USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=13 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= -1.85 F(o=-3.8!,f=-1.8) USER MOD Set 1.2: A 50 TYR OH : rot 74:sc= 0.0176 USER MOD Single : A 10 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.3) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0.41) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 83:sc= 0.634 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.0634 X(o=-0.063,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.138 K(o=-0.14,f=-2.1) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.827 X(o=-0.83,f=-0.44) USER MOD Single : A 37 TYR OH : rot 97:sc= -1.48 USER MOD Single : A 38 GLN : amide:sc= -0.0127 X(o=-0.013,f=-0.2) USER MOD Single : A 39 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.0048) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -150:sc= -0.371 (180deg=-1.38!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.26) 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= -1.29 K(o=-1.3,f=-2.3!) 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 180:sc= -2 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 30:sc= -0.0849 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 134:sc= 0.451! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN :FLIP amide:sc= 1.1 F(o=-0.76,f=1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -1.927 12.946 2.094 1.00 34.30 N ATOM 2 CA ASN A 10 -1.210 11.764 1.631 1.00 75.30 C ATOM 3 C ASN A 10 -1.688 10.515 2.366 1.00 35.20 C ATOM 4 O ASN A 10 -1.703 9.420 1.804 1.00 74.30 O ATOM 5 CB ASN A 10 0.296 11.943 1.833 1.00 4.20 C ATOM 6 CG ASN A 10 0.826 13.189 1.152 1.00 72.20 C ATOM 7 OD1 ASN A 10 0.462 14.309 1.511 1.00 42.20 O ATOM 8 ND2 ASN A 10 1.691 13.000 0.163 1.00 62.00 N ATOM 0 HA ASN A 10 -1.415 11.639 0.568 1.00 75.30 H new ATOM 0 HB2 ASN A 10 0.513 11.995 2.900 1.00 4.20 H new ATOM 0 HB3 ASN A 10 0.819 11.069 1.444 1.00 4.20 H new ATOM 0 HD21 ASN A 10 2.082 13.801 -0.333 1.00 62.00 H new ATOM 0 HD22 ASN A 10 1.965 12.054 -0.101 1.00 62.00 H new ATOM 15 N LEU A 11 -2.078 10.689 3.624 1.00 24.20 N ATOM 16 CA LEU A 11 -2.557 9.576 4.436 1.00 3.31 C ATOM 17 C LEU A 11 -3.961 9.159 4.013 1.00 14.30 C ATOM 18 O LEU A 11 -4.285 7.971 3.984 1.00 32.30 O ATOM 19 CB LEU A 11 -2.550 9.958 5.917 1.00 45.20 C ATOM 20 CG LEU A 11 -3.050 8.870 6.869 1.00 2.30 C ATOM 21 CD1 LEU A 11 -1.906 7.958 7.284 1.00 22.10 C ATOM 22 CD2 LEU A 11 -3.708 9.493 8.091 1.00 13.40 C ATOM 0 H LEU A 11 -2.072 11.589 4.103 1.00 24.20 H new ATOM 0 HA LEU A 11 -1.885 8.731 4.283 1.00 3.31 H new ATOM 0 HB2 LEU A 11 -1.533 10.229 6.202 1.00 45.20 H new ATOM 0 HB3 LEU A 11 -3.166 10.847 6.050 1.00 45.20 H new ATOM 0 HG LEU A 11 -3.795 8.270 6.346 1.00 2.30 H new ATOM 0 HD11 LEU A 11 -2.280 7.190 7.961 1.00 22.10 H new ATOM 0 HD12 LEU A 11 -1.479 7.485 6.400 1.00 22.10 H new ATOM 0 HD13 LEU A 11 -1.138 8.544 7.789 1.00 22.10 H new ATOM 0 HD21 LEU A 11 -4.058 8.705 8.757 1.00 13.40 H new ATOM 0 HD22 LEU A 11 -2.984 10.117 8.615 1.00 13.40 H new ATOM 0 HD23 LEU A 11 -4.554 10.104 7.777 1.00 13.40 H new ATOM 34 N GLN A 12 -4.792 10.143 3.685 1.00 42.40 N ATOM 35 CA GLN A 12 -6.162 9.878 3.263 1.00 0.24 C ATOM 36 C GLN A 12 -6.187 9.012 2.007 1.00 52.40 C ATOM 37 O GLN A 12 -7.040 8.137 1.862 1.00 34.00 O ATOM 38 CB GLN A 12 -6.902 11.192 3.005 1.00 54.10 C ATOM 39 CG GLN A 12 -8.415 11.063 3.077 1.00 35.10 C ATOM 40 CD GLN A 12 -9.062 11.015 1.707 1.00 42.40 C ATOM 41 OE1 GLN A 12 -9.009 9.996 1.018 1.00 33.10 O ATOM 42 NE2 GLN A 12 -9.677 12.120 1.304 1.00 25.10 N ATOM 0 H GLN A 12 -4.540 11.131 3.703 1.00 42.40 H new ATOM 0 HA GLN A 12 -6.664 9.338 4.065 1.00 0.24 H new ATOM 0 HB2 GLN A 12 -6.574 11.933 3.734 1.00 54.10 H new ATOM 0 HB3 GLN A 12 -6.624 11.568 2.020 1.00 54.10 H new ATOM 0 HG2 GLN A 12 -8.673 10.159 3.628 1.00 35.10 H new ATOM 0 HG3 GLN A 12 -8.821 11.905 3.637 1.00 35.10 H new ATOM 0 HE21 GLN A 12 -9.697 12.942 1.908 1.00 25.10 H new ATOM 0 HE22 GLN A 12 -10.130 12.147 0.391 1.00 25.10 H new ATOM 51 N LYS A 13 -5.246 9.263 1.103 1.00 21.10 N ATOM 52 CA LYS A 13 -5.160 8.506 -0.141 1.00 10.10 C ATOM 53 C LYS A 13 -4.580 7.117 0.107 1.00 32.40 C ATOM 54 O LYS A 13 -4.975 6.145 -0.536 1.00 54.50 O ATOM 55 CB LYS A 13 -4.302 9.256 -1.160 1.00 63.30 C ATOM 56 CG LYS A 13 -4.789 9.108 -2.592 1.00 40.40 C ATOM 57 CD LYS A 13 -3.630 9.079 -3.575 1.00 53.30 C ATOM 58 CE LYS A 13 -3.965 9.829 -4.854 1.00 23.50 C ATOM 59 NZ LYS A 13 -4.624 8.949 -5.858 1.00 14.30 N ATOM 0 H LYS A 13 -4.532 9.984 1.208 1.00 21.10 H new ATOM 0 HA LYS A 13 -6.168 8.393 -0.539 1.00 10.10 H new ATOM 0 HB2 LYS A 13 -4.284 10.314 -0.899 1.00 63.30 H new ATOM 0 HB3 LYS A 13 -3.276 8.894 -1.095 1.00 63.30 H new ATOM 0 HG2 LYS A 13 -5.371 8.191 -2.687 1.00 40.40 H new ATOM 0 HG3 LYS A 13 -5.455 9.935 -2.838 1.00 40.40 H new ATOM 0 HD2 LYS A 13 -2.748 9.522 -3.112 1.00 53.30 H new ATOM 0 HD3 LYS A 13 -3.379 8.045 -3.813 1.00 53.30 H new ATOM 0 HE2 LYS A 13 -4.620 10.668 -4.621 1.00 23.50 H new ATOM 0 HE3 LYS A 13 -3.052 10.246 -5.280 1.00 23.50 H new ATOM 0 HZ1 LYS A 13 -4.836 9.498 -6.715 1.00 14.30 H new ATOM 0 HZ2 LYS A 13 -3.989 8.162 -6.100 1.00 14.30 H new ATOM 0 HZ3 LYS A 13 -5.508 8.571 -5.461 1.00 14.30 H new ATOM 73 N ALA A 14 -3.639 7.033 1.042 1.00 61.50 N ATOM 74 CA ALA A 14 -3.005 5.763 1.374 1.00 3.43 C ATOM 75 C ALA A 14 -4.031 4.747 1.862 1.00 11.20 C ATOM 76 O ALA A 14 -3.952 3.563 1.534 1.00 35.40 O ATOM 77 CB ALA A 14 -1.926 5.973 2.426 1.00 4.21 C ATOM 0 H ALA A 14 -3.299 7.829 1.582 1.00 61.50 H new ATOM 0 HA ALA A 14 -2.544 5.367 0.469 1.00 3.43 H new ATOM 0 HB1 ALA A 14 -1.460 5.017 2.665 1.00 4.21 H new ATOM 0 HB2 ALA A 14 -1.171 6.658 2.041 1.00 4.21 H new ATOM 0 HB3 ALA A 14 -2.373 6.394 3.326 1.00 4.21 H new ATOM 83 N ILE A 15 -4.995 5.218 2.647 1.00 15.20 N ATOM 84 CA ILE A 15 -6.038 4.350 3.180 1.00 35.50 C ATOM 85 C ILE A 15 -7.093 4.044 2.122 1.00 72.20 C ATOM 86 O ILE A 15 -7.695 2.971 2.124 1.00 50.40 O ATOM 87 CB ILE A 15 -6.725 4.983 4.405 1.00 22.10 C ATOM 88 CG1 ILE A 15 -5.679 5.486 5.401 1.00 14.30 C ATOM 89 CG2 ILE A 15 -7.657 3.980 5.068 1.00 65.40 C ATOM 90 CD1 ILE A 15 -6.236 6.445 6.431 1.00 3.02 C ATOM 0 H ILE A 15 -5.075 6.195 2.928 1.00 15.20 H new ATOM 0 HA ILE A 15 -5.552 3.423 3.484 1.00 35.50 H new ATOM 0 HB ILE A 15 -7.319 5.834 4.070 1.00 22.10 H new ATOM 0 HG12 ILE A 15 -5.237 4.632 5.914 1.00 14.30 H new ATOM 0 HG13 ILE A 15 -4.876 5.980 4.854 1.00 14.30 H new ATOM 0 HG21 ILE A 15 -8.134 4.443 5.932 1.00 65.40 H new ATOM 0 HG22 ILE A 15 -8.420 3.667 4.356 1.00 65.40 H new ATOM 0 HG23 ILE A 15 -7.085 3.111 5.392 1.00 65.40 H new ATOM 0 HD11 ILE A 15 -5.438 6.760 7.104 1.00 3.02 H new ATOM 0 HD12 ILE A 15 -6.652 7.318 5.928 1.00 3.02 H new ATOM 0 HD13 ILE A 15 -7.019 5.949 7.004 1.00 3.02 H new ATOM 102 N ASP A 16 -7.311 4.995 1.220 1.00 41.10 N ATOM 103 CA ASP A 16 -8.293 4.827 0.155 1.00 52.30 C ATOM 104 C ASP A 16 -7.817 3.801 -0.868 1.00 13.30 C ATOM 105 O ASP A 16 -8.570 2.913 -1.267 1.00 64.10 O ATOM 106 CB ASP A 16 -8.561 6.166 -0.535 1.00 23.20 C ATOM 107 CG ASP A 16 -9.972 6.262 -1.081 1.00 43.30 C ATOM 108 OD1 ASP A 16 -10.910 6.435 -0.275 1.00 50.10 O ATOM 109 OD2 ASP A 16 -10.140 6.164 -2.315 1.00 44.10 O ATOM 0 H ASP A 16 -6.821 5.890 1.205 1.00 41.10 H new ATOM 0 HA ASP A 16 -9.219 4.464 0.602 1.00 52.30 H new ATOM 0 HB2 ASP A 16 -8.392 6.977 0.174 1.00 23.20 H new ATOM 0 HB3 ASP A 16 -7.849 6.301 -1.349 1.00 23.20 H new ATOM 114 N LEU A 17 -6.563 3.929 -1.287 1.00 52.30 N ATOM 115 CA LEU A 17 -5.986 3.012 -2.264 1.00 73.30 C ATOM 116 C LEU A 17 -5.895 1.599 -1.696 1.00 65.30 C ATOM 117 O LEU A 17 -6.164 0.621 -2.393 1.00 70.10 O ATOM 118 CB LEU A 17 -4.597 3.494 -2.689 1.00 65.20 C ATOM 119 CG LEU A 17 -4.577 4.820 -3.450 1.00 11.20 C ATOM 120 CD1 LEU A 17 -3.274 5.562 -3.195 1.00 42.10 C ATOM 121 CD2 LEU A 17 -4.774 4.581 -4.939 1.00 2.22 C ATOM 0 H LEU A 17 -5.926 4.658 -0.966 1.00 52.30 H new ATOM 0 HA LEU A 17 -6.639 2.992 -3.137 1.00 73.30 H new ATOM 0 HB2 LEU A 17 -3.976 3.594 -1.799 1.00 65.20 H new ATOM 0 HB3 LEU A 17 -4.138 2.727 -3.313 1.00 65.20 H new ATOM 0 HG LEU A 17 -5.399 5.438 -3.089 1.00 11.20 H new ATOM 0 HD11 LEU A 17 -3.278 6.503 -3.745 1.00 42.10 H new ATOM 0 HD12 LEU A 17 -3.173 5.765 -2.129 1.00 42.10 H new ATOM 