USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 587 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 46 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.31) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.9!) USER MOD Single : A 13 LYS NZ :NH3+ -156:sc= -0.051 (180deg=-0.279) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.0039) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.881 K(o=0.88,f=-2.5!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 83:sc= -1.33 USER MOD Single : A 38 GLN : amide:sc=-0.00567 K(o=-0.0057,f=-0.67) USER MOD Single : A 39 HIS : no HD1:sc= -0.0819 X(o=-0.082,f=-0.024) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.72! C(o=-1.7!,f=-3.7!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot -50:sc= -1.58 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -115:sc= 1.32 (180deg=-0.844) USER MOD Single : A 78 TYR OH : rot 134:sc= -0.526! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -1.09 K(o=-1.1,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -2.675 12.770 4.507 1.00 60.20 N ATOM 2 CA ASN A 10 -1.887 11.700 3.906 1.00 63.20 C ATOM 3 C ASN A 10 -2.306 10.341 4.457 1.00 73.50 C ATOM 4 O ASN A 10 -2.240 9.330 3.757 1.00 44.20 O ATOM 5 CB ASN A 10 -0.396 11.930 4.164 1.00 63.20 C ATOM 6 CG ASN A 10 0.097 13.238 3.576 1.00 73.10 C ATOM 7 OD1 ASN A 10 0.307 13.350 2.369 1.00 61.10 O ATOM 8 ND2 ASN A 10 0.285 14.237 4.431 1.00 52.00 N ATOM 0 HA ASN A 10 -2.069 11.708 2.831 1.00 63.20 H new ATOM 0 HB2 ASN A 10 -0.211 11.925 5.238 1.00 63.20 H new ATOM 0 HB3 ASN A 10 0.175 11.105 3.738 1.00 63.20 H new ATOM 0 HD21 ASN A 10 0.616 15.141 4.094 1.00 52.00 H new ATOM 0 HD22 ASN A 10 0.098 14.100 5.424 1.00 52.00 H new ATOM 15 N LEU A 11 -2.737 10.325 5.713 1.00 13.20 N ATOM 16 CA LEU A 11 -3.167 9.089 6.358 1.00 61.10 C ATOM 17 C LEU A 11 -4.465 8.577 5.740 1.00 32.40 C ATOM 18 O LEU A 11 -4.597 7.389 5.447 1.00 20.30 O ATOM 19 CB LEU A 11 -3.357 9.312 7.860 1.00 12.20 C ATOM 20 CG LEU A 11 -3.803 8.078 8.646 1.00 63.00 C ATOM 21 CD1 LEU A 11 -2.598 7.273 9.106 1.00 10.40 C ATOM 22 CD2 LEU A 11 -4.660 8.487 9.835 1.00 42.40 C ATOM 0 H LEU A 11 -2.798 11.153 6.305 1.00 13.20 H new ATOM 0 HA LEU A 11 -2.391 8.339 6.205 1.00 61.10 H new ATOM 0 HB2 LEU A 11 -2.418 9.672 8.280 1.00 12.20 H new ATOM 0 HB3 LEU A 11 -4.094 10.102 8.004 1.00 12.20 H new ATOM 0 HG LEU A 11 -4.403 7.449 7.989 1.00 63.00 H new ATOM 0 HD11 LEU A 11 -2.935 6.399 9.663 1.00 10.40 H new ATOM 0 HD12 LEU A 11 -2.023 6.950 8.238 1.00 10.40 H new ATOM 0 HD13 LEU A 11 -1.970 7.892 9.747 1.00 10.40 H new ATOM 0 HD21 LEU A 11 -4.969 7.597 10.384 1.00 42.40 H new ATOM 0 HD22 LEU A 11 -4.083 9.137 10.493 1.00 42.40 H new ATOM 0 HD23 LEU A 11 -5.543 9.020 9.481 1.00 42.40 H new ATOM 34 N GLN A 12 -5.419 9.481 5.546 1.00 23.50 N ATOM 35 CA GLN A 12 -6.706 9.120 4.964 1.00 41.50 C ATOM 36 C GLN A 12 -6.527 8.545 3.563 1.00 14.10 C ATOM 37 O GLN A 12 -7.299 7.689 3.129 1.00 24.40 O ATOM 38 CB GLN A 12 -7.627 10.341 4.913 1.00 22.40 C ATOM 39 CG GLN A 12 -9.083 9.995 4.648 1.00 74.40 C ATOM 40 CD GLN A 12 -9.832 11.116 3.954 1.00 34.10 C ATOM 41 OE1 GLN A 12 -9.240 11.922 3.236 1.00 1.13 O ATOM 42 NE2 GLN A 12 -11.140 11.172 4.166 1.00 14.40 N ATOM 0 H GLN A 12 -5.325 10.469 5.783 1.00 23.50 H new ATOM 0 HA GLN A 12 -7.161 8.357 5.595 1.00 41.50 H new ATOM 0 HB2 GLN A 12 -7.556 10.878 5.859 1.00 22.40 H new ATOM 0 HB3 GLN A 12 -7.276 11.018 4.134 1.00 22.40 H new ATOM 0 HG2 GLN A 12 -9.133 9.095 4.034 1.00 74.40 H new ATOM 0 HG3 GLN A 12 -9.575 9.764 5.593 1.00 74.40 H new ATOM 0 HE21 GLN A 12 -11.589 10.483 4.769 1.00 14.40 H new ATOM 0 HE22 GLN A 12 -11.697 11.904 3.726 1.00 14.40 H new ATOM 51 N LYS A 13 -5.505 9.020 2.859 1.00 63.20 N ATOM 52 CA LYS A 13 -5.224 8.553 1.507 1.00 42.20 C ATOM 53 C LYS A 13 -4.612 7.156 1.530 1.00 41.10 C ATOM 54 O LYS A 13 -4.819 6.362 0.613 1.00 33.00 O ATOM 55 CB LYS A 13 -4.281 9.524 0.795 1.00 63.20 C ATOM 56 CG LYS A 13 -4.048 9.182 -0.668 1.00 11.40 C ATOM 57 CD LYS A 13 -5.354 9.126 -1.442 1.00 50.20 C ATOM 58 CE LYS A 13 -5.197 9.692 -2.844 1.00 54.00 C ATOM 59 NZ LYS A 13 -4.944 11.159 -2.825 1.00 33.30 N ATOM 0 H LYS A 13 -4.857 9.729 3.203 1.00 63.20 H new ATOM 0 HA LYS A 13 -6.167 8.508 0.962 1.00 42.20 H new ATOM 0 HB2 LYS A 13 -4.691 10.532 0.863 1.00 63.20 H new ATOM 0 HB3 LYS A 13 -3.323 9.534 1.314 1.00 63.20 H new ATOM 0 HG2 LYS A 13 -3.390 9.926 -1.116 1.00 11.40 H new ATOM 0 HG3 LYS A 13 -3.539 8.221 -0.741 1.00 11.40 H new ATOM 0 HD2 LYS A 13 -5.698 8.094 -1.502 1.00 50.20 H new ATOM 0 HD3 LYS A 13 -6.120 9.687 -0.906 1.00 50.20 H new ATOM 0 HE2 LYS A 13 -4.373 9.188 -3.349 1.00 54.00 H new ATOM 0 HE3 LYS A 13 -6.098 9.486 -3.422 1.00 54.00 H new ATOM 0 HZ1 LYS A 13 -5.239 11.574 -3.732 1.00 33.30 H new ATOM 0 HZ2 LYS A 13 -5.486 11.595 -2.052 1.00 33.30 H new ATOM 0 HZ3 LYS A 13 -3.930 11.334 -2.678 1.00 33.30 H new ATOM 73 N ALA A 14 -3.858 6.863 2.585 1.00 70.30 N ATOM 74 CA ALA A 14 -3.216 5.562 2.727 1.00 34.20 C ATOM 75 C ALA A 14 -4.241 4.474 3.028 1.00 52.50 C ATOM 76 O ALA A 14 -4.102 3.336 2.582 1.00 63.50 O ATOM 77 CB ALA A 14 -2.161 5.613 3.821 1.00 53.10 C ATOM 0 H ALA A 14 -3.677 7.509 3.353 1.00 70.30 H new ATOM 0 HA ALA A 14 -2.733 5.317 1.781 1.00 34.20 H new ATOM 0 HB1 ALA A 14 -1.689 4.635 3.917 1.00 53.10 H new ATOM 0 HB2 ALA A 14 -1.406 6.357 3.564 1.00 53.10 H new ATOM 0 HB3 ALA A 14 -2.630 5.884 4.767 1.00 53.10 H new ATOM 83 N ILE A 15 -5.271 4.833 3.788 1.00 51.10 N ATOM 84 CA ILE A 15 -6.320 3.887 4.148 1.00 44.40 C ATOM 85 C ILE A 15 -7.289 3.673 2.990 1.00 1.40 C ATOM 86 O ILE A 15 -7.766 2.561 2.764 1.00 55.30 O ATOM 87 CB ILE A 15 -7.110 4.366 5.381 1.00 1.55 C ATOM 88 CG1 ILE A 15 -6.152 4.782 6.498 1.00 5.51 C ATOM 89 CG2 ILE A 15 -8.053 3.274 5.863 1.00 30.10 C ATOM 90 CD1 ILE A 15 -6.809 5.608 7.582 1.00 22.10 C ATOM 0 H ILE A 15 -5.401 5.771 4.166 1.00 51.10 H new ATOM 0 HA ILE A 15 -5.827 2.944 4.385 1.00 44.40 H new ATOM 0 HB ILE A 15 -7.706 5.234 5.098 1.00 1.55 H new ATOM 0 HG12 ILE A 15 -5.719 3.888 6.946 1.00 5.51 H new ATOM 0 HG13 ILE A 15 -5.329 5.352 6.066 1.00 5.51 H new ATOM 0 HG21 ILE A 15 -8.604 3.628 6.735 1.00 30.10 H new ATOM 0 HG22 ILE A 15 -8.755 3.022 5.068 1.00 30.10 H new ATOM 0 HG23 ILE A 15 -7.477 2.389 6.133 1.00 30.10 H new ATOM 0 HD11 ILE A 15 -6.070 5.867 8.340 1.00 22.10 H new ATOM 0 HD12 ILE A 15 -7.218 6.520 7.147 1.00 22.10 H new ATOM 0 HD13 ILE A 15 -7.613 5.033 8.041 1.00 22.10 H new ATOM 102 N ASP A 16 -7.576 4.746 2.260 1.00 32.30 N ATOM 103 CA ASP A 16 -8.489 4.675 1.125 1.00 23.30 C ATOM 104 C ASP A 16 -7.967 3.708 0.067 1.00 52.50 C ATOM 105 O ASP A 16 -8.718 2.888 -0.462 1.00 64.30 O ATOM 106 CB ASP A 16 -8.682 6.064 0.512 1.00 73.30 C ATOM 107 CG ASP A 16 -9.963 6.168 -0.293 1.00 3.50 C ATOM 108 OD1 ASP A 16 -9.987 5.668 -1.437 1.00 71.20 O ATOM 109 OD2 ASP A 16 -10.940 6.748 0.221 1.00 2.52 O ATOM 0 H ASP A 16 -7.190 5.674 2.434 1.00 32.30 H new ATOM 0 HA ASP A 16 -9.450 4.307 1.485 1.00 23.30 H new ATOM 0 HB2 ASP A 16 -8.694 6.810 1.306 1.00 73.30 H new ATOM 0 HB3 ASP A 16 -7.833 6.296 -0.130 1.00 73.30 H new ATOM 114 N LEU A 17 -6.678 3.810 -0.237 1.00 51.40 N ATOM 115 CA LEU A 17 -6.056 2.945 -1.232 1.00 64.00 C ATOM 116 C LEU A 17 -5.866 1.534 -0.683 1.00 43.10 C ATOM 117 O LEU A 17 -6.015 0.550 -1.408 1.00 41.20 O ATOM 118 CB LEU A 17 -4.707 3.521 -1.668 1.00 20.20 C ATOM 119 CG LEU A 17 -4.790 4.772 -2.544 1.00 4.13 C ATOM 120 CD1 LEU A 17 -3.600 5.683 -2.287 1.00 21.00 C ATOM 121 CD2 LEU A 17 -4.864 4.388 -4.014 1.00 10.20 C ATOM 0 H LEU A 17 -6.043 4.484 0.192 1.00 51.40 H new ATOM 0 HA LEU A 17 -6.718 2.894 -2.097 1.00 64.00 H new ATOM 0 HB2 LEU A 17 -4.125 3.758 -0.777 1.00 20.20 H new ATOM 0 HB3 LEU A 17 -4.159 2.751 -2.211 1.00 20.20 H new ATOM 0 HG LEU A 17 -5.699 5.315 -2.285 1.00 4.13 H new ATOM 0 HD11 LEU A 17 -3.676 6.568 -2.919 1.00 21.00 H new ATOM 0 HD12 LEU A 17 -3.592 5.985 -1.240 1.00 21.00 H new ATOM 0 HD13 LEU A 17 -2.677 5.150 -2.518 1.00 21.00 H new ATOM 0 HD21 LEU A 17 -4.923 5.290 -4.623 1.00 10.20 H new ATOM 0 HD22 LEU A 17 -3.973 3.823 -4.288 1.00 10.20 H new ATOM 0 HD23 LEU A 17 -5.749 3.776 -4.186 1.00 10.20 H new ATOM 133 N ALA A 18 -5.536 1.444 0.601 1.00 50.40 N ATOM 134 