USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 623 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 Single : A 1 ASP N :NH3+ -106:sc= 0.06 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0752 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 16 ASN : amide:sc=-0.00812 K(o=-0.0081,f=-0.72) USER MOD Single : A 19 SER OG : rot 180:sc= -0.325 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.619 USER MOD Single : A 24 LYS NZ :NH3+ -144:sc= -0.057 (180deg=-1.5!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 140:sc= -0.176 USER MOD Single : A 35 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.19) USER MOD Single : A 38 GLN : amide:sc= -0.0342 X(o=-0.034,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -5:sc= 0.0615 USER MOD Single : A 54 SER OG : rot -85:sc= 0.114 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -148:sc= -0.113 (180deg=-0.641) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -118:sc= 0.00618 USER MOD Single : A 78 ASN : amide:sc= -0.0685 X(o=-0.068,f=-0.068) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 49.139 3.347 -5.727 1.00 0.00 N ATOM 2 CA ASP A 1 50.368 2.756 -6.317 1.00 0.00 C ATOM 3 C ASP A 1 50.168 1.280 -6.644 1.00 0.00 C ATOM 4 O ASP A 1 49.069 0.745 -6.492 1.00 0.00 O ATOM 5 CB ASP A 1 51.516 2.925 -5.319 1.00 0.00 C ATOM 6 CG ASP A 1 52.280 4.217 -5.530 1.00 0.00 C ATOM 7 OD1 ASP A 1 51.646 5.293 -5.500 1.00 0.00 O ATOM 8 OD2 ASP A 1 53.512 4.154 -5.724 1.00 0.00 O ATOM 0 H1 ASP A 1 48.674 3.956 -6.431 1.00 0.00 H new ATOM 0 H2 ASP A 1 48.489 2.586 -5.444 1.00 0.00 H new ATOM 0 H3 ASP A 1 49.392 3.914 -4.892 1.00 0.00 H new ATOM 0 HA ASP A 1 50.601 3.270 -7.250 1.00 0.00 H new ATOM 0 HB2 ASP A 1 51.118 2.903 -4.305 1.00 0.00 H new ATOM 0 HB3 ASP A 1 52.201 2.082 -5.411 1.00 0.00 H new ATOM 15 N TYR A 2 51.237 0.629 -7.095 1.00 0.00 N ATOM 16 CA TYR A 2 51.185 -0.788 -7.446 1.00 0.00 C ATOM 17 C TYR A 2 50.123 -1.049 -8.511 1.00 0.00 C ATOM 18 O TYR A 2 49.614 -0.118 -9.136 1.00 0.00 O ATOM 19 CB TYR A 2 50.899 -1.634 -6.203 1.00 0.00 C ATOM 20 CG TYR A 2 52.126 -1.915 -5.364 1.00 0.00 C ATOM 21 CD1 TYR A 2 52.532 -1.029 -4.375 1.00 0.00 C ATOM 22 CD2 TYR A 2 52.876 -3.068 -5.561 1.00 0.00 C ATOM 23 CE1 TYR A 2 53.652 -1.283 -3.606 1.00 0.00 C ATOM 24 CE2 TYR A 2 53.997 -3.329 -4.796 1.00 0.00 C ATOM 25 CZ TYR A 2 54.380 -2.434 -3.820 1.00 0.00 C ATOM 26 OH TYR A 2 55.496 -2.690 -3.056 1.00 0.00 O ATOM 0 H TYR A 2 52.152 1.061 -7.226 1.00 0.00 H new ATOM 0 HA TYR A 2 52.156 -1.070 -7.853 1.00 0.00 H new ATOM 0 HB2 TYR A 2 50.159 -1.122 -5.588 1.00 0.00 H new ATOM 0 HB3 TYR A 2 50.457 -2.581 -6.513 1.00 0.00 H new ATOM 0 HD1 TYR A 2 51.963 -0.127 -4.204 1.00 0.00 H new ATOM 0 HD2 TYR A 2 52.578 -3.772 -6.324 1.00 0.00 H new ATOM 0 HE1 TYR A 2 53.955 -0.583 -2.841 1.00 0.00 H new ATOM 0 HE2 TYR A 2 54.570 -4.229 -4.962 1.00 0.00 H new ATOM 0 HH TYR A 2 55.894 -3.542 -3.333 1.00 0.00 H new ATOM 36 N LYS A 3 49.794 -2.321 -8.712 1.00 0.00 N ATOM 37 CA LYS A 3 48.793 -2.706 -9.701 1.00 0.00 C ATOM 38 C LYS A 3 47.407 -2.786 -9.070 1.00 0.00 C ATOM 39 O LYS A 3 46.410 -2.997 -9.761 1.00 0.00 O ATOM 40 CB LYS A 3 49.157 -4.052 -10.329 1.00 0.00 C ATOM 41 CG LYS A 3 50.221 -3.952 -11.410 1.00 0.00 C ATOM 42 CD LYS A 3 50.196 -5.162 -12.330 1.00 0.00 C ATOM 43 CE LYS A 3 50.306 -4.754 -13.790 1.00 0.00 C ATOM 44 NZ LYS A 3 51.713 -4.467 -14.182 1.00 0.00 N ATOM 0 H LYS A 3 50.206 -3.103 -8.203 1.00 0.00 H new ATOM 0 HA LYS A 3 48.776 -1.942 -10.479 1.00 0.00 H new ATOM 0 HB2 LYS A 3 49.508 -4.725 -9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 3 48.259 -4.499 -10.755 1.00 0.00 H new ATOM 0 HG2 LYS A 3 50.063 -3.046 -11.995 1.00 0.00 H new ATOM 0 HG3 LYS A 3 51.204 -3.866 -10.947 1.00 0.00 H new ATOM 0 HD2 LYS A 3 51.018 -5.831 -12.075 1.00 0.00 H new ATOM 0 HD3 LYS A 3 49.272 -5.719 -12.175 1.00 0.00 H new ATOM 0 HE2 LYS A 3 49.909 -5.550 -14.420 1.00 0.00 H new ATOM 0 HE3 LYS A 3 49.692 -3.871 -13.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 51.745 -4.192 -15.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 52.084 -3.690 -13.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 52.294 -5.317 -14.037 1.00 0.00 H new ATOM 58 N ASP A 4 47.351 -2.615 -7.753 1.00 0.00 N ATOM 59 CA ASP A 4 46.087 -2.668 -7.027 1.00 0.00 C ATOM 60 C ASP A 4 45.177 -1.513 -7.433 1.00 0.00 C ATOM 61 O ASP A 4 43.954 -1.649 -7.449 1.00 0.00 O ATOM 62 CB ASP A 4 46.339 -2.627 -5.518 1.00 0.00 C ATOM 63 CG ASP A 4 45.539 -3.674 -4.769 1.00 0.00 C ATOM 64 OD1 ASP A 4 44.354 -3.416 -4.472 1.00 0.00 O ATOM 65 OD2 ASP A 4 46.098 -4.753 -4.480 1.00 0.00 O ATOM 0 H ASP A 4 48.167 -2.438 -7.167 1.00 0.00 H new ATOM 0 HA ASP A 4 45.591 -3.605 -7.281 1.00 0.00 H new ATOM 0 HB2 ASP A 4 47.401 -2.779 -5.326 1.00 0.00 H new ATOM 0 HB3 ASP A 4 46.085 -1.638 -5.137 1.00 0.00 H new ATOM 70 N ASP A 5 45.784 -0.376 -7.759 1.00 0.00 N ATOM 71 CA ASP A 5 45.029 0.805 -8.165 1.00 0.00 C ATOM 72 C ASP A 5 44.553 0.677 -9.609 1.00 0.00 C ATOM 73 O ASP A 5 43.586 1.323 -10.013 1.00 0.00 O ATOM 74 CB ASP A 5 45.887 2.062 -8.008 1.00 0.00 C ATOM 75 CG ASP A 5 45.273 3.064 -7.050 1.00 0.00 C ATOM 76 OD1 ASP A 5 45.470 2.913 -5.826 1.00 0.00 O ATOM 77 OD2 ASP A 5 44.595 4.000 -7.525 1.00 0.00 O ATOM 0 H ASP A 5 46.796 -0.247 -7.750 1.00 0.00 H new ATOM 0 HA ASP A 5 44.155 0.887 -7.519 1.00 0.00 H new ATOM 0 HB2 ASP A 5 46.877 1.780 -7.650 1.00 0.00 H new ATOM 0 HB3 ASP A 5 46.022 2.531 -8.983 1.00 0.00 H new ATOM 82 N ASP A 6 45.240 -0.159 -10.381 1.00 0.00 N ATOM 83 CA ASP A 6 44.888 -0.372 -11.781 1.00 0.00 C ATOM 84 C ASP A 6 43.506 -1.007 -11.905 1.00 0.00 C ATOM 85 O ASP A 6 42.795 -0.783 -12.885 1.00 0.00 O ATOM 86 CB ASP A 6 45.932 -1.258 -12.462 1.00 0.00 C ATOM 87 CG ASP A 6 46.913 -0.458 -13.297 1.00 0.00 C ATOM 88 OD1 ASP A 6 47.445 0.549 -12.785 1.00 0.00 O ATOM 89 OD2 ASP A 6 47.149 -0.839 -14.463 1.00 0.00 O ATOM 0 H ASP A 6 46.043 -0.700 -10.061 1.00 0.00 H new ATOM 0 HA ASP A 6 44.867 0.599 -12.276 1.00 0.00 H new ATOM 0 HB2 ASP A 6 46.478 -1.820 -11.704 1.00 0.00 H new ATOM 0 HB3 ASP A 6 45.428 -1.986 -13.097 1.00 0.00 H new ATOM 94 N ASP A 7 43.133 -1.800 -10.905 1.00 0.00 N ATOM 95 CA ASP A 7 41.836 -2.468 -10.902 1.00 0.00 C ATOM 96 C ASP A 7 40.885 -1.804 -9.912 1.00 0.00 C ATOM 97 O ASP A 7 41.296 -1.368 -8.837 1.00 0.00 O ATOM 98 CB ASP A 7 42.002 -3.948 -10.553 1.00 0.00 C ATOM 99 CG ASP A 7 42.621 -4.154 -9.184 1.00 0.00 C ATOM 100 OD1 ASP A 7 43.866 -4.216 -9.099 1.00 0.00 O ATOM 101 OD2 ASP A 7 41.861 -4.255 -8.198 1.00 0.00 O ATOM 0 H ASP A 7 43.710 -1.996 -10.087 1.00 0.00 H new ATOM 0 HA ASP A 7 41.409 -2.383 -11.901 1.00 0.00 H new ATOM 0 HB2 ASP A 7 41.029 -4.437 -10.586 1.00 0.00 H new ATOM 0 HB3 ASP A 7 42.626 -4.428 -11.307 1.00 0.00 H new ATOM 106 N LYS A 8 39.610 -1.730 -10.284 1.00 0.00 N ATOM 107 CA LYS A 8 38.599 -1.119 -9.429 1.00 0.00 C ATOM 108 C LYS A 8 37.717 -2.183 -8.785 1.00 0.00 C ATOM 109 O LYS A 8 37.636 -3.312 -9.268 1.00 0.00 O ATOM 110 CB LYS A 8 37.737 -0.146 -10.237 1.00 0.00 C ATOM 111 CG LYS A 8 38.541 0.766 -11.149 1.00 0.00 C ATOM 112 CD LYS A 8 38.090 2.213 -11.028 1.00 0.00 C ATOM 113 CE LYS A 8 37.956 2.871 -12.392 1.00 0.00 C ATOM 114 NZ LYS A 8 36.531 3.078 -12.771 1.00 0.00 N ATOM 0 H LYS A 8 39.254 -2.085 -11.171 1.00 0.00 H new ATOM 0 HA LYS A 8 39.111 -0.570 -8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 8 37.029 -0.715 -10.839 1.00 0.00 H new ATOM 0 HB3 LYS A 8 37.152 0.465 -9.550 1.00 0.00 H new ATOM 0 HG2 LYS A 8 39.599 0.691 -10.899 1.00 0.00 H new ATOM 0 HG3 LYS A 8 38.434 0.436 -12.182 1.00 0.00 H new ATOM 0 HD2 LYS A 8 37.133 2.255 -10.507 1.00 0.00 H new ATOM 0 HD3 LYS A 8 38.806 2.769 -10.423 1.00 0.00 H new ATOM 0 HE2 LYS A 8 38.473 3.831 -12.384 1.00 0.00 H new ATOM 0 HE3 LYS A 8 38.445 2.251 -13.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 36.483 3.529 -13.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 36.043 2.160 -12.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 36.070 3.690 -12.068 1.00 0.00 H new ATOM 128 N VAL A 9 37.057 -1.815 -7.690 1.00 0.00 N ATOM 129 CA VAL A 9 36.181 -2.739 -6.979 1.00 0.00 C ATOM 130 C VAL A 9 34.845 -2.083 -6.645 1.00 0.00 C ATOM 131 O VAL A 9 34.757 -0.862 -6.515 1.00 0.00 O ATOM 132 CB VAL A 9 36.833 -3.242 -5.677 1.00 0.00 C ATOM 133 CG1 VAL A 9 37.980 -4.192 -5.986 1.00 0.00 C ATOM 134 CG2 VAL A 9 37.312 -2.072 -4.831 1.00 0.00 C ATOM 0 H VAL A 9 37.113 -0.884 -7.277 1.00 0.00 H new ATOM 0 HA VAL A 9 36.011 -3.587 -7.642 1.00 0.00 H new ATOM 0 HB VAL A 9 36.083 -3.789 -5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 9 38.428 -4.537 -5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 9 37.603 -5.048 -6.546 1.00 0.00 H new ATOM 0 HG13 VAL A 9 38.732 -3.673 -6.580 1.00 0.00 H new ATOM 0 HG21 VAL A 9 37.769 -2.448 -3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 9 38.046 -1.493 -5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 9 36.464 -1.435 -4.578 1.00 0.00 H new ATOM 144 N LYS A 10 33.808 -2.903 -6.506 1.00 0.00 N ATOM 145 CA LYS A 10 32.476 -2.404 -6.186 1.00 0.00 C ATOM 146 C LYS A 10 32.268 -2.342 -4.676 1.00 0.00 C ATOM 147 O LYS A 10 32.477 -3.328 -3.970 1.00 0.00 O ATOM 148 CB LYS A 10 31.408 -3.295 -6.823 1.00 0.00 C ATOM 149 CG LYS A 10 31.240 -3.069 -8.317 1.00 0.00 C ATOM 150 CD LYS A 10 32.146 -3.984 -9.125 1.00 0.00 C ATOM 151 CE LYS A 10 31.525 -4.342 -10.465 1.00 0.00 C ATOM 152 NZ LYS A 10 30.821 -5.654 -10.419 1.00 0.00 N ATOM 0 H LYS A 10 33.865 -3.916 -6.610 1.00 0.00 H new ATOM 0 HA LYS A 10 32.386 -1.396 -6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 10 31.667 -4.339 -6.649 1.00 0.00 H new ATOM 0 HB3 LYS A 10 30.454 -3.116 -6.327 1.00 0.00 H new ATOM 0 HG2 LYS A 10 30.201 -3.244 -8.598 1.00 0.00 H new ATOM 0 HG3 LYS A 10 31.464 -2.030 -8.556 1.00 0.00 H new ATOM 0 HD2 LYS A 10 33.107 -3.495 -9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 10 32.343 -4.895 -8.559 1.00 0.00 H new ATOM 0 HE2 LYS A 10 30.822 -3.563 -10.759 1.00 0.00 H new ATOM 0 HE3 LYS A 10 32.302 -4.374 -11.