USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=16 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 Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HE2:sc= -0.337 K(o=-0.34,f=-1.6) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.122) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.273 K(o=-0.27,f=-1.4!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc=-0.00926 K(o=-0.0093,f=-1.8!) USER MOD Single : A 25 ASN : amide:sc= -0.0558 K(o=-0.056,f=-1.9!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 30 SER OG : rot -51:sc= 1.13 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.616 K(o=-0.62,f=-9!) USER MOD Single : A 33 ASN : amide:sc= -0.0204 X(o=-0.02,f=0) 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= -0.735 K(o=-0.74,f=-5!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.651 K(o=-0.65,f=-5.4!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -152:sc= -0.172 (180deg=-1.05) USER MOD Single : A 52 ASN : amide:sc= -0.0881 X(o=-0.088,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.138) USER MOD Single : A 63 ASN : amide:sc= -1.76 K(o=-1.8,f=-8!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 -0.073 0.582 1.810 1.00 0.00 N ATOM 32 CA ILE A 3 0.377 1.609 0.878 1.00 0.00 C ATOM 33 C ILE A 3 1.888 1.532 0.684 1.00 0.00 C ATOM 34 O ILE A 3 2.640 1.381 1.647 1.00 0.00 O ATOM 35 CB ILE A 3 -0.002 2.995 1.404 1.00 0.00 C ATOM 36 CG1 ILE A 3 0.322 4.051 0.343 1.00 0.00 C ATOM 37 CG2 ILE A 3 0.794 3.293 2.676 1.00 0.00 C ATOM 38 CD1 ILE A 3 -0.657 3.923 -0.827 1.00 0.00 C ATOM 0 HA ILE A 3 -0.110 1.440 -0.082 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.069 3.018 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.257 5.049 0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.345 3.923 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.524 4.280 3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.565 2.542 3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.860 3.269 2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.424 4.676 -1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.570 2.930 -1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.675 4.072 -0.468 1.00 0.00 H new ATOM 50 N GLU A 4 2.325 1.638 -0.566 1.00 0.00 N ATOM 51 CA GLU A 4 3.749 1.579 -0.874 1.00 0.00 C ATOM 52 C GLU A 4 4.451 2.849 -0.402 1.00 0.00 C ATOM 53 O GLU A 4 3.868 3.933 -0.414 1.00 0.00 O ATOM 54 CB GLU A 4 3.951 1.412 -2.381 1.00 0.00 C ATOM 55 CG GLU A 4 3.414 2.647 -3.109 1.00 0.00 C ATOM 56 CD GLU A 4 3.549 2.464 -4.616 1.00 0.00 C ATOM 57 OE1 GLU A 4 4.049 1.429 -5.025 1.00 0.00 O ATOM 58 OE2 GLU A 4 3.150 3.361 -5.340 1.00 0.00 O ATOM 0 H GLU A 4 1.719 1.764 -1.377 1.00 0.00 H new ATOM 0 HA GLU A 4 4.180 0.724 -0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.009 1.277 -2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.435 0.518 -2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.368 2.808 -2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.963 3.534 -2.791 1.00 0.00 H new ATOM 65 N SER A 5 5.705 2.706 0.015 1.00 0.00 N ATOM 66 CA SER A 5 6.477 3.849 0.490 1.00 0.00 C ATOM 67 C SER A 5 6.867 4.754 -0.674 1.00 0.00 C ATOM 68 O SER A 5 6.837 4.339 -1.833 1.00 0.00 O ATOM 69 CB SER A 5 7.737 3.364 1.207 1.00 0.00 C ATOM 70 OG SER A 5 8.624 2.787 0.259 1.00 0.00 O ATOM 0 H SER A 5 6.205 1.817 0.034 1.00 0.00 H new ATOM 0 HA SER A 5 5.859 4.418 1.185 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.222 4.196 1.717 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.476 2.631 1.971 1.00 0.00 H new ATOM 0 HG SER A 5 9.434 2.477 0.715 1.00 0.00 H new ATOM 76 N HIS A 6 7.234 5.992 -0.358 1.00 0.00 N ATOM 77 CA HIS A 6 7.629 6.947 -1.387 1.00 0.00 C ATOM 78 C HIS A 6 9.138 7.176 -1.361 1.00 0.00 C ATOM 79 O HIS A 6 9.624 8.214 -1.809 1.00 0.00 O ATOM 80 CB HIS A 6 6.905 8.277 -1.169 1.00 0.00 C ATOM 81 CG HIS A 6 7.244 8.816 0.193 1.00 0.00 C ATOM 82 ND1 HIS A 6 8.399 9.544 0.434 1.00 0.00 N ATOM 83 CD2 HIS A 6 6.590 8.743 1.398 1.00 0.00 C ATOM 84 CE1 HIS A 6 8.405 9.876 1.738 1.00 0.00 C ATOM 85 NE2 HIS A 6 7.325 9.413 2.372 1.00 0.00 N ATOM 0 H HIS A 6 7.266 6.355 0.595 1.00 0.00 H new ATOM 0 HA HIS A 6 7.354 6.537 -2.359 1.00 0.00 H new ATOM 0 HB2 HIS A 6 7.197 8.992 -1.938 1.00 0.00 H new ATOM 0 HB3 HIS A 6 5.828 8.136 -1.258 1.00 0.00 H new ATOM 0 HD1 HIS A 6 9.114 9.784 -0.252 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.648 8.242 1.565 1.00 0.00 H new ATOM 0 HE1 HIS A 6 9.188 10.447 2.214 1.00 0.00 H new ATOM 94 N GLN A 7 9.874 6.202 -0.834 1.00 0.00 N ATOM 95 CA GLN A 7 11.326 6.313 -0.757 1.00 0.00 C ATOM 96 C GLN A 7 11.956 6.035 -2.118 1.00 0.00 C ATOM 97 O GLN A 7 11.649 5.031 -2.761 1.00 0.00 O ATOM 98 CB GLN A 7 11.872 5.321 0.272 1.00 0.00 C ATOM 99 CG GLN A 7 13.359 5.591 0.504 1.00 0.00 C ATOM 100 CD GLN A 7 13.912 4.610 1.532 1.00 0.00 C ATOM 101 OE1 GLN A 7 13.891 3.399 1.309 1.00 0.00 O ATOM 102 NE2 GLN A 7 14.406 5.061 2.652 1.00 0.00 N ATOM 0 H GLN A 7 9.493 5.334 -0.457 1.00 0.00 H new ATOM 0 HA GLN A 7 11.579 7.328 -0.452 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.324 5.415 1.210 1.00 0.00 H new ATOM 0 HB3 GLN A 7 11.728 4.300 -0.080 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.905 5.494 -0.434 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.502 6.614 0.852 1.00 0.00 H new ATOM 0 HE21 GLN A 7 14.422 6.064 2.835 1.00 0.00 H new ATOM 0 HE22 GLN A 7 14.776 4.410 3.345 1.00 0.00 H new ATOM 111 N VAL A 8 12.837 6.930 -2.553 1.00 0.00 N ATOM 112 CA VAL A 8 13.501 6.769 -3.841 1.00 0.00 C ATOM 113 C VAL A 8 14.972 7.162 -3.742 1.00 0.00 C ATOM 114 O VAL A 8 15.318 8.153 -3.098 1.00 0.00 O ATOM 115 CB VAL A 8 12.810 7.635 -4.895 1.00 0.00 C ATOM 116 CG1 VAL A 8 12.877 9.104 -4.473 1.00 0.00 C ATOM 117 CG2 VAL A 8 13.518 7.460 -6.241 1.00 0.00 C ATOM 0 H VAL A 8 13.106 7.768 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 8 13.437 5.720 -4.132 1.00 0.00 H new ATOM 0 HB VAL A 8 11.767 7.331 -4.988 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.384 9.721 -5.224 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.375 9.230 -3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.919 9.409 -4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.027 8.077 -6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.560 7.765 -6.146 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.472 6.414 -6.543 1.00 0.00 H new ATOM 127 N GLU A 9 15.833 6.378 -4.384 1.00 0.00 N ATOM 128 CA GLU A 9 17.265 6.654 -4.363 1.00 0.00 C ATOM 129 C GLU A 9 17.923 6.168 -5.651 1.00 0.00 C ATOM 130 O GLU A 9 17.377 5.319 -6.355 1.00 0.00 O ATOM 131 CB GLU A 9 17.916 5.964 -3.160 1.00 0.00 C ATOM 132 CG GLU A 9 17.173 4.663 -2.841 1.00 0.00 C ATOM 133 CD GLU A 9 17.072 3.796 -4.092 1.00 