625 1.00 0.00 H new ATOM 0 HG23 VAL A 54 43.804 42.839 -35.876 1.00 0.00 H new ATOM 814 N GLU A 55 47.823 44.380 -33.318 1.00 0.00 N ATOM 815 CA GLU A 55 49.153 44.955 -33.478 1.00 0.00 C ATOM 816 C GLU A 55 50.180 43.852 -33.707 1.00 0.00 C ATOM 817 O GLU A 55 50.881 43.845 -34.720 1.00 0.00 O ATOM 818 CB GLU A 55 49.529 45.761 -32.234 1.00 0.00 C ATOM 819 CG GLU A 55 50.729 46.657 -32.549 1.00 0.00 C ATOM 820 CD GLU A 55 52.019 45.844 -32.496 1.00 0.00 C ATOM 821 OE1 GLU A 55 52.062 44.884 -31.745 1.00 0.00 O ATOM 822 OE2 GLU A 55 52.945 46.194 -33.209 1.00 0.00 O ATOM 0 H GLU A 55 47.439 44.445 -32.375 1.00 0.00 H new ATOM 0 HA GLU A 55 49.145 45.617 -34.344 1.00 0.00 H new ATOM 0 HB2 GLU A 55 48.683 46.368 -31.912 1.00 0.00 H new ATOM 0 HB3 GLU A 55 49.770 45.088 -31.411 1.00 0.00 H new ATOM 0 HG2 GLU A 55 50.611 47.102 -33.537 1.00 0.00 H new ATOM 0 HG3 GLU A 55 50.778 47.478 -31.833 1.00 0.00 H new ATOM 829 N VAL A 56 50.264 42.921 -32.763 1.00 0.00 N ATOM 830 CA VAL A 56 51.210 41.819 -32.880 1.00 0.00 C ATOM 831 C VAL A 56 50.944 41.028 -34.157 1.00 0.00 C ATOM 832 O VAL A 56 51.854 40.427 -34.727 1.00 0.00 O ATOM 833 CB VAL A 56 51.102 40.896 -31.664 1.00 0.00 C ATOM 834 CG1 VAL A 56 49.683 40.333 -31.566 1.00 0.00 C ATOM 835 CG2 VAL A 56 52.096 39.742 -31.812 1.00 0.00 C ATOM 0 H VAL A 56 49.695 42.907 -31.917 1.00 0.00 H new ATOM 0 HA VAL A 56 52.218 42.231 -32.923 1.00 0.00 H new ATOM 0 HB VAL A 56 51.329 41.463 -30.761 1.00 0.00 H new ATOM 0 HG11 VAL A 56 49.611 39.677 -30.699 1.00 0.00 H new ATOM 0 HG12 VAL A 56 48.973 41.153 -31.460 1.00 0.00 H new ATOM 0 HG13 VAL A 56 49.453 39.768 -32.469 1.00 0.00 H new ATOM 0 HG21 VAL A 56 52.020 39.084 -30.947 1.00 0.00 H new ATOM 0 HG22 VAL A 56 51.868 39.179 -32.717 1.00 0.00 H new ATOM 0 HG23 VAL A 56 53.109 40.140 -31.878 1.00 0.00 H new ATOM 845 N LEU A 57 49.689 41.036 -34.600 1.00 0.00 N ATOM 846 CA LEU A 57 49.320 40.316 -35.813 1.00 0.00 C ATOM 847 C LEU A 57 50.263 40.696 -36.948 1.00 0.00 C ATOM 848 O LEU A 57 50.818 39.834 -37.630 1.00 0.00 O ATOM 849 CB LEU A 57 47.880 40.654 -36.209 1.00 0.00 C ATOM 850 CG LEU A 57 47.004 39.409 -36.057 1.00 0.00 C ATOM 851 CD1 LEU A 57 46.697 39.176 -34.577 1.00 0.00 C ATOM 852 CD2 LEU A 57 45.694 39.613 -36.822 1.00 0.00 C ATOM 0 H LEU A 57 48.920 41.527 -34.143 1.00 0.00 H new ATOM 0 HA LEU A 57 49.396 39.245 -35.622 1.00 0.00 H new ATOM 0 HB2 LEU A 57 47.498 41.459 -35.581 