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 :FLIP no HE2:sc= -0.744 F(o=-2.1!,f=-0.72) USER MOD Set 1.2: A 50 TYR OH : rot 88:sc= 0.0234 USER MOD Set 2.1: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 43 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= -0.167 K(o=-0.17,f=-1.3!) 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= -0.162 K(o=-0.16,f=-2.3!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 1.15 K(o=1.1,f=-1.6) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0295 X(o=-0.03,f=-0.42) USER MOD Single : A 37 TYR OH : rot 85:sc= -1.07 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 HIS : no HD1:sc= -0.0615 X(o=-0.061,f=-0.0039) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -2.06! C(o=-2.1!,f=-3.1!) 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 :FLIP amide:sc= -0.767 F(o=-1.5,f=-0.77) 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 160:sc= -1.6 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 80:sc= -0.036 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 123:sc= -0.371 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.043 X(o=-0.043,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -2.885 12.387 3.220 1.00 54.10 N ATOM 2 CA ASN A 10 -2.094 11.308 2.639 1.00 4.12 C ATOM 3 C ASN A 10 -2.480 9.963 3.244 1.00 65.20 C ATOM 4 O ASN A 10 -2.430 8.932 2.574 1.00 24.20 O ATOM 5 CB ASN A 10 -0.602 11.569 2.854 1.00 21.50 C ATOM 6 CG ASN A 10 -0.112 12.788 2.097 1.00 74.50 C ATOM 7 OD1 ASN A 10 0.177 12.716 0.902 1.00 41.30 O ATOM 8 ND2 ASN A 10 -0.017 13.916 2.790 1.00 3.21 N ATOM 0 HA ASN A 10 -2.300 11.276 1.569 1.00 4.12 H new ATOM 0 HB2 ASN A 10 -0.410 11.704 3.918 1.00 21.50 H new ATOM 0 HB3 ASN A 10 -0.034 10.695 2.536 1.00 21.50 H new ATOM 0 HD21 ASN A 10 0.306 14.769 2.334 1.00 3.21 H new ATOM 0 HD22 ASN A 10 -0.267 13.930 3.779 1.00 3.21 H new ATOM 15 N LEU A 11 -2.864 9.981 4.516 1.00 3.24 N ATOM 16 CA LEU A 11 -3.259 8.762 5.213 1.00 24.00 C ATOM 17 C LEU A 11 -4.632 8.289 4.747 1.00 53.10 C ATOM 18 O LEU A 11 -4.884 7.089 4.643 1.00 61.20 O ATOM 19 CB LEU A 11 -3.272 8.995 6.725 1.00 74.10 C ATOM 20 CG LEU A 11 -3.538 7.748 7.570 1.00 72.00 C ATOM 21 CD1 LEU A 11 -2.243 6.995 7.831 1.00 62.00 C ATOM 22 CD2 LEU A 11 -4.210 8.128 8.881 1.00 13.50 C ATOM 0 H LEU A 11 -2.910 10.826 5.085 1.00 3.24 H new ATOM 0 HA LEU A 11 -2.529 7.987 4.979 1.00 24.00 H new ATOM 0 HB2 LEU A 11 -2.312 9.417 7.020 1.00 74.10 H new ATOM 0 HB3 LEU A 11 -4.033 9.741 6.956 1.00 74.10 H new ATOM 0 HG LEU A 11 -4.210 7.092 7.016 1.00 72.00 H new ATOM 0 HD11 LEU A 11 -2.451 6.111 8.434 1.00 62.00 H new ATOM 0 HD12 LEU A 11 -1.801 6.692 6.882 1.00 62.00 H new ATOM 0 HD13 LEU A 11 -1.547 7.642 8.365 1.00 62.00 H new ATOM 0 HD21 LEU A 11 -4.392 7.229 9.470 1.00 13.50 H new ATOM 0 HD22 LEU A 11 -3.562 8.803 9.440 1.00 13.50 H new ATOM 0 HD23 LEU A 11 -5.158 8.624 8.673 1.00 13.50 H new ATOM 34 N GLN A 12 -5.516 9.241 4.468 1.00 52.30 N ATOM 35 CA GLN A 12 -6.865 8.922 4.013 1.00 61.50 C ATOM 36 C GLN A 12 -6.826 8.135 2.707 1.00 24.00 C ATOM 37 O GLN A 12 -7.601 7.199 2.512 1.00 53.20 O ATOM 38 CB GLN A 12 -7.679 10.204 3.826 1.00 13.10 C ATOM 39 CG GLN A 12 -9.162 9.955 3.606 1.00 4.24 C ATOM 40 CD GLN A 12 -9.787 10.958 2.656 1.00 42.10 C ATOM 41 OE1 GLN A 12 -9.138 11.436 1.725 1.00 4.43 O ATOM 42 NE2 GLN A 12 -11.050 11.282 2.887 1.00 41.40 N ATOM 0 H GLN A 12 -5.323 10.239 4.549 1.00 52.30 H new ATOM 0 HA GLN A 12 -7.342 8.305 4.774 1.00 61.50 H new ATOM 0 HB2 GLN A 12 -7.552 10.837 4.704 1.00 13.10 H new ATOM 0 HB3 GLN A 12 -7.281 10.756 2.975 1.00 13.10 H new ATOM 0 HG2 GLN A 12 -9.303 8.949 3.211 1.00 4.24 H new ATOM 0 HG3 GLN A 12 -9.680 9.996 4.564 1.00 4.24 H new ATOM 0 HE21 GLN A 12 -11.549 10.861 3.670 1.00 41.40 H new ATOM 0 HE22 GLN A 12 -11.523 11.953 2.281 1.00 41.40 H new ATOM 51 N LYS A 13 -5.919 8.521 1.816 1.00 23.40 N ATOM 52 CA LYS A 13 -5.780 7.851 0.528 1.00 34.30 C ATOM 53 C LYS A 13 -5.141 6.476 0.697 1.00 4.33 C ATOM 54 O LYS A 13 -5.475 5.533 -0.021 1.00 53.30 O ATOM 55 CB LYS A 13 -4.940 8.703 -0.425 1.00 55.30 C ATOM 56 CG LYS A 13 -5.396 8.626 -1.873 1.00 51.30 C ATOM 57 CD LYS A 13 -4.221 8.713 -2.833 1.00 32.50 C ATOM 58 CE LYS A 13 -4.570 9.528 -4.067 1.00 11.20 C ATOM 59 NZ LYS A 13 -3.855 9.038 -5.278 1.00 43.30 N ATOM 0 H LYS A 13 -5.270 9.294 1.962 1.00 23.40 H new ATOM 0 HA LYS A 13 -6.776 7.720 0.105 1.00 34.30 H new ATOM 0 HB2 LYS A 13 -4.975 9.742 -0.097 1.00 55.30 H new ATOM 0 HB3 LYS A 13 -3.900 8.384 -0.363 1.00 55.30 H new ATOM 0 HG2 LYS A 13 -5.933 7.692 -2.037 1.00 51.30 H new ATOM 0 HG3 LYS A 13 -6.096 9.436 -2.079 1.00 51.30 H new ATOM 0 HD2 LYS A 13 -3.368 9.165 -2.326 1.00 32.50 H new ATOM 0 HD3 LYS A 13 -3.919 7.709 -3.132 1.00 32.50 H new ATOM 0 HE2 LYS A 13 -5.646 9.484 -4.238 1.00 11.20 H new ATOM 0 HE3 LYS A 13 -4.317 10.574 -3.895 1.00 11.20 H new ATOM 0 HZ1 LYS A 13 -4.121 9.621 -6.098 1.00 43.30 H new ATOM 0 HZ2 LYS A 13 -2.828 9.103 -5.125 1.00 43.30 H new ATOM 0 HZ3 LYS A 13 -4.116 8.048 -5.458 1.00 43.30 H new ATOM 73 N ALA A 14 -4.221 6.369 1.649 1.00 43.30 N ATOM 74 CA ALA A 14 -3.536 5.110 1.912 1.00 12.30 C ATOM 75 C ALA A 14 -4.525 4.017 2.302 1.00 4.12 C ATOM 76 O ALA A 14 -4.367 2.858 1.920 1.00 3.54 O ATOM 77 CB ALA A 14 -2.493 5.295 3.005 1.00 64.40 C ATOM 0 H ALA A 14 -3.933 7.140 2.252 1.00 43.30 H new ATOM 0 HA ALA A 14 -3.035 4.799 0.995 1.00 12.30 H new ATOM 0 HB1 ALA A 14 -1.989 4.347 3.191 1.00 64.40 H new ATOM 0 HB2 ALA A 14 -1.762 6.038 2.688 1.00 64.40 H new ATOM 0 HB3 ALA A 14 -2.980 5.633 3.920 1.00 64.40 H new ATOM 83 N ILE A 15 -5.546 4.395 3.064 1.00 24.40 N ATOM 84 CA ILE A 15 -6.562 3.448 3.505 1.00 72.40 C ATOM 85 C ILE A 15 -7.552 3.142 2.386 1.00 13.30 C ATOM 86 O ILE A 15 -8.094 2.040 2.307 1.00 41.10 O ATOM 87 CB ILE A 15 -7.335 3.980 4.726 1.00 12.20 C ATOM 88 CG1 ILE A 15 -6.362 4.485 5.793 1.00 12.10 C ATOM 89 CG2 ILE A 15 -8.239 2.897 5.295 1.00 34.40 C ATOM 90 CD1 ILE A 15 -7.016 5.357 6.843 1.00 53.30 C ATOM 0 H ILE A 15 -5.691 5.351 3.389 1.00 24.40 H new ATOM 0 HA ILE A 15 -6.040 2.533 3.785 1.00 72.40 H new ATOM 0 HB ILE A 15 -7.959 4.815 4.406 1.00 12.20 H new ATOM 0 HG12 ILE A 15 -5.895 3.630 6.282 1.00 12.10 H new ATOM 0 HG13 ILE A 15 -5.565 5.049 5.309 1.00 12.10 H new ATOM 0 HG21 ILE A 15 -8.778 3.289 6.157 1.00 34.40 H new ATOM 0 HG22 ILE A 15 -8.952 2.581 4.534 1.00 34.40 H new ATOM 0 HG23 ILE A 15 -7.635 2.043 5.602 1.00 34.40 H new ATOM 0 HD11 ILE A 15 -6.267 5.679 7.567 1.00 53.30 H new ATOM 0 HD12 ILE A 15 -7.459 6.231 6.366 1.00 53.30 H new ATOM 0 HD13 ILE A 15 -7.794 4.790 7.354 1.00 53.30 H new ATOM 102 N ASP A 16 -7.783 4.126 1.522 1.00 61.40 N ATOM 103 CA ASP A 16 -8.707 3.962 0.407 1.00 32.30 C ATOM 104 C ASP A 16 -8.126 3.027 -0.649 1.00 72.50 C ATOM 105 O ASP A 16 -8.817 2.146 -1.160 1.00 52.00 O ATOM 106 CB ASP A 16 -9.029 5.320 -0.220 1.00 31.20 C ATOM 107 CG ASP A 16 -10.440 5.386 -0.760 1.00 44.50 C ATOM 108 OD1 ASP A 16 -10.670 4.909 -1.891 1.00 54.00 O ATOM 109 OD2 ASP A 16 -11.320 5.916 -0.051 1.00 13.10 O ATOM 0 H ASP A 16 -7.343 5.045 1.573 1.00 61.40 H new ATOM 0 HA ASP A 16 -9.626 3.520 0.792 1.00 32.30 H new ATOM 0 HB2 ASP A 16 -8.891 6.103 0.526 1.00 31.20 H new ATOM 0 HB3 ASP A 16 -8.324 5.521 -1.027 1.00 31.20 H new ATOM 114 N LEU A 17 -6.852 3.225 -0.971 1.00 52.00 N ATOM 115 CA LEU A 17 -6.178 2.399 -1.966 1.00 12.00 C ATOM 116 C LEU A 17 -6.022 0.966 -1.468 1.00 63.40 C ATOM 117 O LEU A 17 -6.215 0.012 -2.221 1.00 22.40 O ATOM 118 CB LEU A 17 -4.806 2.987 -2.302 1.00 73.20 C ATOM 119 CG LEU A 17 -4.835 4.382 -2.927 1.00 41.10 C ATOM 120 CD1 LEU A 17 -3.600 5.174 -2.523 1.00 52.20 C ATOM 121 CD2 LEU A 17 -4.936 4.285 -4.442 1.00 71.20 C ATOM 0 H LEU A 17 -6.266 3.950 -0.558 1.00 52.00 H new ATOM 0 HA LEU A 17 -6.791 2.386 -2.867 1.00 12.00 H new ATOM 0 HB2 LEU A 17 -4.211 3.027 -1.389 1.00 73.20 H new ATOM 0 HB3 LEU A 17 -4.295 2.310 -2.986 1.00 73.20 H new ATOM 0 HG LEU A 17 -5.715 4.907 -2.557 1.00 41.10 H new ATOM 0 HD11 LEU A 17 -3.638 6.164 -2.977 1.00 52.20 H new ATOM 0 HD12 LEU A 17 -3.570 5.273 -1.438 1.00 52.20 H new ATOM 0 HD13 LEU A 17 -2.706 4.653 -2.864 1.00 52.20 H new ATOM 0 HD21 LEU A 17 -4.955 5.287 -4.870 1.00 71.20 H new ATOM 0 HD22 LEU A 17 -4.075 3.741 -4.830 1.00 71.20 H new