0.00 C ATOM 134 OE1 GLU A 9 18.098 3.556 -4.707 1.00 0.00 O ATOM 135 OE2 GLU A 9 15.970 3.386 -4.417 1.00 0.00 O ATOM 0 H GLU A 9 15.567 5.553 -4.921 1.00 0.00 H new ATOM 0 HA GLU A 9 17.406 7.732 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.963 5.752 -3.374 1.00 0.00 H new ATOM 0 HB3 GLU A 9 17.896 6.626 -2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.696 4.120 -2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.175 4.888 -2.464 1.00 0.00 H new ATOM 142 N LYS A 10 19.096 6.713 -5.955 1.00 0.00 N ATOM 143 CA LYS A 10 19.816 6.326 -7.163 1.00 0.00 C ATOM 144 C LYS A 10 21.310 6.196 -6.881 1.00 0.00 C ATOM 145 O LYS A 10 21.855 6.900 -6.031 1.00 0.00 O ATOM 146 CB LYS A 10 19.590 7.367 -8.260 1.00 0.00 C ATOM 147 CG LYS A 10 19.780 8.770 -7.680 1.00 0.00 C ATOM 148 CD LYS A 10 18.420 9.343 -7.276 1.00 0.00 C ATOM 149 CE LYS A 10 18.572 10.157 -5.989 1.00 0.00 C ATOM 150 NZ LYS A 10 17.259 10.761 -5.626 1.00 0.00 N ATOM 0 H LYS A 10 19.565 7.418 -5.387 1.00 0.00 H new ATOM 0 HA LYS A 10 19.437 5.359 -7.495 1.00 0.00 H new ATOM 0 HB2 LYS A 10 20.289 7.204 -9.080 1.00 0.00 H new ATOM 0 HB3 LYS A 10 18.586 7.265 -8.671 1.00 0.00 H new ATOM 0 HG2 LYS A 10 20.442 8.731 -6.815 1.00 0.00 H new ATOM 0 HG3 LYS A 10 20.256 9.418 -8.416 1.00 0.00 H new ATOM 0 HD2 LYS A 10 18.028 9.974 -8.074 1.00 0.00 H new ATOM 0 HD3 LYS A 10 17.703 8.536 -7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 10 18.926 9.517 -5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 10 19.319 10.939 -6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 17.361 11.314 -4.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 16.939 11.384 -6.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.559 10.006 -5.478 1.00 0.00 H new ATOM 164 N ARG A 11 21.967 5.293 -7.602 1.00 0.00 N ATOM 165 CA ARG A 11 23.399 5.080 -7.424 1.00 0.00 C ATOM 166 C ARG A 11 24.057 4.735 -8.758 1.00 0.00 C ATOM 167 O ARG A 11 24.593 3.643 -8.937 1.00 0.00 O ATOM 168 CB ARG A 11 23.680 3.964 -6.393 1.00 0.00 C ATOM 169 CG ARG A 11 22.564 2.900 -6.373 1.00 0.00 C ATOM 170 CD ARG A 11 22.679 1.991 -7.601 1.00 0.00 C ATOM 171 NE ARG A 11 21.996 2.586 -8.745 1.00 0.00 N ATOM 172 CZ ARG A 11 20.670 2.516 -8.887 1.00 0.00 C ATOM 173 NH1 ARG A 11 19.931 1.910 -7.993 1.00 0.00 N ATOM 174 NH2 ARG A 11 20.104 3.059 -9.930 1.00 0.00 N ATOM 0 H ARG A 11 21.534 4.701 -8.311 1.00 0.00 H new ATOM 0 HA ARG A 11 23.826 6.008 -7.044 1.00 0.00 H new ATOM 0 HB2 ARG A 11 24.632 3.487 -6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 11 23.779 4.404 -5.401 1.00 0.00 H new ATOM 0 HG2 ARG A 11 22.635 2.305 -5.463 1.00 0.00 H new ATOM 0 HG3 ARG A 11 21.588 3.386 -6.361 1.00 0.00 H new ATOM 0 HD2 ARG A 11 23.729 1.827 -7.842 1.00 0.00 H new ATOM 0 HD3 ARG A 11 22.247 1.015 -7.380 1.00 0.00 H new ATOM 0 HE ARG A 11 22.546 3.068 -9.455 1.00 0.00 H new ATOM 0 HH11 ARG A 11 20.367 1.484 -7.175 1.00 0.00 H new ATOM 0 HH12 ARG A 11 18.919 1.864 -8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 11 20.674 3.533 -10.631 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.092 3.009 -10.045 1.00 0.00 H new ATOM 188 N LYS A 12 24.011 5.679 -9.692 1.00 0.00 N ATOM 189 CA LYS A 12 24.603 5.466 -11.008 1.00 0.00 C ATOM 190 C LYS A 12 26.071 5.881 -11.016 1.00 0.00 C ATOM 191 O LYS A 12 26.448 6.850 -10.356 1.00 0.00 O ATOM 192 CB LYS A 12 23.838 6.273 -12.059 1.00 0.00 C ATOM 193 CG LYS A 12 24.010 7.768 -11.784 1.00 0.00 C ATOM 194 CD LYS A 12 23.180 8.571 -12.787 1.00 0.00 C ATOM 195 CE LYS A 12 23.279 10.063 -12.458 1.00 0.00 C ATOM 196 NZ LYS A 12 24.644 10.559 -12.791 1.00 0.00 N ATOM 0 H LYS A 12 23.574 6.592 -9.564 1.00 0.00 H new ATOM 0 HA LYS A 12 24.540 4.404 -11.244 1.00 0.00 H new ATOM 0 HB2 LYS A 12 24.206 6.032 -13.056 1.00 0.00 H new ATOM 0 HB3 LYS A 12 22.781 6.008 -12.037 1.00 0.00 H new ATOM 0 HG2 LYS A 12 23.695 8.000 -10.767 1.00 0.00 H new ATOM 0 HG3 LYS A 12 25.061 8.044 -11.862 1.00 0.00 H new ATOM 0 HD2 LYS A 12 23.538 8.387 -13.800 1.00 0.00 H new ATOM 0 HD3 LYS A 12 22.139 8.249 -12.753 1.00 0.00 H new ATOM 0 HE2 LYS A 12 22.531 10.620 -13.022 1.00 0.00 H new ATOM 0 HE3 LYS A 12 23.069 10.227 -11.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 24.661 11.597 -12.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 25.331 10.161 -12.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 24.894 10.266 -13.757 1.00 0.00 H new ATOM 210 N CYS A 13 26.877 5.135 -11.782 1.00 0.00 N ATOM 211 CA CYS A 13 28.318 5.391 -11.913 1.00 0.00 C ATOM 212 C CYS A 13 28.923 5.970 -10.636 1.00 0.00 C ATOM 213 O CYS A 13 29.067 7.186 -10.503 1.00 0.00 O ATOM 214 CB CYS A 13 28.565 6.359 -13.070 1.00 0.00 C ATOM 215 SG CYS A 13 30.302 6.272 -13.570 1.00 0.00 S ATOM 0 H CYS A 13 26.550 4.338 -12.328 1.00 0.00 H new ATOM 0 HA CYS A 13 28.801 4.433 -12.106 1.00 0.00 H new ATOM 0 HB2 CYS A 13 27.920 6.108 -13.912 1.00 0.00 H new ATOM 0 HB3 CYS A 13 28.313 7.375 -12.768 1.00 0.00 H new ATOM 0 HG CYS A 13 30.512 7.094 -14.555 1.00 0.00 H new ATOM 220 N ASN A 14 29.276 5.093 -9.703 1.00 0.00 N ATOM 221 CA ASN A 14 29.867 5.529 -8.442 1.00 0.00 C ATOM 222 C ASN A 14 31.241 4.894 -8.252 1.00 0.00 C ATOM 223 O ASN A 14 31.669 4.642 -7.126 1.00 0.00 O ATOM 224 CB ASN A 14 28.958 5.144 -7.271 1.00 0.00 C ATOM 225 CG ASN A 14 29.303 5.987 -6.048 1.00 0.00 C ATOM 226 OD1 ASN A 14 29.610 7.172 -6.176 1.00 0.00 O ATOM 227 ND2 ASN A 14 29.271 5.443 -4.862 1.00 0.00 N ATOM 0 H ASN A 14 29.165 4.083 -9.794 1.00 0.00 H new ATOM 0 HA ASN A 14 29.977 6.613 -8.470 1.00 0.00 H new ATOM 0 HB2 ASN A 14 27.914 5.295 -7.545 1.00 0.00 H new ATOM 0 HB3 ASN A 14 29.077 4.086 -7.039 1.00 0.00 H new ATOM 0 HD21 ASN A 14 29.501 6.000 -4.039 1.00 0.00 H new ATOM 0 HD22 ASN A 14 29.016 4.461 -4.758 1.00 0.00 H new ATOM 234 N THR A 15 31.927 4.638 -9.362 1.00 0.00 N ATOM 235 CA THR A 15 33.252 4.032 -9.307 1.00 0.00 C ATOM 236 C THR A 15 34.337 5.104 -9.404 1.00 0.00 C ATOM 237 O THR A 15 34.039 6.297 -9.466 1.00 0.00 O ATOM 238 CB THR A 15 33.407 3.019 -10.449 1.00 0.00 C ATOM 239 OG1 THR A 15 34.678 2.391 -10.362 1.00 0.00 O ATOM 240 CG2 THR A 15 33.277 3.731 -11.798 1.00 0.00 C ATOM 0 H THR A 15 31.590 4.839 -10.303 1.00 0.00 H new ATOM 0 HA THR A 15 33.362 3.516 -8.353 1.00 0.00 H new ATOM 0 HB THR A 15 32.624 2.265 -10.365 1.00 0.00 H new ATOM 0 HG1 THR A 15 34.774 1.743 -11.091 1.00 0.00 H new ATOM 0 HG21 THR A 15 33.388 3.006 -12.604 1.00 0.00 H new ATOM 0 HG22 THR A 15 32.297 4.203 -11.867 1.00 0.00 H new ATOM 0 HG23 THR A 15 34.053 4.491 -11.884 1.00 0.00 H new ATOM 306 N GLN A 21 36.105 11.637 -14.798 1.00 0.00 N ATOM 307 CA GLN A 21 35.221 12.469 -15.607 1.00 0.00 C ATOM 308 C GLN A 21 35.081 13.862 -14.995 1.00 0.00 C ATOM 309 O GLN A 21 34.849 14.839 -15.709 1.00 0.00 O ATOM 