USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 716 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 30 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 12 HIS : no HD1:sc= -4.28! K(o=-8.9!,f=-4.5) USER MOD Set 1.3: B 13 HIS : no HD1:sc= -4.59! K(o=-8.9!,f=-6.2) USER MOD Set 2.1: A 12 HIS : no HD1:sc= -4.29! K(o=-8.9!,f=-4.5) USER MOD Set 2.2: A 13 HIS : no HD1:sc= -4.61! K(o=-8.9!,f=-6.1) USER MOD Set 2.3: B 30 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.519 K(o=-0.52,f=-1.7) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 8 ASN : amide:sc= -0.367 K(o=-0.37,f=-3.2!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0635 X(o=-0.063,f=-0.0085) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.8!) USER MOD Single : A 37 SER OG : rot 74:sc= 1.11 USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.498 K(o=-0.5,f=-1.8!) USER MOD Single : B 6 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : B 8 ASN : amide:sc= -0.487 K(o=-0.49,f=-3!) USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= -0.0905 X(o=-0.09,f=-0.0096) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 GLN : amide:sc= -1.34 K(o=-1.3,f=-2.7!) USER MOD Single : B 37 SER OG : rot 99:sc= 0.772 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -32.124 -1.158 6.436 1.00 0.00 N ATOM 2 CA ALA A 1 -30.779 -1.785 6.517 1.00 0.00 C ATOM 3 C ALA A 1 -30.858 -3.281 6.233 1.00 0.00 C ATOM 4 O ALA A 1 -30.669 -4.103 7.129 1.00 0.00 O ATOM 5 CB ALA A 1 -30.168 -1.541 7.889 1.00 0.00 C ATOM 0 H1 ALA A 1 -32.045 -0.140 6.633 1.00 0.00 H new ATOM 0 H2 ALA A 1 -32.515 -1.297 5.482 1.00 0.00 H new ATOM 0 H3 ALA A 1 -32.755 -1.598 7.136 1.00 0.00 H new ATOM 0 HA ALA A 1 -30.143 -1.328 5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -29.183 -2.005 7.936 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -30.073 -0.469 8.059 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -30.810 -1.974 8.656 1.00 0.00 H new ATOM 13 N LEU A 2 -31.145 -3.628 4.982 1.00 0.00 N ATOM 14 CA LEU A 2 -31.256 -5.028 4.586 1.00 0.00 C ATOM 15 C LEU A 2 -29.910 -5.583 4.118 1.00 0.00 C ATOM 16 O LEU A 2 -29.152 -6.138 4.913 1.00 0.00 O ATOM 17 CB LEU A 2 -32.308 -5.185 3.485 1.00 0.00 C ATOM 18 CG LEU A 2 -33.662 -5.714 3.957 1.00 0.00 C ATOM 19 CD1 LEU A 2 -34.749 -4.677 3.729 1.00 0.00 C ATOM 20 CD2 LEU A 2 -34.003 -7.014 3.243 1.00 0.00 C ATOM 0 H LEU A 2 -31.305 -2.961 4.227 1.00 0.00 H new ATOM 0 HA LEU A 2 -31.568 -5.600 5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -32.459 -4.217 3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -31.917 -5.859 2.723 1.00 0.00 H new ATOM 0 HG LEU A 2 -33.600 -5.915 5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -35.706 -5.072 4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -34.510 -3.771 4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -34.812 -4.444 2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -34.970 -7.377 3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -34.046 -6.838 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -33.237 -7.759 3.458 1.00 0.00 H new ATOM 32 N LYS A 3 -29.616 -5.434 2.827 1.00 0.00 N ATOM 33 CA LYS A 3 -28.361 -5.927 2.259 1.00 0.00 C ATOM 34 C LYS A 3 -27.174 -5.615 3.167 1.00 0.00 C ATOM 35 O LYS A 3 -26.591 -4.533 3.093 1.00 0.00 O ATOM 36 CB LYS A 3 -28.134 -5.313 0.876 1.00 0.00 C ATOM 37 CG LYS A 3 -27.888 -6.341 -0.216 1.00 0.00 C ATOM 38 CD LYS A 3 -29.161 -6.645 -0.991 1.00 0.00 C ATOM 39 CE LYS A 3 -29.013 -7.902 -1.833 1.00 0.00 C ATOM 40 NZ LYS A 3 -30.332 -8.513 -2.157 1.00 0.00 N ATOM 0 H LYS A 3 -30.230 -4.976 2.154 1.00 0.00 H new ATOM 0 HA LYS A 3 -28.439 -7.010 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -29.003 -4.712 0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -27.281 -4.636 0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -27.124 -5.972 -0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -27.502 -7.259 0.227 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -29.991 -6.767 -0.296 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -29.406 -5.801 -1.635 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -28.488 -7.660 -2.757 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -28.399 -8.627 -1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -30.187 -9.367 -2.