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 30.412 -5.861 -11.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 31.497 -6.402 -10.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 30.062 -5.616 -9.709 1.00 0.00 H new ATOM 166 N LEU A 11 31.856 -1.176 -4.188 1.00 0.00 N ATOM 167 CA LEU A 11 31.620 -0.985 -2.761 1.00 0.00 C ATOM 168 C LEU A 11 30.153 -0.671 -2.488 1.00 0.00 C ATOM 169 O LEU A 11 29.697 -0.731 -1.346 1.00 0.00 O ATOM 170 CB LEU A 11 32.503 0.144 -2.224 1.00 0.00 C ATOM 171 CG LEU A 11 33.928 0.171 -2.780 1.00 0.00 C ATOM 172 CD1 LEU A 11 34.297 1.576 -3.232 1.00 0.00 C ATOM 173 CD2 LEU A 11 34.916 -0.333 -1.739 1.00 0.00 C ATOM 0 H LEU A 11 31.679 -0.350 -4.759 1.00 0.00 H new ATOM 0 HA LEU A 11 31.875 -1.913 -2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 11 32.024 1.097 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 11 32.554 0.060 -1.138 1.00 0.00 H new ATOM 0 HG LEU A 11 33.973 -0.491 -3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 11 35.314 1.577 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 11 33.607 1.901 -4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 11 34.235 2.259 -2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 11 35.924 -0.307 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 11 34.869 0.303 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 11 34.663 -1.357 -1.463 1.00 0.00 H new ATOM 185 N THR A 12 29.418 -0.335 -3.544 1.00 0.00 N ATOM 186 CA THR A 12 28.002 -0.011 -3.418 1.00 0.00 C ATOM 187 C THR A 12 27.140 -1.265 -3.519 1.00 0.00 C ATOM 188 O THR A 12 27.141 -1.950 -4.542 1.00 0.00 O ATOM 189 CB THR A 12 27.557 0.991 -4.499 1.00 0.00 C ATOM 190 OG1 THR A 12 28.416 0.896 -5.642 1.00 0.00 O ATOM 191 CG2 THR A 12 27.580 2.414 -3.960 1.00 0.00 C ATOM 0 H THR A 12 29.780 -0.280 -4.496 1.00 0.00 H new ATOM 0 HA THR A 12 27.868 0.442 -2.436 1.00 0.00 H new ATOM 0 HB THR A 12 26.536 0.745 -4.791 1.00 0.00 H new ATOM 0 HG1 THR A 12 28.124 1.536 -6.325 1.00 0.00 H new ATOM 0 HG21 THR A 12 27.262 3.104 -4.741 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.903 2.492 -3.109 1.00 0.00 H new ATOM 0 HG23 THR A 12 28.592 2.667 -3.643 1.00 0.00 H new ATOM 199 N CYS A 13 26.406 -1.559 -2.451 1.00 0.00 N ATOM 200 CA CYS A 13 25.537 -2.731 -2.417 1.00 0.00 C ATOM 201 C CYS A 13 24.478 -2.592 -1.328 1.00 0.00 C ATOM 202 O CYS A 13 24.306 -3.484 -0.497 1.00 0.00 O ATOM 203 CB CYS A 13 26.364 -3.997 -2.186 1.00 0.00 C ATOM 204 SG CYS A 13 25.502 -5.540 -2.627 1.00 0.00 S ATOM 0 H CYS A 13 26.395 -1.002 -1.597 1.00 0.00 H new ATOM 0 HA CYS A 13 25.032 -2.807 -3.380 1.00 0.00 H new ATOM 0 HB2 CYS A 13 27.284 -3.928 -2.767 1.00 0.00 H new ATOM 0 HB3 CYS A 13 26.653 -4.042 -1.136 1.00 0.00 H new ATOM 209 N TYR A 14 23.771 -1.466 -1.339 1.00 0.00 N ATOM 210 CA TYR A 14 22.728 -1.208 -0.353 1.00 0.00 C ATOM 211 C TYR A 14 21.347 -1.235 -1.001 1.00 0.00 C ATOM 212 O TYR A 14 21.219 -1.094 -2.217 1.00 0.00 O ATOM 213 CB TYR A 14 22.960 0.143 0.327 1.00 0.00 C ATOM 214 CG TYR A 14 22.964 1.314 -0.631 1.00 0.00 C ATOM 215 CD1 TYR A 14 24.105 1.644 -1.351 1.00 0.00 C ATOM 216 CD2 TYR A 14 21.826 2.090 -0.813 1.00 0.00 C ATOM 217 CE1 TYR A 14 24.112 2.714 -2.226 1.00 0.00 C ATOM 218 CE2 TYR A 14 21.825 3.161 -1.687 1.00 0.00 C ATOM 219 CZ TYR A 14 22.970 3.469 -2.390 1.00 0.00 C ATOM 220 OH TYR A 14 22.973 4.534 -3.261 1.00 0.00 O ATOM 0 H TYR A 14 23.902 -0.718 -2.020 1.00 0.00 H new ATOM 0 HA TYR A 14 22.772 -1.996 0.399 1.00 0.00 H new ATOM 0 HB2 TYR A 14 22.184 0.301 1.076 1.00 0.00 H new ATOM 0 HB3 TYR A 14 23.913 0.115 0.856 1.00 0.00 H new ATOM 0 HD1 TYR A 14 25.001 1.055 -1.225 1.00 0.00 H new ATOM 0 HD2 TYR A 14 20.928 1.853 -0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 14 25.008 2.957 -2.778 1.00 0.00 H new ATOM 0 HE2 TYR A 14 20.932 3.753 -1.818 1.00 0.00 H new ATOM 0 HH TYR A 14 22.090 4.960 -3.260 1.00 0.00 H new ATOM 230 N GLN A 15 20.317 -1.417 -0.180 1.00 0.00 N ATOM 231 CA GLN A 15 18.945 -1.462 -0.673 1.00 0.00 C ATOM 232 C GLN A 15 17.970 -0.953 0.384 1.00 0.00 C ATOM 233 O GLN A 15 17.728 -1.619 1.391 1.00 0.00 O ATOM 234 CB GLN A 15 18.574 -2.889 -1.081 1.00 0.00 C ATOM 235 CG GLN A 15 17.707 -2.958 -2.328 1.00 0.00 C ATOM 236 CD GLN A 15 16.244 -3.194 -2.009 1.00 0.00 C ATOM 237 OE1 GLN A 15 15.715 -2.659 -1.034 1.00 0.00 O ATOM 238 NE2 GLN A 15 15.582 -4.000 -2.831 1.00 0.00 N ATOM 0 H GLN A 15 20.407 -1.536 0.829 1.00 0.00 H new ATOM 0 HA GLN A 15 18.878 -0.813 -1.546 1.00 0.00 H new ATOM 0 HB2 GLN A 15 19.488 -3.459 -1.251 1.00 0.00 H new ATOM 0 HB3 GLN A 15 18.048 -3.369 -0.256 1.00 0.00 H new ATOM 0 HG2 GLN A 15 17.807 -2.028 -2.888 1.00 0.00 H new ATOM 0 HG3 GLN A 15 18.068 -3.759 -2.973 1.00 0.00 H new ATOM 0 HE21 GLN A 15 16.061 -4.422 -3.627 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.595 -4.197 -2.666 1.00 0.00 H new ATOM 247 N ASN A 16 17.413 0.230 0.147 1.00 0.00 N ATOM 248 CA ASN A 16 16.464 0.829 1.077 1.00 0.00 C ATOM 249 C ASN A 16 15.129 0.092 1.041 1.00 0.00 C ATOM 250 O ASN A 16 14.347 0.249 0.103 1.00 0.00 O ATOM 251 CB ASN A 16 16.253 2.307 0.743 1.00 0.00 C ATOM 252 CG ASN A 16 15.650 3.082 1.899 1.00 0.00 C ATOM 253 OD1 ASN A 16 14.520 2.823 2.312 1.00 0.00 O ATOM 254 ND2 ASN A 16 16.404 4.039 2.427 1.00 0.00 N ATOM 0 H ASN A 16 17.603 0.793 -0.682 1.00 0.00 H new ATOM 0 HA ASN A 16 16.878 0.747 2.082 1.00 0.00 H new ATOM 0 HB2 ASN A 16 17.208 2.754 0.469 1.00 0.00 H new ATOM 0 HB3 ASN A 16 15.601 2.390 -0.126 1.00 0.00 H new ATOM 0 HD21 ASN A 16 16.052 4.594 3.207 1.00 0.00 H new ATOM 0 HD22 ASN A 16 17.335 4.219 2.053 1.00 0.00 H new ATOM 261 N GLY A 17 14.876 -0.713 2.068 1.00 0.00 N ATOM 262 CA GLY A 17 13.635 -1.463 2.134 1.00 0.00 C ATOM 263 C GLY A 17 13.059 -1.512 3.535 1.00 0.00 C ATOM 264 O GLY A 17 12.123 -0.780 3.854 1.00 0.00 O ATOM 0 H GLY A 17 15.508 -0.859 2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.906 -1.012 1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 17 13.809 -2.479 1.781 1.00 0.00 H new ATOM 268 N VAL A 18 13.619 -2.379 4.373 1.00 0.00 N ATOM 269 CA VAL A 18 13.155 -2.523 5.748 1.00 0.00 C ATOM 270 C VAL A 18 14.266 -3.041 6.654 1.00 0.00 C ATOM 271 O VAL A 18 15.126 -3.809 6.221 1.00 0.00 O ATOM 272 CB VAL A 18 11.952 -3.484 5.844 1.00 0.00 C ATOM 273 CG1 VAL A 18 10.651 -2.706 5.943 1.00 0.00 C ATOM 274 CG2 VAL A 18 11.925 -4.436 4.657 1.00 0.00 C ATOM 0 H VAL A 18 14.395 -2.992 4.124 1.00 0.00 H new ATOM 0 HA VAL A 18 12.848 -1.530 6.077 1.00 0.00 H new ATOM 0 HB VAL A 18 12.062 -4.079 6.751 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.815 -3.402 6.010 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.671 -2.076 6.832 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.533 -2.081 5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.068 -5.104 4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.844 -3.863 3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.843 -5.023 4.641 1.00 0.00 H new ATOM 284 N SER A 19 14.237 -2.623 7.916 1.00 0.00 N ATOM 285 CA SER A 19 15.237 -3.053 8.885 1.00 0.00 C ATOM 286 C SER A 19 15.069 -4.536 9.198 1.00 0.00 C ATOM 287 O SER A 19 14.317 -5.237 8.522 1.00 0.00 O ATOM 288 CB SER A 19 15.123 -2.230 10.170 1.00 0.00 C ATOM 289 OG SER A 19 15.121 -0.841 9.889 1.00 0.00 O ATOM 0 H SER A 19 13.532 -1.988 8.290 1.00 0.00 H new ATOM 0 HA SER A 19 16.225 -2.895 8.454 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.208 -2.499 10.697 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.955 -2.469 10.833 1.00 0.00 H new ATOM 0 HG SER A 19 15.046 -0.338 10.727 1.00 0.00 H new ATOM 295 N PHE A 20 15.768 -5.012 10.223 1.00 0.00 N ATOM 296 CA PHE A 20 15.681 -6.416 10.609 1.00 0.00 C ATOM 297 C PHE A 20 15.698 -6.578 12.123 1.00 0.00 C ATOM 298 O PHE A 20 16.260 -5.753 12.842 1.00 0.00 O ATOM 299 CB PHE A 20 16.825 -7.216 9.983 1.00 0.00 C ATOM 300 CG PHE A 20 16.474 -7.840 8.659 1.00 0.00 C ATOM 301 CD1 PHE A 20 15.162 -8.170 8.354 1.00 0.00 C ATOM 302 CD2 PHE A 20 17.459 -8.096 7.721 1.00 0.00 C ATOM 303 CE1 PHE A 20 14.841 -8.743 7.140 1.00 0.00 C ATOM 304 CE2 PHE A 20 17.145 -8.668 6.504 1.00 0.00 C ATOM 305 CZ PHE A 20 15.834 -8.992 6.213 1.00 0.00 C ATOM 0 H PHE A 20 16.397 -4.451 10.798 1.00 0.00 H new ATOM 0 HA PHE A 20 14.732 -6.802 10.237 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.685 -6.559 9.849 1.00 0.00 H new