310 CB GLN A 21 33.844 11.803 -15.739 1.00 0.00 C ATOM 311 CG GLN A 21 32.823 12.500 -14.834 1.00 0.00 C ATOM 312 CD GLN A 21 31.535 11.685 -14.783 1.00 0.00 C ATOM 313 OE1 GLN A 21 31.503 10.545 -15.248 1.00 0.00 O ATOM 314 NE2 GLN A 21 30.466 12.203 -14.243 1.00 0.00 N ATOM 0 HA GLN A 21 35.658 12.575 -16.600 1.00 0.00 H new ATOM 0 HB2 GLN A 21 33.510 11.847 -16.776 1.00 0.00 H new ATOM 0 HB3 GLN A 21 33.916 10.749 -15.472 1.00 0.00 H new ATOM 0 HG2 GLN A 21 33.232 12.614 -13.830 1.00 0.00 H new ATOM 0 HG3 GLN A 21 32.615 13.502 -15.209 1.00 0.00 H new ATOM 0 HE21 GLN A 21 30.495 13.147 -13.859 1.00 0.00 H new ATOM 0 HE22 GLN A 21 29.601 11.664 -14.205 1.00 0.00 H new ATOM 323 N ARG A 22 35.222 13.954 -13.674 1.00 0.00 N ATOM 324 CA ARG A 22 35.105 15.245 -13.002 1.00 0.00 C ATOM 325 C ARG A 22 36.372 16.072 -13.209 1.00 0.00 C ATOM 326 O ARG A 22 36.341 17.300 -13.134 1.00 0.00 O ATOM 327 CB ARG A 22 34.807 15.045 -11.504 1.00 0.00 C ATOM 328 CG ARG A 22 36.097 15.029 -10.667 1.00 0.00 C ATOM 329 CD ARG A 22 36.427 16.448 -10.195 1.00 0.00 C ATOM 330 NE ARG A 22 36.286 16.542 -8.745 1.00 0.00 N ATOM 331 CZ ARG A 22 37.203 16.041 -7.916 1.00 0.00 C ATOM 332 NH1 ARG A 22 38.271 15.443 -8.381 1.00 0.00 N ATOM 333 NH2 ARG A 22 37.034 16.149 -6.627 1.00 0.00 N ATOM 0 H ARG A 22 35.414 13.165 -13.057 1.00 0.00 H new ATOM 0 HA ARG A 22 34.272 15.795 -13.440 1.00 0.00 H new ATOM 0 HB2 ARG A 22 34.154 15.844 -11.152 1.00 0.00 H new ATOM 0 HB3 ARG A 22 34.269 14.108 -11.362 1.00 0.00 H new ATOM 0 HG2 ARG A 22 35.976 14.369 -9.808 1.00 0.00 H new ATOM 0 HG3 ARG A 22 36.921 14.632 -11.260 1.00 0.00 H new ATOM 0 HD2 ARG A 22 37.444 16.709 -10.487 1.00 0.00 H new ATOM 0 HD3 ARG A 22 35.763 17.164 -10.680 1.00 0.00 H new ATOM 0 HE ARG A 22 35.464 17.003 -8.355 1.00 0.00 H new ATOM 0 HH11 ARG A 22 38.409 15.356 -9.388 1.00 0.00 H new ATOM 0 HH12 ARG A 22 38.965 15.064 -7.736 1.00 0.00 H new ATOM 0 HH21 ARG A 22 36.204 16.614 -6.259 1.00 0.00 H new ATOM 0 HH22 ARG A 22 37.731 15.768 -5.988 1.00 0.00 H new ATOM 347 N LEU A 23 37.485 15.392 -13.475 1.00 0.00 N ATOM 348 CA LEU A 23 38.751 16.081 -13.698 1.00 0.00 C ATOM 349 C LEU A 23 38.628 17.016 -14.895 1.00 0.00 C ATOM 350 O LEU A 23 39.111 18.148 -14.865 1.00 0.00 O ATOM 351 CB LEU A 23 39.869 15.063 -13.947 1.00 0.00 C ATOM 352 CG LEU A 23 41.204 15.790 -14.136 1.00 0.00 C ATOM 353 CD1 LEU A 23 41.601 16.488 -12.833 1.00 0.00 C ATOM 354 CD2 LEU A 23 42.284 14.774 -14.517 1.00 0.00 C ATOM 0 H LEU A 23 37.535 14.375 -13.541 1.00 0.00 H new ATOM 0 HA LEU A 23 38.996 16.665 -12.811 1.00 0.00 H new ATOM 0 HB2 LEU A 23 39.937 14.372 -13.107 1.00 0.00 H new ATOM 0 HB3 LEU A 23 39.641 14.468 -14.831 1.00 0.00 H new ATOM 0 HG LEU A 23 41.102 16.533 -14.927 1.00 0.00 H new ATOM 0 HD11 LEU A 23 42.551 17.004 -12.971 1.00 0.00 H new ATOM 0 HD12 LEU A 23 40.832 17.210 -12.558 1.00 0.00 H new ATOM 0 HD13 LEU A 23 41.703 15.747 -12.040 1.00 0.00 H new ATOM 0 HD21 LEU A 23 43.236 15.288 -14.652 1.00 0.00 H new ATOM 0 HD22 LEU A 23 42.382 14.032 -13.724 1.00 0.00 H new ATOM 0 HD23 LEU A 23 42.005 14.277 -15.446 1.00 0.00 H new ATOM 366 N ALA A 24 37.966 16.536 -15.943 1.00 0.00 N ATOM 367 CA ALA A 24 37.770 17.341 -17.142 1.00 0.00 C ATOM 368 C ALA A 24 36.885 18.541 -16.826 1.00 0.00 C ATOM 369 O ALA A 24 37.117 19.647 -17.315 1.00 0.00 O ATOM 370 CB ALA A 24 37.120 16.497 -18.240 1.00 0.00 C ATOM 0 H ALA A 24 37.559 15.602 -15.986 1.00 0.00 H new ATOM 0 HA ALA A 24 38.741 17.694 -17.490 1.00 0.00 H new ATOM 0 HB1 ALA A 24 36.978 17.107 -19.132 1.00 0.00 H new ATOM 0 HB2 ALA A 24 37.765 15.651 -18.478 1.00 0.00 H new ATOM 0 HB3 ALA A 24 36.154 16.130 -17.893 1.00 0.00 H new ATOM 376 N ASN A 25 35.871 18.311 -15.997 1.00 0.00 N ATOM 377 CA ASN A 25 34.954 19.376 -15.610 1.00 0.00 C ATOM 378 C ASN A 25 35.698 20.457 -14.832 1.00 0.00 C ATOM 379 O ASN A 25 35.331 21.630 -14.874 1.00 0.00 O ATOM 380 CB ASN A 25 33.827 18.807 -14.748 1.00 0.00 C ATOM 381 CG ASN A 25 32.886 17.967 -15.605 1.00 0.00 C ATOM 382 OD1 ASN A 25 32.838 18.136 -16.824 1.00 0.00 O ATOM 383 ND2 ASN A 25 32.132 17.066 -15.038 1.00 0.00 N ATOM 0 H ASN A 25 35.665 17.402 -15.583 1.00 0.00 H new ATOM 0 HA ASN A 25 34.530 19.816 -16.513 1.00 0.00 H new ATOM 0 HB2 ASN A 25 34.244 18.197 -13.947 1.00 0.00 H new ATOM 0 HB3 ASN A 25 33.274 19.619 -14.276 1.00 0.00 H new ATOM 0 HD21 ASN A 25 31.501 16.499 -15.604 1.00 0.00 H new ATOM 0 HD22 ASN A 25 32.174 16.928 -14.028 1.00 0.00 H new ATOM 390 N PHE A 26 36.747 20.050 -14.125 1.00 0.00 N ATOM 391 CA PHE A 26 37.543 20.988 -13.342 1.00 0.00 C ATOM 392 C PHE A 26 38.241 21.994 -14.253 1.00 0.00 C ATOM 393 O PHE A 26 38.412 23.158 -13.891 1.00 0.00 O ATOM 394 CB PHE A 26 38.587 20.230 -12.520 1.00 0.00 C ATOM 395 CG PHE A 26 39.345 21.202 -11.648 1.00 0.00 C ATOM 396 CD1 PHE A 26 38.776 21.663 -10.455 1.00 0.00 C ATOM 397 CD2 PHE A 26 40.617 21.643 -12.033 1.00 0.00 C ATOM 398 CE1 PHE A 26 39.479 22.563 -9.646 1.00 0.00 C ATOM 399 CE2 PHE A 26 41.320 22.544 -11.225 1.00 0.00 C ATOM 400 CZ PHE A 26 40.751 23.004 -10.031 1.00 0.00 C ATOM 0 H PHE A 26 37.065 19.082 -14.078 1.00 0.00 H new ATOM 0 HA PHE A 26 36.875 21.528 -12.671 1.00 0.00 H new ATOM 0 HB2 PHE A 26 38.101 19.474 -11.903 1.00 0.00 H new ATOM 0 HB3 PHE A 26 39.276 19.706 -13.182 1.00 0.00 H new ATOM 0 HD1 PHE A 26 37.794 21.324 -10.159 1.00 0.00 H new ATOM 0 HD2 PHE A 26 41.056 21.288 -12.954 1.00 0.00 H new ATOM 0 HE1 PHE A 26 39.040 22.917 -8.725 1.00 0.00 H new ATOM 0 HE2 PHE A 26 42.301 22.884 -11.522 1.00 0.00 H new ATOM 0 HZ PHE A 26 41.293 23.699 -9.407 1.00 0.00 H new ATOM 410 N LEU A 27 38.647 21.538 -15.434 1.00 0.00 N ATOM 411 CA LEU A 27 39.330 22.408 -16.385 1.00 0.00 C ATOM 412 C LEU A 27 38.419 23.569 -16.780 1.00 0.00 C ATOM 413 O LEU A 27 38.867 24.710 -16.893 1.00 0.00 O ATOM 414 CB LEU A 27 39.740 21.583 -17.623 1.00 0.00 C ATOM 415 CG LEU A 27 40.528 22.411 -18.666 1.00 0.00 C ATOM 416 CD1 LEU A 27 39.567 23.204 -19.566 1.00 0.00 C ATOM 417 CD2 LEU A 27 41.513 23.369 -17.980 1.00 0.00 C ATOM 0 H LEU A 27 38.516 20.578 -15.754 1.00 0.00 H new ATOM 0 HA LEU A 27 40.227 22.825 -15.926 1.00 0.00 H new ATOM 0 HB2 LEU A 27 40.348 20.737 -17.304 1.00 0.00 H new ATOM 0 HB3 LEU A 27 38.846 21.173 -18.093 1.00 0.00 H new ATOM 0 HG LEU A 27 41.096 21.714 -19.283 1.00 0.00 H new ATOM 0 HD11 LEU A 27 40.140 23.780 -20.293 1.00 0.00 H new ATOM 0 HD12 LEU A 27 38.906 22.514 -20.090 1.00 0.00 H new ATOM 0 HD13 LEU A 27 38.972 23.882 -18.954 1.00 0.00 H new ATOM 0 HD21 LEU A 27 42.053 23.938 -18.736 1.00 0.00 H new ATOM 0 HD22 LEU A 27 40.964 24.054 -17.334 1.00 0.00 H new ATOM 0 HD23 LEU A 27 42.222 22.796 -17.382 1.00 0.00 H new ATOM 429 N VAL A 28 37.136 23.280 -16.968 1.00 0.00 N ATOM 430 CA VAL