USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=15 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 Set 1.1: A 15 GLN : amide:sc= -0.224 X(o=-0.22,f=0) USER MOD Set 1.2: A 78 ASN : amide:sc= 0 X(o=-0.22,f=-0.61) USER MOD Single : A 1 ASP N :NH3+ 134:sc= 0.038 (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 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.641 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -1.1 USER MOD Single : A 35 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.024) USER MOD Single : A 38 GLN : amide:sc= -0.4 X(o=-0.4,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 2:sc= -0.115 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.315 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc=0.000372 USER MOD Single : A 76 SER OG : rot -8:sc= 0.209 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 39.028 -14.360 -26.685 1.00 0.00 N ATOM 2 CA ASP A 1 39.862 -14.218 -25.462 1.00 0.00 C ATOM 3 C ASP A 1 39.010 -13.837 -24.256 1.00 0.00 C ATOM 4 O ASP A 1 37.791 -13.694 -24.365 1.00 0.00 O ATOM 5 CB ASP A 1 40.923 -13.146 -25.719 1.00 0.00 C ATOM 6 CG ASP A 1 42.265 -13.741 -26.102 1.00 0.00 C ATOM 7 OD1 ASP A 1 42.758 -14.618 -25.362 1.00 0.00 O ATOM 8 OD2 ASP A 1 42.820 -13.331 -27.142 1.00 0.00 O ATOM 0 H1 ASP A 1 39.487 -13.868 -27.478 1.00 0.00 H new ATOM 0 H2 ASP A 1 38.922 -15.368 -26.918 1.00 0.00 H new ATOM 0 H3 ASP A 1 38.090 -13.944 -26.516 1.00 0.00 H new ATOM 0 HA ASP A 1 40.338 -15.173 -25.239 1.00 0.00 H new ATOM 0 HB2 ASP A 1 40.582 -12.484 -26.515 1.00 0.00 H new ATOM 0 HB3 ASP A 1 41.042 -12.534 -24.825 1.00 0.00 H new ATOM 15 N TYR A 2 39.661 -13.671 -23.108 1.00 0.00 N ATOM 16 CA TYR A 2 38.970 -13.306 -21.874 1.00 0.00 C ATOM 17 C TYR A 2 37.891 -14.329 -21.527 1.00 0.00 C ATOM 18 O TYR A 2 37.835 -15.410 -22.114 1.00 0.00 O ATOM 19 CB TYR A 2 38.348 -11.914 -22.006 1.00 0.00 C ATOM 20 CG TYR A 2 39.350 -10.788 -21.881 1.00 0.00 C ATOM 21 CD1 TYR A 2 40.191 -10.462 -22.937 1.00 0.00 C ATOM 22 CD2 TYR A 2 39.453 -10.052 -20.707 1.00 0.00 C ATOM 23 CE1 TYR A 2 41.109 -9.433 -22.826 1.00 0.00 C ATOM 24 CE2 TYR A 2 40.367 -9.022 -20.589 1.00 0.00 C ATOM 25 CZ TYR A 2 41.192 -8.717 -21.650 1.00 0.00 C ATOM 26 OH TYR A 2 42.104 -7.693 -21.536 1.00 0.00 O ATOM 0 H TYR A 2 40.670 -13.784 -23.006 1.00 0.00 H new ATOM 0 HA TYR A 2 39.703 -13.294 -21.068 1.00 0.00 H new ATOM 0 HB2 TYR A 2 37.848 -11.839 -22.972 1.00 0.00 H new ATOM 0 HB3 TYR A 2 37.582 -11.794 -21.240 1.00 0.00 H new ATOM 0 HD1 TYR A 2 40.127 -11.020 -23.859 1.00 0.00 H new ATOM 0 HD2 TYR A 2 38.809 -10.289 -19.873 1.00 0.00 H new ATOM 0 HE1 TYR A 2 41.757 -9.192 -23.656 1.00 0.00 H new ATOM 0 HE2 TYR A 2 40.434 -8.459 -19.670 1.00 0.00 H new ATOM 0 HH TYR A 2 42.034 -7.290 -20.646 1.00 0.00 H new ATOM 36 N LYS A 3 37.041 -13.980 -20.568 1.00 0.00 N ATOM 37 CA LYS A 3 35.964 -14.868 -20.140 1.00 0.00 C ATOM 38 C LYS A 3 34.735 -14.703 -21.029 1.00 0.00 C ATOM 39 O LYS A 3 34.806 -14.087 -22.094 1.00 0.00 O ATOM 40 CB LYS A 3 35.595 -14.588 -18.681 1.00 0.00 C ATOM 41 CG LYS A 3 36.674 -14.999 -17.693 1.00 0.00 C ATOM 42 CD LYS A 3 36.401 -14.441 -16.305 1.00 0.00 C ATOM 43 CE LYS A 3 37.005 -15.319 -15.222 1.00 0.00 C ATOM 44 NZ LYS A 3 37.364 -14.537 -14.007 1.00 0.00 N ATOM 0 H LYS A 3 37.076 -13.089 -20.072 1.00 0.00 H new ATOM 0 HA LYS A 3 36.317 -15.895 -20.228 1.00 0.00 H new ATOM 0 HB2 LYS A 3 35.393 -13.523 -18.564 1.00 0.00 H new ATOM 0 HB3 LYS A 3 34.673 -15.116 -18.440 1.00 0.00 H new ATOM 0 HG2 LYS A 3 36.729 -16.087 -17.645 1.00 0.00 H new ATOM 0 HG3 LYS A 3 37.644 -14.646 -18.044 1.00 0.00 H new ATOM 0 HD2 LYS A 3 36.812 -13.434 -16.229 1.00 0.00 H new ATOM 0 HD3 LYS A 3 35.325 -14.359 -16.150 1.00 0.00 H new ATOM 0 HE2 LYS A 3 36.296 -16.102 -14.953 1.00 0.00 H new ATOM 0 HE3 LYS A 3 37.895 -15.814 -15.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 37.773 -15.173 -13.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 38.060 -13.806 -14.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 36.511 -14.085 -13.620 1.00 0.00 H new ATOM 58 N ASP A 4 33.611 -15.257 -20.586 1.00 0.00 N ATOM 59 CA ASP A 4 32.366 -15.173 -21.341 1.00 0.00 C ATOM 60 C ASP A 4 31.919 -13.723 -21.498 1.00 0.00 C ATOM 61 O ASP A 4 31.256 -13.369 -22.474 1.00 0.00 O ATOM 62 CB ASP A 4 31.270 -15.985 -20.649 1.00 0.00 C ATOM 63 CG ASP A 4 30.613 -16.983 -21.581 1.00 0.00 C ATOM 64 OD1 ASP A 4 31.188 -18.074 -21.784 1.00 0.00 O ATOM 65 OD2 ASP A 4 29.524 -16.675 -22.109 1.00 0.00 O ATOM 0 H ASP A 4 33.537 -15.769 -19.707 1.00 0.00 H new ATOM 0 HA ASP A 4 32.544 -15.587 -22.333 1.00 0.00 H new ATOM 0 HB2 ASP A 4 31.697 -16.514 -19.797 1.00 0.00 H new ATOM 0 HB3 ASP A 4 30.513 -15.307 -20.256 1.00 0.00 H new ATOM 70 N ASP A 5 32.285 -12.888 -20.529 1.00 0.00 N ATOM 71 CA ASP A 5 31.919 -11.476 -20.560 1.00 0.00 C ATOM 72 C ASP A 5 33.099 -10.619 -21.005 1.00 0.00 C ATOM 73 O ASP A 5 34.060 -11.120 -21.589 1.00 0.00 O ATOM 74 CB ASP A 5 31.437 -11.023 -19.181 1.00 0.00 C ATOM 75 CG ASP A 5 30.273 -10.054 -19.265 1.00 0.00 C ATOM 76 OD1 ASP A 5 29.274 -10.383 -19.939 1.00 0.00 O ATOM 77 OD2 ASP A 5 30.361 -8.967 -18.657 1.00 0.00 O ATOM 0 H ASP A 5 32.833 -13.164 -19.715 1.00 0.00 H new ATOM 0 HA ASP A 5 31.110 -11.351 -21.280 1.00 0.00 H new ATOM 0 HB2 ASP A 5 31.139 -11.895 -18.599 1.00 0.00 H new ATOM 0 HB3 ASP A 5 32.262 -10.550 -18.648 1.00 0.00 H new ATOM 82 N ASP A 6 33.019 -9.321 -20.725 1.00 0.00 N ATOM 83 CA ASP A 6 34.079 -8.391 -21.096 1.00 0.00 C ATOM 84 C ASP A 6 34.403 -7.448 -19.941 1.00 0.00 C ATOM 85 O ASP A 6 35.546 -7.023 -19.776 1.00 0.00 O ATOM 86 CB ASP A 6 33.670 -7.583 -22.329 1.00 0.00 C ATOM 87 CG ASP A 6 34.701 -7.659 -23.437 1.00 0.00 C ATOM 88 OD1 ASP A 6 34.804 -8.724 -24.080 1.00 0.00 O ATOM 89 OD2 ASP A 6 35.405 -6.651 -23.663 1.00 0.00 O ATOM 0 H ASP A 6 32.230 -8.890 -20.242 1.00 0.00 H new ATOM 0 HA ASP A 6 34.971 -8.971 -21.330 1.00 0.00 H new ATOM 0 HB2 ASP A 6 32.714 -7.951 -22.700 1.00 0.00 H new ATOM 0 HB3 ASP A 6 33.522 -6.541 -22.045 1.00 0.00 H new ATOM 94 N ASP A 7 33.387 -7.128 -19.144 1.00 0.00 N ATOM 95 CA ASP A 7 33.562 -6.237 -18.003 1.00 0.00 C ATOM 96 C ASP A 7 33.803 -7.032 -16.724 1.00 0.00 C ATOM 97 O ASP A 7 33.793 -8.263 -16.736 1.00 0.00 O ATOM 98 CB ASP A 7 32.335 -5.340 -17.837 1.00 0.00 C ATOM 99 CG ASP A 7 32.033 -4.534 -19.087 1.00 0.00 C ATOM 100 OD1 ASP A 7 32.945 -3.837 -19.577 1.00 0.00 O ATOM 101 OD2 ASP A 7 30.885 -4.603 -19.574 1.00 0.00 O ATOM 0 H ASP A 7 32.435 -7.473 -19.268 1.00 0.00 H new ATOM 0 HA ASP A 7 34.436 -5.613 -18.191 1.00 0.00 H new ATOM 0 HB2 ASP A 7 31.470 -5.955 -17.587 1.00 0.00 H new ATOM 0 HB3 ASP A 7 32.496 -4.660 -17.000 1.00 0.00 H new ATOM 106 N LYS A 8 34.016 -6.320 -15.622 1.00 0.00 N ATOM 107 CA LYS A 8 34.259 -6.959 -14.333 1.00 0.00 C ATOM 108 C LYS A 8 32.999 -7.651 -13.824 1.00 0.00 C ATOM 109 O LYS A 8 31.899 -7.403 -14.319 1.00 0.00 O ATOM 110 CB LYS A 8 34.736 -5.928 -13.310 1.00 0.00 C ATOM 111 CG LYS A 8 35.921 -5.103 -13.786 1.00 0.00 C ATOM 112 CD LYS A 8 37.036 -5.080 -12.753 1.00 0.00 C ATOM 113 CE LYS A 8 37.975 -3.905 -12.973 1.00 0.00 C ATOM 114 NZ LYS A 8 38.969 -4.181 -14.046 1.00 0.00 N ATOM 0 H LYS A 8 34.025 -5.300 -15.595 1.00 0.00 H new ATOM 0 HA LYS A 8 35.036 -7.711 -14.469 1.00 0.00 H new ATOM 0 HB2 LYS A 8 33.911 -5.258 -13.069 1.00 0.00 H new ATOM 0 HB3 LYS A 8 35.008 -6.442 -12.388 1.00 0.00 H new ATOM 0 HG2 LYS A 8 36.299 -5.514 -14.722 1.00 0.00 H new ATOM 0 HG3 LYS A 8 35.596 -4.084 -13.994 1.00 0.00 H new ATOM 0 HD2 LYS A 8 36.606 -5.021 -11.753 1.00 0.00 H new ATOM 0 HD3 LYS A 8 37.599 -6.012 -12.803 1.00 0.00 H new ATOM 0 HE2 LYS A 8 37.394 -3.021 -13.235 1.00 0.00 H new ATOM 0 HE3 LYS A 8 38.498 -3.679 -12.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 39.590 -3.355 -14.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 39.541 -5.010 -13.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 38.472 -4.371 -14.939 1.00 0.00 H new ATOM 128 N VAL A 9 33.166 -8.521 -12.833 1.00 0.00 N ATOM 129 CA VAL A 9 32.042 -9.250 -12.256 1.00 0.00 C ATOM 130 C VAL A 9 31.444 -8.492 -11.076 1.00 0.00 C ATOM 131 O VAL A 9 32.053 -7.562 -10.548 1.00 0.00 O ATOM 132 CB VAL A 9 32.465 -10.655 -11.788 1.00 0.00 C ATOM 133 CG1 VAL A 9 32.730 -11.558 -12.983 1.00 0.00 C ATOM 134 CG2 VAL A 9 33.688 -10.576 -10.887 1.00 0.00 C ATOM 0 H VAL A 9 34.070 -8.738 -12.413 1.00 0.00 H new ATOM 0 HA VAL A 9 31.291 -9.347 -13.040 1.00 0.00 H new ATOM 0 HB VAL A 9 31.647 -11.086 -11.210 1.00 0.00 H new ATOM 0 HG11 VAL A 9 33.028 -12.546 -12.633 1.00 0.00 H new ATOM 0 HG12 VAL A 9 31.824 -11.643 -13.583 1.00 0.00 H new ATOM 0 HG13 VAL A 9 33.529 -11.132 -13.591 1.00 0.00 H new ATOM 0 HG21 VAL A 9 33.970 -11.579 -10.568 1.00 0.00 H new ATOM 0 HG22 VAL A 9 34.515 -10.124 -11.435 1.00 0.00 H new ATOM 0 HG23 VAL A 9 33.457 -9.968 -10.012 1.00 0.00 H new ATOM 144 N LYS A 10 30.246 -8.899 -10.665 1.00 0.00 N ATOM 145 CA LYS A 10 29.564 -8.260 -9.546 1.00 0.00 C ATOM 146 C LYS A 10 29.730 -9.077 -8.269 1.00 0.00 C ATOM 147 O LYS A 10 29.374 -10.255 -8.223 1.00 0.00 O ATOM 148 CB LYS A 10 28.077 -8.082 -9.862 1.00 0.00 C ATOM 149 CG LYS A 10 27.732 -6.710 -10.415 1.00 0.00 C ATOM 150 CD LYS A 10 27.528 -5.695 -9.302 1.00 0.00 C ATOM 151 CE LYS A 10 26.566 -4.595 -9.720 1.00 0.00 C ATOM 152 NZ LYS A 10 26.185 -3.725 -8.574 1.00 0.00 N ATOM 0 H LYS A 10 29.729 -9.668 -11.091 1.00 0.00 H new ATOM 0 HA LYS A 10 30.015 -7.280 -9.390 1.00 0.00 H new ATOM 0 HB2 LYS A 10 27.774 -8.842 -10.583 1.00 0.00 H new ATOM 0 HB3 LYS A 10 27.498 -8.255 -8.955 1.00 0.00 H new ATOM 0 HG2 LYS A 10 28.530 -6.372 -11.075 1.00 0.00 H new ATOM 0 HG3 LYS A 10 26.826 -6.777 -11.018 1.00 0.00 H new ATOM 0 HD2 LYS A 10 27.143 -6.199 -8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 10 28.487 -5.256 -9.028 1.00 0.00 H new ATOM 0 HE2 LYS A 10 27.026 -3.988 -10.500 1.00 0.00 H new ATOM 0 HE3 LYS A 10 25.670 -5.041 -10.