ATOM 0 HD23 LEU A 17 -5.850 3.757 -4.713 1.00 71.20 H new ATOM 133 N ALA A 18 -5.670 0.822 -0.194 1.00 13.50 N ATOM 134 CA ALA A 18 -5.489 -0.494 0.404 1.00 33.00 C ATOM 135 C ALA A 18 -6.794 -1.282 0.405 1.00 62.00 C ATOM 136 O ALA A 18 -6.826 -2.451 0.020 1.00 50.20 O ATOM 137 CB ALA A 18 -4.950 -0.360 1.821 1.00 1.34 C ATOM 0 H ALA A 18 -5.505 1.601 0.443 1.00 13.50 H new ATOM 0 HA ALA A 18 -4.765 -1.043 -0.199 1.00 33.00 H new ATOM 0 HB1 ALA A 18 -4.820 -1.351 2.256 1.00 1.34 H new ATOM 0 HB2 ALA A 18 -3.990 0.155 1.798 1.00 1.34 H new ATOM 0 HB3 ALA A 18 -5.654 0.212 2.426 1.00 1.34 H new ATOM 143 N SER A 19 -7.870 -0.634 0.841 1.00 0.15 N ATOM 144 CA SER A 19 -9.179 -1.274 0.892 1.00 21.00 C ATOM 145 C SER A 19 -9.622 -1.719 -0.498 1.00 51.20 C ATOM 146 O SER A 19 -10.150 -2.816 -0.669 1.00 71.00 O ATOM 147 CB SER A 19 -10.210 -0.318 1.488 1.00 52.20 C ATOM 148 OG SER A 19 -11.130 -1.013 2.308 1.00 4.33 O ATOM 0 H SER A 19 -7.861 0.334 1.164 1.00 0.15 H new ATOM 0 HA SER A 19 -9.102 -2.157 1.527 1.00 21.00 H new ATOM 0 HB2 SER A 19 -9.704 0.450 2.073 1.00 52.20 H new ATOM 0 HB3 SER A 19 -10.745 0.192 0.687 1.00 52.20 H new ATOM 0 HG SER A 19 -11.779 -0.380 2.680 1.00 4.33 H new ATOM 154 N LYS A 20 -9.399 -0.860 -1.487 1.00 71.20 N ATOM 155 CA LYS A 20 -9.776 -1.165 -2.863 1.00 32.00 C ATOM 156 C LYS A 20 -8.864 -2.237 -3.451 1.00 42.20 C ATOM 157 O LYS A 20 -9.311 -3.103 -4.203 1.00 45.50 O ATOM 158 CB LYS A 20 -9.717 0.099 -3.722 1.00 35.20 C ATOM 159 CG LYS A 20 -10.800 0.163 -4.786 1.00 75.30 C ATOM 160 CD LYS A 20 -10.840 1.526 -5.456 1.00 23.40 C ATOM 161 CE LYS A 20 -9.925 1.581 -6.667 1.00 72.20 C ATOM 162 NZ LYS A 20 -9.982 2.905 -7.347 1.00 10.40 N ATOM 0 H LYS A 20 -8.960 0.052 -1.362 1.00 71.20 H new ATOM 0 HA LYS A 20 -10.798 -1.545 -2.858 1.00 32.00 H new ATOM 0 HB2 LYS A 20 -9.803 0.972 -3.075 1.00 35.20 H new ATOM 0 HB3 LYS A 20 -8.741 0.155 -4.205 1.00 35.20 H new ATOM 0 HG2 LYS A 20 -10.621 -0.607 -5.536 1.00 75.30 H new ATOM 0 HG3 LYS A 20 -11.769 -0.051 -4.334 1.00 75.30 H new ATOM 0 HD2 LYS A 20 -11.862 1.752 -5.761 1.00 23.40 H new ATOM 0 HD3 LYS A 20 -10.544 2.293 -4.740 1.00 23.40 H new ATOM 0 HE2 LYS A 20 -8.900 1.376 -6.357 1.00 72.20 H new ATOM 0 HE3 LYS A 20 -10.208 0.799 -7.371 1.00 72.20 H new ATOM 0 HZ1 LYS A 20 -9.344 2.901 -8.168 1.00 10.40 H new ATOM 0 HZ2 LYS A 20 -10.955 3.090 -7.665 1.00 10.40 H new ATOM 0 HZ3 LYS A 20 -9.688 3.649 -6.683 1.00 10.40 H new ATOM 176 N ALA A 21 -7.582 -2.172 -3.104 1.00 75.30 N ATOM 177 CA ALA A 21 -6.607 -3.137 -3.598 1.00 4.33 C ATOM 178 C ALA A 21 -6.932 -4.544 -3.109 1.00 22.20 C ATOM 179 O ALA A 21 -6.926 -5.499 -3.886 1.00 54.20 O ATOM 180 CB ALA A 21 -5.205 -2.736 -3.167 1.00 43.00 C ATOM 0 H ALA A 21 -7.195 -1.461 -2.483 1.00 75.30 H new ATOM 0 HA ALA A 21 -6.653 -3.140 -4.687 1.00 4.33 H new ATOM 0 HB1 ALA A 21 -4.487 -3.465 -3.542 1.00 43.00 H new ATOM 0 HB2 ALA A 21 -4.968 -1.752 -3.571 1.00 43.00 H new ATOM 0 HB3 ALA A 21 -5.154 -2.704 -2.079 1.00 43.00 H new ATOM 186 N ALA A 22 -7.215 -4.665 -1.816 1.00 61.00 N ATOM 187 CA ALA A 22 -7.542 -5.956 -1.224 1.00 71.40 C ATOM 188 C ALA A 22 -8.778 -6.563 -1.878 1.00 2.53 C ATOM 189 O ALA A 22 -8.843 -7.771 -2.104 1.00 44.20 O ATOM 190 CB ALA A 22 -7.754 -5.809 0.276 1.00 23.40 C ATOM 0 H ALA A 22 -7.224 -3.885 -1.159 1.00 61.00 H new ATOM 0 HA ALA A 22 -6.704 -6.631 -1.398 1.00 71.40 H new ATOM 0 HB1 ALA A 22 -7.998 -6.781 0.706 1.00 23.40 H new ATOM 0 HB2 ALA A 22 -6.843 -5.427 0.736 1.00 23.40 H new ATOM 0 HB3 ALA A 22 -8.573 -5.114 0.461 1.00 23.40 H new ATOM 196 N GLN A 23 -9.757 -5.717 -2.180 1.00 60.50 N ATOM 197 CA GLN A 23 -10.990 -6.170 -2.809 1.00 64.30 C ATOM 198 C GLN A 23 -10.750 -6.534 -4.271 1.00 33.40 C ATOM 199 O GLN A 23 -11.410 -7.423 -4.814 1.00 34.10 O ATOM 200 CB GLN A 23 -12.060 -5.087 -2.708 1.00 51.30 C ATOM 201 CG GLN A 23 -12.870 -5.146 -1.420 1.00 73.20 C ATOM 202 CD GLN A 23 -14.270 -4.583 -1.580 1.00 4.02 C ATOM 203 OE1 GLN A 23 -14.710 -4.295 -2.692 1.00 51.40 O ATOM 204 NE2 GLN A 23 -14.970 -4.423 -0.465 1.00 35.20 N ATOM 0 H GLN A 23 -9.720 -4.714 -1.999 1.00 60.50 H new ATOM 0 HA GLN A 23 -11.335 -7.061 -2.285 1.00 64.30 H new ATOM 0 HB2 GLN A 23 -11.583 -4.110 -2.783 1.00 51.30 H new ATOM 0 HB3 GLN A 23 -12.737 -5.177 -3.557 1.00 51.30 H new ATOM 0 HG2 GLN A 23 -12.936 -6.181 -1.084 1.00 73.20 H new ATOM 0 HG3 GLN A 23 -12.347 -4.591 -0.641 1.00 73.20 H new ATOM 0 HE21 GLN A 23 -14.561 -4.677 0.435 1.00 35.20 H new ATOM 0 HE22 GLN A 23 -15.917 -4.046 -0.507 1.00 35.20 H new ATOM 213 N GLU A 24 -9.816 -5.840 -4.904 1.00 23.20 N ATOM 214 CA GLU A 24 -9.493 -6.091 -6.304 1.00 12.50 C ATOM 215 C GLU A 24 -8.804 -7.441 -6.471 1.00 62.20 C ATOM 216 O GLU A 24 -9.225 -8.269 -7.278 1.00 52.20 O ATOM 217 CB GLU A 24 -8.598 -4.977 -6.850 1.00 4.53 C ATOM 218 CG GLU A 24 -9.313 -3.645 -7.010 1.00 23.00 C ATOM 219 CD GLU A 24 -9.950 -3.486 -8.376 1.00 12.30 C ATOM 220 OE1 GLU A 24 -9.332 -3.914 -9.373 1.00 42.50 O ATOM 221 OE2 GLU A 24 -11.060 -2.932 -8.449 1.00 74.50 O ATOM 0 H GLU A 24 -9.267 -5.097 -4.471 1.00 23.20 H new ATOM 0 HA GLU A 24 -10.425 -6.108 -6.868 1.00 12.50 H new ATOM 0 HB2 GLU A 24 -7.747 -4.845 -6.181 1.00 4.53 H new ATOM 0 HB3 GLU A 24 -8.199 -5.284 -7.817 1.00 4.53 H new ATOM 0 HG2 GLU A 24 -10.081 -3.555 -6.242 1.00 23.00 H new ATOM 0 HG3 GLU A 24 -8.603 -2.834 -6.848 1.00 23.00 H new ATOM 228 N ASP A 25 -7.741 -7.655 -5.702 1.00 41.40 N ATOM 229 CA ASP A 25 -6.992 -8.905 -5.764 1.00 75.30 C ATOM 230 C ASP A 25 -7.883 -10.090 -5.408 1.00 31.20 C ATOM 231 O ASP A 25 -7.924 -11.080 -6.128 1.00 64.20 O ATOM 232 CB ASP A 25 -5.791 -8.852 -4.818 1.00 14.00 C ATOM 233 CG ASP A 25 -4.885 -10.050 -4.967 1.00 4.12 C ATOM 234 OD1 ASP A 25 -4.372 -10.280 -6.084 1.00 52.40 O ATOM 235 OD2 ASP A 25 -4.688 -10.780 -3.967 1.00 54.30 O ATOM 0 H ASP A 25 -7.379 -6.979 -5.029 1.00 41.40 H new ATOM 0 HA ASP A 25 -6.635 -9.036 -6.785 1.00 75.30 H new ATOM 0 HB2 ASP A 25 -5.221 -7.943 -5.010 1.00 14.00 H new ATOM 0 HB3 ASP A 25 -6.145 -8.794 -3.789 1.00 14.00 H new ATOM 240 N LYS A 26 -8.595 -9.975 -4.291 1.00 2.35 N ATOM 241 CA LYS A 26 -9.485 -11.030 -3.839 1.00 42.40 C ATOM 242 C LYS A 26 -10.560 -11.310 -4.876 1.00 40.30 C ATOM 243 O LYS A 26 -11.030 -12.450 -5.012 1.00 2.54 O ATOM 244 CB LYS A 26 -10.120 -10.650 -2.503 1.00 51.40 C ATOM 245 CG LYS A 26 -10.370 -11.840 -1.588 1.00 42.50 C ATOM 246 CD LYS A 26 -10.190 -11.470 -0.126 1.00 0.22 C ATOM 247 CE LYS A 26 -10.560 -12.620 0.795 1.00 34.30 C ATOM 248 NZ LYS A 26 -9.668 -12.680 1.985 1.00 12.10 N ATOM 0 H LYS A 26 -8.570 -9.157 -3.683 1.00 2.35 H new ATOM 0 HA LYS A 26 -8.899 -11.939 -3.702 1.00 42.40 H new ATOM 0 HB2 LYS A 26 -9.472 -9.939 -1.991 1.00 51.40 H new ATOM 0 HB3 LYS A 26 -11.066 -10.142 -2.691 1.00 51.40 H new ATOM 0 HG2 LYS A 26 -11.381 -12.216 -1.747 1.00 42.50 H new ATOM 0 HG3 LYS A 26 -9.686 -12.648 -1.846 1.00 42.50 H new ATOM 0 HD2 LYS A 26 -9.154 -11.181 0.051 1.00 0.22 H new ATOM 0 HD3 LYS A 26 -10.808 -10.603 0.109 1.00 0.22 H new ATOM 0 HE2 LYS A 26 -11.594 -12.508 1.120 1.00 34.30 H new ATOM 0 HE3 LYS A 26 -10.499 -13.560 0.246 1.00 34.30 H new ATOM 0 HZ1 LYS A 26 -9.950 -13.477 2.591 1.00 12.10 H new ATOM 0 HZ2 LYS A 26 -8.684 -12.812 1.675 1.00 12.10 H new ATOM 0 HZ3 LYS A 26 -9.745 -11.793 2.522 1.00 12.10 H new ATOM 262 N ALA A 27 -10.960 -10.280 -5.605 1.00 30.10 N ATOM 263 CA ALA A 27 -11.990 -10.410 -6.630 1.00 75.00 C ATOM 264 C ALA A 27 -11.430 -11.090 -7.879 1.00 4.35 C ATOM 265 O ALA A 27 -12.110 -11.900 -8.511 1.00 55.50 O ATOM 266 CB ALA A 27 -12.570 -9.054 -6.977 1.00 42.10 C ATOM 0 H ALA A 27 -10.585 -9.337 -5.506 1.00 30.10 H new ATOM 0 HA ALA A 27 -12.789 -11.035 -6.232 1.00 75.00 H new ATOM 0 HB1 ALA A 27 -13.336 -9.171 -7.743 1.00 42.10 H new ATOM 0 HB2 ALA A 27 -13.013 -8.609 -6.086 1.00 42.10 H new ATOM 0 HB3 ALA A 27 -11.779 -8.405 -7.352 1.00 42.10 H new ATOM 272 N GLY A 28 -10.200 -10.740 -8.230 1.00 63.30 N ATOM 273 CA GLY A 28 -9.575 -11.320 -9.403 1.00 51.00 C ATOM 274 C GLY A 28 -8.545 -10.400 -10.020 1.00 75.40 C ATOM 275 O GLY A 28 -7.585 -10.860 -10.640 1.00 21.40 O ATOM 0 H GLY A 28 -9.624 -10.066 -7.725 1.00 63.30 H new ATOM 0 HA2 GLY A 28 -9.100 -12.262 -9.130 1.00 51.00 H new ATOM 0 HA3 GLY A 28 -10.341 -11.552 -10.143 