ATOM 0 HB3 PHE A 20 17.129 -8.001 10.675 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.382 -7.976 9.075 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.486 -7.845 7.944 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.815 -8.996 6.915 1.00 0.00 H new ATOM 0 HE2 PHE A 20 17.923 -8.862 5.781 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.586 -9.439 5.262 1.00 0.00 H new ATOM 315 N THR A 21 15.076 -7.653 12.598 1.00 0.00 N ATOM 316 CA THR A 21 15.014 -7.934 14.027 1.00 0.00 C ATOM 317 C THR A 21 14.568 -9.369 14.285 1.00 0.00 C ATOM 318 O THR A 21 14.150 -10.075 13.367 1.00 0.00 O ATOM 319 CB THR A 21 14.054 -6.970 14.751 1.00 0.00 C ATOM 320 OG1 THR A 21 13.827 -7.413 16.094 1.00 0.00 O ATOM 321 CG2 THR A 21 12.727 -6.873 14.014 1.00 0.00 C ATOM 0 H THR A 21 14.607 -8.344 12.012 1.00 0.00 H new ATOM 0 HA THR A 21 16.021 -7.792 14.421 1.00 0.00 H new ATOM 0 HB THR A 21 14.516 -5.983 14.770 1.00 0.00 H new ATOM 0 HG1 THR A 21 13.217 -6.792 16.545 1.00 0.00 H new ATOM 0 HG21 THR A 21 12.066 -6.187 14.544 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.898 -6.504 13.003 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.264 -7.859 13.966 1.00 0.00 H new ATOM 329 N GLY A 22 14.659 -9.792 15.540 1.00 0.00 N ATOM 330 CA GLY A 22 14.262 -11.140 15.903 1.00 0.00 C ATOM 331 C GLY A 22 15.140 -12.197 15.260 1.00 0.00 C ATOM 332 O GLY A 22 14.833 -13.388 15.321 1.00 0.00 O ATOM 0 H GLY A 22 15.002 -9.224 16.315 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.303 -11.248 16.987 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.226 -11.303 15.606 1.00 0.00 H new ATOM 336 N GLY A 23 16.234 -11.761 14.643 1.00 0.00 N ATOM 337 CA GLY A 23 17.142 -12.689 13.995 1.00 0.00 C ATOM 338 C GLY A 23 18.285 -13.108 14.897 1.00 0.00 C ATOM 339 O GLY A 23 18.197 -12.988 16.119 1.00 0.00 O ATOM 0 H GLY A 23 16.508 -10.780 14.580 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.589 -13.574 13.680 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.545 -12.228 13.093 1.00 0.00 H new ATOM 343 N LYS A 24 19.360 -13.602 14.292 1.00 0.00 N ATOM 344 CA LYS A 24 20.527 -14.042 15.047 1.00 0.00 C ATOM 345 C LYS A 24 21.740 -13.170 14.738 1.00 0.00 C ATOM 346 O LYS A 24 22.792 -13.671 14.339 1.00 0.00 O ATOM 347 CB LYS A 24 20.841 -15.506 14.730 1.00 0.00 C ATOM 348 CG LYS A 24 20.270 -16.484 15.745 1.00 0.00 C ATOM 349 CD LYS A 24 21.196 -16.652 16.939 1.00 0.00 C ATOM 350 CE LYS A 24 20.516 -16.241 18.234 1.00 0.00 C ATOM 351 NZ LYS A 24 20.774 -14.814 18.569 1.00 0.00 N ATOM 0 H LYS A 24 19.447 -13.708 13.281 1.00 0.00 H new ATOM 0 HA LYS A 24 20.298 -13.947 16.108 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.447 -15.748 13.743 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.922 -15.635 14.682 1.00 0.00 H new ATOM 0 HG2 LYS A 24 19.297 -16.130 16.085 1.00 0.00 H new ATOM 0 HG3 LYS A 24 20.109 -17.451 15.269 1.00 0.00 H new ATOM 0 HD2 LYS A 24 21.516 -17.692 17.009 1.00 0.00 H new ATOM 0 HD3 LYS A 24 22.094 -16.051 16.792 1.00 0.00 H new ATOM 0 HE2 LYS A 24 19.442 -16.405 18.148 1.00 0.00 H new ATOM 0 HE3 LYS A 24 20.871 -16.874 19.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.866 -14.711 19.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 21.654 -14.503 18.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.983 -14.230 18.232 1.00 0.00 H new ATOM 365 N ALA A 25 21.588 -11.862 14.927 1.00 0.00 N ATOM 366 CA ALA A 25 22.673 -10.921 14.672 1.00 0.00 C ATOM 367 C ALA A 25 23.892 -11.254 15.522 1.00 0.00 C ATOM 368 O ALA A 25 23.770 -11.535 16.715 1.00 0.00 O ATOM 369 CB ALA A 25 22.213 -9.496 14.943 1.00 0.00 C ATOM 0 H ALA A 25 20.724 -11.430 15.256 1.00 0.00 H new ATOM 0 HA ALA A 25 22.956 -11.005 13.623 1.00 0.00 H new ATOM 0 HB1 ALA A 25 23.034 -8.806 14.748 1.00 0.00 H new ATOM 0 HB2 ALA A 25 21.373 -9.255 14.291 1.00 0.00 H new ATOM 0 HB3 ALA A 25 21.902 -9.406 15.984 1.00 0.00 H new ATOM 375 N ILE A 26 25.069 -11.218 14.905 1.00 0.00 N ATOM 376 CA ILE A 26 26.308 -11.514 15.617 1.00 0.00 C ATOM 377 C ILE A 26 27.078 -10.234 15.917 1.00 0.00 C ATOM 378 O ILE A 26 28.051 -10.244 16.672 1.00 0.00 O ATOM 379 CB ILE A 26 27.212 -12.480 14.822 1.00 0.00 C ATOM 380 CG1 ILE A 26 27.795 -11.785 13.583 1.00 0.00 C ATOM 381 CG2 ILE A 26 26.438 -13.735 14.437 1.00 0.00 C ATOM 382 CD1 ILE A 26 26.908 -11.846 12.357 1.00 0.00 C ATOM 0 H ILE A 26 25.191 -10.988 13.919 1.00 0.00 H new ATOM 0 HA ILE A 26 26.027 -11.998 16.552 1.00 0.00 H new ATOM 0 HB ILE A 26 28.046 -12.778 15.458 1.00 0.00 H new ATOM 0 HG12 ILE A 26 27.989 -10.740 13.825 1.00 0.00 H new ATOM 0 HG13 ILE A 26 28.756 -12.240 13.344 1.00 0.00 H new ATOM 0 HG21 ILE A 26 27.089 -14.406 13.877 1.00 0.00 H new ATOM 0 HG22 ILE A 26 26.088 -14.237 15.339 1.00 0.00 H new ATOM 0 HG23 ILE A 26 25.583 -13.460 13.820 1.00 0.00 H new ATOM 0 HD11 ILE A 26 27.396 -11.331 11.529 1.00 0.00 H new ATOM 0 HD12 ILE A 26 26.734 -12.887 12.085 1.00 0.00 H new ATOM 0 HD13 ILE A 26 25.955 -11.363 12.573 1.00 0.00 H new ATOM 394 N SER A 27 26.630 -9.134 15.321 1.00 0.00 N ATOM 395 CA SER A 27 27.265 -7.837 15.519 1.00 0.00 C ATOM 396 C SER A 27 26.451 -6.734 14.855 1.00 0.00 C ATOM 397 O SER A 27 25.949 -6.901 13.744 1.00 0.00 O ATOM 398 CB SER A 27 28.688 -7.846 14.957 1.00 0.00 C ATOM 399 OG SER A 27 29.579 -7.153 15.814 1.00 0.00 O ATOM 0 H SER A 27 25.826 -9.116 14.694 1.00 0.00 H new ATOM 0 HA SER A 27 27.311 -7.641 16.590 1.00 0.00 H new ATOM 0 HB2 SER A 27 29.026 -8.875 14.831 1.00 0.00 H new ATOM 0 HB3 SER A 27 28.695 -7.385 13.970 1.00 0.00 H new ATOM 0 HG SER A 27 30.482 -7.175 15.434 1.00 0.00 H new ATOM 405 N GLU A 28 26.321 -5.608 15.546 1.00 0.00 N ATOM 406 CA GLU A 28 25.568 -4.474 15.026 1.00 0.00 C ATOM 407 C GLU A 28 26.337 -3.176 15.243 1.00 0.00 C ATOM 408 O GLU A 28 27.005 -3.003 16.262 1.00 0.00 O ATOM 409 CB GLU A 28 24.197 -4.385 15.701 1.00 0.00 C ATOM 410 CG GLU A 28 23.708 -5.704 16.278 1.00 0.00 C ATOM 411 CD GLU A 28 22.697 -5.514 17.392 1.00 0.00 C ATOM 412 OE1 GLU A 28 23.117 -5.417 18.564 1.00 0.00 O ATOM 413 OE2 GLU A 28 21.486 -5.463 17.092 1.00 0.00 O ATOM 0 H GLU A 28 26.728 -5.456 16.469 1.00 0.00 H new ATOM 0 HA GLU A 28 25.425 -4.624 13.956 1.00 0.00 H new ATOM 0 HB2 GLU A 28 24.244 -3.645 16.500 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.468 -4.025 14.975 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.260 -6.300 15.483 1.00 0.00 H new ATOM 0 HG3 GLU A 28 24.560 -6.268 16.658 1.00 0.00 H new ATOM 420 N ALA A 29 26.240 -2.269 14.279 1.00 0.00 N ATOM 421 CA ALA A 29 26.930 -0.987 14.366 1.00 0.00 C ATOM 422 C ALA A 29 25.947 0.153 14.604 1.00 0.00 C ATOM 423 O ALA A 29 24.733 -0.043 14.570 1.00 0.00 O ATOM 424 CB ALA A 29 27.736 -0.734 13.101 1.00 0.00 C ATOM 0 H ALA A 29 25.691 -2.397 13.429 1.00 0.00 H new ATOM 0 HA ALA A 29 27.611 -1.028 15.216 1.00 0.00 H new ATOM 0 HB1 ALA A 29 28.246 0.226 13.180 1.00 0.00 H new ATOM 0 HB2 ALA A 29 28.473 -1.527 12.975 1.00 0.00 H new ATOM 0 HB3 ALA A 29 27.067 -0.720 12.240 1.00 0.00 H new ATOM 430 N LYS A 30 26.481 1.347 14.844 1.00 0.00 N ATOM 431 CA LYS A 30 25.654 2.523 15.087 1.00 0.00 C ATOM 432 C LYS A 30 25.964 3.619 14.072 1.00 0.00 C ATOM 433 O LYS A 30 26.232 4.763 14.439 1.00 0.00 O ATOM 434 CB LYS A 30 25.876 3.045 16.508 1.00 0.00 C ATOM 435 CG LYS A 30 24.603 3.524 17.186 1.00 0.00 C ATOM 436 CD LYS A 30 24.848 4.776 18.012 1.00 0.00 C ATOM 437 CE LYS A 30 24.496 6.034 17.234 1.00 0.00 C ATOM 438 NZ LYS A 30 25.592 7.040 17.279 1.00 0.00 N ATOM 0 H LYS A 30 27.485 1.525 14.875 1.00 0.00 H new ATOM 0 HA LYS A 30 24.609 2.234 14.977 1.00 0.00 H new ATOM 0 HB2 LYS A 30 26.323 2.255 17.111 1.00 0.00 H new ATOM 0 HB3 LYS A 30 26.592 3.866 16.477 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.843 3.728 16.432 1.00 0.00 H new ATOM 0 HG3 LYS A 30 24.212 2.734 17.828 1.00 0.00 H new ATOM 0 HD2 LYS A 30 24.254 4.733 18.925 1.00 0.00 H new ATOM 0 HD3 LYS A 30 25.894 4.815 18.314 1.00 0.00 H new ATOM 0 HE2 LYS A 30 24.286 5.772 16.197 1.00 0.00 H new ATOM 0 HE3 LYS A 30 23.585 6.471 17.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 25.313 7.882 16.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 25.776 7.309 18.