CA ALA A 18 -5.325 0.154 1.246 1.00 11.50 C ATOM 135 C ALA A 18 -6.583 -0.705 1.180 1.00 2.11 C ATOM 136 O ALA A 18 -6.525 -1.883 0.827 1.00 51.40 O ATOM 137 CB ALA A 18 -4.895 0.352 2.692 1.00 41.30 C ATOM 0 H ALA A 18 -5.409 2.249 1.215 1.00 50.40 H new ATOM 0 HA ALA A 18 -4.532 -0.367 0.710 1.00 11.50 H new ATOM 0 HB1 ALA A 18 -4.741 -0.619 3.162 1.00 41.30 H new ATOM 0 HB2 ALA A 18 -3.965 0.921 2.721 1.00 41.30 H new ATOM 0 HB3 ALA A 18 -5.670 0.897 3.231 1.00 41.30 H new ATOM 143 N SER A 19 -7.720 -0.108 1.522 1.00 33.50 N ATOM 144 CA SER A 19 -8.993 -0.819 1.501 1.00 1.02 C ATOM 145 C SER A 19 -9.386 -1.190 0.074 1.00 72.30 C ATOM 146 O SER A 19 -9.851 -2.301 -0.183 1.00 32.30 O ATOM 147 CB SER A 19 -10.090 0.037 2.137 1.00 21.10 C ATOM 148 OG SER A 19 -10.120 -0.137 3.543 1.00 41.30 O ATOM 0 H SER A 19 -7.786 0.866 1.817 1.00 33.50 H new ATOM 0 HA SER A 19 -8.877 -1.737 2.078 1.00 1.02 H new ATOM 0 HB2 SER A 19 -9.919 1.087 1.901 1.00 21.10 H new ATOM 0 HB3 SER A 19 -11.058 -0.232 1.713 1.00 21.10 H new ATOM 0 HG SER A 19 -10.828 0.422 3.927 1.00 41.30 H new ATOM 154 N LYS A 20 -9.194 -0.254 -0.850 1.00 72.30 N ATOM 155 CA LYS A 20 -9.528 -0.484 -2.250 1.00 32.10 C ATOM 156 C LYS A 20 -8.590 -1.513 -2.872 1.00 24.20 C ATOM 157 O LYS A 20 -9.000 -2.313 -3.713 1.00 70.20 O ATOM 158 CB LYS A 20 -9.457 0.828 -3.035 1.00 1.31 C ATOM 159 CG LYS A 20 -10.490 0.935 -4.137 1.00 70.00 C ATOM 160 CD LYS A 20 -10.330 -0.169 -5.169 1.00 30.40 C ATOM 161 CE LYS A 20 -10.680 0.315 -6.565 1.00 65.20 C ATOM 162 NZ LYS A 20 -12.160 0.433 -6.753 1.00 72.10 N ATOM 0 H LYS A 20 -8.809 0.670 -0.654 1.00 72.30 H new ATOM 0 HA LYS A 20 -10.545 -0.873 -2.295 1.00 32.10 H new ATOM 0 HB2 LYS A 20 -9.587 1.662 -2.345 1.00 1.31 H new ATOM 0 HB3 LYS A 20 -8.463 0.927 -3.470 1.00 1.31 H new ATOM 0 HG2 LYS A 20 -11.489 0.886 -3.705 1.00 70.00 H new ATOM 0 HG3 LYS A 20 -10.401 1.905 -4.626 1.00 70.00 H new ATOM 0 HD2 LYS A 20 -9.303 -0.533 -5.157 1.00 30.40 H new ATOM 0 HD3 LYS A 20 -10.970 -1.011 -4.904 1.00 30.40 H new ATOM 0 HE2 LYS A 20 -10.212 1.283 -6.743 1.00 65.20 H new ATOM 0 HE3 LYS A 20 -10.273 -0.376 -7.303 1.00 65.20 H new ATOM 0 HZ1 LYS A 20 -12.362 0.766 -7.717 1.00 72.10 H new ATOM 0 HZ2 LYS A 20 -12.604 -0.496 -6.607 1.00 72.10 H new ATOM 0 HZ3 LYS A 20 -12.544 1.112 -6.065 1.00 72.10 H new ATOM 176 N ALA A 21 -7.329 -1.487 -2.453 1.00 62.40 N ATOM 177 CA ALA A 21 -6.333 -2.418 -2.968 1.00 11.40 C ATOM 178 C ALA A 21 -6.640 -3.847 -2.532 1.00 0.30 C ATOM 179 O ALA A 21 -6.625 -4.771 -3.345 1.00 75.10 O ATOM 180 CB ALA A 21 -4.942 -2.010 -2.506 1.00 11.10 C ATOM 0 H ALA A 21 -6.973 -0.831 -1.758 1.00 62.40 H new ATOM 0 HA ALA A 21 -6.367 -2.383 -4.057 1.00 11.40 H new ATOM 0 HB1 ALA A 21 -4.208 -2.714 -2.898 1.00 11.10 H new ATOM 0 HB2 ALA A 21 -4.716 -1.008 -2.872 1.00 11.10 H new ATOM 0 HB3 ALA A 21 -4.904 -2.015 -1.417 1.00 11.10 H new ATOM 186 N ALA A 22 -6.918 -4.020 -1.244 1.00 52.10 N ATOM 187 CA ALA A 22 -7.228 -5.337 -0.701 1.00 0.03 C ATOM 188 C ALA A 22 -8.458 -5.933 -1.376 1.00 40.50 C ATOM 189 O ALA A 22 -8.568 -7.150 -1.526 1.00 64.50 O ATOM 190 CB ALA A 22 -7.440 -5.249 0.803 1.00 34.20 C ATOM 0 H ALA A 22 -6.935 -3.266 -0.558 1.00 52.10 H new ATOM 0 HA ALA A 22 -6.382 -5.995 -0.901 1.00 0.03 H new ATOM 0 HB1 ALA A 22 -7.671 -6.239 1.196 1.00 34.20 H new ATOM 0 HB2 ALA A 22 -6.533 -4.873 1.277 1.00 34.20 H new ATOM 0 HB3 ALA A 22 -8.268 -4.572 1.015 1.00 34.20 H new ATOM 196 N GLN A 23 -9.382 -5.068 -1.782 1.00 63.40 N ATOM 197 CA GLN A 23 -10.600 -5.510 -2.442 1.00 22.10 C ATOM 198 C GLN A 23 -10.330 -5.902 -3.890 1.00 41.40 C ATOM 199 O GLN A 23 -10.980 -6.790 -4.438 1.00 5.12 O ATOM 200 CB GLN A 23 -11.660 -4.407 -2.392 1.00 33.00 C ATOM 201 CG GLN A 23 -12.520 -4.443 -1.138 1.00 75.20 C ATOM 202 CD GLN A 23 -13.810 -3.662 -1.292 1.00 72.40 C ATOM 203 OE1 GLN A 23 -14.080 -2.733 -0.531 1.00 50.50 O ATOM 204 NE2 GLN A 23 -14.610 -4.036 -2.281 1.00 3.54 N ATOM 0 H GLN A 23 -9.308 -4.057 -1.664 1.00 63.40 H new ATOM 0 HA GLN A 23 -10.969 -6.388 -1.912 1.00 22.10 H new ATOM 0 HB2 GLN A 23 -11.166 -3.437 -2.456 1.00 33.00 H new ATOM 0 HB3 GLN A 23 -12.304 -4.495 -3.267 1.00 33.00 H new ATOM 0 HG2 GLN A 23 -12.754 -5.479 -0.892 1.00 75.20 H new ATOM 0 HG3 GLN A 23 -11.952 -4.037 -0.301 1.00 75.20 H new ATOM 0 HE21 GLN A 23 -14.344 -4.812 -2.887 1.00 3.54 H new ATOM 0 HE22 GLN A 23 -15.492 -3.547 -2.436 1.00 3.54 H new ATOM 213 N GLU A 24 -9.360 -5.235 -4.505 1.00 53.20 N ATOM 214 CA GLU A 24 -8.999 -5.514 -5.890 1.00 31.30 C ATOM 215 C GLU A 24 -8.398 -6.909 -6.025 1.00 31.20 C ATOM 216 O GLU A 24 -8.842 -7.710 -6.847 1.00 41.30 O ATOM 217 CB GLU A 24 -8.007 -4.467 -6.401 1.00 65.10 C ATOM 218 CG GLU A 24 -8.656 -3.143 -6.769 1.00 2.52 C ATOM 219 CD GLU A 24 -9.634 -3.273 -7.921 1.00 74.10 C ATOM 220 OE1 GLU A 24 -10.820 -3.553 -7.661 1.00 32.50 O ATOM 221 OE2 GLU A 24 -9.211 -3.096 -9.082 1.00 42.10 O ATOM 0 H GLU A 24 -8.809 -4.497 -4.066 1.00 53.20 H new ATOM 0 HA GLU A 24 -9.907 -5.469 -6.492 1.00 31.30 H new ATOM 0 HB2 GLU A 24 -7.251 -4.291 -5.636 1.00 65.10 H new ATOM 0 HB3 GLU A 24 -7.490 -4.864 -7.275 1.00 65.10 H new ATOM 0 HG2 GLU A 24 -9.177 -2.743 -5.899 1.00 2.52 H new ATOM 0 HG3 GLU A 24 -7.881 -2.424 -7.035 1.00 2.52 H new ATOM 228 N ASP A 25 -7.385 -7.192 -5.213 1.00 40.40 N ATOM 229 CA ASP A 25 -6.723 -8.491 -5.241 1.00 5.33 C ATOM 230 C ASP A 25 -7.698 -9.608 -4.884 1.00 60.40 C ATOM 231 O ASP A 25 -7.733 -10.640 -5.539 1.00 72.30 O ATOM 232 CB ASP A 25 -5.538 -8.505 -4.274 1.00 10.10 C ATOM 233 CG ASP A 25 -4.519 -9.572 -4.622 1.00 1.52 C ATOM 234 OD1 ASP A 25 -4.916 -10.740 -4.763 1.00 50.50 O ATOM 235 OD2 ASP A 25 -3.324 -9.233 -4.754 1.00 31.20 O ATOM 0 H ASP A 25 -7.005 -6.539 -4.528 1.00 40.40 H new ATOM 0 HA ASP A 25 -6.359 -8.662 -6.254 1.00 5.33 H new ATOM 0 HB2 ASP A 25 -5.054 -7.528 -4.283 1.00 10.10 H new ATOM 0 HB3 ASP A 25 -5.902 -8.671 -3.260 1.00 10.10 H new ATOM 240 N LYS A 26 -8.489 -9.383 -3.839 1.00 22.10 N ATOM 241 CA LYS A 26 -9.466 -10.370 -3.394 1.00 53.30 C ATOM 242 C LYS A 26 -10.580 -10.520 -4.417 1.00 43.30 C ATOM 243 O LYS A 26 -11.150 -11.600 -4.569 1.00 54.20 O ATOM 244 CB LYS A 26 -10.040 -9.967 -2.039 1.00 54.20 C ATOM 245 CG LYS A 26 -10.390 -11.140 -1.150 1.00 72.40 C ATOM 246 CD LYS A 26 -10.150 -10.830 0.317 1.00 74.00 C ATOM 247 CE LYS A 26 -9.618 -12.040 1.065 1.00 44.40 C ATOM 248 NZ LYS A 26 -10.050 -12.050 2.489 1.00 5.42 N ATOM 0 H LYS A 26 -8.472 -8.527 -3.285 1.00 22.10 H new ATOM 0 HA LYS A 26 -8.964 -11.332 -3.291 1.00 53.30 H new ATOM 0 HB2 LYS A 26 -9.318 -9.335 -1.523 1.00 54.20 H new ATOM 0 HB3 LYS A 26 -10.934 -9.365 -2.199 1.00 54.20 H new ATOM 0 HG2 LYS A 26 -11.436 -11.408 -1.298 1.00 72.40 H new ATOM 0 HG3 LYS A 26 -9.795 -12.006 -1.440 1.00 72.40 H new ATOM 0 HD2 LYS A 26 -9.441 -10.007 0.404 1.00 74.00 H new ATOM 0 HD3 LYS A 26 -11.081 -10.498 0.776 1.00 74.00 H new ATOM 0 HE2 LYS A 26 -9.964 -12.950 0.575 1.00 44.40 H new ATOM 0 HE3 LYS A 26 -8.529 -12.046 1.017 1.00 44.40 H new ATOM 0 HZ1 LYS A 26 -9.665 -12.892 2.963 1.00 5.42 H new ATOM 0 HZ2 LYS A 26 -9.698 -11.194 2.964 1.00 5.42 H new ATOM 0 HZ3 LYS A 26 -11.089 -12.070 2.537 1.00 5.42 H new ATOM 262 N ALA A 27 -10.890 -9.439 -5.115 1.00 73.10 N ATOM 263 CA ALA A 27 -11.950 -9.455 -6.123 1.00 41.30 C ATOM 264 C ALA A 27 -11.490 -10.180 -7.383 1.00 11.20 C ATOM 265 O ALA A 27 -12.240 -10.960 -7.968 1.00 13.50 O ATOM 266 CB ALA A 27 -12.380 -8.034 -6.458 1.00 74.10 C ATOM 0 H ALA A 27 -10.426 -8.537 -5.006 1.00 73.10 H new ATOM 0 HA ALA A 27 -12.804 -9.994 -5.713 1.00 41.30 H new ATOM 0 HB1 ALA A 27 -13.169 -8.060 -7.209 1.00 74.10 H new ATOM 0 HB2 ALA A 27 -12.752 -7.545 -5.558 1.00 74.10 H new ATOM 0 HB3 ALA A 27 -11.527 -7.478 -6.847 1.00 74.10 H new ATOM 272 N GLY A 28 -10.250 -9.921 -7.795 1.00 63.50 N ATOM 273 CA GLY A 28 -9.724 -10.550 -8.984 1.00 24.30 C ATOM 274 C GLY A 28 -8.636 -9.735 -9.644 1.00 40.40 C ATOM 275 O GLY A 28 -7.729 -10.280 -10.270 1.00 32.40 O ATOM 0 H GLY A 28 -9.605 -9.287 -7.323 1.00 63.50 H new ATOM 0 HA2 GLY A 28 -9.330 -11.533 -8.726 1.00 24.30 H new ATOM 0 HA3 GLY A 28 -10.535 -10.709 -9.695 1.00 24.30 H new ATOM 279 N ASN A 29 -8.727 -8.416 -9.503 1.00 41.00 N ATOM 280 CA ASN A 29 -7.743 -7.515 -10.090 1.00 64.50 C ATOM 281 C ASN A 29 -6.429 -7.565 -9.319 1.00 23.10 C ATOM 282 O ASN A 29 -6.390 -7.283 -8.122 1.00 0.14 O ATOM 283 CB ASN A 29 -8.281 -6.083 -10.110 1.00 43.10 C ATOM 284 CG ASN A 29 -9.603 -5.973 -10.840 1.00 34.40 C ATOM 285 OD1 ASN A 29 -10.100 -6.952 -11.400 1.00 50.50 O ATOM 286 ND2 ASN A 29 -10.180 -4.777 -10.850 1.00 32.40 N ATOM 0 H ASN A 29 -9.472 -7.948 -8.987 1.00 41.00 H new ATOM 0 HA ASN A 29 -7.555 -7.841 -11.113 1.00 64.50 H new ATOM 0 HB2 ASN A 29 -8.404 -5.730 -9.086 1.00 43.10 H new ATOM 0 HB3 ASN A 29 -7.550 -5.430 -10.587 1.00 43.10 H new ATOM 0 HD21 ASN A 29 -11.068 -4.643 -11.334 1.00 32.40 H new ATOM 0 HD22 ASN A 29 -9.735 -3.992 -10.374 1.00 32.40 H new ATOM 293 N TYR A 30 -5.354 -7.926 -10.010 1.00 5.30 N ATOM 294 CA TYR A 30 -4.037 -8.012 -9.392 1.00 34.20 C ATOM 295 C TYR A 30 -3.158 -6.840 -9.815 1.00 32.20 C ATOM 296 O TYR A 30 -2.428 -6.273 -9.001 1.00 44.30 O ATOM 297 CB TYR A 30 -3.361 -9.333 -9.765 1.00 22.20 C ATOM 298 CG TYR A 30 -3.818 -10.500 -8.928 1.00 43.30 C ATOM 299 CD1 TYR A 30 -5.164 -10.690 -8.637 1.00 13.20 C ATOM 300 CD2 TYR A 30 -2.904 -11.420 -8.429 1.00 74.10 C ATOM 301 CE1 TYR A 30 -5.586 -11.760 -7.872 1.00 22.40 C ATOM 302 CE2 TYR A 30 -3.319 -12.490 -7.664 1.00 13.50 C ATOM 303 CZ TYR A 30 -4.660 -12.660 -7.388 1.00 65.10 C ATOM 304 OH TYR A 30 -5.076 -13.730 -6.627 1.00 61.20 O ATOM 0 H TYR A 30 -5.369 -8.164 -11.002 1.00 5.30 H new ATOM 0 HA TYR A 30 -4.168 -7.971 -8.311 1.00 34.20 H new ATOM 0 HB2 TYR A 30 -3.559 -9.549 -10.815 1.00 22.20 H new ATOM 0 HB3 TYR A 30 -2.282 -9.222 -9.661 1.00 22.20 H new ATOM 0 HD1 TYR A 30 -5.893 -9.989 -9.016 1.00 13.20 H new ATOM 0 HD2 TYR A 30 -1.853 -11.295 -8.643 1.00 74.10 H new ATOM 0 HE1 TYR A 30 -6.636 -11.891 -7.654 1.00 22.40 H new ATOM 0 HE2 TYR A 30 -2.595 -13.194 -7.281 1.00 13.50 H new ATOM 0 HH TYR A 30 -4.299 -14.268 -6.366 1.00 61.20 H new ATOM 314 N GLU A 31 -3.233 -6.481 -11.090 1.00 71.10 N ATOM 315 CA GLU A 31 -2.444 -5.376 -11.620 1.00 14.40 C ATOM 316 C GLU A 31 -2.775 -4.073 -10.900 1.00 14.10 C ATOM 317 O GLU A 31 -1.887 -3.395 -10.380 1.00 53.30 O ATOM 318 CB GLU A 31 -2.694 -5.219 -13.120 1.00 44.10 C ATOM 319 CG GLU A 31 -1.426 -4.999 -13.930 1.00 43.50 C ATOM 320 CD GLU A 31 -1.110 -3.529 -14.130 1.00 11.10 C ATOM 321 OE1 GLU A 31 -0.479 -2.931 -13.230 1.00 64.40 O ATOM 322 OE2 GLU A 31 -1.492 -2.976 -15.180 1.00 4.53 O ATOM 0 H GLU A 31 -3.832 -6.939 -11.777 1.00 71.10 H new ATOM 0 HA GLU A 31 -1.391 -5.603 -11.454 1.00 14.40 H new ATOM 0 HB2 GLU A 31 -3.201 -6.110 -13.490 1.00 44.10 H new ATOM 0 HB3 GLU A 31 -3.368 -4.378 -13.281 1.00 44.10 H new ATOM 0 HG2 GLU A 31 -0.589 -5.482 -13.426 1.00 43.50 H new ATOM 0 HG3 GLU A 31 -1.532 -5.480 -14.902 1.00 43.50 H new ATOM 329 N GLU A 32 -4.059 -3.731 -10.860 1.00 30.20 N ATOM 330 CA GLU A 32 -4.507 -2.510 -10.200 1.00 3.43 C ATOM 331 C GLU A 32 -4.182 -2.545 -8.719 1.00 73.10 C ATOM 332 O GLU A 32 -3.777 -1.537 -8.138 1.00 12.20 O ATOM 333 CB GLU A 32 -6.012 -2.320 -10.400 1.00 44.50 C ATOM 334 CG GLU A 32 -6.477 -0.888 -10.200 1.00 52.00 C ATOM 335 CD GLU A 32 -6.559 -0.112 -11.500 1.00 74.00 C ATOM 336 OE1 GLU A 32 -5.537 0.483 -11.900 1.00 1.30 O ATOM 337 OE2 GLU A 32 -7.645 -0.100 -12.120 1.00 1.14 O ATOM 0 H GLU A 32 -4.808 -4.283 -11.277 1.00 30.20 H new ATOM 0 HA GLU A 32 -3.979 -1.669 -10.649 1.00 3.43 H new ATOM 0 HB2 GLU A 32 -6.280 -2.643 -11.406 1.00 44.50 H new ATOM 0 HB3 GLU A 32 -6.547 -2.967 -9.705 1.00 44.50 H new ATOM 0 HG2 GLU A 32 -7.456 -0.892 -9.722 1.00 52.00 H new ATOM 0 HG3 GLU A 32 -5.793 -0.380 -9.521 1.00 52.00 H new ATOM 344 N ALA A 33 -4.360 -3.710 -8.106 1.00 32.30 N ATOM 345 CA ALA A 33 -4.085 -3.877 -6.685 1.00 11.40 C ATOM 346 C ALA A 33 -2.611 -3.634 -6.379 1.00 12.10 C ATOM 347 O ALA A 33 -2.267 -3.070 -5.340 1.00 15.10 O ATOM 348 CB ALA A 33 -4.499 -5.267 -6.226 1.00 24.10 C ATOM 0 H ALA A 33 -4.694 -4.553 -8.572 1.00 32.30 H new ATOM 0 HA ALA A 33 -4.670 -3.137 -6.138 1.00 11.40 H new ATOM 0 HB1 ALA A 33 -4.287 -5.377 -5.162 1.00 24.10 H new ATOM 0 HB2 ALA A 33 -5.566 -5.405 -6.400 1.00 24.10 H new ATOM 0 HB3 ALA A 33 -3.940 -6.017 -6.786 1.00 24.10 H new ATOM 354 N LEU A 34 -1.744 -4.062 -7.290 1.00 24.30 N ATOM 355 CA LEU A 34 -0.306 -3.891 -7.118 1.00 34.10 C ATOM 356 C LEU A 34 0.056 -2.414 -7.007 1.00 42.30 C ATOM 357 O LEU A 34 0.779 -2.009 -6.096 1.00 71.40 O ATOM 358 CB LEU A 34 0.448 -4.527 -8.288 1.00 60.10 C ATOM 359 CG LEU A 34 1.969 -4.378 -8.234 1.00 24.20 C ATOM 360 CD1 LEU A 34 2.536 -5.126 -7.037 1.00 35.20 C ATOM 361 CD2 LEU A 34 2.598 -4.880 -9.525 1.00 30.40 C ATOM 0 H LEU A 34 -2.012 -4.530 -8.156 1.00 24.30 H new ATOM 0 HA LEU A 34 -0.014 -4.389 -6.193 1.00 34.10 H new ATOM 0 HB2 LEU A 34 0.203 -5.588 -8.324 1.00 60.10 H new ATOM 0 HB3 LEU A 34 0.087 -4.085 -9.217 1.00 60.10 H new ATOM 0 HG LEU A 34 2.209 -3.321 -8.122 1.00 24.20 H new ATOM 0 HD11 LEU A 34 3.619 -5.009 -7.015 1.00 35.20 H new ATOM 0 HD12 LEU A 34 2.108 -4.722 -6.119 1.00 35.20 H new ATOM 0 HD13 LEU A 34 2.287 -6.184 -7.118 1.00 35.20 H new ATOM 0 HD21 LEU A 34 3.681 -4.767 -9.470 1.00 30.40 H new ATOM 0 HD22 LEU A 34 2.350 -5.932 -9.666 1.00 30.40 H new ATOM 0 HD23 LEU A 34 2.215 -4.301 -10.365 1.00 30.40 H new ATOM 373 N GLN A 35 -0.451 -1.613 -7.939 1.00 25.20 N ATOM 374 CA GLN A 35 -0.180 -0.181 -7.945 1.00 14.30 C ATOM 375 C GLN A 35 -0.814 0.498 -6.735 1.00 33.20 C ATOM 376 O GLN A 35 -0.288 1.484 -6.218 1.00 25.20 O ATOM 377 CB GLN A 35 -0.706 0.453 -9.234 1.00 5.22 C ATOM 378 CG GLN A 35 0.162 0.169 -10.440 1.00 44.10 C ATOM 379 CD GLN A 35 -0.413 0.754 -11.720 1.00 31.50 C ATOM 380 OE1 GLN A 35 -0.064 1.865 -12.120 1.00 54.10 O ATOM 381 NE2 GLN A 35 -1.299 0.006 -12.370 1.00 52.40 N ATOM 0 H GLN A 35 -1.052 -1.932 -8.699 1.00 25.20 H new ATOM 0 HA GLN A 35 0.900 -0.041 -7.893 1.00 14.30 H new ATOM 0 HB2 GLN A 35 -1.714 0.085 -9.426 1.00 5.22 H new ATOM 0 HB3 GLN A 35 -0.781 1.532 -9.095 1.00 5.22 H new ATOM 0 HG2 GLN A 35 1.158 0.579 -10.272 1.00 44.10 H new ATOM 0 HG3 GLN A 35 0.276 -0.909 -10.556 1.00 44.10 H new ATOM 0 HE21 GLN A 35 -1.560 -0.909 -12.003 1.00 52.40 H new ATOM 0 HE22 GLN A 35 -1.718 0.347 -13.235 1.00 52.40 H new ATOM 390 N LEU A 36 -1.947 -0.035 -6.290 1.00 71.30 N ATOM 391 CA LEU A 36 -2.653 0.519 -5.140 1.00 55.50 C ATOM 392 C LEU A 36 -1.934 0.172 -3.841 1.00 64.50 C ATOM 393 O LEU A 36 -1.824 1.003 -2.939 1.00 21.10 O ATOM 394 CB LEU A 36 -4.090 -0.004 -5.097 1.00 54.10 C ATOM 395 CG LEU A 36 -4.978 0.449 -6.257 1.00 63.40 C ATOM 396 CD1 LEU A 36 -6.182 -0.470 -6.397 1.00 45.30 C ATOM 397 CD2 LEU A 36 -5.425 1.889 -6.054 1.00 54.50 C ATOM 0 H LEU A 36 -2.396 -0.850 -6.708 1.00 71.30 H new ATOM 0 HA LEU A 36 -2.672 1.604 -5.245 1.00 55.50 H new ATOM 0 HB2 LEU A 36 -4.064 -1.094 -5.083 1.00 54.10 H new ATOM 0 HB3 LEU A 36 -4.549 0.316 -4.161 1.00 54.10 H new ATOM 0 HG LEU A 36 -4.397 0.396 -7.178 1.00 63.40 H new ATOM 0 HD11 LEU A 36 -6.803 -0.133 -7.227 1.00 45.30 H new ATOM 0 HD12 LEU A 36 -5.842 -1.488 -6.588 1.00 45.30 H new ATOM 0 HD13 LEU A 36 -6.765 -0.449 -5.476 1.00 45.30 H new ATOM 0 HD21 LEU A 36 -6.056 2.195 -6.888 1.00 54.50 H new ATOM 0 HD22 LEU A 36 -5.989 1.967 -5.125 1.00 54.50 H new ATOM 0 HD23 LEU A 36 -4.551 2.538 -6.003 1.00 54.50 H new ATOM 409 N TYR A 37 -1.446 -1.061 -3.752 1.00 74.40 N ATOM 410 CA TYR A 37 -0.737 -1.518 -2.562 1.00 12.30 C ATOM 411 C TYR A 37 0.506 -0.671 -2.310 1.00 53.20 C ATOM 412 O TYR A 37 0.828 -0.349 -1.166 1.00 50.20 O ATOM 413 CB TYR A 37 -0.344 -2.989 -2.711 1.00 42.30 C ATOM 414 CG TYR A 37 -1.511 -3.943 -2.596 1.00 72.00 C ATOM 415 CD1 TYR A 37 -2.465 -3.786 -1.599 1.00 50.40 C ATOM 416 CD2 TYR A 37 -1.658 -5.001 -3.485 1.00 4.42 C ATOM 417 CE1 TYR A 37 -3.533 -4.657 -1.490 1.00 22.10 C ATOM 418 CE2 TYR A 37 -2.724 -5.875 -3.383 1.00 31.30 C ATOM 419 CZ TYR A 37 -3.658 -5.699 -2.384 1.00 64.30 C ATOM 420 OH TYR A 37 -4.720 -6.567 -2.280 1.00 50.40 O ATOM 0 H TYR A 37 -1.528 -1.761 -4.489 1.00 74.40 H new ATOM 0 HA TYR A 37 -1.406 -1.412 -1.708 1.00 12.30 H new ATOM 0 HB2 TYR A 37 0.137 -3.132 -3.679 1.00 42.30 H new ATOM 0 HB3 TYR A 37 0.394 -3.238 -1.949 1.00 42.30 H new ATOM 0 HD1 TYR A 37 -2.371 -2.970 -0.897 1.00 50.40 H new ATOM 0 HD2 TYR A 37 -0.928 -5.143 -4.268 1.00 4.42 H new ATOM 0 HE1 TYR A 37 -4.266 -4.522 -0.708 1.00 22.10 H new ATOM 0 HE2 TYR A 37 -2.825 -6.692 -4.082 1.00 31.30 H new ATOM 0 HH TYR A 37 -5.503 -6.181 -2.725 1.00 50.40 H new ATOM 430 N GLN A 38 1.200 -0.312 -3.385 1.00 40.10 N ATOM 431 CA GLN A 38 2.407 0.498 -3.280 1.00 12.50 C ATOM 432 C GLN A 38 2.077 1.907 -2.797 1.00 62.30 C ATOM 433 O GLN A 38 2.780 2.467 -1.956 1.00 60.00 O ATOM 434 CB GLN A 38 3.122 0.564 -4.631 1.00 24.40 C ATOM 435 CG GLN A 38 3.654 -0.779 -5.104 1.00 44.40 C ATOM 436 CD GLN A 38 4.153 -0.737 -6.535 1.00 13.40 C ATOM 437 OE1 GLN A 38 4.421 0.334 -7.080 1.00 51.20 O ATOM 438 NE2 GLN A 38 4.281 -1.906 -7.152 1.00 2.44 N ATOM 0 H GLN A 38 0.947 -0.570 -4.339 1.00 40.10 H new ATOM 0 HA GLN A 38 3.067 0.028 -2.550 1.00 12.50 H new ATOM 0 HB2 GLN A 38 2.433 0.956 -5.379 1.00 24.40 H new ATOM 0 HB3 GLN A 38 3.950 1.269 -4.560 1.00 24.40 H new ATOM 0 HG2 GLN A 38 4.466 -1.095 -4.449 1.00 44.40 H new ATOM 0 HG3 GLN A 38 2.866 -1.528 -5.020 1.00 44.40 H new ATOM 0 HE21 GLN A 38 4.047 -2.770 -6.662 1.00 2.44 H new ATOM 0 HE22 GLN A 38 4.613 -1.940 -8.116 1.00 2.44 H new ATOM 447 N HIS A 39 1.002 2.475 -3.335 1.00 43.10 N ATOM 448 CA HIS A 39 0.578 3.818 -2.959 1.00 42.00 C ATOM 449 C HIS A 39 0.242 3.887 -1.473 1.00 31.20 C ATOM 450 O HIS A 39 0.626 4.831 -0.783 1.00 5.41 O ATOM 451 CB HIS A 39 -0.635 4.244 -3.789 1.00 51.10 C ATOM 452 CG HIS A 39 -0.273 4.916 -5.076 1.00 64.40 C ATOM 453 ND1 HIS A 39 -1.197 5.548 -5.881 1.00 23.10 N ATOM 454 CD2 HIS A 39 0.922 5.054 -5.699 1.00 43.00 C ATOM 455 CE1 HIS A 39 -0.588 6.044 -6.943 1.00 2.41 C ATOM 456 NE2 HIS A 39 0.698 5.759 -6.856 1.00 23.40 N ATOM 0 H HIS A 39 0.409 2.026 -4.033 1.00 43.10 H new ATOM 0 HA HIS A 39 1.404 4.501 -3.158 1.00 42.00 H new ATOM 0 HB2 HIS A 39 -1.243 3.366 -4.006 1.00 51.10 H new ATOM 0 HB3 HIS A 39 -1.251 4.920 -3.196 1.00 51.10 H new ATOM 0 HD2 HIS A 39 1.873 4.679 -5.351 1.00 43.00 H new ATOM 0 HE1 HIS A 39 -1.062 6.590 -7.746 1.00 2.41 H new ATOM 0 HE2 HIS A 39 1.410 6.020 -7.538 1.00 23.40 H new ATOM 465 N ALA A 40 -0.477 2.880 -0.987 1.00 13.40 N ATOM 466 CA ALA A 40 -0.864 2.826 0.417 1.00 13.10 C ATOM 467 C ALA A 40 0.361 2.801 1.324 1.00 14.30 C ATOM 468 O ALA A 40 0.406 3.490 2.343 1.00 62.10 O ATOM 469 CB ALA A 40 -1.739 1.609 0.676 1.00 43.20 C ATOM 0 H ALA A 40 -0.803 2.091 -1.545 1.00 13.40 H new ATOM 0 HA ALA A 40 -1.434 3.726 0.646 1.00 13.10 H new ATOM 0 HB1 ALA A 40 -2.021 1.581 1.729 1.00 43.20 H new ATOM 0 HB2 ALA A 40 -2.637 1.669 0.061 1.00 43.20 H new ATOM 0 HB3 ALA A 40 -1.187 0.704 0.424 1.00 43.20 H new ATOM 475 N VAL A 41 1.355 2.003 0.946 1.00 73.20 N ATOM 476 CA VAL A 41 2.581 1.889 1.726 1.00 53.10 C ATOM 477 C VAL A 41 3.363 3.198 1.713 1.00 65.10 C ATOM 478 O VAL A 41 4.019 3.551 2.693 1.00 32.10 O ATOM 479 CB VAL A 41 3.484 0.759 1.193 1.00 51.30 C ATOM 480 CG1 VAL A 41 4.680 0.551 2.109 1.00 14.30 C ATOM 481 CG2 VAL A 41 2.692 -0.532 1.039 1.00 63.50 C ATOM 0 H VAL A 41 1.335 1.426 0.105 1.00 73.20 H new ATOM 0 HA VAL A 41 2.285 1.655 2.749 1.00 53.10 H new ATOM 0 HB VAL A 41 3.855 1.051 0.210 1.00 51.30 H new ATOM 0 HG11 VAL A 41 5.305 -0.251 1.715 1.00 14.30 H new ATOM 0 HG12 VAL A 41 5.262 1.471 2.163 1.00 14.30 H new ATOM 0 HG13 VAL A 41 4.332 0.283 3.107 1.00 14.30 H new ATOM 0 HG21 VAL A 41 3.347 -1.318 0.662 1.00 63.50 H new ATOM 0 HG22 VAL A 41 2.289 -0.829 2.007 1.00 63.50 H new ATOM 0 HG23 VAL A 41 1.873 -0.375 0.338 1.00 63.50 H new ATOM 491 N GLN A 42 3.290 3.914 0.595 1.00 52.00 N ATOM 492 CA GLN A 42 3.991 5.185 0.455 1.00 43.00 C ATOM 493 C GLN A 42 3.428 6.227 1.416 1.00 2.22 C ATOM 494 O GLN A 42 4.174 6.887 2.138 1.00 34.30 O ATOM 495 CB GLN A 42 3.885 5.693 -0.985 1.00 34.20 C ATOM 496 CG GLN A 42 4.891 5.056 -1.930 1.00 21.10 C ATOM 497 CD GLN A 42 4.878 5.689 -3.307 1.00 24.30 C ATOM 498 OE1 GLN A 42 3.843 6.164 -3.776 1.00 65.40 O ATOM 499 NE2 GLN A 42 6.032 5.700 -3.965 1.00 5.40 N ATOM 0 H GLN A 42 2.753 3.636 -0.226 1.00 52.00 H new ATOM 0 HA GLN A 42 5.040 5.021 0.700 1.00 43.00 H new ATOM 0 HB2 GLN A 42 2.878 5.501 -1.356 1.00 34.20 H new ATOM 0 HB3 GLN A 42 4.026 6.774 -0.992 1.00 34.20 H new ATOM 0 HG2 GLN A 42 5.890 5.143 -1.503 1.00 21.10 H new ATOM 0 HG3 GLN A 42 4.675 3.992 -2.021 1.00 21.10 H new ATOM 0 HE21 GLN A 42 6.866 5.295 -3.539 1.00 5.40 H new ATOM 0 HE22 GLN A 42 6.084 6.113 -4.896 1.00 5.40 H new ATOM 508 N TYR A 43 2.106 6.368 1.420 1.00 65.10 N ATOM 509 CA TYR A 43 1.443 7.329 2.293 1.00 14.10 C ATOM 510 C TYR A 43 1.552 6.903 3.754 1.00 44.20 C ATOM 511 O TYR A 43 1.723 7.737 4.643 1.00 34.30 O ATOM 512 CB TYR A 43 -0.029 7.475 1.901 1.00 1.12 C ATOM 513 CG TYR A 43 -0.233 7.976 0.489 1.00 52.10 C ATOM 514 CD1 TYR A 43 0.142 9.264 0.128 1.00 32.50 C ATOM 515 CD2 TYR A 43 -0.800 7.161 -0.483 1.00 62.40 C ATOM 516 CE1 TYR A 43 -0.043 9.726 -1.161 1.00 20.00 C ATOM 517 CE2 TYR A 43 -0.987 7.616 -1.774 1.00 73.30 C ATOM 518 CZ TYR A 43 -0.608 8.898 -2.108 1.00 43.20 C ATOM 519 OH TYR A 43 -0.794 9.355 -3.393 1.00 45.20 O ATOM 0 H TYR A 43 1.474 5.829 0.829 1.00 65.10 H new ATOM 0 HA TYR A 43 1.941 8.292 2.176 1.00 14.10 H new ATOM 0 HB2 TYR A 43 -0.523 6.509 2.010 1.00 1.12 H new ATOM 0 HB3 TYR A 43 -0.515 8.161 2.595 1.00 1.12 H new ATOM 0 HD1 TYR A 43 0.585 9.915 0.867 1.00 32.50 H new ATOM 0 HD2 TYR A 43 -1.099 6.156 -0.225 1.00 62.40 H new ATOM 0 HE1 TYR A 43 0.253 10.730 -1.425 1.00 20.00 H new ATOM 0 HE2 TYR A 43 -1.428 6.970 -2.518 1.00 73.30 H new ATOM 0 HH TYR A 43 -1.202 8.648 -3.936 1.00 45.20 H new ATOM 529 N PHE A 44 1.451 5.600 3.994 1.00 14.40 N ATOM 530 CA PHE A 44 1.538 5.063 5.347 1.00 15.00 C ATOM 531 C PHE A 44 2.903 5.356 5.962 1.00 21.50 C ATOM 532 O PHE A 44 2.997 5.970 7.025 1.00 62.50 O ATOM 533 CB PHE A 44 1.284 3.555 5.337 1.00 64.20 C ATOM 534 CG PHE A 44 -0.171 3.191 5.424 1.00 51.10 C ATOM 535 CD1 PHE A 44 -0.993 3.786 6.368 1.00 33.30 C ATOM 536 CD2 PHE A 44 -0.717 2.254 4.561 1.00 34.40 C ATOM 537 CE1 PHE A 44 -2.332 3.454 6.450 1.00 71.30 C ATOM 538 CE2 PHE A 44 -2.055 1.917 4.639 1.00 12.40 C ATOM 539 CZ PHE A 44 -2.863 2.518 5.584 1.00 54.30 C ATOM 0 H PHE A 44 1.309 4.896 3.269 1.00 14.40 H new ATOM 0 HA PHE A 44 0.774 5.549 5.954 1.00 15.00 H new ATOM 0 HB2 PHE A 44 1.703 3.130 4.425 1.00 64.20 H new ATOM 0 HB3 PHE A 44 1.815 3.100 6.173 1.00 64.20 H new ATOM 0 HD1 PHE A 44 -0.582 4.518 7.048 1.00 33.30 H new ATOM 0 HD2 PHE A 44 -0.090 1.782 3.819 1.00 34.40 H new ATOM 0 HE1 PHE A 44 -2.962 3.925 7.190 1.00 71.30 H new ATOM 0 HE2 PHE A 44 -2.468 1.184 3.962 1.00 12.40 H new ATOM 0 HZ PHE A 44 -3.909 2.256 5.646 1.00 54.30 H new ATOM 549 N LEU A 45 3.958 4.914 5.286 1.00 1.42 N ATOM 550 CA LEU A 45 5.318 5.129 5.766 1.00 61.30 C ATOM 551 C LEU A 45 5.624 6.618 5.883 1.00 24.40 C ATOM 552 O LEU A 45 6.394 7.038 6.747 1.00 61.00 O ATOM 553 CB LEU A 45 6.324 4.462 4.826 1.00 52.00 C ATOM 554 CG LEU A 45 6.207 2.940 4.726 1.00 33.40 C ATOM 555 CD1 LEU A 45 7.194 2.394 3.706 1.00 14.40 C ATOM 556 CD2 LEU A 45 6.434 2.299 6.087 1.00 23.00 C ATOM 0 H LEU A 45 3.897 4.405 4.404 1.00 1.42 H new ATOM 0 HA LEU A 45 5.403 4.680 6.756 1.00 61.30 H new ATOM 0 HB2 LEU A 45 6.203 4.887 3.829 1.00 52.00 H new ATOM 0 HB3 LEU A 45 7.331 4.712 5.160 1.00 52.00 H new ATOM 0 HG LEU A 45 5.199 2.693 4.393 1.00 33.40 H new ATOM 0 HD11 LEU A 45 7.096 1.310 3.649 1.00 14.40 H new ATOM 0 HD12 LEU A 45 6.985 2.829 2.729 1.00 14.40 H new ATOM 0 HD13 LEU A 45 8.209 2.651 4.008 1.00 14.40 H new ATOM 0 HD21 LEU A 45 6.347 1.216 5.998 1.00 23.00 H new ATOM 0 HD22 LEU A 45 7.430 2.555 6.448 1.00 23.00 H new ATOM 0 HD23 LEU A 45 5.687 2.666 6.791 1.00 23.00 H new ATOM 568 N HIS A 46 5.017 7.413 5.007 1.00 1.22 N ATOM 569 CA HIS A 46 5.225 8.856 5.013 1.00 21.10 C ATOM 570 C HIS A 46 4.760 9.468 6.330 1.00 10.30 C ATOM 571 O HIS A 46 5.358 10.421 6.829 1.00 42.40 O ATOM 572 CB HIS A 46 4.479 9.504 3.845 1.00 74.20 C ATOM 573 CG HIS A 46 4.712 10.978 3.730 1.00 52.20 C ATOM 574 ND1 HIS A 46 5.738 11.523 2.987 1.00 11.50 N ATOM 575 CD2 HIS A 46 4.044 12.026 4.270 1.00 30.40 C ATOM 576 CE1 HIS A 46 5.692 12.841 3.075 1.00 73.40 C ATOM 577 NE2 HIS A 46 4.673 13.171 3.847 1.00 42.00 N ATOM 0 H HIS A 46 4.378 7.082 4.285 1.00 1.22 H new ATOM 0 HA HIS A 46 6.293 