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 25.528 -2.988 -8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 25.723 -4.300 -7.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 27.037 -3.279 -8.179 1.00 0.00 H new ATOM 166 N LEU A 11 30.273 -8.444 -7.234 1.00 0.00 N ATOM 167 CA LEU A 11 30.488 -9.112 -5.955 1.00 0.00 C ATOM 168 C LEU A 11 29.865 -8.315 -4.813 1.00 0.00 C ATOM 169 O LEU A 11 29.959 -8.704 -3.648 1.00 0.00 O ATOM 170 CB LEU A 11 31.984 -9.305 -5.701 1.00 0.00 C ATOM 171 CG LEU A 11 32.835 -8.045 -5.859 1.00 0.00 C ATOM 172 CD1 LEU A 11 33.296 -7.540 -4.500 1.00 0.00 C ATOM 173 CD2 LEU A 11 34.028 -8.316 -6.764 1.00 0.00 C ATOM 0 H LEU A 11 30.572 -7.469 -7.256 1.00 0.00 H new ATOM 0 HA LEU A 11 30.005 -10.088 -5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 11 32.119 -9.692 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 11 32.358 -10.066 -6.386 1.00 0.00 H new ATOM 0 HG LEU A 11 32.223 -7.271 -6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 11 33.901 -6.643 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 11 32.427 -7.305 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 11 33.891 -8.310 -4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 11 34.622 -7.408 -6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 11 34.642 -9.105 -6.330 1.00 0.00 H new ATOM 0 HD23 LEU A 11 33.675 -8.630 -7.747 1.00 0.00 H new ATOM 185 N THR A 12 29.230 -7.198 -5.155 1.00 0.00 N ATOM 186 CA THR A 12 28.593 -6.345 -4.159 1.00 0.00 C ATOM 187 C THR A 12 27.205 -5.910 -4.615 1.00 0.00 C ATOM 188 O THR A 12 27.053 -5.284 -5.664 1.00 0.00 O ATOM 189 CB THR A 12 29.440 -5.094 -3.864 1.00 0.00 C ATOM 190 OG1 THR A 12 30.580 -5.057 -4.732 1.00 0.00 O ATOM 191 CG2 THR A 12 29.900 -5.080 -2.415 1.00 0.00 C ATOM 0 H THR A 12 29.143 -6.863 -6.115 1.00 0.00 H new ATOM 0 HA THR A 12 28.505 -6.936 -3.248 1.00 0.00 H new ATOM 0 HB THR A 12 28.821 -4.215 -4.040 1.00 0.00 H new ATOM 0 HG1 THR A 12 31.112 -4.257 -4.539 1.00 0.00 H new ATOM 0 HG21 THR A 12 30.497 -4.186 -2.231 1.00 0.00 H new ATOM 0 HG22 THR A 12 29.031 -5.078 -1.757 1.00 0.00 H new ATOM 0 HG23 THR A 12 30.503 -5.966 -2.216 1.00 0.00 H new ATOM 199 N CYS A 13 26.194 -6.244 -3.819 1.00 0.00 N ATOM 200 CA CYS A 13 24.816 -5.888 -4.141 1.00 0.00 C ATOM 201 C CYS A 13 24.083 -5.381 -2.904 1.00 0.00 C ATOM 202 O CYS A 13 24.483 -5.662 -1.773 1.00 0.00 O ATOM 203 CB CYS A 13 24.078 -7.094 -4.726 1.00 0.00 C ATOM 204 SG CYS A 13 22.666 -6.657 -5.792 1.00 0.00 S ATOM 0 H CYS A 13 26.303 -6.761 -2.946 1.00 0.00 H new ATOM 0 HA CYS A 13 24.837 -5.089 -4.883 1.00 0.00 H new ATOM 0 HB2 CYS A 13 24.783 -7.693 -5.302 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.722 -7.720 -3.908 1.00 0.00 H new ATOM 209 N TYR A 14 23.008 -4.631 -3.124 1.00 0.00 N ATOM 210 CA TYR A 14 22.218 -4.084 -2.028 1.00 0.00 C ATOM 211 C TYR A 14 20.757 -4.507 -2.145 1.00 0.00 C ATOM 212 O TYR A 14 20.351 -5.100 -3.145 1.00 0.00 O ATOM 213 CB TYR A 14 22.320 -2.558 -2.007 1.00 0.00 C ATOM 214 CG TYR A 14 21.930 -1.905 -3.315 1.00 0.00 C ATOM 215 CD1 TYR A 14 22.867 -1.707 -4.322 1.00 0.00 C ATOM 216 CD2 TYR A 14 20.626 -1.483 -3.541 1.00 0.00 C ATOM 217 CE1 TYR A 14 22.515 -1.110 -5.517 1.00 0.00 C ATOM 218 CE2 TYR A 14 20.265 -0.887 -4.734 1.00 0.00 C ATOM 219 CZ TYR A 14 21.213 -0.702 -5.718 1.00 0.00 C ATOM 220 OH TYR A 14 20.859 -0.107 -6.908 1.00 0.00 O ATOM 0 H TYR A 14 22.664 -4.388 -4.053 1.00 0.00 H new ATOM 0 HA TYR A 14 22.618 -4.479 -1.094 1.00 0.00 H new ATOM 0 HB2 TYR A 14 21.681 -2.171 -1.213 1.00 0.00 H new ATOM 0 HB3 TYR A 14 23.343 -2.274 -1.760 1.00 0.00 H new ATOM 0 HD1 TYR A 14 23.887 -2.025 -4.168 1.00 0.00 H new ATOM 0 HD2 TYR A 14 19.882 -1.623 -2.771 1.00 0.00 H new ATOM 0 HE1 TYR A 14 23.255 -0.964 -6.290 1.00 0.00 H new ATOM 0 HE2 TYR A 14 19.246 -0.568 -4.895 1.00 0.00 H new ATOM 0 HH TYR A 14 19.906 0.120 -6.890 1.00 0.00 H new ATOM 230 N GLN A 15 19.972 -4.198 -1.118 1.00 0.00 N ATOM 231 CA GLN A 15 18.555 -4.545 -1.106 1.00 0.00 C ATOM 232 C GLN A 15 17.799 -3.711 -0.076 1.00 0.00 C ATOM 233 O GLN A 15 18.306 -3.442 1.013 1.00 0.00 O ATOM 234 CB GLN A 15 18.377 -6.034 -0.804 1.00 0.00 C ATOM 235 CG GLN A 15 17.003 -6.569 -1.175 1.00 0.00 C ATOM 236 CD GLN A 15 17.034 -7.457 -2.403 1.00 0.00 C ATOM 237 OE1 GLN A 15 17.541 -8.577 -2.360 1.00 0.00 O ATOM 238 NE2 GLN A 15 16.491 -6.958 -3.508 1.00 0.00 N ATOM 0 H GLN A 15 20.293 -3.708 -0.283 1.00 0.00 H new ATOM 0 HA GLN A 15 18.145 -4.329 -2.093 1.00 0.00 H new ATOM 0 HB2 GLN A 15 19.136 -6.599 -1.345 1.00 0.00 H new ATOM 0 HB3 GLN A 15 18.549 -6.204 0.259 1.00 0.00 H new ATOM 0 HG2 GLN A 15 16.598 -7.132 -0.334 1.00 0.00 H new ATOM 0 HG3 GLN A 15 16.328 -5.732 -1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 15 16.081 -6.024 -3.498 1.00 0.00 H new ATOM 0 HE22 GLN A 15 16.484 -7.509 -4.366 1.00 0.00 H new ATOM 247 N ASN A 16 16.583 -3.308 -0.428 1.00 0.00 N ATOM 248 CA ASN A 16 15.754 -2.506 0.466 1.00 0.00 C ATOM 249 C ASN A 16 14.977 -3.397 1.430 1.00 0.00 C ATOM 250 O ASN A 16 13.745 -3.383 1.450 1.00 0.00 O ATOM 251 CB ASN A 16 14.788 -1.638 -0.343 1.00 0.00 C ATOM 252 CG ASN A 16 15.408 -0.322 -0.767 1.00 0.00 C ATOM 253 OD1 ASN A 16 16.191 -0.268 -1.715 1.00 0.00 O ATOM 254 ND2 ASN A 16 15.061 0.749 -0.064 1.00 0.00 N ATOM 0 H ASN A 16 16.149 -3.523 -1.326 1.00 0.00 H new ATOM 0 HA ASN A 16 16.409 -1.858 1.049 1.00 0.00 H new ATOM 0 HB2 ASN A 16 14.466 -2.186 -1.228 1.00 0.00 H new ATOM 0 HB3 ASN A 16 13.896 -1.441 0.252 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.447 1.663 -0.302 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.408 0.659 0.715 1.00 0.00 H new ATOM 261 N GLY A 17 15.705 -4.170 2.230 1.00 0.00 N ATOM 262 CA GLY A 17 15.068 -5.057 3.186 1.00 0.00 C ATOM 263 C GLY A 17 14.660 -4.342 4.458 1.00 0.00 C ATOM 264 O GLY A 17 14.220 -4.977 5.416 1.00 0.00 O ATOM 0 H GLY A 17 16.725 -4.198 2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.188 -5.508 2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.750 -5.870 3.433 1.00 0.00 H new ATOM 268 N VAL A 18 14.807 -3.016 4.460 1.00 0.00 N ATOM 269 CA VAL A 18 14.455 -2.189 5.616 1.00 0.00 C ATOM 270 C VAL A 18 15.114 -2.700 6.898 1.00 0.00 C ATOM 271 O VAL A 18 15.877 -3.666 6.876 1.00 0.00 O ATOM 272 CB VAL A 18 12.921 -2.103 5.811 1.00 0.00 C ATOM 273 CG1 VAL A 18 12.210 -2.146 4.467 1.00 0.00 C ATOM 274 CG2 VAL A 18 12.409 -3.208 6.724 1.00 0.00 C ATOM 0 H VAL A 18 15.171 -2.488 3.667 1.00 0.00 H new ATOM 0 HA VAL A 18 14.834 -1.188 5.409 1.00 0.00 H new ATOM 0 HB VAL A 18 12.701 -1.150 6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.133 -2.085 4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.537 -1.305 3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.450 -3.079 3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.329 -3.115 6.837 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.646 -4.179 6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.885 -3.122 7.701 1.00 0.00 H new ATOM 284 N SER A 19 14.813 -2.042 8.015 1.00 0.00 N ATOM 285 CA SER A 19 15.375 -2.429 9.304 1.00 0.00 C ATOM 286 C SER A 19 14.954 -3.848 9.671 1.00 0.00 C ATOM 287 O SER A 19 13.783 -4.208 9.549 1.00 0.00 O ATOM 288 CB SER A 19 14.927 -1.452 10.393 1.00 0.00 C ATOM 289 OG SER A 19 15.300 -1.916 11.679 1.00 0.00 O ATOM 0 H SER A 19 14.184 -1.240 8.052 1.00 0.00 H new ATOM 0 HA SER A 19 16.462 -2.399 9.226 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.371 -0.473 10.213 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.845 -1.324 10.349 1.00 0.00 H new ATOM 0 HG SER A 19 15.004 -1.273 12.357 1.00 0.00 H new ATOM 295 N PHE A 20 15.914 -4.650 10.117 1.00 0.00 N ATOM 296 CA PHE A 20 15.639 -6.031 10.497 1.00 0.00 C ATOM 297 C PHE A 20 15.558 -6.178 12.012 1.00 0.00 C ATOM 298 O PHE A 20 16.094 -5.357 12.756 1.00 0.00 O ATOM 299 CB PHE A 20 16.717 -6.962 9.938 1.00 0.00 C ATOM 300 CG PHE A 20 16.386 -7.525 8.585 1.00 0.00 C ATOM 301 CD1 PHE A 20 15.082 -7.858 8.254 1.00 0.00 C ATOM 302 CD2 PHE A 20 17.382 -7.724 7.642 1.00 0.00 C ATOM 303 CE1 PHE A 20 14.778 -8.377 7.011 1.00 0.00 C ATOM 304 CE2 PHE A 20 17.084 -8.243 6.397 1.00 0.00 C ATOM 305 CZ PHE A 20 15.781 -8.570 6.080 1.00 0.00 C ATOM 0 H PHE A 20 16.888 -4.368 10.224 1.00 0.00 H new ATOM 0 HA PHE A 20 14.674 -6.309 10.074 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.658 -6.416 9.874 1.00 0.00 H new ATOM 0 HB3 PHE A 20 16.872 -7.785 10.636 