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -30.822 -8.768 -1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -30.909 -7.831 -2.690 1.00 0.00 H new ATOM 54 N LYS A 4 -26.820 -6.571 4.023 1.00 0.00 N ATOM 55 CA LYS A 4 -25.702 -6.397 4.943 1.00 0.00 C ATOM 56 C LYS A 4 -24.450 -7.108 4.436 1.00 0.00 C ATOM 57 O LYS A 4 -23.529 -7.383 5.205 1.00 0.00 O ATOM 58 CB LYS A 4 -26.070 -6.921 6.332 1.00 0.00 C ATOM 59 CG LYS A 4 -26.296 -8.424 6.376 1.00 0.00 C ATOM 60 CD LYS A 4 -25.041 -9.163 6.813 1.00 0.00 C ATOM 61 CE LYS A 4 -25.375 -10.513 7.427 1.00 0.00 C ATOM 62 NZ LYS A 4 -24.152 -11.251 7.846 1.00 0.00 N ATOM 0 H LYS A 4 -27.291 -7.472 4.098 1.00 0.00 H new ATOM 0 HA LYS A 4 -25.487 -5.330 5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -25.275 -6.661 7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -26.973 -6.416 6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -27.111 -8.651 7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -26.603 -8.776 5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -24.384 -9.305 5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -24.495 -8.558 7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -26.025 -10.368 8.290 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -25.931 -11.112 6.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -24.423 -12.166 8.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -23.543 -11.412 7.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -23.634 -10.691 8.553 1.00 0.00 H new ATOM 76 N HIS A 5 -24.417 -7.400 3.138 1.00 0.00 N ATOM 77 CA HIS A 5 -23.272 -8.073 2.537 1.00 0.00 C ATOM 78 C HIS A 5 -22.379 -7.067 1.819 1.00 0.00 C ATOM 79 O HIS A 5 -21.160 -7.231 1.762 1.00 0.00 O ATOM 80 CB HIS A 5 -23.736 -9.152 1.555 1.00 0.00 C ATOM 81 CG HIS A 5 -24.987 -9.857 1.983 1.00 0.00 C ATOM 82 ND1 HIS A 5 -25.318 -10.069 3.305 1.00 0.00 N ATOM 83 CD2 HIS A 5 -25.990 -10.399 1.253 1.00 0.00 C ATOM 84 CE1 HIS A 5 -26.471 -10.712 3.370 1.00 0.00 C ATOM 85 NE2 HIS A 5 -26.899 -10.923 2.140 1.00 0.00 N ATOM 0 H HIS A 5 -25.169 -7.181 2.485 1.00 0.00 H new ATOM 0 HA HIS A 5 -22.699 -8.547 3.334 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -23.902 -8.696 0.579 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -22.940 -9.886 1.432 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -26.062 -10.416 0.176 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -26.977 -11.013 4.276 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -27.765 -11.399 1.888 1.00 0.00 H new ATOM 94 N HIS A 6 -22.999 -6.026 1.275 1.00 0.00 N ATOM 95 CA HIS A 6 -22.267 -4.987 0.561 1.00 0.00 C ATOM 96 C HIS A 6 -21.504 -4.093 1.531 1.00 0.00 C ATOM 97 O HIS A 6 -20.377 -3.687 1.256 1.00 0.00 O ATOM 98 CB HIS A 6 -23.228 -4.144 -0.279 1.00 0.00 C ATOM 99 CG HIS A 6 -23.472 -4.700 -1.648 1.00 0.00 C ATOM 100 ND1 HIS A 6 -23.525 -6.052 -1.913 1.00 0.00 N ATOM 101 CD2 HIS A 6 -23.678 -4.078 -2.833 1.00 0.00 C ATOM 102 CE1 HIS A 6 -23.752 -6.238 -3.201 1.00 0.00 C ATOM 103 NE2 HIS A 6 -23.849 -5.057 -3.780 1.00 0.00 N ATOM 0 H HIS A 6 -24.008 -5.879 1.315 1.00 0.00 H new ATOM 0 HA HIS A 6 -21.548 -5.473 -0.098 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -24.180 -4.062 0.246 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -22.827 -3.135 -0.372 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -23.703 -3.012 -3.002 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -23.843 -7.194 -3.695 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -24.023 -4.897 -4.772 1.00 0.00 H new ATOM 112 N GLU A 7 -22.122 -3.790 2.668 1.00 0.00 N ATOM 113 CA GLU A 7 -21.491 -2.941 3.672 1.00 0.00 C ATOM 114 C GLU A 7 -20.308 -3.654 4.317 1.00 0.00 C ATOM 115 O GLU A 7 -19.318 -3.023 4.687 1.00 0.00 O ATOM 116 CB GLU A 7 -22.506 -2.536 4.743 1.00 0.00 C ATOM 117 CG GLU A 7 -23.819 -2.025 4.174 1.00 0.00 C ATOM 118 CD GLU A 7 -25.027 -2.643 4.851 1.00 0.00 C ATOM 119 OE1 GLU A 7 -24.852 -3.286 5.906 1.00 0.00 O ATOM 120 OE2 GLU A 7 -26.149 -2.484 4.324 1.00 0.00 O ATOM 0 H GLU A 7 -23.055 -4.118 2.917 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.125 -2.043 3.175 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -22.707 -3.394 5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.067 -1.763 5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -23.861 -0.941 4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -23.856 -2.240 3.106 1.00 0.00 H new ATOM 127 N ASN A 8 -20.414 -4.971 4.442 1.00 0.00 N ATOM 128 CA ASN A 8 -19.345 -5.766 5.033 1.00 0.00 C ATOM 129 C ASN A 8 -18.129 -5.785 4.114 1.00 0.00 C ATOM 130 O ASN A 8 -16.992 -5.630 4.563 1.00 0.00 O ATOM 131 CB ASN A 8 -19.825 -7.194 5.296 1.00 0.00 C ATOM 132 CG ASN A 8 -20.005 -7.479 6.775 1.00 0.00 C ATOM 133 OD1 ASN A 8 -19.635 -6.670 7.625 1.00 0.00 O ATOM 134 ND2 ASN A 8 -20.574 -8.638 7.089 1.00 0.00 N ATOM 0 H