9.044 4.903 1.00 21.10 H new ATOM 0 HB2 HIS A 46 4.786 9.022 2.917 1.00 74.20 H new ATOM 0 HB3 HIS A 46 3.411 9.321 3.961 1.00 74.20 H new ATOM 0 HD2 HIS A 46 3.178 11.971 4.913 1.00 30.40 H new ATOM 0 HE1 HIS A 46 6.372 13.530 2.597 1.00 73.40 H new ATOM 0 HE2 HIS A 46 4.398 14.123 4.090 1.00 42.00 H new ATOM 586 N VAL A 47 3.688 8.914 6.888 1.00 52.00 N ATOM 587 CA VAL A 47 3.143 9.405 8.148 1.00 41.30 C ATOM 588 C VAL A 47 3.957 8.897 9.333 1.00 60.20 C ATOM 589 O VAL A 47 4.246 9.645 10.267 1.00 41.00 O ATOM 590 CB VAL A 47 1.673 8.980 8.328 1.00 15.00 C ATOM 591 CG1 VAL A 47 1.075 9.630 9.567 1.00 44.40 C ATOM 592 CG2 VAL A 47 0.858 9.327 7.090 1.00 23.10 C ATOM 0 H VAL A 47 3.180 8.125 6.487 1.00 52.00 H new ATOM 0 HA VAL A 47 3.196 10.493 8.114 1.00 41.30 H new ATOM 0 HB VAL A 47 1.643 7.899 8.463 1.00 15.00 H new ATOM 0 HG11 VAL A 47 0.037 9.317 9.677 1.00 44.40 H new ATOM 0 HG12 VAL A 47 1.641 9.324 10.447 1.00 44.40 H new ATOM 0 HG13 VAL A 47 1.119 10.714 9.466 1.00 44.40 H new ATOM 0 HG21 VAL A 47 -0.177 9.019 7.238 1.00 23.10 H new ATOM 0 HG22 VAL A 47 0.895 10.403 6.920 1.00 23.10 H new ATOM 0 HG23 VAL A 47 1.271 8.808 6.225 1.00 23.10 H new ATOM 602 N VAL A 48 4.323 7.620 9.289 1.00 74.10 N ATOM 603 CA VAL A 48 5.103 7.011 10.359 1.00 61.10 C ATOM 604 C VAL A 48 6.508 7.603 10.419 1.00 4.13 C ATOM 605 O VAL A 48 7.050 7.831 11.501 1.00 35.20 O ATOM 606 CB VAL A 48 5.209 5.485 10.180 1.00 44.50 C ATOM 607 CG1 VAL A 48 5.851 4.847 11.402 1.00 51.40 C ATOM 608 CG2 VAL A 48 3.838 4.883 9.912 1.00 43.30 C ATOM 0 H VAL A 48 4.092 6.987 8.523 1.00 74.10 H new ATOM 0 HA VAL A 48 4.580 7.224 11.292 1.00 61.10 H new ATOM 0 HB VAL A 48 5.844 5.282 9.318 1.00 44.50 H new ATOM 0 HG11 VAL A 48 5.917 3.769 11.257 1.00 51.40 H new ATOM 0 HG12 VAL A 48 6.851 5.256 11.543 1.00 51.40 H new ATOM 0 HG13 VAL A 48 5.245 5.058 12.283 1.00 51.40 H new ATOM 0 HG21 VAL A 48 3.932 3.804 9.788 1.00 43.30 H new ATOM 0 HG22 VAL A 48 3.177 5.095 10.752 1.00 43.30 H new ATOM 0 HG23 VAL A 48 3.421 5.317 9.003 1.00 43.30 H new ATOM 618 N LYS A 49 7.091 7.849 9.251 1.00 63.30 N ATOM 619 CA LYS A 49 8.433 8.414 9.171 1.00 0.11 C ATOM 620 C LYS A 49 8.428 9.886 9.570 1.00 20.30 C ATOM 621 O LYS A 49 9.399 10.390 10.135 1.00 20.00 O ATOM 622 CB LYS A 49 8.990 8.260 7.755 1.00 54.00 C ATOM 623 CG LYS A 49 10.502 8.112 7.709 1.00 14.50 C ATOM 624 CD LYS A 49 11.193 9.466 7.687 1.00 32.10 C ATOM 625 CE LYS A 49 11.364 9.982 6.267 1.00 22.40 C ATOM 626 NZ LYS A 49 12.654 10.703 6.088 1.00 1.42 N ATOM 0 H LYS A 49 6.656 7.666 8.347 1.00 63.30 H new ATOM 0 HA LYS A 49 9.071 7.869 9.867 1.00 0.11 H new ATOM 0 HB2 LYS A 49 8.533 7.388 7.287 1.00 54.00 H new ATOM 0 HB3 LYS A 49 8.700 9.128 7.163 1.00 54.00 H new ATOM 0 HG2 LYS A 49 10.840 7.544 8.576 1.00 14.50 H new ATOM 0 HG3 LYS A 49 10.786 7.543 6.824 1.00 14.50 H new ATOM 0 HD2 LYS A 49 10.611 10.182 8.268 1.00 32.10 H new ATOM 0 HD3 LYS A 49 12.169 9.385 8.166 1.00 32.10 H new ATOM 0 HE2 LYS A 49 11.316 9.146 5.569 1.00 22.40 H new ATOM 0 HE3 LYS A 49 10.538 10.650 6.022 1.00 22.40 H new ATOM 0 HZ1 LYS A 49 12.731 11.038 5.107 1.00 1.42 H new ATOM 0 HZ2 LYS A 49 12.690 11.516 6.736 1.00 1.42 H new ATOM 0 HZ3 LYS A 49 13.444 10.059 6.297 1.00 1.42 H new ATOM 640 N TYR A 50 7.329 10.571 9.272 1.00 41.40 N ATOM 641 CA TYR A 50 7.197 11.986 9.600 1.00 23.30 C ATOM 642 C TYR A 50 6.669 12.169 11.019 1.00 45.30 C ATOM 643 O TYR A 50 7.386 12.635 11.904 1.00 23.30 O ATOM 644 CB TYR A 50 6.266 12.678 8.604 1.00 31.30 C ATOM 645 CG TYR A 50 6.928 13.013 7.286 1.00 11.50 C ATOM 646 CD1 TYR A 50 7.651 12.054 6.587 1.00 61.30 C ATOM 647 CD2 TYR A 50 6.832 14.288 6.743 1.00 50.40 C ATOM 648 CE1 TYR A 50 8.258 12.357 5.383 1.00 21.30 C ATOM 649 CE2 TYR A 50 7.436 14.598 5.539 1.00 4.13 C ATOM 650 CZ TYR A 50 8.147 13.629 4.863 1.00 5.24 C ATOM 651 OH TYR A 50 8.750 13.934 3.665 1.00 42.40 O ATOM 0 H TYR A 50 6.517 10.169 8.804 1.00 41.40 H new ATOM 0 HA TYR A 50 8.186 12.441 9.538 1.00 23.30 H new ATOM 0 HB2 TYR A 50 5.407 12.035 8.416 1.00 31.30 H new ATOM 0 HB3 TYR A 50 5.885 13.595 9.053 1.00 31.30 H new ATOM 0 HD1 TYR A 50 7.740 11.056 6.991 1.00 61.30 H new ATOM 0 HD2 TYR A 50 6.276 15.049 7.270 1.00 50.40 H new ATOM 0 HE1 TYR A 50 8.817 11.601 4.852 1.00 21.30 H new ATOM 0 HE2 TYR A 50 7.352 15.594 5.130 1.00 4.13 H new ATOM 0 HH TYR A 50 8.574 14.871 3.440 1.00 42.40 H new ATOM 661 N GLU A 51 5.410 11.798 11.229 1.00 25.20 N ATOM 662 CA GLU A 51 4.785 11.921 12.540 1.00 43.10 C ATOM 663 C GLU A 51 3.470 11.150 12.591 1.00 12.10 C ATOM 664 O GLU A 51 2.427 11.655 12.174 1.00 1.02 O ATOM 665 CB GLU A 51 4.540 13.393 12.876 1.00 40.30 C ATOM 666 CG GLU A 51 3.938 14.186 11.728 1.00 34.20 C ATOM 667 CD GLU A 51 3.642 15.625 12.106 1.00 70.20 C ATOM 668 OE1 GLU A 51 4.568 16.317 12.579 1.00 13.10 O ATOM 669 OE2 GLU A 51 2.484 16.059 11.929 1.00 61.50 O ATOM 0 H GLU A 51 4.803 11.410 10.507 1.00 25.20 H new ATOM 0 HA GLU A 51 5.464 11.495 13.279 1.00 43.10 H new ATOM 0 HB2 GLU A 51 3.875 13.455 13.737 1.00 40.30 H new ATOM 0 HB3 GLU A 51 5.484 13.852 13.168 1.00 40.30 H new ATOM 0 HG2 GLU A 51 4.624 14.170 10.881 1.00 34.20 H new ATOM 0 HG3 GLU A 51 3.017 13.703 11.401 1.00 34.20 H new ATOM 676 N ALA A 52 3.526 9.926 13.104 1.00 25.00 N ATOM 677 CA ALA A 52 2.340 9.085 13.209 1.00 71.30 C ATOM 678 C ALA A 52 1.331 9.680 14.185 1.00 32.20 C ATOM 679 O ALA A 52 1.477 10.820 14.626 1.00 2.00 O ATOM 680 CB ALA A 52 2.727 7.678 13.638 1.00 60.10 C ATOM 0 H ALA A 52 4.381 9.494 13.454 1.00 25.00 H new ATOM 0 HA ALA A 52 1.870 9.036 12.227 1.00 71.30 H new ATOM 0 HB1 ALA A 52 1.831 7.061 13.712 1.00 60.10 H new ATOM 0 HB2 ALA A 52 3.405 7.247 12.901 1.00 60.10 H new ATOM 0 HB3 ALA A 52 3.222 7.717 14.608 1.00 60.10 H new ATOM 686 N GLN A 53 0.308 8.900 14.519 1.00 60.30 N ATOM 687 CA GLN A 53 -0.726 9.350 15.444 1.00 10.40 C ATOM 688 C GLN A 53 -0.338 9.041 16.886 1.00 63.20 C ATOM 689 O GLN A 53 -0.562 9.849 17.787 1.00 24.40 O ATOM 690 CB GLN A 53 -2.063 8.686 15.110 1.00 31.30 C ATOM 691 CG GLN A 53 -2.601 9.058 13.738 1.00 4.21 C ATOM 692 CD GLN A 53 -2.180 8.077 12.661 1.00 25.00 C ATOM 693 OE1 GLN A 53 -1.423 8.421 11.753 1.00 63.00 O ATOM 694 NE2 GLN A 53 -2.670 6.847 12.757 1.00 63.40 N ATOM 0 H GLN A 53 0.173 7.954 14.163 1.00 60.30 H new ATOM 0 HA GLN A 53 -0.828 10.430 15.338 1.00 10.40 H new ATOM 0 HB2 GLN A 53 -1.945 7.604 15.164 1.00 31.30 H new ATOM 0 HB3 GLN A 53 -2.797 8.965 15.867 1.00 31.30 H new ATOM 0 HG2 GLN A 53 -3.689 9.103 13.778 1.00 4.21 H new ATOM 0 HG3 GLN A 53 -2.251 10.056 13.473 1.00 4.21 H new ATOM 0 HE21 GLN A 53 -3.294 6.605 13.527 1.00 63.40 H new ATOM 0 HE22 GLN A 53 -2.422 6.144 12.061 1.00 63.40 H new ATOM 703 N GLY A 54 0.246 7.866 17.097 1.00 60.20 N ATOM 704 CA GLY A 54 0.656 7.471 18.432 1.00 42.10 C ATOM 705 C GLY A 54 1.475 6.195 18.433 1.00 12.50 C ATOM 706 O GLY A 54 1.758 5.630 17.377 1.00 4.43 O ATOM 0 H GLY A 54 0.443 7.181 16.368 1.00 60.20 H new ATOM 0 HA2 GLY A 54 1.240 8.274 18.882 1.00 42.10 H new ATOM 0 HA3 GLY A 54 -0.228 7.332 19.054 1.00 42.10 H new ATOM 710 N ASP A 55 1.857 5.741 19.623 1.00 61.10 N ATOM 711 CA ASP A 55 2.649 4.524 19.757 1.00 23.40 C ATOM 712 C ASP A 55 1.900 3.322 19.192 1.00 65.30 C ATOM 713 O ASP A 55 2.445 2.557 18.396 1.00 24.30 O ATOM 714 CB ASP A 55 2.998 4.277 21.226 1.00 55.40 C ATOM 715 CG ASP A 55 1.790 4.399 22.135 1.00 3.24 C ATOM 716 OD1 ASP A 55 1.151 5.472 22.133 1.00 34.00 O ATOM 717 OD2 ASP A 55 1.484 3.422 22.850 1.00 4.14 O ATOM 0 H ASP A 55 1.631 6.197 20.507 1.00 61.10 H new ATOM 0 HA ASP A 55 3.570 4.655 19.189 1.00 23.40 H new ATOM 0 HB2 ASP A 55 3.430 3.282 21.332 1.00 55.40 H new ATOM 0 HB3 ASP A 55 3.760 4.990 21.541 1.00 55.40 H new ATOM 722 N LYS A 56 0.648 3.162 19.608 1.00 20.40 N ATOM 723 CA LYS A 56 -0.176 2.053 19.142 1.00 3.34 C ATOM 724 C LYS A 56 -0.529 2.219 17.668 1.00 32.50 C ATOM 725 O LYS A 56 -0.672 1.237 16.939 1.00 32.40 O ATOM 726 CB LYS A 56 -1.454 1.954 19.977 1.00 60.20 C ATOM 727 CG LYS A 56 -2.110 0.584 19.926 1.00 72.40 C ATOM 728 CD LYS A 56 -3.626 0.689 19.976 1.00 21.00 C ATOM 729 CE LYS A 56 -4.268 -0.655 20.278 1.00 30.20 C ATOM 730 NZ LYS A 56 -5.699 -0.513 20.665 1.00 12.10 N ATOM 0 H LYS A 56 0.182 3.786 20.267 1.00 