0 HD13 LEU A 17 -2.436 4.950 -3.529 1.00 42.10 H new ATOM 0 HD21 LEU A 17 -4.757 5.535 -5.466 1.00 2.22 H new ATOM 0 HD22 LEU A 17 -3.973 3.945 -5.315 1.00 2.22 H new ATOM 0 HD23 LEU A 17 -5.734 4.092 -5.105 1.00 2.22 H new ATOM 133 N ALA A 18 -5.515 1.500 -0.426 1.00 62.20 N ATOM 134 CA ALA A 18 -5.389 0.208 0.235 1.00 53.30 C ATOM 135 C ALA A 18 -6.736 -0.500 0.317 1.00 55.20 C ATOM 136 O ALA A 18 -6.832 -1.704 0.078 1.00 42.00 O ATOM 137 CB ALA A 18 -4.796 0.382 1.625 1.00 41.30 C ATOM 0 H ALA A 18 -5.289 2.300 0.165 1.00 62.20 H new ATOM 0 HA ALA A 18 -4.718 -0.412 -0.359 1.00 53.30 H new ATOM 0 HB1 ALA A 18 -4.708 -0.591 2.107 1.00 41.30 H new ATOM 0 HB2 ALA A 18 -3.809 0.838 1.545 1.00 41.30 H new ATOM 0 HB3 ALA A 18 -5.446 1.024 2.220 1.00 41.30 H new ATOM 143 N SER A 19 -7.776 0.255 0.658 1.00 32.10 N ATOM 144 CA SER A 19 -9.119 -0.301 0.772 1.00 43.10 C ATOM 145 C SER A 19 -9.579 -0.889 -0.558 1.00 62.10 C ATOM 146 O SER A 19 -10.080 -2.012 -0.611 1.00 35.50 O ATOM 147 CB SER A 19 -10.100 0.777 1.233 1.00 71.30 C ATOM 148 OG SER A 19 -9.885 1.118 2.592 1.00 72.30 O ATOM 0 H SER A 19 -7.714 1.253 0.860 1.00 32.10 H new ATOM 0 HA SER A 19 -9.094 -1.101 1.512 1.00 43.10 H new ATOM 0 HB2 SER A 19 -9.988 1.665 0.610 1.00 71.30 H new ATOM 0 HB3 SER A 19 -11.122 0.422 1.102 1.00 71.30 H new ATOM 0 HG SER A 19 -9.160 1.775 2.654 1.00 72.30 H new ATOM 154 N LYS A 20 -9.405 -0.123 -1.630 1.00 31.20 N ATOM 155 CA LYS A 20 -9.802 -0.569 -2.960 1.00 31.10 C ATOM 156 C LYS A 20 -8.925 -1.724 -3.432 1.00 0.10 C ATOM 157 O LYS A 20 -9.378 -2.598 -4.171 1.00 35.10 O ATOM 158 CB LYS A 20 -9.718 0.590 -3.955 1.00 72.00 C ATOM 159 CG LYS A 20 -10.770 0.529 -5.051 1.00 32.10 C ATOM 160 CD LYS A 20 -10.680 1.737 -5.970 1.00 2.13 C ATOM 161 CE LYS A 20 -9.524 1.618 -6.942 1.00 71.50 C ATOM 162 NZ LYS A 20 -8.867 2.932 -7.186 1.00 54.00 N ATOM 0 H LYS A 20 -8.992 0.809 -1.603 1.00 31.20 H new ATOM 0 HA LYS A 20 -10.833 -0.919 -2.906 1.00 31.10 H new ATOM 0 HB2 LYS A 20 -9.823 1.530 -3.414 1.00 72.00 H new ATOM 0 HB3 LYS A 20 -8.729 0.594 -4.412 1.00 72.00 H new ATOM 0 HG2 LYS A 20 -10.640 -0.384 -5.633 1.00 32.10 H new ATOM 0 HG3 LYS A 20 -11.763 0.483 -4.603 1.00 32.10 H new ATOM 0 HD2 LYS A 20 -11.612 1.842 -6.525 1.00 2.13 H new ATOM 0 HD3 LYS A 20 -10.561 2.641 -5.372 1.00 2.13 H new ATOM 0 HE2 LYS A 20 -8.791 0.913 -6.550 1.00 71.50 H new ATOM 0 HE3 LYS A 20 -9.884 1.211 -7.887 1.00 71.50 H new ATOM 0 HZ1 LYS A 20 -8.081 2.808 -7.856 1.00 54.00 H new ATOM 0 HZ2 LYS A 20 -9.560 3.598 -7.584 1.00 54.00 H new ATOM 0 HZ3 LYS A 20 -8.500 3.309 -6.289 1.00 54.00 H new ATOM 176 N ALA A 21 -7.669 -1.721 -2.999 1.00 65.20 N ATOM 177 CA ALA A 21 -6.728 -2.769 -3.377 1.00 54.30 C ATOM 178 C ALA A 21 -7.109 -4.103 -2.743 1.00 50.30 C ATOM 179 O ALA A 21 -7.157 -5.131 -3.418 1.00 31.20 O ATOM 180 CB ALA A 21 -5.314 -2.377 -2.977 1.00 25.20 C ATOM 0 H ALA A 21 -7.279 -1.005 -2.386 1.00 65.20 H new ATOM 0 HA ALA A 21 -6.768 -2.887 -4.460 1.00 54.30 H new ATOM 0 HB1 ALA A 21 -4.622 -3.168 -3.265 1.00 25.20 H new ATOM 0 HB2 ALA A 21 -5.037 -1.451 -3.481 1.00 25.20 H new ATOM 0 HB3 ALA A 21 -5.269 -2.230 -1.898 1.00 25.20 H new ATOM 186 N ALA A 22 -7.379 -4.078 -1.442 1.00 74.30 N ATOM 187 CA ALA A 22 -7.756 -5.285 -0.717 1.00 30.50 C ATOM 188 C ALA A 22 -9.027 -5.899 -1.295 1.00 23.30 C ATOM 189 O ALA A 22 -9.197 -7.118 -1.291 1.00 71.10 O ATOM 190 CB ALA A 22 -7.942 -4.976 0.761 1.00 33.50 C ATOM 0 H ALA A 22 -7.344 -3.235 -0.869 1.00 74.30 H new ATOM 0 HA ALA A 22 -6.951 -6.011 -0.827 1.00 30.50 H new ATOM 0 HB1 ALA A 22 -8.223 -5.886 1.290 1.00 33.50 H new ATOM 0 HB2 ALA A 22 -7.009 -4.591 1.172 1.00 33.50 H new ATOM 0 HB3 ALA A 22 -8.727 -4.229 0.881 1.00 33.50 H new ATOM 196 N GLN A 23 -9.917 -5.045 -1.791 1.00 60.10 N ATOM 197 CA GLN A 23 -11.170 -5.504 -2.373 1.00 24.50 C ATOM 198 C GLN A 23 -10.960 -5.994 -3.802 1.00 61.30 C ATOM 199 O GLN A 23 -11.600 -6.945 -4.243 1.00 14.10 O ATOM 200 CB GLN A 23 -12.200 -4.378 -2.354 1.00 21.10 C ATOM 201 CG GLN A 23 -12.960 -4.267 -1.039 1.00 52.50 C ATOM 202 CD GLN A 23 -14.160 -3.341 -1.131 1.00 3.53 C ATOM 203 OE1 GLN A 23 -15.260 -3.691 -0.711 1.00 62.20 O ATOM 204 NE2 GLN A 23 -13.940 -2.152 -1.682 1.00 13.50 N ATOM 0 H GLN A 23 -9.792 -4.033 -1.801 1.00 60.10 H new ATOM 0 HA GLN A 23 -11.538 -6.338 -1.775 1.00 24.50 H new ATOM 0 HB2 GLN A 23 -11.696 -3.432 -2.553 1.00 21.10 H new ATOM 0 HB3 GLN A 23 -12.913 -4.536 -3.163 1.00 21.10 H new ATOM 0 HG2 GLN A 23 -13.294 -5.258 -0.733 1.00 52.50 H new ATOM 0 HG3 GLN A 23 -12.285 -3.904 -0.264 1.00 52.50 H new ATOM 0 HE21 GLN A 23 -13.007 -1.909 -2.016 1.00 13.50 H new ATOM 0 HE22 GLN A 23 -14.704 -1.482 -1.771 1.00 13.50 H new ATOM 213 N GLU A 24 -10.050 -5.339 -4.520 1.00 61.30 N ATOM 214 CA GLU A 24 -9.763 -5.709 -5.900 1.00 73.10 C ATOM 215 C GLU A 24 -9.168 -7.111 -5.972 1.00 72.10 C ATOM 216 O GLU A 24 -9.603 -7.940 -6.771 1.00 23.10 O ATOM 217 CB GLU A 24 -8.798 -4.700 -6.525 1.00 3.33 C ATOM 218 CG GLU A 24 -9.457 -3.385 -6.909 1.00 14.40 C ATOM 219 CD GLU A 24 -10.070 -3.426 -8.294 1.00 52.20 C ATOM 220 OE1 GLU A 24 -10.740 -4.426 -8.614 1.00 44.10 O ATOM 221 OE2 GLU A 24 -9.880 -2.457 -9.058 1.00 20.40 O ATOM 0 H GLU A 24 -9.502 -4.553 -4.169 1.00 61.30 H new ATOM 0 HA GLU A 24 -10.699 -5.702 -6.458 1.00 73.10 H new ATOM 0 HB2 GLU A 24 -7.989 -4.500 -5.822 1.00 3.33 H new ATOM 0 HB3 GLU A 24 -8.347 -5.143 -7.413 1.00 3.33 H new ATOM 0 HG2 GLU A 24 -10.230 -3.143 -6.180 1.00 14.40 H new ATOM 0 HG3 GLU A 24 -8.717 -2.585 -6.866 1.00 14.40 H new ATOM 228 N ASP A 25 -8.171 -7.370 -5.132 1.00 25.10 N ATOM 229 CA ASP A 25 -7.516 -8.672 -5.100 1.00 71.10 C ATOM 230 C ASP A 25 -8.484 -9.757 -4.637 1.00 35.10 C ATOM 231 O ASP A 25 -8.544 -10.830 -5.219 1.00 10.50 O ATOM 232 CB ASP A 25 -6.297 -8.632 -4.177 1.00 41.30 C ATOM 233 CG ASP A 25 -5.503 -9.923 -4.210 1.00 71.20 C ATOM 234 OD1 ASP A 25 -4.746 -10.120 -5.182 1.00 4.52 O ATOM 235 OD2 ASP A 25 -5.639 -10.720 -3.265 1.00 4.23 O ATOM 0 H ASP A 25 -7.799 -6.695 -4.464 1.00 25.10 H new ATOM 0 HA ASP A 25 -7.188 -8.910 -6.112 1.00 71.10 H new ATOM 0 HB2 ASP A 25 -5.651 -7.804 -4.469 1.00 41.30 H new ATOM 0 HB3 ASP A 25 -6.624 -8.436 -3.156 1.00 41.30 H new ATOM 240 N LYS A 26 -9.239 -9.458 -3.585 1.00 34.30 N ATOM 241 CA LYS A 26 -10.200 -10.400 -3.043 1.00 31.50 C ATOM 242 C LYS A 26 -11.280 -10.730 -4.070 1.00 65.40 C ATOM 243 O LYS A 26 -11.810 -11.840 -4.095 1.00 4.31 O ATOM 244 CB LYS A 26 -10.840 -9.846 -1.772 1.00 13.30 C ATOM 245 CG LYS A 26 -10.070 -10.170 -0.505 1.00 11.30 C ATOM 246 CD LYS A 26 -10.990 -10.240 0.704 1.00 51.50 C ATOM 247 CE LYS A 26 -11.240 -8.868 1.293 1.00 11.10 C ATOM 248 NZ LYS A 26 -12.530 -8.290 0.824 1.00 13.20 N ATOM 0 H LYS A 26 -9.200 -8.566 -3.092 1.00 34.30 H new ATOM 0 HA LYS A 26 -9.665 -11.317 -2.796 1.00 31.50 H new ATOM 0 HB2 LYS A 26 -10.930 -8.764 -1.864 1.00 13.30 H new ATOM 0 HB3 LYS A 26 -11.851 -10.243 -1.683 1.00 13.30 H new ATOM 0 HG2 LYS A 26 -9.553 -11.122 -0.626 1.00 11.30 H new ATOM 0 HG3 LYS A 26 -9.306 -9.411 -0.338 1.00 11.30 H new ATOM 0 HD2 LYS A 26 -11.939 -10.691 0.414 1.00 51.50 H new ATOM 0 HD3 LYS A 26 -10.548 -10.887 1.462 1.00 51.50 H new ATOM 0 HE2 LYS A 26 -11.246 -8.935 2.381 1.00 11.10 H new ATOM 0 HE3 LYS A 26 -10.422 -8.201 1.020 1.00 11.10 H new ATOM 0 HZ1 LYS A 26 -12.665 -7.351 1.249 1.00 13.20 H new ATOM 0 HZ2 LYS A 26 -12.515 -8.202 -0.212 1.00 13.20 H new ATOM 0 HZ3 LYS A 26 -13.313 -8.913 1.107 1.00 13.20 H new ATOM 262 N ALA A 27 -11.600 -9.756 -4.916 1.00 11.20 N ATOM 263 CA ALA A 27 -12.610 -9.937 -5.945 1.00 5.13 C ATOM 264 C ALA A 27 -12.090 -10.800 -7.085 1.00 54.10 C ATOM 265 O ALA A 27 -12.780 -11.700 -7.563 1.00 62.20 O ATOM 266 CB ALA A 27 -13.070 -8.587 -6.474 1.00 70.30 C ATOM 0 H ALA A 27 -11.171 -8.831 -4.906 1.00 11.20 H new ATOM 0 HA ALA A 27 -13.459 -10.451 -5.495 1.00 5.13 H new ATOM 0 HB1 ALA A 27 -13.827 -8.737 -7.244 1.00 70.30 H new ATOM 0 HB2 ALA A 27 -13.494 -8.002 -5.658 1.00 70.30 H new ATOM 0 HB3 ALA A 27 -12.220 -8.054 -6.899 1.00 70.30 H new ATOM 272 N GLY A 28 -10.860 -10.530 -7.516 1.00 52.20 N ATOM 273 CA GLY A 28 -10.270 -11.290 -8.597 1.00 33.10 C ATOM 274 C GLY A 28 -9.189 -10.520 -9.323 1.00 2.40 C ATOM 275 O GLY A 28 -8.236 -11.110 -9.834 1.00 22.30 O ATOM 0 H GLY A 28 -10.263 -9.797 -7.133 1.00 52.20 H new ATOM 0 HA2 GLY A 28 -9.849 -12.214 -8.200 1.00 33.10 H new ATOM 0 HA3 GLY A 28 -11.049 -11.573 -9.305 1.00 33.10 H new ATOM 279 N ASN A 29 -9.332 -9.205 -9.369 1.00 55.40 N ATOM 280 CA ASN A 29 -8.355 -8.353 -10.030 1.00 1.41 C ATOM 281 C ASN A 29 -7.057 -8.283 -9.241 1.00 31.10 C ATOM 282 O ASN A 29 -7.044 -7.831 -8.096 1.00 40.40 O ATOM 283 CB ASN A 29 -8.923 -6.947 -10.230 1.00 31.40 C ATOM 284 CG ASN A 29 -10.210 -6.951 -11.020 1.00 64.20 C ATOM 285 OD1 ASN A 29 -10.680 -7.998 -11.470 1.00 54.20 O ATOM 286 ND2 ASN A 29 -10.810 -5.775 -11.190 1.00 61.30 N ATOM 0 H ASN A 29 -10.118 -8.703 -8.955 1.00 55.40 H new ATOM 0 HA ASN A 29 -8.136 -8.792 -11.004 1.00 1.41 H new ATOM 0 HB2 ASN A 29 -9.099 -6.488 -9.257 1.00 31.40 H new ATOM 0 HB3 ASN A 29 -8.186 -6.331 -10.745 1.00 31.40 H new ATOM 0 HD21 ASN A 29 -11.688 -5.720 -11.707 1.00 61.30 H new ATOM 0 HD22 ASN A 29 -10.392 -4.929 -10.803 1.00 61.30 H new ATOM 293 N TYR A 30 -5.967 -8.733 -9.854 1.00 71.40 N ATOM 294 CA TYR A 30 -4.663 -8.722 -9.201 1.00 34.20 C ATOM 295 C TYR A 30 -3.771 -7.631 -9.785 1.00 22.30 C ATOM 296 O TYR A 30 -2.989 -7.006 -9.070 1.00 73.40 O ATOM 297 CB TYR A 30 -3.984 -10.080 -9.347 1.00 43.10 C ATOM 298 CG TYR A 30 -4.439 -11.100 -8.324 1.00 63.40 C ATOM 299 CD1 TYR A 30 -5.784 -11.230 -8.003 1.00 12.10 C ATOM 300 CD2 TYR A 30 -3.524 -11.920 -7.680 1.00 25.50 C ATOM 301 CE1 TYR A 30 -6.203 -12.160 -7.068 1.00 13.00 C ATOM 302 CE2 TYR A 30 -3.936 -12.850 -6.745 1.00 11.40 C ATOM 303 CZ TYR A 30 -5.276 -12.970 -6.443 1.00 72.20 C ATOM 304 OH TYR A 30 -5.690 -13.890 -5.513 1.00 12.20 O ATOM 0 H TYR A 30 -5.961 -9.110 -10.802 1.00 71.40 H new ATOM 0 HA TYR A 30 -4.818 -8.513 -8.142 1.00 34.20 H new ATOM 0 HB2 TYR A 30 -4.179 -10.469 -10.346 1.00 43.10 H new ATOM 0 HB3 TYR A 30 -2.905 -9.948 -9.261 1.00 43.10 H new ATOM 0 HD1 TYR A 30 -6.512 -10.597 -8.489 1.00 12.10 H new ATOM 0 HD2 TYR A 30 -2.473 -11.830 -7.913 1.00 25.50 H new ATOM 0 HE1 TYR A 30 -7.252 -12.252 -6.828 1.00 13.00 H new ATOM 0 HE2 TYR A 30 -3.211 -13.481 -6.252 1.00 11.40 H new ATOM 0 HH TYR A 30 -4.914 -14.380 -5.169 1.00 12.20 H new ATOM 314 N GLU A 31 -3.895 -7.409 -11.090 1.00 52.00 N ATOM 315 CA GLU A 31 -3.101 -6.393 -11.770 1.00 71.20 C ATOM 316 C GLU A 31 -3.368 -5.010 -11.180 1.00 14.40 C ATOM 317 O GLU A 31 -2.441 -4.302 -10.790 1.00 71.50 O ATOM 318 CB GLU A 31 -3.409 -6.394 -13.260 1.00 51.10 C ATOM 319 CG GLU A 31 -2.529 -7.338 -14.070 1.00 12.30 C ATOM 320 CD GLU A 31 -2.638 -7.109 -15.560 1.00 2.30 C ATOM 321 OE1 GLU A 31 -2.660 -5.933 -15.980 1.00 4.22 O ATOM 322 OE2 GLU A 31 -2.702 -8.106 -16.310 1.00 71.00 O ATOM 0 H GLU A 31 -4.537 -7.919 -11.697 1.00 52.00 H new ATOM 0 HA GLU A 31 -2.047 -6.631 -11.625 1.00 71.20 H new ATOM 0 HB2 GLU A 31 -4.453 -6.671 -13.405 1.00 51.10 H new ATOM 0 HB3 GLU A 31 -3.291 -5.382 -13.646 1.00 51.10 H new ATOM 0 HG2 GLU A 31 -1.491 -7.212 -13.763 1.00 12.30 H new ATOM 0 HG3 GLU A 31 -2.805 -8.368 -13.844 1.00 12.30 H new ATOM 329 N GLU A 32 -4.641 -4.632 -11.130 1.00 24.20 N ATOM 330 CA GLU A 32 -5.030 -3.333 -10.590 1.00 44.10 C ATOM 331 C GLU A 32 -4.802 -3.277 -9.088 1.00 42.00 C ATOM 332 O GLU A 32 -4.480 -2.225 -8.537 1.00 41.40 O ATOM 333 CB GLU A 32 -6.499 -3.047 -10.910 1.00 31.10 C ATOM 334 CG GLU A 32 -6.875 -1.580 -10.770 1.00 4.15 C ATOM 335 CD GLU A 32 -7.807 -1.115 -11.870 1.00 13.00 C ATOM 336 OE1 GLU A 32 -7.605 -1.525 -13.040 1.00 65.20 O ATOM 337 OE2 GLU A 32 -8.740 -0.341 -11.580 1.00 71.40 O ATOM 0 H GLU A 32 -5.420 -5.205 -11.456 1.00 24.20 H new ATOM 0 HA GLU A 32 -4.408 -2.570 -11.058 1.00 44.10 H new ATOM 0 HB2 GLU A 32 -6.711 -3.373 -11.928 1.00 31.10 H new ATOM 0 HB3 GLU A 32 -7.129 -3.640 -10.248 1.00 31.10 H new ATOM 0 HG2 GLU A 32 -7.351 -1.421 -9.803 1.00 4.15 H new ATOM 0 HG3 GLU A 32 -5.970 -0.973 -10.784 1.00 4.15 H new ATOM 344 N ALA A 33 -4.970 -4.418 -8.427 1.00 23.10 N ATOM 345 CA ALA A 33 -4.782 -4.499 -6.983 1.00 64.50 C ATOM 346 C ALA A 33 -3.313 -4.337 -6.611 1.00 3.24 C ATOM 347 O ALA A 33 -2.981 -3.683 -5.622 1.00 34.30 O ATOM 348 CB ALA A 33 -5.320 -5.820 -6.455 1.00 72.10 C ATOM 0 H ALA A 33 -5.236 -5.299 -8.868 1.00 23.10 H new ATOM 0 HA ALA A 33 -5.338 -3.683 -6.522 1.00 64.50 H new ATOM 0 HB1 ALA A 33 -5.173 -5.867 -5.376 1.00 72.10 H new ATOM 0 HB2 ALA A 33 -6.384 -5.896 -6.680 1.00 72.10 H new ATOM 0 HB3 ALA A 33 -4.789 -6.645 -6.930 1.00 72.10 H new ATOM 354 N LEU A 34 -2.436 -4.936 -7.410 1.00 54.40 N ATOM 355 CA LEU A 34 -1.000 -4.857 -7.165 1.00 5.41 C ATOM 356 C LEU A 34 -0.521 -3.410 -7.199 1.00 53.20 C ATOM 357 O LEU A 34 0.139 -2.942 -6.271 1.00 60.30 O ATOM 358 CB LEU A 34 -0.238 -5.684 -8.203 1.00 61.40 C ATOM 359 CG LEU A 34 1.283 -5.675 -8.047 1.00 10.30 C ATOM 360 CD1 LEU A 34 1.683 -6.207 -6.680 1.00 62.20 C ATOM 361 CD2 LEU A 34 1.935 -6.494 -9.151 1.00 60.40 C ATOM 0 H LEU A 34 -2.694 -5.481 -8.232 1.00 54.40 H new ATOM 0 HA LEU A 34 -0.803 -5.262 -6.172 1.00 5.41 H new ATOM 0 HB2 LEU A 34 -0.587 -6.715 -8.151 1.00 61.40 H new ATOM 0 HB3 LEU A 34 -0.488 -5.312 -9.197 1.00 61.40 H new ATOM 0 HG LEU A 34 1.632 -4.646 -8.129 1.00 10.30 H new ATOM 0 HD11 LEU A 34 2.769 -6.193 -6.588 1.00 62.20 H new ATOM 0 HD12 LEU A 34 1.245 -5.580 -5.903 1.00 62.20 H new ATOM 0 HD13 LEU A 34 1.323 -7.230 -6.568 1.00 62.20 H new ATOM 0 HD21 LEU A 34 3.018 -6.477 -9.025 1.00 60.40 H new ATOM 0 HD22 LEU A 34 1.579 -7.523 -9.099 1.00 60.40 H new ATOM 0 HD23 LEU A 34 1.676 -6.069 -10.121 1.00 60.40 H new ATOM 373 N GLN A 35 -0.856 -2.706 -8.275 1.00 14.10 N ATOM 374 CA GLN A 35 -0.460 -1.311 -8.430 1.00 33.30 C ATOM 375 C GLN A 35 -1.034 -0.455 -7.306 1.00 62.20 C ATOM 376 O GLN A 35 -0.427 0.533 -6.893 1.00 33.20 O ATOM 377 CB GLN A 35 -0.926 -0.774 -9.785 1.00 22.50 C ATOM 378 CG GLN A 35 -2.423 -0.907 -10.010 1.00 31.50 C ATOM 379 CD GLN A 35 -2.853 -0.408 -11.370 1.00 13.10 C ATOM 380 OE1 GLN A 35 -3.258 0.744 -11.520 1.00 5.10 O ATOM 381 NE2 GLN A 35 -2.769 -1.277 -12.370 1.00 21.10 N ATOM 0 H GLN A 35 -1.401 -3.079 -9.053 1.00 14.10 H new ATOM 0 HA GLN A 35 0.628 -1.260 -8.382 1.00 33.30 H new ATOM 0 HB2 GLN A 35 -0.647 0.277 -9.866 1.00 22.50 H new ATOM 0 HB3 GLN A 35 -0.399 -1.305 -10.578 1.00 22.50 H new ATOM 0 HG2 GLN A 35 -2.711 -1.953 -9.903 1.00 31.50 H new ATOM 0 HG3 GLN A 35 -2.954 -0.350 -9.238 1.00 31.50 H new ATOM 0 HE21 GLN A 35 -2.427 -2.222 -12.197 1.00 21.10 H new ATOM 0 HE22 GLN A 35 -3.047 -1.000 -13.311 1.00 21.10 H new ATOM 390 N LEU A 36 -2.208 -0.840 -6.816 1.00 73.10 N ATOM 391 CA LEU A 36 -2.864 -0.107 -5.739 1.00 2.12 C ATOM 392 C LEU A 36 -2.163 -0.354 -4.408 1.00 21.30 C ATOM 393 O LEU A 36 -1.984 0.566 -3.609 1.00 13.40 O ATOM 394 CB LEU A 36 -4.335 -0.516 -5.639 1.00 60.30 C ATOM 395 CG LEU A 36 -5.217 -0.052 -6.799 1.00 32.30 C ATOM 396 CD1 LEU A 36 -6.455 -0.927 -6.911 1.00 22.10 C ATOM 397 CD2 LEU A 36 -5.608 1.408 -6.619 1.00 30.20 C ATOM 0 H LEU A 36 -2.724 -1.655 -7.147 1.00 73.10 H new ATOM 0 HA LEU A 36 -2.805 0.957 -5.967 1.00 2.12 H new ATOM 0 HB2 LEU A 36 -4.390 -1.603 -5.573 1.00 60.30 H new ATOM 0 HB3 LEU A 36 -4.744 -0.119 -4.710 1.00 60.30 H new ATOM 0 HG LEU A 36 -4.647 -0.144 -7.724 1.00 32.30 H new ATOM 0 HD11 LEU A 36 -7.071 -0.582 -7.742 1.00 22.10 H new ATOM 0 HD12 LEU A 36 -6.156 -1.960 -7.086 1.00 22.10 H new ATOM 0 HD13 LEU A 36 -7.028 -0.867 -5.986 1.00 22.10 H new ATOM 0 HD21 LEU A 36 -6.235 1.722 -7.453 1.00 30.20 H new ATOM 0 HD22 LEU A 36 -6.159 1.525 -5.686 1.00 30.20 H new ATOM 0 HD23 LEU A 36 -4.709 2.024 -6.589 1.00 30.20 H new ATOM 409 N TYR A 37 -1.769 -1.602 -4.174 1.00 31.20 N ATOM 410 CA TYR A 37 -1.087 -1.969 -2.939 1.00 61.40 C ATOM 411 C TYR A 37 0.217 -1.193 -2.785 1.00 70.00 C ATOM 412 O TYR A 37 0.579 -0.781 -1.683 1.00 31.40 O ATOM 413 CB TYR A 37 -0.805 -3.473 -2.916 1.00 43.30 C ATOM 414 CG TYR A 37 -2.048 -4.321 -2.770 1.00 72.20 C ATOM 415 CD1 TYR A 37 -2.999 -4.031 -1.800 1.00 72.10 C ATOM 416 CD2 TYR A 37 -2.270 -5.411 -3.602 1.00 62.30 C ATOM 417 CE1 TYR A 37 -4.137 -4.804 -1.663 1.00 55.20 C ATOM 418 CE2 TYR A 37 -3.405 -6.188 -3.472 1.00 22.50 C ATOM 419 CZ TYR A 37 -4.335 -5.881 -2.501 1.00 11.50 C ATOM 420 OH TYR A 37 -5.467 -6.653 -2.368 1.00 32.30 O ATOM 0 H TYR A 37 -1.911 -2.376 -4.824 1.00 31.20 H new ATOM 0 HA TYR A 37 -1.740 -1.715 -2.104 