ASN A 8 -21.227 -5.510 4.143 1.00 0.00 H new ATOM 0 HA ASN A 8 -19.062 -5.311 5.982 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -20.771 -7.358 4.779 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -19.107 -7.899 4.877 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -20.719 -8.886 8.068 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -20.866 -9.279 6.351 1.00 0.00 H new ATOM 141 N GLU A 9 -18.381 -5.969 2.822 1.00 0.00 N ATOM 142 CA GLU A 9 -17.310 -6.002 1.835 1.00 0.00 C ATOM 143 C GLU A 9 -16.555 -4.683 1.816 1.00 0.00 C ATOM 144 O GLU A 9 -15.324 -4.666 1.824 1.00 0.00 O ATOM 145 CB GLU A 9 -17.873 -6.306 0.446 1.00 0.00 C ATOM 146 CG GLU A 9 -16.815 -6.736 -0.558 1.00 0.00 C ATOM 147 CD GLU A 9 -17.227 -6.460 -1.992 1.00 0.00 C ATOM 148 OE1 GLU A 9 -18.363 -5.987 -2.203 1.00 0.00 O ATOM 149 OE2 GLU A 9 -16.412 -6.716 -2.903 1.00 0.00 O ATOM 0 H GLU A 9 -19.316 -6.097 2.435 1.00 0.00 H new ATOM 0 HA GLU A 9 -16.615 -6.794 2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -18.623 -7.093 0.531 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -18.383 -5.420 0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.883 -6.213 -0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.618 -7.801 -0.439 1.00 0.00 H new ATOM 156 N ILE A 10 -17.289 -3.576 1.802 1.00 0.00 N ATOM 157 CA ILE A 10 -16.657 -2.268 1.796 1.00 0.00 C ATOM 158 C ILE A 10 -15.960 -2.015 3.122 1.00 0.00 C ATOM 159 O ILE A 10 -14.981 -1.282 3.187 1.00 0.00 O ATOM 160 CB ILE A 10 -17.659 -1.135 1.507 1.00 0.00 C ATOM 161 CG1 ILE A 10 -18.648 -0.967 2.657 1.00 0.00 C ATOM 162 CG2 ILE A 10 -18.400 -1.409 0.211 1.00 0.00 C ATOM 163 CD1 ILE A 10 -19.681 0.106 2.395 1.00 0.00 C ATOM 0 H ILE A 10 -18.309 -3.560 1.795 1.00 0.00 H new ATOM 0 HA ILE A 10 -15.924 -2.270 0.990 1.00 0.00 H new ATOM 0 HB ILE A 10 -17.099 -0.205 1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -19.154 -1.916 2.835 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -18.100 -0.722 3.567 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -19.106 -0.601 0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -17.686 -1.472 -0.610 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -18.941 -2.351 0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -20.355 0.178 3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -19.181 1.063 2.245 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -20.252 -0.149 1.502 1.00 0.00 H new ATOM 175 N SER A 11 -16.456 -2.649 4.179 1.00 0.00 N ATOM 176 CA SER A 11 -15.851 -2.504 5.493 1.00 0.00 C ATOM 177 C SER A 11 -14.400 -2.964 5.440 1.00 0.00 C ATOM 178 O SER A 11 -13.502 -2.313 5.981 1.00 0.00 O ATOM 179 CB SER A 11 -16.624 -3.314 6.535 1.00 0.00 C ATOM 180 OG SER A 11 -17.105 -2.482 7.575 1.00 0.00 O ATOM 0 H SER A 11 -17.270 -3.264 4.150 1.00 0.00 H new ATOM 0 HA SER A 11 -15.886 -1.454 5.783 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.461 -3.823 6.057 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.978 -4.086 6.952 1.00 0.00 H new ATOM 0 HG SER A 11 -17.597 -3.024 8.227 1.00 0.00 H new ATOM 186 N HIS A 12 -14.175 -4.088 4.762 1.00 0.00 N ATOM 187 CA HIS A 12 -12.834 -4.627 4.617 1.00 0.00 C ATOM 188 C HIS A 12 -12.001 -3.699 3.726 1.00 0.00 C ATOM 189 O HIS A 12 -10.823 -3.462 3.993 1.00 0.00 O ATOM 190 CB HIS A 12 -12.910 -6.071 4.067 1.00 0.00 C ATOM 191 CG HIS A 12 -11.952 -6.401 2.959 1.00 0.00 C ATOM 192 ND1 HIS A 12 -10.678 -6.882 3.176 1.00 0.00 N ATOM 193 CD2 HIS A 12 -12.096 -6.316 1.618 1.00 0.00 C ATOM 194 CE1 HIS A 12 -10.078 -7.077 2.014 1.00 0.00 C ATOM 195 NE2 HIS A 12 -10.919 -6.742 1.053 1.00 0.00 N ATOM 0 H HIS A 12 -14.904 -4.638 4.308 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.338 -4.677 5.586 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -12.735 -6.763 4.891 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -13.924 -6.251 3.710 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -12.974 -5.976 1.089 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -9.073 -7.447 1.875 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -10.726 -6.792 0.053 1.00 0.00 H new ATOM 204 N HIS A 13 -12.627 -3.165 2.680 1.00 0.00 N ATOM 205 CA HIS A 13 -11.942 -2.254 1.769 1.00 0.00 C ATOM 206 C HIS A 13 -11.484 -1.006 2.510 1.00 0.00 C ATOM 207 O HIS A 13 -10.521 -0.357 2.110 1.00 0.00 O ATOM 208 CB HIS A 13 -12.851 -1.846 0.612 1.00 0.00 C ATOM 209 CG HIS A 13 -13.410 -2.993 -0.164 1.00 0.00 C ATOM 210 ND1 HIS A 13 -12.753 -4.194 -0.329 1.00 0.00 N ATOM 211 CD2 HIS A 13 -14.577 -3.108 -0.834 1.00 0.00 C ATOM 212 CE1 HIS A 13 -13.493 -4.999 -1.071 1.00 0.00 C ATOM 213 NE2 HIS A 13 -14.605 -4.364 -1.389 1.00 0.00 N ATOM 0 H HIS A 13 -13.602 -3.347 2.444 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.075 -2.779 1.368 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.676 -1.252 1.005 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.290 -1.203 -0.066 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -15.345 -2.353 -0.918 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -13.232 -6.005 -1.367 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -15.363 -4.744 -1.956 1.00 0.00 H new ATOM 222 N ALA A 14 -12.180 -0.678 3.596 1.00 0.00 N ATOM 223 CA ALA A 14 -11.836 0.489 4.394 1.00 0.00 C ATOM 224 C ALA A 14 -10.541 0.234 5.142 1.00 0.00 C ATOM 225 O ALA A 14 -9.583 0.997 5.028 1.00 0.00 O ATOM 226 CB ALA A 14 -12.961 0.824 5.363 1.00 0.00 C ATOM 0 H ALA A 14 -12.983 -1.204 3.940 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.697 1.344 3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.686 1.699 5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.872 1.035 4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.131 -0.022 6.029 1.00 0.00 H new ATOM 232 N LYS A 15 -10.512 -0.862 5.888 1.00 0.00 N ATOM 233 CA LYS A 15 -9.318 -1.235 6.629 1.00 0.00 C ATOM 234 C LYS A 15 -8.209 -1.671 5.670 1.00 0.00 C ATOM 235 O LYS A 15 -7.058 -1.836 6.075 1.00 0.00 O ATOM 236 CB LYS A 15 -9.633 -2.362 7.615 1.00 0.00 C ATOM 237 CG LYS A 15 -10.727 -2.012 8.611 1.00 0.00 C ATOM 238 CD LYS A 15 -10.518 -2.720 9.940 1.00 0.00 C ATOM 239 CE LYS A 15 -10.133 -1.743 11.038 1.00 0.00 C ATOM 240 NZ LYS A 15 -11.327 -1.204 11.744 1.00 0.00 N ATOM 0 H LYS A 15 -11.297 -1.504 5.995 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.975 -0.365 7.189 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.932 -3.249 7.056 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.725 -2.620 8.161 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.744 -0.934 8.771 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.698 -2.288 8.199 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.431 -3.244 10.222 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.738 -3.474 9.833 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.481 -2.241 11.755 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.563 -0.920 10.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.022 -0.541 12.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.937 -0.706 11.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.858 -1.987 12.176 1.00 0.00 H new ATOM 254 N GLU A 16 -8.561 -1.857 4.393 1.00 0.00 N ATOM 255 CA GLU A 16 -7.594 -2.273 3.387 1.00 0.00 C ATOM 256 C GLU A 16 -6.861 -1.071 2.799 1.00 0.00 C ATOM 257 O GLU A 16 -5.666 -1.144 2.527 1.00 0.00 O ATOM 258 CB GLU A 16 -8.287 -3.060 2.273 1.00 0.00 C ATOM 259 CG GLU A 16 -8.414 -4.548 2.562 1.00 0.00 C ATOM 260 CD GLU A 16 -7.105 -5.174 3.000 1.00 0.00 C ATOM 261 OE1 GLU A 16 -6.041 -4.581 2.726 1.00 0.00 O ATOM 262 OE2 GLU A 16 -7.144 -6.259 3.618 1.00 0.00 O ATOM 0 H GLU A 16 -9.508 -1.725 4.038 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.861 -2.917 3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.282 -2.644 2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.731 -2.925 1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.163 -4.700 3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.774 -5.058 1.669 1.00 0.00 H new ATOM 269 N ILE A 17 -7.576 0.039 2.607 1.00 0.00 N ATOM 270 CA ILE A 17 -6.963 1.245 2.059 1.00 0.00 C ATOM 271 C ILE A 17 -6.102 1.928 3.118 1.00 0.00 C ATOM 272 O ILE A 17 -5.071 2.528 2.806 1.00 0.00 O ATOM 273 CB ILE A 17 -8.028 2.233 1.524 1.00 0.00 C ATOM 274 CG1 ILE A 17 -7.383 3.568 1.126 1.00 0.00 C ATOM 275 CG2 ILE A 17 -9.121 2.447 2.562 1.00 0.00 C ATOM 276 CD1 ILE A 17 -8.378 4.627 0.702 1.00 0.00 C ATOM 0 H ILE A 17 -8.570 0.126 2.821 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.334 0.945 1.221 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.481 1.801 0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.802 3.945 1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.683 3.393 0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.862 3.144 2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.601 1.495 2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.683 2.856 3.473 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.846 5.540 0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.942 4.272 -0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.063 4.832 1.524 1.00 0.00 H new ATOM 288 N GLU