20.40 H new ATOM 0 HA LYS A 56 0.397 1.133 19.258 1.00 3.34 H new ATOM 0 HB2 LYS A 56 -1.220 2.197 21.014 1.00 60.20 H new ATOM 0 HB3 LYS A 56 -2.166 2.702 19.627 1.00 60.20 H new ATOM 0 HG2 LYS A 56 -1.810 0.070 19.013 1.00 72.40 H new ATOM 0 HG3 LYS A 56 -1.758 -0.020 20.762 1.00 72.40 H new ATOM 0 HD2 LYS A 56 -3.917 1.412 20.738 1.00 21.00 H new ATOM 0 HD3 LYS A 56 -3.997 1.065 19.023 1.00 21.00 H new ATOM 0 HE2 LYS A 56 -4.191 -1.299 19.402 1.00 30.20 H new ATOM 0 HE3 LYS A 56 -3.721 -1.146 21.083 1.00 30.20 H new ATOM 0 HZ1 LYS A 56 -6.100 -1.452 20.863 1.00 12.10 H new ATOM 0 HZ2 LYS A 56 -5.771 0.080 21.516 1.00 12.10 H new ATOM 0 HZ3 LYS A 56 -6.227 -0.068 19.887 1.00 12.10 H new ATOM 744 N ALA A 57 -0.670 3.468 17.235 1.00 73.30 N ATOM 745 CA ALA A 57 -1.006 3.763 15.848 1.00 34.20 C ATOM 746 C ALA A 57 0.121 3.345 14.909 1.00 20.50 C ATOM 747 O ALA A 57 -0.121 2.749 13.860 1.00 73.40 O ATOM 748 CB ALA A 57 -1.311 5.244 15.683 1.00 54.30 C ATOM 0 H ALA A 57 -0.557 4.292 17.826 1.00 73.30 H new ATOM 0 HA ALA A 57 -1.894 3.189 15.585 1.00 34.20 H new ATOM 0 HB1 ALA A 57 -1.560 5.450 14.642 1.00 54.30 H new ATOM 0 HB2 ALA A 57 -2.154 5.515 16.319 1.00 54.30 H new ATOM 0 HB3 ALA A 57 -0.437 5.830 15.970 1.00 54.30 H new ATOM 754 N LYS A 58 1.353 3.661 15.294 1.00 61.00 N ATOM 755 CA LYS A 58 2.517 3.319 14.487 1.00 1.43 C ATOM 756 C LYS A 58 2.625 1.809 14.301 1.00 13.50 C ATOM 757 O LYS A 58 2.869 1.325 13.196 1.00 21.40 O ATOM 758 CB LYS A 58 3.792 3.856 15.139 1.00 41.40 C ATOM 759 CG LYS A 58 3.823 5.372 15.256 1.00 5.44 C ATOM 760 CD LYS A 58 4.678 5.822 16.429 1.00 15.10 C ATOM 761 CE LYS A 58 4.526 7.312 16.689 1.00 22.50 C ATOM 762 NZ LYS A 58 5.143 7.716 17.983 1.00 23.10 N ATOM 0 H LYS A 58 1.570 4.154 16.160 1.00 61.00 H new ATOM 0 HA LYS A 58 2.396 3.781 13.507 1.00 1.43 H new ATOM 0 HB2 LYS A 58 3.893 3.421 16.133 1.00 41.40 H new ATOM 0 HB3 LYS A 58 4.654 3.527 14.558 1.00 41.40 H new ATOM 0 HG2 LYS A 58 4.214 5.801 14.334 1.00 5.44 H new ATOM 0 HG3 LYS A 58 2.808 5.750 15.378 1.00 5.44 H new ATOM 0 HD2 LYS A 58 4.395 5.265 17.322 1.00 15.10 H new ATOM 0 HD3 LYS A 58 5.724 5.591 16.228 1.00 15.10 H new ATOM 0 HE2 LYS A 58 4.989 7.871 15.876 1.00 22.50 H new ATOM 0 HE3 LYS A 58 3.468 7.574 16.694 1.00 22.50 H new ATOM 0 HZ1 LYS A 58 5.018 8.739 18.123 1.00 23.10 H new ATOM 0 HZ2 LYS A 58 4.685 7.201 18.762 1.00 23.10 H new ATOM 0 HZ3 LYS A 58 6.158 7.490 17.969 1.00 23.10 H new ATOM 776 N GLN A 59 2.443 1.069 15.391 1.00 54.00 N ATOM 777 CA GLN A 59 2.520 -0.386 15.349 1.00 72.20 C ATOM 778 C GLN A 59 1.480 -0.959 14.390 1.00 30.20 C ATOM 779 O GLN A 59 1.711 -1.983 13.747 1.00 44.10 O ATOM 780 CB GLN A 59 2.318 -0.969 16.750 1.00 44.50 C ATOM 781 CG GLN A 59 3.334 -2.037 17.116 1.00 22.10 C ATOM 782 CD GLN A 59 2.776 -3.441 16.989 1.00 31.40 C ATOM 783 OE1 GLN A 59 1.915 -3.706 16.149 1.00 61.10 O ATOM 784 NE2 GLN A 59 3.264 -4.350 17.825 1.00 13.30 N ATOM 0 H GLN A 59 2.241 1.454 16.314 1.00 54.00 H new ATOM 0 HA GLN A 59 3.511 -0.663 14.988 1.00 72.20 H new ATOM 0 HB2 GLN A 59 2.372 -0.163 17.481 1.00 44.50 H new ATOM 0 HB3 GLN A 59 1.316 -1.394 16.817 1.00 44.50 H new ATOM 0 HG2 GLN A 59 4.208 -1.938 16.472 1.00 22.10 H new ATOM 0 HG3 GLN A 59 3.672 -1.876 18.140 1.00 22.10 H new ATOM 0 HE21 GLN A 59 3.977 -4.087 18.505 1.00 13.30 H new ATOM 0 HE22 GLN A 59 2.926 -5.312 17.787 1.00 13.30 H new ATOM 793 N SER A 60 0.335 -0.290 14.299 1.00 23.40 N ATOM 794 CA SER A 60 -0.740 -0.732 13.418 1.00 2.21 C ATOM 795 C SER A 60 -0.332 -0.602 11.954 1.00 65.30 C ATOM 796 O SER A 60 -0.605 -1.486 11.142 1.00 15.10 O ATOM 797 CB SER A 60 -2.009 0.081 13.680 1.00 23.40 C ATOM 798 OG SER A 60 -3.137 -0.522 13.070 1.00 61.20 O ATOM 0 H SER A 60 0.128 0.560 14.824 1.00 23.40 H new ATOM 0 HA SER A 60 -0.940 -1.783 13.629 1.00 2.21 H new ATOM 0 HB2 SER A 60 -2.175 0.166 14.754 1.00 23.40 H new ATOM 0 HB3 SER A 60 -1.882 1.093 13.296 1.00 23.40 H new ATOM 0 HG SER A 60 -3.935 0.016 13.254 1.00 61.20 H new ATOM 804 N ILE A 61 0.322 0.507 11.624 1.00 71.20 N ATOM 805 CA ILE A 61 0.768 0.753 10.258 1.00 74.50 C ATOM 806 C ILE A 61 1.953 -0.137 9.899 1.00 15.30 C ATOM 807 O ILE A 61 2.096 -0.565 8.753 1.00 3.14 O ATOM 808 CB ILE A 61 1.166 2.227 10.053 1.00 21.10 C ATOM 809 CG1 ILE A 61 0.067 3.153 10.577 1.00 43.10 C ATOM 810 CG2 ILE A 61 1.443 2.503 8.583 1.00 52.40 C ATOM 811 CD1 ILE A 61 0.401 4.623 10.446 1.00 14.20 C ATOM 0 H ILE A 61 0.555 1.249 12.284 1.00 71.20 H new ATOM 0 HA ILE A 61 -0.072 0.518 9.604 1.00 74.50 H new ATOM 0 HB ILE A 61 2.078 2.422 10.616 1.00 21.10 H new ATOM 0 HG12 ILE A 61 -0.857 2.949 10.036 1.00 43.10 H new ATOM 0 HG13 ILE A 61 -0.121 2.924 11.626 1.00 43.10 H new ATOM 0 HG21 ILE A 61 1.723 3.549 8.456 1.00 52.40 H new ATOM 0 HG22 ILE A 61 2.258 1.865 8.240 1.00 52.40 H new ATOM 0 HG23 ILE A 61 0.547 2.293 7.998 1.00 52.40 H new ATOM 0 HD11 ILE A 61 -0.423 5.220 10.837 1.00 14.20 H new ATOM 0 HD12 ILE A 61 1.307 4.842 11.010 1.00 14.20 H new ATOM 0 HD13 ILE A 61 0.560 4.868 9.396 1.00 14.20 H new ATOM 823 N ARG A 62 2.801 -0.411 10.885 1.00 73.40 N ATOM 824 CA ARG A 62 3.975 -1.251 10.672 1.00 64.40 C ATOM 825 C ARG A 62 3.569 -2.645 10.205 1.00 30.20 C ATOM 826 O ARG A 62 4.156 -3.194 9.273 1.00 23.20 O ATOM 827 CB ARG A 62 4.796 -1.350 11.959 1.00 41.10 C ATOM 828 CG ARG A 62 5.749 -0.184 12.164 1.00 40.30 C ATOM 829 CD ARG A 62 6.775 -0.486 13.243 1.00 1.31 C ATOM 830 NE ARG A 62 7.762 -1.468 12.801 1.00 73.20 N ATOM 831 CZ ARG A 62 8.943 -1.650 13.388 1.00 21.10 C ATOM 832 NH1 ARG A 62 9.287 -0.919 14.442 1.00 62.30 N ATOM 833 NH2 ARG A 62 9.781 -2.565 12.922 1.00 24.20 N ATOM 0 H ARG A 62 2.698 -0.064 11.839 1.00 73.40 H new ATOM 0 HA ARG A 62 4.585 -0.791 9.894 1.00 64.40 H new ATOM 0 HB2 ARG A 62 4.117 -1.407 12.810 1.00 41.10 H new ATOM 0 HB3 ARG A 62 5.368 -2.278 11.945 1.00 41.10 H new ATOM 0 HG2 ARG A 62 6.260 0.039 11.227 1.00 40.30 H new ATOM 0 HG3 ARG A 62 5.183 0.706 12.438 1.00 40.30 H new ATOM 0 HD2 ARG A 62 7.283 0.435 13.528 1.00 1.31 H new ATOM 0 HD3 ARG A 62 6.267 -0.858 14.132 1.00 1.31 H new ATOM 0 HE ARG A 62 7.533 -2.049 11.995 1.00 73.20 H new ATOM 0 HH11 ARG A 62 8.645 -0.214 14.805 1.00 62.30 H new ATOM 0 HH12 ARG A 62 10.193 -1.062 14.888 1.00 62.30 H new ATOM 0 HH21 ARG A 62 9.521 -3.130 12.113 1.00 24.20 H new ATOM 0 HH22 ARG A 62 10.686 -2.704 13.372 1.00 24.20 H new ATOM 847 N ALA A 63 2.560 -3.212 10.859 1.00 51.10 N ATOM 848 CA ALA A 63 2.075 -4.541 10.510 1.00 20.00 C ATOM 849 C ALA A 63 1.381 -4.534 9.152 1.00 41.30 C ATOM 850 O ALA A 63 1.473 -5.497 8.391 1.00 55.10 O ATOM 851 CB ALA A 63 1.129 -5.056 11.584 1.00 41.20 C ATOM 0 H ALA A 63 2.063 -2.771 11.633 1.00 51.10 H new ATOM 0 HA ALA A 63 2.934 -5.209 10.446 1.00 20.00 H new ATOM 0 HB1 ALA A 63 0.774 -6.050 11.310 1.00 41.20 H new ATOM 0 HB2 ALA A 63 1.655 -5.108 12.537 1.00 41.20 H new ATOM 0 HB3 ALA A 63 0.279 -4.380 11.675 1.00 41.20 H new ATOM 857 N LYS A 64 0.688 -3.440 8.854 1.00 74.50 N ATOM 858 CA LYS A 64 -0.021 -3.306 7.587 1.00 20.50 C ATOM 859 C LYS A 64 0.954 -3.054 6.442 1.00 75.30 C ATOM 860 O LYS A 64 0.820 -3.627 5.361 1.00 53.20 O ATOM 861 CB LYS A 64 -1.039 -2.167 7.665 1.00 50.30 C ATOM 862 CG LYS A 64 -2.163 -2.423 8.656 1.00 51.30 C ATOM 863 CD LYS A 64 -2.626 -1.135 9.318 1.00 21.20 C ATOM 864 CE LYS A 64 -3.623 -0.389 8.448 1.00 4.50 C ATOM 865 NZ LYS A 64 -5.014 -0.880 8.650 1.00 21.00 N ATOM 0 H LYS A 64 0.602 -2.634 9.473 1.00 74.50 H new ATOM 0 HA LYS A 64 -0.547 -4.241 7.394 1.00 20.50 H new ATOM 0 HB2 LYS A 64 -0.523 -1.248 7.943 1.00 50.30 H new ATOM 0 HB3 LYS A 64 -1.468 -2.005 6.676 1.00 50.30 H new ATOM 0 HG2 LYS A 64 -3.003 -2.892 8.143 1.00 51.30 H new ATOM 0 HG3 LYS A 64 -1.824 -3.124 9.419 1.00 51.30 H new ATOM 0 HD2 LYS A 64 -3.082 -1.363 10.281 1.00 21.20 H new ATOM 0 HD3 LYS A 64 -1.765 -0.497 9.516 1.00 21.20 H new ATOM 0 HE2 LYS A 64 -3.578 0.676 8.676 1.00 4.50 H new ATOM 0 HE3 LYS A 64 -3.347 -0.503 7.400 1.00 4.50 H new ATOM 0 HZ1 LYS A 64 -5.663 -0.345 8.038 1.00 21.00 H new ATOM 0 HZ2 LYS A 64 -5.064 -1.890 8.409 1.00 21.00 H new ATOM 0 HZ3 LYS A 64 -5.288 -0.748 9.645 1.00 21.00 H new ATOM 879 N CYS A 65 1.936 -2.192 6.687 1.00 41.00 N ATOM 880 CA CYS A 65 2.935 -1.864 5.676 1.00 