1.00 0.00 H new ATOM 0 HB3 LEU A 57 47.849 41.010 -37.239 1.00 0.00 H new ATOM 0 HG LEU A 57 47.531 38.543 -36.458 1.00 0.00 H new ATOM 0 HD11 LEU A 57 46.073 38.289 -34.470 1.00 0.00 H new ATOM 0 HD12 LEU A 57 47.629 39.032 -34.030 1.00 0.00 H new ATOM 0 HD13 LEU A 57 46.170 40.041 -34.174 1.00 0.00 H new ATOM 0 HD21 LEU A 57 45.068 38.727 -36.715 1.00 0.00 H new ATOM 0 HD22 LEU A 57 45.169 40.479 -36.419 1.00 0.00 H new ATOM 0 HD23 LEU A 57 45.911 39.779 -37.877 1.00 0.00 H new ATOM 864 N LYS A 58 50.444 42.000 -37.130 1.00 0.00 N ATOM 865 CA LYS A 58 51.329 42.511 -38.171 1.00 0.00 C ATOM 866 C LYS A 58 52.761 42.043 -37.933 1.00 0.00 C ATOM 867 O LYS A 58 53.477 41.697 -38.872 1.00 0.00 O ATOM 868 CB LYS A 58 51.291 44.041 -38.176 1.00 0.00 C ATOM 869 CG LYS A 58 49.940 44.522 -38.712 1.00 0.00 C ATOM 870 CD LYS A 58 49.911 44.374 -40.235 1.00 0.00 C ATOM 871 CE LYS A 58 48.646 45.034 -40.787 1.00 0.00 C ATOM 872 NZ LYS A 58 47.454 44.228 -40.400 1.00 0.00 N ATOM 0 H LYS A 58 49.990 42.722 -36.571 1.00 0.00 H new ATOM 0 HA LYS A 58 50.987 42.130 -39.134 1.00 0.00 H new ATOM 0 HB2 LYS A 58 51.449 44.422 -37.167 1.00 0.00 H new ATOM 0 HB3 LYS A 58 52.099 44.432 -38.794 1.00 0.00 H new ATOM 0 HG2 LYS A 58 49.132 43.943 -38.265 1.00 0.00 H new ATOM 0 HG3 LYS A 58 49.777 45.563 -38.434 1.00 0.00 H new ATOM 0 HD2 LYS A 58 50.796 44.836 -40.673 1.00 0.00 H new ATOM 0 HD3 LYS A 58 49.933 43.319 -40.509 1.00 0.00 H new ATOM 0 HE2 LYS A 58 48.554 46.048 -40.399 1.00 0.00 H new ATOM 0 HE3 LYS A 58 48.708 45.112 -41.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 46.615 44.587 -40.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 47.610 43.232 -40.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 47.304 44.301 -39.373 1.00 0.00 H new ATOM 886 N ARG A 59 53.171 42.040 -36.668 1.00 0.00 N ATOM 887 CA ARG A 59 54.521 41.617 -36.310 1.00 0.00 C ATOM 888 C ARG A 59 54.766 40.168 -36.724 1.00 0.00 C ATOM 889 O ARG A 59 55.912 39.746 -36.876 1.00 0.00 O ATOM 890 CB ARG A 59 54.729 41.762 -34.801 1.00 0.00 C ATOM 891 CG ARG A 59 56.226 41.839 -34.494 1.00 0.00 C ATOM 892 CD ARG A 59 56.701 40.502 -33.924 1.00 0.00 C ATOM 893 NE ARG A 59 58.130 40.556 -33.632 1.00 0.00 N ATOM 894 CZ ARG A 59 58.786 39.505 -33.136 1.00 0.00 C ATOM 895 NH1 ARG A 59 58.163 38.380 -32.893 1.00 0.00 N ATOM 896 NH2 ARG A 59 60.064 39.601 -32.890 1.00 0.00 N ATOM 0 H ARG A 59 52.592 42.324 -35.878 1.00 