A 28 36.179 24.321 -17.331 1.00 0.00 C ATOM 431 C VAL A 28 35.644 25.012 -16.079 1.00 0.00 C ATOM 432 O VAL A 28 35.232 26.171 -16.130 1.00 0.00 O ATOM 433 CB VAL A 28 35.022 23.728 -18.139 1.00 0.00 C ATOM 434 CG1 VAL A 28 35.567 23.083 -19.415 1.00 0.00 C ATOM 435 CG2 VAL A 28 34.298 22.667 -17.306 1.00 0.00 C ATOM 0 H VAL A 28 36.737 22.346 -16.877 1.00 0.00 H new ATOM 0 HA VAL A 28 36.692 25.059 -17.947 1.00 0.00 H new ATOM 0 HB VAL A 28 34.323 24.523 -18.399 1.00 0.00 H new ATOM 0 HG11 VAL A 28 34.743 22.661 -19.990 1.00 0.00 H new ATOM 0 HG12 VAL A 28 36.079 23.837 -20.014 1.00 0.00 H new ATOM 0 HG13 VAL A 28 36.268 22.291 -19.152 1.00 0.00 H new ATOM 0 HG21 VAL A 28 33.475 22.248 -17.886 1.00 0.00 H new ATOM 0 HG22 VAL A 28 34.996 21.873 -17.041 1.00 0.00 H new ATOM 0 HG23 VAL A 28 33.906 23.123 -16.397 1.00 0.00 H new ATOM 445 N HIS A 29 35.664 24.304 -14.955 1.00 0.00 N ATOM 446 CA HIS A 29 35.190 24.875 -13.699 1.00 0.00 C ATOM 447 C HIS A 29 36.186 25.908 -13.182 1.00 0.00 C ATOM 448 O HIS A 29 35.811 26.873 -12.516 1.00 0.00 O ATOM 449 CB HIS A 29 35.011 23.771 -12.654 1.00 0.00 C ATOM 450 CG HIS A 29 34.318 24.336 -11.445 1.00 0.00 C ATOM 451 ND1 HIS A 29 32.994 24.746 -11.476 1.00 0.00 N ATOM 452 CD2 HIS A 29 34.751 24.565 -10.162 1.00 0.00 C ATOM 453 CE1 HIS A 29 32.680 25.197 -10.247 1.00 0.00 C ATOM 454 NE2 HIS A 29 33.715 25.109 -9.408 1.00 0.00 N ATOM 0 H HIS A 29 36.000 23.343 -14.887 1.00 0.00 H new ATOM 0 HA HIS A 29 34.231 25.360 -13.878 1.00 0.00 H new ATOM 0 HB2 HIS A 29 34.427 22.951 -13.072 1.00 0.00 H new ATOM 0 HB3 HIS A 29 35.981 23.361 -12.372 1.00 0.00 H new ATOM 0 HD2 HIS A 29 35.744 24.355 -9.794 1.00 0.00 H new ATOM 0 HE1 HIS A 29 31.709 25.583 -9.973 1.00 0.00 H new ATOM 0 HE2 HIS A 29 33.741 25.382 -8.426 1.00 0.00 H new ATOM 463 N SER A 30 37.459 25.690 -13.497 1.00 0.00 N ATOM 464 CA SER A 30 38.509 26.605 -13.060 1.00 0.00 C ATOM 465 C SER A 30 39.080 27.393 -14.241 1.00 0.00 C ATOM 466 O SER A 30 40.153 27.986 -14.137 1.00 0.00 O ATOM 467 CB SER A 30 39.630 25.825 -12.375 1.00 0.00 C ATOM 468 OG SER A 30 40.617 26.735 -11.905 1.00 0.00 O ATOM 0 H SER A 30 37.787 24.896 -14.048 1.00 0.00 H new ATOM 0 HA SER A 30 38.070 27.310 -12.354 1.00 0.00 H new ATOM 0 HB2 SER A 30 39.229 25.244 -11.544 1.00 0.00 H new ATOM 0 HB3 SER A 30 40.075 25.117 -13.074 1.00 0.00 H new ATOM 0 HG SER A 30 40.882 27.335 -12.633 1.00 0.00 H new ATOM 474 N SER A 31 38.362 27.390 -15.363 1.00 0.00 N ATOM 475 CA SER A 31 38.819 28.102 -16.553 1.00 0.00 C ATOM 476 C SER A 31 38.717 29.612 -16.361 1.00 0.00 C ATOM 477 O SER A 31 39.446 30.375 -16.994 1.00 0.00 O ATOM 478 CB SER A 31 37.986 27.684 -17.764 1.00 0.00 C ATOM 479 OG SER A 31 38.442 28.387 -18.912 1.00 0.00 O ATOM 0 H SER A 31 37.470 26.907 -15.472 1.00 0.00 H new ATOM 0 HA SER A 31 39.865 27.844 -16.721 1.00 0.00 H new ATOM 0 HB2 SER A 31 38.070 26.609 -17.924 1.00 0.00 H new ATOM 0 HB3 SER A 31 36.932 27.898 -17.587 1.00 0.00 H new ATOM 0 HG SER A 31 37.911 28.120 -19.691 1.00 0.00 H new ATOM 485 N ASN A 32 37.810 30.040 -15.490 1.00 0.00 N ATOM 486 CA ASN A 32 37.629 31.464 -15.233 1.00 0.00 C ATOM 487 C ASN A 32 38.897 32.071 -14.642 1.00 0.00 C ATOM 488 O ASN A 32 39.310 33.167 -15.024 1.00 0.00 O ATOM 489 CB ASN A 32 36.462 31.677 -14.268 1.00 0.00 C ATOM 490 CG ASN A 32 36.764 31.021 -12.924 1.00 0.00 C ATOM 491 OD1 ASN A 32 37.404 29.971 -12.873 1.00 0.00 O ATOM 492 ND2 ASN A 32 36.337 31.582 -11.825 1.00 0.00 N ATOM 0 H ASN A 32 37.194 29.428 -14.955 1.00 0.00 H new ATOM 0 HA ASN A 32 37.413 31.958 -16.180 1.00 0.00 H new ATOM 0 HB2 ASN A 32 36.285 32.744 -14.129 1.00 0.00 H new ATOM 0 HB3 ASN A 32 35.550 31.255 -14.690 1.00 0.00 H new ATOM 0 HD21 ASN A 32 36.534 31.150 -10.922 1.00 0.00 H new ATOM 0 HD22 ASN A 32 35.807 32.452 -11.869 1.00 0.00 H new ATOM 499 N ASN A 33 39.510 31.352 -13.710 1.00 0.00 N ATOM 500 CA ASN A 33 40.730 31.836 -13.078 1.00 0.00 C ATOM 501 C ASN A 33 41.881 31.821 -14.077 1.00 0.00 C ATOM 502 O ASN A 33 42.718 32.722 -14.094 1.00 0.00 O ATOM 503 CB ASN A 33 41.081 30.962 -11.871 1.00 0.00 C ATOM 504 CG ASN A 33 40.078 31.198 -10.747 1.00 0.00 C ATOM 505 OD1 ASN A 33 39.358 30.279 -10.354 1.00 0.00 O ATOM 506 ND2 ASN A 33 39.986 32.381 -10.203 1.00 0.00 N ATOM 0 H ASN A 33 39.187 30.443 -13.378 1.00 0.00 H new ATOM 0 HA ASN A 33 40.565 32.859 -12.741 1.00 0.00 H new ATOM 0 HB2 ASN A 33 41.076 29.911 -12.159 1.00 0.00 H new ATOM 0 HB3 ASN A 33 42.088 31.193 -11.525 1.00 0.00 H new ATOM 0 HD21 ASN A 33 39.317 32.546 -9.451 1.00 0.00 H new ATOM 0 HD22 ASN A 33 40.583 33.141 -10.530 1.00 0.00 H new ATOM 513 N PHE A 34 41.911 30.782 -14.904 1.00 0.00 N ATOM 514 CA PHE A 34 42.960 30.638 -15.908 1.00 0.00 C ATOM 515 C PHE A 34 43.139 31.934 -16.690 1.00 0.00 C ATOM 516 O PHE A 34 44.264 32.355 -16.961 1.00 0.00 O ATOM 517 CB PHE A 34 42.611 29.501 -16.870 1.00 0.00 C ATOM 518 CG PHE A 34 43.709 29.352 -17.895 1.00 0.00 C ATOM 519 CD1 PHE A 34 44.914 28.733 -17.544 1.00 0.00 C ATOM 520 CD2 PHE A 34 43.523 29.834 -19.197 1.00 0.00 C ATOM 521 CE1 PHE A 34 45.933 28.595 -18.495 1.00 0.00 C ATOM 522 CE2 PHE A 34 44.541 29.695 -20.147 1.00 0.00 C ATOM 523 CZ PHE A 34 45.747 29.076 -19.796 1.00 0.00 C ATOM 0 H PHE A 34 41.223 30.029 -14.900 1.00 0.00 H new ATOM 0 HA PHE A 34 43.894 30.406 -15.397 1.00 0.00 H new ATOM 0 HB2 PHE A 34 42.486 28.569 -16.318 1.00 0.00 H new ATOM 0 HB3 PHE A 34 41.662 29.708 -17.365 1.00 0.00 H new ATOM 0 HD1 PHE A 34 45.058 28.362 -16.540 1.00 0.00 H new ATOM 0 HD2 PHE A 34 42.594 30.313 -19.468 1.00 0.00 H new ATOM 0 HE1 PHE A 34 46.863 28.117 -18.224 1.00 0.00 H new ATOM 0 HE2 PHE A 34 44.396 30.065 -21.151 1.00 0.00 H new ATOM 0 HZ PHE A 34 46.533 28.970 -20.529 1.00 0.00 H new ATOM 533 N GLY A 35 42.027 32.565 -17.049 1.00 0.00 N ATOM 534 CA GLY A 35 42.081 33.815 -17.798 1.00 0.00 C ATOM 535 C GLY A 35 42.804 34.897 -17.002 1.00 0.00 C ATOM 536 O GLY A 35 43.733 35.530 -17.504 1.00 0.00 O ATOM 0 H GLY A 35 41.085 32.236 -16.836 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.593 33.653 -18.747 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.070 34.146 -18.034 1.00 0.00 H new ATOM 540 N ALA A 36 42.374 35.110 -15.763 1.00 0.00 N ATOM 541 CA ALA A 36 42.997 36.126 -14.922 1.00 0.00 C ATOM 542 C ALA A 36 44.472 35.806 -14.698 1.00 0.00 C ATOM 543 O ALA A 36 45.304 36.707 -14.592 1.00 0.00 O ATOM 544 CB ALA A 36 42.275 36.215 -13.576 1.00 0.00 C ATOM 0 H ALA A 36 41.607 34.601 -15.323 1.00 0.00 H new ATOM 0 HA ALA A 36 42.920 37.086 -15.432 1.00 0.00 H new ATOM 0 HB1 ALA A 36 42.750 36.977 -12.958 1.00 0.00 H new ATOM 0 HB2 ALA A 36 41.231 36.480 -13.740 1.00 0.00 H new ATOM 0 HB3 ALA A 36 42.329 35.251 -13.070 1.00 0.00 H new ATOM 550 N ILE A 37 44.790 34.517 -14.633 1.00 0.00 N ATOM 551 CA ILE A 37 46.169 34.088 -14.428 1.00 0.00 C ATOM 552 C ILE A 37 47.046 34.525 -15.598 1.00 0.00 C ATOM 553 O ILE A 37 48.195 34.925 -15.412 1.00 0.00 O ATOM 554 CB ILE A 37 46.229 32.566 -14.283 1.00 0.00 C ATOM 555 CG1 ILE A 37 45.673 32.164 -12.913 1.00 0.00 C ATOM 556 CG2 ILE A 37 47.681 32.098 -14.403 1.00 0.00 C ATOM 557 CD1 ILE A 37 45.468 30.648 -12.862 1.00 0.00 C ATOM 0 H ILE A 37 44.117 33.756 -14.719 1.00 0.00 H new ATOM 0 HA ILE A 37 46.541 34.553 -13.515 1.00 0.00 H new ATOM 0 HB ILE A 37 45.633 32.101 -15.069 1.00 0.00 H new ATOM 0 HG12 ILE A 37 46.360 32.474 -12.126 1.00 0.00 H new ATOM 0 HG13 ILE A 37 44.728 32.675 -12.730 1.00 0.00 H new ATOM 0 HG21 ILE A 37 47.724 31.014 -14.300 1.00 0.00 H new ATOM 0 HG22 ILE A 37 48.077 32.385 -15.377 1.00 0.00 H new ATOM 0 HG23 ILE A 37 48.279 32.561 -13.618 1.00 0.00 H new ATOM 0 HD11 ILE A 37 45.073 30.367 -11.886 1.00 0.00 H new ATOM 0 HD12 ILE A 37 44.764 30.350 -13.638 1.00 0.00 H new ATOM 0 HD13 ILE A 37 46.422 30.146 -13.025 1.00 0.00 H new ATOM 569 N LEU A 38 46.491 34.443 -16.804 1.00 0.00 N ATOM 570 CA LEU A 38 47.225 34.829 -18.004 1.00 0.00 C ATOM 571 C LEU A 38 47.665 36.287 -17.917 1.00 0.00 C ATOM 572 O LEU A 38 48.703 36.664 -18.461 1.00 0.00 O ATOM 573 CB LEU A 38 46.344 34.628 -19.241 1.00 0.00 C ATOM 574 CG LEU A 38 47.134 34.974 -20.508 1.00 0.00 C ATOM 575 CD1 LEU A 38 48.281 33.977 -20.690 1.00 0.00 C ATOM 576 CD2 LEU A 38 46.202 34.902 -21.720 1.00 0.00 C ATOM 0 H LEU A 38 45.541 34.115 -16.975 1.00 0.00 H new ATOM 0 HA LEU A 38 48.112 34.200 -18.085 1.00 0.00 H new ATOM 0 HB2 LEU A 38 45.999 33.595 -19.288 1.00 0.00 H new ATOM 0 HB3 LEU A 38 45.457 35.258 -19.172 1.00 0.00 H new ATOM 0 HG LEU A 38 47.542 35.980 -20.416 1.00 0.00 H new ATOM 0 HD11 LEU A 38 48.840 34.226 -21.592 1.00 0.00 H new ATOM 0 HD12 LEU A 38 48.945 34.024 -19.827 1.00 0.00 H new ATOM 0 HD13 LEU A 38 47.876 32.969 -20.781 1.00 0.00 H new ATOM 0 HD21 LEU A 38 46.760 35.148 -22.623 1.00 0.00 H new ATOM 0 HD22 LEU A 38 45.796 33.894 -21.807 1.00 0.00 H new ATOM 0 HD23 LEU A 38 45.385 35.613 -21.594 1.00 0.00 H new ATOM 588 N SER A 39 46.873 37.101 -17.228 1.00 0.00 N ATOM 589 CA SER A 39 47.199 38.515 -17.075 1.00 0.00 C ATOM 590 C SER A 39 48.531 38.680 -16.352 1.00 0.00 C ATOM 591 O SER A 39 49.349 39.522 -16.722 1.00 0.00 O ATOM 592 CB SER A 39 46.097 39.225 -16.288 1.00 0.00 C ATOM 593 OG SER A 39 46.417 40.605 -16.175 1.00 0.00 O ATOM 0 H SER A 39 46.009 36.811 -16.770 1.00 0.00 H new ATOM 0 HA SER A 39 47.278 38.960 -18.067 1.00 0.00 H new ATOM 0 HB2 SER A 39 45.138 39.102 -16.791 1.00 0.00 H new ATOM 0 HB3 SER A 39 45.997 38.781 -15.298 1.00 0.00 H new ATOM 0 HG SER A 39 45.712 41.064 -15.672 1.00 0.00 H new ATOM 599 N SER A 40 48.743 37.870 -15.319 1.00 0.00 N ATOM 600 CA SER A 40 49.982 37.936 -14.552 1.00 0.00 C ATOM 601 C SER A 40 50.977 36.887 -15.043 1.00 0.00 C ATOM 602 O SER A 40 51.873 36.476 -14.306 1.00 0.00 O ATOM 603 CB SER A 40 49.689 37.707 -13.069 1.00 0.00 C ATOM 604 OG SER A 40 48.805 38.719 -12.604 1.00 0.00 O ATOM 0 H SER A 40 48.079 37.166 -14.996 1.00 0.00 H new ATOM 0 HA SER A 40 50.419 38.925 -14.689 1.00 0.00 H new ATOM 0 HB2 SER A 40 49.244 36.723 -12.922 1.00 0.00 H new ATOM 0 HB3 SER A 40 50.616 37.726 -12.496 1.00 0.00 H new ATOM 0 HG SER A 40 48.613 38.575 -11.654 1.00 0.00 H new ATOM 610 N THR A 41 50.813 36.457 -16.291 1.00 0.00 N ATOM 611 CA THR A 41 51.703 35.454 -16.867 1.00 0.00 C ATOM 612 C THR A 41 53.133 35.982 -16.952 1.00 0.00 C ATOM 613 O THR A 41 54.086 35.206 -17.009 1.00 0.00 O ATOM 614 CB THR A 41 51.217 35.068 -18.266 1.00 0.00 C ATOM 615 OG1 THR A 41 51.910 33.907 -18.701 1.00 0.00 O ATOM 616 CG2 THR A 41 51.485 36.219 -19.237 1.00 0.00 C ATOM 0 H THR A 41 50.078 36.784 -16.918 1.00 0.00 H new ATOM 0 HA THR A 41 51.693 34.576 -16.221 1.00 0.00 H new ATOM 0 HB THR A 41 50.147 34.864 -18.237 1.00 0.00 H new ATOM 0 HG1 THR A 41 51.599 33.657 -19.596 1.00 0.00 H new ATOM 0 HG21 THR A 41 51.139 35.943 -20.233 1.00 0.00 H new ATOM 0 HG22 THR A 41 50.953 37.109 -18.902 1.00 0.00 H new ATOM 0 HG23 THR A 41 52.555 36.426 -19.269 1.00 0.00 H new ATOM 624 N ASN A 42 53.276 37.304 -16.963 1.00 0.00 N ATOM 625 CA ASN A 42 54.597 37.918 -17.045 1.00 0.00 C ATOM 626 C ASN A 42 55.155 38.191 -15.651 1.00 0.00 C ATOM 627 O ASN A 42 55.993 39.074 -15.470 1.00 0.00 O ATOM 628 CB ASN A 42 54.516 39.229 -17.830 1.00 0.00 C ATOM 629 CG ASN A 42 53.725 40.264 -17.038 1.00 0.00 C ATOM 630 OD1 ASN A 42 53.067 39.925 -16.054 1.00 0.00 O ATOM 631 ND2 ASN A 42 53.748 41.515 -17.411 1.00 0.00 N ATOM 0 H ASN A 42 52.501 37.966 -16.917 1.00 0.00 H new ATOM 0 HA ASN A 42 55.264 37.226 -17.559 1.00 0.00 H new ATOM 0 HB2 ASN A 42 55.519 39.603 -18.033 1.00 0.00 H new ATOM 0 HB3 ASN A 42 54.040 39.056 -18.795 1.00 0.00 H new ATOM 0 HD21 ASN A 42 53.220 42.213 -16.887 1.00 0.00 H new ATOM 0 HD22 ASN A 42 54.294 41.794 -18.226 1.00 0.00 H new ATOM 638 N VAL A 43 54.686 37.426 -14.670 1.00 0.00 N ATOM 639 CA VAL A 43 55.147 37.595 -13.296 1.00 0.00 C ATOM 640 C VAL A 43 56.378 36.728 -13.025 1.00 0.00 C ATOM 641 O VAL A 43 56.708 36.446 -11.873 1.00 0.00 O ATOM 642 CB VAL A 43 54.021 37.222 -12.325 1.00 0.00 C ATOM 643 CG1 VAL A 43 53.913 35.697 -12.214 1.00 0.00 C ATOM 644 CG2 VAL A 43 54.311 37.820 -10.944 1.00 0.00 C ATOM 0 H VAL A 43 53.993 36.689 -14.799 1.00 0.00 H new ATOM 0 HA VAL A 43 55.424 38.639 -13.148 1.00 0.00 H new ATOM 0 HB VAL A 43 53.079 37.621 -12.701 1.00 0.00 H new ATOM 0 HG11 VAL A 43 53.111 35.438 -11.523 1.00 0.00 H new ATOM 0 HG12 VAL A 43 53.696 35.275 -13.195 1.00 0.00 H new ATOM 0 HG13 VAL A 43 54.855 35.291 -11.845 1.00 0.00 H new ATOM 0 HG21 VAL A 43 53.509 37.553 -10.256 1.00 0.00 H new ATOM 0 HG22 VAL A 43 55.256 37.428 -10.569 1.00 0.00 H new ATOM 0 HG23 VAL A 43 54.375 38.905 -11.024 1.00 0.00 H new ATOM 654 N GLY A 44 57.058 36.310 -14.090 1.00 0.00 N ATOM 655 CA GLY A 44 58.249 35.480 -13.944 1.00 0.00 C ATOM 656 C GLY A 44 57.953 34.020 -14.284 1.00 0.00 C ATOM 657 O GLY A 44 58.869 33.237 -14.535 1.00 0.00 O ATOM 0 H GLY A 44 56.807 36.530 -15.054 1.00 0.00 H new ATOM 0 HA2 GLY A 44 59.038 35.855 -14.596 1.00 0.00 H new ATOM 0 HA3 GLY A 44 58.620 35.550 -12.922 1.00 0.00 H new ATOM 661 N SER A 45 56.673 33.658 -14.291 1.00 0.00 N ATOM 662 CA SER A 45 56.279 32.289 -14.602 1.00 0.00 C ATOM 663 C SER A 45 55.970 32.145 -16.088 1.00 0.00 C ATOM 664 O SER A 45 55.108 31.359 -16.479 1.00 0.00 O ATOM 665 CB SER A 45 55.048 31.901 -13.783 1.00 0.00 C ATOM 666 OG SER A 45 53.973 32.771 -14.112 1.00 0.00 O ATOM 0 H SER A 45 55.897 34.288 -14.087 1.00 0.00 H new ATOM 0 HA SER A 45 57.107 31.626 -14.349 1.00 0.00 H new ATOM 0 HB2 SER A 45 54.771 30.867 -13.989 1.00 0.00 H new