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 26.455 6.632 16.865 1.00 0.00 H new ATOM 452 N ALA A 31 25.929 3.257 12.793 1.00 0.00 N ATOM 453 CA ALA A 31 26.210 4.204 11.721 1.00 0.00 C ATOM 454 C ALA A 31 24.923 4.770 11.132 1.00 0.00 C ATOM 455 O ALA A 31 23.823 4.409 11.553 1.00 0.00 O ATOM 456 CB ALA A 31 27.037 3.535 10.635 1.00 0.00 C ATOM 0 H ALA A 31 25.708 2.313 12.474 1.00 0.00 H new ATOM 0 HA ALA A 31 26.779 5.033 12.143 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.241 4.252 9.839 1.00 0.00 H new ATOM 0 HB2 ALA A 31 27.979 3.185 11.058 1.00 0.00 H new ATOM 0 HB3 ALA A 31 26.485 2.688 10.227 1.00 0.00 H new ATOM 462 N ALA A 32 25.069 5.657 10.153 1.00 0.00 N ATOM 463 CA ALA A 32 23.921 6.273 9.499 1.00 0.00 C ATOM 464 C ALA A 32 23.767 5.761 8.071 1.00 0.00 C ATOM 465 O ALA A 32 22.660 5.709 7.535 1.00 0.00 O ATOM 466 CB ALA A 32 24.060 7.788 9.506 1.00 0.00 C ATOM 0 H ALA A 32 25.973 5.965 9.795 1.00 0.00 H new ATOM 0 HA ALA A 32 23.025 5.999 10.056 1.00 0.00 H new ATOM 0 HB1 ALA A 32 23.196 8.235 9.014 1.00 0.00 H new ATOM 0 HB2 ALA A 32 24.116 8.143 10.535 1.00 0.00 H new ATOM 0 HB3 ALA A 32 24.968 8.073 8.974 1.00 0.00 H new ATOM 472 N SER A 33 24.886 5.381 7.462 1.00 0.00 N ATOM 473 CA SER A 33 24.880 4.869 6.097 1.00 0.00 C ATOM 474 C SER A 33 25.460 3.459 6.045 1.00 0.00 C ATOM 475 O SER A 33 26.424 3.150 6.746 1.00 0.00 O ATOM 476 CB SER A 33 25.677 5.796 5.178 1.00 0.00 C ATOM 477 OG SER A 33 24.848 6.355 4.173 1.00 0.00 O ATOM 0 H SER A 33 25.809 5.418 7.893 1.00 0.00 H new ATOM 0 HA SER A 33 23.846 4.831 5.753 1.00 0.00 H new ATOM 0 HB2 SER A 33 26.130 6.594 5.766 1.00 0.00 H new ATOM 0 HB3 SER A 33 26.492 5.240 4.714 1.00 0.00 H new ATOM 0 HG SER A 33 25.381 6.945 3.600 1.00 0.00 H new ATOM 483 N SER A 34 24.866 2.610 5.212 1.00 0.00 N ATOM 484 CA SER A 34 25.320 1.231 5.069 1.00 0.00 C ATOM 485 C SER A 34 26.807 1.175 4.739 1.00 0.00 C ATOM 486 O SER A 34 27.484 0.195 5.050 1.00 0.00 O ATOM 487 CB SER A 34 24.523 0.519 3.979 1.00 0.00 C ATOM 488 OG SER A 34 23.194 1.008 3.913 1.00 0.00 O ATOM 0 H SER A 34 24.068 2.853 4.625 1.00 0.00 H new ATOM 0 HA SER A 34 25.157 0.725 6.021 1.00 0.00 H new ATOM 0 HB2 SER A 34 25.013 0.660 3.016 1.00 0.00 H new ATOM 0 HB3 SER A 34 24.509 -0.553 4.176 1.00 0.00 H new ATOM 0 HG SER A 34 22.920 1.085 2.975 1.00 0.00 H new ATOM 494 N GLN A 35 27.308 2.233 4.108 1.00 0.00 N ATOM 495 CA GLN A 35 28.715 2.307 3.738 1.00 0.00 C ATOM 496 C GLN A 35 29.600 2.023 4.947 1.00 0.00 C ATOM 497 O GLN A 35 30.490 1.173 4.894 1.00 0.00 O ATOM 498 CB GLN A 35 29.031 3.687 3.150 1.00 0.00 C ATOM 499 CG GLN A 35 30.444 4.177 3.431 1.00 0.00 C ATOM 500 CD GLN A 35 31.494 3.407 2.655 1.00 0.00 C ATOM 501 OE1 GLN A 35 31.663 3.605 1.452 1.00 0.00 O ATOM 502 NE2 GLN A 35 32.206 2.522 3.343 1.00 0.00 N ATOM 0 H GLN A 35 26.759 3.051 3.843 1.00 0.00 H new ATOM 0 HA GLN A 35 28.920 1.550 2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 35 28.878 3.653 2.071 1.00 0.00 H new ATOM 0 HB3 GLN A 35 28.321 4.411 3.550 1.00 0.00 H new ATOM 0 HG2 GLN A 35 30.514 5.235 3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 35 30.649 4.089 4.498 1.00 0.00 H new ATOM 0 HE21 GLN A 35 32.032 2.391 4.339 1.00 0.00 H new ATOM 0 HE22 GLN A 35 32.927 1.973 2.875 1.00 0.00 H new ATOM 511 N ALA A 36 29.339 2.731 6.038 1.00 0.00 N ATOM 512 CA ALA A 36 30.102 2.549 7.265 1.00 0.00 C ATOM 513 C ALA A 36 29.897 1.144 7.818 1.00 0.00 C ATOM 514 O ALA A 36 30.789 0.574 8.447 1.00 0.00 O ATOM 515 CB ALA A 36 29.702 3.592 8.298 1.00 0.00 C ATOM 0 H ALA A 36 28.605 3.436 6.098 1.00 0.00 H new ATOM 0 HA ALA A 36 31.160 2.677 7.036 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.281 3.442 9.209 1.00 0.00 H new ATOM 0 HB2 ALA A 36 29.898 4.589 7.903 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.640 3.493 8.523 1.00 0.00 H new ATOM 521 N CYS A 37 28.713 0.590 7.572 1.00 0.00 N ATOM 522 CA CYS A 37 28.382 -0.749 8.034 1.00 0.00 C ATOM 523 C CYS A 37 29.125 -1.800 7.218 1.00 0.00 C ATOM 524 O CYS A 37 29.335 -2.923 7.676 1.00 0.00 O ATOM 525 CB CYS A 37 26.873 -0.977 7.934 1.00 0.00 C ATOM 526 SG CYS A 37 25.871 0.483 8.360 1.00 0.00 S ATOM 0 H CYS A 37 27.966 1.052 7.053 1.00 0.00 H new ATOM 0 HA CYS A 37 28.690 -0.842 9.075 1.00 0.00 H new ATOM 0 HB2 CYS A 37 26.630 -1.287 6.918 1.00 0.00 H new ATOM 0 HB3 CYS A 37 26.596 -1.799 8.593 1.00 0.00 H new ATOM 531 N GLN A 38 29.525 -1.423 6.008 1.00 0.00 N ATOM 532 CA GLN A 38 30.250 -2.328 5.126 1.00 0.00 C ATOM 533 C GLN A 38 31.715 -2.419 5.540 1.00 0.00 C ATOM 534 O GLN A 38 32.319 -3.491 5.495 1.00 0.00 O ATOM 535 CB GLN A 38 30.146 -1.853 3.676 1.00 0.00 C ATOM 536 CG GLN A 38 28.806 -2.165 3.029 1.00 0.00 C ATOM 537 CD GLN A 38 28.844 -3.426 2.188 1.00 0.00 C ATOM 538 OE1 GLN A 38 28.904 -3.366 0.960 1.00 0.00 O ATOM 539 NE2 GLN A 38 28.808 -4.578 2.847 1.00 0.00 N ATOM 0 H GLN A 38 29.359 -0.496 5.616 1.00 0.00 H new ATOM 0 HA GLN A 38 29.802 -3.318 5.207 1.00 0.00 H new ATOM 0 HB2 GLN A 38 30.315 -0.777 3.642 1.00 0.00 H new ATOM 0 HB3 GLN A 38 30.940 -2.319 3.092 1.00 0.00 H new ATOM 0 HG2 GLN A 38 28.048 -2.273 3.805 1.00 0.00 H new ATOM 0 HG3 GLN A 38 28.504 -1.325 2.404 1.00 0.00 H new ATOM 0 HE21 GLN A 38 28.758 -4.581 3.866 1.00 0.00 H new ATOM 0 HE22 GLN A 38 28.830 -5.460 2.334 1.00 0.00 H new ATOM 548 N GLU A 39 32.277 -1.285 5.945 1.00 0.00 N ATOM 549 CA GLU A 39 33.671 -1.229 6.370 1.00 0.00 C ATOM 550 C GLU A 39 33.871 -1.968 7.689 1.00 0.00 C ATOM 551 O GLU A 39 34.890 -2.629 7.891 1.00 0.00 O ATOM 552 CB GLU A 39 34.125 0.225 6.512 1.00 0.00 C ATOM 553 CG GLU A 39 34.802 0.776 5.268 1.00 0.00 C ATOM 554 CD GLU A 39 36.308 0.870 5.416 1.00 0.00 C ATOM 555 OE1 GLU A 39 36.967 -0.190 5.463 1.00 0.00 O ATOM 556 OE2 GLU A 39 36.828 2.003 5.486 1.00 0.00 O ATOM 0 H GLU A 39 31.788 -0.391 5.988 1.00 0.00 H new ATOM 0 HA GLU A 39 34.276 -1.719 5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 39 33.261 0.845 6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 39 34.813 0.301 7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 39 34.564 0.138 4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 39 34.400 1.765 5.048 1.00 0.00 H new ATOM 563 N LEU A 40 32.892 -1.857 8.582 1.00 0.00 N ATOM 564 CA LEU A 40 32.966 -2.521 9.878 1.00 0.00 C ATOM 565 C LEU A 40 32.732 -4.020 9.720 1.00 0.00 C ATOM 566 O LEU A 40 33.357 -4.832 10.403 1.00 0.00 O ATOM 567 CB LEU A 40 31.947 -1.910 10.851 1.00 0.00 C ATOM 568 CG LEU A 40 30.863 -2.861 11.367 1.00 0.00 C ATOM 569 CD1 LEU A 40 30.780 -2.803 12.885 1.00 0.00 C ATOM 570 CD2 LEU A 40 29.518 -2.521 10.745 1.00 0.00 C ATOM 0 H LEU A 40 32.041 -1.315 8.432 1.00 0.00 H new ATOM 0 HA LEU A 40 33.964 -2.372 10.291 1.00 0.00 H new ATOM 0 HB2 LEU A 40 32.488 -1.507 11.707 1.00 0.00 H new ATOM 0 HB3 LEU A 40 31.460 -1.069 10.357 1.00 0.00 H new ATOM 0 HG LEU A 40 31.129 -3.877 11.077 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.004 -3.485 13.233 1.00 0.00 H new ATOM 0 HD12 LEU A 40 31.739 -3.095 13.313 1.00 0.00 H new ATOM 0 HD13 LEU A 40 30.537 -1.787 13.198 1.00 0.00 H new ATOM 0 HD21 LEU A 40 28.759 -3.206 11.122 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.245 -1.498 11.005 1.00 0.00 H new ATOM 0 HD23 LEU A 40 29.584 -2.614 9.661 1.00 0.00 H new ATOM 582 N CYS A 41 31.833 -4.377 8.809 1.00 0.00 N ATOM 583 CA CYS A 41 31.520 -5.777 8.553 1.00 0.00 C ATOM 584 C CYS A 41 32.711 -6.479 7.910 1.00 0.00 C ATOM 585 O CYS A 41 32.924 -7.674 8.113 1.00 0.00 O ATOM 586 CB CYS A 41 30.292 -5.890 7.648 1.00 0.00 C ATOM 587 SG CYS A 41 30.301 -7.347 6.553 1.00 0.00 S ATOM 0 H CYS A 41 31.309 -3.716 8.236 1.00 0.00 H new ATOM 0 HA CYS A 41 31.301 -6.261 9.505 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.398 -5.923 8.271 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.222 -4.990 7.036 1.00 0.00 H new ATOM 592 N GLU A 42 33.486 -5.724 7.136 1.00 0.00 N ATOM 593 CA GLU A 42 34.660 -6.269 6.466 1.00 0.00 C ATOM 594 C GLU A 42 35.684 -6.752 7.486 1.00 0.00 C ATOM 595 O GLU A 42 36.406 -7.720 7.245 1.00 0.00 O ATOM 596 CB GLU A 42 35.289 -5.214 5.554 1.00 0.00 C ATOM 597 CG GLU A 42 34.806 -5.287 4.115 1.00 0.00 C ATOM 598 CD GLU A 42 35.892 -5.733 3.157 1.00 0.00 C ATOM 599 OE1 GLU A 42 36.822 -4.939 2.902 1.00 0.00 O ATOM 600 OE2 GLU A 42 35.814 -6.877 2.661 1.00 0.00 O ATOM 0 H GLU A 42 33.321 -4.733 6.958 1.00 0.00 H new ATOM 0 HA GLU A 42 34.344 -7.118 5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 42 35.069 -4.224 5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 42 36.373 -5.331 5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 42 33.965 -5.978 4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 42 34.437 -4.308 3.810 1.00 0.00 H new ATOM 607 N LYS A 43 35.739 -6.072 8.626 1.00 0.00 N ATOM 608 CA LYS A 43 36.672 -6.432 9.687 1.00 0.00 C ATOM 609 C LYS A 43 36.220 -7.702 10.399 1.00 0.00 C ATOM 610 O LYS A 43 37.009 -8.362 11.076 1.00 0.00 O ATOM 611 CB LYS A 43 36.800 -5.287 10.694 1.00 0.00 C ATOM 612 CG LYS A 43 37.633 -4.121 10.186 1.00 0.00 C ATOM 613 CD LYS A 43 38.860 -3.892 11.054 1.00 0.00 C ATOM 614 CE LYS A 43 38.662 -2.720 12.000 1.00 0.00 C ATOM 615 NZ LYS A 43 37.853 -3.098 13.192 1.00 0.00 N ATOM 0 H LYS A 43 35.148 -5.268 8.839 1.00 0.00 H new ATOM 0 HA LYS A 43 37.646 -6.617 9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 43 35.804 -4.927 10.951 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.247 -5.669 11.612 1.00 0.00 H new ATOM 0 HG2 LYS A 43 37.944 -4.315 9.159 1.00 0.00 H new ATOM 0 HG3 LYS A 43 37.024 -3.217 10.170 1.00 0.00 H new ATOM 0 HD2 LYS A 43 39.073 -4.793 11.629 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.726 -3.706 10.419 1.00 0.00 H new ATOM 0 HE2 LYS A 43 39.634 -2.347 12.324 1.00 0.00 H new ATOM 0 HE3 LYS A 43 38.169 -1.905 11.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 37.741 -2.271 13.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 36.916 -3.430 12.