1.00 61.40 H new ATOM 0 HB2 TYR A 37 -0.291 -3.752 -3.836 1.00 43.30 H new ATOM 0 HB3 TYR A 37 -0.126 -3.694 -2.092 1.00 43.30 H new ATOM 0 HD1 TYR A 37 -2.847 -3.188 -1.142 1.00 72.10 H new ATOM 0 HD2 TYR A 37 -1.543 -5.655 -4.363 1.00 62.30 H new ATOM 0 HE1 TYR A 37 -4.867 -4.566 -0.904 1.00 55.20 H new ATOM 0 HE2 TYR A 37 -3.563 -7.032 -4.128 1.00 22.50 H new ATOM 0 HH TYR A 37 -6.143 -6.356 -3.013 1.00 32.30 H new ATOM 430 N GLN A 38 0.917 -0.997 -3.897 1.00 33.50 N ATOM 431 CA GLN A 38 2.181 -0.269 -3.886 1.00 10.10 C ATOM 432 C GLN A 38 1.955 1.210 -3.591 1.00 72.40 C ATOM 433 O GLN A 38 2.707 1.824 -2.834 1.00 43.30 O ATOM 434 CB GLN A 38 2.898 -0.430 -5.227 1.00 44.40 C ATOM 435 CG GLN A 38 3.351 -1.853 -5.509 1.00 21.30 C ATOM 436 CD GLN A 38 4.358 -1.932 -6.639 1.00 42.10 C ATOM 437 OE1 GLN A 38 5.365 -1.224 -6.640 1.00 30.40 O ATOM 438 NE2 GLN A 38 4.090 -2.796 -7.612 1.00 21.00 N ATOM 0 H GLN A 38 0.631 -1.332 -4.817 1.00 33.50 H new ATOM 0 HA GLN A 38 2.805 -0.687 -3.096 1.00 10.10 H new ATOM 0 HB2 GLN A 38 2.232 -0.105 -6.026 1.00 44.40 H new ATOM 0 HB3 GLN A 38 3.766 0.229 -5.247 1.00 44.40 H new ATOM 0 HG2 GLN A 38 3.790 -2.276 -4.606 1.00 21.30 H new ATOM 0 HG3 GLN A 38 2.483 -2.464 -5.757 1.00 21.30 H new ATOM 0 HE21 GLN A 38 3.243 -3.364 -7.571 1.00 21.00 H new ATOM 0 HE22 GLN A 38 4.731 -2.892 -8.400 1.00 21.00 H new ATOM 447 N HIS A 39 0.914 1.776 -4.193 1.00 31.20 N ATOM 448 CA HIS A 39 0.588 3.183 -3.994 1.00 30.50 C ATOM 449 C HIS A 39 0.287 3.470 -2.527 1.00 11.20 C ATOM 450 O HIS A 39 0.751 4.466 -1.971 1.00 64.30 O ATOM 451 CB HIS A 39 -0.610 3.578 -4.860 1.00 1.34 C ATOM 452 CG HIS A 39 -0.227 4.084 -6.216 1.00 21.30 C ATOM 453 ND1 HIS A 39 -1.090 4.792 -7.026 1.00 20.30 N ATOM 454 CD2 HIS A 39 0.935 3.983 -6.904 1.00 71.50 C ATOM 455 CE1 HIS A 39 -0.476 5.102 -8.155 1.00 11.40 C ATOM 456 NE2 HIS A 39 0.753 4.624 -8.105 1.00 51.20 N ATOM 0 H HIS A 39 0.282 1.282 -4.823 1.00 31.20 H new ATOM 0 HA HIS A 39 1.453 3.776 -4.291 1.00 30.50 H new ATOM 0 HB2 HIS A 39 -1.265 2.715 -4.975 1.00 1.34 H new ATOM 0 HB3 HIS A 39 -1.184 4.347 -4.343 1.00 1.34 H new ATOM 0 HD2 HIS A 39 1.836 3.490 -6.571 1.00 71.50 H new ATOM 0 HE1 HIS A 39 -0.907 5.653 -8.978 1.00 11.40 H new ATOM 0 HE2 HIS A 39 1.455 4.716 -8.840 1.00 51.20 H new ATOM 465 N ALA A 40 -0.493 2.592 -1.905 1.00 12.30 N ATOM 466 CA ALA A 40 -0.856 2.751 -0.503 1.00 70.40 C ATOM 467 C ALA A 40 0.382 2.767 0.387 1.00 62.00 C ATOM 468 O ALA A 40 0.521 3.625 1.259 1.00 3.30 O ATOM 469 CB ALA A 40 -1.801 1.639 -0.074 1.00 21.40 C ATOM 0 H ALA A 40 -0.886 1.763 -2.351 1.00 12.30 H new ATOM 0 HA ALA A 40 -1.364 3.709 -0.391 1.00 70.40 H new ATOM 0 HB1 ALA A 40 -2.064 1.770 0.976 1.00 21.40 H new ATOM 0 HB2 ALA A 40 -2.705 1.675 -0.682 1.00 21.40 H new ATOM 0 HB3 ALA A 40 -1.312 0.674 -0.208 1.00 21.40 H new ATOM 475 N VAL A 41 1.280 1.814 0.160 1.00 4.00 N ATOM 476 CA VAL A 41 2.508 1.720 0.940 1.00 55.20 C ATOM 477 C VAL A 41 3.395 2.940 0.717 1.00 13.10 C ATOM 478 O VAL A 41 4.102 3.380 1.624 1.00 15.20 O ATOM 479 CB VAL A 41 3.304 0.448 0.586 1.00 41.10 C ATOM 480 CG1 VAL A 41 4.496 0.286 1.516 1.00 51.10 C ATOM 481 CG2 VAL A 41 2.405 -0.779 0.641 1.00 3.35 C ATOM 0 H VAL A 41 1.180 1.096 -0.558 1.00 4.00 H new ATOM 0 HA VAL A 41 2.214 1.674 1.989 1.00 55.20 H new ATOM 0 HB VAL A 41 3.679 0.550 -0.432 1.00 41.10 H new ATOM 0 HG11 VAL A 41 5.045 -0.617 1.250 1.00 51.10 H new ATOM 0 HG12 VAL A 41 5.152 1.151 1.420 1.00 51.10 H new ATOM 0 HG13 VAL A 41 4.146 0.208 2.545 1.00 51.10 H new ATOM 0 HG21 VAL A 41 2.985 -1.667 0.388 1.00 3.35 H new ATOM 0 HG22 VAL A 41 1.997 -0.886 1.646 1.00 3.35 H new ATOM 0 HG23 VAL A 41 1.588 -0.664 -0.072 1.00 3.35 H new ATOM 491 N GLN A 42 3.351 3.484 -0.495 1.00 53.30 N ATOM 492 CA GLN A 42 4.151 4.654 -0.837 1.00 54.10 C ATOM 493 C GLN A 42 3.715 5.868 -0.022 1.00 12.00 C ATOM 494 O GLN A 42 4.541 6.551 0.582 1.00 12.50 O ATOM 495 CB GLN A 42 4.033 4.959 -2.331 1.00 3.30 C ATOM 496 CG GLN A 42 5.069 4.242 -3.182 1.00 50.40 C ATOM 497 CD GLN A 42 4.870 4.480 -4.666 1.00 71.30 C ATOM 498 OE1 GLN A 42 3.920 5.146 -5.078 1.00 3.32 O ATOM 499 NE2 GLN A 42 5.768 3.935 -5.478 1.00 1.35 N ATOM 0 H GLN A 42 2.770 3.133 -1.256 1.00 53.30 H new ATOM 0 HA GLN A 42 5.192 4.434 -0.599 1.00 54.10 H new ATOM 0 HB2 GLN A 42 3.037 4.678 -2.673 1.00 3.30 H new ATOM 0 HB3 GLN A 42 4.131 6.034 -2.483 1.00 3.30 H new ATOM 0 HG2 GLN A 42 6.065 4.578 -2.894 1.00 50.40 H new ATOM 0 HG3 GLN A 42 5.022 3.172 -2.980 1.00 50.40 H new ATOM 0 HE21 GLN A 42 6.540 3.390 -5.093 1.00 1.35 H new ATOM 0 HE22 GLN A 42 5.686 4.061 -6.487 1.00 1.35 H new ATOM 508 N TYR A 43 2.412 6.129 -0.011 1.00 14.10 N ATOM 509 CA TYR A 43 1.866 7.261 0.729 1.00 44.30 C ATOM 510 C TYR A 43 1.918 7.004 2.231 1.00 11.40 C ATOM 511 O TYR A 43 2.156 7.919 3.020 1.00 44.20 O ATOM 512 CB TYR A 43 0.424 7.532 0.296 1.00 32.10 C ATOM 513 CG TYR A 43 0.281 7.838 -1.178 1.00 24.30 C ATOM 514 CD1 TYR A 43 0.813 9.001 -1.720 1.00 71.10 C ATOM 515 CD2 TYR A 43 -0.386 6.964 -2.027 1.00 42.30 C ATOM 516 CE1 TYR A 43 0.684 9.284 -3.067 1.00 62.20 C ATOM 517 CE2 TYR A 43 -0.519 7.240 -3.374 1.00 23.00 C ATOM 518 CZ TYR A 43 0.018 8.401 -3.889 1.00 22.30 C ATOM 519 OH TYR A 43 -0.112 8.679 -5.230 1.00 60.00 O ATOM 0 H TYR A 43 1.715 5.572 -0.506 1.00 14.10 H new ATOM 0 HA TYR A 43 2.476 8.137 0.507 1.00 44.30 H new ATOM 0 HB2 TYR A 43 -0.189 6.664 0.539 1.00 32.10 H new ATOM 0 HB3 TYR A 43 0.032 8.370 0.872 1.00 32.10 H new ATOM 0 HD1 TYR A 43 1.336 9.695 -1.079 1.00 71.10 H new ATOM 0 HD2 TYR A 43 -0.808 6.054 -1.627 1.00 42.30 H new ATOM 0 HE1 TYR A 43 1.103 10.193 -3.473 1.00 62.20 H new ATOM 0 HE2 TYR A 43 -1.041 6.550 -4.020 1.00 23.00 H new ATOM 0 HH TYR A 43 -0.607 7.955 -5.668 1.00 60.00 H new ATOM 529 N PHE A 44 1.694 5.753 2.621 1.00 32.10 N ATOM 530 CA PHE A 44 1.716 5.375 4.029 1.00 71.40 C ATOM 531 C PHE A 44 3.088 5.637 4.641 1.00 24.10 C ATOM 532 O PHE A 44 3.209 6.355 5.634 1.00 21.20 O ATOM 533 CB PHE A 44 1.347 3.899 4.189 1.00 42.00 C ATOM 534 CG PHE A 44 -0.131 3.659 4.304 1.00 62.40 C ATOM 535 CD1 PHE A 44 -0.896 4.384 5.204 1.00 30.00 C ATOM 536 CD2 PHE A 44 -0.756 2.710 3.512 1.00 63.40 C ATOM 537 CE1 PHE A 44 -2.256 4.165 5.313 1.00 62.10 C ATOM 538 CE2 PHE A 44 -2.116 2.486 3.616 1.00 5.41 C ATOM 539 CZ PHE A 44 -2.867 3.215 4.517 1.00 55.20 C ATOM 0 H PHE A 44 1.495 4.984 1.981 1.00 32.10 H new ATOM 0 HA PHE A 44 0.981 5.985 4.554 1.00 71.40 H new ATOM 0 HB2 PHE A 44 1.732 3.342 3.335 1.00 42.00 H new ATOM 0 HB3 PHE A 44 1.841 3.503 5.076 1.00 42.00 H new ATOM 0 HD1 PHE A 44 -0.424 5.129 5.827 1.00 30.00 H new ATOM 0 HD2 PHE A 44 -0.174 2.138 2.805 1.00 63.40 H new ATOM 0 HE1 PHE A 44 -2.841 4.736 6.019 1.00 62.10 H new ATOM 0 HE2 PHE A 44 -2.591 1.742 2.994 1.00 5.41 H new ATOM 0 HZ PHE A 44 -3.930 3.043 4.599 1.00 55.20 H new ATOM 549 N LEU A 45 4.120 5.051 4.042 1.00 13.40 N ATOM 550 CA LEU A 45 5.484 5.221 4.528 1.00 63.10 C ATOM 551 C LEU A 45 5.894 6.690 4.496 1.00 42.30 C ATOM 552 O LEU A 45 6.681 7.143 5.326 1.00 41.50 O ATOM 553 CB LEU A 45 6.455 4.389 3.688 1.00 1.31 C ATOM 554 CG LEU A 45 6.233 2.877 3.750 1.00 4.24 C ATOM 555 CD1 LEU A 45 7.196 2.158 2.818 1.00 63.40 C ATOM 556 CD2 LEU A 45 6.394 2.375 5.177 1.00 42.40 C ATOM 0 H LEU A 45 4.037 4.454 3.219 1.00 13.40 H new ATOM 0 HA LEU A 45 5.521 4.875 5.561 1.00 63.10 H new ATOM 0 HB2 LEU A 45 6.379 4.710 2.649 1.00 1.31 H new ATOM 0 HB3 LEU A 45 7.472 4.605 4.015 1.00 1.31 H new ATOM 0 HG LEU A 45 5.216 2.663 3.422 1.00 4.24 H new ATOM 0 HD11 LEU A 45 7.024 1.083 2.875 1.00 63.40 H new ATOM 0 HD12 LEU A 45 7.034 2.498 1.795 1.00 63.40 H new ATOM 0 HD13 LEU A 45 8.222 2.377 3.115 1.00 63.40 H new ATOM 0 HD21 LEU A 45 6.233 1.297 5.204 1.00 42.40 H new ATOM 0 HD22 LEU A 45 7.400 2.600 5.531 1.00 42.40 H new ATOM 0 HD23 LEU A 45 5.665 2.867 5.820 1.00 42.40 H new ATOM 568 N HIS A 46 5.355 7.428 3.531 1.00 13.40 N ATOM 569 CA HIS A 46 5.665 8.846 3.390 1.00 65.10 C ATOM 570 C HIS A 46 5.254 9.619 4.639 1.00 42.20 C ATOM 571 O HIS A 46 5.946 10.544 5.064 1.00 44.30 O ATOM 572 CB HIS A 46 4.958 9.424 2.163 1.00 63.40 C ATOM 573 CG HIS A 46 5.375 10.825 1.837 1.00 21.00 C ATOM 574 ND1 HIS A 46 4.885 12.016 2.255 1.00 42.30 N flip ATOM 575 CD2 HIS A 46 6.416 11.121 0.982 1.00 54.10 C flip ATOM 