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.294 -7.710 8.977 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.404 -7.470 7.884 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.757 -8.632 6.767 1.00 0.00 H new ATOM 0 HE2 PHE A 20 17.870 -8.393 5.672 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.546 -8.976 5.107 1.00 0.00 H new ATOM 315 N THR A 21 14.884 -7.234 12.460 1.00 0.00 N ATOM 316 CA THR A 21 14.733 -7.492 13.887 1.00 0.00 C ATOM 317 C THR A 21 14.269 -8.921 14.141 1.00 0.00 C ATOM 318 O THR A 21 13.909 -9.643 13.212 1.00 0.00 O ATOM 319 CB THR A 21 13.731 -6.516 14.532 1.00 0.00 C ATOM 320 OG1 THR A 21 13.411 -6.940 15.864 1.00 0.00 O ATOM 321 CG2 THR A 21 12.456 -6.422 13.707 1.00 0.00 C ATOM 0 H THR A 21 14.435 -7.923 11.856 1.00 0.00 H new ATOM 0 HA THR A 21 15.714 -7.345 14.340 1.00 0.00 H new ATOM 0 HB THR A 21 14.197 -5.531 14.568 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.775 -6.311 16.264 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.765 -5.727 14.183 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.696 -6.066 12.705 1.00 0.00 H new ATOM 0 HG23 THR A 21 11.992 -7.406 13.640 1.00 0.00 H new ATOM 329 N GLY A 22 14.281 -9.323 15.408 1.00 0.00 N ATOM 330 CA GLY A 22 13.860 -10.665 15.768 1.00 0.00 C ATOM 331 C GLY A 22 14.980 -11.678 15.642 1.00 0.00 C ATOM 332 O GLY A 22 15.131 -12.556 16.493 1.00 0.00 O ATOM 0 H GLY A 22 14.575 -8.742 16.193 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.490 -10.663 16.793 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.029 -10.965 15.129 1.00 0.00 H new ATOM 336 N GLY A 23 15.767 -11.558 14.576 1.00 0.00 N ATOM 337 CA GLY A 23 16.869 -12.477 14.360 1.00 0.00 C ATOM 338 C GLY A 23 18.001 -12.269 15.346 1.00 0.00 C ATOM 339 O GLY A 23 17.942 -11.374 16.190 1.00 0.00 O ATOM 0 H GLY A 23 15.660 -10.841 13.859 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.505 -13.501 14.441 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.248 -12.353 13.346 1.00 0.00 H new ATOM 343 N LYS A 24 19.035 -13.099 15.241 1.00 0.00 N ATOM 344 CA LYS A 24 20.186 -13.004 16.131 1.00 0.00 C ATOM 345 C LYS A 24 21.406 -12.466 15.390 1.00 0.00 C ATOM 346 O LYS A 24 22.203 -13.233 14.849 1.00 0.00 O ATOM 347 CB LYS A 24 20.505 -14.372 16.737 1.00 0.00 C ATOM 348 CG LYS A 24 19.986 -14.547 18.154 1.00 0.00 C ATOM 349 CD LYS A 24 21.024 -14.132 19.184 1.00 0.00 C ATOM 350 CE LYS A 24 20.935 -14.982 20.440 1.00 0.00 C ATOM 351 NZ LYS A 24 21.693 -14.384 21.572 1.00 0.00 N ATOM 0 H LYS A 24 19.099 -13.845 14.548 1.00 0.00 H new ATOM 0 HA LYS A 24 19.935 -12.309 16.933 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.077 -15.149 16.104 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.585 -14.518 16.734 1.00 0.00 H new ATOM 0 HG2 LYS A 24 19.082 -13.953 18.287 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.709 -15.589 18.315 1.00 0.00 H new ATOM 0 HD2 LYS A 24 22.021 -14.221 18.753 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.882 -13.083 19.443 1.00 0.00 H new ATOM 0 HE2 LYS A 24 19.890 -15.099 20.725 1.00 0.00 H new ATOM 0 HE3 LYS A 24 21.322 -15.979 20.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 21.606 -14.995 22.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 22.696 -14.296 21.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 21.308 -13.443 21.789 1.00 0.00 H new ATOM 365 N ALA A 25 21.546 -11.143 15.370 1.00 0.00 N ATOM 366 CA ALA A 25 22.669 -10.503 14.696 1.00 0.00 C ATOM 367 C ALA A 25 23.994 -10.907 15.334 1.00 0.00 C ATOM 368 O ALA A 25 24.217 -10.671 16.522 1.00 0.00 O ATOM 369 CB ALA A 25 22.510 -8.990 14.726 1.00 0.00 C ATOM 0 H ALA A 25 20.895 -10.495 15.813 1.00 0.00 H new ATOM 0 HA ALA A 25 22.676 -10.838 13.659 1.00 0.00 H new ATOM 0 HB1 ALA A 25 23.356 -8.525 14.219 1.00 0.00 H new ATOM 0 HB2 ALA A 25 21.586 -8.711 14.220 1.00 0.00 H new ATOM 0 HB3 ALA A 25 22.475 -8.648 15.760 1.00 0.00 H new ATOM 375 N ILE A 26 24.872 -11.509 14.538 1.00 0.00 N ATOM 376 CA ILE A 26 26.178 -11.934 15.030 1.00 0.00 C ATOM 377 C ILE A 26 27.011 -10.724 15.432 1.00 0.00 C ATOM 378 O ILE A 26 27.967 -10.835 16.199 1.00 0.00 O ATOM 379 CB ILE A 26 26.948 -12.748 13.971 1.00 0.00 C ATOM 380 CG1 ILE A 26 27.195 -11.899 12.720 1.00 0.00 C ATOM 381 CG2 ILE A 26 26.181 -14.012 13.615 1.00 0.00 C ATOM 382 CD1 ILE A 26 28.605 -11.359 12.623 1.00 0.00 C ATOM 0 H ILE A 26 24.704 -11.713 13.553 1.00 0.00 H new ATOM 0 HA ILE A 26 26.005 -12.571 15.898 1.00 0.00 H new ATOM 0 HB ILE A 26 27.913 -13.036 14.388 1.00 0.00 H new ATOM 0 HG12 ILE A 26 26.983 -12.500 11.836 1.00 0.00 H new ATOM 0 HG13 ILE A 26 26.494 -11.064 12.713 1.00 0.00 H new ATOM 0 HG21 ILE A 26 26.737 -14.576 12.866 1.00 0.00 H new ATOM 0 HG22 ILE A 26 26.052 -14.623 14.508 1.00 0.00 H new ATOM 0 HG23 ILE A 26 25.203 -13.744 13.215 1.00 0.00 H new ATOM 0 HD11 ILE A 26 28.706 -10.768 11.713 1.00 0.00 H new ATOM 0 HD12 ILE A 26 28.814 -10.731 13.489 1.00 0.00 H new ATOM 0 HD13 ILE A 26 29.311 -12.189 12.597 1.00 0.00 H new ATOM 394 N SER A 27 26.629 -9.569 14.901 1.00 0.00 N ATOM 395 CA SER A 27 27.318 -8.319 15.186 1.00 0.00 C ATOM 396 C SER A 27 26.501 -7.144 14.671 1.00 0.00 C ATOM 397 O SER A 27 25.646 -7.307 13.804 1.00 0.00 O ATOM 398 CB SER A 27 28.706 -8.319 14.546 1.00 0.00 C ATOM 399 OG SER A 27 29.439 -7.164 14.915 1.00 0.00 O ATOM 0 H SER A 27 25.838 -9.474 14.265 1.00 0.00 H new ATOM 0 HA SER A 27 27.434 -8.221 16.265 1.00 0.00 H new ATOM 0 HB2 SER A 27 29.251 -9.212 14.852 1.00 0.00 H new ATOM 0 HB3 SER A 27 28.609 -8.361 13.461 1.00 0.00 H new ATOM 0 HG SER A 27 30.323 -7.189 14.494 1.00 0.00 H new ATOM 405 N GLU A 28 26.757 -5.961 15.216 1.00 0.00 N ATOM 406 CA GLU A 28 26.032 -4.764 14.811 1.00 0.00 C ATOM 407 C GLU A 28 26.807 -3.507 15.186 1.00 0.00 C ATOM 408 O GLU A 28 27.457 -3.455 16.230 1.00 0.00 O ATOM 409 CB GLU A 28 24.643 -4.735 15.453 1.00 0.00 C ATOM 410 CG GLU A 28 24.480 -5.696 16.618 1.00 0.00 C ATOM 411 CD GLU A 28 25.122 -5.185 17.894 1.00 0.00 C ATOM 412 OE1 GLU A 28 24.593 -4.216 18.477 1.00 0.00 O ATOM 413 OE2 GLU A 28 26.154 -5.753 18.308 1.00 0.00 O ATOM 0 H GLU A 28 27.460 -5.805 15.938 1.00 0.00 H new ATOM 0 HA GLU A 28 25.919 -4.790 13.727 1.00 0.00 H new ATOM 0 HB2 GLU A 28 24.435 -3.722 15.799 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.898 -4.972 14.693 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.418 -5.869 16.795 1.00 0.00 H new ATOM 0 HG3 GLU A 28 24.920 -6.658 16.355 1.00 0.00 H new ATOM 420 N ALA A 29 26.737 -2.494 14.326 1.00 0.00 N ATOM 421 CA ALA A 29 27.436 -1.238 14.570 1.00 0.00 C ATOM 422 C ALA A 29 26.513 -0.044 14.360 1.00 0.00 C ATOM 423 O ALA A 29 26.127 0.262 13.232 1.00 0.00 O ATOM 424 CB ALA A 29 28.655 -1.131 13.668 1.00 0.00 C ATOM 0 H ALA A 29 26.204 -2.519 13.456 1.00 0.00 H new ATOM 0 HA ALA A 29 27.764 -1.229 15.610 1.00 0.00 H new ATOM 0 HB1 ALA A 29 29.168 -0.189 13.860 1.00 0.00 H new ATOM 0 HB2 ALA A 29 29.332 -1.961 13.871 1.00 0.00 H new ATOM 0 HB3 ALA A 29 28.340 -1.167 12.625 1.00 0.00 H new ATOM 430 N LYS A 30 26.168 0.631 15.453 1.00 0.00 N ATOM 431 CA LYS A 30 25.293 1.797 15.389 1.00 0.00 C ATOM 432 C LYS A 30 25.912 2.889 14.522 1.00 0.00 C ATOM 433 O LYS A 30 26.733 3.678 14.991 1.00 0.00 O ATOM 434 CB LYS A 30 25.024 2.337 16.796 1.00 0.00 C ATOM 435 CG LYS A 30 24.644 1.261 17.799 1.00 0.00 C ATOM 436 CD LYS A 30 24.062 1.863 19.067 1.00 0.00 C ATOM 437 CE LYS A 30 24.766 1.337 20.308 1.00 0.00 C ATOM 438 NZ LYS A 30 24.608 2.257 21.469 1.00 0.00 N ATOM 0 H LYS A 30 26.481 0.390 16.393 1.00 0.00 H new ATOM 0 HA LYS A 30 24.348 1.490 14.940 1.00 0.00 H new ATOM 0 HB2 LYS A 30 25.913 2.856 17.153 1.00 0.00 H new ATOM 0 HB3 LYS A 30 24.223 3.074 16.746 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.918 0.584 17.350 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.523 0.667 18.047 1.00 0.00 H new ATOM 0 HD2 LYS A 30 24.151 2.949 19.030 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.998 1.632 19.126 1.00 0.00 H new ATOM 0 HE2 LYS A 30 24.365 0.357 20.565 1.00 0.00 H new ATOM 0 HE3 LYS A 30 25.826 1.202 20.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 25.102 1.862 22.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 25.014 3.185 21.