A 18 -6.524 1.825 4.374 1.00 0.00 N ATOM 289 CA GLU A 18 -5.785 2.425 5.476 1.00 0.00 C ATOM 290 C GLU A 18 -4.565 1.581 5.828 1.00 0.00 C ATOM 291 O GLU A 18 -3.485 2.111 6.093 1.00 0.00 O ATOM 292 CB GLU A 18 -6.686 2.579 6.702 1.00 0.00 C ATOM 293 CG GLU A 18 -7.623 3.773 6.622 1.00 0.00 C ATOM 294 CD GLU A 18 -8.347 4.035 7.929 1.00 0.00 C ATOM 295 OE1 GLU A 18 -7.782 3.710 8.995 1.00 0.00 O ATOM 296 OE2 GLU A 18 -9.477 4.565 7.886 1.00 0.00 O ATOM 0 H GLU A 18 -7.373 1.332 4.653 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.447 3.412 5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.277 1.671 6.824 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.063 2.676 7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.053 4.659 6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.355 3.603 5.833 1.00 0.00 H new ATOM 303 N ARG A 19 -4.742 0.263 5.822 1.00 0.00 N ATOM 304 CA ARG A 19 -3.652 -0.651 6.134 1.00 0.00 C ATOM 305 C ARG A 19 -2.658 -0.717 4.981 1.00 0.00 C ATOM 306 O ARG A 19 -1.480 -1.011 5.181 1.00 0.00 O ATOM 307 CB ARG A 19 -4.197 -2.048 6.439 1.00 0.00 C ATOM 308 CG ARG A 19 -3.217 -2.934 7.191 1.00 0.00 C ATOM 309 CD ARG A 19 -3.801 -4.312 7.457 1.00 0.00 C ATOM 310 NE ARG A 19 -3.453 -5.266 6.408 1.00 0.00 N ATOM 311 CZ ARG A 19 -2.208 -5.644 6.141 1.00 0.00 C ATOM 312 NH1 ARG A 19 -1.197 -5.150 6.842 1.00 0.00 N ATOM 313 NH2 ARG A 19 -1.972 -6.517 5.170 1.00 0.00 N ATOM 0 H ARG A 19 -5.628 -0.193 5.605 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.135 -0.275 7.017 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.111 -1.952 7.026 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.469 -2.535 5.503 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.298 -3.033 6.614 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.950 -2.462 8.137 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.438 -4.680 8.417 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.886 -4.237 7.534 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.208 -5.664 5.849 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.374 -4.478 7.589 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.242 -5.442 6.635 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.747 -6.899 4.628 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.015 -6.807 4.966 1.00 0.00 H new ATOM 327 N LEU A 20 -3.139 -0.432 3.775 1.00 0.00 N ATOM 328 CA LEU A 20 -2.286 -0.450 2.597 1.00 0.00 C ATOM 329 C LEU A 20 -1.379 0.772 2.588 1.00 0.00 C ATOM 330 O LEU A 20 -0.206 0.683 2.233 1.00 0.00 O ATOM 331 CB LEU A 20 -3.129 -0.490 1.321 1.00 0.00 C ATOM 332 CG LEU A 20 -3.363 -1.884 0.734 1.00 0.00 C ATOM 333 CD1 LEU A 20 -2.135 -2.350 -0.033 1.00 0.00 C ATOM 334 CD2 LEU A 20 -3.714 -2.878 1.832 1.00 0.00 C ATOM 0 H LEU A 20 -4.112 -0.187 3.590 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.670 -1.348 2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.097 -0.035 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.644 0.127 0.565 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.203 -1.828 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.318 -3.343 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.927 -1.654 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.278 -2.388 0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.876 -3.862 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.896 -2.931 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.622 -2.553 2.340 1.00 0.00 H new ATOM 346 N GLN A 21 -1.931 1.913 2.992 1.00 0.00 N ATOM 347 CA GLN A 21 -1.166 3.153 3.040 1.00 0.00 C ATOM 348 C GLN A 21 -0.027 3.035 4.047 1.00 0.00 C ATOM 349 O GLN A 21 1.118 3.381 3.750 1.00 0.00 O ATOM 350 CB GLN A 21 -2.075 4.325 3.413 1.00 0.00 C ATOM 351 CG GLN A 21 -2.534 5.143 2.217 1.00 0.00 C ATOM 352 CD GLN A 21 -3.233 6.426 2.622 1.00 0.00 C ATOM 353 OE1 GLN A 21 -4.385 6.662 2.257 1.00 0.00 O ATOM 354 NE2 GLN A 21 -2.536 7.265 3.381 1.00 0.00 N ATOM 0 H GLN A 21 -2.902 2.003 3.290 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.744 3.336 2.052 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.950 3.942 3.938 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.546 4.978 4.108 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.673 5.384 1.594 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.210 4.542 1.608 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.584 7.029 3.660 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.953 8.145 3.684 1.00 0.00 H new ATOM 363 N LYS A 22 -0.346 2.536 5.238 1.00 0.00 N ATOM 364 CA LYS A 22 0.653 2.366 