576 CE1 HIS A 46 5.632 12.998 1.652 1.00 45.10 C flip ATOM 577 NE2 HIS A 46 6.549 12.432 0.890 1.00 41.30 N flip ATOM 0 H HIS A 46 4.702 7.068 2.835 1.00 13.40 H new ATOM 0 HA HIS A 46 6.743 8.946 3.261 1.00 65.10 H new ATOM 0 HB2 HIS A 46 5.159 8.785 1.303 1.00 63.40 H new ATOM 0 HB3 HIS A 46 3.881 9.404 2.331 1.00 63.40 H new ATOM 0 HD1 HIS A 46 4.106 12.158 2.898 1.00 42.30 H new ATOM 0 HD2 HIS A 46 7.027 10.394 0.468 1.00 54.10 H new ATOM 0 HE1 HIS A 46 5.492 14.061 1.781 1.00 45.10 H new ATOM 586 N VAL A 47 4.124 9.234 5.222 1.00 71.10 N ATOM 587 CA VAL A 47 3.622 9.891 6.423 1.00 11.30 C ATOM 588 C VAL A 47 4.393 9.441 7.659 1.00 61.40 C ATOM 589 O VAL A 47 4.700 10.246 8.538 1.00 71.10 O ATOM 590 CB VAL A 47 2.123 9.605 6.635 1.00 43.20 C ATOM 591 CG1 VAL A 47 1.572 10.453 7.770 1.00 53.40 C ATOM 592 CG2 VAL A 47 1.346 9.849 5.350 1.00 71.40 C ATOM 0 H VAL A 47 3.539 8.471 4.883 1.00 71.10 H new ATOM 0 HA VAL A 47 3.763 10.962 6.280 1.00 11.30 H new ATOM 0 HB VAL A 47 2.007 8.556 6.908 1.00 43.20 H new ATOM 0 HG11 VAL A 47 0.512 10.237 7.904 1.00 53.40 H new ATOM 0 HG12 VAL A 47 2.109 10.222 8.690 1.00 53.40 H new ATOM 0 HG13 VAL A 47 1.699 11.509 7.530 1.00 53.40 H new ATOM 0 HG21 VAL A 47 0.289 9.642 5.519 1.00 71.40 H new ATOM 0 HG22 VAL A 47 1.468 10.888 5.043 1.00 71.40 H new ATOM 0 HG23 VAL A 47 1.724 9.192 4.566 1.00 71.40 H new ATOM 602 N VAL A 48 4.702 8.150 7.720 1.00 10.10 N ATOM 603 CA VAL A 48 5.438 7.593 8.849 1.00 41.30 C ATOM 604 C VAL A 48 6.872 8.110 8.879 1.00 73.20 C ATOM 605 O VAL A 48 7.415 8.404 9.944 1.00 60.50 O ATOM 606 CB VAL A 48 5.461 6.054 8.801 1.00 52.30 C ATOM 607 CG1 VAL A 48 6.054 5.488 10.081 1.00 40.20 C ATOM 608 CG2 VAL A 48 4.061 5.507 8.565 1.00 10.30 C ATOM 0 H VAL A 48 4.454 7.470 7.001 1.00 10.10 H new ATOM 0 HA VAL A 48 4.919 7.913 9.753 1.00 41.30 H new ATOM 0 HB VAL A 48 6.093 5.744 7.969 1.00 52.30 H new ATOM 0 HG11 VAL A 48 6.062 4.399 10.028 1.00 40.20 H new ATOM 0 HG12 VAL A 48 7.074 5.853 10.202 1.00 40.20 H new ATOM 0 HG13 VAL A 48 5.452 5.806 10.932 1.00 40.20 H new ATOM 0 HG21 VAL A 48 4.096 4.418 8.534 1.00 10.30 H new ATOM 0 HG22 VAL A 48 3.405 5.826 9.375 1.00 10.30 H new ATOM 0 HG23 VAL A 48 3.678 5.885 7.617 1.00 10.30 H new ATOM 618 N LYS A 49 7.481 8.220 7.702 1.00 34.30 N ATOM 619 CA LYS A 49 8.853 8.702 7.594 1.00 21.20 C ATOM 620 C LYS A 49 8.928 10.198 7.880 1.00 2.44 C ATOM 621 O LYS A 49 9.685 10.637 8.746 1.00 21.10 O ATOM 622 CB LYS A 49 9.410 8.409 6.199 1.00 3.21 C ATOM 623 CG LYS A 49 10.851 8.854 6.014 1.00 41.50 C ATOM 624 CD LYS A 49 11.094 9.390 4.612 1.00 22.10 C ATOM 625 CE LYS A 49 11.999 10.611 4.631 1.00 54.40 C ATOM 626 NZ LYS A 49 11.517 11.646 5.586 1.00 35.30 N ATOM 0 H LYS A 49 7.046 7.982 6.811 1.00 34.30 H new ATOM 0 HA LYS A 49 9.455 8.178 8.336 1.00 21.20 H new ATOM 0 HB2 LYS A 49 9.342 7.338 6.007 1.00 3.21 H new ATOM 0 HB3 LYS A 49 8.787 8.906 5.456 1.00 3.21 H new ATOM 0 HG2 LYS A 49 11.091 9.625 6.746 1.00 41.50 H new ATOM 0 HG3 LYS A 49 11.519 8.014 6.204 1.00 41.50 H new ATOM 0 HD2 LYS A 49 11.545 8.611 3.997 1.00 22.10 H new ATOM 0 HD3 LYS A 49 10.141 9.649 4.150 1.00 22.10 H new ATOM 0 HE2 LYS A 49 13.010 10.309 4.903 1.00 54.40 H new ATOM 0 HE3 LYS A 49 12.053 11.038 3.630 1.00 54.40 H new ATOM 0 HZ1 LYS A 49 11.793 12.589 5.244 1.00 35.30 H new ATOM 0 HZ2 LYS A 49 10.481 11.594 5.661 1.00 35.30 H new ATOM 0 HZ3 LYS A 49 11.940 11.479 6.521 1.00 35.30 H new ATOM 640 N TYR A 50 8.138 10.976 7.147 1.00 72.40 N ATOM 641 CA TYR A 50 8.115 12.423 7.322 1.00 4.33 C ATOM 642 C TYR A 50 7.694 12.793 8.741 1.00 14.20 C ATOM 643 O TYR A 50 8.518 13.212 9.554 1.00 11.50 O ATOM 644 CB TYR A 50 7.163 13.065 6.311 1.00 74.30 C ATOM 645 CG TYR A 50 7.767 13.240 4.936 1.00 52.10 C ATOM 646 CD1 TYR A 50 8.227 12.146 4.214 1.00 30.50 C ATOM 647 CD2 TYR A 50 7.878 14.499 4.360 1.00 62.30 C ATOM 648 CE1 TYR A 50 8.779 12.301 2.957 1.00 51.10 C ATOM 649 CE2 TYR A 50 8.429 14.663 3.103 1.00 60.20 C ATOM 650 CZ TYR A 50 8.878 13.562 2.406 1.00 23.00 C ATOM 651 OH TYR A 50 9.427 13.721 1.155 1.00 10.50 O ATOM 0 H TYR A 50 7.505 10.628 6.426 1.00 72.40 H new ATOM 0 HA TYR A 50 9.123 12.801 7.152 1.00 4.33 H new ATOM 0 HB2 TYR A 50 6.266 12.451 6.229 1.00 74.30 H new ATOM 0 HB3 TYR A 50 6.850 14.039 6.687 1.00 74.30 H new ATOM 0 HD1 TYR A 50 8.152 11.158 4.643 1.00 30.50 H new ATOM 0 HD2 TYR A 50 7.528 15.364 4.903 1.00 62.30 H new ATOM 0 HE1 TYR A 50 9.131 11.440 2.409 1.00 51.10 H new ATOM 0 HE2 TYR A 50 8.507 15.649 2.669 1.00 60.20 H new ATOM 0 HH TYR A 50 8.791 13.411 0.477 1.00 10.50 H new ATOM 661 N GLU A 51 6.407 12.636 9.030 1.00 21.20 N ATOM 662 CA GLU A 51 5.876 12.953 10.351 1.00 2.14 C ATOM 663 C GLU A 51 4.487 12.352 10.538 1.00 31.30 C ATOM 664 O GLU A 51 3.479 12.978 10.209 1.00 13.20 O ATOM 665 CB GLU A 51 5.820 14.469 10.550 1.00 10.20 C ATOM 666 CG GLU A 51 5.205 15.214 9.377 1.00 31.40 C ATOM 667 CD GLU A 51 5.214 16.718 9.572 1.00 34.30 C ATOM 668 OE1 GLU A 51 6.315 17.294 9.693 1.00 12.30 O ATOM 669 OE2 GLU A 51 4.120 17.319 9.604 1.00 24.20 O ATOM 0 H GLU A 51 5.712 12.291 8.368 1.00 21.20 H new ATOM 0 HA GLU A 51 6.542 12.520 11.097 1.00 2.14 H new ATOM 0 HB2 GLU A 51 5.246 14.688 11.450 1.00 10.20 H new ATOM 0 HB3 GLU A 51 6.830 14.843 10.718 1.00 10.20 H new ATOM 0 HG2 GLU A 51 5.752 14.966 8.467 1.00 31.40 H new ATOM 0 HG3 GLU A 51 4.179 14.876 9.234 1.00 31.40 H new ATOM 676 N ALA A 52 4.441 11.135 11.069 1.00 30.30 N ATOM 677 CA ALA A 52 3.175 10.449 11.300 1.00 21.10 C ATOM 678 C ALA A 52 2.287 11.243 12.252 1.00 63.00 C ATOM 679 O ALA A 52 2.634 12.350 12.663 1.00 74.30 O ATOM 680 CB ALA A 52 3.425 9.053 11.849 1.00 14.00 C ATOM 0 H ALA A 52 5.266 10.603 11.348 1.00 30.30 H new ATOM 0 HA ALA A 52 2.655 10.365 10.346 1.00 21.10 H new ATOM 0 HB1 ALA A 52 2.472 8.552 12.017 1.00 14.00 H new ATOM 0 HB2 ALA A 52 4.015 8.481 11.133 1.00 14.00 H new ATOM 0 HB3 ALA A 52 3.968 9.124 12.791 1.00 14.00 H new ATOM 686 N GLN A 53 1.139 10.670 12.598 1.00 61.10 N ATOM 687 CA GLN A 53 0.200 11.324 13.502 1.00 1.12 C ATOM 688 C GLN A 53 0.568 11.054 14.957 1.00 44.50 C ATOM 689 O GLN A 53 0.579 11.965 15.785 1.00 61.10 O ATOM 690 CB GLN A 53 -1.225 10.842 13.226 1.00 21.20 C ATOM 691 CG GLN A 53 -1.625 10.931 11.762 1.00 72.40 C ATOM 692 CD GLN A 53 -1.770 12.362 11.283 1.00 30.10 C ATOM 693 OE1 GLN A 53 -2.375 13.196 11.956 1.00 54.10 O ATOM 694 NE2 GLN A 53 -1.213 12.653 10.113 1.00 53.40 N ATOM 0 H GLN A 53 0.837 9.754 12.266 1.00 61.10 H new ATOM 0 HA GLN A 53 0.253 12.398 13.326 1.00 1.12 H new ATOM 0 HB2 GLN A 53 -1.321 9.808 13.558 1.00 21.20 H new ATOM 0 HB3 GLN A 53 -1.921 11.433 13.821 1.00 21.20 H new ATOM 0 HG2 GLN A 53 -0.878 10.422 11.153 1.00 72.40 H new ATOM 0 HG3 GLN A 53 -2.568 10.405 11.614 1.00 72.40 H new ATOM 0 HE21 GLN A 53 -0.721 11.930 9.589 1.00 53.40 H new ATOM 0 HE22 GLN A 53 -1.277 13.600 9.739 1.00 53.40 H new ATOM 703 N GLY A 54 0.869 9.796 15.263 1.00 15.40 N ATOM 704 CA GLY A 54 1.234 9.429 16.618 1.00 25.30 C ATOM 705 C GLY A 54 1.798 8.024 16.707 1.00 1.04 C ATOM 706 O GLY A 54 1.910 7.328 15.698 1.00 21.20 O ATOM 0 H GLY A 54 0.867 9.024 14.596 1.00 15.40 H new ATOM 0 HA2 GLY A 54 1.971 10.137 16.997 1.00 25.30 H new ATOM 0 HA3 GLY A 54 0.357 9.506 17.261 1.00 25.30 H new ATOM 710 N ASP A 55 2.155 7.608 17.918 1.00 41.10 N ATOM 711 CA ASP A 55 2.711 6.277 18.135 1.00 23.30 C ATOM 712 C ASP A 55 1.722 5.197 17.708 1.00 74.30 C ATOM 713 O ASP A 55 2.056 4.311 16.922 1.00 51.00 O ATOM 714 CB ASP A 55 3.082 6.091 19.607 1.00 74.30 C ATOM 715 CG ASP A 55 4.506 6.520 19.903 1.00 23.10 C ATOM 716 OD1 ASP A 55 4.916 7.594 19.414 1.00 20.50 O ATOM 717 OD2 ASP A 55 5.211 5.781 20.622 1.00 61.10 O ATOM 0 H ASP A 55 2.069 8.173 18.763 1.00 41.10 H new ATOM 0 HA ASP A 55 3.610 6.182 17.525 1.00 23.30 H new ATOM 0 HB2 ASP A 55 2.395 6.667 20.227 1.00 74.30 H new ATOM 0 HB3 ASP A 55 2.957 5.043 19.881 1.00 74.30 H new ATOM 722 N LYS A 56 0.503 5.278 18.231 1.00 64.20 N ATOM 723 CA LYS A 56 -0.535 4.308 17.904 1.00 41.10 C ATOM 724 C LYS A 56 -0.833 4.314 16.408 1.00 14.30 C ATOM 725 O LYS A 56 -1.168 3.281 15.828 1.00 61.30 O ATOM 726 CB LYS A 56 -1.812 4.610 18.691 1.00 21.10 C ATOM 727 CG LYS A 56 -2.639 3.375 19.007 1.00 31.10 C ATOM 728 CD LYS A 56 -3.835 3.714 19.881 1.00 24.30 C ATOM 729 