USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 410 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 47 CYS SG : rot -69:sc= 0.65 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ARG N :NH3+ -104:sc= -0.18 (180deg=-1.12) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -1.06 K(o=-1.1,f=-3.9!) USER MOD Single : A 11 GLN : amide:sc= -0.313 K(o=-0.31,f=-4!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS :FLIP no HD1:sc= -2.59! C(o=-3.3!,f=-2.6!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 103:sc= 0.989 USER MOD Single : A 30 SER OG : rot 78:sc= 1.25 USER MOD Single : A 35 GLN : amide:sc= -0.0608 X(o=-0.061,f=-0.051) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 150:sc= -0.453 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.308 K(o=-0.31,f=-2.9!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -2.24! C(o=-2.2!,f=-1.8!) USER MOD Single : A 46 ASN : amide:sc= -9.7! C(o=-9.7!,f=-10!) USER MOD Single : A 50 LYS NZ :NH3+ -141:sc= -0.807 (180deg=-6.62!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.609 0.967 2.098 1.00 0.00 N ATOM 2 CA ARG A 1 12.408 2.318 1.603 1.00 0.00 C ATOM 3 C ARG A 1 13.674 3.152 1.807 1.00 0.00 C ATOM 4 O ARG A 1 14.519 3.232 0.917 1.00 0.00 O ATOM 5 CB ARG A 1 11.237 2.998 2.317 1.00 0.00 C ATOM 6 CG ARG A 1 9.994 3.027 1.425 1.00 0.00 C ATOM 7 CD ARG A 1 9.390 1.629 1.280 1.00 0.00 C ATOM 8 NE ARG A 1 8.557 1.561 0.058 1.00 0.00 N ATOM 9 CZ ARG A 1 7.792 0.513 -0.272 1.00 0.00 C ATOM 10 NH1 ARG A 1 7.750 -0.564 0.525 1.00 0.00 N ATOM 11 NH2 ARG A 1 7.070 0.540 -1.401 1.00 0.00 N ATOM 0 H1 ARG A 1 12.750 0.321 1.296 1.00 0.00 H new ATOM 0 H2 ARG A 1 13.448 0.944 2.713 1.00 0.00 H new ATOM 0 H3 ARG A 1 11.774 0.668 2.641 1.00 0.00 H new ATOM 0 HA ARG A 1 12.181 2.251 0.539 1.00 0.00 H new ATOM 0 HB2 ARG A 1 11.013 2.467 3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.515 4.015 2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 1 9.253 3.705 1.849 1.00 0.00 H new ATOM 0 HG3 ARG A 1 10.257 3.417 0.442 1.00 0.00 H new ATOM 0 HD2 ARG A 1 10.184 0.884 1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 1 8.785 1.393 2.156 1.00 0.00 H new ATOM 0 HE ARG A 1 8.567 2.363 -0.572 1.00 0.00 H new ATOM 0 HH11 ARG A 1 8.301 -0.585 1.383 1.00 0.00 H new ATOM 0 HH12 ARG A 1 7.167 -1.362 0.273 1.00 0.00 H new ATOM 0 HH21 ARG A 1 7.104 1.359 -2.008 1.00 0.00 H new ATOM 0 HH22 ARG A 1 6.487 -0.258 -1.653 1.00 0.00 H new ATOM 22 N ILE A 2 13.765 3.753 2.984 1.00 0.00 N ATOM 23 CA ILE A 2 14.914 4.578 3.316 1.00 0.00 C ATOM 24 C ILE A 2 16.185 3.911 2.787 1.00 0.00 C ATOM 25 O ILE A 2 17.094 4.590 2.311 1.00 0.00 O ATOM 26 CB ILE A 2 14.951 4.866 4.818 1.00 0.00 C ATOM 27 CG1 ILE A 2 15.230 3.590 5.615 1.00 0.00 C ATOM 28 CG2 ILE A 2 13.664 5.556 5.275 1.00 0.00 C ATOM 29 CD1 ILE A 2 14.035 2.637 5.561 1.00 0.00 C ATOM 0 H ILE A 2 13.062 3.685 3.720 1.00 0.00 H new ATOM 0 HA ILE A 2 14.837 5.551 2.830 1.00 0.00 H new ATOM 0 HB ILE A 2 15.774 5.554 5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 2 16.114 3.093 5.215 1.00 0.00 H new ATOM 0 HG13 ILE A 2 15.449 3.845 6.652 1.00 0.00 H new ATOM 0 HG21 ILE A 2 13.716 5.750 6.346 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.547 6.499 4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 2 12.811 4.911 5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 2 14.260 1.738 6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 2 13.159 3.128 5.984 1.00 0.00 H new ATOM 0 HD13 ILE A 2 13.834 2.364 4.525 1.00 0.00 H new ATOM 40 N TYR A 3 16.209 2.590 2.888 1.00 0.00 N ATOM 41 CA TYR A 3 17.354 1.825 2.425 1.00 0.00 C ATOM 42 C TYR A 3 18.472 1.826 3.469 1.00 0.00 C ATOM 43 O TYR A 3 19.311 0.927 3.487 1.00 0.00 O ATOM 44 CB TYR A 3 17.849 2.529 1.161 1.00 0.00 C ATOM 45 CG TYR A 3 18.442 1.585 0.114 1.00 0.00 C ATOM 46 CD1 TYR A 3 17.691 0.533 -0.371 1.00 0.00 C ATOM 47 CD2 TYR A 3 19.729 1.783 -0.346 1.00 0.00 C ATOM 48 CE1 TYR A 3 18.249 -0.355 -1.357 1.00 0.00 C ATOM 49 CE2 TYR A 3 20.286 0.894 -1.332 1.00 0.00 C ATOM 50 CZ TYR A 3 19.519 -0.131 -1.789 1.00 0.00 C ATOM 51 OH TYR A 3 20.046 -0.971 -2.720 1.00 0.00 O ATOM 0 H TYR A 3 15.454 2.030 3.284 1.00 0.00 H new ATOM 0 HA TYR A 3 17.074 0.788 2.242 1.00 0.00 H new ATOM 0 HB2 TYR A 3 17.019 3.076 0.713 1.00 0.00 H new ATOM 0 HB3 TYR A 3 18.603 3.266 1.439 1.00 0.00 H new ATOM 0 HD1 TYR A 3 16.685 0.376 -0.011 1.00 0.00 H new ATOM 0 HD2 TYR A 3 20.318 2.605 0.034 1.00 0.00 H new ATOM 0 HE1 TYR A 3 17.672 -1.181 -1.745 1.00 0.00 H new ATOM 0 HE2 TYR A 3 21.291 1.038 -1.700 1.00 0.00 H new ATOM 0 HH TYR A 3 20.960 -0.689 -2.935 1.00 0.00 H new ATOM 60 N LYS A 4 18.449 2.848 4.312 1.00 0.00 N ATOM 61 CA LYS A 4 19.451 2.979 5.356 1.00 0.00 C ATOM 62 C LYS A 4 18.875 2.469 6.677 1.00 0.00 C ATOM 63 O LYS A 4 19.112 3.057 7.732 1.00 0.00 O ATOM 64 CB LYS A 4 19.968 4.419 5.426 1.00 0.00 C ATOM 65 CG LYS A 4 20.989 4.689 4.319 1.00 0.00 C ATOM 66 CD LYS A 4 20.339 5.406 3.135 1.00 0.00 C ATOM 67 CE LYS A 4 20.358 6.923 3.337 1.00 0.00 C ATOM 68 NZ LYS A 4 19.017 7.496 3.082 1.00 0.00 N ATOM 0 H LYS A 4 17.752 3.593 4.293 1.00 0.00 H new ATOM 0 HA LYS A 4 20.321 2.363 5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.133 5.114 5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.425 4.598 6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.805 5.295 4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 4 21.424 3.748 3.984 1.00 0.00 H new ATOM 0 HD2 LYS A 4 20.867 5.151 2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 4 19.311 5.064 3.017 1.00 0.00 H new ATOM 0 HE2 LYS A 4 20.673 7.157 4.354 1.00 0.00 H new ATOM 0 HE3 LYS A 4 21.087 7.376 2.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 19.047 8.526 3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 18.731 7.289 2.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 18.329 7.076 3.740 1.00 0.00 H new ATOM 78 N GLY A 5 18.129 1.378 6.579 1.00 0.00 N ATOM 79 CA GLY A 5 17.516 0.781 7.753 1.00 0.00 C ATOM 80 C GLY A 5 18.580 0.237 8.710 1.00 0.00 C ATOM 81 O GLY A 5 18.298 -0.013 9.880 1.00 0.00 O ATOM 0 H GLY A 5 17.935 0.892 5.704 1.00 0.00 H new ATOM 0 HA2 GLY A 5 16.905 1.524 8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 5 16.849 -0.025 7.449 1.00 0.00 H new ATOM 85 N VAL A 6 19.781 0.070 8.175 1.00 0.00 N ATOM 86 CA VAL A 6 20.887 -0.440 8.965 1.00 0.00 C ATOM 87 C VAL A 6 21.259 0.588 10.037 1.00 0.00 C ATOM 88 O VAL A 6 21.483 0.231 11.193 1.00 0.00 O ATOM 89 CB VAL A 6 22.060 -0.801 8.052 1.00 0.00 C ATOM 90 CG1 VAL A 6 21.576 -1.553 6.810 1.00 0.00 C ATOM 91 CG2 VAL A 6 22.857 0.445 7.664 1.00 0.00 C ATOM 0 H VAL A 6 20.011 0.279 7.204 1.00 0.00 H new ATOM 0 HA VAL A 6 20.598 -1.357 9.479 1.00 0.00 H new ATOM 0 HB VAL A 6 22.725 -1.463 8.606 1.00 0.00 H new ATOM 0 HG11 VAL A 6 22.429 -1.798 6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 6 21.074 -2.472 7.114 1.00 0.00 H new ATOM 0 HG13 VAL A 6 20.880 -0.926 6.253 1.00 0.00 H new ATOM 0 HG21 VAL A 6 23.685 0.160 7.015 1.00 0.00 H new ATOM 0 HG22 VAL A 6 22.207 1.143 7.137 1.00 0.00 H new ATOM 0 HG23 VAL A 6 23.248 0.921 8.563 1.00 0.00 H new ATOM 101 N ILE A 7 21.314 1.842 9.615 1.00 0.00 N ATOM 102 CA ILE A 7 21.654 2.924 10.523 1.00 0.00 C ATOM 103 C ILE A 7 20.494 3.151 11.496 1.00 0.00 C ATOM 104 O ILE A 7 20.696 3.647 12.602 1.00 0.00 O ATOM 105 CB ILE A 7 22.054 4.175 9.740 