USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 599 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 71 THR OG1 : rot 145:sc= 1.27 USER MOD Set 1.2: A 72 ASN : amide:sc= -2.54! C(o=-1.3!,f=-6!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.931 K(o=-0.93,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0696 X(o=-0.07,f=-0.49) USER MOD Single : A 17 HIS : no HD1:sc= -0.0542 X(o=-0.054,f=-0.00074) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.646 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 35 THR OG1 : rot -36:sc= 0.67 USER MOD Single : A 40 MET CE :methyl 160:sc= -1.03 (180deg=-1.38) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.422 K(o=-0.42,f=-5.2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.659 USER MOD Single : A 55 HIS : no HD1:sc= -0.0377 X(o=-0.038,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 179:sc= 1.13 (180deg=0.993) USER MOD Single : A 64 GLN : amide:sc= 0.913 K(o=0.91,f=-7.8!) USER MOD Single : A 65 ASN : amide:sc=-0.00515 X(o=-0.0052,f=-0.13) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -168:sc= -0.018 (180deg=-0.2) USER MOD Single : A 75 GLN : amide:sc= -0.0377 X(o=-0.038,f=0.042) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 7 6.053 -16.842 28.899 1.00 0.00 N ATOM 2 CA SER A 7 5.253 -16.662 27.693 1.00 0.00 C ATOM 3 C SER A 7 3.848 -17.131 28.032 1.00 0.00 C ATOM 4 O SER A 7 3.658 -18.268 28.479 1.00 0.00 O ATOM 5 CB SER A 7 5.852 -17.484 26.538 1.00 0.00 C ATOM 6 OG SER A 7 5.314 -17.113 25.275 1.00 0.00 O ATOM 0 HA SER A 7 5.239 -15.621 27.370 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.934 -17.350 26.523 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.664 -18.543 26.713 1.00 0.00 H new ATOM 0 HG SER A 7 5.724 -17.659 24.572 1.00 0.00 H new ATOM 12 N GLY A 8 2.873 -16.266 27.858 1.00 0.00 N ATOM 13 CA GLY A 8 1.524 -16.608 28.211 1.00 0.00 C ATOM 14 C GLY A 8 0.552 -16.073 27.202 1.00 0.00 C ATOM 15 O GLY A 8 0.954 -15.436 26.224 1.00 0.00 O ATOM 0 H GLY A 8 2.993 -15.328 27.476 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.425 -17.691 28.277 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.289 -16.206 29.196 1.00 0.00 H new ATOM 19 N ARG A 9 -0.715 -16.319 27.417 1.00 0.00 N ATOM 20 CA ARG A 9 -1.722 -15.859 26.499 1.00 0.00 C ATOM 21 C ARG A 9 -2.235 -14.491 26.879 1.00 0.00 C ATOM 22 O ARG A 9 -3.081 -14.350 27.764 1.00 0.00 O ATOM 23 CB ARG A 9 -2.896 -16.832 26.385 1.00 0.00 C ATOM 24 CG ARG A 9 -2.566 -18.182 25.781 1.00 0.00 C ATOM 25 CD ARG A 9 -2.014 -18.006 24.387 1.00 0.00 C ATOM 26 NE ARG A 9 -1.890 -19.259 23.654 1.00 0.00 N ATOM 27 CZ ARG A 9 -1.412 -19.344 22.416 1.00 0.00 C ATOM 28 NH1 ARG A 9 -0.786 -18.306 21.868 1.00 0.00 N ATOM 29 NH2 ARG A 9 -1.517 -20.482 21.749 1.00 0.00 N ATOM 0 H ARG A 9 -1.073 -16.836 28.220 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.236 -15.799 25.525 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.312 -16.990 27.380 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.676 -16.365 25.784 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.839 -18.701 26.406 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.461 -18.804 25.750 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.662 -17.330 23.830 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.035 -17.531 24.449 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.186 -20.119 24.116 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.672 -17.442 22.398 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.420 -18.374 20.918 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.963 -21.289 22.185 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.152 -20.552 20.799 1.00 0.00 H new ATOM 43 N GLU A 10 -1.686 -13.490 26.250 1.00 0.00 N ATOM 44 CA GLU A 10 -2.195 -12.152 26.395 1.00 0.00 C ATOM 45 C GLU A 10 -3.236 -11.948 25.315 1.00 0.00 C ATOM 46 O GLU A 10 -2.916 -11.638 24.169 1.00 0.00 O ATOM 47 CB GLU A 10 -1.098 -11.079 26.303 1.00 0.00 C ATOM 48 CG GLU A 10 -1.632 -9.642 26.298 1.00 0.00 C ATOM 49 CD GLU A 10 -2.372 -9.239 27.557 1.00 0.00 C ATOM 50 OE1 GLU A 10 -3.388 -9.865 27.927 1.00 0.00 O ATOM 51 OE2 GLU A 10 -1.959 -8.256 28.203 1.00 0.00 O ATOM 0 H GLU A 10 -0.882 -13.575 25.628 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.627 -12.041 27.390 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.415 -11.199 27.144 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.518 -11.244 25.395 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.796 -8.958 26.149 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.300 -9.520 25.445 1.00 0.00 H new ATOM 58 N ASN A 11 -4.466 -12.219 25.654 1.00 0.00 N ATOM 59 CA ASN A 11 -5.546 -12.041 24.720 1.00 0.00 C ATOM 60 C ASN A 11 -6.583 -11.107 25.263 1.00 0.00 C ATOM 61 O ASN A 11 -7.457 -11.486 26.041 1.00 0.00 O ATOM 62 CB ASN A 11 -6.176 -13.346 24.233 1.00 0.00 C ATOM 63 CG ASN A 11 -5.323 -14.073 23.219 1.00 0.00 C ATOM 64 OD1 ASN A 11 -5.448 -13.856 22.015 1.00 0.00 O ATOM 65 ND2 ASN A 11 -4.465 -14.950 23.682 1.00 0.00 N ATOM 0 H ASN A 11 -4.747 -12.565 26.572 1.00 0.00 H new ATOM 0 HA ASN A 11 -5.095 -11.590 23.836 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.350 -14.000 25.088 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.149 -13.131 23.793 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.876 -15.477 23.037 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -4.387 -15.105 24.687 1.00 0.00 H new ATOM 72 N LEU A 12 -6.391 -9.866 24.950 1.00 0.00 N ATOM 73 CA LEU A 12 -7.316 -8.815 25.218 1.00 0.00 C ATOM 74 C LEU A 12 -7.054 -7.837 24.124 1.00 0.00 C ATOM 75 O LEU A 12 -5.964 -7.858 23.545 1.00 0.00 O ATOM 76 CB LEU A 12 -7.174 -8.205 26.637 1.00 0.00 C ATOM 77 CG LEU A 12 -5.855 -7.517 27.030 1.00 0.00 C ATOM 78 CD1 LEU A 12 -5.703 -6.107 26.459 1.00 0.00 C ATOM 79 CD2 LEU A 12 -5.681 -7.512 28.536 1.00 0.00 C ATOM 0 H LEU A 12 -5.546 -9.544 24.479 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.348 -9.166 25.226 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.974 -7.476 26.762 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.355 -9.003 27.357 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.059 -8.109 26.579 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.750 -5.686 26.778 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.734 -6.150 25.370 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.517 -5.478 26.821 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.742 -7.021 28.792 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.510 -6.974 28.996 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.666 -8.538 28.904 1.00 0.00 H new ATOM 91 N TYR A 13 -7.980 -7.003 23.830 1.00 0.00 N ATOM 92 CA TYR A 13 -7.754 -6.081 22.761 1.00 0.00 C ATOM 93 C TYR A 13 -7.610 -4.686 23.321 1.00 0.00 C ATOM 94 O TYR A 13 -8.551 -4.118 23.880 1.00 0.00 O ATOM 95 CB TYR A 13 -8.824 -6.189 21.676 1.00 0.00 C ATOM 96 CG TYR A 13 -8.520 -5.359 20.453 1.00 0.00 C ATOM 97 CD1 TYR A 13 -9.330 -4.302 20.094 1.00 0.00 C ATOM 98 CD2 TYR A 13 -7.401 -5.628 19.668 1.00 0.00 C ATOM 99 CE1 TYR A 13 -9.041 -3.531 18.995 1.00 0.00 C ATOM 100 CE2 TYR A 13 -7.106 -4.862 18.560 1.00 0.00 C ATOM 101 CZ TYR A 13 -7.930 -3.810 18.229 1.00 0.00 C ATOM 102 OH TYR A 13 -7.642 -3.014 17.135 1.00 0.00 O ATOM 0 H TYR A 13 -8.884 -6.932 24.296 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.820 -6.336 22.261 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -8.928 -7.233 21.381 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.783 -5.877 22.089 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.205 -4.077 20.686 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.753 -6.451 19.932 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -9.685 -2.705 18.731 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.237 -5.085 17.958 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.827 -3.339 16.699 1.00 0.00 H new ATOM 112 N PHE A 14 -6.409 -4.182 23.219 1.00 0.00 N ATOM 113 CA PHE A 14 -6.069 -2.861 23.680 1.00 0.00 C ATOM 114 C PHE A 14 -6.359 -1.907 22.526 1.00 0.00 C ATOM 115 O PHE A 14 -6.503 -2.359 21.383 1.00 0.00 O ATOM 116 CB PHE A 14 -4.580 -2.853 24.081 1.00 0.00 C ATOM 117 CG PHE A 14 -4.076 -1.564 24.664 1.00 0.00 C ATOM 118 CD1 PHE A 14 -4.281 -1.267 25.999 1.00 0.00 C ATOM 119 CD2 PHE A 14 -3.396 -0.653 23.878 1.00 0.00 C ATOM 120 CE1 PHE A 14 -3.819 -0.081 26.534 1.00 0.00 C ATOM 121 CE2 PHE A 14 -2.937 0.532 24.407 1.00 0.00 C ATOM 122 CZ PHE A 14 -3.147 0.819 25.737 1.00 0.00 C ATOM 0 H PHE A 14 -5.625 -4.687 22.806 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.645 -2.555 24.553 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.412 -3.650 24.806 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.983 -3.092 23.201 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.807 -1.969 26.629 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.222 -0.874 22.835 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.985 0.141 27.578 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.412 1.237 23.779 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.786 1.747 26.154 1.00 0.00 H new ATOM 132 N GLN A 15 -6.480 -0.624 22.808 1.00 0.00 