CE LYS A 56 -4.246 2.534 20.746 1.00 75.40 C ATOM 730 NZ LYS A 56 -5.384 1.779 20.153 1.00 2.10 N ATOM 0 H LYS A 56 0.210 6.006 18.883 1.00 64.20 H new ATOM 0 HA LYS A 56 -0.172 3.318 18.180 1.00 41.10 H new ATOM 0 HB2 LYS A 56 -1.545 5.106 19.624 1.00 21.10 H new ATOM 0 HB3 LYS A 56 -2.423 5.310 18.121 1.00 21.10 H new ATOM 0 HG2 LYS A 56 -2.983 2.919 18.079 1.00 31.10 H new ATOM 0 HG3 LYS A 56 -2.015 2.638 19.512 1.00 31.10 H new ATOM 0 HD2 LYS A 56 -3.592 4.565 20.517 1.00 24.30 H new ATOM 0 HD3 LYS A 56 -4.673 4.015 19.252 1.00 24.30 H new ATOM 0 HE2 LYS A 56 -3.395 1.865 20.875 1.00 75.40 H new ATOM 0 HE3 LYS A 56 -4.525 2.891 21.738 1.00 75.40 H new ATOM 0 HZ1 LYS A 56 -5.633 0.983 20.774 1.00 2.10 H new ATOM 0 HZ2 LYS A 56 -6.205 2.410 20.053 1.00 2.10 H new ATOM 0 HZ3 LYS A 56 -5.110 1.416 19.218 1.00 2.10 H new ATOM 744 N ALA A 57 -0.710 5.483 15.790 1.00 53.30 N ATOM 745 CA ALA A 57 -0.965 5.623 14.362 1.00 14.10 C ATOM 746 C ALA A 57 0.119 4.935 13.540 1.00 74.30 C ATOM 747 O ALA A 57 -0.173 4.244 12.564 1.00 63.30 O ATOM 748 CB ALA A 57 -1.062 7.094 13.985 1.00 52.30 C ATOM 0 H ALA A 57 -0.435 6.348 16.256 1.00 53.30 H new ATOM 0 HA ALA A 57 -1.915 5.138 14.139 1.00 14.10 H new ATOM 0 HB1 ALA A 57 -1.253 7.184 12.916 1.00 52.30 H new ATOM 0 HB2 ALA A 57 -1.878 7.559 14.539 1.00 52.30 H new ATOM 0 HB3 ALA A 57 -0.125 7.595 14.230 1.00 52.30 H new ATOM 754 N LYS A 58 1.371 5.129 13.941 1.00 2.23 N ATOM 755 CA LYS A 58 2.499 4.526 13.241 1.00 70.40 C ATOM 756 C LYS A 58 2.394 3.004 13.247 1.00 62.30 C ATOM 757 O LYS A 58 2.545 2.357 12.211 1.00 21.40 O ATOM 758 CB LYS A 58 3.817 4.961 13.885 1.00 43.30 C ATOM 759 CG LYS A 58 4.103 6.446 13.742 1.00 34.10 C ATOM 760 CD LYS A 58 5.118 6.920 14.769 1.00 11.30 C ATOM 761 CE LYS A 58 5.869 8.149 14.285 1.00 15.50 C ATOM 762 NZ LYS A 58 7.245 8.218 14.850 1.00 13.00 N ATOM 0 H LYS A 58 1.630 5.699 14.747 1.00 2.23 H new ATOM 0 HA LYS A 58 2.477 4.869 12.206 1.00 70.40 H new ATOM 0 HB2 LYS A 58 3.796 4.704 14.944 1.00 43.30 H new ATOM 0 HB3 LYS A 58 4.635 4.397 13.436 1.00 43.30 H new ATOM 0 HG2 LYS A 58 4.477 6.650 12.739 1.00 34.10 H new ATOM 0 HG3 LYS A 58 3.177 7.009 13.858 1.00 34.10 H new ATOM 0 HD2 LYS A 58 4.610 7.149 15.706 1.00 11.30 H new ATOM 0 HD3 LYS A 58 5.827 6.119 14.978 1.00 11.30 H new ATOM 0 HE2 LYS A 58 5.924 8.135 13.196 1.00 15.50 H new ATOM 0 HE3 LYS A 58 5.316 9.046 14.565 1.00 15.50 H new ATOM 0 HZ1 LYS A 58 7.724 9.071 14.495 1.00 13.00 H new ATOM 0 HZ2 LYS A 58 7.193 8.257 15.888 1.00 13.00 H new ATOM 0 HZ3 LYS A 58 7.781 7.375 14.562 1.00 13.00 H new ATOM 776 N GLN A 59 2.136 2.439 14.422 1.00 24.30 N ATOM 777 CA GLN A 59 2.010 0.993 14.563 1.00 31.30 C ATOM 778 C GLN A 59 0.875 0.458 13.697 1.00 51.20 C ATOM 779 O GLN A 59 0.944 -0.660 13.186 1.00 14.20 O ATOM 780 CB GLN A 59 1.768 0.622 16.028 1.00 42.40 C ATOM 781 CG GLN A 59 0.528 1.269 16.622 1.00 24.40 C ATOM 782 CD GLN A 59 0.213 0.756 18.014 1.00 14.20 C ATOM 783 OE1 GLN A 59 0.571 1.379 19.013 1.00 33.10 O ATOM 784 NE2 GLN A 59 -0.460 -0.386 18.085 1.00 45.10 N ATOM 0 H GLN A 59 2.010 2.960 15.290 1.00 24.30 H new ATOM 0 HA GLN A 59 2.942 0.538 14.229 1.00 31.30 H new ATOM 0 HB2 GLN A 59 1.677 -0.461 16.110 1.00 42.40 H new ATOM 0 HB3 GLN A 59 2.638 0.914 16.617 1.00 42.40 H new ATOM 0 HG2 GLN A 59 0.669 2.349 16.660 1.00 24.40 H new ATOM 0 HG3 GLN A 59 -0.324 1.082 15.968 1.00 24.40 H new ATOM 0 HE21 GLN A 59 -0.737 -0.869 17.230 1.00 45.10 H new ATOM 0 HE22 GLN A 59 -0.700 -0.781 18.994 1.00 45.10 H new ATOM 793 N SER A 60 -0.169 1.264 13.535 1.00 21.10 N ATOM 794 CA SER A 60 -1.320 0.872 12.729 1.00 52.20 C ATOM 795 C SER A 60 -0.932 0.724 11.262 1.00 33.40 C ATOM 796 O SER A 60 -1.271 -0.268 10.617 1.00 40.50 O ATOM 797 CB SER A 60 -2.442 1.901 12.870 1.00 42.20 C ATOM 798 OG SER A 60 -3.713 1.273 12.883 1.00 71.50 O ATOM 0 H SER A 60 -0.242 2.192 13.951 1.00 21.10 H new ATOM 0 HA SER A 60 -1.674 -0.093 13.092 1.00 52.20 H new ATOM 0 HB2 SER A 60 -2.305 2.469 13.790 1.00 42.20 H new ATOM 0 HB3 SER A 60 -2.393 2.612 12.045 1.00 42.20 H new ATOM 0 HG SER A 60 -4.413 1.953 12.976 1.00 71.50 H new ATOM 804 N ILE A 61 -0.218 1.716 10.740 1.00 74.30 N ATOM 805 CA ILE A 61 0.217 1.696 9.349 1.00 32.40 C ATOM 806 C ILE A 61 1.313 0.658 9.132 1.00 24.30 C ATOM 807 O ILE A 61 1.393 0.038 8.071 1.00 74.10 O ATOM 808 CB ILE A 61 0.736 3.076 8.902 1.00 65.30 C ATOM 809 CG1 ILE A 61 -0.272 4.167 9.266 1.00 71.00 C ATOM 810 CG2 ILE A 61 1.010 3.080 7.405 1.00 33.20 C ATOM 811 CD1 ILE A 61 0.173 5.558 8.869 1.00 51.00 C ATOM 0 H ILE A 61 0.072 2.544 11.260 1.00 74.30 H new ATOM 0 HA ILE A 61 -0.654 1.433 8.749 1.00 32.40 H new ATOM 0 HB ILE A 61 1.671 3.282 9.424 1.00 65.30 H new ATOM 0 HG12 ILE A 61 -1.224 3.947 8.782 1.00 71.00 H new ATOM 0 HG13 ILE A 61 -0.448 4.144 10.341 1.00 71.00 H new ATOM 0 HG21 ILE A 61 1.376 4.062 7.105 1.00 33.20 H new ATOM 0 HG22 ILE A 61 1.761 2.326 7.171 1.00 33.20 H new ATOM 0 HG23 ILE A 61 0.090 2.856 6.866 1.00 33.20 H new ATOM 0 HD11 ILE A 61 -0.590 6.280 9.158 1.00 51.00 H new ATOM 0 HD12 ILE A 61 1.109 5.798 9.373 1.00 51.00 H new ATOM 0 HD13 ILE A 61 0.321 5.598 7.790 1.00 51.00 H new ATOM 823 N ARG A 62 2.155 0.473 10.143 1.00 23.10 N ATOM 824 CA ARG A 62 3.247 -0.490 10.062 1.00 75.10 C ATOM 825 C ARG A 62 2.712 -1.899 9.826 1.00 44.20 C ATOM 826 O ARG A 62 3.271 -2.662 9.038 1.00 35.40 O ATOM 827 CB ARG A 62 4.081 -0.457 11.344 1.00 11.00 C ATOM 828 CG ARG A 62 5.204 0.566 11.312 1.00 21.00 C ATOM 829 CD ARG A 62 5.671 0.924 12.714 1.00 10.00 C ATOM 830 NE ARG A 62 6.285 2.249 12.764 1.00 32.40 N ATOM 831 CZ ARG A 62 6.601 2.877 13.895 1.00 61.20 C ATOM 832 NH1 ARG A 62 6.362 2.305 15.069 1.00 22.50 N ATOM 833 NH2 ARG A 62 7.156 4.080 13.852 1.00 44.30 N ATOM 0 H ARG A 62 2.102 0.977 11.028 1.00 23.10 H new ATOM 0 HA ARG A 62 3.880 -0.214 9.219 1.00 75.10 H new ATOM 0 HB2 ARG A 62 3.426 -0.240 12.188 1.00 11.00 H new ATOM 0 HB3 ARG A 62 4.506 -1.446 11.517 1.00 11.00 H new ATOM 0 HG2 ARG A 62 6.042 0.170 10.738 1.00 21.00 H new ATOM 0 HG3 ARG A 62 4.864 1.466 10.800 1.00 21.00 H new ATOM 0 HD2 ARG A 62 4.823 0.891 13.398 1.00 10.00 H new ATOM 0 HD3 ARG A 62 6.388 0.179 13.059 1.00 10.00 H new ATOM 0 HE ARG A 62 6.483 2.720 11.881 1.00 32.40 H new ATOM 0 HH11 ARG A 62 5.934 1.380 15.108 1.00 22.50 H new ATOM 0 HH12 ARG A 62 6.606 2.791 15.932 1.00 22.50 H new ATOM 0 HH21 ARG A 62 7.341 4.524 12.953 1.00 44.30 H new ATOM 0 HH22 ARG A 62 7.398 4.561 14.718 1.00 44.30 H new ATOM 847 N ALA A 63 1.627 -2.238 10.515 1.00 71.00 N ATOM 848 CA ALA A 63 1.016 -3.554 10.380 1.00 21.00 C ATOM 849 C ALA A 63 0.331 -3.706 9.026 1.00 44.40 C ATOM 850 O ALA A 63 0.346 -4.782 8.429 1.00 62.30 O ATOM 851 CB ALA A 63 0.022 -3.792 11.506 1.00 73.20 C ATOM 0 H ALA A 63 1.153 -1.619 11.173 1.00 71.00 H new ATOM 0 HA ALA A 63 1.806 -4.302 10.443 1.00 21.00 H new ATOM 0 HB1 ALA A 63 -0.427 -4.779 11.393 1.00 73.20 H new ATOM 0 HB2 ALA A 63 0.538 -3.736 12.465 1.00 73.20 H new ATOM 0 HB3 ALA A 63 -0.758 -3.032 11.469 1.00 73.20 H new ATOM 857 N LYS A 64 -0.269 -2.621 8.548 1.00 34.40 N ATOM 858 CA LYS A 64 -0.959 -2.633 7.264 1.00 23.20 C ATOM 859 C LYS A 64 0.037 -2.593 6.109 1.00 31.00 C ATOM 860 O LYS A 64 -0.167 -3.233 5.078 1.00 52.30 O ATOM 861 CB LYS A 64 -1.919 -1.445 7.166 1.00 52.00 C ATOM 862 CG LYS A 64 -3.041 -1.485 8.189 1.00 72.20 C ATOM 863 CD LYS A 64 -4.332 -0.916 7.623 1.00 0.22 C ATOM 864 CE LYS A 64 -4.394 0.594 7.785 1.00 23.10 C ATOM 865 NZ LYS A 64 -5.774 1.063 8.091 1.00 35.30 N ATOM 0 H LYS A 64 -0.291 -1.723 9.031 1.00 34.40 H new ATOM 0 HA LYS A 64 -1.529 -3.559 7.196 1.00 23.20 H new ATOM 0 HB2 LYS A 64 -1.355 -0.521 7.294 1.00 52.00 H new ATOM 0 HB3 LYS A 64 -2.351 -1.419 6.166 1.00 52.00 H new ATOM 0 HG2 LYS A 64 -3.206 -2.514 8.510 1.00 72.20 H new ATOM 0 HG3 LYS A 64 -2.749 -0.918 9.073 1.00 72.20 H new ATOM 0 HD2 LYS A 64 -4.412 -1.173 6.567 1.00 0.22 H new ATOM 0 HD3 LYS A 64 -5.184 -1.372 8.127 1.00 0.22 H new ATOM 0 HE2 LYS A 64 -3.720 0.901 8.585 1.00 23.10 H new ATOM 0 HE3 LYS A 64 -4.042 1.072 6.871 1.00 23.10 H new ATOM 0 HZ1 LYS A 64 -5.774 2.098 8.194 1.00 35.30 H new ATOM 0 HZ2 LYS A 64 -6.413 0.792 7.316 1.00 35.30 H new ATOM 0 HZ3 LYS A 64 -6.100 0.627 8.977 1.00 35.30 H new ATOM 879 N CYS A 65 1.115 -1.838 6.291 1.00 