1.00 51.00 H new ATOM 279 N ASN A 29 -8.744 -9.105 -9.865 1.00 12.00 N ATOM 280 CA ASN A 29 -7.824 -8.117 -10.410 1.00 5.21 C ATOM 281 C ASN A 29 -6.519 -8.087 -9.628 1.00 25.20 C ATOM 282 O ASN A 29 -6.475 -7.596 -8.500 1.00 21.00 O ATOM 283 CB ASN A 29 -8.469 -6.730 -10.410 1.00 71.10 C ATOM 284 CG ASN A 29 -9.738 -6.678 -11.230 1.00 53.30 C ATOM 285 OD1 ASN A 29 -10.080 -7.642 -11.910 1.00 60.10 O ATOM 286 ND2 ASN A 29 -10.430 -5.549 -11.180 1.00 62.30 N ATOM 0 H ASN A 29 -9.539 -8.708 -9.364 1.00 12.00 H new ATOM 0 HA ASN A 29 -7.597 -8.404 -11.437 1.00 5.21 H new ATOM 0 HB2 ASN A 29 -8.692 -6.437 -9.384 1.00 71.10 H new ATOM 0 HB3 ASN A 29 -7.758 -6.003 -10.802 1.00 71.10 H new ATOM 0 HD21 ASN A 29 -11.289 -5.453 -11.722 1.00 62.30 H new ATOM 0 HD22 ASN A 29 -10.104 -4.776 -10.599 1.00 62.30 H new ATOM 293 N TYR A 30 -5.458 -8.616 -10.220 1.00 61.40 N ATOM 294 CA TYR A 30 -4.151 -8.650 -9.583 1.00 31.50 C ATOM 295 C TYR A 30 -3.288 -7.478 -10.030 1.00 20.10 C ATOM 296 O TYR A 30 -2.578 -6.870 -9.238 1.00 40.40 O ATOM 297 CB TYR A 30 -3.442 -9.971 -9.889 1.00 35.30 C ATOM 298 CG TYR A 30 -3.858 -11.100 -8.982 1.00 5.11 C ATOM 299 CD1 TYR A 30 -5.193 -11.300 -8.650 1.00 12.50 C ATOM 300 CD2 TYR A 30 -2.916 -11.980 -8.457 1.00 31.10 C ATOM 301 CE1 TYR A 30 -5.577 -12.340 -7.821 1.00 51.40 C ATOM 302 CE2 TYR A 30 -3.292 -13.020 -7.628 1.00 32.50 C ATOM 303 CZ TYR A 30 -4.623 -13.190 -7.314 1.00 72.00 C ATOM 304 OH TYR A 30 -5.002 -14.230 -6.488 1.00 3.21 O ATOM 0 H TYR A 30 -5.479 -9.032 -11.151 1.00 61.40 H new ATOM 0 HA TYR A 30 -4.303 -8.569 -8.507 1.00 31.50 H new ATOM 0 HB2 TYR A 30 -3.645 -10.252 -10.922 1.00 35.30 H new ATOM 0 HB3 TYR A 30 -2.365 -9.825 -9.804 1.00 35.30 H new ATOM 0 HD1 TYR A 30 -5.944 -10.632 -9.046 1.00 12.50 H new ATOM 0 HD2 TYR A 30 -1.872 -11.848 -8.702 1.00 31.10 H new ATOM 0 HE1 TYR A 30 -6.619 -12.483 -7.574 1.00 51.40 H new ATOM 0 HE2 TYR A 30 -2.548 -13.694 -7.229 1.00 32.50 H new ATOM 0 HH TYR A 30 -4.209 -14.738 -6.216 1.00 3.21 H new ATOM 314 N GLU A 31 -3.355 -7.168 -11.320 1.00 32.10 N ATOM 315 CA GLU A 31 -2.579 -6.068 -11.890 1.00 13.30 C ATOM 316 C GLU A 31 -2.956 -4.744 -11.230 1.00 34.30 C ATOM 317 O GLU A 31 -2.096 -4.022 -10.730 1.00 42.20 O ATOM 318 CB GLU A 31 -2.799 -5.982 -13.400 1.00 4.31 C ATOM 319 CG GLU A 31 -1.925 -6.937 -14.200 1.00 50.40 C ATOM 320 CD GLU A 31 -0.716 -6.252 -14.800 1.00 34.20 C ATOM 321 OE1 GLU A 31 -0.870 -5.600 -15.860 1.00 24.30 O ATOM 322 OE2 GLU A 31 0.384 -6.368 -14.220 1.00 73.50 O ATOM 0 H GLU A 31 -3.939 -7.663 -11.994 1.00 32.10 H new ATOM 0 HA GLU A 31 -1.524 -6.264 -11.700 1.00 13.30 H new ATOM 0 HB2 GLU A 31 -3.846 -6.192 -13.618 1.00 4.31 H new ATOM 0 HB3 GLU A 31 -2.603 -4.962 -13.729 1.00 4.31 H new ATOM 0 HG2 GLU A 31 -1.594 -7.750 -13.553 1.00 50.40 H new ATOM 0 HG3 GLU A 31 -2.518 -7.385 -14.998 1.00 50.40 H new ATOM 329 N GLU A 32 -4.248 -4.433 -11.240 1.00 73.40 N ATOM 330 CA GLU A 32 -4.740 -3.196 -10.640 1.00 12.10 C ATOM 331 C GLU A 32 -4.480 -3.175 -9.143 1.00 44.00 C ATOM 332 O GLU A 32 -4.057 -2.159 -8.591 1.00 61.10 O ATOM 333 CB GLU A 32 -6.236 -3.033 -10.910 1.00 41.00 C ATOM 334 CG GLU A 32 -6.709 -1.589 -10.870 1.00 23.20 C ATOM 335 CD GLU A 32 -6.772 -0.957 -12.250 1.00 54.10 C ATOM 336 OE1 GLU A 32 -7.440 -1.530 -13.140 1.00 54.30 O ATOM 337 OE2 GLU A 32 -6.155 0.112 -12.440 1.00 45.20 O ATOM 0 H GLU A 32 -4.973 -5.018 -11.656 1.00 73.40 H new ATOM 0 HA GLU A 32 -4.202 -2.365 -11.095 1.00 12.10 H new ATOM 0 HB2 GLU A 32 -6.468 -3.455 -11.888 1.00 41.00 H new ATOM 0 HB3 GLU A 32 -6.794 -3.610 -10.173 1.00 41.00 H new ATOM 0 HG2 GLU A 32 -7.696 -1.546 -10.409 1.00 23.20 H new ATOM 0 HG3 GLU A 32 -6.037 -1.008 -10.238 1.00 23.20 H new ATOM 344 N ALA A 33 -4.735 -4.302 -8.488 1.00 71.30 N ATOM 345 CA ALA A 33 -4.529 -4.413 -7.049 1.00 42.10 C ATOM 346 C ALA A 33 -3.062 -4.207 -6.688 1.00 54.40 C ATOM 347 O ALA A 33 -2.743 -3.623 -5.652 1.00 3.32 O ATOM 348 CB ALA A 33 -5.013 -5.766 -6.550 1.00 11.20 C ATOM 0 H ALA A 33 -5.085 -5.152 -8.931 1.00 71.30 H new ATOM 0 HA ALA A 33 -5.109 -3.630 -6.561 1.00 42.10 H new ATOM 0 HB1 ALA A 33 -4.853 -5.835 -5.474 1.00 11.20 H new ATOM 0 HB2 ALA A 33 -6.076 -5.875 -6.767 1.00 11.20 H new ATOM 0 HB3 ALA A 33 -4.457 -6.559 -7.051 1.00 11.20 H new ATOM 354 N LEU A 34 -2.172 -4.692 -7.548 1.00 21.10 N ATOM 355 CA LEU A 34 -0.738 -4.561 -7.319 1.00 12.00 C ATOM 356 C LEU A 34 -0.332 -3.093 -7.238 1.00 62.40 C ATOM 357 O LEU A 34 0.311 -2.669 -6.278 1.00 4.20 O ATOM 358 CB LEU A 34 0.043 -5.258 -8.435 1.00 11.50 C ATOM 359 CG LEU A 34 1.565 -5.148 -8.326 1.00 63.20 C ATOM 360 CD1 LEU A 34 2.046 -5.703 -6.995 1.00 13.10 C ATOM 361 CD2 LEU A 34 2.235 -5.874 -9.483 1.00 63.00 C ATOM 0 H LEU A 34 -2.419 -5.179 -8.410 1.00 21.10 H new ATOM 0 HA LEU A 34 -0.502 -5.037 -6.367 1.00 12.00 H new ATOM 0 HB2 LEU A 34 -0.230 -6.313 -8.444 1.00 11.50 H new ATOM 0 HB3 LEU A 34 -0.269 -4.839 -9.392 1.00 11.50 H new ATOM 0 HG LEU A 34 1.839 -4.094 -8.377 1.00 63.20 H new ATOM 0 HD11 LEU A 34 3.131 -5.616 -6.935 1.00 13.10 H new ATOM 0 HD12 LEU A 34 1.592 -5.139 -6.180 1.00 13.10 H new ATOM 0 HD13 LEU A 34 1.761 -6.752 -6.914 1.00 13.10 H new ATOM 0 HD21 LEU A 34 3.317 -5.786 -9.390 1.00 63.00 H new ATOM 0 HD22 LEU A 34 1.954 -6.927 -9.464 1.00 63.00 H new ATOM 0 HD23 LEU A 34 1.914 -5.430 -10.426 1.00 63.00 H new ATOM 373 N GLN A 35 -0.711 -2.322 -8.253 1.00 51.30 N ATOM 374 CA GLN A 35 -0.386 -0.901 -8.296 1.00 50.30 C ATOM 375 C GLN A 35 -1.001 -0.166 -7.110 1.00 45.30 C ATOM 376 O GLN A 35 -0.439 0.809 -6.612 1.00 70.10 O ATOM 377 CB GLN A 35 -0.880 -0.284 -9.606 1.00 63.10 C ATOM 378 CG GLN A 35 0.004 -0.602 -10.800 1.00 72.30 C ATOM 379 CD GLN A 35 0.188 0.587 -11.720 1.00 1.22 C ATOM 380 OE1 GLN A 35 -0.701 1.428 -11.850 1.00 32.10 O ATOM 381 NE2 GLN A 35 1.347 0.663 -12.360 1.00 41.10 N ATOM 0 H GLN A 35 -1.243 -2.658 -9.056 1.00 51.30 H new ATOM 0 HA GLN A 35 0.698 -0.799 -8.240 1.00 50.30 H new ATOM 0 HB2 GLN A 35 -1.890 -0.640 -9.807 1.00 63.10 H new ATOM 0 HB3 GLN A 35 -0.941 0.798 -9.488 1.00 63.10 H new ATOM 0 HG2 GLN A 35 0.979 -0.938 -10.447 1.00 72.30 H new ATOM 0 HG3 GLN A 35 -0.433 -1.427 -11.362 1.00 72.30 H new ATOM 0 HE21 GLN A 35 2.055 -0.058 -12.221 1.00 41.10 H new ATOM 0 HE22 GLN A 35 1.531 1.443 -12.991 1.00 41.10 H new ATOM 390 N LEU A 36 -2.159 -0.641 -6.661 1.00 42.00 N ATOM 391 CA LEU A 36 -2.850 -0.028 -5.533 1.00 13.20 C ATOM 392 C LEU A 36 -2.138 -0.345 -4.222 1.00 51.50 C ATOM 393 O LEU A 36 -2.030 0.509 -3.341 1.00 34.40 O ATOM 394 CB LEU A 36 -4.299 -0.515 -5.470 1.00 31.10 C ATOM 395 CG LEU A 36 -5.174 -0.099 -6.653 1.00 73.40 C ATOM 396 CD1 LEU A 36 -6.423 -0.964 -6.725 1.00 53.00 C ATOM 397 CD2 LEU A 36 -5.548 1.372 -6.546 1.00 23.00 C ATOM 0 H LEU A 36 -2.638 -1.448 -7.061 1.00 42.00 H new ATOM 0 HA LEU A 36 -2.843 1.052 -5.678 1.00 13.20 H new ATOM 0 HB2 LEU A 36 -4.298 -1.603 -5.403 1.00 31.10 H new ATOM 0 HB3 LEU A 36 -4.753 -0.140 -4.553 1.00 31.10 H new ATOM 0 HG LEU A 36 -4.604 -0.244 -7.571 1.00 73.40 H new ATOM 0 HD11 LEU A 36 -7.033 -0.653 -7.573 1.00 53.00 H new ATOM 0 HD12 LEU A 36 -6.136 -2.008 -6.848 1.00 53.00 H new ATOM 0 HD13 LEU A 36 -6.997 -0.852 -5.805 1.00 53.00 H new ATOM 0 HD21 LEU A 36 -6.171 1.652 -7.396 1.00 23.00 H new ATOM 0 HD22 LEU A 36 -6.099 1.541 -5.621 1.00 23.00 H new ATOM 0 HD23 LEU A 36 -4.642 1.979 -6.545 1.00 23.00 H new ATOM 409 N TYR A 37 -1.654 -1.576 -4.099 1.00 52.30 N ATOM 410 CA TYR A 37 -0.952 -2.005 -2.895 1.00 33.20 C ATOM 411 C TYR A 37 0.292 -1.156 -2.659 1.00 14.20 C ATOM 412 O TYR A 37 0.596 -0.784 -1.526 1.00 14.20 O ATOM 413 CB TYR A 37 -0.563 -3.481 -3.005 1.00 31.50 C ATOM 414 CG TYR A 37 -1.743 -4.425 -2.943 1.00 15.40 C ATOM 415 CD1 TYR A 37 -2.751 -4.247 -2.004 1.00 73.30 C ATOM 416 CD2 TYR A 37 -1.848 -5.494 -3.824 1.00 63.00 C ATOM 417 CE1 TYR A 37 -3.831 -5.107 -1.944 1.00 30.40 C ATOM 418 CE2 TYR A 37 -2.925 -6.359 -3.771 1.00 5.11 C ATOM 419 CZ TYR A 37 -3.913 -6.162 -2.829 1.00 44.30 C ATOM 420 OH TYR A 37 -4.986 -7.021 -2.773 1.00 12.30 O ATOM 0 H TYR A 37 -1.735 -2.294 -4.818 1.00 52.30 H new ATOM 0 HA TYR A 37 -1.624 -1.876 -2.047 1.00 33.20 H new ATOM 0 HB2 TYR A 37 -0.031 -3.639 -3.943 1.00 31.50 H new ATOM 0 HB3 TYR A 37 0.130 -3.726 -2.200 1.00 31.50 