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 38.336 -3.858 13.713 1.00 0.00 H new ATOM 629 N ASP A 44 34.943 -8.039 10.241 1.00 0.00 N ATOM 630 CA ASP A 44 34.382 -9.230 10.867 1.00 0.00 C ATOM 631 C ASP A 44 34.337 -10.393 9.881 1.00 0.00 C ATOM 632 O ASP A 44 33.827 -10.256 8.769 1.00 0.00 O ATOM 633 CB ASP A 44 32.976 -8.940 11.396 1.00 0.00 C ATOM 634 CG ASP A 44 32.540 -9.934 12.455 1.00 0.00 C ATOM 635 OD1 ASP A 44 33.260 -10.079 13.465 1.00 0.00 O ATOM 636 OD2 ASP A 44 31.479 -10.567 12.273 1.00 0.00 O ATOM 0 H ASP A 44 34.278 -7.503 9.684 1.00 0.00 H new ATOM 0 HA ASP A 44 35.026 -9.509 11.701 1.00 0.00 H new ATOM 0 HB2 ASP A 44 32.948 -7.933 11.813 1.00 0.00 H new ATOM 0 HB3 ASP A 44 32.268 -8.962 10.568 1.00 0.00 H new ATOM 641 N ALA A 45 34.874 -11.535 10.297 1.00 0.00 N ATOM 642 CA ALA A 45 34.895 -12.723 9.451 1.00 0.00 C ATOM 643 C ALA A 45 33.641 -13.565 9.654 1.00 0.00 C ATOM 644 O ALA A 45 33.600 -14.737 9.279 1.00 0.00 O ATOM 645 CB ALA A 45 36.139 -13.550 9.736 1.00 0.00 C ATOM 0 H ALA A 45 35.300 -11.663 11.215 1.00 0.00 H new ATOM 0 HA ALA A 45 34.917 -12.398 8.411 1.00 0.00 H new ATOM 0 HB1 ALA A 45 36.142 -14.434 9.098 1.00 0.00 H new ATOM 0 HB2 ALA A 45 37.028 -12.952 9.533 1.00 0.00 H new ATOM 0 HB3 ALA A 45 36.140 -13.857 10.782 1.00 0.00 H new ATOM 651 N LYS A 46 32.619 -12.960 10.251 1.00 0.00 N ATOM 652 CA LYS A 46 31.362 -13.654 10.505 1.00 0.00 C ATOM 653 C LYS A 46 30.191 -12.907 9.877 1.00 0.00 C ATOM 654 O LYS A 46 29.030 -13.241 10.113 1.00 0.00 O ATOM 655 CB LYS A 46 31.136 -13.803 12.010 1.00 0.00 C ATOM 656 CG LYS A 46 31.840 -15.007 12.614 1.00 0.00 C ATOM 657 CD LYS A 46 30.851 -15.967 13.255 1.00 0.00 C ATOM 658 CE LYS A 46 30.239 -16.906 12.228 1.00 0.00 C ATOM 659 NZ LYS A 46 28.862 -17.325 12.609 1.00 0.00 N ATOM 0 H LYS A 46 32.637 -11.991 10.568 1.00 0.00 H new ATOM 0 HA LYS A 46 31.423 -14.643 10.052 1.00 0.00 H new ATOM 0 HB2 LYS A 46 31.483 -12.900 12.512 1.00 0.00 H new ATOM 0 HB3 LYS A 46 30.066 -13.884 12.202 1.00 0.00 H new ATOM 0 HG2 LYS A 46 32.403 -15.527 11.839 1.00 0.00 H new ATOM 0 HG3 LYS A 46 32.560 -14.672 13.361 1.00 0.00 H new ATOM 0 HD2 LYS A 46 31.355 -16.549 14.026 1.00 0.00 H new ATOM 0 HD3 LYS A 46 30.061 -15.401 13.748 1.00 0.00 H new ATOM 0 HE2 LYS A 46 30.213 -16.413 11.256 1.00 0.00 H new ATOM 0 HE3 LYS A 46 30.870 -17.788 12.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 28.480 -17.964 11.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 28.890 -17.818 13.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 28.253 -16.486 12.686 1.00 0.00 H new ATOM 673 N CYS A 47 30.503 -11.893 9.077 1.00 0.00 N ATOM 674 CA CYS A 47 29.474 -11.098 8.415 1.00 0.00 C ATOM 675 C CYS A 47 29.331 -11.499 6.950 1.00 0.00 C ATOM 676 O CYS A 47 30.316 -11.819 6.284 1.00 0.00 O ATOM 677 CB CYS A 47 29.805 -9.608 8.517 1.00 0.00 C ATOM 678 SG CYS A 47 28.881 -8.560 7.347 1.00 0.00 S ATOM 0 H CYS A 47 31.459 -11.602 8.871 1.00 0.00 H new ATOM 0 HA CYS A 47 28.526 -11.288 8.919 1.00 0.00 H new ATOM 0 HB2 CYS A 47 29.599 -9.270 9.532 1.00 0.00 H new ATOM 0 HB3 CYS A 47 30.873 -9.471 8.346 1.00 0.00 H new ATOM 683 N ARG A 48 28.098 -11.474 6.456 1.00 0.00 N ATOM 684 CA ARG A 48 27.819 -11.830 5.070 1.00 0.00 C ATOM 685 C ARG A 48 26.665 -10.996 4.521 1.00 0.00 C ATOM 686 O ARG A 48 26.732 -10.483 3.404 1.00 0.00 O ATOM 687 CB ARG A 48 27.485 -13.319 4.959 1.00 0.00 C ATOM 688 CG ARG A 48 28.711 -14.218 4.937 1.00 0.00 C ATOM 689 CD ARG A 48 28.538 -15.374 3.966 1.00 0.00 C ATOM 690 NE ARG A 48 29.702 -16.256 3.951 1.00 0.00 N ATOM 691 CZ ARG A 48 30.411 -16.524 2.858 1.00 0.00 C ATOM 692 NH1 ARG A 48 30.075 -15.979 1.696 1.00 0.00 N ATOM 693 NH2 ARG A 48 31.456 -17.336 2.926 1.00 0.00 N ATOM 0 H ARG A 48 27.274 -11.210 6.996 1.00 0.00 H new ATOM 0 HA ARG A 48 28.711 -11.622 4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 48 26.851 -13.604 5.798 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.906 -13.486 4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 48 29.587 -13.633 4.656 1.00 0.00 H new ATOM 0 HG3 ARG A 48 28.896 -14.607 5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 48 27.652 -15.947 4.240 1.00 0.00 H new ATOM 0 HD3 ARG A 48 28.367 -14.982 2.963 1.00 0.00 H new ATOM 0 HE ARG A 48 29.987 -16.691 4.828 1.00 0.00 H new ATOM 0 HH11 ARG A 48 29.272 -15.353 1.640 1.00 0.00 H new ATOM 0 HH12 ARG A 48 30.620 -16.186 0.859 1.00 0.00 H new ATOM 0 HH21 ARG A 48 31.718 -17.757 3.818 1.00 0.00 H new ATOM 0 HH22 ARG A 48 31.999 -17.540 2.087 1.00 0.00 H new ATOM 707 N PHE A 49 25.610 -10.864 5.319 1.00 0.00 N ATOM 708 CA PHE A 49 24.439 -10.091 4.922 1.00 0.00 C ATOM 709 C PHE A 49 24.105 -9.041 5.977 1.00 0.00 C ATOM 710 O PHE A 49 23.354 -9.307 6.915 1.00 0.00 O ATOM 711 CB PHE A 49 23.237 -11.015 4.708 1.00 0.00 C ATOM 712 CG PHE A 49 23.607 -12.383 4.210 1.00 0.00 C ATOM 713 CD1 PHE A 49 23.847 -12.604 2.863 1.00 0.00 C ATOM 714 CD2 PHE A 49 23.714 -13.448 5.090 1.00 0.00 C ATOM 715 CE1 PHE A 49 24.187 -13.863 2.404 1.00 0.00 C ATOM 716 CE2 PHE A 49 24.054 -14.708 4.636 1.00 0.00 C ATOM 717 CZ PHE A 49 24.291 -14.916 3.291 1.00 0.00 C ATOM 0 H PHE A 49 25.542 -11.283 6.246 1.00 0.00 H new ATOM 0 HA PHE A 49 24.668 -9.584 3.984 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.695 -11.115 5.648 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.556 -10.551 3.995 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.768 -11.784 2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 49 23.530 -13.291 6.143 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.371 -14.023 1.352 1.00 0.00 H new ATOM 0 HE2 PHE A 49 24.134 -15.530 5.332 1.00 0.00 H new ATOM 0 HZ PHE A 49 24.557 -15.900 2.934 1.00 0.00 H new ATOM 727 N PHE A 50 24.670 -7.848 5.818 1.00 0.00 N ATOM 728 CA PHE A 50 24.433 -6.759 6.759 1.00 0.00 C ATOM 729 C PHE A 50 23.006 -6.231 6.638 1.00 0.00 C ATOM 730 O PHE A 50 22.253 -6.646 5.757 1.00 0.00 O ATOM 731 CB PHE A 50 25.435 -5.626 6.524 1.00 0.00 C ATOM 732 CG PHE A 50 25.226 -4.897 5.228 1.00 0.00 C ATOM 733 CD1 PHE A 50 25.734 -5.404 4.043 1.00 0.00 C ATOM 734 CD2 PHE A 50 24.522 -3.705 5.196 1.00 0.00 C ATOM 735 CE1 PHE A 50 25.542 -4.736 2.849 1.00 0.00 C ATOM 736 CE2 PHE A 50 24.326 -3.032 4.006 1.00 0.00 C ATOM 737 CZ PHE A 50 24.837 -3.548 2.830 1.00 0.00 C ATOM 0 H PHE A 50 25.295 -7.611 5.047 1.00 0.00 H new ATOM 0 HA PHE A 50 24.568 -7.149 7.768 1.00 0.00 H new ATOM 0 HB2 PHE A 50 25.365 -4.914 7.347 1.00 0.00 H new ATOM 0 HB3 PHE A 50 26.445 -6.036 6.542 1.00 0.00 H new ATOM 0 HD1 PHE A 50 26.286 -6.332 4.053 1.00 0.00 H new ATOM 0 HD2 PHE A 50 24.122 -3.297 6.112 1.00 0.00 H new ATOM 0 HE1 PHE A 50 25.942 -5.142 1.932 1.00 0.00 H new ATOM 0 HE2 PHE A 50 23.774 -2.104 3.994 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.685 -3.024 1.898 1.00 0.00 H new ATOM 747 N THR A 51 22.645 -5.315 7.531 1.00 0.00 N ATOM 748 CA THR A 51 21.311 -4.727 7.533 1.00 0.00 C ATOM 749 C THR A 51 21.288 -3.431 8.339 1.00 0.00 C ATOM 750 O THR A 51 21.190 -3.453 9.567 1.00 0.00 O ATOM 751 CB THR A 51 20.266 -5.707 8.109 1.00 0.00 C ATOM 752 OG1 THR A 51 20.082 -6.805 7.209 1.00 0.00 O ATOM 753 CG2 THR A 51 18.932 -5.013 8.343 1.00 0.00 C ATOM 0 H THR A 51 23.260 -4.963 8.265 1.00 0.00 H new ATOM 0 HA THR A 51 21.054 -4.509 6.496 1.00 0.00 H new ATOM 0 HB THR A 51 20.637 -6.073 9.067 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.597 -6.647 6.390 1.00 0.00 H new ATOM 0 HG21 THR A 51 18.216 -5.728 8.749 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.067 -4.194 9.049 1.00 0.00 H new ATOM 0 HG23 THR A 51 18.556 -4.619 7.399 1.00 0.00 H new ATOM 761 N LEU A 52 21.380 -2.305 7.640 1.00 0.00 N ATOM 762 CA LEU A 52 21.369 -0.999 8.289 1.00 0.00 C ATOM 763 C LEU A 52 19.940 -0.496 8.466 1.00 0.00 C ATOM 764 O LEU A 52 19.050 -0.834 7.686 1.00 0.00 O ATOM 765 CB LEU A 52 22.186 0.007 7.472 1.00 0.00 C ATOM 766 CG LEU A 52 21.928 1.480 7.803 1.00 0.00 C ATOM 767 CD1 LEU A 52 22.857 1.949 8.912 1.00 0.00 C ATOM 768 CD2 LEU A 52 22.096 2.342 6.562 1.00 0.00 C ATOM 0 H LEU A 52 21.463 -2.270 6.624 1.00 0.00 H new ATOM 0 HA LEU A 52 21.822 -1.103 9.275 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.245 -0.202 7.622 1.00 0.00 H new ATOM 0 HB3 LEU A 52 21.976 -0.153 6.414 1.00 0.00 H new ATOM 0 HG LEU A 52 20.901 1.580 8.153 1.00 0.00 H new ATOM 0 HD11 LEU A 52 22.659 2.998 9.133 1.00 0.00 H new ATOM 0 HD12 LEU A 52 22.686 1.351 9.807 1.00 0.00 H new ATOM 0 HD13 LEU A 52 23.893 1.835 8.592 1.00 0.00 H new ATOM 0 HD21 LEU A 52 21.909 3.385 6.816 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.112 2.238 6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 52 21.388 2.022 5.798 1.00 0.00 H new ATOM 780 N ALA A 53 19.730 0.316 9.497 1.00 0.00 N ATOM 781 CA ALA A 53 18.414 0.872 9.780 1.00 0.00 C ATOM 782 C ALA A 53 18.469 2.394 9.830 1.00 0.00 C ATOM 783 O ALA A 53 19.388 3.008 9.286 1.00 0.00 O ATOM 784 CB ALA A 53 17.879 0.314 11.090 1.00 0.00 C ATOM 0 H ALA A 53 20.458 0.604 10.152 1.00 0.00 H new ATOM 0 HA ALA A 53 17.738 0.584 8.975 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.895 0.737 11.291 1.00 0.00 H new ATOM 0 HB2 ALA A 53 17.800 -0.771 11.018 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.558 0.575 11.901 1.00 0.00 H new ATOM 790 N SER A 54 17.482 2.995 10.484 1.00 0.00 N ATOM 791 CA SER A 54 17.417 4.448 10.608 1.00 0.00 C ATOM 792 C SER A 54 18.718 5.007 11.177 1.00 0.00 C ATOM 793 O SER A 54 19.031 6.184 10.994 1.00 0.00 O