1.00 0.00 C ATOM 106 CG1 ILE A 7 23.402 3.980 9.044 1.00 0.00 C ATOM 107 CG2 ILE A 7 22.047 5.411 10.642 1.00 0.00 C ATOM 108 CD1 ILE A 7 23.249 4.045 7.524 1.00 0.00 C ATOM 0 H ILE A 7 21.129 2.133 8.655 1.00 0.00 H new ATOM 0 HA ILE A 7 22.526 2.659 11.122 1.00 0.00 H new ATOM 0 HB ILE A 7 21.311 4.341 8.960 1.00 0.00 H new ATOM 0 HG12 ILE A 7 24.101 4.748 9.376 1.00 0.00 H new ATOM 0 HG13 ILE A 7 23.827 3.018 9.329 1.00 0.00 H new ATOM 0 HG21 ILE A 7 22.335 6.287 10.061 1.00 0.00 H new ATOM 0 HG22 ILE A 7 21.047 5.558 11.049 1.00 0.00 H new ATOM 0 HG23 ILE A 7 22.754 5.269 11.459 1.00 0.00 H new ATOM 0 HD11 ILE A 7 24.222 3.903 7.054 1.00 0.00 H new ATOM 0 HD12 ILE A 7 22.569 3.261 7.193 1.00 0.00 H new ATOM 0 HD13 ILE A 7 22.847 5.018 7.240 1.00 0.00 H new ATOM 119 N GLN A 8 19.305 2.775 11.047 1.00 0.00 N ATOM 120 CA GLN A 8 18.114 2.932 11.864 1.00 0.00 C ATOM 121 C GLN A 8 18.139 1.945 13.033 1.00 0.00 C ATOM 122 O GLN A 8 17.856 2.318 14.171 1.00 0.00 O ATOM 123 CB GLN A 8 16.847 2.755 11.026 1.00 0.00 C ATOM 124 CG GLN A 8 15.721 3.655 11.538 1.00 0.00 C ATOM 125 CD GLN A 8 15.037 3.037 12.758 1.00 0.00 C ATOM 126 OE1 GLN A 8 15.510 3.128 13.880 1.00 0.00 O ATOM 127 NE2 GLN A 8 13.901 2.403 12.479 1.00 0.00 N ATOM 0 H GLN A 8 19.141 2.362 10.129 1.00 0.00 H new ATOM 0 HA GLN A 8 18.105 3.944 12.268 1.00 0.00 H new ATOM 0 HB2 GLN A 8 17.060 2.991 9.983 1.00 0.00 H new ATOM 0 HB3 GLN A 8 16.528 1.713 11.058 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.123 4.634 11.799 1.00 0.00 H new ATOM 0 HG3 GLN A 8 14.988 3.812 10.747 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.561 2.364 11.518 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.370 1.956 13.226 1.00 0.00 H new ATOM 134 N ALA A 9 18.479 0.705 12.713 1.00 0.00 N ATOM 135 CA ALA A 9 18.545 -0.338 13.723 1.00 0.00 C ATOM 136 C ALA A 9 19.701 -0.042 14.681 1.00 0.00 C ATOM 137 O ALA A 9 19.542 -0.134 15.897 1.00 0.00 O ATOM 138 CB ALA A 9 18.686 -1.700 13.041 1.00 0.00 C ATOM 0 H ALA A 9 18.712 0.399 11.768 1.00 0.00 H new ATOM 0 HA ALA A 9 17.628 -0.362 14.312 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.736 -2.483 13.798 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.826 -1.874 12.395 1.00 0.00 H new ATOM 0 HB3 ALA A 9 19.597 -1.715 12.443 1.00 0.00 H new ATOM 144 N ILE A 10 20.838 0.306 14.097 1.00 0.00 N ATOM 145 CA ILE A 10 22.019 0.615 14.883 1.00 0.00 C ATOM 146 C ILE A 10 21.746 1.852 15.740 1.00 0.00 C ATOM 147 O ILE A 10 22.375 2.043 16.780 1.00 0.00 O ATOM 148 CB ILE A 10 23.245 0.752 13.977 1.00 0.00 C ATOM 149 CG1 ILE A 10 23.549 -0.566 13.263 1.00 0.00 C ATOM 150 CG2 ILE A 10 24.452 1.270 14.763 1.00 0.00 C ATOM 151 CD1 ILE A 10 24.314 -1.523 14.178 1.00 0.00 C ATOM 0 H ILE A 10 20.966 0.381 13.088 1.00 0.00 H new ATOM 0 HA ILE A 10 22.247 -0.203 15.567 1.00 0.00 H new ATOM 0 HB ILE A 10 23.020 1.491 13.207 1.00 0.00 H new ATOM 0 HG12 ILE A 10 22.618 -1.032 12.941 1.00 0.00 H new ATOM 0 HG13 ILE A 10 24.135 -0.370 12.365 1.00 0.00 H new ATOM 0 HG21 ILE A 10 25.310 1.358 14.096 1.00 0.00 H new ATOM 0 HG22 ILE A 10 24.219 2.247 15.186 1.00 0.00 H new ATOM 0 HG23 ILE A 10 24.688 0.574 15.568 1.00 0.00 H new ATOM 0 HD11 ILE A 10 24.517 -2.452 13.645 1.00 0.00 H new ATOM 0 HD12 ILE A 10 25.256 -1.064 14.479 1.00 0.00 H new ATOM 0 HD13 ILE A 10 23.715 -1.736 15.064 1.00 0.00 H new ATOM 162 N GLN A 11 20.807 2.662 15.272 1.00 0.00 N ATOM 163 CA GLN A 11 20.445 3.876 15.983 1.00 0.00 C ATOM 164 C GLN A 11 19.671 3.533 17.258 1.00 0.00 C ATOM 165 O GLN A 11 19.970 4.057 18.330 1.00 0.00 O ATOM 166 CB GLN A 11 19.635 4.815 15.087 1.00 0.00 C ATOM 167 CG GLN A 11 20.471 6.024 14.663 1.00 0.00 C ATOM 168 CD GLN A 11 20.612 7.023 15.815 1.00 0.00 C ATOM 169 OE1 GLN A 11 20.647 6.665 16.981 1.00 0.00 O ATOM 170 NE2 GLN A 11 20.690 8.292 15.424 1.00 0.00 N ATOM 0 H GLN A 11 20.287 2.501 14.410 1.00 0.00 H new ATOM 0 HA GLN A 11 21.361 4.396 16.265 1.00 0.00 H new ATOM 0 HB2 GLN A 11 19.294 4.276 14.203 1.00 0.00 H new ATOM 0 HB3 GLN A 11 18.745 5.152 15.618 1.00 0.00 H new ATOM 0 HG2 GLN A 11 21.458 5.693 14.341 1.00 0.00 H new ATOM 0 HG3 GLN A 11 20.003 6.512 13.808 1.00 0.00 H new ATOM 0 HE21 GLN A 11 20.654 8.523 14.431 1.00 0.00 H new ATOM 0 HE22 GLN A 11 20.785 9.034 16.117 1.00 0.00 H new ATOM 177 N LYS A 12 18.691 2.655 17.099 1.00 0.00 N ATOM 178 CA LYS A 12 17.872 2.237 18.224 1.00 0.00 C ATOM 179 C LYS A 12 18.779 1.801 19.375 1.00 0.00 C ATOM 180 O LYS A 12 18.489 2.076 20.539 1.00 0.00 O ATOM 181 CB LYS A 12 16.872 1.163 17.789 1.00 0.00 C ATOM 182 CG LYS A 12 15.568 1.795 17.298 1.00 0.00 C ATOM 183 CD LYS A 12 14.971 0.991 16.142 1.00 0.00 C ATOM 184 CE LYS A 12 14.483 -0.378 16.619 1.00 0.00 C ATOM 185 NZ LYS A 12 14.123 -1.232 15.466 1.00 0.00 N ATOM 0 H LYS A 12 18.446 2.222 16.209 1.00 0.00 H new ATOM 0 HA LYS A 12 17.272 3.071 18.588 1.00 0.00 H new ATOM 0 HB2 LYS A 12 17.307 0.556 16.995 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.664 0.495 18.625 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.852 1.845 18.119 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.755 2.819 16.975 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.141 1.543 15.701 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.719 0.862 15.360 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.261 -0.863 17.209 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.619 -0.255 17.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.794 -2.157 15.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.365 -0.776 14.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.957 -1.364 14.858 1.00 0.00 H new ATOM 195 N SER A 13 19.861 1.127 19.012 1.00 0.00 N ATOM 196 CA SER A 13 20.814 0.651 20.000 1.00 0.00 C ATOM 197 C SER A 13 21.764 1.782 20.400 1.00 0.00 C ATOM 198 O SER A 13 22.339 1.759 21.487 1.00 0.00 O ATOM 199 CB SER A 13 21.606 -0.546 19.470 1.00 0.00 C ATOM 200 OG SER A 13 20.754 -1.552 18.930 1.00 0.00 O ATOM 0 H SER A 13 20.099 0.899 18.047 1.00 0.00 H new ATOM 0 HA SER A 13 20.259 0.324 20.879 1.00 0.00 H new ATOM 0 HB2 SER A 13 22.302 -0.209 18.701 1.00 0.00 H new ATOM 0 HB3 SER A 13 22.203 -0.971 20.276 1.00 0.00 H new ATOM 0 HG SER A 13 21.297 -2.298 18.601 1.00 0.00 H new ATOM 205 N ASP A 14 21.899 2.743 19.499 1.00 0.00 N ATOM 206 CA ASP A 14 22.769 3.881 19.743 1.00 0.00 C ATOM 207 C ASP A 14 22.055 4.878 20.657 1.00 0.00 C ATOM 208 O ASP A 14 22.699 5.605 21.413 1.00 0.00 O ATOM 209 CB ASP A 14 23.115 4.600 18.439 1.00 0.00 C ATOM 210 CG ASP A 14 24.251 5.620 18.543 1.00 0.00 C ATOM 211 OD1 ASP A 14 24.894 5.645 19.614 1.00 0.00 O ATOM 212 OD2 ASP A 14 24.449 6.352 17.549 1.00 0.00 O ATOM 0 H ASP A 14 21.420 2.757 18.598 1.00 0.00 H new ATOM 0 HA ASP A 14 23.684 3.511 20.205 1.00 0.00 H new ATOM 0 HB2 ASP A 14 23.384 3.854 17.691 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.223 5.109 18.075 1.00 0.00 H new ATOM 216 N GLU A 15 20.733 4.879 20.561 1.00 0.00 N ATOM 217 CA GLU A 15 19.924 5.774 21.369 1.00 0.00 C ATOM 218 C GLU A 15 19.352 5.028 22.577 1.00 0.00 C ATOM 219 O GLU A 15 19.089 5.630 23.616 1.00 0.00 O ATOM 220 CB GLU A 15 18.808 6.407 20.537 1.00 0.00 C ATOM 221 CG GLU A 15 18.951 7.931 20.498 1.00 0.00 C ATOM 222 CD GLU A 15 18.890 8.524 21.907 1.00 0.00 C ATOM 223 OE1 GLU A 15 17.823 8.372 22.541 1.00 0.00 O ATOM 224 OE2 GLU A 15 19.912 9.114 22.319 