4.23 N ATOM 880 CA CYS A 65 2.144 -1.715 5.265 1.00 54.10 C ATOM 881 C CYS A 65 2.838 -3.053 5.027 1.00 43.20 C ATOM 882 O CYS A 65 3.281 -3.344 3.917 1.00 21.40 O ATOM 883 CB CYS A 65 3.174 -0.659 5.670 1.00 40.50 C ATOM 884 SG CYS A 65 2.782 1.011 5.096 1.00 35.40 S ATOM 0 H CYS A 65 1.299 -1.302 7.139 1.00 4.23 H new ATOM 0 HA CYS A 65 1.662 -1.406 4.338 1.00 54.10 H new ATOM 0 HB2 CYS A 65 3.259 -0.648 6.757 1.00 40.50 H new ATOM 0 HB3 CYS A 65 4.149 -0.948 5.277 1.00 40.50 H new ATOM 0 HG CYS A 65 3.709 1.834 5.489 1.00 35.40 H new ATOM 890 N THR A 66 2.927 -3.863 6.077 1.00 64.30 N ATOM 891 CA THR A 66 3.566 -5.170 5.982 1.00 64.30 C ATOM 892 C THR A 66 2.615 -6.198 5.378 1.00 70.10 C ATOM 893 O THR A 66 3.044 -7.129 4.696 1.00 61.40 O ATOM 894 CB THR A 66 4.030 -5.636 7.363 1.00 71.40 C ATOM 895 OG1 THR A 66 4.704 -6.878 7.273 1.00 45.40 O ATOM 896 CG2 THR A 66 2.895 -5.800 8.351 1.00 64.30 C ATOM 0 H THR A 66 2.565 -3.637 7.003 1.00 64.30 H new ATOM 0 HA THR A 66 4.433 -5.076 5.328 1.00 64.30 H new ATOM 0 HB THR A 66 4.695 -4.852 7.724 1.00 71.40 H new ATOM 0 HG1 THR A 66 4.994 -7.158 8.166 1.00 45.40 H new ATOM 0 HG21 THR A 66 3.293 -6.132 9.310 1.00 64.30 H new ATOM 0 HG22 THR A 66 2.385 -4.846 8.481 1.00 64.30 H new ATOM 0 HG23 THR A 66 2.189 -6.540 7.975 1.00 64.30 H new ATOM 904 N GLU A 67 1.323 -6.023 5.634 1.00 14.10 N ATOM 905 CA GLU A 67 0.311 -6.936 5.115 1.00 1.22 C ATOM 906 C GLU A 67 0.155 -6.776 3.606 1.00 2.42 C ATOM 907 O GLU A 67 0.145 -7.759 2.866 1.00 53.40 O ATOM 908 CB GLU A 67 -1.031 -6.689 5.807 1.00 11.30 C ATOM 909 CG GLU A 67 -2.134 -7.629 5.348 1.00 41.00 C ATOM 910 CD GLU A 67 -3.221 -7.804 6.390 1.00 50.20 C ATOM 911 OE1 GLU A 67 -3.832 -6.789 6.787 1.00 40.20 O ATOM 912 OE2 GLU A 67 -3.463 -8.956 6.808 1.00 53.20 O ATOM 0 H GLU A 67 0.952 -5.258 6.197 1.00 14.10 H new ATOM 0 HA GLU A 67 0.637 -7.955 5.322 1.00 1.22 H new ATOM 0 HB2 GLU A 67 -0.900 -6.794 6.884 1.00 11.30 H new ATOM 0 HB3 GLU A 67 -1.341 -5.661 5.623 1.00 11.30 H new ATOM 0 HG2 GLU A 67 -2.575 -7.244 4.429 1.00 41.00 H new ATOM 0 HG3 GLU A 67 -1.703 -8.602 5.111 1.00 41.00 H new ATOM 919 N TYR A 68 0.035 -5.530 3.158 1.00 41.20 N ATOM 920 CA TYR A 68 -0.120 -5.242 1.737 1.00 61.50 C ATOM 921 C TYR A 68 1.171 -5.534 0.978 1.00 13.10 C ATOM 922 O TYR A 68 1.143 -6.059 -0.135 1.00 52.00 O ATOM 923 CB TYR A 68 -0.524 -3.781 1.533 1.00 32.30 C ATOM 924 CG TYR A 68 -1.754 -3.377 2.316 1.00 63.40 C ATOM 925 CD1 TYR A 68 -2.862 -4.212 2.384 1.00 71.30 C ATOM 926 CD2 TYR A 68 -1.806 -2.162 2.986 1.00 13.10 C ATOM 927 CE1 TYR A 68 -3.988 -3.847 3.098 1.00 3.55 C ATOM 928 CE2 TYR A 68 -2.928 -1.790 3.703 1.00 3.30 C ATOM 929 CZ TYR A 68 -4.015 -2.635 3.755 1.00 43.30 C ATOM 930 OH TYR A 68 -5.134 -2.269 4.467 1.00 23.30 O ATOM 0 H TYR A 68 0.042 -4.705 3.758 1.00 41.20 H new ATOM 0 HA TYR A 68 -0.905 -5.888 1.345 1.00 61.50 H new ATOM 0 HB2 TYR A 68 0.308 -3.139 1.823 1.00 32.30 H new ATOM 0 HB3 TYR A 68 -0.706 -3.608 0.472 1.00 32.30 H new ATOM 0 HD1 TYR A 68 -2.843 -5.162 1.871 1.00 71.30 H new ATOM 0 HD2 TYR A 68 -0.956 -1.497 2.946 1.00 13.10 H new ATOM 0 HE1 TYR A 68 -4.842 -4.507 3.141 1.00 3.55 H new ATOM 0 HE2 TYR A 68 -2.952 -0.842 4.220 1.00 3.30 H new ATOM 0 HH TYR A 68 -5.580 -3.071 4.811 1.00 23.30 H new ATOM 940 N LEU A 69 2.301 -5.191 1.588 1.00 12.20 N ATOM 941 CA LEU A 69 3.602 -5.416 0.971 1.00 61.20 C ATOM 942 C LEU A 69 3.829 -6.901 0.708 1.00 63.30 C ATOM 943 O LEU A 69 4.317 -7.286 -0.355 1.00 23.30 O ATOM 944 CB LEU A 69 4.716 -4.868 1.865 1.00 1.20 C ATOM 945 CG LEU A 69 5.010 -3.377 1.692 1.00 51.20 C ATOM 946 CD1 LEU A 69 5.910 -2.878 2.812 1.00 41.40 C ATOM 947 CD2 LEU A 69 5.648 -3.114 0.336 1.00 70.30 C ATOM 0 H LEU A 69 2.341 -4.756 2.510 1.00 12.20 H new ATOM 0 HA LEU A 69 3.620 -4.889 0.017 1.00 61.20 H new ATOM 0 HB2 LEU A 69 4.449 -5.052 2.906 1.00 1.20 H new ATOM 0 HB3 LEU A 69 5.629 -5.428 1.666 1.00 1.20 H new ATOM 0 HG LEU A 69 4.068 -2.832 1.740 1.00 51.20 H new ATOM 0 HD11 LEU A 69 6.109 -1.815 2.673 1.00 41.40 H new ATOM 0 HD12 LEU A 69 5.416 -3.032 3.771 1.00 41.40 H new ATOM 0 HD13 LEU A 69 6.851 -3.428 2.795 1.00 41.40 H new ATOM 0 HD21 LEU A 69 5.850 -2.048 0.230 1.00 70.30 H new ATOM 0 HD22 LEU A 69 6.582 -3.670 0.259 1.00 70.30 H new ATOM 0 HD23 LEU A 69 4.969 -3.435 -0.454 1.00 70.30 H new ATOM 959 N ASP A 70 3.473 -7.731 1.683 1.00 34.20 N ATOM 960 CA ASP A 70 3.638 -9.175 1.557 1.00 21.10 C ATOM 961 C ASP A 70 2.838 -9.713 0.375 1.00 2.30 C ATOM 962 O ASP A 70 3.354 -10.470 -0.439 1.00 30.20 O ATOM 963 CB ASP A 70 3.199 -9.874 2.845 1.00 12.10 C ATOM 964 CG ASP A 70 3.908 -11.190 3.055 1.00 75.20 C ATOM 965 OD1 ASP A 70 3.572 -12.170 2.347 1.00 5.41 O ATOM 966 OD2 ASP A 70 4.799 -11.260 3.928 1.00 2.31 O ATOM 0 H ASP A 70 3.068 -7.429 2.569 1.00 34.20 H new ATOM 0 HA ASP A 70 4.694 -9.381 1.382 1.00 21.10 H new ATOM 0 HB2 ASP A 70 3.394 -9.220 3.695 1.00 12.10 H new ATOM 0 HB3 ASP A 70 2.123 -10.045 2.814 1.00 12.10 H new ATOM 971 N ARG A 71 1.576 -9.306 0.286 1.00 43.30 N ATOM 972 CA ARG A 71 0.705 -9.748 -0.797 1.00 25.30 C ATOM 973 C ARG A 71 1.145 -9.147 -2.128 1.00 13.20 C ATOM 974 O ARG A 71 1.279 -9.856 -3.126 1.00 11.20 O ATOM 975 CB ARG A 71 -0.745 -9.359 -0.503 1.00 61.10 C ATOM 976 CG ARG A 71 -1.508 -10.400 0.287 1.00 73.40 C ATOM 977 CD ARG A 71 -2.319 -11.310 -0.626 1.00 42.30 C ATOM 978 NE ARG A 71 -3.612 -10.720 -0.970 1.00 61.20 N ATOM 979 CZ ARG A 71 -4.625 -10.610 -0.114 1.00 41.10 C ATOM 980 NH1 ARG A 71 -4.498 -11.040 1.137 1.00 54.10 N ATOM 981 NH2 ARG A 71 -5.767 -10.060 -0.508 1.00 54.20 N ATOM 0 H ARG A 71 1.134 -8.671 0.951 1.00 43.30 H new ATOM 0 HA ARG A 71 0.776 -10.833 -0.868 1.00 25.30 H new ATOM 0 HB2 ARG A 71 -0.755 -8.419 0.048 1.00 61.10 H new ATOM 0 HB3 ARG A 71 -1.262 -9.181 -1.446 1.00 61.10 H new ATOM 0 HG2 ARG A 71 -0.810 -10.999 0.872 1.00 73.40 H new ATOM 0 HG3 ARG A 71 -2.174 -9.906 0.994 1.00 73.40 H new ATOM 0 HD2 ARG A 71 -1.755 -11.507 -1.538 1.00 42.30 H new ATOM 0 HD3 ARG A 71 -2.477 -12.270 -0.135 1.00 42.30 H new ATOM 0 HE ARG A 71 -3.745 -10.373 -1.920 1.00 61.20 H new ATOM 0 HH11 ARG A 71 -3.620 -11.457 1.446 1.00 54.10 H new ATOM 0 HH12 ARG A 71 -5.278 -10.953 1.788 1.00 54.10 H new ATOM 0 HH21 ARG A 71 -5.867 -9.723 -1.465 1.00 54.20 H new ATOM 0 HH22 ARG A 71 -6.545 -9.975 0.147 1.00 54.20 H new ATOM 995 N ALA A 72 1.369 -7.837 -2.136 1.00 3.41 N ATOM 996 CA ALA A 72 1.794 -7.142 -3.344 1.00 43.40 C ATOM 997 C ALA A 72 3.144 -7.660 -3.829 1.00 55.50 C ATOM 998 O ALA A 72 3.358 -7.835 -5.029 1.00 44.00 O ATOM 999 CB ALA A 72 1.861 -5.643 -3.094 1.00 42.40 C ATOM 0 H ALA A 72 1.263 -7.236 -1.319 1.00 3.41 H new ATOM 0 HA ALA A 72 1.058 -7.337 -4.124 1.00 43.40 H new ATOM 0 HB1 ALA A 72 2.180 -5.136 -4.005 1.00 42.40 H new ATOM 0 HB2 ALA A 72 0.876 -5.279 -2.802 1.00 42.40 H new ATOM 0 HB3 ALA A 72 2.575 -5.439 -2.296 1.00 42.40 H new ATOM 1005 N GLU A 73 4.051 -7.902 -2.889 1.00 53.10 N ATOM 1006 CA GLU A 73 5.381 -8.401 -3.221 1.00 1.40 C ATOM 1007 C GLU A 73 5.296 -9.748 -3.931 1.00 5.05 C ATOM 1008 O GLU A 73 5.967 -9.973 -4.938 1.00 1.42 O ATOM 1009 CB GLU A 73 6.230 -8.531 -1.955 1.00 54.20 C ATOM 1010 CG GLU A 73 6.821 -7.214 -1.481 1.00 61.50 C ATOM 1011 CD GLU A 73 8.283 -7.064 -1.851 1.00 24.10 C ATOM 1012 OE1 GLU A 73 8.684 -7.588 -2.911 1.00 72.20 O ATOM 1013 OE2 GLU A 73 9.028 -6.422 -1.080 1.00 25.10 O ATOM 0 H GLU A 73 3.890 -7.761 -1.892 1.00 53.10 H new ATOM 0 HA GLU A 73 5.852 -7.685 -3.895 1.00 1.40 H new ATOM 0 HB2 GLU A 73 5.617 -8.952 -1.158 1.00 54.20 H new ATOM 0 HB3 GLU A 73 7.040 -9.237 -2.141 1.00 54.20 H new ATOM 0 HG2 GLU A 73 6.254 -6.389 -1.913 1.00 61.50 H new ATOM 0 HG3 GLU A 73 6.715 -7.141 -0.399 1.00 61.50 H new ATOM 1020 N LYS A 74 4.466 -10.640 -3.400 1.00 52.30 N ATOM 1021 CA LYS A 74 4.293 -11.960 -3.983 1.00 22.10 C ATOM 1022 C LYS A 74 3.505 -11.880 -5.287 1.00 63.40 C ATOM 1023 O LYS A 74 3.787 -12.610 -6.239 1.00 52.00 O ATOM 1024 CB LYS A 74 3.578 -12.890 -2.997 1.00 23.10 C ATOM 1025 CG LYS A 74 4.503 -13.500 -1.960 1.00 51.40 C ATOM 1026 CD LYS A 74 5.212 -14.730 -2.507 1.00 31.40 C ATOM 1027 CE LYS A 74 5.599 -15.690 -1.394 1.00 71.40 C ATOM 1028 NZ LYS A 74 6.874 -15.290 -0.735 1.00 25.00 N ATOM 0 H LYS A 74 3.904 -10.470 -2.566 1.00 52.30 H new ATOM 0 HA LYS A 74 