N ATOM 133 CA GLN A 15 -6.748 0.349 21.777 1.00 0.00 C ATOM 134 C GLN A 15 -5.550 0.480 20.839 1.00 0.00 C ATOM 135 O GLN A 15 -4.503 1.027 21.213 1.00 0.00 O ATOM 136 CB GLN A 15 -7.104 1.716 22.370 1.00 0.00 C ATOM 137 CG GLN A 15 -7.441 2.752 21.308 1.00 0.00 C ATOM 138 CD GLN A 15 -8.696 2.409 20.523 1.00 0.00 C ATOM 139 OE1 GLN A 15 -9.643 1.809 21.054 1.00 0.00 O ATOM 140 NE2 GLN A 15 -8.697 2.721 19.249 1.00 0.00 N ATOM 0 H GLN A 15 -6.396 -0.234 23.747 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.608 -0.005 21.209 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.953 1.604 23.044 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.267 2.076 22.969 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.571 3.724 21.784 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.602 2.844 20.619 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.902 3.215 18.844 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.493 2.470 18.663 1.00 0.00 H new ATOM 149 N GLY A 16 -5.705 -0.061 19.652 1.00 0.00 N ATOM 150 CA GLY A 16 -4.695 0.058 18.640 1.00 0.00 C ATOM 151 C GLY A 16 -4.826 1.403 17.972 1.00 0.00 C ATOM 152 O GLY A 16 -5.925 1.980 17.938 1.00 0.00 O ATOM 0 H GLY A 16 -6.529 -0.590 19.368 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.704 -0.048 19.082 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.803 -0.740 17.905 1.00 0.00 H new ATOM 156 N HIS A 17 -3.740 1.915 17.453 1.00 0.00 N ATOM 157 CA HIS A 17 -3.772 3.220 16.833 1.00 0.00 C ATOM 158 C HIS A 17 -4.182 3.085 15.377 1.00 0.00 C ATOM 159 O HIS A 17 -3.787 2.124 14.701 1.00 0.00 O ATOM 160 CB HIS A 17 -2.405 3.943 16.946 1.00 0.00 C ATOM 161 CG HIS A 17 -1.276 3.404 16.095 1.00 0.00 C ATOM 162 ND1 HIS A 17 -0.571 4.172 15.188 1.00 0.00 N ATOM 163 CD2 HIS A 17 -0.733 2.162 16.021 1.00 0.00 C ATOM 164 CE1 HIS A 17 0.343 3.403 14.602 1.00 0.00 C ATOM 165 NE2 HIS A 17 0.291 2.166 15.073 1.00 0.00 N ATOM 0 H HIS A 17 -2.829 1.456 17.445 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.506 3.828 17.362 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -2.553 4.992 16.689 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.089 3.912 17.989 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.044 1.307 16.603 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.034 3.742 13.844 1.00 0.00 H new ATOM 0 HE2 HIS A 17 0.879 1.378 14.799 1.00 0.00 H new ATOM 173 N MET A 18 -4.980 4.007 14.895 1.00 0.00 N ATOM 174 CA MET A 18 -5.309 4.002 13.496 1.00 0.00 C ATOM 175 C MET A 18 -4.186 4.787 12.848 1.00 0.00 C ATOM 176 O MET A 18 -3.888 5.914 13.262 1.00 0.00 O ATOM 177 CB MET A 18 -6.680 4.621 13.221 1.00 0.00 C ATOM 178 CG MET A 18 -7.167 4.393 11.797 1.00 0.00 C ATOM 179 SD MET A 18 -8.791 5.113 11.498 1.00 0.00 S ATOM 180 CE MET A 18 -9.085 4.595 9.807 1.00 0.00 C ATOM 0 H MET A 18 -5.405 4.756 15.441 1.00 0.00 H new ATOM 0 HA MET A 18 -5.389 2.991 13.096 1.00 0.00 H new ATOM 0 HB2 MET A 18 -7.406 4.203 13.918 1.00 0.00 H new ATOM 0 HB3 MET A 18 -6.633 5.693 13.415 1.00 0.00 H new ATOM 0 HG2 MET A 18 -6.449 4.822 11.098 1.00 0.00 H new ATOM 0 HG3 MET A 18 -7.206 3.322 11.597 1.00 0.00 H new ATOM 0 HE1 MET A 18 -10.056 4.965 9.477 1.00 0.00 H new ATOM 0 HE2 MET A 18 -8.304 4.998 9.162 1.00 0.00 H new ATOM 0 HE3 MET A 18 -9.074 3.506 9.753 1.00 0.00 H new ATOM 190 N ALA A 19 -3.546 4.186 11.884 1.00 0.00 N ATOM 191 CA ALA A 19 -2.331 4.725 11.330 1.00 0.00 C ATOM 192 C ALA A 19 -2.502 5.961 10.474 1.00 0.00 C ATOM 193 O ALA A 19 -3.065 5.919 9.372 1.00 0.00 O ATOM 194 CB ALA A 19 -1.562 3.664 10.567 1.00 0.00 C ATOM 0 H ALA A 19 -3.850 3.310 11.459 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.760 5.052 12.199 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.649 4.099 10.160 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.305 2.846 11.240 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.178 3.284 9.752 1.00 0.00 H new ATOM 200 N ALA A 20 -2.064 7.067 11.025 1.00 0.00 N ATOM 201 CA ALA A 20 -1.845 8.258 10.254 1.00 0.00 C ATOM 202 C ALA A 20 -0.446 7.994 9.741 1.00 0.00 C ATOM 203 O ALA A 20 0.378 7.608 10.573 1.00 0.00 O ATOM 204 CB ALA A 20 -1.866 9.496 11.138 1.00 0.00 C ATOM 0 H ALA A 20 -1.851 7.163 12.018 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.594 8.446 9.484 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.697 10.383 10.527 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.835 9.574 11.631 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.081 9.419 11.890 1.00 0.00 H new ATOM 210 N PRO A 21 -0.175 8.172 8.423 1.00 0.00 N ATOM 211 CA PRO A 21 1.052 7.773 7.723 1.00 0.00 C ATOM 212 C PRO A 21 2.216 7.315 8.612 1.00 0.00 C ATOM 213 O PRO A 21 3.052 8.104 9.051 1.00 0.00 O ATOM 214 CB PRO A 21 1.351 9.026 6.925 1.00 0.00 C ATOM 215 CG PRO A 21 -0.009 9.557 6.560 1.00 0.00 C ATOM 216 CD PRO A 21 -1.028 8.887 7.469 1.00 0.00 C ATOM 0 HA PRO A 21 0.917 6.871 7.126 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.917 9.748 7.513 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.944 8.803 6.038 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.042 10.640 6.682 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.233 9.347 5.514 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.671 9.614 7.965 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.680 8.208 6.919 1.00 0.00 H new ATOM 224 N ALA A 22 2.217 6.009 8.877 1.00 0.00 N ATOM 225 CA ALA A 22 3.112 5.324 9.825 1.00 0.00 C ATOM 226 C ALA A 22 4.562 5.167 9.370 1.00 0.00 C ATOM 227 O ALA A 22 5.269 4.270 9.814 1.00 0.00 O ATOM 228 CB ALA A 22 2.512 3.981 10.207 1.00 0.00 C ATOM 0 H ALA A 22 1.569 5.367 8.420 1.00 0.00 H new ATOM 0 HA ALA A 22 3.179 5.980 10.693 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.174 3.473 10.909 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.539 4.137 10.673 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.392 3.369 9.313 1.00 0.00 H new ATOM 234 N ARG A 23 4.993 6.066 8.515 1.00 0.00 N ATOM 235 CA ARG A 23 6.388 6.191 8.071 1.00 0.00 C ATOM 236 C ARG A 23 6.975 4.920 7.409 1.00 0.00 C ATOM 237 O ARG A 23 8.191 4.749 7.325 1.00 0.00 O ATOM 238 CB ARG A 23 7.238 6.645 9.266 1.00 0.00 C ATOM 239 CG ARG A 23 6.701 7.908 9.935 1.00 0.00 C ATOM 240 CD ARG A 23 7.550 8.310 11.119 1.00 0.00 C ATOM 241 NE ARG A 23 6.977 9.422 11.882 1.00 0.00 N ATOM 242 CZ ARG A 23 7.606 10.077 12.861 1.00 0.00 C ATOM 243 NH1 ARG A 23 8.888 9.832 13.112 1.00 0.00 N ATOM 244 NH2 ARG A 23 6.965 11.011 13.555 1.00 0.00 N ATOM 0 H ARG A 23 4.375 6.757 8.089 1.00 0.00 H new ATOM 0 HA ARG A 23 6.408 6.935 7.275 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.280 5.841 10.001 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.260 6.824 8.931 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.676 8.722 9.211 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.675 7.740 10.262 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.675 7.451 11.778 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.543 8.591 10.769 1.00 0.00 H new ATOM 0 HE ARG A 23 6.029 9.717 11.648 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.394 9.142 12.556 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.366 10.334 13.860 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.992 11.228 13.340 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.446 11.511 14.303 1.00 0.00 H new ATOM 258 N SER A 24 6.134 4.050 6.903 1.00 0.00 N ATOM 259 CA SER A 24 6.565 2.865 6.177 1.00 0.00 C ATOM 260 C SER A 24 5.433 2.451 5.257 1.00 0.00 C ATOM 261 O SER A 24 4.287 2.575 5.660 1.00 0.00 O ATOM 262 CB SER A 24 6.877 1.720 7.156 1.00 0.00 C ATOM 263 OG SER A 24 7.939 2.056 8.040 1.00 0.00 O ATOM 0 H SER A 24 5.121 4.140 6.981 1.00 0.00 H new ATOM 0 HA SER A 24 7.469 3.083 5.608 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.984 1.483 7.734 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.141 0.824 6.595 1.00 0.00 H new ATOM 0 HG SER A 24 8.108 1.306 8.648 1.00 0.00 H new ATOM 269 N CYS A 25 5.727 1.967 4.063 1.00 0.00 N ATOM 270 CA CYS A 25 4.704 1.524 3.159 1.00 0.00 C ATOM 271 C CYS A 25 4.806 0.030 3.132 1.00 0.00 C ATOM 272 O CYS A 25 5.889 -0.539 3.013 1.00 0.00 O ATOM 273 CB CYS A 25 4.872 2.123 1.765 1.00 0.00 C ATOM 274 SG CYS A 25 4.568 3.921 1.689 1.00 0.00 S ATOM 0 H CYS A 25 6.677 1.874 3.704 1.00 0.00 H new ATOM 0 HA CYS A 25 3.719 1.852 3.492 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.884 1.921 1.413 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.190 1.620 1.080 1.00 0.00 H new ATOM 279 N VAL A 26 3.692 -0.598 3.301 1.00 0.00 N ATOM 280 CA VAL A 26 3.633 -2.017 3.478 1.00 0.00 C ATOM 281 C VAL A 26 2.840 -2.587 2.357 1.00 0.00 C ATOM 282 O VAL A 26 1.688 -2.213 2.157 1.00 0.00 O ATOM 283 CB VAL A 26 2.951 -2.304 4.814 1.00 0.00 C ATOM 284 CG1 VAL A 26 3.152 -3.706 5.290 1.00 0.00 C ATOM 285 CG2 VAL A 26 3.473 -1.363 5.824 1.00 0.00 C ATOM 0 H VAL A 26 2.782 -0.138 3.321 1.00 0.00 H new ATOM 0 HA VAL A 26 4.628 -2.462 3.481 1.00 0.00 H new ATOM 0 HB VAL A 26 1.879 -2.175 4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.642 -3.843 6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.743 -4.401 4.557 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.217 -3.898 5.417 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.994 -1.557 6.784 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.550 -1.496 5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.261 -0.340 5.513 1.00 0.00 H new ATOM 295 N TYR A 27 3.468 -3.459 1.638 1.00 0.00 N ATOM 296 CA TYR A 27 2.903 -4.013 0.448 1.00 0.00 C ATOM 297 C TYR A 27 2.074 -5.218 0.781 1.00 0.00 C ATOM 298 O TYR A 27 2.499 -6.104 1.537 1.00 0.00 O ATOM 299 CB TYR A 27 4.017 -4.304 -0.566 1.00 0.00 C ATOM 300 CG TYR A 27 4.759 -3.031 -0.921 1.00 0.00 C ATOM 301 CD1 TYR A 27 5.772 -2.547 -0.106 1.00 0.00 C ATOM 302 CD2 TYR A 27 4.408 -2.284 -2.031 1.00 0.00 C ATOM 303 CE1 TYR A 27 6.404 -1.359 -0.384 1.00 0.00 C ATOM 304 CE2 TYR A 27 5.054 -1.096 -2.318 1.00 0.00 C ATOM 305 CZ TYR A 27 6.045 -0.639 -1.489 1.00 0.00 C ATOM 306 OH TYR A 27 6.674 0.554 -1.766 1.00 0.00 O ATOM 0 H TYR A 27 4.399 -3.812 1.862 1.00 0.00 H new ATOM 0 HA TYR A 27 2.229 -3.295 -0.019 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.713 -5.033 -0.151 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.591 -4.746 -1.466 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.069 -3.115 0.763 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.620 -2.633 -2.681 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.183 -0.995 0.269 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.778 -0.529 -3.195 1.00 0.00 H new ATOM 0 HH TYR A 27 6.301 0.937 -2.587 1.00 0.00 H new ATOM 316 N TYR A 28 0.880 -5.211 0.268 1.00 0.00 N ATOM 317 CA TYR A 28 -0.058 -6.256 0.457 1.00 0.00 C ATOM 318 C TYR A 28 -0.567 -6.717 -0.879 1.00 0.00 C ATOM 319 O TYR A 28 -0.811 -5.911 -1.774 1.00 0.00 O ATOM 320 CB TYR A 28 -1.273 -5.793 1.256 1.00 0.00 C ATOM 321 CG TYR A 28 -1.038 -5.416 2.703 1.00 0.00 C ATOM 322 CD1 TYR A 28 -1.093 -6.387 3.685 1.00 0.00 C ATOM 323 CD2 TYR A 28 -0.795 -4.107 3.094 1.00 0.00 C ATOM 324 CE1 TYR A 28 -0.914 -6.083 5.014 1.00 0.00 C ATOM 325 CE2 TYR A 28 -0.607 -3.796 4.423 1.00 0.00 C ATOM 326 CZ TYR A 28 -0.667 -4.780 5.381 1.00 0.00 C ATOM 327 OH TYR A 28 -0.494 -4.456 6.714 1.00 0.00 O ATOM 0 H TYR A 28 0.529 -4.449 -0.311 1.00 0.00 H new ATOM 0 HA TYR A 28 0.455 -7.051 0.998 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.706 -4.932 0.747 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.019 -6.587 1.229 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.282 -7.412 3.401 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.753 -3.325 2.350 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.967 -6.860 5.763 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.412 -2.774 4.713 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.327 -3.494 6.798 1.00 0.00 H new ATOM 337 N ASP A 29 -0.695 -8.000 -1.008 1.00 0.00 N ATOM 338 CA ASP A 29 -1.350 -8.598 -2.153 1.00 0.00 C ATOM 339 C ASP A 29 -2.805 -8.626 -1.802 1.00 0.00 C ATOM 340 O ASP A 29 -3.228 -9.415 -0.961 1.00 0.00 O ATOM 341 CB ASP A 29 -0.819 -10.008 -2.359 1.00 0.00 C ATOM 342 CG ASP A 29 -1.640 -10.918 -3.273 1.00 0.00 C ATOM 343 OD1 ASP A 29 -2.281 -10.461 -4.237 1.00 0.00 O ATOM 344 OD2 ASP A 29 -1.632 -12.155 -3.055 1.00 0.00 O ATOM 0 H ASP A 29 -0.350 -8.674 -0.325 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.173 -8.045 -3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.190 -9.937 -2.765 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.737 -10.488 -1.384 1.00 0.00 H new ATOM 349 N GLY A 30 -3.546 -7.714 -2.347 1.00 0.00 N ATOM 350 CA GLY A 30 -4.920 -7.663 -2.013 1.00 0.00 C ATOM 351 C GLY A 30 -5.748 -6.930 -3.001 1.00 0.00 C ATOM 352 O GLY A 30 -5.501 -5.780 -3.374 1.00 0.00 O ATOM 0 H GLY A 30 -3.225 -7.010 -3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.300 -8.680 -1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.030 -7.189 -1.037 1.00 0.00 H new ATOM 356 N HIS A 31 -6.748 -7.625 -3.391 1.00 0.00 N ATOM 357 CA HIS A 31 -7.753 -7.164 -4.294 1.00 0.00 C ATOM 358 C HIS A 31 -8.831 -6.564 -3.396 1.00 0.00 C ATOM 359 O HIS A 31 -9.520 -5.610 -3.749 1.00 0.00 O ATOM 360 CB HIS A 31 -8.270 -8.382 -5.073 1.00 0.00 C ATOM 361 CG HIS A 31 -8.960 -8.078 -6.361 1.00 0.00 C ATOM 362 ND1 HIS A 31 -10.207 -8.544 -6.705 1.00 0.00 N ATOM 363 CD2 HIS A 31 -8.502 -7.407 -7.439 1.00 0.00 C ATOM 364 CE1 HIS A 31 -10.464 -8.157 -7.956 1.00 0.00 C ATOM 365 NE2 HIS A 31 -9.456 -7.461 -8.449 1.00 0.00 N ATOM 0 H HIS A 31 -6.904 -8.583 -3.077 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.408 -6.428 -5.020 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -7.428 -9.043 -5.280 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -8.959 -8.934 -4.434 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.547 -6.908 -7.506 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.374 -8.383 -8.493 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -9.391 -7.048 -9.379 1.00 0.00 H new ATOM 373 N LEU A 32 -8.930 -7.129 -2.197 1.00 0.00 N ATOM 374 CA LEU A 32 -9.822 -6.680 -1.158 1.00 0.00 C ATOM 375 C LEU A 32 -8.971 -6.600 0.109 1.00 0.00 C ATOM 376 O LEU A 32 -8.243 -7.556 0.394 1.00 0.00 O ATOM 377 CB LEU A 32 -10.953 -7.698 -0.960 1.00 0.00 C ATOM 378 CG LEU A 32 -12.010 -7.341 0.089 1.00 0.00 C ATOM 379 CD1 LEU A 32 -12.888 -6.194 -0.384 1.00 0.00 C ATOM 380 CD2 LEU A 32 -12.845 -8.555 0.456 1.00 0.00 C ATOM 0 H LEU A 32 -8.370 -7.936 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.278 -5.721 -1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.455 -7.842 -1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.508 -8.655 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.489 -7.010 0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.629 -5.963 0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.270 -5.315 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.395 -6.480 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.588 -8.274 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.350 -8.932 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.198 -9.332 0.863 1.00 0.00 H new ATOM 392 N PRO A 33 -9.028 -5.500 0.890 1.00 0.00 N ATOM 393 CA PRO A 33 -8.202 -5.338 2.104 1.00 0.00 C ATOM 394 C PRO A 33 -8.495 -6.376 3.195 1.00 0.00 C ATOM 395 O PRO A 33 -7.711 -6.558 4.110 1.00 0.00 O ATOM 396 CB PRO A 33 -8.526 -3.928 2.601 1.00 0.00 C ATOM 397 CG PRO A 33 -9.818 -3.572 1.964 1.00 0.00 C ATOM 398 CD PRO A 33 -9.868 -4.307 0.657 1.00 0.00 C ATOM 0 HA PRO A 33 -7.148 -5.486 1.869 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.604 -3.903 3.688 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.743 -3.223 2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.655 -3.857 2.601 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.889 -2.496 1.806 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.889 -4.582 0.392 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.480 -3.698 -0.159 1.00 0.00 H new ATOM 406 N ALA A 34 -9.616 -7.059 3.097 1.00 0.00 N ATOM 407 CA ALA A 34 -9.945 -8.087 4.070 1.00 0.00 C ATOM 408 C ALA A 34 -9.074 -9.329 3.896 1.00 0.00 C ATOM 409 O ALA A 34 -8.607 -9.910 4.868 1.00 0.00 O ATOM 410 CB ALA A 34 -11.412 -8.458 3.995 1.00 0.00 C ATOM 0 H ALA A 34 -10.311 -6.925 2.362 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.742 -7.671 5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.631 -9.229 4.734 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.021 -7.577 4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.641 -8.835 2.998 1.00 0.00 H new ATOM 416 N THR A 35 -8.805 -9.687 2.656 1.00 0.00 N ATOM 417 CA THR A 35 -8.078 -10.908 2.360 1.00 0.00 C ATOM 418 C THR A 35 -6.682 -10.586 1.813 1.00 0.00 C ATOM 419 O THR A 35 -6.033 -11.420 1.179 1.00 0.00 O ATOM 420 CB THR A 35 -8.915 -11.795 1.391 1.00 0.00 C ATOM 421 OG1 THR A 35 -8.266 -13.038 1.071 1.00 0.00 O ATOM 422 CG2 THR A 35 -9.282 -11.054 0.116 1.00 0.00 C ATOM 0 H THR A 35 -9.079 -9.149 1.834 1.00 0.00 H new ATOM 0 HA THR A 35 -7.927 -11.478 3.277 1.00 0.00 H new ATOM 0 HB THR A 35 -9.832 -12.032 1.930 1.00 0.00 H new ATOM 0 HG1 THR A 35 -7.299 -12.894 1.002 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.865 -11.710 -0.531 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.872 -10.172 0.365 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.373 -10.749 -0.402 1.00 0.00 H new ATOM 430 N ARG A 36 -6.228 -9.378 2.103 1.00 0.00 N ATOM 431 CA ARG A 36 -4.896 -8.907 1.715 1.00 0.00 C ATOM 432 C ARG A 36 -3.803 -9.810 2.323 1.00 0.00 C ATOM 433 O ARG A 36 -4.011 -10.440 3.373 1.00 0.00 O ATOM 434 CB ARG A 36 -4.707 -7.473 2.204 1.00 0.00 C ATOM 435 CG ARG A 36 -4.756 -7.354 3.715 1.00 0.00 C ATOM 436 CD ARG A 36 -4.655 -5.925 4.192 1.00 0.00 C ATOM 437 NE ARG A 36 -4.704 -5.857 5.652 1.00 0.00 N ATOM 438 CZ ARG A 36 -4.441 -4.760 6.371 1.00 0.00 C ATOM 439 NH1 ARG A 36 -4.284 -3.603 5.753 1.00 0.00 N ATOM 440 NH2 ARG A 36 -4.382 -4.824 7.698 1.00 0.00 N ATOM 0 H ARG A 36 -6.773 -8.686 2.618 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.811 -8.943 0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.749 -7.095 1.846 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.482 -6.841 1.769 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.687 -7.789 4.079 