H new ATOM 0 HD1 TYR A 37 -2.690 -3.423 -1.309 1.00 73.30 H new ATOM 0 HD2 TYR A 37 -1.076 -5.652 -4.562 1.00 63.00 H new ATOM 0 HE1 TYR A 37 -4.607 -4.954 -1.208 1.00 30.40 H new ATOM 0 HE2 TYR A 37 -2.992 -7.185 -4.464 1.00 5.11 H new ATOM 0 HH TYR A 37 -5.730 -6.650 -3.292 1.00 12.30 H new ATOM 430 N GLN A 38 1.008 -0.852 -3.737 1.00 1.02 N ATOM 431 CA GLN A 38 2.220 -0.046 -3.647 1.00 35.40 C ATOM 432 C GLN A 38 1.896 1.375 -3.198 1.00 4.12 C ATOM 433 O GLN A 38 2.586 1.941 -2.350 1.00 12.00 O ATOM 434 CB GLN A 38 2.938 -0.015 -4.998 1.00 74.10 C ATOM 435 CG GLN A 38 3.680 -1.301 -5.322 1.00 12.30 C ATOM 436 CD GLN A 38 4.102 -1.380 -6.776 1.00 64.10 C ATOM 437 OE1 GLN A 38 4.653 -0.427 -7.327 1.00 73.40 O ATOM 438 NE2 GLN A 38 3.843 -2.520 -7.406 1.00 33.10 N ATOM 0 H GLN A 38 0.770 -1.152 -4.682 1.00 1.02 H new ATOM 0 HA GLN A 38 2.876 -0.502 -2.905 1.00 35.40 H new ATOM 0 HB2 GLN A 38 2.208 0.181 -5.783 1.00 74.10 H new ATOM 0 HB3 GLN A 38 3.645 0.814 -5.005 1.00 74.10 H new ATOM 0 HG2 GLN A 38 4.562 -1.377 -4.687 1.00 12.30 H new ATOM 0 HG3 GLN A 38 3.043 -2.153 -5.086 1.00 12.30 H new ATOM 0 HE21 GLN A 38 3.384 -3.284 -6.910 1.00 33.10 H new ATOM 0 HE22 GLN A 38 4.103 -2.632 -8.386 1.00 33.10 H new ATOM 447 N HIS A 39 0.842 1.946 -3.771 1.00 35.20 N ATOM 448 CA HIS A 39 0.427 3.301 -3.429 1.00 12.30 C ATOM 449 C HIS A 39 0.071 3.405 -1.950 1.00 23.30 C ATOM 450 O HIS A 39 0.447 4.364 -1.276 1.00 11.40 O ATOM 451 CB HIS A 39 -0.771 3.721 -4.284 1.00 14.20 C ATOM 452 CG HIS A 39 -0.386 4.379 -5.572 1.00 71.30 C ATOM 453 ND1 HIS A 39 -1.266 5.121 -6.331 1.00 44.50 N ATOM 454 CD2 HIS A 39 0.795 4.406 -6.235 1.00 1.43 C ATOM 455 CE1 HIS A 39 -0.644 5.574 -7.406 1.00 62.20 C ATOM 456 NE2 HIS A 39 0.607 5.154 -7.371 1.00 11.20 N ATOM 0 H HIS A 39 0.260 1.491 -4.474 1.00 35.20 H new ATOM 0 HA HIS A 39 1.263 3.971 -3.631 1.00 12.30 H new ATOM 0 HB2 HIS A 39 -1.377 2.842 -4.502 1.00 14.20 H new ATOM 0 HB3 HIS A 39 -1.396 4.405 -3.709 1.00 14.20 H new ATOM 0 HD2 HIS A 39 1.713 3.928 -5.927 1.00 1.43 H new ATOM 0 HE1 HIS A 39 -1.084 6.184 -8.181 1.00 62.20 H new ATOM 0 HE2 HIS A 39 1.319 5.353 -8.074 1.00 11.20 H new ATOM 465 N ALA A 40 -0.655 2.410 -1.450 1.00 45.40 N ATOM 466 CA ALA A 40 -1.061 2.389 -0.050 1.00 72.30 C ATOM 467 C ALA A 40 0.153 2.398 0.874 1.00 32.30 C ATOM 468 O ALA A 40 0.204 3.159 1.840 1.00 44.50 O ATOM 469 CB ALA A 40 -1.929 1.171 0.229 1.00 63.20 C ATOM 0 H ALA A 40 -0.974 1.608 -1.994 1.00 45.40 H new ATOM 0 HA ALA A 40 -1.642 3.290 0.148 1.00 72.30 H new ATOM 0 HB1 ALA A 40 -2.225 1.168 1.278 1.00 63.20 H new ATOM 0 HB2 ALA A 40 -2.819 1.207 -0.399 1.00 63.20 H new ATOM 0 HB3 ALA A 40 -1.366 0.264 0.008 1.00 63.20 H new ATOM 475 N VAL A 41 1.128 1.547 0.570 1.00 72.30 N ATOM 476 CA VAL A 41 2.341 1.458 1.373 1.00 21.40 C ATOM 477 C VAL A 41 3.137 2.757 1.310 1.00 31.40 C ATOM 478 O VAL A 41 3.731 3.182 2.301 1.00 3.22 O ATOM 479 CB VAL A 41 3.239 0.295 0.908 1.00 74.30 C ATOM 480 CG1 VAL A 41 4.419 0.119 1.852 1.00 23.20 C ATOM 481 CG2 VAL A 41 2.436 -0.993 0.802 1.00 35.20 C ATOM 0 H VAL A 41 1.101 0.910 -0.226 1.00 72.30 H new ATOM 0 HA VAL A 41 2.028 1.276 2.401 1.00 21.40 H new ATOM 0 HB VAL A 41 3.628 0.536 -0.081 1.00 74.30 H new ATOM 0 HG11 VAL A 41 5.041 -0.707 1.507 1.00 23.20 H new ATOM 0 HG12 VAL A 41 5.010 1.035 1.871 1.00 23.20 H new ATOM 0 HG13 VAL A 41 4.053 -0.097 2.856 1.00 23.20 H new ATOM 0 HG21 VAL A 41 3.088 -1.802 0.472 1.00 35.20 H new ATOM 0 HG22 VAL A 41 2.015 -1.240 1.776 1.00 35.20 H new ATOM 0 HG23 VAL A 41 1.629 -0.860 0.081 1.00 35.20 H new ATOM 491 N GLN A 42 3.145 3.384 0.138 1.00 44.00 N ATOM 492 CA GLN A 42 3.868 4.636 -0.054 1.00 44.30 C ATOM 493 C GLN A 42 3.286 5.741 0.822 1.00 34.40 C ATOM 494 O GLN A 42 4.020 6.459 1.501 1.00 43.30 O ATOM 495 CB GLN A 42 3.820 5.056 -1.524 1.00 53.00 C ATOM 496 CG GLN A 42 4.954 4.482 -2.358 1.00 25.50 C ATOM 497 CD GLN A 42 5.513 5.483 -3.350 1.00 13.40 C ATOM 498 OE1 GLN A 42 6.704 5.792 -3.334 1.00 32.20 O ATOM 499 NE2 GLN A 42 4.652 5.996 -4.222 1.00 54.10 N ATOM 0 H GLN A 42 2.659 3.046 -0.693 1.00 44.00 H new ATOM 0 HA GLN A 42 4.906 4.475 0.237 1.00 44.30 H new ATOM 0 HB2 GLN A 42 2.869 4.740 -1.953 1.00 53.00 H new ATOM 0 HB3 GLN A 42 3.851 6.144 -1.584 1.00 53.00 H new ATOM 0 HG2 GLN A 42 5.753 4.147 -1.697 1.00 25.50 H new ATOM 0 HG3 GLN A 42 4.596 3.604 -2.896 1.00 25.50 H new ATOM 0 HE21 GLN A 42 3.673 5.711 -4.200 1.00 54.10 H new ATOM 0 HE22 GLN A 42 4.970 6.674 -4.914 1.00 54.10 H new ATOM 508 N TYR A 43 1.964 5.871 0.801 1.00 41.30 N ATOM 509 CA TYR A 43 1.283 6.888 1.593 1.00 44.20 C ATOM 510 C TYR A 43 1.285 6.517 3.072 1.00 21.50 C ATOM 511 O TYR A 43 1.436 7.379 3.939 1.00 33.20 O ATOM 512 CB TYR A 43 -0.154 7.069 1.103 1.00 72.40 C ATOM 513 CG TYR A 43 -0.251 7.544 -0.330 1.00 73.40 C ATOM 514 CD1 TYR A 43 0.284 8.767 -0.714 1.00 62.20 C ATOM 515 CD2 TYR A 43 -0.877 6.769 -1.298 1.00 34.50 C ATOM 516 CE1 TYR A 43 0.198 9.205 -2.022 1.00 62.50 C ATOM 517 CE2 TYR A 43 -0.967 7.199 -2.608 1.00 61.30 C ATOM 518 CZ TYR A 43 -0.429 8.417 -2.965 1.00 43.30 C ATOM 519 OH TYR A 43 -0.517 8.849 -4.268 1.00 34.40 O ATOM 0 H TYR A 43 1.343 5.284 0.244 1.00 41.30 H new ATOM 0 HA TYR A 43 1.822 7.828 1.472 1.00 44.20 H new ATOM 0 HB2 TYR A 43 -0.684 6.121 1.199 1.00 72.40 H new ATOM 0 HB3 TYR A 43 -0.662 7.785 1.749 1.00 72.40 H new ATOM 0 HD1 TYR A 43 0.775 9.386 0.022 1.00 62.20 H new ATOM 0 HD2 TYR A 43 -1.300 5.815 -1.022 1.00 34.50 H new ATOM 0 HE1 TYR A 43 0.619 10.159 -2.304 1.00 62.50 H new ATOM 0 HE2 TYR A 43 -1.456 6.584 -3.349 1.00 61.30 H new ATOM 0 HH TYR A 43 -0.987 8.177 -4.804 1.00 34.40 H new ATOM 529 N PHE A 44 1.117 5.229 3.355 1.00 51.10 N ATOM 530 CA PHE A 44 1.099 4.744 4.730 1.00 24.50 C ATOM 531 C PHE A 44 2.417 5.053 5.433 1.00 31.20 C ATOM 532 O PHE A 44 2.433 5.654 6.507 1.00 34.20 O ATOM 533 CB PHE A 44 0.833 3.238 4.758 1.00 60.10 C ATOM 534 CG PHE A 44 -0.627 2.886 4.747 1.00 0.31 C ATOM 535 CD1 PHE A 44 -1.517 3.538 5.585 1.00 32.20 C ATOM 536 CD2 PHE A 44 -1.109 1.902 3.898 1.00 34.00 C ATOM 537 CE1 PHE A 44 -2.861 3.216 5.576 1.00 25.40 C ATOM 538 CE2 PHE A 44 -2.452 1.576 3.886 1.00 74.30 C ATOM 539 CZ PHE A 44 -3.329 2.234 4.726 1.00 71.40 C ATOM 0 H PHE A 44 0.991 4.503 2.650 1.00 51.10 H new ATOM 0 HA PHE A 44 0.297 5.257 5.260 1.00 24.50 H new ATOM 0 HB2 PHE A 44 1.316 2.776 3.897 1.00 60.10 H new ATOM 0 HB3 PHE A 44 1.294 2.812 5.649 1.00 60.10 H new ATOM 0 HD1 PHE A 44 -1.157 4.306 6.253 1.00 32.20 H new ATOM 0 HD2 PHE A 44 -0.428 1.385 3.239 1.00 34.00 H new ATOM 0 HE1 PHE A 44 -3.545 3.732 6.234 1.00 25.40 H new ATOM 0 HE2 PHE A 44 -2.815 0.807 3.220 1.00 74.30 H new ATOM 0 HZ PHE A 44 -4.379 1.981 4.718 1.00 71.40 H new ATOM 549 N LEU A 45 3.520 4.637 4.819 1.00 54.20 N ATOM 550 CA LEU A 45 4.844 4.870 5.386 1.00 42.40 C ATOM 551 C LEU A 45 5.132 6.363 5.501 1.00 63.30 C ATOM 552 O LEU A 45 5.845 6.800 6.404 1.00 34.40 O ATOM 553 CB LEU A 45 5.915 4.196 4.526 1.00 11.20 C ATOM 554 CG LEU A 45 5.827 2.671 4.459 1.00 40.20 C ATOM 555 CD1 LEU A 45 6.884 2.116 3.517 1.00 21.50 C ATOM 556 CD2 LEU A 45 5.979 2.068 5.847 1.00 72.40 C ATOM 0 H LEU A 45 3.524 4.137 3.930 1.00 54.20 H new ATOM 0 HA LEU A 45 4.865 4.437 6.386 1.00 42.40 H new ATOM 0 HB2 LEU A 45 5.849 4.593 3.513 1.00 11.20 H new ATOM 0 HB3 LEU A 45 6.896 4.471 4.913 1.00 11.20 H new ATOM 0 HG LEU A 45 4.845 2.399 4.071 1.00 40.20 H new ATOM 0 HD11 LEU A 45 6.806 1.029 3.482 1.00 21.50 H new ATOM 0 HD12 LEU A 45 6.730 2.523 2.518 1.00 21.50 H new ATOM 0 HD13 LEU A 45 7.874 2.397 3.875 1.00 21.50 H new ATOM 0 HD21 LEU A 45 5.914 0.982 5.781 1.00 72.40 H new ATOM 0 HD22 LEU A 45 6.947 2.349 6.262 1.00 72.40 H new ATOM 0 HD23 LEU A 45 5.185 2.440 6.494 1.00 72.40 H new ATOM 568 N HIS A 46 4.572 7.141 4.580 1.00 74.50 N ATOM 569 CA HIS A 46 4.769 8.586 4.578 1.00 71.10 C ATOM 570 C HIS A 46 4.257 9.207 5.874 1.00 73.10 C ATOM 571 O HIS A 46 4.862 10.134 6.411 1.00 41.30 O ATOM 572 CB HIS A 46 4.058 9.217 3.380 1.00 53.20 C ATOM 573 CG HIS A 46 4.344 10.678 3.216 1.00 73.20 C ATOM 574 ND1 HIS A 46 3.678 11.767 3.669 1.00 65.40 N flip ATOM 575 CD2 HIS A 46 5.428 11.159 2.513 1.00 52.20 C flip ATOM 576 CE1 HIS A 46 4.367 12.873 3.235 1.00 3.12 C flip ATOM 577 NE2 HIS A 46 5.418 12.480 2.541 