ATOM 0 HB3 SER A 45 55.270 31.965 -12.718 1.00 0.00 H new ATOM 0 HG SER A 45 53.181 32.524 -13.590 1.00 0.00 H new ATOM 672 N ASN A 46 56.679 32.910 -16.912 1.00 0.00 N ATOM 673 CA ASN A 46 56.471 32.860 -18.355 1.00 0.00 C ATOM 674 C ASN A 46 57.504 31.954 -19.020 1.00 0.00 C ATOM 675 O ASN A 46 57.787 32.091 -20.210 1.00 0.00 O ATOM 676 CB ASN A 46 56.570 34.268 -18.945 1.00 0.00 C ATOM 677 CG ASN A 46 57.997 34.789 -18.815 1.00 0.00 C ATOM 678 OD1 ASN A 46 58.818 34.189 -18.121 1.00 0.00 O ATOM 679 ND2 ASN A 46 58.344 35.877 -19.446 1.00 0.00 N ATOM 0 H ASN A 46 57.397 33.567 -16.608 1.00 0.00 H new ATOM 0 HA ASN A 46 55.477 32.454 -18.544 1.00 0.00 H new ATOM 0 HB2 ASN A 46 56.274 34.253 -19.994 1.00 0.00 H new ATOM 0 HB3 ASN A 46 55.881 34.937 -18.429 1.00 0.00 H new ATOM 0 HD21 ASN A 46 59.297 36.232 -19.365 1.00 0.00 H new ATOM 0 HD22 ASN A 46 57.662 36.373 -20.021 1.00 0.00 H new ATOM 686 N THR A 47 58.066 31.029 -18.246 1.00 0.00 N ATOM 687 CA THR A 47 59.066 30.110 -18.777 1.00 0.00 C ATOM 688 C THR A 47 58.417 28.797 -19.204 1.00 0.00 C ATOM 689 O THR A 47 59.068 27.752 -19.230 1.00 0.00 O ATOM 690 CB THR A 47 60.135 29.833 -17.718 1.00 0.00 C ATOM 691 OG1 THR A 47 60.371 31.014 -16.965 1.00 0.00 O ATOM 692 CG2 THR A 47 61.431 29.393 -18.401 1.00 0.00 C ATOM 0 H THR A 47 57.848 30.897 -17.258 1.00 0.00 H new ATOM 0 HA THR A 47 59.529 30.572 -19.649 1.00 0.00 H new ATOM 0 HB THR A 47 59.791 29.041 -17.053 1.00 0.00 H new ATOM 0 HG1 THR A 47 61.054 30.837 -16.285 1.00 0.00 H new ATOM 0 HG21 THR A 47 62.192 29.196 -17.646 1.00 0.00 H new ATOM 0 HG22 THR A 47 61.249 28.486 -18.978 1.00 0.00 H new ATOM 0 HG23 THR A 47 61.777 30.183 -19.067 1.00 0.00 H new ATOM 700 N TYR A 48 57.132 28.857 -19.538 1.00 0.00 N ATOM 701 CA TYR A 48 56.407 27.664 -19.962 1.00 0.00 C ATOM 702 C TYR A 48 55.565 27.954 -21.202 1.00 0.00 C ATOM 703 O TYR A 48 54.592 27.253 -21.480 1.00 0.00 O ATOM 704 CB TYR A 48 55.501 27.176 -18.829 1.00 0.00 C ATOM 705 CG TYR A 48 54.260 28.034 -18.769 1.00 0.00 C ATOM 706 CD1 TYR A 48 53.020 27.500 -19.141 1.00 0.00 C ATOM 707 CD2 TYR A 48 54.349 29.364 -18.341 1.00 0.00 C ATOM 708 CE1 TYR A 48 51.870 28.296 -19.085 1.00 0.00 C ATOM 709 CE2 TYR A 48 53.199 30.160 -18.285 1.00 0.00 C ATOM 710 CZ TYR A 48 51.959 29.626 -18.657 1.00 0.00 C ATOM 711 OH TYR A 48 50.826 30.411 -18.601 1.00 0.00 O ATOM 0 H TYR A 48 56.575 29.711 -19.524 1.00 0.00 H new ATOM 0 HA TYR A 48 57.134 26.890 -20.208 1.00 0.00 H new ATOM 0 HB2 TYR A 48 55.227 26.134 -18.992 1.00 0.00 H new ATOM 0 HB3 TYR A 48 56.033 27.221 -17.879 1.00 0.00 H new ATOM 0 HD1 TYR A 48 52.951 26.474 -19.471 1.00 0.00 H new ATOM 0 HD2 TYR A 48 55.305 29.776 -18.054 1.00 0.00 H new ATOM 0 HE1 TYR A 48 50.914 27.884 -19.372 1.00 0.00 H new ATOM 0 HE2 TYR A 48 53.268 31.186 -17.955 1.00 0.00 H new ATOM 0 HH TYR A 48 51.064 31.307 -18.282 1.00 0.00 H new ATOM 721 N GLY A 49 55.944 28.990 -21.946 1.00 0.00 N ATOM 722 CA GLY A 49 55.212 29.358 -23.153 1.00 0.00 C ATOM 723 C GLY A 49 55.217 28.216 -24.163 1.00 0.00 C ATOM 724 O GLY A 49 56.244 27.572 -24.382 1.00 0.00 O ATOM 0 H GLY A 49 56.746 29.584 -21.737 1.00 0.00 H new ATOM 0 HA2 GLY A 49 54.185 29.616 -22.895 1.00 0.00 H new ATOM 0 HA3 GLY A 49 55.661 30.245 -23.599 1.00 0.00 H new ATOM 728 N LYS A 50 54.064 27.971 -24.776 1.00 0.00 N ATOM 729 CA LYS A 50 53.946 26.905 -25.764 1.00 0.00 C ATOM 730 C LYS A 50 54.732 27.252 -27.024 1.00 0.00 C ATOM 731 O LYS A 50 55.220 26.368 -27.727 1.00 0.00 O ATOM 732 CB LYS A 50 52.476 26.683 -26.121 1.00 0.00 C ATOM 733 CG LYS A 50 51.755 26.042 -24.934 1.00 0.00 C ATOM 734 CD LYS A 50 50.322 25.684 -25.335 1.00 0.00 C ATOM 735 CE LYS A 50 49.478 26.957 -25.412 1.00 0.00 C ATOM 736 NZ LYS A 50 49.412 27.592 -24.065 1.00 0.00 N ATOM 0 H LYS A 50 53.203 28.492 -24.608 1.00 0.00 H new ATOM 0 HA LYS A 50 54.356 25.991 -25.335 1.00 0.00 H new ATOM 0 HB2 LYS A 50 52.005 27.632 -26.377 1.00 0.00 H new ATOM 0 HB3 LYS A 50 52.397 26.041 -26.998 1.00 0.00 H new ATOM 0 HG2 LYS A 50 52.288 25.147 -24.612 1.00 0.00 H new ATOM 0 HG3 LYS A 50 51.746 26.729 -24.088 1.00 0.00 H new ATOM 0 HD2 LYS A 50 50.320 25.175 -26.299 1.00 0.00 H new ATOM 0 HD3 LYS A 50 49.892 24.994 -24.609 1.00 0.00 H new ATOM 0 HE2 LYS A 50 49.912 27.651 -26.132 1.00 0.00 H new ATOM 0 HE3 LYS A 50 48.474 26.720 -25.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 48.526 28.129 -23.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 49.444 26.855 -23.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 50.220 28.236 -23.945 1.00 0.00 H new ATOM 750 N ARG A 51 54.845 28.546 -27.305 1.00 0.00 N ATOM 751 CA ARG A 51 55.570 29.000 -28.487 1.00 0.00 C ATOM 752 C ARG A 51 56.960 28.373 -28.545 1.00 0.00 C ATOM 753 O ARG A 51 57.545 28.237 -29.618 1.00 0.00 O ATOM 754 CB ARG A 51 55.690 30.528 -28.475 1.00 0.00 C ATOM 755 CG ARG A 51 56.555 30.975 -27.292 1.00 0.00 C ATOM 756 CD ARG A 51 56.703 32.499 -27.308 1.00 0.00 C ATOM 757 NE ARG A 51 55.449 33.139 -26.912 1.00 0.00 N ATOM 758 CZ ARG A 51 54.524 33.513 -27.803 1.00 0.00 C ATOM 759 NH1 ARG A 51 54.689 33.298 -29.084 1.00 0.00 N ATOM 760 NH2 ARG A 51 53.437 34.103 -27.388 1.00 0.00 N ATOM 0 H ARG A 51 54.448 29.294 -26.736 1.00 0.00 H new ATOM 0 HA ARG A 51 55.012 28.689 -29.370 1.00 0.00 H new ATOM 0 HB2 ARG A 51 56.131 30.874 -29.410 1.00 0.00 H new ATOM 0 HB3 ARG A 51 54.700 30.978 -28.403 1.00 0.00 H new ATOM 0 HG2 ARG A 51 56.100 30.654 -26.355 1.00 0.00 H new ATOM 0 HG3 ARG A 51 57.536 30.504 -27.348 1.00 0.00 H new ATOM 0 HD2 ARG A 51 57.502 32.800 -26.630 1.00 0.00 H new ATOM 0 HD3 ARG A 51 56.989 32.832 -28.306 1.00 0.00 H new ATOM 0 HE ARG A 51 55.274 33.306 -25.921 1.00 0.00 H new ATOM 0 HH11 ARG A 51 55.535 32.837 -29.419 1.00 0.00 H new ATOM 0 HH12 ARG A 51 53.971 33.591 -29.747 1.00 0.00 H new ATOM 0 HH21 ARG A 51 53.299 34.275 -26.392 1.00 0.00 H new ATOM 0 HH22 ARG A 51 52.726 34.392 -28.059 1.00 0.00 H new ATOM 774 N ASN A 52 57.485 27.991 -27.386 1.00 0.00 N ATOM 775 CA ASN A 52 58.808 27.380 -27.326 1.00 0.00 C ATOM 776 C ASN A 52 58.853 26.119 -28.182 1.00 0.00 C ATOM 777 O ASN A 52 59.864 25.824 -28.821 1.00 0.00 O ATOM 778 CB ASN A 52 59.155 27.029 -25.878 1.00 0.00 C ATOM 779 CG ASN A 52 60.663 27.119 -25.666 1.00 0.00 C ATOM 780 OD1 ASN A 52 61.117 27.511 -24.592 1.00 0.00 O ATOM 781 ND2 ASN A 52 61.470 26.777 -26.633 1.00 0.00 N ATOM 0 H ASN A 52 57.020 28.092 -26.484 1.00 0.00 H new ATOM 0 HA ASN A 52 59.536 28.094 -27.711 1.00 0.00 H new ATOM 0 HB2 ASN A 52 58.643 27.709 -25.198 1.00 0.00 H new ATOM 0 HB3 ASN A 52 58.806 26.023 -25.645 1.00 0.00 H new ATOM 0 HD21 ASN A 52 62.480 26.834 -26.499 1.00 0.00 H new ATOM 0 HD22 ASN A 52 61.091 26.452 -27.523 1.00 0.00 H new ATOM 788 N ALA A 53 57.750 25.378 -28.189 1.00 0.00 N ATOM 789 CA ALA A 53 57.670 24.147 -28.967 1.00 0.00 C ATOM 790 C ALA A 53 57.796 24.438 -30.461 1.00 0.00 C ATOM 791 O ALA A 53 58.514 23.742 -31.178 1.00 0.00 O ATOM 792 CB ALA A 53 56.339 23.444 -28.694 1.00 0.00 C ATOM 0 H ALA A 53 56.903 25.607 -27.668 1.00 0.00 H new ATOM 0 HA ALA A 53 58.494 23.500 -28.667 1.00 0.00 H new ATOM 0 HB1 ALA A 53 56.286 22.525 -29.278 1.00 0.00 H new ATOM 0 HB2 ALA A 53 56.265 23.204 -27.633 1.00 0.00 H new ATOM 0 HB3 ALA A 53 55.516 24.101 -28.976 1.00 0.00 H new ATOM 798 N VAL A 54 57.092 25.466 -30.926 1.00 0.00 N ATOM 799 CA VAL A 54 57.135 25.831 -32.338 1.00 0.00 C ATOM 800 C VAL A 54 58.455 26.515 -32.688 1.00 0.00 C ATOM 801 O VAL A 54 58.849 26.559 -33.854 1.00 0.00 O ATOM 802 CB VAL A 54 55.963 26.761 -32.673 1.00 0.00 C ATOM 803 CG1 VAL A 54 56.441 28.216 -32.719 1.00 0.00 C ATOM 804 CG2 VAL A 54 55.383 26.375 -34.035 1.00 0.00 C ATOM 0 H VAL A 54 56.490 26.056 -30.352 1.00 0.00 H new ATOM 0 HA VAL A 54 57.055 24.918 -32.928 1.00 0.00 H new ATOM 0 HB VAL A 54 55.198 26.661 -31.903 1.00 0.00 H new ATOM 0 HG11 VAL A 54 55.601 28.868 -32.958 1.00 0.00 H new ATOM 0 HG12 VAL A 54 56.852 28.495 -31.749 1.00 0.00 H new ATOM 0 HG13 VAL A 54 57.211 28.322 -33.483 1.00 0.00 H new ATOM 0 HG21 VAL A 54 54.549 27.035 -34.276 1.00 0.00 H new ATOM 0 HG22 VAL A 54 56.154 26.471 -34.799 1.00 0.00 H new ATOM 0 HG23 VAL A 54 55.032 25.344 -34.002 1.00 0.00 H new ATOM 814 N GLU A 55 59.135 27.047 -31.676 1.00 0.00 N ATOM 815 CA GLU A 55 60.406 27.724 -31.903 1.00 0.00 C ATOM 816 C GLU A 55 61.529 26.708 -32.085 1.00 0.00 C ATOM 817 O GLU A 55 62.212 26.701 -33.109 1.00 0.00 O ATOM 818 CB GLU A 55 60.729 28.642 -30.723 1.00 0.00 C ATOM 819 CG GLU A 55 61.825 29.629 -31.130 1.00 0.00 C ATOM 820 CD GLU A 55 63.190 28.951 -31.070 1.00 0.00 C ATOM 821 OE1 GLU A 55 63.344 28.040 -30.273 1.00 0.00 O ATOM 822 OE2 GLU A 55 64.062 29.352 -31.823 1.00 0.00 O ATOM 0 H GLU A 55 58.831 27.023 -30.703 1.00 0.00 H new ATOM 0 HA GLU A 55 60.321 28.320 -32.811 1.00 0.00 H new ATOM 0 HB2 GLU A 55 59.835 29.183 -30.414 1.00 0.00 H new ATOM 0 HB3 GLU A 55 61.056 28.051 -29.868 1.00 0.00 H new ATOM 0 HG2 GLU A 55 61.637 29.997 -32.139 1.00 0.00 H new ATOM 0 HG3 GLU A 55 61.811 30.494 -30.467 1.00 0.00 H new ATOM 829 N VAL A 56 61.719 25.853 -31.085 1.00 0.00 N ATOM 830 CA VAL A 56 62.767 24.841 -31.149 1.00 0.00 C ATOM 831 C VAL A 56 62.648 24.022 -32.431 1.00 0.00 C ATOM 832 O VAL A 56 63.653 23.593 -32.998 1.00 0.00 O ATOM 833 CB VAL A 56 62.679 23.915 -29.934 1.00 0.00 C ATOM 834 CG1 VAL A 56 61.378 23.113 -29.990 1.00 0.00 C ATOM 835 CG2 VAL A 56 63.869 22.953 -29.942 1.00 0.00 C ATOM 0 H VAL A 56 61.166 25.840 -30.228 1.00 0.00 H new ATOM 0 HA VAL A 56 63.732 25.347 -31.146 1.00 0.00 H new ATOM 0 HB VAL A 56 62.696 24.512 -29.023 1.00 0.00 H new ATOM 0 HG11 VAL A 56 61.319 22.455 -29.123 1.00 0.00 H new ATOM 0 HG12 VAL A 56 60.529 23.796 -29.985 1.00 0.00 H new ATOM 0 HG13 VAL A 56 61.358 22.516 -30.901 1.00 0.00 H new ATOM 0 HG21 VAL A 56 63.809 22.292 -29.077 1.00 0.00 H new ATOM 0 HG22 VAL A 56 63.850 22.358 -30.855 1.00 0.00 H new ATOM 0 HG23 VAL A 56 64.797 23.522 -29.899 1.00 0.00 H new ATOM 845 N LEU A 57 61.416 23.808 -32.885 1.00 0.00 N ATOM 846 CA LEU A 57 61.194 23.039 -34.104 1.00 0.00 C ATOM 847 C LEU A 57 61.872 23.724 -35.286 1.00 0.00 C ATOM 848 O LEU A 57 62.524 23.076 -36.105 1.00 0.00 O ATOM 849 CB LEU A 57 59.695 22.896 -34.380 1.00 0.00 C ATOM 850 CG LEU A 57 59.257 21.456 -34.105 1.00 0.00 C ATOM 851 CD1 LEU A 57 59.022 21.269 -32.605 1.00 0.00 C ATOM 852 CD2 LEU A 57 57.960 21.165 -34.865 1.00 0.00 C ATOM 0 H LEU A 57 60.568 24.151 -32.434 1.00 0.00 H new ATOM 0 HA LEU A 57 61.624 22.046 -33.970 1.00 0.00 H new ATOM 0 HB2 LEU A 57 59.132 23.585 -33.750 1.00 0.00 H new ATOM 0 HB3 LEU A 57 59.479 23.161 -35.415 1.00 0.00 H new ATOM 0 HG LEU A 57 60.036 20.770 -34.437 1.00 0.00 H new ATOM 0 HD11 LEU A 57 58.710 20.243 -32.411 1.00 0.00 H new ATOM 0 HD12 LEU A 57 59.945 21.476 -32.063 1.00 0.00 H new ATOM 0 HD13 LEU A 57 58.243 21.954 -32.270 1.00 0.00 H new ATOM 0 HD21 LEU A 57 57.646 20.139 -34.670 1.00 0.00 H new ATOM 0 HD22 LEU A 57 57.182 21.852 -34.533 1.00 0.00 H new ATOM 0 HD23 LEU A 57 58.127 21.296 -35.934 1.00 0.00 H new ATOM 864 N LYS A 58 61.721 25.042 -35.359 1.00 0.00 N ATOM 865 CA LYS A 58 62.328 25.820 -36.433 1.00 0.00 C ATOM 866 C LYS A 58 63.848 25.814 -36.306 1.00 0.00 C ATOM 867 O LYS A 58 64.560 25.679 -37.300 1.00 0.00 O ATOM 868 CB LYS A 58 61.819 27.263 -36.380 1.00 0.00 C ATOM 869 CG LYS A 58 60.347 27.306 -36.800 1.00 0.00 C ATOM 870 CD LYS A 58 60.240 27.135 -38.317 1.00 0.00 C ATOM 871 CE LYS A 58 58.805 27.420 -38.764 1.00 0.00 C ATOM 872 NZ LYS A 58 57.896 26.377 -38.210 1.00 0.00 N ATOM 0 H LYS A 58 61.185 25.593 -34.689 1.00 0.00 H new ATOM 0 HA LYS A 58 62.052 25.368 -37.386 1.00 0.00 H new ATOM 0 HB2 LYS A 58 61.931 27.662 -35.372 1.00 0.00 H new ATOM 0 HB3 LYS A 58 62.414 27.893 -37.040 1.00 0.00 H new ATOM 0 HG2 LYS A 58 59.791 26.516 -36.295 1.00 0.00 H new ATOM 0 HG3 LYS A 58 59.900 28.253 -36.498 1.00 0.00 H new ATOM 0 HD2 LYS A 58 60.930 27.813 -38.819 1.00 0.00 H new ATOM 0 HD3 LYS A 58 60.526 26.122 -38.600 1.00 0.00 H new ATOM 0 HE2 LYS A 58 58.495 28.407 -38.421 1.00 0.00 H new ATOM 0 HE3 LYS A 58 58.746 27.428 -39.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 56.956 26.468 -38.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 58.283 25.434 -38.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 57.813 26.500 -37.181 1.00 0.00 H new ATOM 886 N ARG A 59 64.339 25.968 -35.081 1.00 0.00 N ATOM 887 CA ARG A 59 65.777 25.985 -34.840 1.00 0.00 C ATOM 888 C ARG A 59 66.413 24.657 -35.240 1.00 0.00 C ATOM 889 O ARG A 59 67.542 24.624 -35.731 1.00 0.00 O ATOM 890 CB ARG A 59 66.056 26.262 -33.361 1.00 0.00 C ATOM 891 CG ARG A 59 67.542 26.571 -33.170 1.00 0.00 C ATOM 892 CD ARG A 59 68.266 25.318 -32.676 1.00 0.00 C ATOM 893 NE ARG A 59 69.679 25.607 -32.450 1.00 0.00 N ATOM 894 CZ ARG A 59 70.515 24.688 -31.963 1.00 0.00 C ATOM 895 NH1 ARG A 59 70.091 23.485 -31.670 1.00 0.00 N ATOM 896 NH2 ARG A 59 71.771 24.992 -31.778 1.00 0.00 N ATOM 0 H ARG A 59 63.767 26.082 -34.244 1.00 0.00 H new ATOM 0 HA ARG A 59 66.214 26.777 -35.449 1.00 0.00 H new ATOM 0 HB2 ARG A 59 65.452 27.102 -33.017 1.00 0.00 H new ATOM 0 HB3 ARG A 59 65.773 25.399 -32.759 1.00 0.00 H new ATOM 0 HG2 ARG A 59 67.978 26.908 -34.111 1.00 0.00 H new ATOM 0 HG3 ARG A 59 67.666 27.382 -32.452 1.00 0.00 H new ATOM 0 HD2 ARG A 59 67.808 24.965 -31.752 1.00 0.00 H new ATOM 0 HD3 ARG A 59 68.164 24.518 -33.409 1.00 0.00 H new ATOM 0 HE ARG A 59 70.037 26.536 -32.670 1.00 0.00 H new ATOM 0 HH11 ARG A 59 69.111 23.241 -31.813 1.00 0.00 H