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.942 -7.935 4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.725 -5.483 3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.470 -5.338 3.769 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.957 -6.706 6.158 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.364 -3.552 4.737 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.083 -2.760 6.291 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.538 -5.713 8.173 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.181 -3.984 8.241 1.00 0.00 H new ATOM 454 N VAL A 37 -2.655 -9.883 1.683 1.00 0.00 N ATOM 455 CA VAL A 37 -1.576 -10.725 2.162 1.00 0.00 C ATOM 456 C VAL A 37 -0.385 -9.837 2.429 1.00 0.00 C ATOM 457 O VAL A 37 -0.017 -9.036 1.571 1.00 0.00 O ATOM 458 CB VAL A 37 -1.193 -11.813 1.124 1.00 0.00 C ATOM 459 CG1 VAL A 37 -0.093 -12.733 1.637 1.00 0.00 C ATOM 460 CG2 VAL A 37 -2.409 -12.619 0.695 1.00 0.00 C ATOM 0 H VAL A 37 -2.443 -9.369 0.828 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.897 -11.240 3.067 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.802 -11.291 0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.142 -13.478 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.799 -12.146 1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.431 -13.234 2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.108 -13.373 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.846 -13.109 1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.146 -11.954 0.244 1.00 0.00 H new ATOM 470 N LEU A 38 0.182 -9.955 3.605 1.00 0.00 N ATOM 471 CA LEU A 38 1.321 -9.162 4.005 1.00 0.00 C ATOM 472 C LEU A 38 2.524 -9.610 3.190 1.00 0.00 C ATOM 473 O LEU A 38 2.965 -10.751 3.308 1.00 0.00 O ATOM 474 CB LEU A 38 1.539 -9.349 5.527 1.00 0.00 C ATOM 475 CG LEU A 38 2.601 -8.493 6.256 1.00 0.00 C ATOM 476 CD1 LEU A 38 4.035 -8.894 5.933 1.00 0.00 C ATOM 477 CD2 LEU A 38 2.389 -7.029 5.948 1.00 0.00 C ATOM 0 H LEU A 38 -0.137 -10.610 4.319 1.00 0.00 H new ATOM 0 HA LEU A 38 1.163 -8.100 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.582 -9.170 6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.793 -10.396 5.694 1.00 0.00 H new ATOM 0 HG LEU A 38 2.464 -8.676 7.322 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.725 -8.251 6.480 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.197 -9.931 6.225 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.210 -8.787 4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.142 -6.435 6.466 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.476 -6.867 4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.396 -6.727 6.282 1.00 0.00 H new ATOM 489 N LEU A 39 3.011 -8.752 2.319 1.00 0.00 N ATOM 490 CA LEU A 39 4.176 -9.101 1.547 1.00 0.00 C ATOM 491 C LEU A 39 5.425 -8.652 2.282 1.00 0.00 C ATOM 492 O LEU A 39 6.219 -9.486 2.718 1.00 0.00 O ATOM 493 CB LEU A 39 4.115 -8.475 0.149 1.00 0.00 C ATOM 494 CG LEU A 39 2.905 -8.872 -0.701 1.00 0.00 C ATOM 495 CD1 LEU A 39 2.934 -8.175 -2.050 1.00 0.00 C ATOM 496 CD2 LEU A 39 2.858 -10.379 -0.880 1.00 0.00 C ATOM 0 H LEU A 39 2.625 -7.826 2.132 1.00 0.00 H new ATOM 0 HA LEU A 39 4.205 -10.184 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.121 -7.390 0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.021 -8.748 -0.392 1.00 0.00 H new ATOM 0 HG LEU A 39 2.003 -8.554 -0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.063 -8.475 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.917 -7.095 -1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.842 -8.454 -2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.993 -10.647 -1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.768 -10.715 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.780 -10.859 0.095 1.00 0.00 H new ATOM 508 N MET A 40 5.555 -7.347 2.500 1.00 0.00 N ATOM 509 CA MET A 40 6.722 -6.807 3.154 1.00 0.00 C ATOM 510 C MET A 40 6.531 -5.336 3.549 1.00 0.00 C ATOM 511 O MET A 40 5.796 -4.594 2.887 1.00 0.00 O ATOM 512 CB MET A 40 7.940 -6.942 2.232 1.00 0.00 C ATOM 513 CG MET A 40 9.222 -6.645 2.964 1.00 0.00 C ATOM 514 SD MET A 40 10.730 -7.177 2.124 1.00 0.00 S ATOM 515 CE MET A 40 10.624 -6.262 0.598 1.00 0.00 C ATOM 0 H MET A 40 4.861 -6.650 2.230 1.00 0.00 H new ATOM 0 HA MET A 40 6.882 -7.377 4.070 1.00 0.00 H new ATOM 0 HB2 MET A 40 7.978 -7.952 1.824 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.836 -6.261 1.388 1.00 0.00 H new ATOM 0 HG2 MET A 40 9.282 -5.571 3.137 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.182 -7.124 3.942 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.612 -6.199 0.142 1.00 0.00 H new ATOM 0 HE2 MET A 40 9.942 -6.769 -0.084 1.00 0.00 H new ATOM 0 HE3 MET A 40 10.253 -5.257 0.801 1.00 0.00 H new ATOM 525 N TYR A 41 7.174 -4.954 4.646 1.00 0.00 N ATOM 526 CA TYR A 41 7.225 -3.579 5.147 1.00 0.00 C ATOM 527 C TYR A 41 8.423 -2.873 4.518 1.00 0.00 C ATOM 528 O TYR A 41 9.516 -3.444 4.461 1.00 0.00 O ATOM 529 CB TYR A 41 7.429 -3.568 6.674 1.00 0.00 C ATOM 530 CG TYR A 41 6.271 -4.046 7.528 1.00 0.00 C ATOM 531 CD1 TYR A 41 5.660 -3.176 8.412 1.00 0.00 C ATOM 532 CD2 TYR A 41 5.790 -5.348 7.464 1.00 0.00 C ATOM 533 CE1 TYR A 41 4.605 -3.584 9.199 1.00 0.00 C ATOM 534 CE2 TYR A 41 4.734 -5.759 8.253 1.00 0.00 C ATOM 535 CZ TYR A 41 4.146 -4.866 9.118 1.00 0.00 C ATOM 536 OH TYR A 41 3.079 -5.250 9.901 1.00 0.00 O ATOM 0 H TYR A 41 7.691 -5.610 5.232 1.00 0.00 H new ATOM 0 HA TYR A 41 6.289 -3.081 4.896 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.297 -4.186 6.904 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.674 -2.550 6.975 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.016 -2.159 8.487 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.250 -6.051 6.785 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.141 -2.887 9.881 1.00 0.00 H new ATOM 0 HE2 TYR A 41 4.372 -6.775 8.191 1.00 0.00 H new ATOM 0 HH TYR A 41 2.869 -6.192 9.729 1.00 0.00 H new ATOM 546 N VAL A 42 8.221 -1.669 4.016 1.00 0.00 N ATOM 547 CA VAL A 42 9.300 -0.877 3.437 1.00 0.00 C ATOM 548 C VAL A 42 9.298 0.515 4.037 1.00 0.00 C ATOM 549 O VAL A 42 8.266 1.161 4.067 1.00 0.00 O ATOM 550 CB VAL A 42 9.162 -0.742 1.904 1.00 0.00 C ATOM 551 CG1 VAL A 42 10.317 0.052 1.303 1.00 0.00 C ATOM 552 CG2 VAL A 42 9.094 -2.104 1.273 1.00 0.00 C ATOM 0 H VAL A 42 7.310 -1.211 3.996 1.00 0.00 H new ATOM 0 HA VAL A 42 10.232 -1.396 3.661 1.00 0.00 H new ATOM 0 HB VAL A 42 8.240 -0.198 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.185 0.126 0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.335 1.052 1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.258 -0.454 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.997 -2.000 0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.004 -2.658 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.232 -2.644 1.665 1.00 0.00 H new ATOM 562 N ARG A 43 10.425 0.955 4.546 1.00 0.00 N ATOM 563 CA ARG A 43 10.565 2.301 5.052 1.00 0.00 C ATOM 564 C ARG A 43 10.361 3.344 3.996 1.00 0.00 C ATOM 565 O ARG A 43 10.645 3.134 2.816 1.00 0.00 O ATOM 566 CB ARG A 43 11.937 2.534 5.642 1.00 0.00 C ATOM 567 CG ARG A 43 12.103 2.061 7.053 1.00 0.00 C ATOM 568 CD ARG A 43 11.180 2.813 7.977 1.00 0.00 C ATOM 569 NE ARG A 43 11.435 4.256 7.938 1.00 0.00 N ATOM 570 CZ ARG A 43 10.912 5.151 8.774 1.00 0.00 C ATOM 571 NH1 ARG A 43 10.223 4.744 9.840 1.00 0.00 N ATOM 572 NH2 ARG A 43 11.122 6.448 8.571 1.00 0.00 N ATOM 0 H ARG A 43 11.271 0.390 4.621 1.00 0.00 H new ATOM 0 HA ARG A 43 9.791 2.394 5.814 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.676 2.033 5.017 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.157 3.601 5.603 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.893 0.993 7.111 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.137 2.201 7.370 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.145 2.618 7.696 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.308 2.448 8.996 1.00 0.00 H new ATOM 0 HE ARG A 43 12.063 4.602 7.213 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.096 3.747 10.015 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.822 5.429 10.480 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.683 6.756 7.776 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.722 7.135 9.210 1.00 0.00 H new ATOM 586 N ILE A 44 9.848 4.460 4.436 1.00 0.00 N ATOM 587 CA ILE A 44 9.733 5.606 3.532 1.00 0.00 C ATOM 588 C ILE A 44 11.151 6.085 3.246 1.00 0.00 C ATOM 589 O ILE A 44 11.899 6.435 4.164 1.00 0.00 O ATOM 590 CB ILE A 44 8.923 6.807 4.069 1.00 0.00 C ATOM 591 CG1 ILE A 44 7.573 6.372 4.619 1.00 0.00 C ATOM 592 CG2 ILE A 44 8.716 7.846 2.965 1.00 0.00 C ATOM 593 CD1 ILE A 44 6.559 5.802 3.651 1.00 0.00 C ATOM 0 H ILE A 44 9.507 4.614 5.385 1.00 0.00 H new ATOM 0 HA ILE A 44 9.186 5.258 2.656 1.00 0.00 H new ATOM 0 HB ILE A 44 9.497 7.249 4.883 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.753 5.625 5.392 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.119 7.234 5.108 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.144 8.686 3.359 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.685 8.200 2.612 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.172 7.393 