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 23.598 2.367 21.690 1.00 0.00 H new ATOM 452 N ALA A 31 25.516 2.925 13.254 1.00 0.00 N ATOM 453 CA ALA A 31 26.034 3.916 12.319 1.00 0.00 C ATOM 454 C ALA A 31 24.903 4.672 11.633 1.00 0.00 C ATOM 455 O ALA A 31 23.893 4.084 11.247 1.00 0.00 O ATOM 456 CB ALA A 31 26.925 3.245 11.284 1.00 0.00 C ATOM 0 H ALA A 31 24.838 2.279 12.851 1.00 0.00 H new ATOM 0 HA ALA A 31 26.625 4.637 12.883 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.306 3.995 10.591 1.00 0.00 H new ATOM 0 HB2 ALA A 31 27.760 2.756 11.785 1.00 0.00 H new ATOM 0 HB3 ALA A 31 26.348 2.502 10.733 1.00 0.00 H new ATOM 462 N ALA A 32 25.080 5.981 11.484 1.00 0.00 N ATOM 463 CA ALA A 32 24.077 6.820 10.840 1.00 0.00 C ATOM 464 C ALA A 32 24.125 6.661 9.324 1.00 0.00 C ATOM 465 O ALA A 32 23.232 7.120 8.612 1.00 0.00 O ATOM 466 CB ALA A 32 24.281 8.277 11.227 1.00 0.00 C ATOM 0 H ALA A 32 25.909 6.483 11.801 1.00 0.00 H new ATOM 0 HA ALA A 32 23.093 6.500 11.183 1.00 0.00 H new ATOM 0 HB1 ALA A 32 23.525 8.892 10.739 1.00 0.00 H new ATOM 0 HB2 ALA A 32 24.192 8.382 12.308 1.00 0.00 H new ATOM 0 HB3 ALA A 32 25.272 8.602 10.911 1.00 0.00 H new ATOM 472 N SER A 33 25.174 6.005 8.840 1.00 0.00 N ATOM 473 CA SER A 33 25.344 5.779 7.409 1.00 0.00 C ATOM 474 C SER A 33 25.797 4.349 7.137 1.00 0.00 C ATOM 475 O SER A 33 26.636 3.807 7.857 1.00 0.00 O ATOM 476 CB SER A 33 26.359 6.768 6.832 1.00 0.00 C ATOM 477 OG SER A 33 25.720 7.940 6.361 1.00 0.00 O ATOM 0 H SER A 33 25.921 5.620 9.419 1.00 0.00 H new ATOM 0 HA SER A 33 24.381 5.935 6.923 1.00 0.00 H new ATOM 0 HB2 SER A 33 27.090 7.031 7.597 1.00 0.00 H new ATOM 0 HB3 SER A 33 26.907 6.296 6.016 1.00 0.00 H new ATOM 0 HG SER A 33 26.391 8.556 5.999 1.00 0.00 H new ATOM 483 N SER A 34 25.236 3.743 6.096 1.00 0.00 N ATOM 484 CA SER A 34 25.579 2.375 5.729 1.00 0.00 C ATOM 485 C SER A 34 27.067 2.247 5.425 1.00 0.00 C ATOM 486 O SER A 34 27.665 1.193 5.646 1.00 0.00 O ATOM 487 CB SER A 34 24.765 1.931 4.517 1.00 0.00 C ATOM 488 OG SER A 34 23.498 2.567 4.491 1.00 0.00 O ATOM 0 H SER A 34 24.540 4.179 5.491 1.00 0.00 H new ATOM 0 HA SER A 34 25.342 1.731 6.576 1.00 0.00 H new ATOM 0 HB2 SER A 34 25.311 2.165 3.603 1.00 0.00 H new ATOM 0 HB3 SER A 34 24.632 0.849 4.541 1.00 0.00 H new ATOM 0 HG SER A 34 23.276 2.817 3.570 1.00 0.00 H new ATOM 494 N GLN A 35 27.656 3.324 4.915 1.00 0.00 N ATOM 495 CA GLN A 35 29.075 3.335 4.578 1.00 0.00 C ATOM 496 C GLN A 35 29.912 2.846 5.756 1.00 0.00 C ATOM 497 O GLN A 35 30.858 2.076 5.584 1.00 0.00 O ATOM 498 CB GLN A 35 29.505 4.746 4.165 1.00 0.00 C ATOM 499 CG GLN A 35 30.991 5.019 4.352 1.00 0.00 C ATOM 500 CD GLN A 35 31.277 5.868 5.576 1.00 0.00 C ATOM 501 OE1 GLN A 35 30.959 7.057 5.609 1.00 0.00 O ATOM 502 NE2 GLN A 35 31.879 5.260 6.591 1.00 0.00 N ATOM 0 H GLN A 35 27.172 4.202 4.726 1.00 0.00 H new ATOM 0 HA GLN A 35 29.239 2.658 3.740 1.00 0.00 H new ATOM 0 HB2 GLN A 35 29.246 4.902 3.118 1.00 0.00 H new ATOM 0 HB3 GLN A 35 28.936 5.473 4.745 1.00 0.00 H new ATOM 0 HG2 GLN A 35 31.523 4.072 4.439 1.00 0.00 H new ATOM 0 HG3 GLN A 35 31.379 5.522 3.466 1.00 0.00 H new ATOM 0 HE21 GLN A 35 32.125 4.273 6.521 1.00 0.00 H new ATOM 0 HE22 GLN A 35 32.096 5.780 7.441 1.00 0.00 H new ATOM 511 N ALA A 36 29.547 3.290 6.954 1.00 0.00 N ATOM 512 CA ALA A 36 30.254 2.891 8.163 1.00 0.00 C ATOM 513 C ALA A 36 30.036 1.410 8.445 1.00 0.00 C ATOM 514 O ALA A 36 30.943 0.714 8.901 1.00 0.00 O ATOM 515 CB ALA A 36 29.799 3.732 9.346 1.00 0.00 C ATOM 0 H ALA A 36 28.766 3.926 7.113 1.00 0.00 H new ATOM 0 HA ALA A 36 31.320 3.058 8.011 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.337 3.421 10.242 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.005 4.783 9.146 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.729 3.595 9.500 1.00 0.00 H new ATOM 521 N CYS A 37 28.828 0.935 8.157 1.00 0.00 N ATOM 522 CA CYS A 37 28.491 -0.467 8.367 1.00 0.00 C ATOM 523 C CYS A 37 29.206 -1.341 7.343 1.00 0.00 C ATOM 524 O CYS A 37 29.402 -2.536 7.559 1.00 0.00 O ATOM 525 CB CYS A 37 26.977 -0.673 8.266 1.00 0.00 C ATOM 526 SG CYS A 37 26.463 -2.422 8.268 1.00 0.00 S ATOM 0 H CYS A 37 28.068 1.500 7.778 1.00 0.00 H new ATOM 0 HA CYS A 37 28.818 -0.755 9.366 1.00 0.00 H new ATOM 0 HB2 CYS A 37 26.495 -0.163 9.100 1.00 0.00 H new ATOM 0 HB3 CYS A 37 26.617 -0.200 7.352 1.00 0.00 H new ATOM 531 N GLN A 38 29.598 -0.729 6.229 1.00 0.00 N ATOM 532 CA GLN A 38 30.299 -1.443 5.170 1.00 0.00 C ATOM 533 C GLN A 38 31.731 -1.750 5.590 1.00 0.00 C ATOM 534 O GLN A 38 32.197 -2.881 5.460 1.00 0.00 O ATOM 535 CB GLN A 38 30.296 -0.621 3.880 1.00 0.00 C ATOM 536 CG GLN A 38 28.916 -0.460 3.264 1.00 0.00 C ATOM 537 CD GLN A 38 28.597 -1.549 2.257 1.00 0.00 C ATOM 538 OE1 GLN A 38 28.578 -1.308 1.050 1.00 0.00 O ATOM 539 NE2 GLN A 38 28.343 -2.755 2.752 1.00 0.00 N ATOM 0 H GLN A 38 29.441 0.261 6.038 1.00 0.00 H new ATOM 0 HA GLN A 38 29.779 -2.384 4.989 1.00 0.00 H new ATOM 0 HB2 GLN A 38 30.710 0.366 4.087 1.00 0.00 H new ATOM 0 HB3 GLN A 38 30.955 -1.097 3.154 1.00 0.00 H new ATOM 0 HG2 GLN A 38 28.166 -0.470 4.055 1.00 0.00 H new ATOM 0 HG3 GLN A 38 28.851 0.512 2.775 1.00 0.00 H new ATOM 0 HE21 GLN A 38 28.370 -2.909 3.760 1.00 0.00 H new ATOM 0 HE22 GLN A 38 28.121 -3.528 2.124 1.00 0.00 H new ATOM 548 N GLU A 39 32.422 -0.734 6.101 1.00 0.00 N ATOM 549 CA GLU A 39 33.798 -0.899 6.549 1.00 0.00 C ATOM 550 C GLU A 39 33.855 -1.795 7.780 1.00 0.00 C ATOM 551 O GLU A 39 34.772 -2.601 7.936 1.00 0.00 O ATOM 552 CB GLU A 39 34.424 0.462 6.861 1.00 0.00 C ATOM 553 CG GLU A 39 35.025 1.149 5.646 1.00 0.00 C ATOM 554 CD GLU A 39 36.467 0.747 5.404 1.00 0.00 C ATOM 555 OE1 GLU A 39 36.741 -0.469 5.339 1.00 0.00 O ATOM 556 OE2 GLU A 39 37.321 1.650 5.277 1.00 0.00 O ATOM 0 H GLU A 39 32.051 0.209 6.214 1.00 0.00 H new ATOM 0 HA GLU A 39 34.365 -1.371 5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 39 33.664 1.111 7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 39 35.200 0.331 7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 39 34.431 0.906 4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 39 34.970 2.229 5.780 1.00 0.00 H new ATOM 563 N LEU A 40 32.858 -1.651 8.646 1.00 0.00 N ATOM 564 CA LEU A 40 32.777 -2.449 9.864 1.00 0.00 C ATOM 565 C LEU A 40 32.566 -3.921 9.520 1.00 0.00 C ATOM 566 O LEU A 40 33.321 -4.788 9.959 1.00 0.00 O ATOM 567 CB LEU A 40 31.631 -1.933 10.749 1.00 0.00 C ATOM 568 CG LEU A 40 31.296 -2.775 11.991 1.00 0.00 C ATOM 569 CD1 LEU A 40 30.236 -3.815 11.661 1.00 0.00 C ATOM 570 CD2 LEU A 40 32.540 -3.441 12.560 1.00 0.00 C ATOM 0 H LEU A 40 32.093 -0.987 8.527 1.00 0.00 H new ATOM 0 HA LEU A 40 33.714 -2.357 10.413 1.00 0.00 H new ATOM 0 HB2 LEU A 40 31.880 -0.924 11.077 1.00 0.00 H new ATOM 0 HB3 LEU A 40 30.733 -1.856 10.136 1.00 0.00 H new ATOM 0 HG LEU A 40 30.900 -2.104 12.753 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.012 -4.401 12.552 1.00 0.00 H new ATOM 0 HD12 LEU A 40 29.330 -3.315 11.318 1.00 0.00 H new ATOM 0 HD13 LEU A 40 30.606 -4.475 10.876 1.00 0.00 H new ATOM 0 HD21 LEU A 40 32.269 -4.029 13.437 1.00 0.00 H new ATOM 0 HD22 LEU A 40 32.980 -4.095 11.807 1.00 0.00 H new ATOM 0 HD23 LEU A 40 33.264 -2.677 12.844 1.00 0.00 H new ATOM 582 N CYS A 41 31.534 -4.189 8.730 1.00 0.00 N ATOM 583 CA CYS A 41 31.212 -5.549 8.319 1.00 0.00 C ATOM 584 C CYS A 41 32.379 -6.180 7.563 1.00 0.00 C ATOM 585 O CYS A 41 32.567 -7.397 7.599 1.00 0.00 O ATOM 586 CB CYS A 41 29.962 -5.543 7.441 1.00 0.00 C ATOM 587 SG CYS A 41 28.832 -6.941 7.732 1.00 0.00 S ATOM 0 H CYS A 41 30.903 -3.478 8.360 1.00 0.00 H new ATOM 0 HA CYS A 41 31.023 -6.144 9.213 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.420 -4.612 7.608 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.268 -5.550 6.395 1.00 0.00 H new ATOM 592 N GLU A 42 33.158 -5.346 6.882 1.00 0.00 N ATOM 593 CA GLU A 42 34.305 -5.822 6.118 1.00 0.00 C ATOM 594 C GLU A 42 35.402 -6.337 7.045 1.00 0.00 C ATOM 595 O GLU A 42 36.198 -7.197 6.664 1.00 0.00 O ATOM 596 CB GLU A 42 34.855 -4.704 5.231 1.00 0.00 C ATOM 597 CG GLU A 42 34.261 -4.690 3.832 1.00 0.00 C ATOM 598 CD GLU A 42 35.314 -4.512 2.755 1.00 0.00 C ATOM 599 OE1 GLU A 42 35.754 -3.363 2.539 1.00 0.00 O ATOM 600 OE2 GLU A 42 35.699 -5.521 2.127 1.00 0.00 O ATOM 0 H GLU A 42 33.016 -4.337 6.844 1.00 0.00 H new ATOM 0 HA GLU A 42 33.971 -6.646 5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 42 34.661 -3.744 5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 42 35.937 -4.810 5.156 1.00 0.00 H new ATOM 0 HG2 GLU A 42 33.724 -5.623 3.660 1.00 0.00 H new ATOM 0 HG3 GLU A 42 33.531 -3.884 3.759 1.00 0.00 H new ATOM 607 N LYS A 43 35.439 -5.806 8.262 1.00 0.00 N ATOM 608 CA LYS A 43 36.440 -6.210 9.244 1.00 0.00 C ATOM 609 C LYS A 43 35.979 -7.443 10.017 1.00 0.00 C ATOM 610 O LYS A 43 36.709 -7.967 10.859 1.00 0.00 O ATOM 611 CB LYS A 43 36.725 -5.063 10.215 1.00 0.00 C ATOM 612 CG LYS A 43 37.191 -3.788 9.530 1.00 0.00 C ATOM 613 CD LYS A 43 38.708 -3.688 9.511 1.00 0.00 C ATOM 614 CE LYS A 43 39.253 -3.756 8.094 1.00 0.00 C ATOM 615 NZ LYS A 43 39.691 -2.421 7.600 1.00 0.00 N ATOM 0 H LYS A 43 34.787 -5.094 8.593 1.00 0.00 H new ATOM 0 HA LYS A 43 37.356 -6.460 8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 43 35.822 -4.849 10.787 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.486 -5.382 10.928 1.00 0.00 H new ATOM 0 HG2 LYS A 43 36.811 -3.763 8.509 1.00 0.00 H new ATOM 0 HG3 LYS A 43 36.775 -2.923 10.047 1.00 0.00 H new ATOM 0 HD2 LYS A 43 39.018 -2.752 9.977 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.134 -4.496 10.105 1.00 0.00 H new ATOM 0 HE2 LYS A 43 40.094 -4.448 8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 43 38.487 -4.155 7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 40.056 -2.512 6.