1.00 4.41 N flip ATOM 0 H HIS A 46 3.979 6.795 3.826 1.00 74.50 H new ATOM 0 HA HIS A 46 5.839 8.782 4.501 1.00 71.10 H new ATOM 0 HB2 HIS A 46 4.357 8.692 2.473 1.00 53.20 H new ATOM 0 HB3 HIS A 46 2.983 9.076 3.490 1.00 53.20 H new ATOM 0 HD1 HIS A 46 2.825 11.766 4.228 1.00 65.40 H new ATOM 0 HD2 HIS A 46 6.170 10.551 2.017 1.00 52.20 H new ATOM 0 HE1 HIS A 46 4.093 13.899 3.430 1.00 3.12 H new ATOM 586 N VAL A 47 3.138 8.689 6.370 1.00 24.40 N ATOM 587 CA VAL A 47 2.544 9.192 7.603 1.00 65.30 C ATOM 588 C VAL A 47 3.298 8.680 8.825 1.00 75.10 C ATOM 589 O VAL A 47 3.673 9.455 9.705 1.00 13.00 O ATOM 590 CB VAL A 47 1.063 8.785 7.720 1.00 15.20 C ATOM 591 CG1 VAL A 47 0.410 9.479 8.906 1.00 61.20 C ATOM 592 CG2 VAL A 47 0.319 9.101 6.432 1.00 23.10 C ATOM 0 H VAL A 47 2.625 7.921 5.937 1.00 24.40 H new ATOM 0 HA VAL A 47 2.612 10.279 7.566 1.00 65.30 H new ATOM 0 HB VAL A 47 1.013 7.709 7.886 1.00 15.20 H new ATOM 0 HG11 VAL A 47 -0.636 9.179 8.972 1.00 61.20 H new ATOM 0 HG12 VAL A 47 0.927 9.197 9.823 1.00 61.20 H new ATOM 0 HG13 VAL A 47 0.470 10.559 8.774 1.00 61.20 H new ATOM 0 HG21 VAL A 47 -0.726 8.807 6.534 1.00 23.10 H new ATOM 0 HG22 VAL A 47 0.377 10.171 6.232 1.00 23.10 H new ATOM 0 HG23 VAL A 47 0.772 8.552 5.606 1.00 23.10 H new ATOM 602 N VAL A 48 3.518 7.371 8.873 1.00 3.00 N ATOM 603 CA VAL A 48 4.228 6.755 9.987 1.00 30.20 C ATOM 604 C VAL A 48 5.641 7.314 10.114 1.00 1.14 C ATOM 605 O VAL A 48 6.156 7.483 11.220 1.00 34.50 O ATOM 606 CB VAL A 48 4.306 5.225 9.828 1.00 63.10 C ATOM 607 CG1 VAL A 48 4.869 4.584 11.088 1.00 43.40 C ATOM 608 CG2 VAL A 48 2.937 4.653 9.496 1.00 32.10 C ATOM 0 H VAL A 48 3.215 6.716 8.153 1.00 3.00 H new ATOM 0 HA VAL A 48 3.664 6.990 10.890 1.00 30.20 H new ATOM 0 HB VAL A 48 4.980 4.998 9.002 1.00 63.10 H new ATOM 0 HG11 VAL A 48 4.916 3.503 10.956 1.00 43.40 H new ATOM 0 HG12 VAL A 48 5.870 4.971 11.277 1.00 43.40 H new ATOM 0 HG13 VAL A 48 4.224 4.818 11.935 1.00 43.40 H new ATOM 0 HG21 VAL A 48 3.011 3.571 9.387 1.00 32.10 H new ATOM 0 HG22 VAL A 48 2.239 4.890 10.299 1.00 32.10 H new ATOM 0 HG23 VAL A 48 2.578 5.087 8.563 1.00 32.10 H new ATOM 618 N LYS A 49 6.264 7.598 8.975 1.00 14.40 N ATOM 619 CA LYS A 49 7.619 8.138 8.959 1.00 11.30 C ATOM 620 C LYS A 49 7.621 9.613 9.346 1.00 11.30 C ATOM 621 O LYS A 49 8.503 10.073 10.072 1.00 2.11 O ATOM 622 CB LYS A 49 8.244 7.961 7.574 1.00 21.30 C ATOM 623 CG LYS A 49 9.684 8.442 7.490 1.00 70.10 C ATOM 624 CD LYS A 49 9.767 9.857 6.942 1.00 11.40 C ATOM 625 CE LYS A 49 11.032 10.561 7.408 1.00 12.20 C ATOM 626 NZ LYS A 49 12.234 10.093 6.664 1.00 31.20 N ATOM 0 H LYS A 49 5.853 7.463 8.051 1.00 14.40 H new ATOM 0 HA LYS A 49 8.212 7.588 9.690 1.00 11.30 H new ATOM 0 HB2 LYS A 49 8.205 6.907 7.299 1.00 21.30 H new ATOM 0 HB3 LYS A 49 7.645 8.503 6.842 1.00 21.30 H new ATOM 0 HG2 LYS A 49 10.139 8.407 8.480 1.00 70.10 H new ATOM 0 HG3 LYS A 49 10.257 7.769 6.852 1.00 70.10 H new ATOM 0 HD2 LYS A 49 9.745 9.828 5.853 1.00 11.40 H new ATOM 0 HD3 LYS A 49 8.894 10.425 7.263 1.00 11.40 H new ATOM 0 HE2 LYS A 49 10.919 11.637 7.275 1.00 12.20 H new ATOM 0 HE3 LYS A 49 11.174 10.385 8.474 1.00 12.20 H new ATOM 0 HZ1 LYS A 49 13.075 10.597 7.011 1.00 31.20 H new ATOM 0 HZ2 LYS A 49 12.357 9.071 6.811 1.00 31.20 H new ATOM 0 HZ3 LYS A 49 12.110 10.284 5.649 1.00 31.20 H new ATOM 640 N TYR A 50 6.629 10.349 8.857 1.00 41.50 N ATOM 641 CA TYR A 50 6.517 11.773 9.152 1.00 10.10 C ATOM 642 C TYR A 50 5.947 11.996 10.549 1.00 42.20 C ATOM 643 O TYR A 50 6.669 12.375 11.472 1.00 71.20 O ATOM 644 CB TYR A 50 5.631 12.463 8.112 1.00 33.30 C ATOM 645 CG TYR A 50 6.345 12.764 6.813 1.00 65.20 C ATOM 646 CD1 TYR A 50 7.049 11.774 6.139 1.00 21.50 C ATOM 647 CD2 TYR A 50 6.314 14.039 6.261 1.00 71.40 C ATOM 648 CE1 TYR A 50 7.702 12.046 4.952 1.00 2.12 C ATOM 649 CE2 TYR A 50 6.964 14.318 5.074 1.00 52.40 C ATOM 650 CZ TYR A 50 7.656 13.319 4.424 1.00 63.50 C ATOM 651 OH TYR A 50 8.305 13.593 3.242 1.00 2.31 O ATOM 0 H TYR A 50 5.891 9.984 8.255 1.00 41.50 H new ATOM 0 HA TYR A 50 7.517 12.206 9.113 1.00 10.10 H new ATOM 0 HB2 TYR A 50 4.768 11.830 7.905 1.00 33.30 H new ATOM 0 HB3 TYR A 50 5.250 13.394 8.532 1.00 33.30 H new ATOM 0 HD1 TYR A 50 7.087 10.776 6.549 1.00 21.50 H new ATOM 0 HD2 TYR A 50 5.773 14.824 6.768 1.00 71.40 H new ATOM 0 HE1 TYR A 50 8.246 11.266 4.440 1.00 2.12 H new ATOM 0 HE2 TYR A 50 6.930 15.314 4.658 1.00 52.40 H new ATOM 0 HH TYR A 50 7.706 13.406 2.489 1.00 2.31 H new ATOM 661 N GLU A 51 4.648 11.758 10.698 1.00 62.40 N ATOM 662 CA GLU A 51 3.982 11.933 11.984 1.00 65.50 C ATOM 663 C GLU A 51 2.649 11.191 12.011 1.00 12.50 C ATOM 664 O GLU A 51 1.640 11.689 11.512 1.00 43.30 O ATOM 665 CB GLU A 51 3.758 13.419 12.268 1.00 54.20 C ATOM 666 CG GLU A 51 3.209 14.190 11.078 1.00 20.20 C ATOM 667 CD GLU A 51 2.616 15.527 11.473 1.00 14.10 C ATOM 668 OE1 GLU A 51 3.390 16.491 11.654 1.00 4.24 O ATOM 669 OE2 GLU A 51 1.376 15.612 11.603 1.00 43.00 O ATOM 0 H GLU A 51 4.036 11.444 9.945 1.00 62.40 H new ATOM 0 HA GLU A 51 4.626 11.516 12.758 1.00 65.50 H new ATOM 0 HB2 GLU A 51 3.068 13.520 13.106 1.00 54.20 H new ATOM 0 HB3 GLU A 51 4.702 13.868 12.577 1.00 54.20 H new ATOM 0 HG2 GLU A 51 4.008 14.351 10.354 1.00 20.20 H new ATOM 0 HG3 GLU A 51 2.446 13.590 10.582 1.00 20.20 H new ATOM 676 N ALA A 52 2.653 9.998 12.596 1.00 42.20 N ATOM 677 CA ALA A 52 1.445 9.188 12.689 1.00 24.40 C ATOM 678 C ALA A 52 0.418 9.837 13.610 1.00 63.00 C ATOM 679 O ALA A 52 0.575 10.988 14.018 1.00 75.30 O ATOM 680 CB ALA A 52 1.785 7.788 13.178 1.00 2.35 C ATOM 0 H ALA A 52 3.480 9.571 13.013 1.00 42.20 H new ATOM 0 HA ALA A 52 1.007 9.117 11.693 1.00 24.40 H new ATOM 0 HB1 ALA A 52 0.873 7.194 13.243 1.00 2.35 H new ATOM 0 HB2 ALA A 52 2.477 7.317 12.480 1.00 2.35 H new ATOM 0 HB3 ALA A 52 2.249 7.849 14.162 1.00 2.35 H new ATOM 686 N GLN A 53 -0.633 9.092 13.935 1.00 63.30 N ATOM 687 CA GLN A 53 -1.686 9.595 14.809 1.00 72.10 C ATOM 688 C GLN A 53 -1.394 9.254 16.266 1.00 41.20 C ATOM 689 O GLN A 53 -1.589 10.079 17.159 1.00 72.40 O ATOM 690 CB GLN A 53 -3.040 9.013 14.398 1.00 22.30 C ATOM 691 CG GLN A 53 -3.328 9.134 12.910 1.00 72.30 C ATOM 692 CD GLN A 53 -2.900 7.905 12.133 1.00 10.20 C ATOM 693 OE1 GLN A 53 -3.448 6.818 12.316 1.00 45.40 O ATOM 694 NE2 GLN A 53 -1.915 8.071 11.258 1.00 23.20 N ATOM 0 H GLN A 53 -0.778 8.137 13.606 1.00 63.30 H new ATOM 0 HA GLN A 53 -1.719 10.680 14.709 1.00 72.10 H new ATOM 0 HB2 GLN A 53 -3.075 7.961 14.682 1.00 22.30 H new ATOM 0 HB3 GLN A 53 -3.828 9.520 14.955 1.00 22.30 H new ATOM 0 HG2 GLN A 53 -4.395 9.300 12.762 1.00 72.30 H new ATOM 0 HG3 GLN A 53 -2.812 10.008 12.513 1.00 72.30 H new ATOM 0 HE21 GLN A 53 -1.489 8.990 11.138 1.00 23.20 H new ATOM 0 HE22 GLN A 53 -1.585 7.280 10.706 1.00 23.20 H new ATOM 703 N GLY A 54 -0.925 8.032 16.499 1.00 62.50 N ATOM 704 CA GLY A 54 -0.613 7.603 17.850 1.00 71.20 C ATOM 705 C GLY A 54 0.149 6.293 17.881 1.00 20.20 C ATOM 706 O GLY A 54 0.440 5.712 16.836 1.00 1.35 O ATOM 0 H GLY A 54 -0.756 7.332 15.777 1.00 62.50 H new ATOM 0 HA2 GLY A 54 -0.024 8.374 18.346 1.00 71.20 H new ATOM 0 HA3 GLY A 54 -1.538 7.495 18.416 1.00 71.20 H new ATOM 710 N ASP A 55 0.472 5.828 19.083 1.00 22.40 N ATOM 711 CA ASP A 55 1.205 4.578 19.247 1.00 45.20 C ATOM 712 C ASP A 55 0.426 3.408 18.654 1.00 61.50 C ATOM 713 O ASP A 55 0.975 2.600 17.905 1.00 63.40 O ATOM 714 CB ASP A 55 1.488 4.318 20.728 1.00 51.40 C ATOM 715 CG ASP A 55 2.110 5.517 21.416 1.00 0.31 C ATOM 716 OD1 ASP A 55 3.318 5.760 21.210 1.00 60.00 O ATOM 717 OD2 ASP A 55 1.389 6.213 22.162 1.00 13.10 O ATOM 0 H ASP A 55 0.238 6.298 19.958 1.00 22.40 H new ATOM 0 HA ASP A 55 2.151 4.669 18.714 1.00 45.20 H new ATOM 0 HB2 ASP A 55 0.558 4.055 21.232 1.00 51.40 H new ATOM 0 HB3 ASP A 55 2.155 3.461 20.823 1.00 51.40 H new ATOM 722 N LYS A 56 -0.856 3.325 18.993 1.00 42.20 N ATOM 723 CA LYS A 56 -1.710 2.254 18.494 1.00 11.20 C ATOM 724 C LYS A 56 -1.938 2.395 16.993 1.00 24.20 C ATOM 725 O LYS A 56 -2.100 1.402 16.283 1.00 32.10 O ATOM 726 CB LYS A 56 -3.053 2.260 19.228 1.00 22.10 C ATOM 727 CG LYS A 56 -3.985 1.139 18.800 1.00 14.20 C ATOM 728 CD LYS A 56 -5.433 1.460 19.134 1.00 14.40 C ATOM 729 CE LYS A 56 -6.361 0.321 18.744 1.00 24.30 C ATOM 730 NZ LYS A 56 -7.790 0.662 