0.00 H new ATOM 0 HA ARG A 59 55.230 42.253 -36.840 1.00 0.00 H new ATOM 0 HB2 ARG A 59 54.227 42.659 -34.439 1.00 0.00 H new ATOM 0 HB3 ARG A 59 54.284 40.915 -34.279 1.00 0.00 H new ATOM 0 HG2 ARG A 59 56.782 42.078 -35.401 1.00 0.00 H new ATOM 0 HG3 ARG A 59 56.421 42.640 -33.781 1.00 0.00 H new ATOM 0 HD2 ARG A 59 56.146 40.268 -33.016 1.00 0.00 H new ATOM 0 HD3 ARG A 59 56.498 39.702 -34.636 1.00 0.00 H new ATOM 0 HE ARG A 59 58.641 41.420 -33.812 1.00 0.00 H new ATOM 0 HH11 ARG A 59 57.164 38.299 -33.083 1.00 0.00 H new ATOM 0 HH12 ARG A 59 58.676 37.584 -32.514 1.00 0.00 H new ATOM 0 HH21 ARG A 59 60.555 40.475 -33.077 1.00 0.00 H new ATOM 0 HH22 ARG A 59 60.572 38.802 -32.511 1.00 0.00 H new ATOM 910 N GLU A 60 53.688 39.411 -36.904 1.00 0.00 N ATOM 911 CA GLU A 60 53.809 38.013 -37.298 1.00 0.00 C ATOM 912 C GLU A 60 53.170 37.784 -38.665 1.00 0.00 C ATOM 913 O GLU A 60 52.092 37.202 -38.768 1.00 0.00 O ATOM 914 CB GLU A 60 53.128 37.118 -36.260 1.00 0.00 C ATOM 915 CG GLU A 60 53.833 37.274 -34.911 1.00 0.00 C ATOM 916 CD GLU A 60 55.269 36.772 -35.013 1.00 0.00 C ATOM 917 OE1 GLU A 60 55.528 35.947 -35.875 1.00 0.00 O ATOM 918 OE2 GLU A 60 56.089 37.218 -34.228 1.00 0.00 O ATOM 0 H GLU A 60 52.730 39.739 -36.784 1.00 0.00 H new ATOM 0 HA GLU A 60 54.868 37.762 -37.357 1.00 0.00 H new ATOM 0 HB2 GLU A 60 52.076 37.387 -36.166 1.00 0.00 H new ATOM 0 HB3 GLU A 60 53.163 36.077 -36.582 1.00 0.00 H new ATOM 0 HG2 GLU A 60 53.826 38.320 -34.606 1.00 0.00 H new ATOM 0 HG3 GLU A 60 53.297 36.715 -34.144 1.00 0.00 H new ATOM 925 N PRO A 61 53.817 38.229 -39.707 1.00 0.00 N ATOM 926 CA PRO A 61 53.307 38.070 -41.101 1.00 0.00 C ATOM 927 C PRO A 61 53.310 36.611 -41.559 1.00 0.00 C ATOM 928 O PRO A 61 52.781 36.286 -42.623 1.00 0.00 O ATOM 929 CB PRO A 61 54.272 38.909 -41.943 1.00 0.00 C ATOM 930 CG PRO A 61 55.525 39.006 -41.139 1.00 0.00 C ATOM 931 CD PRO A 61 55.107 38.935 -39.671 1.00 0.00 C ATOM 0 HA PRO A 61 52.269 38.389 -41.191 1.00 0.00 H new ATOM 0 HB2 PRO A 61 54.461 38.439 -42.908 1.00 0.00 H new ATOM 0 HB3 PRO A 61 53.859 39.897 -42.145 1.00 0.00 H new ATOM 0 HG2 PRO A 61 56.209 38.194 -41.387 1.00 0.00 H new ATOM 0 HG3 PRO A 61 56.049 39.939 -41.348 1.00 0.00 H new ATOM 0 HD2 PRO A 61 55.841 38.396 -39.072 1.00 0.00 H new ATOM 0 HD3 PRO A 61 55.007 39.929 -39.235 1.00 0.00 H new ATOM 939 N LEU A 62 53.912 35.735 -40.757 1.00 0.00 N ATOM 940 CA LEU A 62 53.979 34.320 -41.099 1.00 0.00 C ATOM 941 C LEU A 62 52.579 33.732 -41.246 1.00 0.00 C ATOM 942 O LEU A 62 52.319 32.945 -42.155 1.00 0.00 O ATOM 943 CB LEU A 62 54.740 33.558 -40.012 1.00 0.00 C ATOM 944 CG LEU A 62 55.016 32.132 -40.488 1.00 0.00 C ATOM 945 CD1 LEU A 62 56.399 31.690 -40.004 1.00 0.00 C ATOM 946 CD2 LEU A 62 53.953 31.190 -39.918 1.00 0.00 C ATOM 0 H LEU A 62 54.357 35.980 -39.872 1.00 0.00 H new ATOM 0 HA LEU A 62 54.502 34.222 -42.050 1.00 0.00 H new ATOM 0 HB2 LEU A 62 55.678 34.065 -39.786 1.00 0.00 H new ATOM 0 HB3 LEU A 62 54.158 33.539 -39.091 1.00 0.00 H new ATOM 0 HG LEU A 62 54.985 32.101 -41.577 1.00 0.00 H new ATOM 0 HD11 LEU A 62 56.595 30.673 -40.344 1.00 0.00 H new ATOM 0 HD12 LEU A 62 57.157 32.360 -40.408 1.00 0.00 H new ATOM 0 HD13 LEU A 62 56.430 31.721 -38.915 1.00 0.00 H new ATOM 0 HD21 LEU A 62 54.149 30.173 -40.257 1.00 0.00 H new ATOM 0 HD22 LEU A 62 53.985 31.222 -38.829 1.00 0.00 H new ATOM 0 HD23 LEU A 62 52.967 31.503 -40.262 1.00 0.00 H new ATOM 958 N ASN A 63 51.682 34.119 -40.344 1.00 0.00 N ATOM 959 CA ASN A 63 50.312 33.621 -40.385 1.00 0.00 C ATOM 960 C ASN A 63 49.548 34.236 -41.554 1.00 0.00 C ATOM 961 O ASN A 63 48.571 33.663 -42.037 1.00 0.00 O ATOM 962 CB ASN A 63 49.590 33.942 -39.072 1.00 0.00 C ATOM 963 CG ASN A 63 49.881 35.375 -38.643 1.00 0.00 C ATOM 964 OD1 ASN A 63 49.421 36.368 -39.355 1.00 0.00 O flip ATOM 965 ND2 ASN A 63 50.542 35.596 -37.628 1.00 0.00 N flip ATOM 0 H ASN A 63 51.877 34.770 -39.583 1.00 0.00 H new ATOM 0 HA ASN A 63 50.349 32.540 -40.520 1.00 0.00 H new ATOM 0 HB2 ASN A 63 48.516 33.804 -39.197 1.00 0.00 H new ATOM 0 HB3 ASN A 63 49.912 33.250 -38.294 1.00 0.00 H new ATOM 0 HD21 ASN A 63 50.900 34.819 -37.073 1.00 0.00 H new ATOM 0 HD22 ASN A 63 50.731 36.557 -37.342 1.00 0.00 H new ATOM 972 N TYR A 64 49.997 35.403 -42.004 1.00 0.00 N ATOM 973 CA TYR A 64 49.342 36.081 -43.118 1.00 0.00 C ATOM 974 C TYR A 64 49.679 35.390 -44.435 1.00 0.00 C ATOM 975 O TYR A 64 48.846 35.306 -45.337 1.00 0.00 O ATOM 976 CB TYR A 64 49.787 37.543 -43.176 1.00 0.00 C ATOM 977 CG TYR A 64 49.033 38.256 -44.272 1.00 0.00 C ATOM 978 CD1 TYR A 64 47.724 38.701 -44.047 1.00 0.00 C ATOM 979 CD2 TYR A 64 49.642 38.473 -45.514 1.00 0.00 C ATOM 980 CE1 TYR A 64 47.025 39.362 -45.064 1.00 0.00 C ATOM 981 CE2 TYR A 64 48.943 39.134 -46.531 1.00 0.00 C ATOM 982 CZ TYR A 64 47.634 39.578 -46.306 1.00 0.00 C ATOM 983 OH TYR A 64 46.945 