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 38.883 -1.766 7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 40.441 -2.051 8.218 1.00 0.00 H new ATOM 629 N ASP A 44 34.765 -7.899 9.726 1.00 0.00 N ATOM 630 CA ASP A 44 34.208 -9.071 10.395 1.00 0.00 C ATOM 631 C ASP A 44 34.272 -10.297 9.489 1.00 0.00 C ATOM 632 O ASP A 44 34.247 -10.178 8.265 1.00 0.00 O ATOM 633 CB ASP A 44 32.760 -8.804 10.812 1.00 0.00 C ATOM 634 CG ASP A 44 32.380 -9.541 12.081 1.00 0.00 C ATOM 635 OD1 ASP A 44 32.048 -10.741 11.995 1.00 0.00 O ATOM 636 OD2 ASP A 44 32.415 -8.916 13.163 1.00 0.00 O ATOM 0 H ASP A 44 34.148 -7.476 9.032 1.00 0.00 H new ATOM 0 HA ASP A 44 34.805 -9.269 11.285 1.00 0.00 H new ATOM 0 HB2 ASP A 44 32.619 -7.733 10.960 1.00 0.00 H new ATOM 0 HB3 ASP A 44 32.091 -9.105 10.006 1.00 0.00 H new ATOM 641 N ALA A 45 34.356 -11.474 10.102 1.00 0.00 N ATOM 642 CA ALA A 45 34.424 -12.724 9.352 1.00 0.00 C ATOM 643 C ALA A 45 33.053 -13.382 9.256 1.00 0.00 C ATOM 644 O ALA A 45 32.699 -13.954 8.224 1.00 0.00 O ATOM 645 CB ALA A 45 35.424 -13.671 9.997 1.00 0.00 C ATOM 0 H ALA A 45 34.379 -11.588 11.115 1.00 0.00 H new ATOM 0 HA ALA A 45 34.758 -12.495 8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.465 -14.600 9.428 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.410 -13.207 10.006 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.114 -13.886 11.020 1.00 0.00 H new ATOM 651 N LYS A 46 32.286 -13.297 10.337 1.00 0.00 N ATOM 652 CA LYS A 46 30.951 -13.882 10.378 1.00 0.00 C ATOM 653 C LYS A 46 29.935 -12.966 9.703 1.00 0.00 C ATOM 654 O LYS A 46 28.731 -13.218 9.747 1.00 0.00 O ATOM 655 CB LYS A 46 30.533 -14.151 11.824 1.00 0.00 C ATOM 656 CG LYS A 46 30.701 -15.601 12.245 1.00 0.00 C ATOM 657 CD LYS A 46 30.246 -15.822 13.680 1.00 0.00 C ATOM 658 CE LYS A 46 29.848 -17.268 13.924 1.00 0.00 C ATOM 659 NZ LYS A 46 29.482 -17.512 15.346 1.00 0.00 N ATOM 0 H LYS A 46 32.566 -12.828 11.198 1.00 0.00 H new ATOM 0 HA LYS A 46 30.978 -14.827 9.835 1.00 0.00 H new ATOM 0 HB2 LYS A 46 31.122 -13.518 12.488 1.00 0.00 H new ATOM 0 HB3 LYS A 46 29.490 -13.863 11.952 1.00 0.00 H new ATOM 0 HG2 LYS A 46 30.127 -16.244 11.577 1.00 0.00 H new ATOM 0 HG3 LYS A 46 31.747 -15.891 12.145 1.00 0.00 H new ATOM 0 HD2 LYS A 46 31.048 -15.545 14.364 1.00 0.00 H new ATOM 0 HD3 LYS A 46 29.401 -15.169 13.899 1.00 0.00 H new ATOM 0 HE2 LYS A 46 29.005 -17.525 13.283 1.00 0.00 H new ATOM 0 HE3 LYS A 46 30.673 -17.923 13.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 29.217 -18.510 15.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 30.295 -17.291 15.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 28.678 -16.905 15.607 1.00 0.00 H new ATOM 673 N CYS A 47 30.431 -11.903 9.079 1.00 0.00 N ATOM 674 CA CYS A 47 29.570 -10.947 8.393 1.00 0.00 C ATOM 675 C CYS A 47 29.310 -11.384 6.955 1.00 0.00 C ATOM 676 O CYS A 47 30.239 -11.723 6.221 1.00 0.00 O ATOM 677 CB CYS A 47 30.205 -9.555 8.412 1.00 0.00 C ATOM 678 SG CYS A 47 29.817 -8.535 6.953 1.00 0.00 S ATOM 0 H CYS A 47 31.426 -11.682 9.034 1.00 0.00 H new ATOM 0 HA CYS A 47 28.616 -10.910 8.919 1.00 0.00 H new ATOM 0 HB2 CYS A 47 29.873 -9.029 9.307 1.00 0.00 H new ATOM 0 HB3 CYS A 47 31.287 -9.663 8.488 1.00 0.00 H new ATOM 683 N ARG A 48 28.041 -11.374 6.559 1.00 0.00 N ATOM 684 CA ARG A 48 27.657 -11.769 5.209 1.00 0.00 C ATOM 685 C ARG A 48 26.501 -10.914 4.699 1.00 0.00 C ATOM 686 O ARG A 48 26.569 -10.348 3.608 1.00 0.00 O ATOM 687 CB ARG A 48 27.266 -13.247 5.177 1.00 0.00 C ATOM 688 CG ARG A 48 27.991 -14.047 4.107 1.00 0.00 C ATOM 689 CD ARG A 48 28.883 -15.116 4.718 1.00 0.00 C ATOM 690 NE ARG A 48 30.248 -15.050 4.203 1.00 0.00 N ATOM 691 CZ ARG A 48 31.181 -15.961 4.466 1.00 0.00 C ATOM 692 NH1 ARG A 48 30.896 -17.003 5.236 1.00 0.00 N ATOM 693 NH2 ARG A 48 32.399 -15.830 3.960 1.00 0.00 N ATOM 0 H ARG A 48 27.261 -11.096 7.155 1.00 0.00 H new ATOM 0 HA ARG A 48 28.516 -11.614 4.556 1.00 0.00 H new ATOM 0 HB2 ARG A 48 27.472 -13.690 6.152 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.191 -13.326 5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 48 27.262 -14.515 3.445 1.00 0.00 H new ATOM 0 HG3 ARG A 48 28.593 -13.376 3.495 1.00 0.00 H new ATOM 0 HD2 ARG A 48 28.898 -14.999 5.802 1.00 0.00 H new ATOM 0 HD3 ARG A 48 28.464 -16.100 4.509 1.00 0.00 H new ATOM 0 HE ARG A 48 30.500 -14.261 3.608 1.00 0.00 H new ATOM 0 HH11 ARG A 48 29.960 -17.107 5.628 1.00 0.00 H new ATOM 0 HH12 ARG A 48 31.613 -17.700 5.436 1.00 0.00 H new ATOM 0 HH21 ARG A 48 32.622 -15.030 3.368 1.00 0.00 H new ATOM 0 HH22 ARG A 48 33.113 -16.529 4.163 1.00 0.00 H new ATOM 707 N PHE A 49 25.441 -10.826 5.497 1.00 0.00 N ATOM 708 CA PHE A 49 24.270 -10.039 5.129 1.00 0.00 C ATOM 709 C PHE A 49 24.006 -8.945 6.158 1.00 0.00 C ATOM 710 O PHE A 49 23.234 -9.137 7.098 1.00 0.00 O ATOM 711 CB PHE A 49 23.040 -10.941 5.002 1.00 0.00 C ATOM 712 CG PHE A 49 23.299 -12.211 4.241 1.00 0.00 C ATOM 713 CD1 PHE A 49 23.581 -12.177 2.885 1.00 0.00 C ATOM 714 CD2 PHE A 49 23.258 -13.439 4.884 1.00 0.00 C ATOM 715 CE1 PHE A 49 23.818 -13.343 2.183 1.00 0.00 C ATOM 716 CE2 PHE A 49 23.494 -14.608 4.187 1.00 0.00 C ATOM 717 CZ PHE A 49 23.774 -14.560 2.835 1.00 0.00 C ATOM 0 H PHE A 49 25.369 -11.290 6.402 1.00 0.00 H new ATOM 0 HA PHE A 49 24.468 -9.569 4.166 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.680 -11.192 6.000 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.243 -10.387 4.506 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.616 -11.228 2.371 1.00 0.00 H new ATOM 0 HD2 PHE A 49 23.039 -13.482 5.941 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.037 -13.303 1.126 1.00 0.00 H new ATOM 0 HE2 PHE A 49 23.460 -15.559 4.698 1.00 0.00 H new ATOM 0 HZ PHE A 49 23.958 -15.473 2.288 1.00 0.00 H new ATOM 727 N PHE A 50 24.652 -7.797 5.976 1.00 0.00 N ATOM 728 CA PHE A 50 24.485 -6.674 6.890 1.00 0.00 C ATOM 729 C PHE A 50 23.106 -6.041 6.727 1.00 0.00 C ATOM 730 O PHE A 50 22.389 -6.330 5.768 1.00 0.00 O ATOM 731 CB PHE A 50 25.578 -5.629 6.655 1.00 0.00 C ATOM 732 CG PHE A 50 25.369 -4.798 5.421 1.00 0.00 C ATOM 733 CD1 PHE A 50 25.702 -5.293 4.172 1.00 0.00 C ATOM 734 CD2 PHE A 50 24.838 -3.522 5.513 1.00 0.00 C ATOM 735 CE1 PHE A 50 25.511 -4.529 3.036 1.00 0.00 C ATOM 736 CE2 PHE A 50 24.644 -2.753 4.383 1.00 0.00 C ATOM 737 CZ PHE A 50 24.981 -3.257 3.142 1.00 0.00 C ATOM 0 H PHE A 50 25.295 -7.621 5.204 1.00 0.00 H new ATOM 0 HA PHE A 50 24.571 -7.050 7.910 1.00 0.00 H new ATOM 0 HB2 PHE A 50 25.629 -4.969 7.521 1.00 0.00 H new ATOM 0 HB3 PHE A 50 26.541 -6.134 6.582 1.00 0.00 H new ATOM 0 HD1 PHE A 50 26.115 -6.287 4.084 1.00 0.00 H new ATOM 0 HD2 PHE A 50 24.572 -3.124 6.481 1.00 0.00 H new ATOM 0 HE1 PHE A 50 25.776 -4.926 2.067 1.00 0.00 H new ATOM 0 HE2 PHE A 50 24.230 -1.759 4.469 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.831 -2.658 2.256 1.00 0.00 H new ATOM 747 N THR A 51 22.742 -5.179 7.671 1.00 0.00 N ATOM 748 CA THR A 51 21.449 -4.506 7.637 1.00 0.00 C ATOM 749 C THR A 51 21.466 -3.243 8.494 1.00 0.00 C ATOM 750 O THR A 51 21.283 -3.301 9.710 1.00 0.00 O ATOM 751 CB THR A 51 20.322 -5.440 8.126 1.00 0.00 C ATOM 752 OG1 THR A 51 20.151 -6.524 7.205 1.00 0.00 O ATOM 753 CG2 THR A 51 19.008 -4.686 8.273 1.00 0.00 C ATOM 0 H THR A 51 23.325 -4.930 8.470 1.00 0.00 H new ATOM 0 HA THR A 51 21.256 -4.231 6.600 1.00 0.00 H new ATOM 0 HB THR A 51 20.608 -5.829 9.103 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.806 -6.444 6.480 1.00 0.00 H new ATOM 0 HG21 THR A 51 18.233 -5.370 8.619 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.130 -3.880 8.997 1.00 0.00 H new ATOM 0 HG23 THR A 51 18.719 -4.267 7.309 1.00 0.00 H new ATOM 761 N LEU A 52 21.688 -2.101 7.850 1.00 0.00 N ATOM 762 CA LEU A 52 21.731 -0.823 8.549 1.00 0.00 C ATOM 763 C LEU A 52 20.336 -0.217 8.661 1.00 0.00 C ATOM 764 O LEU A 52 19.423 -0.597 7.927 1.00 0.00 O ATOM 765 CB LEU A 52 22.666 0.147 7.822 1.00 0.00 C ATOM 766 CG LEU A 52 22.847 1.509 8.499 1.00 0.00 C ATOM 767 CD1 LEU A 52 24.282 1.683 8.972 1.00 0.00 C ATOM 768 CD2 LEU A 52 22.455 2.632 7.551 1.00 0.00 C ATOM 0 H LEU A 52 21.841 -2.036 6.844 1.00 0.00 H new ATOM 0 HA LEU A 52 22.112 -0.999 9.555 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.644 -0.323 7.721 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.284 0.308 6.814 1.00 0.00 H new ATOM 0 HG LEU A 52 22.192 1.551 9.369 1.00 0.00 H new ATOM 0 HD11 LEU A 52 24.392 2.656 9.450 1.00 0.00 H new ATOM 0 HD12 LEU A 52 24.527 0.897 9.687 1.00 0.00 H new ATOM 0 HD13 LEU A 52 24.957 1.620 8.118 1.00 0.00 H new ATOM 0 HD21 LEU A 52 22.590 3.592 8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.083 2.593 6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 52 21.410 2.517 7.263 1.00 0.00 H new ATOM 780 N ALA A 53 20.178 0.726 9.584 1.00 0.00 N ATOM 781 CA ALA A 53 18.897 1.388 9.793 1.00 0.00 C ATOM 782 C ALA A 53 19.076 2.897 9.904 1.00 0.00 C ATOM 783 O ALA A 53 20.087 3.445 9.464 1.00 0.00 O ATOM 784 CB ALA A 53 18.219 0.838 11.040 1.00 0.00 C ATOM 0 H ALA A 53 20.924 1.049 10.200 1.00 0.00 H new ATOM 0 HA ALA A 53 18.262 1.187 8.930 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.263 1.340 11.186 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.052 -0.233 10.921 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.856 1.012 11.907 1.00 0.00 H new ATOM 790 N SER A 54 18.090 3.563 10.494 1.00 0.00 N ATOM 791 CA SER A 54 18.137 5.012 10.665 1.00 0.00 C ATOM 792 C SER A 54 19.392 5.434 11.423 1.00 0.00 C ATOM 793 O SER A 54 19.798 6.595 11.371 1.00 0.00 O ATOM 794 CB SER A 54 16.892 5.500 11.407 