ATOM 794 CB SER A 54 16.242 4.853 11.500 1.00 0.00 C ATOM 795 OG SER A 54 15.703 3.730 12.176 1.00 0.00 O ATOM 0 H SER A 54 16.715 2.499 10.937 1.00 0.00 H new ATOM 0 HA SER A 54 17.269 4.865 9.612 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.572 5.595 12.227 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.467 5.323 10.895 1.00 0.00 H new ATOM 0 HG SER A 54 15.051 3.282 11.597 1.00 0.00 H new ATOM 801 N GLY A 55 19.471 4.155 11.866 1.00 0.00 N ATOM 802 CA GLY A 55 20.730 4.579 12.451 1.00 0.00 C ATOM 803 C GLY A 55 21.419 3.467 13.216 1.00 0.00 C ATOM 804 O GLY A 55 22.002 3.701 14.275 1.00 0.00 O ATOM 0 H GLY A 55 19.231 3.177 12.030 1.00 0.00 H new ATOM 0 HA2 GLY A 55 21.391 4.936 11.662 1.00 0.00 H new ATOM 0 HA3 GLY A 55 20.550 5.420 13.121 1.00 0.00 H new ATOM 808 N LYS A 56 21.350 2.253 12.680 1.00 0.00 N ATOM 809 CA LYS A 56 21.970 1.097 13.320 1.00 0.00 C ATOM 810 C LYS A 56 22.183 -0.035 12.319 1.00 0.00 C ATOM 811 O LYS A 56 21.228 -0.551 11.739 1.00 0.00 O ATOM 812 CB LYS A 56 21.102 0.609 14.481 1.00 0.00 C ATOM 813 CG LYS A 56 21.859 -0.230 15.497 1.00 0.00 C ATOM 814 CD LYS A 56 21.090 -0.353 16.802 1.00 0.00 C ATOM 815 CE LYS A 56 21.131 -1.774 17.341 1.00 0.00 C ATOM 816 NZ LYS A 56 20.354 -1.912 18.603 1.00 0.00 N ATOM 0 H LYS A 56 20.871 2.043 11.804 1.00 0.00 H new ATOM 0 HA LYS A 56 22.943 1.404 13.703 1.00 0.00 H new ATOM 0 HB2 LYS A 56 20.668 1.472 14.986 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.274 0.022 14.083 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.042 -1.223 15.086 1.00 0.00 H new ATOM 0 HG3 LYS A 56 22.833 0.220 15.689 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.512 0.329 17.540 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.054 -0.052 16.645 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.731 -2.458 16.592 1.00 0.00 H new ATOM 0 HE3 LYS A 56 22.166 -2.065 17.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 20.407 -2.895 18.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 20.751 -1.278 19.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 19.360 -1.659 18.428 1.00 0.00 H new ATOM 830 N CYS A 57 23.443 -0.420 12.125 1.00 0.00 N ATOM 831 CA CYS A 57 23.782 -1.495 11.198 1.00 0.00 C ATOM 832 C CYS A 57 23.613 -2.855 11.866 1.00 0.00 C ATOM 833 O CYS A 57 23.641 -2.960 13.092 1.00 0.00 O ATOM 834 CB CYS A 57 25.219 -1.336 10.700 1.00 0.00 C ATOM 835 SG CYS A 57 25.710 0.389 10.382 1.00 0.00 S ATOM 0 H CYS A 57 24.245 -0.003 12.598 1.00 0.00 H new ATOM 0 HA CYS A 57 23.103 -1.436 10.347 1.00 0.00 H new ATOM 0 HB2 CYS A 57 25.897 -1.765 11.437 1.00 0.00 H new ATOM 0 HB3 CYS A 57 25.340 -1.912 9.782 1.00 0.00 H new ATOM 840 N SER A 58 23.433 -3.895 11.057 1.00 0.00 N ATOM 841 CA SER A 58 23.256 -5.243 11.577 1.00 0.00 C ATOM 842 C SER A 58 23.824 -6.282 10.617 1.00 0.00 C ATOM 843 O SER A 58 23.189 -6.631 9.625 1.00 0.00 O ATOM 844 CB SER A 58 21.773 -5.521 11.810 1.00 0.00 C ATOM 845 OG SER A 58 21.462 -5.526 13.192 1.00 0.00 O ATOM 0 H SER A 58 23.406 -3.828 10.040 1.00 0.00 H new ATOM 0 HA SER A 58 23.796 -5.314 12.521 1.00 0.00 H new ATOM 0 HB2 SER A 58 21.175 -4.764 11.303 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.508 -6.483 11.372 1.00 0.00 H new ATOM 0 HG SER A 58 20.506 -5.705 13.311 1.00 0.00 H new ATOM 851 N LEU A 59 25.015 -6.786 10.921 1.00 0.00 N ATOM 852 CA LEU A 59 25.643 -7.796 10.078 1.00 0.00 C ATOM 853 C LEU A 59 25.204 -9.188 10.512 1.00 0.00 C ATOM 854 O LEU A 59 25.212 -9.507 11.701 1.00 0.00 O ATOM 855 CB LEU A 59 27.172 -7.681 10.122 1.00 0.00 C ATOM 856 CG LEU A 59 27.743 -6.889 11.301 1.00 0.00 C ATOM 857 CD1 LEU A 59 29.174 -7.322 11.586 1.00 0.00 C ATOM 858 CD2 LEU A 59 27.683 -5.396 11.024 1.00 0.00 C ATOM 0 H LEU A 59 25.561 -6.514 11.738 1.00 0.00 H new ATOM 0 HA LEU A 59 25.323 -7.627 9.050 1.00 0.00 H new ATOM 0 HB2 LEU A 59 27.593 -8.686 10.145 1.00 0.00 H new ATOM 0 HB3 LEU A 59 27.510 -7.215 9.197 1.00 0.00 H new ATOM 0 HG LEU A 59 27.136 -7.097 12.182 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.567 -6.750 12.427 1.00 0.00 H new ATOM 0 HD12 LEU A 59 29.191 -8.384 11.830 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.791 -7.142 10.705 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.094 -4.851 11.874 1.00 0.00 H new ATOM 0 HD22 LEU A 59 28.265 -5.168 10.131 1.00 0.00 H new ATOM 0 HD23 LEU A 59 26.647 -5.096 10.867 1.00 0.00 H new ATOM 870 N PHE A 60 24.805 -10.008 9.546 1.00 0.00 N ATOM 871 CA PHE A 60 24.345 -11.361 9.836 1.00 0.00 C ATOM 872 C PHE A 60 25.194 -12.403 9.115 1.00 0.00 C ATOM 873 O PHE A 60 25.550 -12.231 7.949 1.00 0.00 O ATOM 874 CB PHE A 60 22.877 -11.511 9.431 1.00 0.00 C ATOM 875 CG PHE A 60 21.963 -10.532 10.113 1.00 0.00 C ATOM 876 CD1 PHE A 60 21.406 -10.826 11.346 1.00 0.00 C ATOM 877 CD2 PHE A 60 21.662 -9.316 9.520 1.00 0.00 C ATOM 878 CE1 PHE A 60 20.565 -9.927 11.974 1.00 0.00 C ATOM 879 CE2 PHE A 60 20.823 -8.415 10.143 1.00 0.00 C ATOM 880 CZ PHE A 60 20.273 -8.720 11.370 1.00 0.00 C ATOM 0 H PHE A 60 24.791 -9.760 8.557 1.00 0.00 H new ATOM 0 HA PHE A 60 24.445 -11.529 10.908 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.792 -11.384 8.352 1.00 0.00 H new ATOM 0 HB3 PHE A 60 22.547 -12.524 9.660 1.00 0.00 H new ATOM 0 HD1 PHE A 60 21.631 -11.769 11.822 1.00 0.00 H new ATOM 0 HD2 PHE A 60 22.089 -9.071 8.559 1.00 0.00 H new ATOM 0 HE1 PHE A 60 20.137 -10.168 12.936 1.00 0.00 H new ATOM 0 HE2 PHE A 60 20.597 -7.471 9.670 1.00 0.00 H new ATOM 0 HZ PHE A 60 19.615 -8.016 11.858 1.00 0.00 H new ATOM 890 N ALA A 61 25.509 -13.488 9.817 1.00 0.00 N ATOM 891 CA ALA A 61 26.310 -14.564 9.246 1.00 0.00 C ATOM 892 C ALA A 61 25.466 -15.451 8.339 1.00 0.00 C ATOM 893 O ALA A 61 25.949 -15.962 7.328 1.00 0.00 O ATOM 894 CB ALA A 61 26.945 -15.392 10.353 1.00 0.00 C ATOM 0 H ALA A 61 25.221 -13.644 10.783 1.00 0.00 H new ATOM 0 HA ALA A 61 27.100 -14.117 8.642 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.540 -16.192 9.913 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.587 -14.755 10.962 1.00 0.00 H new ATOM 0 HB3 ALA A 61 26.164 -15.823 10.979 1.00 0.00 H new ATOM 900 N ASP A 62 24.202 -15.629 8.708 1.00 0.00 N ATOM 901 CA ASP A 62 23.284 -16.454 7.931 1.00 0.00 C ATOM 902 C ASP A 62 21.836 -16.081 8.228 1.00 0.00 C ATOM 903 O ASP A 62 21.557 -15.339 9.170 1.00 0.00 O ATOM 904 CB ASP A 62 23.514 -17.936 8.235 1.00 0.00 C ATOM 905 CG ASP A 62 23.419 -18.804 6.996 1.00 0.00 C ATOM 906 OD1 ASP A 62 24.384 -18.813 6.202 1.00 0.00 O ATOM 907 OD2 ASP A 62 22.380 -19.474 6.819 1.00 0.00 O ATOM 0 H ASP A 62 23.789 -15.212 9.542 1.00 0.00 H new ATOM 0 HA ASP A 62 23.478 -16.273 6.874 1.00 0.00 H new ATOM 0 HB2 ASP A 62 24.497 -18.062 8.689 1.00 0.00 H new ATOM 0 HB3 ASP A 62 22.780 -18.272 8.967 1.00 0.00 H new ATOM 912 N ASP A 63 20.918 -16.601 7.419 1.00 0.00 N ATOM 913 CA ASP A 63 19.497 -16.322 7.596 1.00 0.00 C ATOM 914 C ASP A 63 18.869 -17.304 8.580 1.00 0.00 C ATOM 915 O ASP A 63 19.195 -18.491 8.581 1.00 0.00 O ATOM 916 CB ASP A 63 18.771 -16.394 6.252 1.00 0.00 C ATOM 917 CG ASP A 63 18.746 -15.057 5.537 1.00 0.00 C ATOM 918 OD1 ASP A 63 18.209 -14.086 6.111 1.00 0.00 O ATOM 919 OD2 ASP A 63 19.265 -14.981 4.404 1.00 0.00 O ATOM 0 H ASP A 63 21.132 -17.217 6.635 1.00 0.00 H new ATOM 0 HA ASP A 63 19.397 -15.315 8.001 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.259 -17.133 5.617 1.00 0.00 H new ATOM 0 HB3 ASP A 63 17.749 -16.737 6.412 1.00 0.00 H new ATOM 924 N ALA A 64 17.966 -16.801 9.416 1.00 0.00 N ATOM 925 CA ALA A 64 17.291 -17.633 10.404 1.00 0.00 C ATOM 926 C ALA A 64 15.843 -17.196 10.594 1.00 0.00 C ATOM 927 O ALA A 64 14.921 -17.822 10.069 1.00 0.00 O ATOM 928 CB ALA A 64 18.037 -17.587 11.730 1.00 0.00 C ATOM 0 H ALA A 64 17.685 -15.820 9.428 1.00 0.00 H new ATOM 0 HA ALA A 64 17.287 -18.659 10.037 1.00 0.00 H new ATOM 0 HB1 ALA A 64 17.522 -18.213 12.459 1.00 0.00 H new ATOM 0 HB2 ALA A 64 19.053 -17.955 11.589 1.00 0.00 H new ATOM 0 HB3 ALA A 64 18.071 -16.560 12.093 1.00 0.00 H new ATOM 934 N ALA A 65 15.651 -16.120 11.347 1.00 0.00 N ATOM 935 CA ALA A 65 14.316 -15.596 11.609 1.00 0.00 C ATOM 936 C ALA A 65 14.303 -14.072 11.555 1.00 0.00 C ATOM 937 O ALA A 65 13.311 -13.438 11.917 1.00 0.00 O ATOM 938 CB ALA A 65 13.815 -16.082 12.960 1.00 0.00 C ATOM 0 H ALA A 65 16.404 -15.592 11.788 1.00 0.00 H new ATOM 0 HA ALA A 65 13.648 -15.966 10.831 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.817 -15.683 13.143 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.777 -17.171 12.963 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.491 -15.740 13.743 1.00 0.00 H new ATOM 944 N LEU A 66 15.409 -13.491 11.101 1.00 0.00 N ATOM 945 CA LEU A 66 15.526 -12.040 11.000 1.00 0.00 C ATOM 946 C LEU A 66 14.463 -11.471 10.066 1.00 0.00 C ATOM 947 O LEU A 66 14.588 -11.550 8.844 1.00 0.00 O ATOM 948 CB LEU A 66 16.920 -11.652 10.502 1.00 0.00 C ATOM 949 CG LEU A 66 17.479 -12.535 9.384 1.00 0.00 C ATOM 950 CD1 LEU A 66 18.009 -11.678 8.244 1.00 0.00 C ATOM 951 CD2 LEU A 66 18.570 -13.448 9.921 1.00 0.00 C ATOM 0 H LEU A 66 16.237 -14.003 10.797 1.00 0.00 H new ATOM 0 HA LEU A 66 15.373 -11.619 11.994 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.889 -10.621 