18.985 1.00 25.10 N ATOM 0 H LYS A 56 -1.326 3.986 19.611 1.00 42.20 H new ATOM 0 HA LYS A 56 -1.206 1.305 18.680 1.00 11.20 H new ATOM 0 HB2 LYS A 56 -2.872 2.181 20.300 1.00 22.10 H new ATOM 0 HB3 LYS A 56 -3.547 3.217 19.057 1.00 22.10 H new ATOM 0 HG2 LYS A 56 -3.886 0.972 17.727 1.00 14.20 H new ATOM 0 HG3 LYS A 56 -3.693 0.213 19.295 1.00 14.20 H new ATOM 0 HD2 LYS A 56 -5.526 1.657 20.202 1.00 14.40 H new ATOM 0 HD3 LYS A 56 -5.734 2.370 18.615 1.00 14.40 H new ATOM 0 HE2 LYS A 56 -6.218 0.081 17.691 1.00 24.30 H new ATOM 0 HE3 LYS A 56 -6.100 -0.571 19.313 1.00 24.30 H new ATOM 0 HZ1 LYS A 56 -8.390 -0.140 18.706 1.00 25.10 H new ATOM 0 HZ2 LYS A 56 -7.933 0.867 19.995 1.00 25.10 H new ATOM 0 HZ3 LYS A 56 -8.047 1.498 18.423 1.00 25.10 H new ATOM 744 N ALA A 57 -1.950 3.635 16.515 1.00 21.30 N ATOM 745 CA ALA A 57 -2.157 3.906 15.098 1.00 4.33 C ATOM 746 C ALA A 57 -0.955 3.462 14.272 1.00 51.30 C ATOM 747 O ALA A 57 -1.107 2.871 13.203 1.00 34.40 O ATOM 748 CB ALA A 57 -2.433 5.386 14.879 1.00 11.00 C ATOM 0 H ALA A 57 -1.819 4.468 17.089 1.00 21.30 H new ATOM 0 HA ALA A 57 -3.023 3.333 14.767 1.00 4.33 H new ATOM 0 HB1 ALA A 57 -2.586 5.574 13.816 1.00 11.00 H new ATOM 0 HB2 ALA A 57 -3.327 5.675 15.431 1.00 11.00 H new ATOM 0 HB3 ALA A 57 -1.584 5.971 15.233 1.00 11.00 H new ATOM 754 N LYS A 58 0.241 3.751 14.775 1.00 62.50 N ATOM 755 CA LYS A 58 1.471 3.381 14.083 1.00 63.20 C ATOM 756 C LYS A 58 1.559 1.869 13.900 1.00 70.10 C ATOM 757 O LYS A 58 1.833 1.382 12.803 1.00 40.40 O ATOM 758 CB LYS A 58 2.689 3.883 14.861 1.00 0.24 C ATOM 759 CG LYS A 58 2.797 5.399 14.908 1.00 31.50 C ATOM 760 CD LYS A 58 3.708 5.857 16.035 1.00 54.20 C ATOM 761 CE LYS A 58 4.008 7.344 15.940 1.00 3.33 C ATOM 762 NZ LYS A 58 5.281 7.609 15.214 1.00 52.30 N ATOM 0 H LYS A 58 0.385 4.240 15.659 1.00 62.50 H new ATOM 0 HA LYS A 58 1.459 3.848 13.098 1.00 63.20 H new ATOM 0 HB2 LYS A 58 2.643 3.498 15.880 1.00 0.24 H new ATOM 0 HB3 LYS A 58 3.593 3.476 14.407 1.00 0.24 H new ATOM 0 HG2 LYS A 58 3.180 5.767 13.956 1.00 31.50 H new ATOM 0 HG3 LYS A 58 1.805 5.832 15.041 1.00 31.50 H new ATOM 0 HD2 LYS A 58 3.239 5.640 16.995 1.00 54.20 H new ATOM 0 HD3 LYS A 58 4.641 5.294 16.002 1.00 54.20 H new ATOM 0 HE2 LYS A 58 3.187 7.848 15.429 1.00 3.33 H new ATOM 0 HE3 LYS A 58 4.067 7.767 16.943 1.00 3.33 H new ATOM 0 HZ1 LYS A 58 5.449 8.634 15.171 1.00 52.30 H new ATOM 0 HZ2 LYS A 58 6.068 7.150 15.715 1.00 52.30 H new ATOM 0 HZ3 LYS A 58 5.216 7.228 14.248 1.00 52.30 H new ATOM 776 N GLN A 59 1.324 1.132 14.980 1.00 20.30 N ATOM 777 CA GLN A 59 1.376 -0.324 14.938 1.00 75.40 C ATOM 778 C GLN A 59 0.357 -0.877 13.947 1.00 31.30 C ATOM 779 O GLN A 59 0.589 -1.904 13.310 1.00 30.20 O ATOM 780 CB GLN A 59 1.118 -0.905 16.330 1.00 74.30 C ATOM 781 CG GLN A 59 -0.220 -0.495 16.922 1.00 71.20 C ATOM 782 CD GLN A 59 -0.542 -1.237 18.204 1.00 72.00 C ATOM 783 OE1 GLN A 59 -0.135 -0.670 19.334 1.00 25.30 O flip ATOM 784 NE2 GLN A 59 -1.150 -2.308 18.180 1.00 74.10 N flip ATOM 0 H GLN A 59 1.096 1.519 15.895 1.00 20.30 H new ATOM 0 HA GLN A 59 2.373 -0.617 14.608 1.00 75.40 H new ATOM 0 HB2 GLN A 59 1.163 -1.993 16.275 1.00 74.30 H new ATOM 0 HB3 GLN A 59 1.916 -0.586 17.001 1.00 74.30 H new ATOM 0 HG2 GLN A 59 -0.213 0.577 17.119 1.00 71.20 H new ATOM 0 HG3 GLN A 59 -1.008 -0.680 16.192 1.00 71.20 H new ATOM 0 HE21 GLN A 59 -1.444 -2.708 17.289 1.00 74.10 H new ATOM 0 HE22 GLN A 59 -1.359 -2.795 19.051 1.00 74.10 H new ATOM 793 N SER A 60 -0.773 -0.188 13.821 1.00 1.11 N ATOM 794 CA SER A 60 -1.828 -0.609 12.907 1.00 41.20 C ATOM 795 C SER A 60 -1.342 -0.570 11.462 1.00 20.40 C ATOM 796 O SER A 60 -1.598 -1.491 10.686 1.00 24.20 O ATOM 797 CB SER A 60 -3.058 0.285 13.068 1.00 43.20 C ATOM 798 OG SER A 60 -4.237 -0.393 12.670 1.00 51.30 O ATOM 0 H SER A 60 -0.981 0.665 14.341 1.00 1.11 H new ATOM 0 HA SER A 60 -2.100 -1.636 13.153 1.00 41.20 H new ATOM 0 HB2 SER A 60 -3.149 0.600 14.108 1.00 43.20 H new ATOM 0 HB3 SER A 60 -2.935 1.189 12.471 1.00 43.20 H new ATOM 0 HG SER A 60 -5.009 0.199 12.784 1.00 51.30 H new ATOM 804 N ILE A 61 -0.642 0.502 11.106 1.00 2.43 N ATOM 805 CA ILE A 61 -0.121 0.660 9.754 1.00 11.20 C ATOM 806 C ILE A 61 1.046 -0.288 9.501 1.00 52.30 C ATOM 807 O ILE A 61 1.229 -0.780 8.387 1.00 32.20 O ATOM 808 CB ILE A 61 0.343 2.107 9.496 1.00 3.03 C ATOM 809 CG1 ILE A 61 -0.745 3.097 9.915 1.00 55.10 C ATOM 810 CG2 ILE A 61 0.701 2.295 8.029 1.00 4.05 C ATOM 811 CD1 ILE A 61 -0.359 4.545 9.705 1.00 64.20 C ATOM 0 H ILE A 61 -0.423 1.274 11.735 1.00 2.43 H new ATOM 0 HA ILE A 61 -0.936 0.420 9.071 1.00 11.20 H new ATOM 0 HB ILE A 61 1.233 2.299 10.095 1.00 3.03 H new ATOM 0 HG12 ILE A 61 -1.653 2.886 9.351 1.00 55.10 H new ATOM 0 HG13 ILE A 61 -0.980 2.941 10.968 1.00 55.10 H new ATOM 0 HG21 ILE A 61 1.027 3.322 7.863 1.00 4.05 H new ATOM 0 HG22 ILE A 61 1.506 1.611 7.760 1.00 4.05 H new ATOM 0 HG23 ILE A 61 -0.173 2.087 7.412 1.00 4.05 H new ATOM 0 HD11 ILE A 61 -1.178 5.190 10.024 1.00 64.20 H new ATOM 0 HD12 ILE A 61 0.531 4.773 10.291 1.00 64.20 H new ATOM 0 HD13 ILE A 61 -0.152 4.717 8.649 1.00 64.20 H new ATOM 823 N ARG A 62 1.833 -0.541 10.541 1.00 63.10 N ATOM 824 CA ARG A 62 2.983 -1.431 10.431 1.00 23.40 C ATOM 825 C ARG A 62 2.548 -2.833 10.015 1.00 1.35 C ATOM 826 O ARG A 62 3.182 -3.466 9.171 1.00 54.20 O ATOM 827 CB ARG A 62 3.737 -1.492 11.761 1.00 22.10 C ATOM 828 CG ARG A 62 4.532 -0.233 12.068 1.00 74.30 C ATOM 829 CD ARG A 62 4.671 -0.014 13.565 1.00 62.40 C ATOM 830 NE ARG A 62 5.924 0.656 13.906 1.00 72.20 N ATOM 831 CZ ARG A 62 6.368 0.808 15.152 1.00 55.30 C ATOM 832 NH1 ARG A 62 5.666 0.340 16.176 1.00 40.10 N ATOM 833 NH2 ARG A 62 7.518 1.429 15.374 1.00 34.10 N ATOM 0 H ARG A 62 1.696 -0.142 11.470 1.00 63.10 H new ATOM 0 HA ARG A 62 3.647 -1.033 9.663 1.00 23.40 H new ATOM 0 HB2 ARG A 62 3.023 -1.666 12.566 1.00 22.10 H new ATOM 0 HB3 ARG A 62 4.415 -2.345 11.746 1.00 22.10 H new ATOM 0 HG2 ARG A 62 5.521 -0.307 11.617 1.00 74.30 H new ATOM 0 HG3 ARG A 62 4.040 0.629 11.617 1.00 74.30 H new ATOM 0 HD2 ARG A 62 3.832 0.582 13.924 1.00 62.40 H new ATOM 0 HD3 ARG A 62 4.622 -0.974 14.078 1.00 62.40 H new ATOM 0 HE ARG A 62 6.492 1.029 13.145 1.00 72.20 H new ATOM 0 HH11 ARG A 62 4.781 -0.139 16.011 1.00 40.10 H new ATOM 0 HH12 ARG A 62 6.011 0.460 17.128 1.00 40.10 H new ATOM 0 HH21 ARG A 62 8.062 1.790 14.590 1.00 34.10 H new ATOM 0 HH22 ARG A 62 7.859 1.546 16.328 1.00 34.10 H new ATOM 847 N ALA A 63 1.462 -3.311 10.613 1.00 74.50 N ATOM 848 CA ALA A 63 0.941 -4.637 10.305 1.00 53.00 C ATOM 849 C ALA A 63 0.339 -4.679 8.904 1.00 64.40 C ATOM 850 O ALA A 63 0.452 -5.682 8.199 1.00 75.10 O ATOM 851 CB ALA A 63 -0.095 -5.051 11.339 1.00 44.30 C ATOM 0 H ALA A 63 0.926 -2.800 11.314 1.00 74.50 H new ATOM 0 HA ALA A 63 1.771 -5.342 10.337 1.00 53.00 H new ATOM 0 HB1 ALA A 63 -0.475 -6.043 11.096 1.00 44.30 H new ATOM 0 HB2 ALA A 63 0.365 -5.071 12.327 1.00 44.30 H new ATOM 0 HB3 ALA A 63 -0.918 -4.336 11.336 1.00 44.30 H new ATOM 857 N LYS A 64 -0.300 -3.583 8.508 1.00 31.50 N ATOM 858 CA LYS A 64 -0.920 -3.495 7.191 1.00 24.20 C ATOM 859 C LYS A 64 0.134 -3.308 6.105 1.00 53.10 C ATOM 860 O LYS A 64 0.045 -3.903 5.031 1.00 35.10 O ATOM 861 CB LYS A 64 -1.920 -2.338 7.152 1.00 12.10 C ATOM 862 CG LYS A 64 -3.134 -2.553 8.040 1.00 53.40 C ATOM 863 CD LYS A 64 -4.388 -1.950 7.426 1.00 75.50 C ATOM 864 CE LYS A 64 -4.553 -0.491 7.817 1.00 62.50 C ATOM 865 NZ LYS A 64 -5.869 0.055 7.383 1.00 14.10 N ATOM 0 H LYS A 64 -0.402 -2.744 9.080 1.00 31.50 H new ATOM 0 HA LYS A 64 -1.448 -4.430 7.002 1.00 24.20 H new ATOM 0 HB2 LYS A 64 -1.415 -1.422 7.457 1.00 12.10 H new ATOM 0 HB3 LYS A 64 -2.253 -2.191 6.125 1.00 12.10 H new ATOM 0 HG2 LYS A 64 -3.284 -3.621 8.201 1.00 53.40 H new ATOM 0 HG3 LYS A 64 -2.955 -2.105 9.018 1.00 53.40 H new ATOM 0 HD2 LYS A 64 -4.339 -2.034 6.340 1.00 75.50 H new ATOM 0 HD3 LYS A 64 -5.261 -2.516 7.750 1.00 75.50 H new ATOM 0 HE2 LYS A 64 -4.458 -0.392 8.898 1.00 62.50 H new ATOM 0 HE3 LYS A 64 -3.751 0.097 7.371 1.00 62.50 H new ATOM 0 HZ1 LYS A 64 -5.942 1.052 7.669 1.00 14.10 H new ATOM 0 HZ2 LYS A 64 -5.950 -0.016 6.349 1.00 14.10 H new ATOM 0 HZ3 LYS A 64 -6.635 -0.490 7.828 1.00 14.10 H new ATOM 879 N CYS A 65 1.131 -2.478 6.392 1.00 53.50 N ATOM 