1.00 0.00 O ATOM 0 H GLU A 15 20.202 4.273 19.935 1.00 0.00 H new ATOM 0 HA GLU A 15 20.562 6.580 21.733 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.835 6.009 19.522 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.839 6.140 20.958 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.897 8.199 20.027 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.158 8.359 19.885 1.00 0.00 H new ATOM 229 N GLY A 16 19.175 3.726 22.398 1.00 0.00 N ATOM 230 CA GLY A 16 18.639 2.892 23.460 1.00 0.00 C ATOM 231 C GLY A 16 17.555 3.632 24.244 1.00 0.00 C ATOM 232 O GLY A 16 17.608 3.699 25.472 1.00 0.00 O ATOM 0 H GLY A 16 19.393 3.229 21.534 1.00 0.00 H new ATOM 0 HA2 GLY A 16 18.225 1.977 23.035 1.00 0.00 H new ATOM 0 HA3 GLY A 16 19.442 2.595 24.135 1.00 0.00 H new ATOM 236 N HIS A 17 16.596 4.169 23.505 1.00 0.00 N ATOM 237 CA HIS A 17 15.500 4.903 24.116 1.00 0.00 C ATOM 238 C HIS A 17 14.166 4.306 23.663 1.00 0.00 C ATOM 239 O HIS A 17 14.038 3.854 22.526 1.00 0.00 O ATOM 240 CB HIS A 17 15.613 6.398 23.816 1.00 0.00 C ATOM 241 CG HIS A 17 15.095 7.288 24.920 1.00 0.00 C ATOM 242 ND1 HIS A 17 13.952 8.027 25.008 1.00 0.00 N flip ATOM 243 CD2 HIS A 17 15.782 7.489 26.106 1.00 0.00 C flip ATOM 244 CE1 HIS A 17 13.940 8.645 26.183 1.00 0.00 C flip ATOM 245 NE2 HIS A 17 15.074 8.312 26.865 1.00 0.00 N flip ATOM 0 H HIS A 17 16.555 4.111 22.488 1.00 0.00 H new ATOM 0 HA HIS A 17 15.552 4.805 25.200 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.658 6.642 23.627 1.00 0.00 H new ATOM 0 HB3 HIS A 17 15.064 6.617 22.900 1.00 0.00 H new ATOM 0 HD2 HIS A 17 16.733 7.049 26.367 1.00 0.00 H new ATOM 0 HE1 HIS A 17 13.161 9.303 26.540 1.00 0.00 H new ATOM 0 HE2 HIS A 17 15.331 8.639 27.796 1.00 0.00 H new ATOM 253 N PRO A 18 13.181 4.323 24.600 1.00 0.00 N ATOM 254 CA PRO A 18 11.862 3.789 24.309 1.00 0.00 C ATOM 255 C PRO A 18 11.071 4.742 23.410 1.00 0.00 C ATOM 256 O PRO A 18 9.981 5.182 23.772 1.00 0.00 O ATOM 257 CB PRO A 18 11.213 3.579 25.667 1.00 0.00 C ATOM 258 CG PRO A 18 12.006 4.432 26.644 1.00 0.00 C ATOM 259 CD PRO A 18 13.296 4.849 25.957 1.00 0.00 C ATOM 0 HA PRO A 18 11.901 2.853 23.752 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.165 3.878 25.649 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.240 2.528 25.955 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.430 5.309 26.940 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.222 3.871 27.553 1.00 0.00 H new ATOM 0 HD2 PRO A 18 13.410 5.933 25.953 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.167 4.439 26.468 1.00 0.00 H new ATOM 264 N PHE A 19 11.651 5.032 22.254 1.00 0.00 N ATOM 265 CA PHE A 19 11.014 5.924 21.301 1.00 0.00 C ATOM 266 C PHE A 19 10.410 5.139 20.134 1.00 0.00 C ATOM 267 O PHE A 19 9.434 5.576 19.526 1.00 0.00 O ATOM 268 CB PHE A 19 12.104 6.855 20.763 1.00 0.00 C ATOM 269 CG PHE A 19 11.570 8.013 19.918 1.00 0.00 C ATOM 270 CD1 PHE A 19 10.765 8.953 20.482 1.00 0.00 C ATOM 271 CD2 PHE A 19 11.901 8.104 18.602 1.00 0.00 C ATOM 272 CE1 PHE A 19 10.270 10.027 19.698 1.00 0.00 C ATOM 273 CE2 PHE A 19 11.407 9.180 17.818 1.00 0.00 C ATOM 274 CZ PHE A 19 10.601 10.119 18.383 1.00 0.00 C ATOM 0 H PHE A 19 12.555 4.665 21.956 1.00 0.00 H new ATOM 0 HA PHE A 19 10.210 6.476 21.788 1.00 0.00 H new ATOM 0 HB2 PHE A 19 12.668 7.261 21.603 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.802 6.272 20.162 1.00 0.00 H new ATOM 0 HD1 PHE A 19 10.502 8.882 21.527 1.00 0.00 H new ATOM 0 HD2 PHE A 19 12.540 7.358 18.153 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.630 10.772 20.147 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.671 9.253 16.773 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.224 10.937 17.787 1.00 0.00 H new ATOM 283 N ARG A 20 11.015 3.993 19.857 1.00 0.00 N ATOM 284 CA ARG A 20 10.549 3.143 18.775 1.00 0.00 C ATOM 285 C ARG A 20 9.605 2.066 19.315 1.00 0.00 C ATOM 286 O ARG A 20 8.502 1.890 18.802 1.00 0.00 O ATOM 287 CB ARG A 20 11.722 2.471 18.058 1.00 0.00 C ATOM 288 CG ARG A 20 12.563 3.500 17.299 1.00 0.00 C ATOM 289 CD ARG A 20 12.062 3.665 15.862 1.00 0.00 C ATOM 290 NE ARG A 20 12.008 5.101 15.508 1.00 0.00 N ATOM 291 CZ ARG A 20 11.651 5.564 14.302 1.00 0.00 C ATOM 292 NH1 ARG A 20 11.315 4.707 13.328 1.00 0.00 N ATOM 293 NH2 ARG A 20 11.630 6.883 14.070 1.00 0.00 N ATOM 0 H ARG A 20 11.824 3.633 20.364 1.00 0.00 H new ATOM 0 HA ARG A 20 10.017 3.774 18.063 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.346 1.950 18.784 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.346 1.720 17.363 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.523 4.460 17.815 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.607 3.187 17.290 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.723 3.137 15.175 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.073 3.219 15.759 1.00 0.00 H new ATOM 0 HE ARG A 20 12.258 5.781 16.226 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.331 3.703 13.505 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.043 5.059 12.410 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.886 7.535 14.811 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.358 7.235 13.152 1.00 0.00 H new ATOM 304 N ALA A 21 10.075 1.374 20.342 1.00 0.00 N ATOM 305 CA ALA A 21 9.286 0.320 20.957 1.00 0.00 C ATOM 306 C ALA A 21 7.947 0.895 21.422 1.00 0.00 C ATOM 307 O ALA A 21 6.979 0.157 21.601 1.00 0.00 O ATOM 308 CB ALA A 21 10.080 -0.309 22.104 1.00 0.00 C ATOM 0 H ALA A 21 10.992 1.522 20.764 1.00 0.00 H new ATOM 0 HA ALA A 21 9.073 -0.469 20.236 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.488 -1.100 22.565 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.008 -0.729 21.716 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.310 0.453 22.848 1.00 0.00 H new ATOM 314 N TYR A 22 7.935 2.207 21.604 1.00 0.00 N ATOM 315 CA TYR A 22 6.730 2.890 22.044 1.00 0.00 C ATOM 316 C TYR A 22 5.748 3.074 20.885 1.00 0.00 C ATOM 317 O TYR A 22 4.542 3.177 21.099 1.00 0.00 O ATOM 318 CB TYR A 22 7.181 4.266 22.538 1.00 0.00 C ATOM 319 CG TYR A 22 6.280 4.866 23.619 1.00 0.00 C ATOM 320 CD1 TYR A 22 6.105 4.203 24.817 1.00 0.00 C ATOM 321 CD2 TYR A 22 5.643 6.070 23.396 1.00 0.00 C ATOM 322 CE1 TYR A 22 5.257 4.768 25.834 1.00 0.00 C ATOM 323 CE2 TYR A 22 4.795 6.635 24.413 1.00 0.00 C ATOM 324 CZ TYR A 22 4.643 5.956 25.583 1.00 0.00 C ATOM 325 OH TYR A 22 3.843 6.490 26.543 1.00 0.00 O ATOM 0 H TYR A 22 8.740 2.815 21.455 1.00 0.00 H new ATOM 0 HA TYR A 22 6.224 2.313 22.818 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.195 4.186 22.929 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.219 4.950 21.690 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.604 3.261 24.991 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.781 6.588 22.459 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.111 4.260 26.776 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.291 7.576 24.251 1.00 0.00 H new ATOM 0 HH TYR A 22 3.473 7.340 26.225 1.00 0.00 H new ATOM 334 N LEU A 23 6.303 3.109 19.682 1.00 0.00 N ATOM 335 CA LEU A 23 5.492 3.279 18.489 1.00 0.00 C ATOM 336 C LEU A 23 4.877 1.933 18.101 1.00 0.00 C ATOM 337 O LEU A 23 3.658 1.812 17.992 1.00 0.00 O ATOM 338 CB LEU A 23 6.312 3.926 17.371 1.00 0.00 C ATOM 339 CG LEU A 23 5.675 5.139 16.689 1.00 0.00 C ATOM 340 CD1 LEU A 23 6.701 5.888 15.835 1.00 0.00 C