2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.649 5.539 4.190 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.326 6.545 2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.970 4.911 3.176 1.00 0.00 H new ATOM 605 N GLY A 45 11.508 6.092 2.007 1.00 0.00 N ATOM 606 CA GLY A 45 12.834 6.488 1.594 1.00 0.00 C ATOM 607 C GLY A 45 13.699 5.279 1.340 1.00 0.00 C ATOM 608 O GLY A 45 14.936 5.376 1.258 1.00 0.00 O ATOM 0 H GLY A 45 10.893 5.824 1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.773 7.093 0.690 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.289 7.111 2.364 1.00 0.00 H new ATOM 612 N ASN A 46 13.063 4.147 1.216 1.00 0.00 N ATOM 613 CA ASN A 46 13.750 2.897 1.025 1.00 0.00 C ATOM 614 C ASN A 46 13.183 2.202 -0.185 1.00 0.00 C ATOM 615 O ASN A 46 12.030 2.426 -0.584 1.00 0.00 O ATOM 616 CB ASN A 46 13.619 2.095 2.310 1.00 0.00 C ATOM 617 CG ASN A 46 14.297 0.735 2.454 1.00 0.00 C ATOM 618 OD1 ASN A 46 14.453 -0.044 1.539 1.00 0.00 O ATOM 619 ND2 ASN A 46 14.711 0.443 3.660 1.00 0.00 N ATOM 0 H ASN A 46 12.047 4.064 1.245 1.00 0.00 H new ATOM 0 HA ASN A 46 14.813 3.033 0.828 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.988 2.724 3.120 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.554 1.942 2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.171 -0.449 3.839 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.573 1.108 4.421 1.00 0.00 H new ATOM 626 N THR A 47 13.998 1.391 -0.761 1.00 0.00 N ATOM 627 CA THR A 47 13.664 0.671 -1.948 1.00 0.00 C ATOM 628 C THR A 47 13.697 -0.807 -1.679 1.00 0.00 C ATOM 629 O THR A 47 14.542 -1.290 -0.934 1.00 0.00 O ATOM 630 CB THR A 47 14.614 0.977 -3.094 1.00 0.00 C ATOM 631 OG1 THR A 47 15.990 0.954 -2.642 1.00 0.00 O ATOM 632 CG2 THR A 47 14.301 2.291 -3.781 1.00 0.00 C ATOM 0 H THR A 47 14.939 1.202 -0.415 1.00 0.00 H new ATOM 0 HA THR A 47 12.662 0.987 -2.239 1.00 0.00 H new ATOM 0 HB THR A 47 14.471 0.191 -3.835 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.585 1.152 -3.395 1.00 0.00 H new ATOM 0 HG21 THR A 47 15.012 2.457 -4.591 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.290 2.258 -4.187 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.376 3.105 -3.060 1.00 0.00 H new ATOM 640 N ALA A 48 12.827 -1.519 -2.315 1.00 0.00 N ATOM 641 CA ALA A 48 12.718 -2.945 -2.054 1.00 0.00 C ATOM 642 C ALA A 48 12.288 -3.708 -3.275 1.00 0.00 C ATOM 643 O ALA A 48 11.774 -3.139 -4.217 1.00 0.00 O ATOM 644 CB ALA A 48 11.749 -3.194 -0.913 1.00 0.00 C ATOM 0 H ALA A 48 12.180 -1.156 -3.015 1.00 0.00 H new ATOM 0 HA ALA A 48 13.708 -3.305 -1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.675 -4.265 -0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.109 -2.693 -0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.767 -2.803 -1.178 1.00 0.00 H new ATOM 650 N THR A 49 12.529 -4.985 -3.251 1.00 0.00 N ATOM 651 CA THR A 49 12.146 -5.887 -4.304 1.00 0.00 C ATOM 652 C THR A 49 11.153 -6.885 -3.724 1.00 0.00 C ATOM 653 O THR A 49 11.480 -7.631 -2.803 1.00 0.00 O ATOM 654 CB THR A 49 13.393 -6.601 -4.844 1.00 0.00 C ATOM 655 OG1 THR A 49 14.351 -5.595 -5.198 1.00 0.00 O ATOM 656 CG2 THR A 49 13.063 -7.429 -6.074 1.00 0.00 C ATOM 0 H THR A 49 13.011 -5.444 -2.478 1.00 0.00 H new ATOM 0 HA THR A 49 11.682 -5.350 -5.132 1.00 0.00 H new ATOM 0 HB THR A 49 13.784 -7.274 -4.081 1.00 0.00 H new ATOM 0 HG1 THR A 49 15.161 -6.023 -5.546 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.966 -7.923 -6.433 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.316 -8.181 -5.817 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.669 -6.779 -6.855 1.00 0.00 H new ATOM 664 N ILE A 50 9.936 -6.842 -4.213 1.00 0.00 N ATOM 665 CA ILE A 50 8.883 -7.703 -3.717 1.00 0.00 C ATOM 666 C ILE A 50 8.663 -8.793 -4.729 1.00 0.00 C ATOM 667 O ILE A 50 8.209 -8.506 -5.825 1.00 0.00 O ATOM 668 CB ILE A 50 7.520 -6.969 -3.630 1.00 0.00 C ATOM 669 CG1 ILE A 50 7.662 -5.500 -3.218 1.00 0.00 C ATOM 670 CG2 ILE A 50 6.598 -7.699 -2.659 1.00 0.00 C ATOM 671 CD1 ILE A 50 8.279 -5.285 -1.866 1.00 0.00 C ATOM 0 H ILE A 50 9.647 -6.213 -4.962 1.00 0.00 H new ATOM 0 HA ILE A 50 9.189 -8.055 -2.732 1.00 0.00 H new ATOM 0 HB ILE A 50 7.088 -6.977 -4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.266 -4.984 -3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.676 -5.036 -3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.642 -7.178 -2.603 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.435 -8.719 -3.009 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.057 -7.723 -1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.339 -4.216 -1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.666 -5.768 -1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 50 9.281 -5.715 -1.851 1.00 0.00 H new ATOM 683 N THR A 51 9.005 -10.003 -4.422 1.00 0.00 N ATOM 684 CA THR A 51 8.671 -11.047 -5.350 1.00 0.00 C ATOM 685 C THR A 51 7.281 -11.564 -4.987 1.00 0.00 C ATOM 686 O THR A 51 7.032 -11.981 -3.850 1.00 0.00 O ATOM 687 CB THR A 51 9.709 -12.172 -5.284 1.00 0.00 C ATOM 688 OG1 THR A 51 11.010 -11.588 -5.450 1.00 0.00 O ATOM 689 CG2 THR A 51 9.472 -13.211 -6.374 1.00 0.00 C ATOM 0 H THR A 51 9.495 -10.291 -3.575 1.00 0.00 H new ATOM 0 HA THR A 51 8.671 -10.666 -6.371 1.00 0.00 H new ATOM 0 HB THR A 51 9.628 -12.678 -4.322 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.692 -12.291 -5.409 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.225 -13.995 -6.299 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.481 -13.647 -6.251 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.540 -12.734 -7.352 1.00 0.00 H new ATOM 697 N ALA A 52 6.389 -11.520 -5.947 1.00 0.00 N ATOM 698 CA ALA A 52 5.035 -11.980 -5.780 1.00 0.00 C ATOM 699 C ALA A 52 4.554 -12.487 -7.113 1.00 0.00 C ATOM 700 O ALA A 52 4.612 -11.768 -8.109 1.00 0.00 O ATOM 701 CB ALA A 52 4.137 -10.861 -5.266 1.00 0.00 C ATOM 0 H ALA A 52 6.588 -11.158 -6.880 1.00 0.00 H new ATOM 0 HA ALA A 52 5.000 -12.779 -5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.120 -11.235 -5.149 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.508 -10.510 -4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.140 -10.036 -5.978 1.00 0.00 H new ATOM 707 N ARG A 53 4.155 -13.745 -7.140 1.00 0.00 N ATOM 708 CA ARG A 53 3.668 -14.435 -8.339 1.00 0.00 C ATOM 709 C ARG A 53 4.742 -14.571 -9.406 1.00 0.00 C ATOM 710 O ARG A 53 4.469 -14.851 -10.575 1.00 0.00 O ATOM 711 CB ARG A 53 2.365 -13.821 -8.863 1.00 0.00 C ATOM 712 CG ARG A 53 1.246 -14.059 -7.884 1.00 0.00 C ATOM 713 CD ARG A 53 -0.092 -13.485 -8.297 1.00 0.00 C ATOM 714 NE ARG A 53 -1.073 -13.918 -7.309 1.00 0.00 N ATOM 715 CZ ARG A 53 -1.563 -13.171 -6.329 1.00 0.00 C ATOM 716 NH1 ARG A 53 -1.510 -11.852 -6.387 1.00 0.00 N ATOM 717 NH2 ARG A 53 -2.167 -13.751 -5.315 1.00 0.00 N ATOM 0 H ARG A 53 4.157 -14.339 -6.311 1.00 0.00 H new ATOM 0 HA ARG A 53 3.422 -15.455 -8.044 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.497 -12.751 -9.022 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.112 -14.258 -9.829 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.134 -15.133 -7.736 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.527 -13.632 -6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.046 -12.397 -8.342 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.369 -13.833 -9.292 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.411 -14.878 -7.378 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.087 -11.394 -7.194 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.892 -11.292 -5.624 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.255 -14.767 -5.287 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.547 -13.185 -4.556 1.00 0.00 H new ATOM 731 N GLY A 54 5.968 -14.468 -8.960 1.00 0.00 N ATOM 732 CA GLY A 54 7.103 -14.562 -9.842 1.00 0.00 C ATOM 733 C GLY A 54 7.407 -13.244 -10.503 1.00 0.00 C ATOM 734 O GLY A 54 8.136 -13.186 -11.485 1.00 0.00 O ATOM 0 H GLY A 54 6.207 -14.317 -7.980 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.974 -14.896 -9.279 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.909 -15.315 -10.605 1.00 0.00 H new ATOM 738 N HIS A 55 6.807 -12.192 -10.005 1.00 0.00 N ATOM 739 CA HIS A 55 7.101 -10.871 -10.488 1.00 0.00 C ATOM 740 C HIS A 55 7.859 -10.197 -9.378 1.00 0.00 C ATOM 741 O HIS A 55 7.409 -10.226 -8.228 1.00 0.00 O ATOM 742 CB HIS A 55 5.831 -10.042 -10.745 1.00 0.00 C ATOM 743 CG HIS A 55 4.819 -10.611 -11.697 1.00 0.00 C ATOM 744 ND1 HIS A 55 4.618 -10.153 -12.979 1.00 0.00 N ATOM 745 CD2 HIS A 55 3.883 -11.571 -11.497 1.00 0.00 C ATOM 746 CE1 HIS A 55 3.590 -10.821 -13.505 1.00 0.00 C ATOM 747 NE2 HIS A 55 3.104 -11.702 -12.643 1.00 0.00 N ATOM 0 H HIS A 55 6.109 -12.228 -9.262 1.00 0.00 H new ATOM 0 HA HIS A 55 7.647 -10.941 -11.429 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.337 -9.875 -9.788 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.136 -9.065 -11.121 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.761 -12.145 -10.590 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.205 -10.664 -14.502 1.00 0.00 H new ATOM 0 HE2 HIS A 55 2.323 -12.342 -12.789 1.00 0.00 H new ATOM 755 N GLU A 56 9.004 -9.652 -9.677 1.00 0.00 N ATOM 756 CA GLU A 56 9.716 -8.893 -8.698 1.00 0.00 C ATOM 757 C GLU A 56 9.350 -7.446 -8.903 1.00 0.00 C ATOM 758 O GLU A 56 9.554 -6.891 -9.993 1.00 0.00 O ATOM 759 CB GLU A 56 11.231 -9.057 -8.798 1.00 0.00 C ATOM 760 CG GLU A 56 11.760 -10.448 -8.508 1.00 0.00 C ATOM 761 CD GLU A 56 11.511 -11.436 -9.622 1.00 0.00 C ATOM 762 OE1 GLU A 56 12.097 -11.267 -10.716 1.00 0.00 O ATOM 763 OE2 GLU A 56 10.797 -12.428 -9.429 1.00 0.00 O ATOM 0 H GLU A 56 9.460 -9.720 -10.587 1.00 0.00 H new ATOM 0 HA GLU A 56 9.436 -9.252 -7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.544 -8.771 -9.802 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.701 -8.358 -8.106 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.832 -10.388 -8.321 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.297 -10.820 -7.594 1.00 0.00 H new ATOM 770 N PHE A 57 8.763 -6.848 -7.906 1.00 0.00 N ATOM 771 CA PHE A 57 8.391 -5.476 -7.983 1.00 0.00 C ATOM 772 C PHE A 57 9.418 -4.695 -7.217 1.00 0.00 C ATOM 773 O PHE A 57 9.474 -4.785 -5.990 1.00 0.00 O ATOM 774 CB PHE A 57 7.008 -5.265 -7.374 1.00 0.00 C ATOM 775 CG PHE A 57 5.917 -6.060 -8.033 1.00 0.00 C ATOM 776 CD1 PHE A 57 5.387 -5.655 -9.248 1.00 0.00 C ATOM 777 CD2 PHE A 57 5.404 -7.196 -7.426 1.00 0.00 C ATOM 778 CE1 PHE A 57 4.368 -6.369 -9.846 1.00 0.00 C ATOM 779 CE2 PHE A 57 4.387 -7.915 -8.022 1.00 0.00 C ATOM 780 CZ PHE A 57 3.868 -7.501 -9.229 1.00 0.00 C ATOM 0 H PHE A 57 8.532 -7.302 -7.022 1.00 0.00 H new ATOM 0 HA PHE A 57 8.349 -5.147 -9.021 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.045 -5.527 -6.317 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.756 -4.206 -7.431 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.775 -4.771 -9.732 1.00 0.00 H new ATOM 0 HD2 PHE A 57 5.804 -7.522 -6.477 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.963 -6.044 -10.793 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.999 -8.801 -7.542 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.070 -8.061 -9.694 1.00 0.00 H new ATOM 790 N GLU A 58 10.273 -4.000 -7.917 1.00 0.00 N ATOM 791 CA GLU A 58 11.252 -3.212 -7.263 1.00 0.00 C ATOM 792 C GLU A 58 10.602 -1.854 -7.081 1.00 0.00 C ATOM 793 O GLU A 58 10.336 -1.130 -8.040 1.00 0.00 O ATOM 794 CB GLU A 58 12.528 -3.167 -8.089 1.00 0.00 C ATOM 795 CG GLU A 58 13.688 -2.531 -7.382 1.00 0.00 C ATOM 796 CD GLU A 58 14.909 -2.461 -8.254 1.00 0.00 C ATOM 797 OE1 GLU A 58 15.830 -3.273 -8.080 1.00 0.00 O ATOM 798 OE2 GLU A 58 14.968 -1.607 -9.157 1.00 0.00 O ATOM 0 H GLU A 58 10.303 -3.971 -8.936 1.00 0.00 H new ATOM 0 HA GLU A 58 11.558 -3.615 -6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.801 -4.183 -8.373 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.333 -2.620 -9.011 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.412 -1.526 -7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.918 -3.099 -6.480 1.00 0.00 H new ATOM 805 N VAL A 59 10.309 -1.557 -5.856 1.00 0.00 N ATOM 806 CA VAL A 59 9.569 -0.388 -5.468 1.00 0.00 C ATOM 807 C VAL A 59 10.443 0.598 -4.738 1.00 0.00 C ATOM 808 O VAL A 59 11.495 0.246 -4.187 1.00 0.00 O ATOM 809 CB VAL A 59 8.399 -0.761 -4.537 1.00 0.00 C ATOM 810 CG1 VAL A 59 7.357 -1.614 -5.231 1.00 0.00 C ATOM 811 CG2 VAL A 59 8.942 -1.502 -3.358 1.00 0.00 C ATOM 0 H VAL A 59 10.586 -2.140 -5.066 1.00 0.00 H new ATOM 0 HA VAL A 59 9.192 0.062 -6.386 1.00 0.00 H new ATOM 0 HB VAL A 59 7.908 0.162 -4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.555 -1.849 -4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.949 -1.069 -6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.817 -2.539 -5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.124 -1.772 -2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.447 -2.406 -3.698 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.651 -0.869 -2.825 1.00 0.00 H new ATOM 821 N GLU A 60 9.982 1.810 -4.733 1.00 0.00 N ATOM 822 CA GLU A 60 10.613 2.888 -4.058 1.00 0.00 C ATOM 823 C GLU A 60 9.536 3.558 -3.260 1.00 0.00 C ATOM 824 O GLU A 60 8.664 4.232 -3.826 1.00 0.00 O ATOM 825 CB GLU A 60 11.253 3.851 -5.064 1.00 0.00 C ATOM 826 CG GLU A 60 11.915 5.065 -4.441 1.00 0.00 C ATOM 827 CD GLU A 60 12.701 5.879 -5.437 1.00 0.00 C ATOM 828 OE1 GLU A 60 12.105 6.439 -6.385 1.00 0.00 O ATOM 829 OE2 GLU A 60 13.938 5.996 -5.282 1.00 0.00 O ATOM 0 H GLU A 60 9.126 2.080 -5.217 1.00 0.00 H new ATOM 0 HA GLU A 60 11.420 2.546 -3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.996 3.307 -5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.487 4.189 -5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.151 5.696 -3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.579 4.740 -3.640 1.00 0.00 H new ATOM 836 N ALA A 61 9.528 3.305 -1.969 1.00 0.00 N ATOM 837 CA ALA A 61 8.538 3.952 -1.134 1.00 0.00 C ATOM 838 C ALA A 61 9.011 5.372 -0.908 1.00 0.00 C ATOM 839 O ALA A 61 9.736 5.663 0.027 1.00 0.00 O ATOM 840 CB ALA A 61 8.337 3.213 0.185 1.00 0.00 C ATOM 0 H ALA A 61 10.172 2.678 -1.487 1.00 0.00 H new ATOM 0 HA ALA A 61 7.565 3.944 -1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.586 3.731 0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.002 2.195 -0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.279 3.184 0.733 1.00 0.00 H new ATOM 846 N LYS A 62 8.629 6.234 -1.815 1.00 0.00 N ATOM 847 CA LYS A 62 9.055 7.588 -1.839 1.00 0.00 C ATOM 848 C LYS A 62 8.155 8.488 -0.995 1.00 0.00 C ATOM 849 O LYS A 62 8.619 9.430 -0.336 1.00 0.00 O ATOM 850 CB LYS A 62 9.087 7.968 -3.317 1.00 0.00 C ATOM 851 CG LYS A 62 9.143 9.431 -3.586 1.00 0.00 C ATOM 852 CD LYS A 62 9.288 9.744 -5.076 1.00 0.00 C ATOM 853 CE LYS A 62 8.053 9.363 -5.891 1.00 0.00 C ATOM 854 NZ LYS A 62 6.868 10.195 -5.558 1.00 0.00 N ATOM 0 H LYS A 62 7.993 5.994 -2.576 1.00 0.00 H new ATOM 0 HA LYS A 62 10.038 7.719 -1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.953 7.495 -3.780 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.201 7.558 -3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.237 9.903 -3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.982 9.866 -3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.484 10.809 -5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.154 9.213 -5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.277 9.466 -6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.816 8.314 -5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.064 9.906 -6.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.623 10.065 -4.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.086 11.196 -5.734 1.00 0.00 H new ATOM 868 N ASP A 63 6.890 8.161 -0.970 1.00 0.00 N ATOM 869 CA ASP A 63 5.903 8.953 -0.259 1.00 0.00 C ATOM 870 C ASP A 63 5.036 8.050 0.563 1.00 0.00 C ATOM 871 O ASP A 63 4.753 6.921 0.164 1.00 0.00 O ATOM 872 CB ASP A 63 4.988 9.755 -1.201 1.00 0.00 C ATOM 873 CG ASP A 63 5.679 10.858 -1.967 1.00 0.00 C ATOM 874 OD1 ASP A 63 6.179 10.606 -3.072 1.00 0.00 O ATOM 875 OD2 ASP A 63 5.714 12.012 -1.488 1.00 0.00 O ATOM 0 H ASP A 63 6.508 7.340 -1.439 1.00 0.00 H new ATOM 0 HA ASP A 63 6.457 9.657 0.362 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.532 9.068 -1.913 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.179 10.191 -0.615 1.00 0.00 H new ATOM 880 N GLN A 64 4.561 8.586 1.668 1.00 0.00 N ATOM 881 CA GLN A 64 3.688 7.909 2.616 1.00 0.00 C ATOM 882 C GLN A 64 2.255 7.804 2.086 1.00 0.00 C ATOM 883 O GLN A 64 1.324 7.440 2.809 1.00 0.00 O ATOM 884 CB GLN A 64 3.709 8.570 4.010 1.00 0.00 C ATOM 885 CG GLN A 64 3.253 10.036 4.080 1.00 0.00 C ATOM 886 CD GLN A 64 4.277 11.077 3.644 1.00 0.00 C ATOM 887 OE1 GLN A 64 5.146 10.843 2.818 1.00 0.00 O ATOM 888 NE2 GLN A 64 4.170 12.254 4.187 1.00 0.00 N ATOM 0 H GLN A 64 4.779 9.543 1.945 1.00 0.00 H new ATOM 0 HA GLN A 64 4.083 6.899 2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.076 7.983 4.675 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.725 8.509 4.401 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.364 10.149 3.460 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.957 10.255 5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.439 12.434 4.875 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.817 12.997 3.925 1.00 0.00 H new ATOM 897 N ASN A 65 2.096 8.168 0.824 1.00 0.00 N ATOM 898 CA ASN A 65 0.866 7.959 0.062 1.00 0.00 C ATOM 899 C ASN A 65 0.712 6.452 -0.107 1.00 0.00 C ATOM 900 O ASN A 65 -0.388 5.911 -0.157 1.00 0.00 O ATOM 901 CB ASN A 65 0.996 8.655 -1.308 1.00 0.00 C ATOM 902 CG ASN A 65 -0.133 8.369 -2.301 1.00 0.00 C ATOM 903 OD1 ASN A 65 -1.278 8.099 -1.940 1.00 0.00 O ATOM 904 ND2 ASN A 65 0.179 8.465 -3.575 1.00 0.00 N ATOM 0 H ASN A 65 2.831 8.627 0.286 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.005 8.376 0.567 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.050 9.731 -1.146 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.940 8.353 -1.761 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.535 8.315 -4.288 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.135 8.690 -3.850 1.00 0.00 H new ATOM 911 N CYS A 66 1.864 5.796 -0.164 1.00 0.00 N ATOM 912 CA CYS A 66 1.990 4.359 -0.249 1.00 0.00 C ATOM 913 C CYS A 66 1.328 3.748 -1.457 1.00 0.00 C ATOM 914 O CYS A 66 0.816 2.641 -1.429 1.00 