new ATOM 0 HH12 ARG A 59 70.740 22.792 -31.298 1.00 0.00 H new ATOM 0 HH21 ARG A 59 72.108 25.927 -32.005 1.00 0.00 H new ATOM 0 HH22 ARG A 59 72.415 24.294 -31.406 1.00 0.00 H new ATOM 910 N GLU A 60 65.688 23.564 -35.024 1.00 0.00 N ATOM 911 CA GLU A 60 66.200 22.241 -35.365 1.00 0.00 C ATOM 912 C GLU A 60 65.355 21.601 -36.463 1.00 0.00 C ATOM 913 O GLU A 60 64.552 20.706 -36.197 1.00 0.00 O ATOM 914 CB GLU A 60 66.188 21.345 -34.126 1.00 0.00 C ATOM 915 CG GLU A 60 66.873 20.016 -34.450 1.00 0.00 C ATOM 916 CD GLU A 60 66.891 19.124 -33.213 1.00 0.00 C ATOM 917 OE1 GLU A 60 66.442 19.577 -32.173 1.00 0.00 O ATOM 918 OE2 GLU A 60 67.353 18.000 -33.324 1.00 0.00 O ATOM 0 H GLU A 60 64.752 23.567 -34.618 1.00 0.00 H new ATOM 0 HA GLU A 60 67.222 22.351 -35.728 1.00 0.00 H new ATOM 0 HB2 GLU A 60 66.702 21.840 -33.302 1.00 0.00 H new ATOM 0 HB3 GLU A 60 65.162 21.168 -33.802 1.00 0.00 H new ATOM 0 HG2 GLU A 60 66.347 19.515 -35.262 1.00 0.00 H new ATOM 0 HG3 GLU A 60 67.892 20.197 -34.793 1.00 0.00 H new ATOM 925 N PRO A 61 65.523 22.039 -37.683 1.00 0.00 N ATOM 926 CA PRO A 61 64.763 21.495 -38.846 1.00 0.00 C ATOM 927 C PRO A 61 65.221 20.089 -39.237 1.00 0.00 C ATOM 928 O PRO A 61 64.617 19.449 -40.098 1.00 0.00 O ATOM 929 CB PRO A 61 65.053 22.495 -39.967 1.00 0.00 C ATOM 930 CG PRO A 61 66.365 23.112 -39.615 1.00 0.00 C ATOM 931 CD PRO A 61 66.457 23.102 -38.089 1.00 0.00 C ATOM 0 HA PRO A 61 63.701 21.390 -38.624 1.00 0.00 H new ATOM 0 HB2 PRO A 61 65.100 21.997 -40.936 1.00 0.00 H new ATOM 0 HB3 PRO A 61 64.269 23.249 -40.034 1.00 0.00 H new ATOM 0 HG2 PRO A 61 67.188 22.550 -40.056 1.00 0.00 H new ATOM 0 HG3 PRO A 61 66.431 24.129 -40.000 1.00 0.00 H new ATOM 0 HD2 PRO A 61 67.472 22.892 -37.752 1.00 0.00 H new ATOM 0 HD3 PRO A 61 66.174 24.066 -37.666 1.00 0.00 H new ATOM 939 N LEU A 62 66.292 19.615 -38.604 1.00 0.00 N ATOM 940 CA LEU A 62 66.818 18.289 -38.900 1.00 0.00 C ATOM 941 C LEU A 62 65.751 17.226 -38.666 1.00 0.00 C ATOM 942 O LEU A 62 65.612 16.288 -39.450 1.00 0.00 O ATOM 943 CB LEU A 62 68.034 18.006 -38.011 1.00 0.00 C ATOM 944 CG LEU A 62 68.598 16.615 -38.317 1.00 0.00 C ATOM 945 CD1 LEU A 62 69.113 16.572 -39.758 1.00 0.00 C ATOM 946 CD2 LEU A 62 69.752 16.315 -37.358 1.00 0.00 C ATOM 0 H LEU A 62 66.808 20.127 -37.888 1.00 0.00 H new ATOM 0 HA LEU A 62 67.117 18.258 -39.948 1.00 0.00 H new ATOM 0 HB2 LEU A 62 68.801 18.763 -38.179 1.00 0.00 H new ATOM 0 HB3 LEU A 62 67.749 18.068 -36.961 1.00 0.00 H new ATOM 0 HG LEU A 62 67.812 15.871 -38.192 1.00 0.00 H new ATOM 0 HD11 LEU A 62 69.513 15.581 -39.972 1.00 0.00 H new ATOM 0 HD12 LEU A 62 68.294 16.788 -40.444 1.00 0.00 H new ATOM 0 HD13 LEU A 62 69.899 17.316 -39.886 1.00 0.00 H new ATOM 0 HD21 LEU A 62 70.156 15.326 -37.573 1.00 0.00 H new ATOM 0 HD22 LEU A 62 70.535 17.062 -37.486 1.00 0.00 H new ATOM 0 HD23 LEU A 62 69.388 16.343 -36.331 1.00 0.00 H new ATOM 958 N ASN A 63 65.000 17.378 -37.580 1.00 0.00 N ATOM 959 CA ASN A 63 63.950 16.423 -37.249 1.00 0.00 C ATOM 960 C ASN A 63 62.888 16.389 -38.344 1.00 0.00 C ATOM 961 O ASN A 63 62.205 15.382 -38.527 1.00 0.00 O ATOM 962 CB ASN A 63 63.301 16.803 -35.917 1.00 0.00 C ATOM 963 CG ASN A 63 62.494 18.087 -36.076 1.00 0.00 C ATOM 964 OD1 ASN A 63 62.862 18.960 -36.862 1.00 0.00 O ATOM 965 ND2 ASN A 63 61.408 18.256 -35.373 1.00 0.00 N ATOM 0 H ASN A 63 65.098 18.148 -36.918 1.00 0.00 H new ATOM 0 HA ASN A 63 64.399 15.433 -37.166 1.00 0.00 H new ATOM 0 HB2 ASN A 63 62.652 15.996 -35.576 1.00 0.00 H new ATOM 0 HB3 ASN A 63 64.068 16.938 -35.155 1.00 0.00 H new ATOM 0 HD21 ASN A 63 60.863 19.112 -35.474 1.00 0.00 H new ATOM 0 HD22 ASN A 63 61.104 17.532 -34.722 1.00 0.00 H new ATOM 972 N TYR A 64 62.755 17.495 -39.069 1.00 0.00 N ATOM 973 CA TYR A 64 61.771 17.575 -40.143 1.00 0.00 C ATOM 974 C TYR A 64 62.241 16.779 -41.355 1.00 0.00 C ATOM 975 O TYR A 64 61.455 16.091 -42.007 1.00 0.00 O ATOM 976 CB TYR A 64 61.552 19.036 -40.543 1.00 0.00 C ATOM 977 CG TYR A 64 60.438 19.118 -41.558 1.00 0.00 C ATOM 978 CD1 TYR A 64 59.103 19.080 -41.137 1.00 0.00 C ATOM 979 CD2 TYR A 64 60.739 19.233 -42.921 1.00 0.00 C ATOM 980 CE1 TYR A 64 58.070 19.156 -42.078 1.00 0.00 C ATOM 981 CE2 TYR A 64 59.706 19.309 -43.862 1.00 0.00 C ATOM 982 CZ TYR A 64 58.371 19.270 -43.441 1.00 0.00 C ATOM 983 OH TYR A 64 57.352 19.345 -44.369 1.00 0.00 O ATOM 0 H TYR A 64 63.310 18.340 -38.935 1.00 0.00 H new ATOM 0 HA TYR A 64 60.832 17.153 -39.785 1.00 0.00 H new ATOM 0 HB2 TYR A 64 61.303 19.631 -39.665 1.00 0.00 H new ATOM 0 HB3 TYR A 64 62.469 19.452 -40.960 1.00 0.00 H new ATOM 0 HD1 TYR A 64 58.871 18.992 -40.086 1.00 0.00 H new ATOM 0 HD2 TYR A 64 61.769 19.263 -43.246 1.00 0.00 H new ATOM 0 HE1 TYR A 64 57.040 19.127 -41.753 1.00 0.00 H new ATOM 0 HE2 TYR A 64 59.938 19.398 -44.913 1.00 0.00 H new ATOM 0 HH TYR A 64 57.734 19.422 -45.268 1.00 0.00 H new ATOM 993 N LEU A 65 63.533 16.882 -41.648 1.00 0.00 N ATOM 994 CA LEU A 65 64.113 16.172 -42.783 1.00 0.00 C ATOM 995 C LEU A 65 64.218 14.677 -42.479 1.00 0.00 C ATOM 996 O LEU A 65 64.212 14.275 -41.315 1.00 0.00 O ATOM 997 CB LEU A 65 65.504 16.734 -43.088 1.00 0.00 C ATOM 998 CG LEU A 65 65.382 18.192 -43.538 1.00 0.00 C ATOM 999 CD1 LEU A 65 66.773 18.825 -43.596 1.00 0.00 C ATOM 1000 CD2 LEU A 65 64.739 18.247 -44.928 1.00 0.00 C ATOM 0 H LEU A 65 64.196 17.448 -41.118 1.00 0.00 H new ATOM 0 HA LEU A 65 63.467 16.310 -43.650 1.00 0.00 H new ATOM 0 HB2 LEU A 65 66.136 16.668 -42.202 1.00 0.00 H new ATOM 0 HB3 LEU A 65 65.984 16.141 -43.867 1.00 0.00 H new ATOM 0 HG LEU A 65 64.761 18.740 -42.829 1.00 0.00 H new ATOM 0 HD11 LEU A 65 66.687 19.863 -43.916 1.00 0.00 H new ATOM 0 HD12 LEU A 65 67.232 18.787 -42.608 1.00 0.00 H new ATOM 0 HD13 LEU A 65 67.393 18.277 -44.305 1.00 0.00 H new ATOM 0 HD21 LEU A 65 64.652 19.285 -45.248 1.00 0.00 H new ATOM 0 HD22 LEU A 65 65.359 17.699 -45.638 1.00 0.00 H new ATOM 0 HD23 LEU A 65 63.748 17.796 -44.888 1.00 0.00 H new ATOM 1012 N PRO A 66 64.313 13.849 -43.492 1.00 0.00 N ATOM 1013 CA PRO A 66 64.420 12.371 -43.309 1.00 0.00 C ATOM 1014 C PRO A 66 65.559 11.991 -42.366 1.00 0.00 C ATOM 1015 O PRO A 66 66.632 12.593 -42.399 1.00 0.00 O ATOM 1016 CB PRO A 66 64.686 11.841 -44.721 1.00 0.00 C ATOM 1017 CG PRO A 66 64.165 12.891 -45.643 1.00 0.00 C ATOM 1018 CD PRO A 66 64.328 14.224 -44.917 1.00 0.00 C ATOM 0 HA PRO A 66 63.521 11.952 -42.856 1.00 0.00 H new ATOM 0 HB2 PRO A 66 65.750 11.670 -44.882 1.00 0.00 H new ATOM 0 HB3 PRO A 66 64.181 10.889 -44.885 1.00 0.00 H new ATOM 0 HG2 PRO A 66 64.717 12.891 -46.583 1.00 0.00 H new ATOM 0 HG3 PRO A 66 63.119 12.708 -45.888 1.00 0.00 H new ATOM 0 HD2 PRO A 66 65.260 14.718 -45.191 1.00 0.00 H new ATOM 0 HD3 PRO A 66 63.519 14.913 -45.158 1.00 0.00 H new