3.34 C ATOM 881 C CYS A 65 3.705 -3.109 5.249 1.00 41.30 C ATOM 882 O CYS A 65 4.139 -3.219 4.102 1.00 41.10 O ATOM 883 CB CYS A 65 3.905 -0.809 6.211 1.00 51.40 C ATOM 884 SG CYS A 65 3.356 0.895 5.955 1.00 51.10 S ATOM 0 H CYS A 65 2.061 -1.708 7.576 1.00 41.00 H new ATOM 0 HA CYS A 65 2.417 -1.463 4.805 1.00 3.34 H new ATOM 0 HB2 CYS A 65 4.054 -0.975 7.278 1.00 51.40 H new ATOM 0 HB3 CYS A 65 4.874 -0.944 5.729 1.00 51.40 H new ATOM 0 HG CYS A 65 3.012 1.058 4.712 1.00 51.10 H new ATOM 890 N THR A 66 3.871 -4.044 6.178 1.00 74.40 N ATOM 891 CA THR A 66 4.589 -5.282 5.897 1.00 30.20 C ATOM 892 C THR A 66 3.670 -6.306 5.238 1.00 50.30 C ATOM 893 O THR A 66 4.112 -7.120 4.428 1.00 1.42 O ATOM 894 CB THR A 66 5.174 -5.861 7.186 1.00 62.20 C ATOM 895 OG1 THR A 66 5.915 -7.037 6.917 1.00 65.40 O ATOM 896 CG2 THR A 66 4.123 -6.206 8.219 1.00 4.44 C ATOM 0 H THR A 66 3.518 -3.968 7.132 1.00 74.40 H new ATOM 0 HA THR A 66 5.402 -5.053 5.208 1.00 30.20 H new ATOM 0 HB THR A 66 5.813 -5.076 7.590 1.00 62.20 H new ATOM 0 HG1 THR A 66 6.282 -7.391 7.754 1.00 65.40 H new ATOM 0 HG21 THR A 66 4.606 -6.612 9.108 1.00 4.44 H new ATOM 0 HG22 THR A 66 3.567 -5.308 8.486 1.00 4.44 H new ATOM 0 HG23 THR A 66 3.438 -6.948 7.808 1.00 4.44 H new ATOM 904 N GLU A 67 2.390 -6.258 5.591 1.00 51.40 N ATOM 905 CA GLU A 67 1.408 -7.180 5.033 1.00 52.10 C ATOM 906 C GLU A 67 1.119 -6.850 3.572 1.00 35.20 C ATOM 907 O GLU A 67 1.125 -7.731 2.713 1.00 14.40 O ATOM 908 CB GLU A 67 0.113 -7.132 5.845 1.00 63.40 C ATOM 909 CG GLU A 67 -0.953 -8.096 5.349 1.00 74.00 C ATOM 910 CD GLU A 67 -1.859 -8.586 6.461 1.00 75.10 C ATOM 911 OE1 GLU A 67 -2.696 -7.791 6.939 1.00 54.00 O ATOM 912 OE2 GLU A 67 -1.732 -9.764 6.854 1.00 4.21 O ATOM 0 H GLU A 67 2.008 -5.590 6.261 1.00 51.40 H new ATOM 0 HA GLU A 67 1.823 -8.187 5.083 1.00 52.10 H new ATOM 0 HB2 GLU A 67 0.339 -7.358 6.887 1.00 63.40 H new ATOM 0 HB3 GLU A 67 -0.285 -6.118 5.818 1.00 63.40 H new ATOM 0 HG2 GLU A 67 -1.555 -7.604 4.585 1.00 74.00 H new ATOM 0 HG3 GLU A 67 -0.472 -8.951 4.874 1.00 74.00 H new ATOM 919 N TYR A 68 0.866 -5.574 3.299 1.00 2.31 N ATOM 920 CA TYR A 68 0.575 -5.126 1.942 1.00 75.10 C ATOM 921 C TYR A 68 1.804 -5.261 1.049 1.00 21.00 C ATOM 922 O TYR A 68 1.702 -5.671 -0.107 1.00 23.10 O ATOM 923 CB TYR A 68 0.095 -3.674 1.953 1.00 10.40 C ATOM 924 CG TYR A 68 -1.209 -3.471 2.690 1.00 41.30 C ATOM 925 CD1 TYR A 68 -2.305 -4.288 2.439 1.00 75.30 C ATOM 926 CD2 TYR A 68 -1.345 -2.463 3.637 1.00 75.40 C ATOM 927 CE1 TYR A 68 -3.499 -4.106 3.111 1.00 12.10 C ATOM 928 CE2 TYR A 68 -2.536 -2.275 4.313 1.00 54.50 C ATOM 929 CZ TYR A 68 -3.609 -3.099 4.046 1.00 60.50 C ATOM 930 OH TYR A 68 -4.797 -2.915 4.716 1.00 52.40 O ATOM 0 H TYR A 68 0.857 -4.832 3.999 1.00 2.31 H new ATOM 0 HA TYR A 68 -0.216 -5.759 1.539 1.00 75.10 H new ATOM 0 HB2 TYR A 68 0.862 -3.050 2.412 1.00 10.40 H new ATOM 0 HB3 TYR A 68 -0.022 -3.331 0.925 1.00 10.40 H new ATOM 0 HD1 TYR A 68 -2.222 -5.078 1.707 1.00 75.30 H new ATOM 0 HD2 TYR A 68 -0.506 -1.816 3.848 1.00 75.40 H new ATOM 0 HE1 TYR A 68 -4.342 -4.749 2.905 1.00 12.10 H new ATOM 0 HE2 TYR A 68 -2.626 -1.487 5.046 1.00 54.50 H new ATOM 0 HH TYR A 68 -4.708 -2.165 5.340 1.00 52.40 H new ATOM 940 N LEU A 69 2.965 -4.913 1.594 1.00 1.30 N ATOM 941 CA LEU A 69 4.215 -4.996 0.846 1.00 71.30 C ATOM 942 C LEU A 69 4.491 -6.430 0.405 1.00 24.10 C ATOM 943 O LEU A 69 5.016 -6.665 -0.683 1.00 51.20 O ATOM 944 CB LEU A 69 5.377 -4.479 1.696 1.00 42.50 C ATOM 945 CG LEU A 69 5.603 -2.967 1.633 1.00 31.00 C ATOM 946 CD1 LEU A 69 6.692 -2.549 2.609 1.00 73.40 C ATOM 947 CD2 LEU A 69 5.962 -2.543 0.217 1.00 51.30 C ATOM 0 H LEU A 69 3.067 -4.571 2.550 1.00 1.30 H new ATOM 0 HA LEU A 69 4.119 -4.374 -0.044 1.00 71.30 H new ATOM 0 HB2 LEU A 69 5.202 -4.762 2.734 1.00 42.50 H new ATOM 0 HB3 LEU A 69 6.291 -4.981 1.379 1.00 42.50 H new ATOM 0 HG LEU A 69 4.677 -2.467 1.918 1.00 31.00 H new ATOM 0 HD11 LEU A 69 6.839 -1.471 2.550 1.00 73.40 H new ATOM 0 HD12 LEU A 69 6.396 -2.820 3.622 1.00 73.40 H new ATOM 0 HD13 LEU A 69 7.623 -3.056 2.355 1.00 73.40 H new ATOM 0 HD21 LEU A 69 6.120 -1.465 0.189 1.00 51.30 H new ATOM 0 HD22 LEU A 69 6.874 -3.051 -0.095 1.00 51.30 H new ATOM 0 HD23 LEU A 69 5.150 -2.809 -0.459 1.00 51.30 H new ATOM 959 N ASP A 70 4.134 -7.385 1.257 1.00 24.20 N ATOM 960 CA ASP A 70 4.343 -8.796 0.955 1.00 71.20 C ATOM 961 C ASP A 70 3.451 -9.243 -0.199 1.00 70.20 C ATOM 962 O ASP A 70 3.894 -9.959 -1.097 1.00 72.30 O ATOM 963 CB ASP A 70 4.063 -9.651 2.192 1.00 62.50 C ATOM 964 CG ASP A 70 4.909 -10.900 2.230 1.00 13.10 C ATOM 965 OD1 ASP A 70 6.152 -10.780 2.196 1.00 25.30 O ATOM 966 OD2 ASP A 70 4.330 -12.010 2.294 1.00 0.55 O ATOM 0 H ASP A 70 3.699 -7.207 2.162 1.00 24.20 H new ATOM 0 HA ASP A 70 5.384 -8.928 0.659 1.00 71.20 H new ATOM 0 HB2 ASP A 70 4.251 -9.061 3.089 1.00 62.50 H new ATOM 0 HB3 ASP A 70 3.009 -9.928 2.208 1.00 62.50 H new ATOM 971 N ARG A 71 2.193 -8.816 -0.167 1.00 51.20 N ATOM 972 CA ARG A 71 1.239 -9.173 -1.211 1.00 55.30 C ATOM 973 C ARG A 71 1.622 -8.531 -2.541 1.00 53.20 C ATOM 974 O ARG A 71 1.706 -9.207 -3.566 1.00 34.00 O ATOM 975 CB ARG A 71 -0.173 -8.740 -0.810 1.00 21.40 C ATOM 976 CG ARG A 71 -1.235 -9.108 -1.832 1.00 13.10 C ATOM 977 CD ARG A 71 -1.696 -10.540 -1.663 1.00 4.11 C ATOM 978 NE ARG A 71 -3.068 -10.740 -2.126 1.00 74.10 N ATOM 979 CZ ARG A 71 -4.143 -10.380 -1.429 1.00 2.32 C ATOM 980 NH1 ARG A 71 -4.010 -9.808 -0.239 1.00 24.20 N ATOM 981 NH2 ARG A 71 -5.355 -10.590 -1.923 1.00 53.30 N ATOM 0 H ARG A 71 1.811 -8.223 0.570 1.00 51.20 H new ATOM 0 HA ARG A 71 1.259 -10.256 -1.332 1.00 55.30 H new ATOM 0 HB2 ARG A 71 -0.427 -9.198 0.146 1.00 21.40 H new ATOM 0 HB3 ARG A 71 -0.184 -7.661 -0.659 1.00 21.40 H new ATOM 0 HG2 ARG A 71 -2.087 -8.436 -1.731 1.00 13.10 H new ATOM 0 HG3 ARG A 71 -0.837 -8.969 -2.837 1.00 13.10 H new ATOM 0 HD2 ARG A 71 -1.029 -11.202 -2.215 1.00 4.11 H new ATOM 0 HD3 ARG A 71 -1.625 -10.820 -0.612 1.00 4.11 H new ATOM 0 HE ARG A 71 -3.209 -11.181 -3.035 1.00 74.10 H new ATOM 0 HH11 ARG A 71 -3.080 -9.642 0.146 1.00 24.20 H new ATOM 0 HH12 ARG A 71 -4.838 -9.534 0.291 1.00 24.20 H new ATOM 0 HH21 ARG A 71 -5.464 -11.028 -2.838 1.00 53.30 H new ATOM 0 HH22 ARG A 71 -6.179 -10.314 -1.388 1.00 53.30 H new ATOM 995 N ALA A 72 1.853 -7.222 -2.515 1.00 61.10 N ATOM 996 CA ALA A 72 2.227 -6.489 -3.719 1.00 62.20 C ATOM 997 C ALA A 72 3.522 -7.034 -4.313 1.00 23.20 C ATOM 998 O ALA A 72 3.665 -7.130 -5.531 1.00 25.20 O ATOM 999 CB ALA A 72 2.368 -5.007 -3.410 1.00 1.03 C ATOM 0 H ALA A 72 1.788 -6.648 -1.674 1.00 61.10 H new ATOM 0 HA ALA A 72 1.436 -6.622 -4.457 1.00 62.20 H new ATOM 0 HB1 ALA A 72 2.647 -4.471 -4.317 1.00 1.03 H new ATOM 0 HB2 ALA A 72 1.419 -4.621 -3.038 1.00 1.03 H new ATOM 0 HB3 ALA A 72 3.139 -4.865 -2.653 1.00 1.03 H new ATOM 1005 N GLU A 73 4.462 -7.389 -3.443 1.00 54.30 N ATOM 1006 CA GLU A 73 5.745 -7.924 -3.882 1.00 2.14 C ATOM 1007 C GLU A 73 5.554 -9.212 -4.677 1.00 4.22 C ATOM 1008 O GLU A 73 6.271 -9.468 -5.645 1.00 74.10 O ATOM 1009 CB GLU A 73 6.652 -8.184 -2.678 1.00 5.43 C ATOM 1010 CG GLU A 73 7.448 -6.965 -2.242 1.00 13.30 C ATOM 1011 CD GLU A 73 8.890 -7.014 -2.707 1.00 12.10 C ATOM 1012 OE1 GLU A 73 9.539 -8.065 -2.522 1.00 50.10 O ATOM 1013 OE2 GLU A 73 9.371 -6.001 -3.257 1.00 31.20 O ATOM 0 H GLU A 73 4.359 -7.316 -2.431 1.00 54.30 H new ATOM 0 HA GLU A 73 6.216 -7.185 -4.530 1.00 2.14 H new ATOM 0 HB2 GLU A 73 6.043 -8.528 -1.842 1.00 5.43 H new ATOM 0 HB3 GLU A 73 7.343 -8.991 -2.922 1.00 5.43 H new ATOM 0 HG2 GLU A 73 6.974 -6.066 -2.635 1.00 13.30 H new ATOM 0 HG3 GLU A 73 7.423 -6.889 -1.155 1.00 13.30 H new ATOM 1020 N LYS A 74 4.584 -10.010 -4.261 1.00 1.53 N ATOM 1021 CA LYS A 74 4.298 -11.280 -4.935 1.00 50.30 C ATOM 1022 C LYS A 74 3.629 -11.030 -6.283 1.00 3.15 C ATOM 1023 O LYS A 74 3.982 -11.660 -7.285 1.00 64.20 O ATOM 1024 CB LYS A 74 3.403 -12.150 -4.059 1.00 52.30 C ATOM 1025 CG LYS A 74 4.176 -13.060 -3.111 1.00 11.40 C ATOM 1026 CD LYS A 74 3.243 -13.830 -2.193 1.00 34.30 C ATOM 1027 CE LYS A 74 3.867 -15.140 -1.739 1.00 43.40 C ATOM 1028 NZ LYS A 74 3.427 -16.290 -2.580 1.00 31.30 N ATOM 0 H LYS A 74 3.980 -9.808 -3.464 1.00 1.53 H new ATOM 0 HA LYS A 74 5.240 -11.801 -5.106 1.00 50.30 H new ATOM 0 HB2 LYS A 74 2.744 -11.507 -3.475 1.00 52.30 H new ATOM 0 HB3 LYS A 74 2.767 -12.762 -4.699 1.00 52.30 H new ATOM 0 HG2 LYS A 74 4.779 -13.760 -3.689 1.00 11.40 H new ATOM 0 HG3 LYS A 74 4.865 -12.463 -2.513 1.00 11.40 H new ATOM 0 HD2 LYS A 74 3.001 -13.220 -1.323 1.00 34.30 H new ATOM 0 HD3 LYS A 74 2.306 -14.032 -2.711 1.00 34.30 H new ATOM 0 HE2 LYS A 74 4.953 -15.057 -1.778 1.00 43.40 H new ATOM 0 HE3 LYS A 74 3.599 -15.328 -0.699 1.00 43.40 H new ATOM 0 HZ1 LYS A 74 3.876 -17.163 -2.236 1.00 31.30 H new ATOM 0 HZ2 LYS A 74 2.393 -16.386 -2.523 1.00 31.30 H new ATOM 0 HZ3 LYS A 74 3.705 -16.124 -3.568 1.00 31.30 H new ATOM 1042 N LEU A 75 2.660 -10.120 -6.303 1.00 24.40 N ATOM 1043 CA LEU A 75 1.942 -9.802 -7.530 1.00 64.30 C ATOM 1044 C LEU A 75 2.902 -9.315 -8.609 1.00 22.10 C ATOM 1045 O LEU A 75 2.902 -9.824 -9.730 1.00 14.30 O ATOM 1046 CB LEU A 75 0.879 -8.736 -7.256 1.00 21.30 C ATOM 1047 CG LEU A 75 -0.486 -9.277 -6.827 1.00 32.50 C ATOM 1048 CD1 LEU A 75 -0.341 -10.200 -5.628 1.00 20.30 C ATOM 1049 CD2 LEU A 75 -1.435 -8.132 -6.507 1.00 42.50 C ATOM 0 H LEU A 75 2.355 -9.592 -5.485 1.00 24.40 H new ATOM 0 HA LEU A 75 1.455 -10.710 -7.887 1.00 64.30 H new ATOM 0 HB2 LEU A 75 1.249 -8.068 -6.478 1.00 21.30 H new ATOM 0 HB3 LEU A 75 0.748 -8.136 -8.156 1.00 21.30 H new ATOM 0 HG LEU A 75 -0.905 -9.851 -7.654 1.00 32.50 H new ATOM 0 HD11 LEU A 75 -1.322 -10.575 -5.337 1.00 20.30 H new ATOM 0 HD12 LEU A 75 0.305 -11.038 -5.890 1.00 20.30 H new ATOM 0 HD13 LEU A 75 0.098 -9.650 -4.796 1.00 20.30 H new ATOM 0 HD21 LEU A 75 -2.401 -8.534 -6.204 1.00 42.50 H new ATOM 0 HD22 LEU A 75 -1.021 -7.532 -5.697 1.00 42.50 H new ATOM 0 HD23 LEU A 75 -1.563 -7.508 -7.391 1.00 42.50 H new ATOM 1061 N LYS A 76 3.723 -8.330 -8.262 1.00 62.50 N ATOM 1062 CA LYS A 76 4.692 -7.777 -9.201 1.00 53.40 C ATOM 1063 C LYS A 76 5.704 -8.838 -9.621 1.00 12.00 C ATOM 1064 O LYS A 76 6.259 -8.781 -10.710 1.00 23.30 O ATOM 1065 CB LYS A 76 5.416 -6.583 -8.576 1.00 10.10 C ATOM 1066 CG LYS A 76 6.246 -6.947 -7.356 1.00 42.20 C ATOM 1067 CD LYS A 76 6.849 -5.712 -6.705 1.00 33.00 C ATOM 1068 CE LYS A 76 8.229 -6.001 -6.135 1.00 24.50 C ATOM 1069 NZ LYS A 76 8.837 -4.792 -5.513 1.00 52.20 N ATOM 0 H LYS A 76 3.737 -7.898 -7.338 1.00 62.50 H new ATOM 0 HA LYS A 76 4.153 -7.441 -10.087 1.00 53.40 H new ATOM 0 HB2 LYS A 76 6.065 -6.129 -9.325 1.00 10.10 H new ATOM 0 HB3 LYS A 76 4.681 -5.830 -8.293 1.00 10.10 H new ATOM 0 HG2 LYS A 76 5.622 -7.473 -6.633 1.00 42.20 H new ATOM 0 HG3 LYS A 76 7.042 -7.632 -7.647 1.00 42.20 H new ATOM 0 HD2 LYS A 76 6.918 -4.909 -7.439 1.00 33.00 H new ATOM 0 HD3 LYS A 76 6.192 -5.361 -5.910 1.00 33.00 H new ATOM 0 HE2 LYS A 76 8.156 -6.794 -5.391 1.00 24.50 H new ATOM 0 HE3 LYS A 76 8.880 -6.368 -6.929 1.00 24.50 H new ATOM 0 HZ1 LYS A 76 9.683 -4.514 -6.050 1.00 52.20 H new ATOM 0 HZ2 LYS A 76 8.148 -4.013 -5.524 1.00 52.20 H new ATOM 0 HZ3 LYS A 76 9.105 -5.004 -4.531 1.00 52.20 H new ATOM 1083 N GLU A 77 5.940 -9.806 -8.740 1.00 42.40 N ATOM 1084 CA GLU A 77 6.885 -10.880 -9.017 1.00 61.20 C ATOM 1085 C GLU A 77 6.503 -11.630 -10.280 1.00 33.20 C ATOM 1086 O GLU A 77 7.307 -11.750 -11.210 1.00 21.50 O ATOM 1087 CB GLU A 77 6.946 -11.850 -7.836 1.00 61.10 C ATOM 1088 CG GLU A 77 8.260 -12.600 -7.737 1.00 2.03 C ATOM 1089 CD GLU A 77 8.743 -12.750 -6.307 1.00 34.10 C ATOM 1090 OE1 GLU A 77 7.936 -13.160 -5.448 1.00 35.40 O ATOM 1091 OE2 GLU A 77 9.927 -12.450 -6.047 1.00 13.40 O ATOM 0 H GLU A 77 5.488 -9.867 -7.827 1.00 42.40 H new ATOM 0 HA GLU A 77 7.868 -10.433 -9.166 1.00 61.20 H new ATOM 0 HB2 GLU A 77 6.783 -11.296 -6.912 1.00 61.10 H new ATOM 0 HB3 GLU A 77 6.132 -12.569 -7.924 1.00 61.10 H new ATOM 0 HG2 GLU A 77 8.144 -13.588 -8.182 1.00 2.03 H new ATOM 0 HG3 GLU A 77 9.018 -12.075 -8.319 1.00 2.03 H new ATOM 1098 N TYR A 78 5.273 -12.130 -10.320 1.00 15.30 N ATOM 1099 CA TYR A 78 4.793 -12.870 -11.480 1.00 63.40 C ATOM 1100 C TYR A 78 4.402 -11.920 -12.620 1.00 70.30 C ATOM 1101 O TYR A 78 4.554 -12.250 -13.790 1.00 55.40 O ATOM 1102 CB TYR A 78 3.606 -13.770 -11.100 1.00 55.20 C ATOM 1103 CG TYR A 78 2.276 -13.040 -11.020 1.00 24.40 C ATOM 1104 CD1 TYR A 78 1.580 -12.710 -12.180 1.00 61.20 C ATOM 1105 CD2 TYR A 78 1.716 -12.700 -9.803 1.00 60.10 C ATOM 1106 CE1 TYR A 78 0.365 -12.060 -12.120 1.00 12.10 C ATOM 1107 CE2 TYR A 78 0.500 -12.050 -9.732 1.00 63.50 C ATOM 1108 CZ TYR A 78 -0.171 -11.730 -10.890 1.00 0.42 C ATOM 1109 OH TYR A 78 -1.381 -11.080 -10.820 1.00 14.00 O ATOM 0 H TYR A 78 4.593 -12.037 -9.566 1.00 15.30 H new ATOM 0 HA TYR A 78 5.608 -13.503 -11.831 1.00 63.40 H new ATOM 0 HB2 TYR A 78 3.524 -14.574 -11.832 1.00 55.20 H new ATOM 0 HB3 TYR A 78 3.811 -14.236 -10.136 1.00 55.20 H new ATOM 0 HD1 TYR A 78 1.998 -12.967 -13.142 1.00 61.20 H new ATOM 0 HD2 TYR A 78 2.239 -12.947 -8.891 1.00 60.10 H new ATOM 0 HE1 TYR A 78 -0.164 -11.811 -13.028 1.00 12.10 H new ATOM 0 HE2 TYR A 78 0.077 -11.794 -8.772 1.00 63.50 H new ATOM 0 HH TYR A 78 -1.947 -11.514 -10.148 1.00 14.00 H new ATOM 1119 N LEU A 79 3.899 -10.750 -12.250 1.00 64.30 N ATOM 1120 CA LEU A 79 3.487 -9.758 -13.230 1.00 22.50 C ATOM 1121 C LEU A 79 4.695 -9.190 -13.970 1.00 43.40 C ATOM 1122 O LEU A 79 4.618 -8.878 -15.160 1.00 53.10 O ATOM 1123 CB LEU A 79 2.714 -8.629 -12.550 1.00 73.40 C ATOM 1124 CG LEU A 79 1.280 -8.976 -12.140 1.00 54.50 C ATOM 1125 CD1 LEU A 79 0.639 -7.819 -11.400 1.00 22.40 C ATOM 1126 CD2 LEU A 79 0.457 -9.341 -13.370 1.00 25.20 C ATOM 0 H LEU A 79 3.767 -10.466 -11.279 1.00 64.30 H new ATOM 0 HA LEU A 79 2.837 -10.248 -13.955 1.00 22.50 H new ATOM 0 HB2 LEU A 79 3.264 -8.317 -11.662 1.00 73.40 H new ATOM 0 HB3 LEU A 79 2.685 -7.773 -13.224 1.00 73.40 H new ATOM 0 HG LEU A 79 1.310 -9.835 -11.469 1.00 54.50 H new ATOM 0 HD11 LEU A 79 -0.379 -8.087 -11.118 1.00 22.40 H new ATOM 0 HD12 LEU A 79 1.217 -7.596 -10.503 1.00 22.40 H new ATOM 0 HD13 LEU A 79 0.618 -6.941 -12.046 1.00 22.40 H new ATOM 0 HD21 LEU A 79 -0.561 -9.586 -13.067 1.00 25.20 H new ATOM 0 HD22 LEU A 79 0.437 -8.496 -14.058 1.00 25.20 H new ATOM 0 HD23 LEU A 79 0.905 -10.202 -13.865 1.00 25.20 H new ATOM 1138 N LYS A 80 5.809 -9.058 -13.260 1.00 73.10 N ATOM 1139 CA LYS A 80 7.034 -8.527 -13.840 1.00 55.50 C ATOM 1140 C LYS A 80 7.810 -9.622 -14.570 1.00 21.20 C ATOM 1141 O LYS A 80 8.476 -9.366 -15.570 1.00 23.40 O ATOM 1142 CB LYS A 80 7.910 -7.894 -12.760 1.00 11.30 C ATOM 1143 CG LYS A 80 9.024 -7.020 -13.310 1.00 61.30 C ATOM 1144 CD LYS A 80 9.333 -5.857 -12.390 1.00 13.50 C ATOM 1145 CE LYS A 80 10.516 -5.043 -12.890 1.00 61.20 C ATOM 1146 NZ LYS A 80 10.689 -3.782 -12.110 1.00 33.50 N ATOM 0 H LYS A 80 5.888 -9.314 -12.276 1.00 73.10 H new ATOM 0 HA LYS A 80 6.758 -7.759 -14.562 1.00 55.50 H new ATOM 0 HB2 LYS A 80 7.282 -7.295 -12.101 1.00 11.30 H new ATOM 0 HB3 LYS A 80 8.348 -8.685 -12.151 1.00 11.30 H new ATOM 0 HG2 LYS A 80 9.922 -7.621 -13.450 1.00 61.30 H new ATOM 0 HG3 LYS A 80 8.738 -6.641 -14.291 1.00 61.30 H new ATOM 0 HD2 LYS A 80 8.457 -5.214 -12.310 1.00 13.50 H new ATOM 0 HD3 LYS A 80 9.546 -6.232 -11.389 1.00 13.50 H new ATOM 0 HE2 LYS A 80 11.425 -5.641 -12.820 1.00 61.20 H new ATOM 0 HE3 LYS A 80 10.373 -4.802 -13.943 1.00 61.20 H new ATOM 0 HZ1 LYS A 80 11.505 -3.254 -12.480 1.00 33.50 H new ATOM 0 HZ2 LYS A 80 9.832 -3.200 -12.197 1.00 33.50 H new ATOM 0 HZ3 LYS A 80 10.851 -4.012 -11.109 1.00 33.50 H new ATOM 1160 N ASN A 81 7.720 -10.840 -14.050 1.00 51.20 N ATOM 1161 CA ASN A 81 8.414 -11.970 -14.650 1.00 52.40 C ATOM 1162 C ASN A 81 7.789 -12.350 -15.990 1.00 4.50 C ATOM 1163 O ASN A 81 8.494 -12.630 -16.960 1.00 55.20 O ATOM 1164 CB ASN A 81 8.380 -13.170 -13.700 1.00 35.20 C ATOM 1165 CG ASN A 81 9.235 -14.330 -14.190 1.00 21.20 C ATOM 1166 OD1 ASN A 81 9.450 -14.480 -15.390 1.00 74.20 O ATOM 1167 ND2 ASN A 81 9.726 -15.140 -13.260 1.00 51.30 N ATOM 0 H ASN A 81 7.176 -11.069 -13.218 1.00 51.20 H new ATOM 0 HA ASN A 81 9.449 -11.678 -14.827 1.00 52.40 H new ATOM 0 HB2 ASN A 81 8.727 -12.859 -12.715 1.00 35.20 H new ATOM 0 HB3 ASN A 81 7.350 -13.507 -13.583 1.00 35.20 H new ATOM 0 HD21 ASN A 81 10.312 -15.930 -13.530 1.00 51.30 H new ATOM 0 HD22 ASN A 81 9.518 -14.972 -12.276 1.00 51.30 H new TER 1174 ASN A 81