1.00 0.00 C ATOM 795 OG SER A 54 16.992 6.877 11.723 1.00 0.00 O ATOM 0 H SER A 54 17.247 3.123 10.863 1.00 0.00 H new ATOM 0 HA SER A 54 18.164 5.466 9.675 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.008 5.328 10.792 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.761 4.923 12.322 1.00 0.00 H new ATOM 0 HG SER A 54 16.183 7.164 12.195 1.00 0.00 H new ATOM 801 N GLY A 55 20.003 4.484 12.125 1.00 0.00 N ATOM 802 CA GLY A 55 21.207 4.777 12.882 1.00 0.00 C ATOM 803 C GLY A 55 21.741 3.564 13.617 1.00 0.00 C ATOM 804 O GLY A 55 22.227 3.676 14.742 1.00 0.00 O ATOM 0 H GLY A 55 19.686 3.516 12.183 1.00 0.00 H new ATOM 0 HA2 GLY A 55 21.974 5.155 12.206 1.00 0.00 H new ATOM 0 HA3 GLY A 55 20.997 5.569 13.600 1.00 0.00 H new ATOM 808 N LYS A 56 21.650 2.399 12.981 1.00 0.00 N ATOM 809 CA LYS A 56 22.126 1.158 13.582 1.00 0.00 C ATOM 810 C LYS A 56 22.245 0.055 12.537 1.00 0.00 C ATOM 811 O LYS A 56 21.266 -0.308 11.886 1.00 0.00 O ATOM 812 CB LYS A 56 21.184 0.713 14.702 1.00 0.00 C ATOM 813 CG LYS A 56 21.891 0.011 15.850 1.00 0.00 C ATOM 814 CD LYS A 56 21.030 -0.017 17.102 1.00 0.00 C ATOM 815 CE LYS A 56 21.335 -1.233 17.961 1.00 0.00 C ATOM 816 NZ LYS A 56 20.980 -1.007 19.389 1.00 0.00 N ATOM 0 H LYS A 56 21.251 2.289 12.049 1.00 0.00 H new ATOM 0 HA LYS A 56 23.115 1.346 14.000 1.00 0.00 H new ATOM 0 HB2 LYS A 56 20.657 1.585 15.090 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.430 0.044 14.287 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.140 -1.009 15.556 1.00 0.00 H new ATOM 0 HG3 LYS A 56 22.831 0.519 16.065 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.199 0.891 17.681 1.00 0.00 H new ATOM 0 HD3 LYS A 56 19.977 -0.024 16.821 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.783 -2.093 17.582 1.00 0.00 H new ATOM 0 HE3 LYS A 56 22.395 -1.475 17.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 21.203 -1.859 19.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 21.525 -0.202 19.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 19.963 -0.801 19.466 1.00 0.00 H new ATOM 830 N CYS A 57 23.452 -0.478 12.388 1.00 0.00 N ATOM 831 CA CYS A 57 23.707 -1.544 11.428 1.00 0.00 C ATOM 832 C CYS A 57 23.781 -2.890 12.139 1.00 0.00 C ATOM 833 O CYS A 57 24.170 -2.961 13.302 1.00 0.00 O ATOM 834 CB CYS A 57 25.011 -1.273 10.672 1.00 0.00 C ATOM 835 SG CYS A 57 25.928 -2.773 10.194 1.00 0.00 S ATOM 0 H CYS A 57 24.271 -0.188 12.922 1.00 0.00 H new ATOM 0 HA CYS A 57 22.885 -1.573 10.712 1.00 0.00 H new ATOM 0 HB2 CYS A 57 24.784 -0.699 9.774 1.00 0.00 H new ATOM 0 HB3 CYS A 57 25.655 -0.651 11.294 1.00 0.00 H new ATOM 840 N SER A 58 23.401 -3.953 11.437 1.00 0.00 N ATOM 841 CA SER A 58 23.423 -5.297 12.006 1.00 0.00 C ATOM 842 C SER A 58 23.797 -6.326 10.945 1.00 0.00 C ATOM 843 O SER A 58 23.130 -6.440 9.918 1.00 0.00 O ATOM 844 CB SER A 58 22.060 -5.641 12.605 1.00 0.00 C ATOM 845 OG SER A 58 21.745 -4.783 13.687 1.00 0.00 O ATOM 0 H SER A 58 23.074 -3.910 10.472 1.00 0.00 H new ATOM 0 HA SER A 58 24.175 -5.321 12.795 1.00 0.00 H new ATOM 0 HB2 SER A 58 21.291 -5.559 11.837 1.00 0.00 H new ATOM 0 HB3 SER A 58 22.061 -6.676 12.946 1.00 0.00 H new ATOM 0 HG SER A 58 20.867 -5.024 14.051 1.00 0.00 H new ATOM 851 N LEU A 59 24.865 -7.075 11.199 1.00 0.00 N ATOM 852 CA LEU A 59 25.320 -8.093 10.259 1.00 0.00 C ATOM 853 C LEU A 59 24.810 -9.473 10.665 1.00 0.00 C ATOM 854 O LEU A 59 24.853 -9.840 11.839 1.00 0.00 O ATOM 855 CB LEU A 59 26.849 -8.105 10.163 1.00 0.00 C ATOM 856 CG LEU A 59 27.589 -7.229 11.179 1.00 0.00 C ATOM 857 CD1 LEU A 59 29.053 -7.637 11.260 1.00 0.00 C ATOM 858 CD2 LEU A 59 27.470 -5.759 10.813 1.00 0.00 C ATOM 0 H LEU A 59 25.430 -6.997 12.045 1.00 0.00 H new ATOM 0 HA LEU A 59 24.913 -7.846 9.279 1.00 0.00 H new ATOM 0 HB2 LEU A 59 27.193 -9.133 10.279 1.00 0.00 H new ATOM 0 HB3 LEU A 59 27.134 -7.785 9.161 1.00 0.00 H new ATOM 0 HG LEU A 59 27.129 -7.375 12.156 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.567 -7.006 11.986 1.00 0.00 H new ATOM 0 HD12 LEU A 59 29.124 -8.679 11.571 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.519 -7.518 10.282 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.003 -5.157 11.549 1.00 0.00 H new ATOM 0 HD22 LEU A 59 27.903 -5.594 9.826 1.00 0.00 H new ATOM 0 HD23 LEU A 59 26.419 -5.471 10.801 1.00 0.00 H new ATOM 870 N PHE A 60 24.324 -10.228 9.685 1.00 0.00 N ATOM 871 CA PHE A 60 23.801 -11.566 9.936 1.00 0.00 C ATOM 872 C PHE A 60 24.493 -12.599 9.052 1.00 0.00 C ATOM 873 O PHE A 60 24.462 -12.501 7.825 1.00 0.00 O ATOM 874 CB PHE A 60 22.290 -11.597 9.692 1.00 0.00 C ATOM 875 CG PHE A 60 21.557 -10.460 10.345 1.00 0.00 C ATOM 876 CD1 PHE A 60 21.410 -9.246 9.692 1.00 0.00 C ATOM 877 CD2 PHE A 60 21.021 -10.602 11.614 1.00 0.00 C ATOM 878 CE1 PHE A 60 20.743 -8.196 10.293 1.00 0.00 C ATOM 879 CE2 PHE A 60 20.351 -9.556 12.219 1.00 0.00 C ATOM 880 CZ PHE A 60 20.213 -8.351 11.558 1.00 0.00 C ATOM 0 H PHE A 60 24.282 -9.936 8.709 1.00 0.00 H new ATOM 0 HA PHE A 60 24.001 -11.818 10.978 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.102 -11.572 8.619 1.00 0.00 H new ATOM 0 HB3 PHE A 60 21.889 -12.540 10.064 1.00 0.00 H new ATOM 0 HD1 PHE A 60 21.822 -9.120 8.702 1.00 0.00 H new ATOM 0 HD2 PHE A 60 21.128 -11.541 12.137 1.00 0.00 H new ATOM 0 HE1 PHE A 60 20.636 -7.255 9.774 1.00 0.00 H new ATOM 0 HE2 PHE A 60 19.935 -9.680 13.208 1.00 0.00 H new ATOM 0 HZ PHE A 60 19.691 -7.532 12.030 1.00 0.00 H new ATOM 890 N ALA A 61 25.116 -13.588 9.685 1.00 0.00 N ATOM 891 CA ALA A 61 25.816 -14.641 8.959 1.00 0.00 C ATOM 892 C ALA A 61 24.841 -15.497 8.158 1.00 0.00 C ATOM 893 O ALA A 61 25.180 -16.009 7.092 1.00 0.00 O ATOM 894 CB ALA A 61 26.613 -15.505 9.924 1.00 0.00 C ATOM 0 H ALA A 61 25.150 -13.682 10.700 1.00 0.00 H new ATOM 0 HA ALA A 61 26.504 -14.170 8.257 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.131 -16.287 9.369 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.343 -14.887 10.447 1.00 0.00 H new ATOM 0 HB3 ALA A 61 25.937 -15.960 10.648 1.00 0.00 H new ATOM 900 N ASP A 62 23.628 -15.647 8.681 1.00 0.00 N ATOM 901 CA ASP A 62 22.600 -16.442 8.017 1.00 0.00 C ATOM 902 C ASP A 62 21.208 -16.033 8.487 1.00 0.00 C ATOM 903 O ASP A 62 21.049 -15.462 9.565 1.00 0.00 O ATOM 904 CB ASP A 62 22.825 -17.931 8.284 1.00 0.00 C ATOM 905 CG ASP A 62 22.403 -18.798 7.114 1.00 0.00 C ATOM 906 OD1 ASP A 62 22.797 -18.485 5.971 1.00 0.00 O ATOM 907 OD2 ASP A 62 21.680 -19.792 7.342 1.00 0.00 O ATOM 0 H ASP A 62 23.333 -15.228 9.563 1.00 0.00 H new ATOM 0 HA ASP A 62 22.670 -16.258 6.945 1.00 0.00 H new ATOM 0 HB2 ASP A 62 23.880 -18.104 8.499 1.00 0.00 H new ATOM 0 HB3 ASP A 62 22.266 -18.227 9.172 1.00 0.00 H new ATOM 912 N ASP A 63 20.203 -16.330 7.670 1.00 0.00 N ATOM 913 CA ASP A 63 18.823 -15.994 8.000 1.00 0.00 C ATOM 914 C ASP A 63 18.225 -17.025 8.953 1.00 0.00 C ATOM 915 O ASP A 63 18.315 -18.229 8.715 1.00 0.00 O ATOM 916 CB ASP A 63 17.977 -15.907 6.728 1.00 0.00 C ATOM 917 CG ASP A 63 17.634 -14.478 6.358 1.00 0.00 C ATOM 918 OD1 ASP A 63 18.564 -13.711 6.028 1.00 0.00 O ATOM 919 OD2 ASP A 63 16.438 -14.125 6.397 1.00 0.00 O ATOM 0 H ASP A 63 20.319 -16.803 6.774 1.00 0.00 H new ATOM 0 HA ASP A 63 18.821 -15.023 8.495 1.00 0.00 H new ATOM 0 HB2 ASP A 63 18.517 -16.373 5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 63 17.057 -16.474 6.868 1.00 0.00 H new ATOM 924 N ALA A 64 17.614 -16.543 10.031 1.00 0.00 N ATOM 925 CA ALA A 64 17.001 -17.423 11.019 1.00 0.00 C ATOM 926 C ALA A 64 15.609 -16.936 11.399 1.00 0.00 C ATOM 927 O ALA A 64 14.663 -17.721 11.472 1.00 0.00 O ATOM 928 CB ALA A 64 17.883 -17.523 12.255 1.00 0.00 C ATOM 0 H ALA A 64 17.530 -15.549 10.242 1.00 0.00 H new ATOM 0 HA ALA A 64 16.902 -18.414 10.575 1.00 0.00 H new ATOM 0 HB1 ALA A 64 17.414 -18.183 12.985 1.00 0.00 H new ATOM 0 HB2 ALA A 64 18.857 -17.925 11.976 1.00 0.00 H new ATOM 0 HB3 ALA A 64 18.011 -16.533 12.692 1.00 0.00 H new ATOM 934 N ALA A 65 15.491 -15.636 11.640 1.00 0.00 N ATOM 935 CA ALA A 65 14.215 -15.038 12.012 1.00 0.00 C ATOM 936 C ALA A 65 14.260 -13.518 11.882 1.00 0.00 C ATOM 937 O ALA A 65 13.359 -12.819 12.346 1.00 0.00 O ATOM 938 CB ALA A 65 13.840 -15.435 13.433 1.00 0.00 C ATOM 0 H ALA A 65 16.265 -14.974 11.584 1.00 0.00 H new ATOM 0 HA ALA A 65 13.454 -15.413 11.327 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.885 -14.981 13.698 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.757 -16.520 13.498 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.610 -15.088 14.123 1.00 0.00 H new ATOM 944 N LEU A 66 15.314 -13.015 11.248 1.00 0.00 N ATOM 945 CA LEU A 66 15.476 -11.578 11.057 1.00 0.00 C ATOM 946 C LEU A 66 14.434 -11.038 10.082 1.00 0.00 C ATOM 947 O LEU A 66 14.649 -11.024 8.870 1.00 0.00 O ATOM 948 CB LEU A 66 16.884 -11.263 10.544 1.00 0.00 C ATOM 949 CG LEU A 66 17.412 -12.216 9.470 1.00 0.00 C ATOM 950 CD1 LEU A 66 17.813 -11.443 8.223 1.00 0.00 C ATOM 951 CD2 LEU A 66 18.587 -13.022 10.003 1.00 0.00 C ATOM 0 H LEU A 66 16.068 -13.580 10.858 1.00 0.00 H new ATOM 0 HA LEU A 66 15.332 -11.091 12.022 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.889 -10.250 10.143 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.573 -11.275 