5.281 -12.365 -4.200 1.00 22.10 H new ATOM 0 HB2 LYS A 74 2.792 -12.332 -2.488 1.00 23.10 H new ATOM 0 HB3 LYS A 74 3.091 -13.691 -3.553 1.00 23.10 H new ATOM 0 HG2 LYS A 74 5.241 -12.761 -1.648 1.00 51.40 H new ATOM 0 HG3 LYS A 74 3.930 -13.772 -1.074 1.00 51.40 H new ATOM 0 HD2 LYS A 74 4.562 -15.239 -3.219 1.00 31.40 H new ATOM 0 HD3 LYS A 74 6.105 -14.424 -3.052 1.00 31.40 H new ATOM 0 HE2 LYS A 74 4.802 -15.725 -0.651 1.00 71.40 H new ATOM 0 HE3 LYS A 74 5.701 -16.696 -1.801 1.00 71.40 H new ATOM 0 HZ1 LYS A 74 7.104 -15.969 0.018 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 7.640 -15.281 -1.438 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 6.769 -14.340 -0.324 1.00 25.00 H new ATOM 1042 N LEU A 75 2.517 -10.990 -5.324 1.00 4.42 N ATOM 1043 CA LEU A 75 1.688 -10.820 -6.511 1.00 52.10 C ATOM 1044 C LEU A 75 2.540 -10.430 -7.716 1.00 55.30 C ATOM 1045 O LEU A 75 2.462 -11.060 -8.773 1.00 73.40 O ATOM 1046 CB LEU A 75 0.615 -9.762 -6.259 1.00 60.40 C ATOM 1047 CG LEU A 75 -0.823 -10.280 -6.261 1.00 60.50 C ATOM 1048 CD1 LEU A 75 -1.226 -10.740 -4.870 1.00 21.30 C ATOM 1049 CD2 LEU A 75 -1.776 -9.207 -6.764 1.00 45.20 C ATOM 0 H LEU A 75 2.272 -10.377 -4.546 1.00 4.42 H new ATOM 0 HA LEU A 75 1.202 -11.771 -6.728 1.00 52.10 H new ATOM 0 HB2 LEU A 75 0.813 -9.289 -5.297 1.00 60.40 H new ATOM 0 HB3 LEU A 75 0.706 -8.987 -7.020 1.00 60.40 H new ATOM 0 HG LEU A 75 -0.879 -11.134 -6.936 1.00 60.50 H new ATOM 0 HD11 LEU A 75 -2.253 -11.105 -4.891 1.00 21.30 H new ATOM 0 HD12 LEU A 75 -0.562 -11.541 -4.545 1.00 21.30 H new ATOM 0 HD13 LEU A 75 -1.153 -9.904 -4.175 1.00 21.30 H new ATOM 0 HD21 LEU A 75 -2.795 -9.594 -6.758 1.00 45.20 H new ATOM 0 HD22 LEU A 75 -1.716 -8.334 -6.115 1.00 45.20 H new ATOM 0 HD23 LEU A 75 -1.501 -8.923 -7.780 1.00 45.20 H new ATOM 1061 N LYS A 76 3.354 -9.400 -7.547 1.00 11.40 N ATOM 1062 CA LYS A 76 4.223 -8.928 -8.619 1.00 33.20 C ATOM 1063 C LYS A 76 5.278 -9.975 -8.964 1.00 32.10 C ATOM 1064 O LYS A 76 5.758 -10.030 -10.090 1.00 32.30 O ATOM 1065 CB LYS A 76 4.901 -7.618 -8.215 1.00 71.20 C ATOM 1066 CG LYS A 76 5.759 -7.737 -6.966 1.00 12.10 C ATOM 1067 CD LYS A 76 6.120 -6.370 -6.406 1.00 51.50 C ATOM 1068 CE LYS A 76 7.344 -6.442 -5.508 1.00 70.20 C ATOM 1069 NZ LYS A 76 8.591 -6.081 -6.238 1.00 75.10 N ATOM 0 H LYS A 76 3.433 -8.873 -6.677 1.00 11.40 H new ATOM 0 HA LYS A 76 3.608 -8.753 -9.502 1.00 33.20 H new ATOM 0 HB2 LYS A 76 5.522 -7.270 -9.041 1.00 71.20 H new ATOM 0 HB3 LYS A 76 4.137 -6.859 -8.050 1.00 71.20 H new ATOM 0 HG2 LYS A 76 5.225 -8.312 -6.210 1.00 12.10 H new ATOM 0 HG3 LYS A 76 6.670 -8.288 -7.200 1.00 12.10 H new ATOM 0 HD2 LYS A 76 6.310 -5.678 -7.226 1.00 51.50 H new ATOM 0 HD3 LYS A 76 5.276 -5.972 -5.842 1.00 51.50 H new ATOM 0 HE2 LYS A 76 7.212 -5.770 -4.660 1.00 70.20 H new ATOM 0 HE3 LYS A 76 7.439 -7.450 -5.104 1.00 70.20 H new ATOM 0 HZ1 LYS A 76 9.402 -6.143 -5.590 1.00 75.10 H new ATOM 0 HZ2 LYS A 76 8.731 -6.738 -7.032 1.00 75.10 H new ATOM 0 HZ3 LYS A 76 8.511 -5.110 -6.602 1.00 75.10 H new ATOM 1083 N GLU A 77 5.635 -10.790 -7.980 1.00 74.40 N ATOM 1084 CA GLU A 77 6.635 -11.830 -8.177 1.00 25.40 C ATOM 1085 C GLU A 77 6.248 -12.760 -9.330 1.00 21.00 C ATOM 1086 O GLU A 77 7.020 -12.950 -10.270 1.00 4.33 O ATOM 1087 CB GLU A 77 6.808 -12.650 -6.894 1.00 2.41 C ATOM 1088 CG GLU A 77 8.227 -13.150 -6.679 1.00 42.50 C ATOM 1089 CD GLU A 77 8.400 -14.600 -7.078 1.00 51.20 C ATOM 1090 OE1 GLU A 77 7.607 -15.450 -6.610 1.00 23.30 O ATOM 1091 OE2 GLU A 77 9.329 -14.900 -7.860 1.00 54.30 O ATOM 0 H GLU A 77 5.247 -10.751 -7.038 1.00 74.40 H new ATOM 0 HA GLU A 77 7.577 -11.342 -8.427 1.00 25.40 H new ATOM 0 HB2 GLU A 77 6.513 -12.040 -6.040 1.00 2.41 H new ATOM 0 HB3 GLU A 77 6.131 -13.504 -6.924 1.00 2.41 H new ATOM 0 HG2 GLU A 77 8.917 -12.534 -7.256 1.00 42.50 H new ATOM 0 HG3 GLU A 77 8.495 -13.031 -5.629 1.00 42.50 H new ATOM 1098 N TYR A 78 5.051 -13.330 -9.252 1.00 44.40 N ATOM 1099 CA TYR A 78 4.571 -14.230 -10.290 1.00 24.00 C ATOM 1100 C TYR A 78 4.159 -13.460 -11.540 1.00 4.54 C ATOM 1101 O TYR A 78 4.367 -13.910 -12.660 1.00 13.20 O ATOM 1102 CB TYR A 78 3.398 -15.070 -9.769 1.00 34.00 C ATOM 1103 CG TYR A 78 2.058 -14.370 -9.803 1.00 41.20 C ATOM 1104 CD1 TYR A 78 1.344 -14.250 -10.980 1.00 12.40 C ATOM 1105 CD2 TYR A 78 1.508 -13.820 -8.649 1.00 71.40 C ATOM 1106 CE1 TYR A 78 0.120 -13.610 -11.020 1.00 62.10 C ATOM 1107 CE2 TYR A 78 0.285 -13.180 -8.677 1.00 41.40 C ATOM 1108 CZ TYR A 78 -0.405 -13.080 -9.867 1.00 34.50 C ATOM 1109 OH TYR A 78 -1.623 -12.440 -9.898 1.00 73.40 O ATOM 0 H TYR A 78 4.398 -13.185 -8.482 1.00 44.40 H new ATOM 0 HA TYR A 78 5.389 -14.898 -10.560 1.00 24.00 H new ATOM 0 HB2 TYR A 78 3.331 -15.983 -10.361 1.00 34.00 H new ATOM 0 HB3 TYR A 78 3.611 -15.370 -8.743 1.00 34.00 H new ATOM 0 HD1 TYR A 78 1.752 -14.666 -11.889 1.00 12.40 H new ATOM 0 HD2 TYR A 78 2.047 -13.895 -7.716 1.00 71.40 H new ATOM 0 HE1 TYR A 78 -0.420 -13.527 -11.952 1.00 62.10 H new ATOM 0 HE2 TYR A 78 -0.129 -12.760 -7.772 1.00 41.40 H new ATOM 0 HH TYR A 78 -2.172 -12.745 -9.146 1.00 73.40 H new ATOM 1119 N LEU A 79 3.573 -12.280 -11.330 1.00 63.30 N ATOM 1120 CA LEU A 79 3.132 -11.440 -12.440 1.00 62.40 C ATOM 1121 C LEU A 79 4.305 -11.070 -13.340 1.00 65.40 C ATOM 1122 O LEU A 79 4.156 -10.960 -14.560 1.00 0.02 O ATOM 1123 CB LEU A 79 2.455 -10.180 -11.910 1.00 44.20 C ATOM 1124 CG LEU A 79 0.991 -10.350 -11.500 1.00 71.10 C ATOM 1125 CD1 LEU A 79 0.528 -9.169 -10.670 1.00 72.10 C ATOM 1126 CD2 LEU A 79 0.111 -10.510 -12.730 1.00 11.40 C ATOM 0 H LEU A 79 3.394 -11.888 -10.406 1.00 63.30 H new ATOM 0 HA LEU A 79 2.413 -12.005 -13.032 1.00 62.40 H new ATOM 0 HB2 LEU A 79 3.017 -9.820 -11.049 1.00 44.20 H new ATOM 0 HB3 LEU A 79 2.514 -9.406 -12.675 1.00 44.20 H new ATOM 0 HG LEU A 79 0.907 -11.251 -10.892 1.00 71.10 H new ATOM 0 HD11 LEU A 79 -0.516 -9.309 -10.388 1.00 72.10 H new ATOM 0 HD12 LEU A 79 1.140 -9.094 -9.771 1.00 72.10 H new ATOM 0 HD13 LEU A 79 0.627 -8.253 -11.253 1.00 72.10 H new ATOM 0 HD21 LEU A 79 -0.927 -10.630 -12.421 1.00 11.40 H new ATOM 0 HD22 LEU A 79 0.202 -9.625 -13.360 1.00 11.40 H new ATOM 0 HD23 LEU A 79 0.427 -11.390 -13.291 1.00 11.40 H new ATOM 1138 N LYS A 80 5.471 -10.870 -12.730 1.00 5.01 N ATOM 1139 CA LYS A 80 6.671 -10.510 -13.480 1.00 52.50 C ATOM 1140 C LYS A 80 7.382 -11.750 -14.000 1.00 34.30 C ATOM 1141 O LYS A 80 8.008 -11.720 -15.060 1.00 24.40 O ATOM 1142 CB LYS A 80 7.619 -9.703 -12.590 1.00 11.30 C ATOM 1143 CG LYS A 80 7.428 -8.201 -12.720 1.00 34.20 C ATOM 1144 CD LYS A 80 8.741 -7.456 -12.540 1.00 3.13 C ATOM 1145 CE LYS A 80 9.363 -7.100 -13.880 1.00 22.20 C ATOM 1146 NZ LYS A 80 8.838 -5.812 -14.410 1.00 41.30 N ATOM 0 H LYS A 80 5.610 -10.951 -11.723 1.00 5.01 H new ATOM 0 HA LYS A 80 6.370 -9.904 -14.334 1.00 52.50 H new ATOM 0 HB2 LYS A 80 7.467 -9.994 -11.551 1.00 11.30 H new ATOM 0 HB3 LYS A 80 8.649 -9.955 -12.844 1.00 11.30 H new ATOM 0 HG2 LYS A 80 7.008 -7.970 -13.699 1.00 34.20 H new ATOM 0 HG3 LYS A 80 6.709 -7.859 -11.976 1.00 34.20 H new ATOM 0 HD2 LYS A 80 8.570 -6.547 -11.963 1.00 3.13 H new ATOM 0 HD3 LYS A 80 9.435 -8.071 -11.967 1.00 3.13 H new ATOM 0 HE2 LYS A 80 10.446 -7.034 -13.772 1.00 22.20 H new ATOM 0 HE3 LYS A 80 9.162 -7.896 -14.597 1.00 22.20 H new ATOM 0 HZ1 LYS A 80 9.287 -5.604 -15.325 1.00 41.30 H new ATOM 0 HZ2 LYS A 80 7.808 -5.883 -14.537 1.00 41.30 H new ATOM 0 HZ3 LYS A 80 9.052 -5.047 -13.738 1.00 41.30 H new ATOM 1160 N ASN A 81 7.283 -12.850 -13.250 1.00 31.40 N ATOM 1161 CA ASN A 81 7.917 -14.100 -13.640 1.00 32.50 C ATOM 1162 C ASN A 81 7.181 -14.740 -14.810 1.00 55.30 C ATOM 1163 O ASN A 81 7.794 -15.380 -15.670 1.00 72.40 O ATOM 1164 CB ASN A 81 7.954 -15.070 -12.450 1.00 42.30 C ATOM 1165 CG ASN A 81 9.193 -14.880 -11.600 1.00 20.40 C ATOM 1166 OD1 ASN A 81 10.168 -15.770 -11.770 1.00 31.30 O flip ATOM 1167 ND2 ASN A 81 9.274 -13.960 -10.790 1.00 74.30 N flip ATOM 0 H ASN A 81 6.769 -12.895 -12.370 1.00 31.40 H new ATOM 0 HA ASN A 81 8.938 -13.880 -13.953 1.00 32.50 H new ATOM 0 HB2 ASN A 81 7.066 -14.923 -11.835 1.00 42.30 H new ATOM 0 HB3 ASN A 81 7.920 -16.096 -12.817 1.00 42.30 H new ATOM 0 HD21 ASN A 81 8.504 -13.299 -10.691 1.00 74.30 H new ATOM 0 HD22 ASN A 81 10.112 -13.857 -10.217 1.00 74.30 H new TER 1174 ASN A 81