6.284 1.00 0.00 C ATOM 365 C LYS A 22 1.698 1.340 5.863 1.00 0.00 C ATOM 366 O LYS A 22 2.864 1.426 6.253 1.00 0.00 O ATOM 367 CB LYS A 22 -0.012 1.928 7.590 1.00 0.00 C ATOM 368 CG LYS A 22 0.724 2.395 8.835 1.00 0.00 C ATOM 369 CD LYS A 22 1.516 1.264 9.471 1.00 0.00 C ATOM 370 CE LYS A 22 0.608 0.305 10.224 1.00 0.00 C ATOM 371 NZ LYS A 22 0.964 -1.118 9.963 1.00 0.00 N ATOM 0 H LYS A 22 -1.287 2.243 5.501 1.00 0.00 H new ATOM 0 HA LYS A 22 1.147 3.324 6.444 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.032 2.313 7.615 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.081 0.840 7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.398 3.212 8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.008 2.789 9.556 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.061 0.721 8.699 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.258 1.677 10.154 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.675 0.506 11.293 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.427 0.480 9.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.322 -1.740 10.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.876 -1.317 8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.944 -1.292 10.266 1.00 0.00 H new ATOM 385 N GLU A 23 1.272 0.370 5.060 1.00 0.00 N ATOM 386 CA GLU A 23 2.167 -0.674 4.579 1.00 0.00 C ATOM 387 C GLU A 23 3.200 -0.103 3.613 1.00 0.00 C ATOM 388 O GLU A 23 4.361 -0.514 3.615 1.00 0.00 O ATOM 389 CB GLU A 23 1.368 -1.784 3.892 1.00 0.00 C ATOM 390 CG GLU A 23 1.613 -3.163 4.482 1.00 0.00 C ATOM 391 CD GLU A 23 0.353 -4.006 4.534 1.00 0.00 C ATOM 392 OE1 GLU A 23 -0.687 -3.492 4.996 1.00 0.00 O ATOM 393 OE2 GLU A 23 0.408 -5.180 4.111 1.00 0.00 O ATOM 0 H GLU A 23 0.311 0.286 4.729 1.00 0.00 H new ATOM 0 HA GLU A 23 2.692 -1.092 5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.305 -1.552 3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.622 -1.801 2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.367 -3.680 3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.017 -3.057 5.489 1.00 0.00 H new ATOM 400 N ILE A 24 2.774 0.852 2.791 1.00 0.00 N ATOM 401 CA ILE A 24 3.676 1.474 1.828 1.00 0.00 C ATOM 402 C ILE A 24 4.767 2.254 2.564 1.00 0.00 C ATOM 403 O ILE A 24 5.940 2.211 2.191 1.00 0.00 O ATOM 404 CB ILE A 24 2.922 2.391 0.805 1.00 0.00 C ATOM 405 CG1 ILE A 24 2.899 3.864 1.241 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.500 1.898 0.578 1.00 0.00 C ATOM 407 CD1 ILE A 24 4.181 4.598 0.915 1.00 0.00 C ATOM 0 H ILE A 24 1.819 1.209 2.772 1.00 0.00 H new ATOM 0 HA ILE A 24 4.137 0.676 1.245 1.00 0.00 H new ATOM 0 HB ILE A 24 3.478 2.332 -0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.064 4.368 0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.720 3.916 2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.998 2.551 -0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.526 0.882 0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.957 1.907 1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.102 5.633 1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.016 4.116 1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.350 4.575 -0.162 1.00 0.00 H new ATOM 419 N GLU A 25 4.362 2.962 3.617 1.00 0.00 N ATOM 420 CA GLU A 25 5.293 3.747 4.416 1.00 0.00 C ATOM 421 C GLU A 25 6.391 2.859 4.987 1.00 0.00 C ATOM 422 O GLU A 25 7.570 3.213 4.958 1.00 0.00 O ATOM 423 CB GLU A 25 4.552 4.458 5.550 1.00 0.00 C ATOM 424 CG GLU A 25 5.335 5.611 6.159 1.00 0.00 C ATOM 425 CD GLU A 25 4.855 6.964 5.671 1.00 0.00 C ATOM 426 OE1 GLU A 25 4.657 7.118 4.448 1.00 0.00 O ATOM 427 OE2 GLU A 25 4.678 7.870 6.512 1.00 0.00 O ATOM 0 H GLU A 25 3.394 3.006 3.935 1.00 0.00 H new ATOM 0 HA GLU A 25 5.752 4.495 3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.602 4.835 5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.320 3.734 6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.250 5.570 7.245 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.392 5.496 5.917 1.00 0.00 H new ATOM 434 N ARG A 26 6.000 1.696 5.500 1.00 0.00 N ATOM 435 CA ARG A 26 6.957 0.756 6.067 1.00 0.00 C ATOM 436 C ARG A 26 8.033 0.419 5.042 1.00 0.00 C ATOM 437 O ARG A 26 9.230 0.501 5.327 1.00 0.00 O ATOM 438 CB ARG A 26 6.248 -0.522 6.522 1.00 0.00 C ATOM 439 CG ARG A 26 5.872 -0.517 7.996 1.00 0.00 C ATOM 440 CD ARG A 26 6.726 -1.490 8.791 1.00 0.00 C ATOM 441 NE ARG A 26 8.103 -1.025 8.930 1.00 0.00 N ATOM 442 CZ ARG A 26 9.109 -1.807 9.308 1.00 0.00 C ATOM 443 NH1 ARG A 26 8.891 -3.086 9.583 1.00 0.00 N ATOM 444 NH2 ARG A 26 10.335 -1.310 