11.389 1.00 0.00 H new ATOM 0 HG LEU A 66 16.615 -12.910 9.202 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.186 -12.136 7.469 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.946 -10.912 7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.594 -10.726 8.475 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.950 -13.694 9.225 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.388 -12.345 10.300 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.266 -13.605 10.866 1.00 0.00 H new ATOM 963 N ARG A 67 13.303 -10.593 10.621 1.00 0.00 N ATOM 964 CA ARG A 67 12.225 -10.052 9.802 1.00 0.00 C ATOM 965 C ARG A 67 12.235 -8.524 9.824 1.00 0.00 C ATOM 966 O ARG A 67 12.862 -7.913 10.688 1.00 0.00 O ATOM 967 CB ARG A 67 10.873 -10.571 10.295 1.00 0.00 C ATOM 968 CG ARG A 67 10.385 -11.803 9.549 1.00 0.00 C ATOM 969 CD ARG A 67 8.869 -11.827 9.444 1.00 0.00 C ATOM 970 NE ARG A 67 8.344 -13.188 9.407 1.00 0.00 N ATOM 971 CZ ARG A 67 7.144 -13.529 9.866 1.00 0.00 C ATOM 972 NH1 ARG A 67 6.346 -12.610 10.394 1.00 0.00 N ATOM 973 NH2 ARG A 67 6.740 -14.790 9.797 1.00 0.00 N ATOM 0 H ARG A 67 13.110 -10.597 11.623 1.00 0.00 H new ATOM 0 HA ARG A 67 12.382 -10.383 8.775 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.949 -10.806 11.357 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.131 -9.779 10.196 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.820 -11.821 8.550 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.729 -12.701 10.063 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.439 -11.296 10.293 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.560 -11.295 8.545 1.00 0.00 H new ATOM 0 HE ARG A 67 8.931 -13.919 9.006 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.653 -11.639 10.449 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.426 -12.875 10.745 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.350 -15.500 9.391 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.819 -15.050 10.150 1.00 0.00 H new ATOM 987 N PRO A 68 11.533 -7.886 8.871 1.00 0.00 N ATOM 988 CA PRO A 68 11.460 -6.423 8.786 1.00 0.00 C ATOM 989 C PRO A 68 10.681 -5.815 9.946 1.00 0.00 C ATOM 990 O PRO A 68 10.209 -6.527 10.833 1.00 0.00 O ATOM 991 CB PRO A 68 10.727 -6.179 7.465 1.00 0.00 C ATOM 992 CG PRO A 68 9.930 -7.417 7.241 1.00 0.00 C ATOM 993 CD PRO A 68 10.752 -8.541 7.806 1.00 0.00 C ATOM 0 HA PRO A 68 12.447 -5.963 8.832 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.085 -5.300 7.525 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.429 -6.006 6.649 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.961 -7.353 7.737 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.735 -7.570 6.179 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.124 -9.340 8.201 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.398 -8.987 7.050 1.00 0.00 H new ATOM 1001 N THR A 69 10.546 -4.492 9.934 1.00 0.00 N ATOM 1002 CA THR A 69 9.822 -3.785 10.984 1.00 0.00 C ATOM 1003 C THR A 69 9.448 -2.376 10.541 1.00 0.00 C ATOM 1004 O THR A 69 8.356 -1.889 10.842 1.00 0.00 O ATOM 1005 CB THR A 69 10.648 -3.703 12.281 1.00 0.00 C ATOM 1006 OG1 THR A 69 10.020 -2.805 13.206 1.00 0.00 O ATOM 1007 CG2 THR A 69 12.066 -3.230 11.994 1.00 0.00 C ATOM 0 H THR A 69 10.929 -3.888 9.207 1.00 0.00 H new ATOM 0 HA THR A 69 8.913 -4.354 11.179 1.00 0.00 H new ATOM 0 HB THR A 69 10.696 -4.701 12.717 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.550 -2.759 14.029 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.629 -3.181 12.926 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.552 -3.929 11.313 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.034 -2.241 11.537 1.00 0.00 H new ATOM 1015 N LYS A 70 10.358 -1.726 9.826 1.00 0.00 N ATOM 1016 CA LYS A 70 10.127 -0.370 9.339 1.00 0.00 C ATOM 1017 C LYS A 70 11.200 0.039 8.333 1.00 0.00 C ATOM 1018 O LYS A 70 12.346 -0.402 8.421 1.00 0.00 O ATOM 1019 CB LYS A 70 10.107 0.619 10.507 1.00 0.00 C ATOM 1020 CG LYS A 70 9.074 1.723 10.350 1.00 0.00 C ATOM 1021 CD LYS A 70 7.932 1.563 11.340 1.00 0.00 C ATOM 1022 CE LYS A 70 6.642 1.160 10.643 1.00 0.00 C ATOM 1023 NZ LYS A 70 5.567 0.824 11.617 1.00 0.00 N ATOM 0 H LYS A 70 11.265 -2.116 9.570 1.00 0.00 H new ATOM 0 HA LYS A 70 9.159 -0.353 8.839 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.908 0.075 11.430 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.095 1.069 10.609 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.551 2.692 10.497 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.680 1.712 9.334 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.196 0.810 12.083 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.780 2.500 11.876 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.308 1.974 9.999 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.830 0.301 9.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.704 0.554 11.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.876 0.031 12.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.369 1.652 12.215 1.00 0.00 H new ATOM 1037 N SER A 71 10.819 0.883 7.381 1.00 0.00 N ATOM 1038 CA SER A 71 11.747 1.352 6.358 1.00 0.00 C ATOM 1039 C SER A 71 12.110 2.817 6.582 1.00 0.00 C ATOM 1040 O SER A 71 12.443 3.536 5.640 1.00 0.00 O ATOM 1041 CB SER A 71 11.136 1.173 4.966 1.00 0.00 C ATOM 1042 OG SER A 71 9.757 0.861 5.050 1.00 0.00 O ATOM 0 H SER A 71 9.874 1.257 7.296 1.00 0.00 H new ATOM 0 HA SER A 71 12.657 0.757 6.428 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.271 2.086 4.386 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.660 0.378 4.435 1.00 0.00 H new ATOM 0 HG SER A 71 9.390 0.753 4.148 1.00 0.00 H new ATOM 1048 N ASP A 72 12.042 3.252 7.837 1.00 0.00 N ATOM 1049 CA ASP A 72 12.363 4.631 8.186 1.00 0.00 C ATOM 1050 C ASP A 72 13.863 4.886 8.077 1.00 0.00 C ATOM 1051 O ASP A 72 14.600 4.745 9.054 1.00 0.00 O ATOM 1052 CB ASP A 72 11.881 4.945 9.604 1.00 0.00 C ATOM 1053 CG ASP A 72 10.541 5.653 9.616 1.00 0.00 C ATOM 1054 OD1 ASP A 72 10.468 6.794 9.114 1.00 0.00 O ATOM 1055 OD2 ASP A 72 9.565 5.067 10.130 1.00 0.00 O ATOM 0 H ASP A 72 11.768 2.669 8.628 1.00 0.00 H new ATOM 0 HA ASP A 72 11.851 5.286 7.482 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.804 4.018 10.172 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.622 5.567 10.107 1.00 0.00 H new ATOM 1060 N GLY A 73 14.309 5.262 6.882 1.00 0.00 N ATOM 1061 CA GLY A 73 15.718 5.533 6.664 1.00 0.00 C ATOM 1062 C GLY A 73 16.585 4.308 6.888 1.00 0.00 C ATOM 1063 O GLY A 73 17.730 4.422 7.327 1.00 0.00 O ATOM 0 H GLY A 73 13.718 5.384 6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.862 5.895 5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.040 6.330 7.335 1.00 0.00 H new ATOM 1067 N ALA A 74 16.036 3.136 6.586 1.00 0.00 N ATOM 1068 CA ALA A 74 16.765 1.884 6.758 1.00 0.00 C ATOM 1069 C ALA A 74 17.180 1.301 5.411 1.00 0.00 C ATOM 1070 O ALA A 74 16.634 1.666 4.370 1.00 0.00 O ATOM 1071 CB ALA A 74 15.918 0.883 7.527 1.00 0.00 C ATOM 0 H ALA A 74 15.090 3.027 6.221 1.00 0.00 H new ATOM 0 HA ALA A 74 17.670 2.094 7.329 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.474 -0.047 7.648 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.674 1.291 8.508 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.998 0.686 6.977 1.00 0.00 H new ATOM 1077 N VAL A 75 18.147 0.389 5.442 1.00 0.00 N ATOM 1078 CA VAL A 75 18.638 -0.251 4.229 1.00 0.00 C ATOM 1079 C VAL A 75 19.541 -1.435 4.563 1.00 0.00 C ATOM 1080 O VAL A 75 20.340 -1.374 5.498 1.00 0.00 O ATOM 1081 CB VAL A 75 19.412 0.744 3.341 1.00 0.00 C ATOM 1082 CG1 VAL A 75 20.634 1.281 4.071 1.00 0.00 C ATOM 1083 CG2 VAL A 75 19.809 0.092 2.026 1.00 0.00 C ATOM 0 H VAL A 75 18.606 0.077 6.297 1.00 0.00 H new ATOM 0 HA VAL A 75 17.766 -0.607 3.681 1.00 0.00 H new ATOM 0 HB VAL A 75 18.756 1.585 3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.165 1.981 3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 75 20.319 1.793 4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 75 21.295 0.454 4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 75 20.354 0.810 1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 75 20.444 -0.771 2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 75 18.914 -0.231 1.495 1.00 0.00 H new ATOM 1093 N SER A 76 19.406 -2.513 3.797 1.00 0.00 N ATOM 1094 CA SER A 76 20.208 -3.711 4.017 1.00 0.00 C ATOM 1095 C SER A 76 20.975 -4.093 2.756 1.00 0.00 C ATOM 1096 O SER A 76 20.921 -3.389 1.746 1.00 0.00 O ATOM 1097 CB SER A 76 19.317 -4.873 4.459 1.00 0.00 C ATOM 1098 OG SER A 76 18.467 -5.293 3.405 1.00 0.00 O ATOM 0 H SER A 76 18.750 -2.581 3.019 1.00 0.00 H new ATOM 0 HA SER A 76 20.929 -3.495 4.806 1.00 0.00 H new ATOM 0 HB2 SER A 76 19.938 -5.708 4.785 1.00 0.00 H new ATOM 0 HB3 SER A 76 18.716 -4.569 5.316 1.00 0.00 H new ATOM 0 HG SER A 76 18.546 -4.670 2.653 1.00 0.00 H new ATOM 1104 N GLY A 77 21.688 -5.213 2.820 1.00 0.00 N ATOM 1105 CA GLY A 77 22.456 -5.672 1.677 1.00 0.00 C ATOM 1106 C GLY A 77 22.632 -7.178 1.663 1.00 0.00 C ATOM 1107 O GLY A 77 23.101 -7.763 2.639 1.00 0.00 O ATOM 0 H GLY A 77 21.748 -5.811 3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.958 -5.359 