40.230 -47.308 1.00 0.00 O ATOM 0 H TYR A 64 50.803 35.895 -41.620 1.00 0.00 H new ATOM 0 HA TYR A 64 48.264 36.038 -42.963 1.00 0.00 H new ATOM 0 HB2 TYR A 64 49.602 38.029 -42.218 1.00 0.00 H new ATOM 0 HB3 TYR A 64 50.860 37.601 -43.361 1.00 0.00 H new ATOM 0 HD1 TYR A 64 47.254 38.534 -43.089 1.00 0.00 H new ATOM 0 HD2 TYR A 64 50.651 38.130 -45.687 1.00 0.00 H new ATOM 0 HE1 TYR A 64 46.016 39.705 -44.890 1.00 0.00 H new ATOM 0 HE2 TYR A 64 49.413 39.301 -47.489 1.00 0.00 H new ATOM 0 HH TYR A 64 47.512 40.298 -48.104 1.00 0.00 H new ATOM 993 N LEU A 65 50.910 34.897 -44.535 1.00 0.00 N ATOM 994 CA LEU A 65 51.356 34.214 -45.744 1.00 0.00 C ATOM 995 C LEU A 65 50.690 32.842 -45.855 1.00 0.00 C ATOM 996 O LEU A 65 50.221 32.293 -44.858 1.00 0.00 O ATOM 997 CB LEU A 65 52.878 34.046 -45.712 1.00 0.00 C ATOM 998 CG LEU A 65 53.547 35.421 -45.773 1.00 0.00 C ATOM 999 CD1 LEU A 65 55.040 35.274 -45.470 1.00 0.00 C ATOM 1000 CD2 LEU A 65 53.368 36.016 -47.173 1.00 0.00 C ATOM 0 H LEU A 65 51.612 34.957 -43.798 1.00 0.00 H new ATOM 0 HA LEU A 65 51.075 34.814 -46.610 1.00 0.00 H new ATOM 0 HB2 LEU A 65 53.178 33.525 -44.803 1.00 0.00 H new ATOM 0 HB3 LEU A 65 53.204 33.434 -46.553 1.00 0.00 H new ATOM 0 HG LEU A 65 53.088 36.081 -45.037 1.00 0.00 H new ATOM 0 HD11 LEU A 65 55.518 36.253 -45.513 1.00 0.00 H new ATOM 0 HD12 LEU A 65 55.169 34.851 -44.474 1.00 0.00 H new ATOM 0 HD13 LEU A 65 55.498 34.614 -46.207 1.00 0.00 H new ATOM 0 HD21 LEU A 65 53.845 36.995 -47.216 1.00 0.00 H new ATOM 0 HD22 LEU A 65 53.827 35.357 -47.910 1.00 0.00 H new ATOM 0 HD23 LEU A 65 52.305 36.120 -47.391 1.00 0.00 H new ATOM 1012 N PRO A 66 50.636 32.279 -47.038 1.00 0.00 N ATOM 1013 CA PRO A 66 50.008 30.942 -47.260 1.00 0.00 C ATOM 1014 C PRO A 66 50.577 29.878 -46.325 1.00 0.00 C ATOM 1015 O PRO A 66 51.779 29.851 -46.058 1.00 0.00 O ATOM 1016 CB PRO A 66 50.339 30.615 -48.719 1.00 0.00 C ATOM 1017 CG PRO A 66 50.596 31.931 -49.373 1.00 0.00 C ATOM 1018 CD PRO A 66 51.163 32.847 -48.291 1.00 0.00 C ATOM 0 HA PRO A 66 48.937 30.958 -47.057 1.00 0.00 H new ATOM 0 HB2 PRO A 66 51.212 29.965 -48.788 1.00 0.00 H new ATOM 0 HB3 PRO A 66 49.513 30.092 -49.201 1.00 0.00 H new ATOM 0 HG2 PRO A 66 51.300 31.824 -50.199 1.00 0.00 H new ATOM 0 HG3 PRO A 66 49.677 32.344 -49.789 1.00 0.00 H new ATOM 0 HD2 PRO A 66 52.253 32.851 -48.301 1.00 0.00 H new ATOM 0 HD3 PRO A 66 50.839 33.878 -48.430 1.00 0.00 H new