0.00 O ATOM 915 CB CYS A 66 1.606 3.675 1.056 1.00 0.00 C ATOM 916 SG CYS A 66 2.693 4.143 2.448 1.00 0.00 S ATOM 0 H CYS A 66 2.765 6.274 -0.151 1.00 0.00 H new ATOM 0 HA CYS A 66 3.052 4.168 -0.405 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.576 3.929 1.304 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.644 2.594 0.919 1.00 0.00 H new ATOM 921 N LYS A 67 1.328 4.486 -2.529 1.00 0.00 N ATOM 922 CA LYS A 67 0.988 3.950 -3.776 1.00 0.00 C ATOM 923 C LYS A 67 2.201 3.142 -4.162 1.00 0.00 C ATOM 924 O LYS A 67 3.326 3.567 -3.890 1.00 0.00 O ATOM 925 CB LYS A 67 0.766 5.074 -4.784 1.00 0.00 C ATOM 926 CG LYS A 67 0.059 4.667 -6.063 1.00 0.00 C ATOM 927 CD LYS A 67 -1.327 4.166 -5.717 1.00 0.00 C ATOM 928 CE LYS A 67 -1.408 2.645 -5.692 1.00 0.00 C ATOM 929 NZ LYS A 67 -2.745 2.135 -5.274 1.00 0.00 N ATOM 0 H LYS A 67 1.567 5.477 -2.543 1.00 0.00 H new ATOM 0 HA LYS A 67 0.073 3.358 -3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.187 5.862 -4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.734 5.503 -5.044 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.006 5.515 -6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.624 3.889 -6.575 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.619 4.558 -4.743 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.042 4.553 -6.444 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.173 2.259 -6.684 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.650 2.258 -5.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.736 1.095 -5.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.963 2.477 -4.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.470 2.477 -5.937 1.00 0.00 H new ATOM 943 N VAL A 68 1.980 1.979 -4.697 1.00 0.00 N ATOM 944 CA VAL A 68 3.070 1.149 -5.139 1.00 0.00 C ATOM 945 C VAL A 68 3.812 1.830 -6.295 1.00 0.00 C ATOM 946 O VAL A 68 3.342 1.894 -7.431 1.00 0.00 O ATOM 947 CB VAL A 68 2.613 -0.296 -5.462 1.00 0.00 C ATOM 948 CG1 VAL A 68 1.423 -0.313 -6.414 1.00 0.00 C ATOM 949 CG2 VAL A 68 3.775 -1.111 -6.008 1.00 0.00 C ATOM 0 H VAL A 68 1.053 1.579 -4.840 1.00 0.00 H new ATOM 0 HA VAL A 68 3.780 1.039 -4.320 1.00 0.00 H new ATOM 0 HB VAL A 68 2.280 -0.758 -4.533 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.133 -1.344 -6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.586 0.217 -5.960 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.698 0.176 -7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.437 -2.123 -6.230 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.149 -0.646 -6.920 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.573 -1.149 -5.266 1.00 0.00 H new ATOM 959 N ILE A 69 4.937 2.403 -5.951 1.00 0.00 N ATOM 960 CA ILE A 69 5.765 3.146 -6.865 1.00 0.00 C ATOM 961 C ILE A 69 6.973 2.315 -7.162 1.00 0.00 C ATOM 962 O ILE A 69 7.686 1.907 -6.250 1.00 0.00 O ATOM 963 CB ILE A 69 6.177 4.501 -6.240 1.00 0.00 C ATOM 964 CG1 ILE A 69 4.934 5.374 -6.068 1.00 0.00 C ATOM 965 CG2 ILE A 69 7.237 5.213 -7.077 1.00 0.00 C ATOM 966 CD1 ILE A 69 5.139 6.614 -5.221 1.00 0.00 C ATOM 0 H ILE A 69 5.312 2.364 -5.003 1.00 0.00 H new ATOM 0 HA ILE A 69 5.220 3.361 -7.784 1.00 0.00 H new ATOM 0 HB ILE A 69 6.625 4.313 -5.264 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.582 5.679 -7.054 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.144 4.772 -5.620 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.499 6.160 -6.604 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.125 4.586 -7.149 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.845 5.403 -8.076 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.203 7.169 -5.156 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.458 6.322 -4.220 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.903 7.243 -5.677 1.00 0.00 H new ATOM 978 N LEU A 70 7.192 2.044 -8.413 1.00 0.00 N ATOM 979 CA LEU A 70 8.283 1.236 -8.804 1.00 0.00 C ATOM 980 C LEU A 70 9.475 2.089 -9.063 1.00 0.00 C ATOM 981 O LEU A 70 9.370 3.266 -9.433 1.00 0.00 O ATOM 982 CB LEU A 70 7.975 0.364 -10.020 1.00 0.00 C ATOM 983 CG LEU A 70 6.924 -0.733 -9.839 1.00 0.00 C ATOM 984 CD1 LEU A 70 7.264 -1.689 -8.721 1.00 0.00 C ATOM 985 CD2 LEU A 70 5.530 -0.174 -9.690 1.00 0.00 C ATOM 0 H LEU A 70 6.614 2.381 -9.183 1.00 0.00 H new ATOM 0 HA LEU A 70 8.489 0.553 -7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.648 1.016 -10.830 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.904 -0.106 -10.344 1.00 0.00 H new ATOM 0 HG LEU A 70 6.939 -1.314 -10.761 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.483 -2.445 -8.639 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.217 -2.173 -8.933 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.337 -1.140 -7.782 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.821 -0.993 -9.564 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.491 0.477 -8.817 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.270 0.398 -10.581 1.00 0.00 H new ATOM 997 N THR A 71 10.593 1.481 -8.862 1.00 0.00 N ATOM 998 CA THR A 71 11.888 2.132 -9.073 1.00 0.00 C ATOM 999 C THR A 71 12.114 2.421 -10.542 1.00 0.00 C ATOM 1000 O THR A 71 12.701 3.426 -10.931 1.00 0.00 O ATOM 1001 CB THR A 71 13.000 1.199 -8.623 1.00 0.00 C ATOM 1002 OG1 THR A 71 12.853 -0.048 -9.314 1.00 0.00 O ATOM 1003 CG2 THR A 71 12.862 0.950 -7.165 1.00 0.00 C ATOM 0 H THR A 71 10.660 0.514 -8.545 1.00 0.00 H new ATOM 0 HA THR A 71 11.891 3.062 -8.505 1.00 0.00 H new ATOM 0 HB THR A 71 13.972 1.643 -8.836 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.738 -0.421 -9.508 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.656 0.281 -6.833 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.935 1.895 -6.626 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.894 0.491 -6.964 1.00 0.00 H new ATOM 1011 N ASN A 72 11.581 1.532 -11.326 1.00 0.00 N ATOM 1012 CA ASN A 72 11.765 1.505 -12.759 1.00 0.00 C ATOM 1013 C ASN A 72 10.572 2.122 -13.436 1.00 0.00 C ATOM 1014 O ASN A 72 10.578 2.403 -14.634 1.00 0.00 O ATOM 1015 CB ASN A 72 11.961 0.067 -13.226 1.00 0.00 C ATOM 1016 CG ASN A 72 10.938 -0.853 -12.610 1.00 0.00 C ATOM 1017 OD1 ASN A 72 9.826 -0.914 -13.057 1.00 0.00 O ATOM 1018 ND2 ASN A 72 11.306 -1.576 -11.577 1.00 0.00 N ATOM 0 H ASN A 72 10.986 0.779 -10.982 1.00 0.00 H new ATOM 0 HA ASN A 72 12.652 2.081 -13.023 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.886 0.022 -14.313 1.00 0.00 H new ATOM 0 HB3 ASN A 72 12.963 -0.270 -12.961 1.00 0.00 H new ATOM 0 HD21 ASN A 72 10.640 -2.209 -11.134 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.258 -1.504 -11.218 1.00 0.00 H new ATOM 1025 N GLY A 73 9.524 2.286 -12.664 1.00 0.00 N ATOM 1026 CA GLY A 73 8.374 2.974 -13.164 1.00 0.00 C ATOM 1027 C GLY A 73 7.369 2.072 -13.822 1.00 0.00 C ATOM 1028 O GLY A 73 6.590 2.536 -14.658 1.00 0.00 O ATOM 0 H GLY A 73 9.450 1.955 -11.702 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.891 3.502 -12.342 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.696 3.728 -13.882 1.00 0.00 H new ATOM 1032 N LYS A 74 7.391 0.780 -13.518 1.00 0.00 N ATOM 1033 CA LYS A 74 6.351 -0.078 -14.007 1.00 0.00 C ATOM 1034 C LYS A 74 4.990 0.301 -13.479 1.00 0.00 C ATOM 1035 O LYS A 74 4.839 1.067 -12.525 1.00 0.00 O ATOM 1036 CB LYS A 74 6.600 -1.532 -13.664 1.00 0.00 C ATOM 1037 CG LYS A 74 7.685 -2.188 -14.459 1.00 0.00 C ATOM 1038 CD LYS A 74 8.070 -3.484 -13.798 1.00 0.00 C ATOM 1039 CE LYS A 74 9.130 -4.237 -14.578 1.00 0.00 C ATOM 1040 NZ LYS A 74 8.680 -4.599 -15.946 1.00 0.00 N ATOM 0 H LYS A 74 8.104 0.324 -12.949 1.00 0.00 H new ATOM 0 HA LYS A 74 6.366 0.052 -15.089 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.851 -1.603 -12.606 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.674 -2.089 -13.810 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.344 -2.373 -15.478 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.551 -1.530 -14.527 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.438 -3.281 -12.792 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.185 -4.112 -13.693 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.030 -3.626 -14.645 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.400 -5.143 -14.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.348 -5.279 -16.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.734 -5.028 -15.