880 CA CYS A 65 2.203 -2.214 5.439 1.00 34.30 C ATOM 881 C CYS A 65 2.975 -3.490 5.119 1.00 21.30 C ATOM 882 O CYS A 65 3.487 -3.656 4.012 1.00 45.10 O ATOM 883 CB CYS A 65 3.156 -1.153 5.994 1.00 14.30 C ATOM 884 SG CYS A 65 2.702 0.544 5.566 1.00 35.20 S ATOM 0 H CYS A 65 1.219 -1.977 7.276 1.00 53.50 H new ATOM 0 HA CYS A 65 1.753 -1.844 4.518 1.00 34.30 H new ATOM 0 HB2 CYS A 65 3.193 -1.245 7.079 1.00 14.30 H new ATOM 0 HB3 CYS A 65 4.161 -1.353 5.623 1.00 14.30 H new ATOM 0 HG CYS A 65 3.275 1.368 6.393 1.00 35.20 H new ATOM 890 N THR A 66 3.053 -4.389 6.095 1.00 5.21 N ATOM 891 CA THR A 66 3.761 -5.651 5.917 1.00 13.40 C ATOM 892 C THR A 66 2.878 -6.676 5.213 1.00 41.10 C ATOM 893 O THR A 66 3.369 -7.528 4.472 1.00 22.30 O ATOM 894 CB THR A 66 4.219 -6.198 7.269 1.00 41.50 C ATOM 895 OG1 THR A 66 4.961 -7.393 7.102 1.00 14.30 O ATOM 896 CG2 THR A 66 3.074 -6.497 8.213 1.00 65.10 C ATOM 0 H THR A 66 2.635 -4.267 7.017 1.00 5.21 H new ATOM 0 HA THR A 66 4.636 -5.463 5.294 1.00 13.40 H new ATOM 0 HB THR A 66 4.833 -5.410 7.706 1.00 41.50 H new ATOM 0 HG1 THR A 66 5.246 -7.726 7.978 1.00 14.30 H new ATOM 0 HG21 THR A 66 3.469 -6.882 9.153 1.00 65.10 H new ATOM 0 HG22 THR A 66 2.511 -5.583 8.403 1.00 65.10 H new ATOM 0 HG23 THR A 66 2.417 -7.242 7.764 1.00 65.10 H new ATOM 904 N GLU A 67 1.574 -6.588 5.449 1.00 22.20 N ATOM 905 CA GLU A 67 0.622 -7.508 4.838 1.00 63.10 C ATOM 906 C GLU A 67 0.470 -7.222 3.347 1.00 35.40 C ATOM 907 O GLU A 67 0.532 -8.132 2.521 1.00 72.10 O ATOM 908 CB GLU A 67 -0.738 -7.402 5.530 1.00 32.20 C ATOM 909 CG GLU A 67 -1.780 -8.358 4.973 1.00 3.44 C ATOM 910 CD GLU A 67 -3.122 -8.227 5.667 1.00 21.30 C ATOM 911 OE1 GLU A 67 -3.865 -7.276 5.347 1.00 2.33 O ATOM 912 OE2 GLU A 67 -3.429 -9.076 6.530 1.00 42.40 O ATOM 0 H GLU A 67 1.152 -5.888 6.059 1.00 22.20 H new ATOM 0 HA GLU A 67 1.005 -8.521 4.959 1.00 63.10 H new ATOM 0 HB2 GLU A 67 -0.611 -7.597 6.595 1.00 32.20 H new ATOM 0 HB3 GLU A 67 -1.106 -6.381 5.435 1.00 32.20 H new ATOM 0 HG2 GLU A 67 -1.907 -8.170 3.907 1.00 3.44 H new ATOM 0 HG3 GLU A 67 -1.420 -9.382 5.076 1.00 3.44 H new ATOM 919 N TYR A 68 0.270 -5.952 3.011 1.00 32.00 N ATOM 920 CA TYR A 68 0.110 -5.546 1.619 1.00 0.12 C ATOM 921 C TYR A 68 1.404 -5.753 0.839 1.00 10.10 C ATOM 922 O TYR A 68 1.387 -6.231 -0.295 1.00 3.50 O ATOM 923 CB TYR A 68 -0.318 -4.080 1.540 1.00 12.40 C ATOM 924 CG TYR A 68 -1.623 -3.790 2.248 1.00 43.40 C ATOM 925 CD1 TYR A 68 -2.721 -4.626 2.090 1.00 2.13 C ATOM 926 CD2 TYR A 68 -1.756 -2.681 3.073 1.00 64.50 C ATOM 927 CE1 TYR A 68 -3.915 -4.364 2.735 1.00 34.40 C ATOM 928 CE2 TYR A 68 -2.946 -2.413 3.722 1.00 53.50 C ATOM 929 CZ TYR A 68 -4.022 -3.257 3.549 1.00 54.40 C ATOM 930 OH TYR A 68 -5.209 -2.993 4.193 1.00 2.45 O ATOM 0 H TYR A 68 0.215 -5.186 3.683 1.00 32.00 H new ATOM 0 HA TYR A 68 -0.665 -6.168 1.172 1.00 0.12 H new ATOM 0 HB2 TYR A 68 0.466 -3.458 1.972 1.00 12.40 H new ATOM 0 HB3 TYR A 68 -0.411 -3.794 0.492 1.00 12.40 H new ATOM 0 HD1 TYR A 68 -2.640 -5.494 1.453 1.00 2.13 H new ATOM 0 HD2 TYR A 68 -0.915 -2.017 3.210 1.00 64.50 H new ATOM 0 HE1 TYR A 68 -4.760 -5.023 2.602 1.00 34.40 H new ATOM 0 HE2 TYR A 68 -3.033 -1.547 4.361 1.00 53.50 H new ATOM 0 HH TYR A 68 -5.281 -3.558 4.990 1.00 2.45 H new ATOM 940 N LEU A 69 2.524 -5.390 1.455 1.00 4.40 N ATOM 941 CA LEU A 69 3.828 -5.536 0.818 1.00 44.10 C ATOM 942 C LEU A 69 4.112 -6.997 0.488 1.00 13.10 C ATOM 943 O LEU A 69 4.715 -7.306 -0.540 1.00 51.00 O ATOM 944 CB LEU A 69 4.928 -4.983 1.727 1.00 74.10 C ATOM 945 CG LEU A 69 5.165 -3.476 1.613 1.00 61.30 C ATOM 946 CD1 LEU A 69 6.061 -2.990 2.742 1.00 32.10 C ATOM 947 CD2 LEU A 69 5.775 -3.134 0.262 1.00 40.30 C ATOM 0 H LEU A 69 2.555 -4.993 2.394 1.00 4.40 H new ATOM 0 HA LEU A 69 3.815 -4.968 -0.112 1.00 44.10 H new ATOM 0 HB2 LEU A 69 4.676 -5.219 2.761 1.00 74.10 H new ATOM 0 HB3 LEU A 69 5.860 -5.500 1.500 1.00 74.10 H new ATOM 0 HG LEU A 69 4.204 -2.969 1.695 1.00 61.30 H new ATOM 0 HD11 LEU A 69 6.219 -1.916 2.645 1.00 32.10 H new ATOM 0 HD12 LEU A 69 5.586 -3.202 3.700 1.00 32.10 H new ATOM 0 HD13 LEU A 69 7.021 -3.504 2.691 1.00 32.10 H new ATOM 0 HD21 LEU A 69 5.937 -2.058 0.198 1.00 40.30 H new ATOM 0 HD22 LEU A 69 6.728 -3.652 0.151 1.00 40.30 H new ATOM 0 HD23 LEU A 69 5.098 -3.447 -0.533 1.00 40.30 H new ATOM 959 N ASP A 70 3.674 -7.893 1.367 1.00 15.50 N ATOM 960 CA ASP A 70 3.881 -9.323 1.169 1.00 33.30 C ATOM 961 C ASP A 70 3.101 -9.823 -0.043 1.00 12.30 C ATOM 962 O ASP A 70 3.606 -10.620 -0.833 1.00 63.00 O ATOM 963 CB ASP A 70 3.458 -10.090 2.418 1.00 53.40 C ATOM 964 CG ASP A 70 4.251 -11.370 2.600 1.00 73.20 C ATOM 965 OD1 ASP A 70 5.447 -11.290 2.950 1.00 23.20 O ATOM 966 OD2 ASP A 70 3.676 -12.460 2.392 1.00 52.10 O ATOM 0 H ASP A 70 3.174 -7.654 2.223 1.00 15.50 H new ATOM 0 HA ASP A 70 4.942 -9.494 0.987 1.00 33.30 H new ATOM 0 HB2 ASP A 70 3.590 -9.455 3.294 1.00 53.40 H new ATOM 0 HB3 ASP A 70 2.396 -10.328 2.354 1.00 53.40 H new ATOM 971 N ARG A 71 1.867 -9.349 -0.182 1.00 3.14 N ATOM 972 CA ARG A 71 1.017 -9.748 -1.298 1.00 11.40 C ATOM 973 C ARG A 71 1.490 -9.108 -2.599 1.00 43.10 C ATOM 974 O ARG A 71 1.658 -9.788 -3.611 1.00 23.40 O ATOM 975 CB ARG A 71 -0.437 -9.358 -1.023 1.00 5.14 C ATOM 976 CG ARG A 71 -1.447 -10.350 -1.572 1.00 51.10 C ATOM 977 CD ARG A 71 -2.696 -10.410 -0.707 1.00 24.30 C ATOM 978 NE ARG A 71 -3.897 -10.670 -1.495 1.00 72.10 N ATOM 979 CZ ARG A 71 -5.115 -10.790 -0.973 1.00 44.50 C ATOM 980 NH1 ARG A 71 -5.299 -10.670 0.336 1.00 21.40 N ATOM 981 NH2 ARG A 71 -6.153 -11.030 -1.762 1.00 53.00 N ATOM 0 H ARG A 71 1.434 -8.689 0.464 1.00 3.14 H new ATOM 0 HA ARG A 71 1.082 -10.831 -1.403 1.00 11.40 H new ATOM 0 HB2 ARG A 71 -0.582 -9.263 0.053 1.00 5.14 H new ATOM 0 HB3 ARG A 71 -0.630 -8.377 -1.458 1.00 5.14 H new ATOM 0 HG2 ARG A 71 -1.720 -10.067 -2.589 1.00 51.10 H new ATOM 0 HG3 ARG A 71 -0.994 -11.340 -1.627 1.00 51.10 H new ATOM 0 HD2 ARG A 71 -2.579 -11.191 0.044 1.00 24.30 H new ATOM 0 HD3 ARG A 71 -2.811 -9.468 -0.171 1.00 24.30 H new ATOM 0 HE ARG A 71 -3.797 -10.765 -2.506 1.00 72.10 H new ATOM 0 HH11 ARG A 71 -4.504 -10.485 0.948 1.00 21.40 H new ATOM 0 HH12 ARG A 71 -6.235 -10.763 0.730 1.00 21.40 H new ATOM 0 HH21 ARG A 71 -6.018 -11.123 -2.769 1.00 53.00 H new ATOM 0 HH22 ARG A 71 -7.087 -11.122 -1.362 1.00 53.00 H new ATOM 995 N ALA A 72 1.703 -7.797 -2.564 1.00 64.30 N ATOM 996 CA ALA A 72 2.157 -7.065 -3.740 1.00 65.40 C ATOM 997 C ALA A 72 3.502 -7.592 -4.229 1.00 22.20 C ATOM 998 O ALA A 72 3.756 -7.652 -5.432 1.00 73.30 O ATOM 999 CB ALA A 72 2.250 -5.578 -3.432 1.00 41.10 C ATOM 0 H ALA A 72 1.568 -7.220 -1.734 1.00 64.30 H new ATOM 0 HA ALA A 72 1.427 -7.215 -4.536 1.00 65.40 H new ATOM 0 HB1 ALA A 72 2.590 -5.043 -4.319 1.00 41.10 H new ATOM 0 HB2 ALA A 72 1.269 -5.205 -3.138 1.00 41.10 H new ATOM 0 HB3 ALA A 72 2.958 -5.419 -2.618 1.00 41.10 H new ATOM 1005 N GLU A 73 4.360 -7.972 -3.288 1.00 14.00 N ATOM 1006 CA GLU A 73 5.680 -8.494 -3.623 1.00 14.30 C ATOM 1007 C GLU A 73 5.566 -9.786 -4.426 1.00 52.10 C ATOM 1008 O GLU A 73 6.245 -9.961 -5.437 1.00 35.50 O ATOM 1009 CB GLU A 73 6.491 -8.741 -2.350 1.00 2.10 C ATOM 1010 CG GLU A 73 7.271 -7.524 -1.880 1.00 34.20 C ATOM 1011 CD GLU A 73 8.740 -7.594 -2.250 1.00 52.20 C ATOM 1012 OE1 GLU A 73 9.500 -8.281 -1.536 1.00 3.13 O ATOM 1013 OE2 GLU A 73 9.130 -6.963 -3.255 1.00 13.50 O ATOM 0 H GLU A 73 4.165 -7.928 -2.288 1.00 14.00 H new ATOM 0 HA GLU A 73 6.193 -7.752 -4.234 1.00 14.30 H new ATOM 0 HB2 GLU A 73 5.816 -9.059 -1.555 1.00 2.10 H new ATOM 0 HB3 GLU A 73 7.186 -9.562 -2.526 1.00 2.10 H new ATOM 0 HG2 GLU A 73 6.833 -6.626 -2.315 1.00 34.20 H new ATOM 0 HG3 GLU A 73 7.177 -7.432 -0.798 1.00 34.20 H new ATOM 1020 N LYS A 74 4.703 -10.680 -3.968 1.00 32.30 N ATOM 1021 CA LYS A 74 4.500 -11.960 -4.645 1.00 41.10 C ATOM 1022 C LYS A 74 3.690 -11.770 -5.924 1.00 55.50 C ATOM 1023 O LYS A 74 3.947 -12.430 -6.933 1.00 45.40 O ATOM 1024 CB LYS A 74 3.790 -12.940 -3.715 1.00 42.20 C ATOM 1025 CG LYS A 74 3.832 -14.380 -4.208 1.00 54.20 C ATOM 1026 CD LYS A 74 2.568 -15.140 -3.830 1.00 63.20 C ATOM 1027 CE LYS A 74 2.817 -16.630 -3.747 1.00 14.30 C ATOM 1028 NZ LYS A 74 2.408 -17.340 -4.995 1.00 12.30 N ATOM 0 H LYS A 74 4.132 -10.547 -3.133 1.00 32.30 H new ATOM 