10.149 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.611 -11.679 11.345 1.00 0.00 H new ATOM 0 HG LEU A 66 16.671 -13.157 8.998 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.403 -12.322 7.458 1.00 0.00 H new ATOM 0 HD12 LEU A 66 17.201 -11.067 7.842 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.804 -11.030 8.615 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.956 -14.069 9.112 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.379 -12.845 10.333 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.158 -14.086 10.703 1.00 0.00 H new ATOM 963 N ARG A 67 13.416 -10.898 10.651 1.00 0.00 N ATOM 964 CA ARG A 67 12.329 -10.315 9.874 1.00 0.00 C ATOM 965 C ARG A 67 12.343 -8.791 9.976 1.00 0.00 C ATOM 966 O ARG A 67 12.988 -8.226 10.859 1.00 0.00 O ATOM 967 CB ARG A 67 10.982 -10.857 10.355 1.00 0.00 C ATOM 968 CG ARG A 67 10.460 -12.016 9.523 1.00 0.00 C ATOM 969 CD ARG A 67 9.353 -12.768 10.244 1.00 0.00 C ATOM 970 NE ARG A 67 8.608 -13.643 9.344 1.00 0.00 N ATOM 971 CZ ARG A 67 7.430 -13.326 8.815 1.00 0.00 C ATOM 972 NH1 ARG A 67 6.864 -12.160 9.097 1.00 0.00 N ATOM 973 NH2 ARG A 67 6.816 -14.177 8.003 1.00 0.00 N ATOM 0 H ARG A 67 13.298 -10.825 11.661 1.00 0.00 H new ATOM 0 HA ARG A 67 12.473 -10.593 8.830 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.079 -11.180 11.392 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.249 -10.050 10.339 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.085 -11.641 8.570 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.278 -12.700 9.297 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.784 -13.361 11.051 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.669 -12.054 10.703 1.00 0.00 H new ATOM 0 HE ARG A 67 9.014 -14.548 9.108 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.333 -11.503 9.721 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.960 -11.920 8.689 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.248 -15.075 7.784 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.912 -13.933 7.598 1.00 0.00 H new ATOM 987 N PRO A 68 11.627 -8.102 9.069 1.00 0.00 N ATOM 988 CA PRO A 68 11.560 -6.637 9.062 1.00 0.00 C ATOM 989 C PRO A 68 10.818 -6.085 10.275 1.00 0.00 C ATOM 990 O PRO A 68 10.366 -6.841 11.135 1.00 0.00 O ATOM 991 CB PRO A 68 10.791 -6.321 7.777 1.00 0.00 C ATOM 992 CG PRO A 68 9.989 -7.546 7.504 1.00 0.00 C ATOM 993 CD PRO A 68 10.826 -8.697 7.984 1.00 0.00 C ATOM 0 HA PRO A 68 12.551 -6.185 9.104 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.150 -5.448 7.904 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.470 -6.101 6.953 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.033 -7.512 8.027 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.768 -7.640 6.441 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.209 -9.521 8.344 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.457 -9.095 7.189 1.00 0.00 H new ATOM 1001 N THR A 69 10.696 -4.762 10.336 1.00 0.00 N ATOM 1002 CA THR A 69 10.009 -4.108 11.443 1.00 0.00 C ATOM 1003 C THR A 69 9.582 -2.693 11.065 1.00 0.00 C ATOM 1004 O THR A 69 8.542 -2.208 11.511 1.00 0.00 O ATOM 1005 CB THR A 69 10.897 -4.045 12.700 1.00 0.00 C ATOM 1006 OG1 THR A 69 10.282 -3.218 13.694 1.00 0.00 O ATOM 1007 CG2 THR A 69 12.277 -3.500 12.362 1.00 0.00 C ATOM 0 H THR A 69 11.064 -4.123 9.632 1.00 0.00 H new ATOM 0 HA THR A 69 9.125 -4.706 11.663 1.00 0.00 H new ATOM 0 HB THR A 69 11.009 -5.057 13.089 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.852 -3.185 14.490 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.886 -3.465 13.266 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.755 -4.149 11.628 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.181 -2.495 11.950 1.00 0.00 H new ATOM 1015 N LYS A 70 10.393 -2.037 10.241 1.00 0.00 N ATOM 1016 CA LYS A 70 10.100 -0.677 9.802 1.00 0.00 C ATOM 1017 C LYS A 70 10.891 -0.330 8.545 1.00 0.00 C ATOM 1018 O LYS A 70 11.881 -0.984 8.223 1.00 0.00 O ATOM 1019 CB LYS A 70 10.424 0.322 10.915 1.00 0.00 C ATOM 1020 CG LYS A 70 9.513 1.539 10.923 1.00 0.00 C ATOM 1021 CD LYS A 70 8.444 1.428 11.998 1.00 0.00 C ATOM 1022 CE LYS A 70 7.718 2.747 12.201 1.00 0.00 C ATOM 1023 NZ LYS A 70 8.649 3.840 12.596 1.00 0.00 N ATOM 0 H LYS A 70 11.258 -2.425 9.864 1.00 0.00 H new ATOM 0 HA LYS A 70 9.037 -0.618 9.569 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.351 -0.183 11.878 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.457 0.652 10.806 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.106 2.438 11.090 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.039 1.647 9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.727 0.656 11.720 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.902 1.115 12.937 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.204 3.023 11.281 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.954 2.626 12.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.154 4.509 13.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.465 3.436 13.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.979 4.339 11.745 1.00 0.00 H new ATOM 1037 N SER A 71 10.446 0.705 7.840 1.00 0.00 N ATOM 1038 CA SER A 71 11.110 1.141 6.616 1.00 0.00 C ATOM 1039 C SER A 71 11.629 2.568 6.757 1.00 0.00 C ATOM 1040 O SER A 71 12.011 3.200 5.772 1.00 0.00 O ATOM 1041 CB SER A 71 10.149 1.050 5.430 1.00 0.00 C ATOM 1042 OG SER A 71 8.904 0.499 5.823 1.00 0.00 O ATOM 0 H SER A 71 9.628 1.258 8.095 1.00 0.00 H new ATOM 0 HA SER A 71 11.959 0.481 6.438 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.994 2.042 5.007 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.591 0.435 4.646 1.00 0.00 H new ATOM 0 HG SER A 71 8.307 0.453 5.047 1.00 0.00 H new ATOM 1048 N ASP A 72 11.638 3.071 7.987 1.00 0.00 N ATOM 1049 CA ASP A 72 12.110 4.425 8.257 1.00 0.00 C ATOM 1050 C ASP A 72 13.624 4.517 8.094 1.00 0.00 C ATOM 1051 O ASP A 72 14.375 4.295 9.044 1.00 0.00 O ATOM 1052 CB ASP A 72 11.709 4.854 9.670 1.00 0.00 C ATOM 1053 CG ASP A 72 10.429 5.667 9.686 1.00 0.00 C ATOM 1054 OD1 ASP A 72 9.340 5.059 9.625 1.00 0.00 O ATOM 1055 OD2 ASP A 72 10.516 6.910 9.761 1.00 0.00 O ATOM 0 H ASP A 72 11.324 2.562 8.813 1.00 0.00 H new ATOM 0 HA ASP A 72 11.645 5.096 7.535 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.582 3.969 10.293 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.515 5.441 10.111 1.00 0.00 H new ATOM 1060 N GLY A 73 14.064 4.848 6.883 1.00 0.00 N ATOM 1061 CA GLY A 73 15.486 4.965 6.616 1.00 0.00 C ATOM 1062 C GLY A 73 16.221 3.651 6.792 1.00 0.00 C ATOM 1063 O GLY A 73 17.383 3.632 7.198 1.00 0.00 O ATOM 0 H GLY A 73 13.461 5.037 6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.633 5.326 5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.917 5.711 7.284 1.00 0.00 H new ATOM 1067 N ALA A 74 15.542 2.551 6.485 1.00 0.00 N ATOM 1068 CA ALA A 74 16.136 1.225 6.610 1.00 0.00 C ATOM 1069 C ALA A 74 16.798 0.794 5.307 1.00 0.00 C ATOM 1070 O ALA A 74 16.166 0.786 4.251 1.00 0.00 O ATOM 1071 CB ALA A 74 15.080 0.212 7.021 1.00 0.00 C ATOM 0 H ALA A 74 14.579 2.551 6.148 1.00 0.00 H new ATOM 0 HA ALA A 74 16.904 1.271 7.382 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.537 -0.774 7.111 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.651 0.502 7.980 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.293 0.180 6.267 1.00 0.00 H new ATOM 1077 N VAL A 75 18.075 0.434 5.389 1.00 0.00 N ATOM 1078 CA VAL A 75 18.823 -0.001 4.216 1.00 0.00 C ATOM 1079 C VAL A 75 19.582 -1.293 4.496 1.00 0.00 C ATOM 1080 O VAL A 75 20.637 -1.278 5.130 1.00 0.00 O ATOM 1081 CB VAL A 75 19.823 1.075 3.747 1.00 0.00 C ATOM 1082 CG1 VAL A 75 19.925 1.075 2.231 1.00 0.00 C ATOM 1083 CG2 VAL A 75 19.422 2.450 4.261 1.00 0.00 C ATOM 0 H VAL A 75 18.613 0.435 6.256 1.00 0.00 H new ATOM 0 HA VAL A 75 18.092 -0.173 3.426 1.00 0.00 H new ATOM 0 HB VAL A 75 20.803 0.836 4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.634 1.839 1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 75 20.267 0.098 1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 75 18.946 1.287 1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 75 20.143 3.192 3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 75 18.431 2.705 3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 75 19.404 2.440 5.351 1.00 0.00 H new ATOM 1093 N SER A 76 19.039 -2.409 4.021 1.00 0.00 N ATOM 1094 CA SER A 76 19.667 -3.711 4.221 1.00 0.00 C ATOM 1095 C SER A 76 20.308 -4.212 2.931 1.00 0.00 C ATOM 1096 O SER A 76 19.992 -3.731 1.842 1.00 0.00 O ATOM 1097 CB SER A 76 18.636 -4.726 4.721 1.00 0.00 C ATOM 1098 OG SER A 76 17.439 -4.651 3.967 1.00 0.00 O ATOM 0 H SER A 76 18.166 -2.439 3.495 1.00 0.00 H new ATOM 0 HA SER A 76 20.449 -3.597 4.972 1.00 0.00 H new ATOM 0 HB2 SER A 76 19.049 -5.732 4.653 1.00 0.00 H new ATOM 0 HB3 SER A 76 18.419 -4.540 5.773 1.00 0.00 H new ATOM 0 HG SER A 76 16.698 -4.392 4.554 1.00 0.00 H new ATOM 1104 N GLY A 77 21.209 -5.181 3.062 1.00 0.00 N ATOM 1105 CA GLY A 77 21.882 -5.732 1.901 1.00 0.00 C ATOM 1106 C GLY A 77 22.271 -7.185 2.091 1.00 0.00 C ATOM 1107 O GLY A 77 21.967 -7.786 3.122 1.00 0.00 O ATOM 0 H GLY A 77 21.485 -5.594 3.953 