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.643 -3.744 -16.537 1.00 0.00 H new ATOM 1054 N GLN A 75 4.020 -0.208 -14.151 1.00 0.00 N ATOM 1055 CA GLN A 75 2.655 -0.116 -13.732 1.00 0.00 C ATOM 1056 C GLN A 75 2.401 -1.324 -12.854 1.00 0.00 C ATOM 1057 O GLN A 75 2.405 -2.462 -13.338 1.00 0.00 O ATOM 1058 CB GLN A 75 1.725 -0.141 -14.946 1.00 0.00 C ATOM 1059 CG GLN A 75 0.242 -0.157 -14.607 1.00 0.00 C ATOM 1060 CD GLN A 75 -0.215 1.077 -13.864 1.00 0.00 C ATOM 1061 OE1 GLN A 75 -0.195 1.132 -12.638 1.00 0.00 O ATOM 1062 NE2 GLN A 75 -0.633 2.070 -14.605 1.00 0.00 N ATOM 0 H GLN A 75 4.149 -0.713 -15.028 1.00 0.00 H new ATOM 0 HA GLN A 75 2.466 0.814 -13.195 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.933 0.732 -15.565 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.957 -1.021 -15.547 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.333 -0.252 -15.528 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.024 -1.038 -14.003 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.633 1.983 -15.621 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.959 2.931 -14.167 1.00 0.00 H new ATOM 1071 N ALA A 76 2.274 -1.103 -11.575 1.00 0.00 N ATOM 1072 CA ALA A 76 1.987 -2.191 -10.685 1.00 0.00 C ATOM 1073 C ALA A 76 0.483 -2.400 -10.680 1.00 0.00 C ATOM 1074 O ALA A 76 -0.279 -1.436 -10.781 1.00 0.00 O ATOM 1075 CB ALA A 76 2.531 -1.932 -9.289 1.00 0.00 C ATOM 0 H ALA A 76 2.364 -0.190 -11.130 1.00 0.00 H new ATOM 0 HA ALA A 76 2.483 -3.098 -11.030 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.294 -2.778 -8.644 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.612 -1.804 -9.338 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.077 -1.028 -8.884 1.00 0.00 H new ATOM 1081 N PRO A 77 0.049 -3.661 -10.620 1.00 0.00 N ATOM 1082 CA PRO A 77 -1.372 -4.046 -10.637 1.00 0.00 C ATOM 1083 C PRO A 77 -2.192 -3.477 -9.478 1.00 0.00 C ATOM 1084 O PRO A 77 -1.651 -3.050 -8.450 1.00 0.00 O ATOM 1085 CB PRO A 77 -1.312 -5.567 -10.538 1.00 0.00 C ATOM 1086 CG PRO A 77 0.023 -5.870 -9.975 1.00 0.00 C ATOM 1087 CD PRO A 77 0.924 -4.840 -10.539 1.00 0.00 C ATOM 0 HA PRO A 77 -1.871 -3.659 -11.525 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.105 -5.951 -9.897 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.441 -6.030 -11.516 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.010 -5.828 -8.886 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.349 -6.873 -10.252 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.787 -4.661 -9.898 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.308 -5.128 -11.518 1.00 0.00 H new ATOM 1095 N ASP A 78 -3.502 -3.497 -9.659 1.00 0.00 N ATOM 1096 CA ASP A 78 -4.479 -2.998 -8.689 1.00 0.00 C ATOM 1097 C ASP A 78 -4.375 -3.768 -7.383 1.00 0.00 C ATOM 1098 O ASP A 78 -4.454 -3.190 -6.298 1.00 0.00 O ATOM 1099 CB ASP A 78 -5.899 -3.147 -9.258 1.00 0.00 C ATOM 1100 CG ASP A 78 -6.991 -2.637 -8.329 1.00 0.00 C ATOM 1101 OD1 ASP A 78 -7.456 -1.483 -8.501 1.00 0.00 O ATOM 1102 OD2 ASP A 78 -7.436 -3.377 -7.429 1.00 0.00 O ATOM 0 H ASP A 78 -3.933 -3.869 -10.505 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.269 -1.946 -8.496 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.959 -2.609 -10.204 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.084 -4.199 -9.477 1.00 0.00 H new ATOM 1107 N TRP A 79 -4.140 -5.073 -7.506 1.00 0.00 N ATOM 1108 CA TRP A 79 -4.047 -5.969 -6.360 1.00 0.00 C ATOM 1109 C TRP A 79 -2.775 -5.739 -5.559 1.00 0.00 C ATOM 1110 O TRP A 79 -2.634 -6.216 -4.444 1.00 0.00 O ATOM 1111 CB TRP A 79 -4.156 -7.440 -6.789 1.00 0.00 C ATOM 1112 CG TRP A 79 -3.108 -7.931 -7.745 1.00 0.00 C ATOM 1113 CD1 TRP A 79 -3.243 -7.994 -9.086 1.00 0.00 C ATOM 1114 CD2 TRP A 79 -1.782 -8.434 -7.448 1.00 0.00 C ATOM 1115 NE1 TRP A 79 -2.121 -8.529 -9.657 1.00 0.00 N ATOM 1116 CE2 TRP A 79 -1.202 -8.798 -8.679 1.00 0.00 C ATOM 1117 CE3 TRP A 79 -1.026 -8.617 -6.274 1.00 0.00 C ATOM 1118 CZ2 TRP A 79 0.081 -9.330 -8.778 1.00 0.00 C ATOM 1119 CZ3 TRP A 79 0.251 -9.143 -6.380 1.00 0.00 C ATOM 1120 CH2 TRP A 79 0.793 -9.492 -7.623 1.00 0.00 C ATOM 0 H TRP A 79 -4.009 -5.537 -8.405 1.00 0.00 H new ATOM 0 HA TRP A 79 -4.892 -5.738 -5.711 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.121 -8.061 -5.894 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -5.134 -7.592 -7.245 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -4.115 -7.667 -9.632 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.990 -8.700 -10.654 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -1.434 -8.352 -5.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 0.499 -9.605 -9.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 0.840 -9.287 -5.486 1.00 0.00 H new ATOM 0 HH2 TRP A 79 1.793 -9.897 -7.670 1.00 0.00 H new ATOM 1131 N LEU A 80 -1.846 -5.024 -6.127 1.00 0.00 N ATOM 1132 CA LEU A 80 -0.628 -4.748 -5.440 1.00 0.00 C ATOM 1133 C LEU A 80 -0.842 -3.473 -4.654 1.00 0.00 C ATOM 1134 O LEU A 80 -0.824 -2.366 -5.201 1.00 0.00 O ATOM 1135 CB LEU A 80 0.542 -4.663 -6.424 1.00 0.00 C ATOM 1136 CG LEU A 80 1.913 -4.370 -5.827 1.00 0.00 C ATOM 1137 CD1 LEU A 80 2.224 -5.343 -4.727 1.00 0.00 C ATOM 1138 CD2 LEU A 80 2.981 -4.499 -6.879 1.00 0.00 C ATOM 0 H LEU A 80 -1.913 -4.624 -7.063 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.364 -5.550 -4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.601 -5.607 -6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.316 -3.888 -7.156 1.00 0.00 H new ATOM 0 HG LEU A 80 1.894 -3.354 -5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.207 -5.120 -4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.471 -5.259 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.221 -6.357 -5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.955 -4.287 -6.437 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.977 -5.513 -7.279 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.786 -3.791 -7.684 1.00 0.00 H new ATOM 1150 N ALA A 81 -1.126 -3.643 -3.393 1.00 0.00 N ATOM 1151 CA ALA A 81 -1.436 -2.537 -2.533 1.00 0.00 C ATOM 1152 C ALA A 81 -0.299 -2.249 -1.613 1.00 0.00 C ATOM 1153 O ALA A 81 0.597 -3.064 -1.418 1.00 0.00 O ATOM 1154 CB ALA A 81 -2.658 -2.826 -1.681 1.00 0.00 C ATOM 0 H ALA A 81 -1.149 -4.553 -2.933 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.629 -1.681 -3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.866 -1.969 -1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.516 -3.013 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.471 -3.704 -1.062 1.00 0.00 H new ATOM 1160 N ALA A 82 -0.355 -1.085 -1.064 1.00 0.00 N ATOM 1161 CA ALA A 82 0.540 -0.652 -0.047 1.00 0.00 C ATOM 1162 C ALA A 82 -0.212 0.354 0.780 1.00 0.00 C ATOM 1163 O ALA A 82 -1.117 1.025 0.272 1.00 0.00 O ATOM 1164 CB ALA A 82 1.824 -0.066 -0.617 1.00 0.00 C ATOM 0 H ALA A 82 -1.050 -0.384 -1.320 1.00 0.00 H new ATOM 0 HA ALA A 82 0.862 -1.497 0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.474 0.250 0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.334 -0.821 -1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.585 0.793 -1.244 1.00 0.00 H new ATOM 1170 N GLU A 83 0.075 0.375 2.041 1.00 0.00 N ATOM 1171 CA GLU A 83 -0.491 1.316 2.967 1.00 0.00 C ATOM 1172 C GLU A 83 0.550 1.514 4.024 1.00 0.00 C ATOM 1173 O GLU A 83 1.432 0.661 4.148 1.00 0.00 O ATOM 1174 CB GLU A 83 -1.767 0.759 3.595 1.00 0.00 C ATOM 1175 CG GLU A 83 -1.610 -0.597 4.224 1.00 0.00 C ATOM 1176 CD GLU A 83 -2.866 -1.024 4.907 1.00 0.00 C ATOM 1177 OE1 GLU A 83 -3.893 -1.192 4.227 1.00 0.00 O ATOM 1178 OE2 GLU A 83 -2.863 -1.234 6.141 1.00 0.00 O ATOM 0 H GLU A 83 0.728 -0.279 2.473 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.758 2.249 2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.120 1.459 4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.540 0.703 2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.343 -1.327 3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.791 -0.574 4.943 1.00 0.00 H new ATOM 1185 N PRO A 84 0.547 2.623 4.740 1.00 0.00 N ATOM 1186 CA PRO A 84 1.470 2.800 5.821 1.00 0.00 C ATOM 1187 C PRO A 84 1.087 1.862 6.977 1.00 0.00 C ATOM 1188 O PRO A 84 -0.096 1.716 7.322 1.00 0.00 O ATOM 1189 CB PRO A 84 1.377 4.297 6.084 1.00 0.00 C ATOM 1190 CG PRO A 84 -0.037 4.600 5.792 1.00 0.00 C ATOM 1191 CD PRO A 84 -0.298 3.817 4.547 1.00 0.00 C ATOM 0 HA PRO A 84 2.509 2.529 5.636 1.00 0.00 H new ATOM 0 HB2 PRO A 84 1.638 4.543 7.113 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.052 4.862 5.441 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.692 4.293 6.607 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -0.198 5.667 5.639 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.351 3.557 4.444 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -0.018 4.372 3.652 1.00 0.00 H new ATOM 1199 N TYR A 85 2.111 1.220 7.508 1.00 0.00 N ATOM 1200 CA TYR A 85 2.023 0.084 8.421 1.00 0.00 C ATOM 1201 C TYR A 85 0.954 0.092 9.503 1.00 0.00 C ATOM 1202 O TYR A 85 0.094 -0.820 9.458 1.00 0.00 O ATOM 1203 CB TYR A 85 3.407 -0.436 8.859 1.00 0.00 C ATOM 1204 CG TYR A 85 4.012 0.002 10.177 1.00 0.00 C ATOM 1205 CD1 TYR A 85 3.770 -0.741 11.325 1.00 0.00 C ATOM 1206 CD2 TYR A 85 4.862 1.091 10.275 1.00 0.00 C ATOM 1207 CE1 TYR A 85 4.353 -0.417 12.525 1.00 0.00 C ATOM 1208 CE2 TYR A 85 5.444 1.432 11.483 1.00 0.00 C ATOM 1209 CZ TYR A 85 5.189 0.668 12.603 1.00 0.00 C ATOM 1210 OH TYR A 85 5.792 0.970 13.804 1.00 0.00 O ATOM 1211 OXT TYR A 85 0.927 0.967 10.380 1.00 0.00 O ATOM 0 H TYR A 85 3.075 1.486 7.308 1.00 0.00 H new ATOM 0 HA TYR A 85 1.584 -0.684 7.784 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.351 -1.524 8.877 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.115 -0.166 8.075 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.108 -1.593 11.273 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.073 1.682 9.396 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.154 -1.013 13.403 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.094 2.292 11.549 1.00 0.00 H new ATOM 0 HH TYR A 85 6.355 1.765 13.697 1.00 0.00 H new TER 1221 TYR A 85