0 HA LYS A 74 5.475 -12.367 -4.911 1.00 41.10 H new ATOM 0 HB2 LYS A 74 4.248 -12.888 -2.727 1.00 42.20 H new ATOM 0 HB3 LYS A 74 2.750 -12.633 -3.601 1.00 42.20 H new ATOM 0 HG2 LYS A 74 3.953 -14.391 -5.291 1.00 54.20 H new ATOM 0 HG3 LYS A 74 4.701 -14.885 -3.785 1.00 54.20 H new ATOM 0 HD2 LYS A 74 2.199 -14.778 -2.870 1.00 63.20 H new ATOM 0 HD3 LYS A 74 1.789 -14.941 -4.566 1.00 63.20 H new ATOM 0 HE2 LYS A 74 3.875 -16.810 -3.559 1.00 14.30 H new ATOM 0 HE3 LYS A 74 2.268 -17.042 -2.900 1.00 14.30 H new ATOM 0 HZ1 LYS A 74 2.597 -18.358 -4.893 1.00 12.30 H new ATOM 0 HZ2 LYS A 74 1.392 -17.191 -5.162 1.00 12.30 H new ATOM 0 HZ3 LYS A 74 2.950 -16.966 -5.800 1.00 12.30 H new ATOM 1042 N LEU A 75 2.712 -10.880 -5.874 1.00 54.10 N ATOM 1043 CA LEU A 75 1.864 -10.600 -7.030 1.00 63.20 C ATOM 1044 C LEU A 75 2.700 -10.140 -8.221 1.00 1.23 C ATOM 1045 O LEU A 75 2.590 -10.690 -9.318 1.00 35.20 O ATOM 1046 CB LEU A 75 0.815 -9.548 -6.681 1.00 43.50 C ATOM 1047 CG LEU A 75 -0.631 -10.040 -6.685 1.00 23.40 C ATOM 1048 CD1 LEU A 75 -1.008 -10.600 -5.322 1.00 23.30 C ATOM 1049 CD2 LEU A 75 -1.577 -8.922 -7.083 1.00 44.30 C ATOM 0 H LEU A 75 2.482 -10.335 -5.043 1.00 54.10 H new ATOM 0 HA LEU A 75 1.355 -11.523 -7.307 1.00 63.20 H new ATOM 0 HB2 LEU A 75 1.042 -9.147 -5.693 1.00 43.50 H new ATOM 0 HB3 LEU A 75 0.903 -8.723 -7.388 1.00 43.50 H new ATOM 0 HG LEU A 75 -0.718 -10.839 -7.421 1.00 23.40 H new ATOM 0 HD11 LEU A 75 -2.042 -10.946 -5.344 1.00 23.30 H new ATOM 0 HD12 LEU A 75 -0.351 -11.435 -5.077 1.00 23.30 H new ATOM 0 HD13 LEU A 75 -0.902 -9.821 -4.567 1.00 23.30 H new ATOM 0 HD21 LEU A 75 -2.602 -9.294 -7.079 1.00 44.30 H new ATOM 0 HD22 LEU A 75 -1.487 -8.099 -6.374 1.00 44.30 H new ATOM 0 HD23 LEU A 75 -1.323 -8.569 -8.082 1.00 44.30 H new ATOM 1061 N LYS A 76 3.536 -9.141 -7.995 1.00 50.40 N ATOM 1062 CA LYS A 76 4.393 -8.609 -9.048 1.00 1.33 C ATOM 1063 C LYS A 76 5.450 -9.630 -9.457 1.00 25.40 C ATOM 1064 O LYS A 76 5.921 -9.629 -10.590 1.00 52.30 O ATOM 1065 CB LYS A 76 5.069 -7.318 -8.582 1.00 62.40 C ATOM 1066 CG LYS A 76 6.008 -7.515 -7.403 1.00 34.00 C ATOM 1067 CD LYS A 76 6.223 -6.218 -6.640 1.00 52.20 C ATOM 1068 CE LYS A 76 7.597 -6.176 -5.989 1.00 63.20 C ATOM 1069 NZ LYS A 76 8.578 -5.417 -6.812 1.00 43.20 N ATOM 0 H LYS A 76 3.642 -8.680 -7.092 1.00 50.40 H new ATOM 0 HA LYS A 76 3.768 -8.392 -9.914 1.00 1.33 H new ATOM 0 HB2 LYS A 76 5.628 -6.890 -9.414 1.00 62.40 H new ATOM 0 HB3 LYS A 76 4.302 -6.594 -8.308 1.00 62.40 H new ATOM 0 HG2 LYS A 76 5.598 -8.270 -6.732 1.00 34.00 H new ATOM 0 HG3 LYS A 76 6.967 -7.892 -7.759 1.00 34.00 H new ATOM 0 HD2 LYS A 76 6.115 -5.373 -7.320 1.00 52.20 H new ATOM 0 HD3 LYS A 76 5.453 -6.113 -5.875 1.00 52.20 H new ATOM 0 HE2 LYS A 76 7.518 -5.717 -5.003 1.00 63.20 H new ATOM 0 HE3 LYS A 76 7.959 -7.193 -5.839 1.00 63.20 H new ATOM 0 HZ1 LYS A 76 9.502 -5.412 -6.334 1.00 43.20 H new ATOM 0 HZ2 LYS A 76 8.673 -5.869 -7.744 1.00 43.20 H new ATOM 0 HZ3 LYS A 76 8.246 -4.439 -6.934 1.00 43.20 H new ATOM 1083 N GLU A 77 5.819 -10.500 -8.521 1.00 73.20 N ATOM 1084 CA GLU A 77 6.822 -11.520 -8.781 1.00 62.40 C ATOM 1085 C GLU A 77 6.452 -12.360 -10.000 1.00 60.50 C ATOM 1086 O GLU A 77 7.223 -12.460 -10.950 1.00 41.40 O ATOM 1087 CB GLU A 77 6.981 -12.430 -7.558 1.00 71.50 C ATOM 1088 CG GLU A 77 8.147 -13.400 -7.666 1.00 43.30 C ATOM 1089 CD GLU A 77 8.509 -14.030 -6.334 1.00 10.30 C ATOM 1090 OE1 GLU A 77 7.789 -14.950 -5.896 1.00 3.03 O ATOM 1091 OE2 GLU A 77 9.513 -13.590 -5.728 1.00 24.10 O ATOM 0 H GLU A 77 5.436 -10.516 -7.576 1.00 73.20 H new ATOM 0 HA GLU A 77 7.767 -11.015 -8.984 1.00 62.40 H new ATOM 0 HB2 GLU A 77 7.115 -11.811 -6.671 1.00 71.50 H new ATOM 0 HB3 GLU A 77 6.061 -12.996 -7.415 1.00 71.50 H new ATOM 0 HG2 GLU A 77 7.896 -14.186 -8.379 1.00 43.30 H new ATOM 0 HG3 GLU A 77 9.016 -12.875 -8.063 1.00 43.30 H new ATOM 1098 N TYR A 78 5.270 -12.970 -9.965 1.00 73.10 N ATOM 1099 CA TYR A 78 4.807 -13.800 -11.070 1.00 40.50 C ATOM 1100 C TYR A 78 4.539 -12.950 -12.310 1.00 33.40 C ATOM 1101 O TYR A 78 4.790 -13.380 -13.430 1.00 31.50 O ATOM 1102 CB TYR A 78 3.546 -14.580 -10.660 1.00 33.30 C ATOM 1103 CG TYR A 78 2.271 -13.760 -10.710 1.00 13.40 C ATOM 1104 CD1 TYR A 78 1.642 -13.480 -11.910 1.00 41.20 C ATOM 1105 CD2 TYR A 78 1.696 -13.270 -9.544 1.00 10.40 C ATOM 1106 CE1 TYR A 78 0.477 -12.740 -11.960 1.00 12.10 C ATOM 1107 CE2 TYR A 78 0.531 -12.530 -9.580 1.00 70.40 C ATOM 1108 CZ TYR A 78 -0.074 -12.260 -10.790 1.00 72.40 C ATOM 1109 OH TYR A 78 -1.234 -11.530 -10.830 1.00 71.40 O ATOM 0 H TYR A 78 4.617 -12.904 -9.184 1.00 73.10 H new ATOM 0 HA TYR A 78 5.591 -14.516 -11.316 1.00 40.50 H new ATOM 0 HB2 TYR A 78 3.436 -15.444 -11.315 1.00 33.30 H new ATOM 0 HB3 TYR A 78 3.681 -14.963 -9.648 1.00 33.30 H new ATOM 0 HD1 TYR A 78 2.072 -13.849 -12.829 1.00 41.20 H new ATOM 0 HD2 TYR A 78 2.168 -13.471 -8.594 1.00 10.40 H new ATOM 0 HE1 TYR A 78 0.001 -12.539 -12.908 1.00 12.10 H new ATOM 0 HE2 TYR A 78 0.094 -12.163 -8.663 1.00 70.40 H new ATOM 0 HH TYR A 78 -1.913 -11.963 -10.271 1.00 71.40 H new ATOM 1119 N LEU A 79 4.028 -11.740 -12.090 1.00 24.40 N ATOM 1120 CA LEU A 79 3.725 -10.840 -13.200 1.00 34.40 C ATOM 1121 C LEU A 79 4.992 -10.470 -13.960 1.00 33.40 C ATOM 1122 O LEU A 79 4.972 -10.340 -15.190 1.00 22.10 O ATOM 1123 CB LEU A 79 3.051 -9.573 -12.670 1.00 61.20 C ATOM 1124 CG LEU A 79 1.599 -9.751 -12.220 1.00 12.30 C ATOM 1125 CD1 LEU A 79 1.083 -8.482 -11.560 1.00 30.10 C ATOM 1126 CD2 LEU A 79 0.721 -10.130 -13.400 1.00 71.00 C ATOM 0 H LEU A 79 3.817 -11.364 -11.166 1.00 24.40 H new ATOM 0 HA LEU A 79 3.050 -11.353 -13.885 1.00 34.40 H new ATOM 0 HB2 LEU A 79 3.632 -9.195 -11.829 1.00 61.20 H new ATOM 0 HB3 LEU A 79 3.083 -8.810 -13.448 1.00 61.20 H new ATOM 0 HG LEU A 79 1.563 -10.557 -11.488 1.00 12.30 H new ATOM 0 HD11 LEU A 79 0.049 -8.629 -11.247 1.00 30.10 H new ATOM 0 HD12 LEU A 79 1.696 -8.250 -10.689 1.00 30.10 H new ATOM 0 HD13 LEU A 79 1.133 -7.656 -12.270 1.00 30.10 H new ATOM 0 HD21 LEU A 79 -0.308 -10.253 -13.063 1.00 71.00 H new ATOM 0 HD22 LEU A 79 0.765 -9.344 -14.153 1.00 71.00 H new ATOM 0 HD23 LEU A 79 1.076 -11.066 -13.832 1.00 71.00 H new ATOM 1138 N LYS A 80 6.091 -10.310 -13.240 1.00 34.10 N ATOM 1139 CA LYS A 80 7.367 -9.959 -13.850 1.00 21.30 C ATOM 1140 C LYS A 80 8.057 -11.190 -14.410 1.00 71.20 C ATOM 1141 O LYS A 80 8.775 -11.110 -15.410 1.00 43.30 O ATOM 1142 CB LYS A 80 8.276 -9.276 -12.820 1.00 35.50 C ATOM 1143 CG LYS A 80 8.167 -7.760 -12.830 1.00 51.00 C ATOM 1144 CD LYS A 80 9.441 -7.108 -12.320 1.00 4.14 C ATOM 1145 CE LYS A 80 9.490 -5.630 -12.670 1.00 2.31 C ATOM 1146 NZ LYS A 80 10.154 -5.391 -13.980 1.00 72.30 N ATOM 0 H LYS A 80 6.126 -10.418 -12.226 1.00 34.10 H new ATOM 0 HA LYS A 80 7.172 -9.269 -14.671 1.00 21.30 H new ATOM 0 HB2 LYS A 80 8.026 -9.644 -11.825 1.00 35.50 H new ATOM 0 HB3 LYS A 80 9.310 -9.560 -13.014 1.00 35.50 H new ATOM 0 HG2 LYS A 80 7.961 -7.415 -13.843 1.00 51.00 H new ATOM 0 HG3 LYS A 80 7.325 -7.450 -12.211 1.00 51.00 H new ATOM 0 HD2 LYS A 80 9.505 -7.229 -11.239 1.00 4.14 H new ATOM 0 HD3 LYS A 80 10.306 -7.613 -12.749 1.00 4.14 H new ATOM 0 HE2 LYS A 80 8.476 -5.230 -12.699 1.00 2.31 H new ATOM 0 HE3 LYS A 80 10.024 -5.089 -11.888 1.00 2.31 H new ATOM 0 HZ1 LYS A 80 10.167 -4.371 -14.182 1.00 72.30 H new ATOM 0 HZ2 LYS A 80 11.130 -5.749 -13.945 1.00 72.30 H new ATOM 0 HZ3 LYS A 80 9.630 -5.886 -14.730 1.00 72.30 H new ATOM 1160 N ASN A 81 7.834 -12.330 -13.770 1.00 40.20 N ATOM 1161 CA ASN A 81 8.435 -13.590 -14.210 1.00 13.20 C ATOM 1162 C ASN A 81 7.774 -14.090 -15.490 1.00 61.20 C ATOM 1163 O ASN A 81 8.451 -14.520 -16.420 1.00 44.40 O ATOM 1164 CB ASN A 81 8.315 -14.650 -13.110 1.00 4.01 C ATOM 1165 CG ASN A 81 9.493 -14.630 -12.160 1.00 15.40 C ATOM 1166 OD1 ASN A 81 10.649 -14.630 -12.580 1.00 62.10 O ATOM 1167 ND2 ASN A 81 9.204 -14.600 -10.860 1.00 21.00 N ATOM 0 H ASN A 81 7.242 -12.412 -12.944 1.00 40.20 H new ATOM 0 HA ASN A 81 9.490 -13.408 -14.415 1.00 13.20 H new ATOM 0 HB2 ASN A 81 7.396 -14.485 -12.548 1.00 4.01 H new ATOM 0 HB3 ASN A 81 8.236 -15.637 -13.567 1.00 4.01 H new ATOM 0 HD21 ASN A 81 9.956 -14.576 -10.171 1.00 21.00 H new ATOM 0 HD22 ASN A 81 8.231 -14.601 -10.554 1.00 21.00 H new TER 1174 ASN A 81