ATOM 341 CD2 LEU A 23 4.445 4.727 15.877 1.00 0.00 C ATOM 0 H LEU A 23 7.304 3.022 19.508 1.00 0.00 H new ATOM 0 HA LEU A 23 4.666 3.964 18.683 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.275 4.229 17.782 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.513 3.171 16.611 1.00 0.00 H new ATOM 0 HG LEU A 23 5.335 5.828 17.462 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.223 6.746 15.361 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.519 6.232 16.468 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.092 5.220 15.067 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.011 5.607 15.402 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.738 4.009 15.111 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.708 4.271 16.538 1.00 0.00 H new ATOM 352 N GLU A 24 5.749 0.956 17.900 1.00 0.00 N ATOM 353 CA GLU A 24 5.307 -0.376 17.526 1.00 0.00 C ATOM 354 C GLU A 24 4.393 -0.956 18.608 1.00 0.00 C ATOM 355 O GLU A 24 3.531 -1.785 18.319 1.00 0.00 O ATOM 356 CB GLU A 24 6.500 -1.297 17.265 1.00 0.00 C ATOM 357 CG GLU A 24 6.942 -1.222 15.802 1.00 0.00 C ATOM 358 CD GLU A 24 6.001 -2.028 14.904 1.00 0.00 C ATOM 359 OE1 GLU A 24 4.937 -1.474 14.554 1.00 0.00 O ATOM 360 OE2 GLU A 24 6.369 -3.181 14.587 1.00 0.00 O ATOM 0 H GLU A 24 6.760 1.061 17.989 1.00 0.00 H new ATOM 0 HA GLU A 24 4.738 -0.301 16.599 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.329 -1.016 17.914 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.233 -2.324 17.516 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.959 -0.182 15.476 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.959 -1.603 15.705 1.00 0.00 H new ATOM 365 N SER A 25 4.613 -0.497 19.831 1.00 0.00 N ATOM 366 CA SER A 25 3.819 -0.960 20.957 1.00 0.00 C ATOM 367 C SER A 25 2.366 -0.512 20.793 1.00 0.00 C ATOM 368 O SER A 25 1.452 -1.336 20.814 1.00 0.00 O ATOM 369 CB SER A 25 4.388 -0.442 22.281 1.00 0.00 C ATOM 370 OG SER A 25 5.443 -1.268 22.768 1.00 0.00 O ATOM 0 H SER A 25 5.329 0.190 20.067 1.00 0.00 H new ATOM 0 HA SER A 25 3.856 -2.049 20.977 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.757 0.574 22.144 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.592 -0.395 23.024 1.00 0.00 H new ATOM 0 HG SER A 25 6.305 -0.836 22.591 1.00 0.00 H new ATOM 375 N GLU A 26 2.196 0.793 20.633 1.00 0.00 N ATOM 376 CA GLU A 26 0.869 1.359 20.466 1.00 0.00 C ATOM 377 C GLU A 26 0.195 0.774 19.223 1.00 0.00 C ATOM 378 O GLU A 26 -1.030 0.800 19.107 1.00 0.00 O ATOM 379 CB GLU A 26 0.930 2.886 20.389 1.00 0.00 C ATOM 380 CG GLU A 26 0.676 3.516 21.760 1.00 0.00 C ATOM 381 CD GLU A 26 1.949 4.161 22.311 1.00 0.00 C ATOM 382 OE1 GLU A 26 2.381 5.169 21.710 1.00 0.00 O ATOM 383 OE2 GLU A 26 2.462 3.632 23.321 1.00 0.00 O ATOM 0 H GLU A 26 2.955 1.474 20.616 1.00 0.00 H new ATOM 0 HA GLU A 26 0.270 1.095 21.338 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.907 3.196 20.018 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.189 3.247 19.676 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.111 4.266 21.679 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.320 2.754 22.454 1.00 0.00 H new ATOM 388 N VAL A 27 1.024 0.260 18.326 1.00 0.00 N ATOM 389 CA VAL A 27 0.523 -0.331 17.097 1.00 0.00 C ATOM 390 C VAL A 27 0.056 -1.761 17.377 1.00 0.00 C ATOM 391 O VAL A 27 -0.979 -2.190 16.869 1.00 0.00 O ATOM 392 CB VAL A 27 1.593 -0.254 16.006 1.00 0.00 C ATOM 393 CG1 VAL A 27 1.135 -0.978 14.738 1.00 0.00 C ATOM 394 CG2 VAL A 27 1.964 1.199 15.704 1.00 0.00 C ATOM 0 H VAL A 27 2.039 0.241 18.426 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.339 0.226 16.729 1.00 0.00 H new ATOM 0 HB VAL A 27 2.486 -0.758 16.376 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.913 -0.909 13.978 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.944 -2.026 14.967 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.221 -0.515 14.365 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.726 1.226 14.925 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.079 1.737 15.364 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.351 1.671 16.607 1.00 0.00 H new ATOM 404 N ALA A 28 0.841 -2.459 18.184 1.00 0.00 N ATOM 405 CA ALA A 28 0.521 -3.832 18.536 1.00 0.00 C ATOM 406 C ALA A 28 -0.588 -3.838 19.591 1.00 0.00 C ATOM 407 O ALA A 28 -1.323 -4.814 19.717 1.00 0.00 O ATOM 408 CB ALA A 28 1.787 -4.543 19.019 1.00 0.00 C ATOM 0 H ALA A 28 1.698 -2.100 18.604 1.00 0.00 H new ATOM 0 HA ALA A 28 0.152 -4.375 17.666 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.548 -5.573 19.283 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.534 -4.536 18.225 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.183 -4.027 19.894 1.00 0.00 H new ATOM 414 N ILE A 29 -0.671 -2.735 20.321 1.00 0.00 N ATOM 415 CA ILE A 29 -1.678 -2.600 21.360 1.00 0.00 C ATOM 416 C ILE A 29 -3.049 -2.392 20.714 1.00 0.00 C ATOM 417 O ILE A 29 -4.069 -2.792 21.270 1.00 0.00 O ATOM 418 CB ILE A 29 -1.288 -1.495 22.344 1.00 0.00 C ATOM 419 CG1 ILE A 29 -1.539 -1.933 23.789 1.00 0.00 C ATOM 420 CG2 ILE A 29 -2.004 -0.186 22.010 1.00 0.00 C ATOM 421 CD1 ILE A 29 -3.019 -1.798 24.153 1.00 0.00 C ATOM 0 H ILE A 29 -0.058 -1.927 20.214 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.740 -3.514 21.950 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.218 -1.312 22.244 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.221 -2.968 23.920 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.937 -1.327 24.466 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.709 0.583 22.724 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.732 0.131 21.003 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.082 -0.337 22.064 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.170 -2.116 25.185 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.327 -0.758 24.045 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.615 -2.424 23.489 1.00 0.00 H new ATOM 432 N SER A 30 -3.027 -1.764 19.546 1.00 0.00 N ATOM 433 CA SER A 30 -4.255 -1.498 18.817 1.00 0.00 C ATOM 434 C SER A 30 -4.747 -2.776 18.135 1.00 0.00 C ATOM 435 O SER A 30 -5.952 -2.987 18.000 1.00 0.00 O ATOM 436 CB SER A 30 -4.052 -0.389 17.783 1.00 0.00 C ATOM 437 OG SER A 30 -3.673 0.844 18.388 1.00 0.00 O ATOM 0 H SER A 30 -2.178 -1.432 19.088 1.00 0.00 H new ATOM 0 HA SER A 30 -5.009 -1.161 19.529 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.285 -0.694 17.071 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.973 -0.247 17.218 1.00 0.00 H new ATOM 0 HG SER A 30 -2.722 0.814 18.625 1.00 0.00 H new ATOM 442 N GLU A 31 -3.790 -3.595 17.724 1.00 0.00 N ATOM 443 CA GLU A 31 -4.111 -4.847 17.061 1.00 0.00 C ATOM 444 C GLU A 31 -5.105 -5.653 17.899 1.00 0.00 C ATOM 445 O GLU A 31 -5.857 -6.468 17.365 1.00 0.00 O ATOM 446 CB GLU A 31 -2.846 -5.660 16.780 1.00 0.00 C ATOM 447 CG GLU A 31 -3.193 -7.045 16.231 1.00 0.00 C ATOM 448 CD GLU A 31 -1.937 -7.904 16.076 1.00 0.00 C ATOM 449 OE1 GLU A 31 -1.372 -8.276 17.127 1.00 0.00 O ATOM 450 OE2 GLU A 31 -1.571 -8.171 14.911 1.00 0.00 O ATOM 0 H GLU A 31 -2.792 -3.416 17.837 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.576 -4.617 16.102 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.219 -5.128 16.064 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.265 -5.764 17.697 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.896 -7.540 16.901 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.690 -6.944 15.266 1.00 0.00 H new ATOM 455 N GLU A 32 -5.077 -5.399 19.199 1.00 0.00 N ATOM 456 CA GLU A 32 -5.967 -6.090 20.117 1.00 0.00 C ATOM 457 C GLU A 32 -7.346 -5.429 20.119 1.00 0.00 C ATOM 458 O GLU A 32 -8.348 -6.075 20.424 1.00 0.00 O ATOM 459 CB GLU A 32 -5.375 -6.131 21.527 1.00 0.00 C ATOM 460 CG GLU A 32 -5.119 -7.571 21.973 1.00 0.00 C ATOM 461 CD GLU A 32 -4.873 -7.643 23.482 1.00 0.00 C ATOM 462 OE1 GLU A 32 -3.932 -6.957 23.936 1.00 0.00 O ATOM 463 OE2 GLU A 32 -5.631 -8.383 24.146 1.00 0.00 O ATOM 0 H GLU A 32 -4.452 -4.724 19.639 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.081 -7.119 19.777 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.442 -5.568 21.550 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.057 -5.646 22.226 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.974 -8.194 21.710 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.257 -7.972 21.441 1.00 0.00 H new ATOM 468 N LEU A 33 -7.354 -4.149 19.776 1.00 0.00 N ATOM 469 CA LEU A 33 -8.594 -3.393 19.735 1.00 0.00 C ATOM 470 C LEU A 33 -9.484 -3.941 18.618 1.00 0.00 C ATOM 471 O LEU A 33 -10.687 -4.113 18.806 1.00 0.00 O ATOM 472 CB LEU A 33 -8.305 -1.895 19.612 1.00 0.00 C ATOM 473 CG LEU A 33 -8.634 -1.045 20.840 1.00 0.00 C ATOM 474 CD1 LEU A 33 -7.560 0.019 21.075 1.00 0.00 C ATOM 475 CD2 LEU A 33 -10.031 -0.432 20.726 1.00 0.00 C ATOM 0 H LEU A 33 -6.521 -3.617 19.524 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.144 -3.513 20.669 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.248 -1.767 19.379 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.868 -1.505 18.764 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.639 -1.697 21.713 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.819 0.609 21.954 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.597 -0.465 21.234 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.499 0.672 20.205 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.239 0.167 21.612 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.079 0.202 19.840 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.772 -1.227 20.644 1.00 0.00 H new ATOM 486 N VAL A 34 -8.858 -4.202 17.480 1.00 0.00 N ATOM 487 CA VAL A 34 -9.578 -4.727 16.332 1.00 0.00 C ATOM 488 C VAL A 34 -10.224 -6.062 16.709 1.00 0.00 C ATOM 489 O VAL A 34 -11.209 -6.472 16.098 1.00 0.00 O ATOM 490 CB VAL A 34 -8.638 -4.836 15.130 1.00 0.00 C ATOM 491 CG1 VAL A 34 -7.582 -5.920 15.357 1.00 0.00 C ATOM 492 CG2 VAL A 34 -9.423 -5.095 13.843 1.00 0.00 C ATOM 0 H VAL A 34 -7.859 -4.060 17.328 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.379 -4.048 16.040 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.121 -3.883 15.020 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.927 -5.977 14.488 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.993 -5.674 16.240 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.074 -6.882 15.505 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.732 -5.168 13.004 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.979 -6.028 13.938 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.118 -4.274 13.670 1.00 0.00 H new ATOM 502 N GLN A 35 -9.642 -6.702 17.713 1.00 0.00 N ATOM 503 CA GLN A 35 -10.150 -7.982 18.179 1.00 0.00 C ATOM 504 C GLN A 35 -11.253 -7.770 19.217 1.00 0.00 C ATOM 505 O GLN A 35 -12.168 -8.585 19.332 1.00 0.00 O ATOM 506 CB GLN A 35 -9.021 -8.845 18.747 1.00 0.00 C ATOM 507 CG GLN A 35 -8.635 -9.955 17.768 1.00 0.00 C ATOM 508 CD GLN A 35 -9.686 -11.066 17.756 1.00 0.00 C ATOM 509 OE1 GLN A 35 -9.935 -11.732 18.747 1.00 0.00 O ATOM 510 NE2 GLN A 35 -10.288 -11.229 16.581 1.00 0.00 N ATOM 0 H GLN A 35 -8.824 -6.359 18.217 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.577 -8.513 17.328 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.152 -8.221 18.957 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.335 -9.283 19.694 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.528 -9.540 16.766 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.666 -10.369 18.046 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.032 -10.637 15.791 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.005 -11.946 16.471 1.00 0.00 H new ATOM 517 N LYS A 36 -11.132 -6.670 19.946 1.00 0.00 N ATOM 518 CA LYS A 36 -12.108 -6.341 20.971 1.00 0.00 C ATOM 519 C LYS A 36 -13.448 -6.017 20.307 1.00 0.00 C ATOM 520 O LYS A 36 -14.506 -6.217 20.903 1.00 0.00 O ATOM 521 CB LYS A 36 -11.581 -5.223 21.872 1.00 0.00 C ATOM 522 CG LYS A 36 -12.196 -5.311 23.271 1.00 0.00 C ATOM 523 CD LYS A 36 -11.275 -6.073 24.227 1.00 0.00 C ATOM 524 CE LYS A 36 -11.981 -7.301 24.805 1.00 0.00 C ATOM 525 NZ LYS A 36 -11.283 -7.774 26.022 1.00 0.00 N ATOM 0 H LYS A 36 -10.373 -5.996 19.847 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.276 -7.195 21.627 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.495 -5.290 21.943 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.813 -4.254 21.429 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.377 -4.308 23.657 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -13.163 -5.811 23.216 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.373 -6.382 23.699 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.961 -5.415 25.037 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.015 -7.054 25.044 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.007 -8.097 24.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.775 -8.608 26.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.303 -8.028 25.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.280 -7.018 26.736 1.00 0.00 H new ATOM 535 N TYR A 37 -13.361 -5.520 19.082 1.00 0.00 N ATOM 536 CA TYR A 37 -14.552 -5.166 18.331 1.00 0.00 C ATOM 537 C TYR A 37 -15.502 -6.360 18.214 1.00 0.00 C ATOM 538 O TYR A 37 -16.715 -6.185 18.104 1.00 0.00 O ATOM 539 CB TYR A 37 -14.070 -4.774 16.933 1.00 0.00 C ATOM 540 CG TYR A 37 -14.938 -5.323 15.798 1.00 0.00 C ATOM 541 CD1 TYR A 37 -14.903 -6.668 15.492 1.00 0.00 C ATOM 542 CD2 TYR A 37 -15.754 -4.473 15.081 1.00 0.00 C ATOM 543 CE1 TYR A 37 -15.719 -7.185 14.425 1.00 0.00 C ATOM 544 CE2 TYR A 37 -16.571 -4.988 14.014 1.00 0.00 C ATOM 545 CZ TYR A 37 -16.513 -6.319 13.738 1.00 0.00 C ATOM 546 OH TYR A 37 -17.284 -6.807 12.729 1.00 0.00 O ATOM 0 H TYR A 37 -12.483 -5.354 18.591 1.00 0.00 H new ATOM 0 HA TYR A 37 -15.092 -4.360 18.828 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.042 -3.687 16.861 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.048 -5.129 16.799 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.263 -7.333 16.053 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.780 -3.420 15.320 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -15.702 -8.236 14.175 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -17.215 -4.333 13.446 1.00 0.00 H new ATOM 0 HH TYR A 37 -18.098 -6.267 12.649 1.00 0.00 H new ATOM 555 N SER A 38 -14.915 -7.547 18.241 1.00 0.00 N ATOM 556 CA SER A 38 -15.692 -8.770 18.139 1.00 0.00 C ATOM 557 C SER A 38 -16.537 -8.959 19.400 1.00 0.00 C ATOM 558 O SER A 38 -17.715 -9.303 19.317 1.00 0.00 O ATOM 559 CB SER A 38 -14.787 -9.982 17.919 1.00 0.00 C ATOM 560 OG SER A 38 -15.524 -11.202 17.890 1.00 0.00 O ATOM 0 H SER A 38 -13.909 -7.688 18.332 1.00 0.00 H new ATOM 0 