0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 77 23.436 -5.195 1.686 1.00 0.00 H new ATOM 1111 N ASN A 78 22.253 -7.805 0.554 1.00 0.00 N ATOM 1112 CA ASN A 78 22.371 -9.252 0.416 1.00 0.00 C ATOM 1113 C ASN A 78 23.303 -9.614 -0.735 1.00 0.00 C ATOM 1114 O ASN A 78 23.584 -8.787 -1.603 1.00 0.00 O ATOM 1115 CB ASN A 78 20.993 -9.878 0.188 1.00 0.00 C ATOM 1116 CG ASN A 78 19.977 -9.431 1.222 1.00 0.00 C ATOM 1117 OD1 ASN A 78 19.042 -8.694 0.911 1.00 0.00 O ATOM 1118 ND2 ASN A 78 20.158 -9.878 2.460 1.00 0.00 N ATOM 0 H ASN A 78 21.862 -7.334 -0.262 1.00 0.00 H new ATOM 0 HA ASN A 78 22.793 -9.647 1.340 1.00 0.00 H new ATOM 0 HB2 ASN A 78 20.636 -9.612 -0.807 1.00 0.00 H new ATOM 0 HB3 ASN A 78 21.081 -10.964 0.215 1.00 0.00 H new ATOM 0 HD21 ASN A 78 19.507 -9.612 3.199 1.00 0.00 H new ATOM 0 HD22 ASN A 78 20.948 -10.488 2.672 1.00 0.00 H new ATOM 1125 N LYS A 79 23.778 -10.856 -0.736 1.00 0.00 N ATOM 1126 CA LYS A 79 24.678 -11.330 -1.781 1.00 0.00 C ATOM 1127 C LYS A 79 23.900 -11.730 -3.030 1.00 0.00 C ATOM 1128 O LYS A 79 24.487 -12.038 -4.067 1.00 0.00 O ATOM 1129 CB LYS A 79 25.501 -12.516 -1.276 1.00 0.00 C ATOM 1130 CG LYS A 79 26.998 -12.352 -1.484 1.00 0.00 C ATOM 1131 CD LYS A 79 27.454 -12.996 -2.783 1.00 0.00 C ATOM 1132 CE LYS A 79 28.643 -13.916 -2.561 1.00 0.00 C ATOM 1133 NZ LYS A 79 28.712 -14.992 -3.589 1.00 0.00 N ATOM 0 H LYS A 79 23.554 -11.552 -0.025 1.00 0.00 H new ATOM 0 HA LYS A 79 25.352 -10.514 -2.042 1.00 0.00 H new ATOM 0 HB2 LYS A 79 25.304 -12.658 -0.213 1.00 0.00 H new ATOM 0 HB3 LYS A 79 25.169 -13.421 -1.785 1.00 0.00 H new ATOM 0 HG2 LYS A 79 27.251 -11.292 -1.494 1.00 0.00 H new ATOM 0 HG3 LYS A 79 27.534 -12.800 -0.647 1.00 0.00 H new ATOM 0 HD2 LYS A 79 26.631 -13.562 -3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 79 27.722 -12.220 -3.501 1.00 0.00 H new ATOM 0 HE2 LYS A 79 29.563 -13.332 -2.584 1.00 0.00 H new ATOM 0 HE3 LYS A 79 28.575 -14.365 -1.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 29.536 -15.598 -3.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 27.845 -15.565 -3.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 28.803 -14.565 -4.533 1.00 0.00 H new ATOM 1147 N ARG A 80 22.575 -11.725 -2.922 1.00 0.00 N ATOM 1148 CA ARG A 80 21.715 -12.088 -4.042 1.00 0.00 C ATOM 1149 C ARG A 80 20.645 -11.026 -4.274 1.00 0.00 C ATOM 1150 O ARG A 80 19.903 -10.667 -3.359 1.00 0.00 O ATOM 1151 CB ARG A 80 21.055 -13.445 -3.786 1.00 0.00 C ATOM 1152 CG ARG A 80 20.969 -14.323 -5.025 1.00 0.00 C ATOM 1153 CD ARG A 80 21.317 -15.768 -4.708 1.00 0.00 C ATOM 1154 NE ARG A 80 22.028 -16.414 -5.807 1.00 0.00 N ATOM 1155 CZ ARG A 80 23.325 -16.241 -6.051 1.00 0.00 C ATOM 1156 NH1 ARG A 80 24.048 -15.446 -5.275 1.00 0.00 N ATOM 1157 NH2 ARG A 80 23.898 -16.864 -7.071 1.00 0.00 N ATOM 0 H ARG A 80 22.074 -11.473 -2.070 1.00 0.00 H new ATOM 0 HA ARG A 80 22.335 -12.155 -4.936 1.00 0.00 H new ATOM 0 HB2 ARG A 80 21.616 -13.973 -3.015 1.00 0.00 H new ATOM 0 HB3 ARG A 80 20.051 -13.283 -3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 80 19.962 -14.272 -5.439 1.00 0.00 H new ATOM 0 HG3 ARG A 80 21.647 -13.943 -5.789 1.00 0.00 H new ATOM 0 HD2 ARG A 80 21.931 -15.804 -3.808 1.00 0.00 H new ATOM 0 HD3 ARG A 80 20.403 -16.322 -4.492 1.00 0.00 H new ATOM 0 HE ARG A 80 21.501 -17.033 -6.423 1.00 0.00 H new ATOM 0 HH11 ARG A 80 23.611 -14.965 -4.489 1.00 0.00 H new ATOM 0 HH12 ARG A 80 25.042 -15.315 -5.464 1.00 0.00 H new ATOM 0 HH21 ARG A 80 23.345 -17.477 -7.670 1.00 0.00 H new ATOM 0 HH22 ARG A 80 24.892 -16.731 -7.257 1.00 0.00 H new ATOM 1171 N CYS A 81 20.573 -10.526 -5.504 1.00 0.00 N ATOM 1172 CA CYS A 81 19.594 -9.504 -5.858 1.00 0.00 C ATOM 1173 C CYS A 81 18.485 -10.090 -6.728 1.00 0.00 C ATOM 1174 O CYS A 81 17.940 -9.412 -7.598 1.00 0.00 O ATOM 1175 CB CYS A 81 20.276 -8.346 -6.590 1.00 0.00 C ATOM 1176 SG CYS A 81 22.096 -8.434 -6.591 1.00 0.00 S ATOM 0 H CYS A 81 21.181 -10.812 -6.272 1.00 0.00 H new ATOM 0 HA CYS A 81 19.148 -9.129 -4.937 1.00 0.00 H new ATOM 0 HB2 CYS A 81 19.924 -8.325 -7.621 1.00 0.00 H new ATOM 0 HB3 CYS A 81 19.969 -7.408 -6.129 1.00 0.00 H new ATOM 1181 N ILE A 82 18.158 -11.356 -6.484 1.00 0.00 N ATOM 1182 CA ILE A 82 17.118 -12.037 -7.242 1.00 0.00 C ATOM 1183 C ILE A 82 15.752 -11.408 -6.988 1.00 0.00 C ATOM 1184 O ILE A 82 14.878 -11.430 -7.855 1.00 0.00 O ATOM 1185 CB ILE A 82 17.057 -13.533 -6.883 1.00 0.00 C ATOM 1186 CG1 ILE A 82 17.180 -13.725 -5.369 1.00 0.00 C ATOM 1187 CG2 ILE A 82 18.151 -14.298 -7.612 1.00 0.00 C ATOM 1188 CD1 ILE A 82 15.900 -14.190 -4.713 1.00 0.00 C ATOM 0 H ILE A 82 18.600 -11.930 -5.766 1.00 0.00 H new ATOM 0 HA ILE A 82 17.371 -11.932 -8.297 1.00 0.00 H new ATOM 0 HB ILE A 82 16.092 -13.928 -7.201 1.00 0.00 H new ATOM 0 HG12 ILE A 82 17.967 -14.451 -5.166 1.00 0.00 H new ATOM 0 HG13 ILE A 82 17.490 -12.783 -4.916 1.00 0.00 H new ATOM 0 HG21 ILE A 82 18.095 -15.354 -7.348 1.00 0.00 H new ATOM 0 HG22 ILE A 82 18.018 -14.186 -8.688 1.00 0.00 H new ATOM 0 HG23 ILE A 82 19.125 -13.903 -7.323 1.00 0.00 H new ATOM 0 HD11 ILE A 82 16.061 -14.305 -3.641 1.00 0.00 H new ATOM 0 HD12 ILE A 82 15.115 -13.454 -4.885 1.00 0.00 H new ATOM 0 HD13 ILE A 82 15.600 -15.147 -5.139 1.00 0.00 H new ATOM 1200 N LEU A 83 15.575 -10.849 -5.795 1.00 0.00 N ATOM 1201 CA LEU A 83 14.315 -10.214 -5.427 1.00 0.00 C ATOM 1202 C LEU A 83 14.069 -8.964 -6.267 1.00 0.00 C ATOM 1203 O LEU A 83 14.778 -7.967 -6.135 1.00 0.00 O ATOM 1204 CB LEU A 83 14.317 -9.851 -3.940 1.00 0.00 C ATOM 1205 CG LEU A 83 12.974 -9.369 -3.389 1.00 0.00 C ATOM 1206 CD1 LEU A 83 12.184 -10.534 -2.814 1.00 0.00 C ATOM 1207 CD2 LEU A 83 13.186 -8.292 -2.336 1.00 0.00 C ATOM 0 H LEU A 83 16.289 -10.823 -5.067 1.00 0.00 H new ATOM 0 HA LEU A 83 13.510 -10.923 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 83 14.634 -10.724 -3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 83 15.061 -9.073 -3.773 1.00 0.00 H new ATOM 0 HG LEU A 83 12.399 -8.938 -4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 83 11.232 -10.172 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 83 12.001 -11.271 -3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 83 12.752 -10.996 -2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 83 12.220 -7.961 -1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 83 13.780 -8.696 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 83 13.710 -7.446 -2.781 1.00 0.00 H new ATOM 1219 N LEU A 84 13.059 -9.027 -7.129 1.00 0.00 N ATOM 1220 CA LEU A 84 12.718 -7.901 -7.991 1.00 0.00 C ATOM 1221 C LEU A 84 11.323 -7.374 -7.672 1.00 0.00 C ATOM 1222 O LEU A 84 10.385 -8.149 -7.482 1.00 0.00 O ATOM 1223 CB LEU A 84 12.796 -8.316 -9.461 1.00 0.00 C ATOM 1224 CG LEU A 84 14.063 -7.869 -10.194 1.00 0.00 C ATOM 1225 CD1 LEU A 84 14.868 -9.077 -10.649 1.00 0.00 C ATOM 1226 CD2 LEU A 84 13.709 -6.983 -11.379 1.00 0.00 C ATOM 0 H LEU A 84 12.463 -9.846 -7.249 1.00 0.00 H new ATOM 0 HA LEU A 84 13.438 -7.104 -7.807 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.724 -9.402 -9.520 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.930 -7.910 -9.984 1.00 0.00 H new ATOM 0 HG LEU A 84 14.675 -7.289 -9.504 1.00 0.00 H new ATOM 0 HD11 LEU A 84 15.766 -8.741 -11.168 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.152 -9.673 -9.781 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.264 -9.684 -11.324 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.622 -6.675 -11.888 1.00 0.00 H new ATOM 0 HD22 LEU A 84 13.077 -7.538 -12.072 1.00 0.00 H new ATOM 0 HD23 LEU A 84 13.174 -6.101 -11.027 1.00 0.00 H new ATOM 1238 N GLU A 85 11.194 -6.053 -7.614 1.00 0.00 N ATOM 1239 CA GLU A 85 9.913 -5.421 -7.318 1.00 0.00 C ATOM 1240 C GLU A 85 9.082 -5.254 -8.587 1.00 0.00 C ATOM 1241 O GLU A 85 9.625 -5.110 -9.682 1.00 0.00 O ATOM 1242 CB GLU A 85 10.132 -4.059 -6.656 1.00 0.00 C ATOM 1243 CG GLU A 85 8.925 -3.559 -5.880 1.00 0.00 C ATOM 1244 CD GLU A 85 8.241 -2.388 -6.559 1.00 0.00 C ATOM 1245 OE1 GLU A 85 8.847 -1.297 -6.616 1.00 0.00 O ATOM 1246 OE2 GLU A 85 7.099 -2.562 -7.034 1.00 0.00 O ATOM 0 H GLU A 85 11.961 -5.399 -7.768 1.00 0.00 H new ATOM 0 HA GLU A 85 9.368 -6.068 -6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.985 -4.125 -5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.388 -3.328 -7.423 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.211 -4.374 -5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.238 -3.262 -4.879 1.00 0.00 H new ATOM 1253 N ASP A 86 7.762 -5.275 -8.430 1.00 0.00 N ATOM 1254 CA ASP A 86 6.855 -5.126 -9.562 1.00 0.00 C ATOM 1255 C ASP A 86 5.636 -4.294 -9.177 1.00 0.00 C ATOM 1256 O ASP A 86 5.122 -4.483 -8.054 1.00 0.00 O ATOM 1257 CB ASP A 86 6.410 -6.499 -10.070 1.00 0.00 C ATOM 1258 CG ASP A 86 6.179 -6.514 -11.568 1.00 0.00 C ATOM 1259 OD1 ASP A 86 5.081 -6.109 -12.004 1.00 0.00 O ATOM 1260 OD2 ASP A 86 7.096 -6.932 -12.306 1.00 0.00 O ATOM 1261 OXT ASP A 86 5.204 -3.461 -10.001 1.00 0.00 O ATOM 0 H ASP A 86 7.297 -5.394 -7.530 1.00 0.00 H new ATOM 0 HA ASP A 86 7.390 -4.607 -10.358 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.167 -7.241 -9.814 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.492 -6.792 -9.561 1.00 0.00 H new TER 1266 ASP A 86