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.230 -5.644 1.032 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.776 -5.145 1.690 1.00 0.00 H new ATOM 1111 N ASN A 78 22.945 -7.751 1.095 1.00 0.00 N ATOM 1112 CA ASN A 78 23.376 -9.143 1.156 1.00 0.00 C ATOM 1113 C ASN A 78 24.830 -9.282 0.714 1.00 0.00 C ATOM 1114 O ASN A 78 25.506 -8.288 0.447 1.00 0.00 O ATOM 1115 CB ASN A 78 22.478 -10.016 0.278 1.00 0.00 C ATOM 1116 CG ASN A 78 21.005 -9.794 0.557 1.00 0.00 C ATOM 1117 OD1 ASN A 78 20.302 -9.153 -0.225 1.00 0.00 O ATOM 1118 ND2 ASN A 78 20.528 -10.325 1.677 1.00 0.00 N ATOM 0 H ASN A 78 23.205 -7.267 0.236 1.00 0.00 H new ATOM 0 HA ASN A 78 23.296 -9.477 2.190 1.00 0.00 H new ATOM 0 HB2 ASN A 78 22.682 -9.803 -0.771 1.00 0.00 H new ATOM 0 HB3 ASN A 78 22.722 -11.065 0.443 1.00 0.00 H new ATOM 0 HD21 ASN A 78 19.544 -10.209 1.918 1.00 0.00 H new ATOM 0 HD22 ASN A 78 21.146 -10.849 2.297 1.00 0.00 H new ATOM 1125 N LYS A 79 25.304 -10.522 0.638 1.00 0.00 N ATOM 1126 CA LYS A 79 26.677 -10.793 0.229 1.00 0.00 C ATOM 1127 C LYS A 79 26.895 -10.408 -1.231 1.00 0.00 C ATOM 1128 O LYS A 79 27.842 -9.692 -1.559 1.00 0.00 O ATOM 1129 CB LYS A 79 27.009 -12.273 0.432 1.00 0.00 C ATOM 1130 CG LYS A 79 28.494 -12.544 0.613 1.00 0.00 C ATOM 1131 CD LYS A 79 29.030 -13.457 -0.478 1.00 0.00 C ATOM 1132 CE LYS A 79 29.523 -12.663 -1.677 1.00 0.00 C ATOM 1133 NZ LYS A 79 29.960 -13.551 -2.790 1.00 0.00 N ATOM 0 H LYS A 79 24.757 -11.355 0.855 1.00 0.00 H new ATOM 0 HA LYS A 79 27.340 -10.190 0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 79 26.472 -12.641 1.306 1.00 0.00 H new ATOM 0 HB3 LYS A 79 26.647 -12.839 -0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 79 29.041 -11.601 0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 79 28.666 -13.000 1.588 1.00 0.00 H new ATOM 0 HD2 LYS A 79 29.845 -14.061 -0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 79 28.247 -14.147 -0.794 1.00 0.00 H new ATOM 0 HE2 LYS A 79 28.728 -12.005 -2.028 1.00 0.00 H new ATOM 0 HE3 LYS A 79 30.354 -12.026 -1.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 30.289 -12.971 -3.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 30.736 -14.162 -2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 29.161 -14.141 -3.097 1.00 0.00 H new ATOM 1147 N ARG A 80 26.013 -10.887 -2.102 1.00 0.00 N ATOM 1148 CA ARG A 80 26.108 -10.593 -3.528 1.00 0.00 C ATOM 1149 C ARG A 80 25.095 -9.527 -3.932 1.00 0.00 C ATOM 1150 O ARG A 80 24.043 -9.388 -3.307 1.00 0.00 O ATOM 1151 CB ARG A 80 25.884 -11.864 -4.348 1.00 0.00 C ATOM 1152 CG ARG A 80 24.581 -12.577 -4.023 1.00 0.00 C ATOM 1153 CD ARG A 80 24.659 -14.058 -4.354 1.00 0.00 C ATOM 1154 NE ARG A 80 23.706 -14.438 -5.393 1.00 0.00 N ATOM 1155 CZ ARG A 80 23.230 -15.671 -5.544 1.00 0.00 C ATOM 1156 NH1 ARG A 80 23.618 -16.639 -4.725 1.00 0.00 N ATOM 1157 NH2 ARG A 80 22.366 -15.935 -6.514 1.00 0.00 N ATOM 0 H ARG A 80 25.224 -11.481 -1.846 1.00 0.00 H new ATOM 0 HA ARG A 80 27.109 -10.212 -3.729 1.00 0.00 H new ATOM 0 HB2 ARG A 80 25.894 -11.609 -5.408 1.00 0.00 H new ATOM 0 HB3 ARG A 80 26.715 -12.548 -4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 80 24.350 -12.451 -2.965 1.00 0.00 H new ATOM 0 HG3 ARG A 80 23.765 -12.120 -4.584 1.00 0.00 H new ATOM 0 HD2 ARG A 80 25.669 -14.303 -4.682 1.00 0.00 H new ATOM 0 HD3 ARG A 80 24.465 -14.641 -3.454 1.00 0.00 H new ATOM 0 HE ARG A 80 23.387 -13.717 -6.040 1.00 0.00 H new ATOM 0 HH11 ARG A 80 24.283 -16.439 -3.978 1.00 0.00 H new ATOM 0 HH12 ARG A 80 23.252 -17.584 -4.842 1.00 0.00 H new ATOM 0 HH21 ARG A 80 22.066 -15.192 -7.145 1.00 0.00 H new ATOM 0 HH22 ARG A 80 22.002 -16.881 -6.629 1.00 0.00 H new ATOM 1171 N CYS A 81 25.419 -8.777 -4.980 1.00 0.00 N ATOM 1172 CA CYS A 81 24.538 -7.723 -5.469 1.00 0.00 C ATOM 1173 C CYS A 81 23.982 -8.072 -6.844 1.00 0.00 C ATOM 1174 O CYS A 81 22.769 -8.171 -7.030 1.00 0.00 O ATOM 1175 CB CYS A 81 25.287 -6.391 -5.532 1.00 0.00 C ATOM 1176 SG CYS A 81 24.629 -5.114 -4.410 1.00 0.00 S ATOM 0 H CYS A 81 26.286 -8.880 -5.507 1.00 0.00 H new ATOM 0 HA CYS A 81 23.704 -7.630 -4.773 1.00 0.00 H new ATOM 0 HB2 CYS A 81 26.336 -6.565 -5.292 1.00 0.00 H new ATOM 0 HB3 CYS A 81 25.252 -6.014 -6.554 1.00 0.00 H new ATOM 1181 N ILE A 82 24.880 -8.257 -7.803 1.00 0.00 N ATOM 1182 CA ILE A 82 24.488 -8.595 -9.166 1.00 0.00 C ATOM 1183 C ILE A 82 25.137 -9.900 -9.616 1.00 0.00 C ATOM 1184 O ILE A 82 26.336 -9.945 -9.892 1.00 0.00 O ATOM 1185 CB ILE A 82 24.868 -7.478 -10.158 1.00 0.00 C ATOM 1186 CG1 ILE A 82 25.933 -6.560 -9.553 1.00 0.00 C ATOM 1187 CG2 ILE A 82 23.636 -6.679 -10.554 1.00 0.00 C ATOM 1188 CD1 ILE A 82 26.869 -5.960 -10.580 1.00 0.00 C ATOM 0 H ILE A 82 25.887 -8.179 -7.662 1.00 0.00 H new ATOM 0 HA ILE A 82 23.404 -8.711 -9.162 1.00 0.00 H new ATOM 0 HB ILE A 82 25.283 -7.939 -11.054 1.00 0.00 H new ATOM 0 HG12 ILE A 82 25.440 -5.755 -9.008 1.00 0.00 H new ATOM 0 HG13 ILE A 82 26.518 -7.125 -8.827 1.00 0.00 H new ATOM 0 HG21 ILE A 82 23.921 -5.894 -11.255 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.910 -7.341 -11.026 1.00 0.00 H new ATOM 0 HG23 ILE A 82 23.193 -6.229 -9.666 1.00 0.00 H new ATOM 0 HD11 ILE A 82 27.597 -5.321 -10.080 1.00 0.00 H new ATOM 0 HD12 ILE A 82 27.390 -6.759 -11.108 1.00 0.00 H new ATOM 0 HD13 ILE A 82 26.295 -5.367 -11.293 1.00 0.00 H new ATOM 1200 N LEU A 83 24.336 -10.958 -9.688 1.00 0.00 N ATOM 1201 CA LEU A 83 24.831 -12.265 -10.105 1.00 0.00 C ATOM 1202 C LEU A 83 23.796 -12.991 -10.959 1.00 0.00 C ATOM 1203 O LEU A 83 22.596 -12.743 -10.840 1.00 0.00 O ATOM 1204 CB LEU A 83 25.187 -13.113 -8.883 1.00 0.00 C ATOM 1205 CG LEU A 83 26.303 -14.136 -9.108 1.00 0.00 C ATOM 1206 CD1 LEU A 83 27.628 -13.602 -8.586 1.00 0.00 C ATOM 1207 CD2 LEU A 83 25.956 -15.457 -8.440 1.00 0.00 C ATOM 0 H LEU A 83 23.341 -10.936 -9.463 1.00 0.00 H new ATOM 0 HA LEU A 83 25.728 -12.112 -10.705 1.00 0.00 H new ATOM 0 HB2 LEU A 83 25.483 -12.448 -8.072 1.00 0.00 H new ATOM 0 HB3 LEU A 83 24.292 -13.641 -8.553 1.00 0.00 H new ATOM 0 HG LEU A 83 26.402 -14.310 -10.179 1.00 0.00 H new ATOM 0 HD11 LEU A 83 28.410 -14.342 -8.754 1.00 0.00 H new ATOM 0 HD12 LEU A 83 27.881 -12.681 -9.111 1.00 0.00 H new ATOM 0 HD13 LEU A 83 27.543 -13.400 -7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 83 26.760 -16.173 -8.610 1.00 0.00 H new ATOM 0 HD22 LEU A 83 25.830 -15.301 -7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 83 25.029 -15.846 -8.862 1.00 0.00 H new ATOM 1219 N LEU A 84 24.271 -13.889 -11.818 1.00 0.00 N ATOM 1220 CA LEU A 84 23.391 -14.655 -12.695 1.00 0.00 C ATOM 1221 C LEU A 84 22.519 -13.728 -13.538 1.00 0.00 C ATOM 1222 O LEU A 84 21.334 -13.548 -13.257 1.00 0.00 O ATOM 1223 CB LEU A 84 22.510 -15.599 -11.873 1.00 0.00 C ATOM 1224 CG LEU A 84 22.514 -17.056 -12.339 1.00 0.00 C ATOM 1225 CD1 LEU A 84 23.525 -17.867 -11.543 1.00 0.00 C ATOM 1226 CD2 LEU A 84 21.123 -17.659 -12.212 1.00 0.00 C ATOM 0 H LEU A 84 25.262 -14.104 -11.925 1.00 0.00 H new ATOM 0 HA LEU A 84 24.014 -15.246 -13.366 1.00 0.00 H new ATOM 0 HB2 LEU A 84 22.837 -15.565 -10.834 1.00 0.00 H new ATOM 0 HB3 LEU A 84 21.485 -15.228 -11.897 1.00 0.00 H new ATOM 0 HG LEU A 84 22.805 -17.082 -13.389 1.00 0.00 H new ATOM 0 HD11 LEU A 84 23.514 -18.901 -11.888 1.00 0.00 H new ATOM 0 HD12 LEU A 84 24.521 -17.447 -11.685 1.00 0.00 H new ATOM 0 HD13 LEU A 84 23.265 -17.835 -10.485 1.00 0.00 H new ATOM 0 HD21 LEU A 84 21.144 -18.696 -12.548 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.804 -17.621 -11.170 1.00 0.00 H new ATOM 0 HD23 LEU A 84 20.423 -17.093 -12.827 1.00 0.00 H new ATOM 1238 N GLU A 85 23.115 -13.143 -14.572 1.00 0.00 N ATOM 1239 CA GLU A 85 22.395 -12.234 -15.457 1.00 0.00 C ATOM 1240 C GLU A 85 23.082 -12.139 -16.815 1.00 0.00 C ATOM 1241 O GLU A 85 24.304 -12.251 -16.913 1.00 0.00 O ATOM 1242 CB GLU A 85 22.296 -10.845 -14.825 1.00 0.00 C ATOM 1243 CG GLU A 85 20.922 -10.532 -14.255 1.00 0.00 C ATOM 1244 CD GLU A 85 20.852 -9.155 -13.625 1.00 0.00 C ATOM 1245 OE1 GLU A 85 20.920 -8.156 -14.372 1.00 0.00 O ATOM 1246 OE2 GLU A 85 20.729 -9.075 -12.385 1.00 0.00 O ATOM 0 H GLU A 85 24.095 -13.282 -14.818 1.00 0.00 H new ATOM 0 HA GLU A 85 21.391 -12.631 -15.605 1.00 0.00 H new ATOM 0 HB2 GLU A 85 23.037 -10.763 -14.030 1.00 0.00 H new ATOM 0 HB3 GLU A 85 22.549 -10.095 -15.575 1.00 0.00 H new ATOM 0 HG2 GLU A 85 20.179 -10.602 -15.049 1.00 0.00 H new ATOM 0 HG3 GLU A 85 20.663 -11.283 -13.508 1.00 0.00 H new ATOM 1253 N ASP A 86 22.288 -11.933 -17.861 1.00 0.00 N ATOM 1254 CA ASP A 86 22.818 -11.823 -19.215 1.00 0.00 C ATOM 1255 C ASP A 86 23.603 -10.526 -19.388 1.00 0.00 C ATOM 1256 O ASP A 86 23.389 -9.594 -18.585 1.00 0.00 O ATOM 1257 CB ASP A 86 21.682 -11.886 -20.237 1.00 0.00 C ATOM 1258 CG ASP A 86 20.679 -12.977 -19.921 1.00 0.00 C ATOM 1259 OD1 ASP A 86 20.951 -14.149 -20.257 1.00 0.00 O ATOM 1260 OD2 ASP A 86 19.621 -12.660 -19.337 1.00 0.00 O ATOM 1261 OXT ASP A 86 24.425 -10.454 -20.326 1.00 0.00 O ATOM 0 H ASP A 86 21.274 -11.839 -17.797 1.00 0.00 H new ATOM 0 HA ASP A 86 23.494 -12.661 -19.383 1.00 0.00 H new ATOM 0 HB2 ASP A 86 21.171 -10.924 -20.267 1.00 0.00 H new ATOM 0 HB3 ASP A 86 22.099 -12.056 -21.230 1.00 0.00 H new TER 1266 ASP A 86