HA SER A 38 -16.352 -8.684 17.276 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.245 -9.864 16.981 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.042 -10.027 18.714 1.00 0.00 H new ATOM 0 HG SER A 38 -14.910 -11.952 17.746 1.00 0.00 H new ATOM 565 N ASN A 39 -15.901 -8.726 20.540 1.00 0.00 N ATOM 566 CA ASN A 39 -16.579 -8.867 21.817 1.00 0.00 C ATOM 567 C ASN A 39 -17.382 -7.598 22.106 1.00 0.00 C ATOM 568 O ASN A 39 -18.394 -7.644 22.804 1.00 0.00 O ATOM 569 CB ASN A 39 -15.575 -9.061 22.955 1.00 0.00 C ATOM 570 CG ASN A 39 -16.047 -10.149 23.923 1.00 0.00 C ATOM 571 OD1 ASN A 39 -17.043 -10.819 23.707 1.00 0.00 O ATOM 572 ND2 ASN A 39 -15.277 -10.285 24.999 1.00 0.00 N ATOM 0 H ASN A 39 -14.924 -8.441 20.605 1.00 0.00 H new ATOM 0 HA ASN A 39 -17.231 -9.739 21.758 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.602 -9.332 22.544 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.444 -8.122 23.493 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -15.507 -10.984 25.706 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -14.457 -9.691 25.118 1.00 0.00 H new ATOM 578 N SER A 40 -16.900 -6.493 21.556 1.00 0.00 N ATOM 579 CA SER A 40 -17.560 -5.212 21.746 1.00 0.00 C ATOM 580 C SER A 40 -18.759 -5.097 20.802 1.00 0.00 C ATOM 581 O SER A 40 -19.719 -4.386 21.096 1.00 0.00 O ATOM 582 CB SER A 40 -16.590 -4.052 21.516 1.00 0.00 C ATOM 583 OG SER A 40 -15.796 -3.784 22.669 1.00 0.00 O ATOM 0 H SER A 40 -16.060 -6.458 20.979 1.00 0.00 H new ATOM 0 HA SER A 40 -17.910 -5.157 22.777 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.939 -4.285 20.674 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.152 -3.158 21.247 1.00 0.00 H new ATOM 0 HG SER A 40 -15.188 -3.038 22.482 1.00 0.00 H new ATOM 588 N ALA A 41 -18.664 -5.806 19.687 1.00 0.00 N ATOM 589 CA ALA A 41 -19.729 -5.791 18.698 1.00 0.00 C ATOM 590 C ALA A 41 -21.062 -6.092 19.386 1.00 0.00 C ATOM 591 O ALA A 41 -22.124 -5.762 18.860 1.00 0.00 O ATOM 592 CB ALA A 41 -19.408 -6.793 17.587 1.00 0.00 C ATOM 0 H ALA A 41 -17.866 -6.394 19.446 1.00 0.00 H new ATOM 0 HA ALA A 41 -19.810 -4.807 18.237 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -20.207 -6.782 16.845 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -18.467 -6.519 17.111 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -19.322 -7.793 18.012 1.00 0.00 H new ATOM 598 N LEU A 42 -20.963 -6.713 20.552 1.00 0.00 N ATOM 599 CA LEU A 42 -22.148 -7.062 21.317 1.00 0.00 C ATOM 600 C LEU A 42 -23.176 -5.934 21.200 1.00 0.00 C ATOM 601 O LEU A 42 -24.037 -5.963 20.323 1.00 0.00 O ATOM 602 CB LEU A 42 -21.772 -7.404 22.761 1.00 0.00 C ATOM 603 CG LEU A 42 -21.755 -8.892 23.114 1.00 0.00 C ATOM 604 CD1 LEU A 42 -20.827 -9.164 24.299 1.00 0.00 C ATOM 605 CD2 LEU A 42 -23.172 -9.413 23.365 1.00 0.00 C ATOM 0 H LEU A 42 -20.080 -6.984 20.986 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.612 -7.961 20.911 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -20.784 -6.991 22.966 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -22.473 -6.901 23.427 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.357 -9.440 22.260 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -20.834 -10.229 24.529 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -19.813 -8.854 24.046 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.172 -8.603 25.168 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -23.131 -10.473 23.614 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -23.621 -8.863 24.192 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -23.775 -9.274 22.468 1.00 0.00 H new ATOM 616 N GLY A 43 -23.051 -4.968 22.097 1.00 0.00 N ATOM 617 CA GLY A 43 -23.958 -3.832 22.106 1.00 0.00 C ATOM 618 C GLY A 43 -23.736 -2.945 20.879 1.00 0.00 C ATOM 619 O GLY A 43 -24.623 -2.812 20.036 1.00 0.00 O ATOM 0 H GLY A 43 -22.335 -4.948 22.823 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -24.989 -4.185 22.122 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -23.807 -3.248 23.014 1.00 0.00 H new ATOM 623 N HIS A 44 -22.550 -2.360 20.817 1.00 0.00 N ATOM 624 CA HIS A 44 -22.201 -1.490 19.707 1.00 0.00 C ATOM 625 C HIS A 44 -21.018 -0.604 20.102 1.00 0.00 C ATOM 626 O HIS A 44 -21.019 0.596 19.833 1.00 0.00 O ATOM 627 CB HIS A 44 -23.417 -0.684 19.246 1.00 0.00 C ATOM 628 CG HIS A 44 -24.077 -1.225 18.001 1.00 0.00 C ATOM 629 ND1 HIS A 44 -25.047 -0.528 17.303 1.00 0.00 N ATOM 630 CD2 HIS A 44 -23.897 -2.403 17.337 1.00 0.00 C ATOM 631 CE1 HIS A 44 -25.427 -1.262 16.267 1.00 0.00 C ATOM 632 NE2 HIS A 44 -24.713 -2.424 16.291 1.00 0.00 N ATOM 0 H HIS A 44 -21.817 -2.471 21.518 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.891 -2.091 18.852 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -24.150 -0.659 20.052 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -23.109 0.346 19.063 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -23.207 -3.186 17.616 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -26.171 -0.988 15.533 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -24.793 -3.184 15.616 1.00 0.00 H new ATOM 640 N VAL A 45 -20.035 -1.230 20.733 1.00 0.00 N ATOM 641 CA VAL A 45 -18.848 -0.514 21.167 1.00 0.00 C ATOM 642 C VAL A 45 -17.717 -0.756 20.165 1.00 0.00 C ATOM 643 O VAL A 45 -16.804 0.061 20.047 1.00 0.00 O ATOM 644 CB VAL A 45 -18.480 -0.928 22.594 1.00 0.00 C ATOM 645 CG1 VAL A 45 -17.683 0.174 23.296 1.00 0.00 C ATOM 646 CG2 VAL A 45 -19.729 -1.297 23.397 1.00 0.00 C ATOM 0 H VAL A 45 -20.037 -2.226 20.954 1.00 0.00 H new ATOM 0 HA VAL A 45 -19.037 0.559 21.192 1.00 0.00 H new ATOM 0 HB VAL A 45 -17.847 -1.813 22.533 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -17.434 -0.145 24.308 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.765 0.369 22.741 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -18.281 1.084 23.340 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -19.440 -1.587 24.407 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -20.398 -0.438 23.444 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -20.240 -2.129 22.913 1.00 0.00 H new ATOM 656 N ASN A 46 -17.816 -1.878 19.468 1.00 0.00 N ATOM 657 CA ASN A 46 -16.812 -2.236 18.480 1.00 0.00 C ATOM 658 C ASN A 46 -16.672 -1.098 17.468 1.00 0.00 C ATOM 659 O ASN A 46 -15.641 -0.973 16.807 1.00 0.00 O ATOM 660 CB ASN A 46 -17.216 -3.500 17.718 1.00 0.00 C ATOM 661 CG ASN A 46 -18.234 -3.177 16.622 1.00 0.00 C ATOM 662 OD1 ASN A 46 -17.941 -3.209 15.438 1.00 0.00 O ATOM 663 ND2 ASN A 46 -19.443 -2.865 17.080 1.00 0.00 N ATOM 0 H ASN A 46 -18.576 -2.551 19.568 1.00 0.00 H new ATOM 0 HA ASN A 46 -15.872 -2.415 19.002 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -16.333 -3.960 17.275 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -17.640 -4.227 18.411 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -20.192 -2.634 16.427 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -19.622 -2.857 18.084 1.00 0.00 H new ATOM 669 N CYS A 47 -17.723 -0.296 17.376 1.00 0.00 N ATOM 670 CA CYS A 47 -17.729 0.827 16.455 1.00 0.00 C ATOM 671 C CYS A 47 -17.155 2.046 17.179 1.00 0.00 C ATOM 672 O CYS A 47 -16.620 2.955 16.546 1.00 0.00 O ATOM 673 CB CYS A 47 -19.130 1.098 15.903 1.00 0.00 C ATOM 674 SG CYS A 47 -20.128 2.000 17.146 1.00 0.00 S ATOM 0 H CYS A 47 -18.576 -0.402 17.925 1.00 0.00 H new ATOM 0 HA CYS A 47 -17.108 0.594 15.590 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -19.062 1.682 14.985 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -19.617 0.157 15.646 1.00 0.00 H new ATOM 0 HG CYS A 47 -20.388 1.213 18.148 1.00 0.00 H new ATOM 679 N THR A 48 -17.285 2.026 18.498 1.00 0.00 N ATOM 680 CA THR A 48 -16.786 3.119 19.316 1.00 0.00 C ATOM 681 C THR A 48 -15.299 2.921 19.619 1.00 0.00 C ATOM 682 O THR A 48 -14.536 3.885 19.658 1.00 0.00 O ATOM 683 CB THR A 48 -17.656 3.205 20.571 1.00 0.00 C ATOM 684 OG1 THR A 48 -18.975 3.391 20.067 1.00 0.00 O ATOM 685 CG2 THR A 48 -17.386 4.473 21.384 1.00 0.00 C ATOM 0 H THR A 48 -17.729 1.270 19.020 1.00 0.00 H new ATOM 0 HA THR A 48 -16.855 4.071 18.790 1.00 0.00 H new ATOM 0 HB THR A 48 -17.480 2.329 21.195 1.00 0.00 H new ATOM 0 HG1 THR A 48 -19.605 3.455 20.815 1.00 0.00 H new ATOM 0 HG21 THR A 48 -18.029 4.485 22.264 1.00 0.00 H new ATOM 0 HG22 THR A 48 -16.342 4.489 21.697 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.594 5.350 20.771 1.00 0.00 H new ATOM 693 N ILE A 49 -14.933 1.665 19.826 1.00 0.00 N ATOM 694 CA ILE A 49 -13.551 1.328 20.125 1.00 0.00 C ATOM 695 C ILE A 49 -12.728 1.379 18.836 1.00 0.00 C ATOM 696 O ILE A 49 -11.499 1.376 18.880 1.00 0.00 O ATOM 697 CB ILE A 49 -13.471 -0.015 20.852 1.00 0.00 C ATOM 698 CG1 ILE A 49 -14.180 -1.113 20.056 1.00 0.00 C ATOM 699 CG2 ILE A 49 -14.015 0.101 22.278 1.00 0.00 C ATOM 700 CD1 ILE A 49 -13.265 -2.323 19.857 1.00 0.00 C ATOM 0 H ILE A 49 -15.569 0.868 19.793 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.121 2.060 20.809 1.00 0.00 H new ATOM 0 HB ILE A 49 -12.422 -0.300 20.929 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -15.086 -1.420 20.579 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.489 -0.723 19.086 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -13.947 -0.868 22.773 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -13.429 0.834 22.832 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.057 0.419 22.245 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.793 -3.089 19.289 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.372 -2.018 19.312 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -12.978 -2.726 20.828 1.00 0.00 H new ATOM 711 N LYS A 50 -13.439 1.425 17.719 1.00 0.00 N ATOM 712 CA LYS A 50 -12.789 1.475 16.420 1.00 0.00 C ATOM 713 C LYS A 50 -12.346 2.911 16.133 1.00 0.00 C ATOM 714 O LYS A 50 -11.154 3.180 15.996 1.00 0.00 O ATOM 715 CB LYS A 50 -13.702 0.886 15.342 1.00 0.00 C ATOM 716 CG LYS A 50 -13.118 -0.412 14.780 1.00 0.00 C ATOM 717 CD LYS A 50 -13.286 -1.564 15.773 1.00 0.00 C ATOM 718 CE LYS A 50 -12.033 -2.440 15.814 1.00 0.00 C ATOM 719 NZ LYS A 50 -11.160 -2.044 16.942 1.00 0.00 N ATOM 0 H LYS A 50 -14.458 1.429 17.686 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.891 0.857 16.418 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -14.689 0.693 15.762 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.834 1.609 14.537 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.613 -0.661 13.841 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.061 -0.272 14.555 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.488 -1.165 16.767 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.148 -2.169 15.491 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.317 -3.487 15.917 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.487 -2.349 14.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.165 -2.092 16.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.388 -1.072 17.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.313 -2.689 17.743 1.00 0.00 H new ATOM 729 N GLU A 51 -13.330 3.794 16.048 1.00 0.00 N ATOM 730 CA GLU A 51 -13.056 5.196 15.778 1.00 0.00 C ATOM 731 C GLU A 51 -12.063 5.748 16.803 1.00 0.00 C ATOM 732 O GLU A 51 -11.463 6.800 16.586 1.00 0.00 O ATOM 733 CB GLU A 51 -14.348 6.015 15.769 1.00 0.00 C ATOM 734 CG GLU A 51 -14.703 6.496 17.178 1.00 0.00 C ATOM 735 CD GLU A 51 -16.115 7.084 17.217 1.00 0.00 C ATOM 736 OE1 GLU A 51 -17.063 6.276 17.323 1.00 0.00 O ATOM 737 OE2 GLU A 51 -16.214 8.327 17.140 1.00 0.00 O ATOM 0 H GLU A 51 -14.318 3.566 16.161 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.608 5.276 14.787 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.234 6.873 15.106 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.163 5.410 15.371 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.632 5.664 17.879 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.983 7.248 17.502 1.00 0.00 H new ATOM 742 N LEU A 52 -11.922 5.015 17.898 1.00 0.00 N ATOM 743 CA LEU A 52 -11.013 5.419 18.956 1.00 0.00 C ATOM 744 C LEU A 52 -9.628 4.823 18.689 1.00 0.00 C ATOM 745 O LEU A 52 -8.611 5.451 18.980 1.00 0.00 O ATOM 746 CB LEU A 52 -11.587 5.051 20.325 1.00 0.00 C ATOM 747 CG LEU A 52 -11.427 6.104 21.425 1.00 0.00 C ATOM 748 CD1 LEU A 52 -12.749 6.828 21.685 1.00 0.00 C ATOM 749 CD2 LEU A 52 -10.854 5.482 22.699 1.00 0.00 C ATOM 0 H LEU A 52 -12.422 4.144 18.075 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.897 6.503 18.965 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.649 4.837 20.206 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.112 4.129 20.660 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.712 6.852 21.082 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.609 7.571 22.470 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.078 7.323 20.772 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -13.503 6.106 21.999 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.750 6.251 23.464 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.526 4.702 23.057 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.877 5.049 22.485 1.00 0.00 H new ATOM 760 N ARG A 53 -9.635 3.618 18.138 1.00 0.00 N ATOM 761 CA ARG A 53 -8.393 2.930 17.829 1.00 0.00 C ATOM 762 C ARG A 53 -7.942 3.265 16.406 1.00 0.00 C ATOM 763 O ARG A 53 -6.968 3.992 16.214 1.00 0.00 O ATOM 764 CB ARG A 53 -8.554 1.415 17.963 1.00 0.00 C ATOM 765 CG ARG A 53 -7.262 0.690 17.581 1.00 0.00 C ATOM 766 CD ARG A 53 -7.263 0.315 16.096 1.00 0.00 C ATOM 767 NE ARG A 53 -6.921 -1.116 15.936 1.00 0.00 N ATOM 768 CZ ARG A 53 -6.281 -1.621 14.873 1.00 0.00 C ATOM 769 NH1 ARG A 53 -5.907 -0.813 13.871 1.00 0.00 N ATOM 770 NH2 ARG A 53 -6.012 -2.932 14.813 1.00 0.00 N ATOM 0 H ARG A 53 -10.481 3.101 17.898 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.640 3.267 18.542 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.827 1.164 18.988 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.369 1.074 17.324 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.405 1.327 17.798 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.152 -0.209 18.187 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.243 0.514 15.663 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.545 0.932 15.556 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.189 -1.758 16.682 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.110 0.186 13.918 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.420 -1.197 13.061 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.295 -3.546 15.577 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.525 -3.316 14.003 1.00 0.00 H new ATOM 781 N ARG A 54 -8.670 2.717 15.444 1.00 0.00 N ATOM 782 CA ARG A 54 -8.357 2.949 14.045 1.00 0.00 C ATOM 783 C ARG A 54 -8.694 4.390 13.655 1.00 0.00 C ATOM 784 O ARG A 54 -7.882 5.076 13.038 1.00 0.00 O ATOM 785 CB ARG A 54 -9.134 1.989 13.141 1.00 0.00 C ATOM 786 CG ARG A 54 -8.440 1.829 11.786 1.00 0.00 C ATOM 787 CD ARG A 54 -7.567 0.573 11.763 1.00 0.00 C ATOM 788 NE ARG A 54 -6.151 0.944 11.541 1.00 0.00 N ATOM 789 CZ ARG A 54 -5.603 1.125 10.332 1.00 0.00 C ATOM 790 NH1 ARG A 54 -6.347 0.969 9.228 1.00 0.00 N ATOM 791 NH2 ARG A 54 -4.310 1.462 10.226 1.00 0.00 N ATOM 0 H ARG A 54 -9.476 2.113 15.606 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.289 2.774 13.912 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.221 1.017 13.626 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.147 2.363 12.993 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.188 1.771 10.995 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.827 2.707 11.582 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.667 0.034 12.705 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.903 -0.099 10.974 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.556 1.070 12.360 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.331 0.712 9.308 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.929 1.107 8.308 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.743 1.581 11.066 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.893 1.600 9.306 1.00 0.00 H new ATOM 802 N LEU A 55 -9.894 4.805 14.033 1.00 0.00 N ATOM 803 CA LEU A 55 -10.348 6.152 13.732 1.00 0.00 C ATOM 804 C LEU A 55 -11.004 6.168 12.350 1.00 0.00 C ATOM 805 O LEU A 55 -11.338 7.231 11.829 1.00 0.00 O ATOM 806 CB LEU A 55 -9.198 7.151 13.878 1.00 0.00 C ATOM 807 CG LEU A 55 -9.561 8.507 14.488 1.00 0.00 C ATOM 808 CD1 LEU A 55 -8.743 8.775 15.753 1.00 0.00 C ATOM 809 CD2 LEU A 55 -9.410 9.629 13.459 1.00 0.00 C ATOM 0 H LEU A 55 -10.565 4.233 14.545 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.106 6.467 14.449 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.422 6.694 14.493 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.765 7.322 12.893 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.610 8.480 14.783 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.020 9.745 16.167 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.944 7.996 16.488 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.681 8.776 15.506 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.674 10.582 13.918 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.378 9.667 13.111 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.071 9.438 12.613 1.00 0.00 H new ATOM 820 N PHE A 56 -11.168 4.976 11.794 1.00 0.00 N ATOM 821 CA PHE A 56 -11.777 4.839 10.483 1.00 0.00 C ATOM 822 C PHE A 56 -12.509 3.501 10.355 1.00 0.00 C ATOM 823 O PHE A 56 -13.626 3.448 9.843 1.00 0.00 O ATOM 824 CB PHE A 56 -10.644 4.886 9.456 1.00 0.00 C ATOM 825 CG PHE A 56 -10.750 6.047 8.465 1.00 0.00 C ATOM 826 CD1 PHE A 56 -10.394 7.304 8.850 1.00 0.00 C ATOM 827 CD2 PHE A 56 -11.200 5.825 7.202 1.00 0.00 C ATOM 828 CE1 PHE A 56 -10.492 8.381 7.930 1.00 0.00 C ATOM 829 CE2 PHE A 56 -11.298 6.903 6.283 1.00 0.00 C ATOM 830 CZ PHE A 56 -10.942 8.158 6.667 1.00 0.00 C ATOM 0 H PHE A 56 -10.889 4.096 12.229 1.00 0.00 H new ATOM 0 HA PHE A 56 -12.503 5.637 10.325 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -9.693 4.957 9.983 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.631 3.948 8.901 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -10.038 7.481 9.854 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -11.483 4.828 6.897 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -10.209 9.378 8.234 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -11.655 6.726 5.279 1.00 0.00 H new ATOM 0 HZ PHE A 56 -11.017 8.978 5.968 1.00 0.00 H new ATOM 839 N LEU A 57 -11.850 2.455 10.831 1.00 0.00 N ATOM 840 CA LEU A 57 -12.424 1.121 10.777 1.00 0.00 C ATOM 841 C LEU A 57 -13.920 1.201 11.090 1.00 0.00 C ATOM 842 O LEU A 57 -14.735 0.584 10.406 1.00 0.00 O ATOM 843 CB LEU A 57 -11.655 0.169 11.694 1.00 0.00 C ATOM 844 CG LEU A 57 -11.418 -1.242 11.149 1.00 0.00 C ATOM 845 CD1 LEU A 57 -10.031 -1.359 10.514 1.00 0.00 C ATOM 846 CD2 LEU A 57 -11.640 -2.294 12.237 1.00 0.00 C ATOM 0 H LEU A 57 -10.924 2.504 11.256 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.329 0.706 9.773 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.687 0.617 11.921 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.197 0.087 12.636 1.00 0.00 H new ATOM 0 HG LEU A 57 -12.149 -1.432 10.363 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.889 -2.371 10.135 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.946 -0.648 9.692 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.269 -1.141 11.262 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.465 -3.287 11.824 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.949 -2.117 13.061 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.665 -2.228 12.603 1.00 0.00 H new ATOM 857 N VAL A 58 -14.235 1.968 12.123 1.00 0.00 N ATOM 858 CA VAL A 58 -15.619 2.137 12.535 1.00 0.00 C ATOM 859 C VAL A 58 -16.357 0.805 12.388 1.00 0.00 C ATOM 860 O VAL A 58 -16.985 0.548 11.362 1.00 0.00 O ATOM 861 CB VAL A 58 -16.268 3.271 11.737 1.00 0.00 C ATOM 862 CG1 VAL A 58 -17.776 3.325 11.990 1.00 0.00 C ATOM 863 CG2 VAL A 58 -15.608 4.613 12.057 1.00 0.00 C ATOM 0 H VAL A 58 -13.556 2.479 12.687 1.00 0.00 H new ATOM 0 HA VAL A 58 -15.672 2.424 13.585 1.00 0.00 H new ATOM 0 HB VAL A 58 -16.114 3.067 10.677 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -18.213 4.139 11.412 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -18.230 2.381 11.688 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -17.961 3.494 13.051 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -16.087 5.402 11.477 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -15.716 4.827 13.120 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.549 4.568 11.802 1.00 0.00 H new ATOM 873 N ASP A 59 -16.256 -0.008 13.430 1.00 0.00 N ATOM 874 CA ASP A 59 -16.906 -1.307 13.431 1.00 0.00 C ATOM 875 C ASP A 59 -16.344 -2.155 12.286 1.00 0.00 C ATOM 876 O ASP A 59 -16.831 -2.084 11.159 1.00 0.00 O ATOM 877 CB ASP A 59 -18.415 -1.169 13.219 1.00 0.00 C ATOM 878 CG ASP A 59 -19.096 -2.390 12.597 1.00 0.00 C ATOM 879 OD1 ASP A 59 -19.416 -3.317 13.372 1.00 0.00 O ATOM 880 OD2 ASP A 59 -19.279 -2.370 11.361 1.00 0.00 O ATOM 0 H ASP A 59 -15.734 0.208 14.279 1.00 0.00 H new ATOM 0 HA ASP A 59 -16.719 -1.776 14.397 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -18.884 -0.961 14.181 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.599 -0.305 12.581 1.00 0.00 H new ATOM 884 N ASP A 60 -15.326 -2.936 12.616 1.00 0.00 N ATOM 885 CA ASP A 60 -14.693 -3.796 11.631 1.00 0.00 C ATOM 886 C ASP A 60 -14.050 -2.932 10.545 1.00 0.00 C ATOM 887 O ASP A 60 -13.122 -3.369 9.867 1.00 0.00 O ATOM 888 CB ASP A 60 -15.717 -4.713 10.960 1.00 0.00 C ATOM 889 CG ASP A 60 -16.354 -4.150 9.688 1.00 0.00 C ATOM 890 OD1 ASP A 60 -15.606 -3.999 8.698 1.00 0.00 O ATOM 891 OD2 ASP A 60 -17.575 -3.883 9.734 1.00 0.00 O ATOM 0 H ASP A 60 -14.924 -2.991 13.552 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.947 -4.403 12.144 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -15.232 -5.658 10.717 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -16.508 -4.935 11.677 1.00 0.00 H new TER 895 ASP A 60