9.411 1.00 0.00 N ATOM 0 H ARG A 26 5.029 1.384 5.534 1.00 0.00 H new ATOM 0 HA ARG A 26 7.426 1.221 6.934 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.346 -0.659 5.926 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.894 -1.377 6.323 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.992 0.488 8.400 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.820 -0.781 8.105 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.290 -1.630 9.780 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.720 -2.463 8.299 1.00 0.00 H new ATOM 0 HE ARG A 26 8.304 -0.046 8.726 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.950 -3.471 9.505 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.665 -3.684 9.873 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.506 -0.327 9.200 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.106 -1.911 9.701 1.00 0.00 H new ATOM 458 N HIS A 27 7.597 0.053 3.841 1.00 0.00 N ATOM 459 CA HIS A 27 8.522 -0.281 2.769 1.00 0.00 C ATOM 460 C HIS A 27 9.367 0.933 2.400 1.00 0.00 C ATOM 461 O HIS A 27 10.479 0.795 1.891 1.00 0.00 O ATOM 462 CB HIS A 27 7.758 -0.780 1.541 1.00 0.00 C ATOM 463 CG HIS A 27 7.406 -2.234 1.606 1.00 0.00 C ATOM 464 ND1 HIS A 27 8.319 -3.242 1.372 1.00 0.00 N ATOM 465 CD2 HIS A 27 6.232 -2.850 1.882 1.00 0.00 C ATOM 466 CE1 HIS A 27 7.721 -4.413 1.500 1.00 0.00 C ATOM 467 NE2 HIS A 27 6.456 -4.203 1.809 1.00 0.00 N ATOM 0 H HIS A 27 6.611 -0.019 3.588 1.00 0.00 H new ATOM 0 HA HIS A 27 9.181 -1.075 3.118 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.843 -0.198 1.431 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.360 -0.600 0.650 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.295 -2.367 2.116 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.188 -5.378 1.373 1.00 0.00 H new ATOM 0 HE2 HIS A 27 5.757 -4.928 1.968 1.00 0.00 H new ATOM 476 N LYS A 28 8.831 2.122 2.663 1.00 0.00 N ATOM 477 CA LYS A 28 9.532 3.364 2.363 1.00 0.00 C ATOM 478 C LYS A 28 10.660 3.607 3.357 1.00 0.00 C ATOM 479 O LYS A 28 11.655 4.256 3.034 1.00 0.00 O ATOM 480 CB LYS A 28 8.557 4.543 2.383 1.00 0.00 C ATOM 481 CG LYS A 28 9.214 5.880 2.080 1.00 0.00 C ATOM 482 CD LYS A 28 8.261 7.038 2.333 1.00 0.00 C ATOM 483 CE LYS A 28 8.668 7.837 3.561 1.00 0.00 C ATOM 484 NZ LYS A 28 7.880 9.093 3.694 1.00 0.00 N ATOM 0 H LYS A 28 7.911 2.250 3.084 1.00 0.00 H new ATOM 0 HA LYS A 28 9.964 3.275 1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.766 4.363 1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.082 4.595 3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.104 5.998 2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.543 5.898 1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.243 7.692 1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.249 6.655 2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.530 7.226 4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.729 8.079 3.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.188 9.608 4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.031 9.688 2.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.869 8.862 3.777 1.00 0.00 H new ATOM 498 N GLN A 29 10.501 3.080 4.565 1.00 0.00 N ATOM 499 CA GLN A 29 11.511 3.240 5.603 1.00 0.00 C ATOM 500 C GLN A 29 12.688 2.305 5.355 1.00 0.00 C ATOM 501 O GLN A 29 13.839 2.655 5.615 1.00 0.00 O ATOM 502 CB GLN A 29 10.907 2.970 6.983 1.00 0.00 C ATOM 503 CG GLN A 29 11.763 3.480 8.131 1.00 0.00 C ATOM 504 CD GLN A 29 11.185 4.723 8.780 1.00 0.00 C ATOM 505 OE1 GLN A 29 10.562 4.652 9.838 1.00 0.00 O ATOM 506 NE2 GLN A 29 11.391 5.871 8.145 1.00 0.00 N ATOM 0 H GLN A 29 9.684 2.539 4.849 1.00 0.00 H new ATOM 0 HA GLN A 29 11.871 4.268 5.573 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.924 3.437 7.038 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.757 1.897 7.101 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.863 2.696 8.881 1.00 0.00 H new ATOM 0 HG3 GLN A 29 12.765 3.699 7.763 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.914 5.883 7.269 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.026 6.741 8.533 1.00 0.00 H new ATOM 515 N SER A 30 12.391 1.113 4.848 1.00 0.00 N ATOM 516 CA SER A 30 13.427 0.128 4.562 1.00 0.00 C ATOM 517 C SER A 30 14.237 0.531 3.333 1.00 0.00 C ATOM 518 O SER A 30 15.458 0.376 3.304 1.00 0.00 O ATOM 519 CB SER A 30 12.803 -1.252 4.346 1.00 0.00 C ATOM 520 OG SER A 30 13.747 -2.160 3.803 1.00 0.00 O ATOM 0 H SER A 30 11.444 0.806 4.627 1.00 0.00 H new ATOM 0 HA SER A 30 14.099 0.085 5.419 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.427 -1.637 5.294 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.948 -1.167 3.675 1.00 0.00 H new ATOM 0 HG SER A 30 13.324 -3.035 3.676 1.00 0.00 H new ATOM 526 N ILE A 31 13.549 1.043 2.318 1.00 0.00 N ATOM 527 CA ILE A 31 14.201 1.466 1.083 1.00 0.00 C ATOM 528 C ILE A 31 14.945 2.784 1.276 1.00 0.00 C ATOM 529 O ILE A 31 15.969 3.027 0.637 1.00 0.00 O ATOM 530 CB ILE A 31 13.170 1.607 -0.059 1.00 0.00 C ATOM 531 CG1 ILE A 31 13.811 2.154 -1.336 1.00 0.00 C ATOM 532 CG2 ILE A 31 12.023 2.507 0.370 1.00 0.00 C ATOM 533 CD1 ILE A 31 14.584 1.118 -2.115 1.00 0.00 C ATOM 0 H ILE A 31 12.538 1.175 2.326 1.00 0.00 H new ATOM 0 HA ILE A 31 14.925 0.697 0.813 1.00 0.00 H new ATOM 0 HB ILE A 31 12.785 0.611 -0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 31 13.032 2.570 -1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.480 2.974 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.306 2.596 -0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.530 2.077 1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.410 3.494 0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.010 1.577 -3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.386 0.719 -1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 31 13.915 0.309 -2.408 1.00 0.00 H new ATOM 545 N LYS A 32 14.430 3.628 2.160 1.00 0.00 N ATOM 546 CA LYS A 32 15.055 4.916 2.431 1.00 0.00 C ATOM 547 C LYS A 32 16.202 4.767 3.426 1.00 0.00 C ATOM 548 O LYS A 32 17.109 5.599 3.470 1.00 0.00 O ATOM 549 CB LYS A 32 14.021 5.905 2.972 1.00 0.00 C ATOM 550 CG LYS A 32 14.541 7.329 3.082 1.00 0.00 C ATOM 551 CD LYS A 32 13.757 8.278 2.190 1.00 0.00 C ATOM 552 CE LYS A 32 14.441 8.471 0.845 1.00 0.00 C ATOM 553 NZ LYS A 32 13.726 9.465 -0.003 1.00 0.00 N ATOM 0 H LYS A 32 13.584 3.445 2.700 1.00 0.00 H new ATOM 0 HA LYS A 32 15.459 5.299 1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 32 13.146 5.896 2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.690 5.571 3.955 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.475 7.663 4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.595 7.355 2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.752 7.887 2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.651 9.242 2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.468 8.801 1.004 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.490 7.516 0.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.223 9.568 -0.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.754 9.138 -0.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.701 10.383 0.485 1.00 0.00 H new ATOM 567 N LYS A 33 16.155 3.707 4.227 1.00 0.00 N ATOM 568 CA LYS A 33 17.189 3.459 5.222 1.00 0.00 C ATOM 569 C LYS A 33 18.383 2.732 4.614 1.00 0.00 C ATOM 570 O LYS A 33 19.521 2.931 5.040 1.00 0.00 O ATOM 571 CB LYS A 33 16.625 2.647 6.388 1.00 0.00 C ATOM 572 CG LYS A 33 17.658 2.312 7.451 1.00 0.00 C ATOM 573 CD LYS A 33 17.020 1.648 8.661 1.00 0.00 C ATOM 574 CE LYS A 33 17.949 1.678 9.864 1.00 0.00 C ATOM 575 NZ LYS A 33 17.673 0.558 10.806 1.00 0.00 N ATOM 0 H LYS A 33 15.413 3.008 4.206 1.00 0.00 H new ATOM 0 HA LYS A 33 17.530 4.426 5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.810 3.206 6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.199 1.721 6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.414 1.650 7.029 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.169 3.223 7.762 1.00 0.00 H new ATOM 0 HD2 LYS A 33 16.087 2.156 8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 33 16.767 0.615 8.420 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.984 1.621 9.525 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.836 2.628 10.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.327 0.614 11.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.694 0.626 11.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.805 -0.349 10.315 1.00 0.00 H new ATOM 589 N LEU A 34 18.128 1.893 3.614 1.00 0.00 N ATOM 590 CA LEU A 34 19.199 1.157 2.963 1.00 0.00 C ATOM 591 C LEU A 34 19.806 1.988 1.840 1.00 0.00 C ATOM 592 O LEU A 34 20.977 1.831 1.499 1.00 0.00 O ATOM 593 CB LEU A 34 18.682 -0.173 2.418 1.00 0.00 C ATOM 594 CG LEU A 34 18.154 -1.146 3.473 1.00 0.00 C ATOM 595 CD1 LEU A 34 17.066 -2.030 2.887 1.00 0.00 C ATOM 596 CD2 LEU A 34 19.289 -1.994 4.028 1.00 0.00 C ATOM 0 H LEU A 34 17.196 1.709 3.242 1.00 0.00 H new ATOM 0 HA LEU A 34 19.973 0.950 3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.885 0.031 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.487 -0.660 1.868 1.00 0.00 H new ATOM 0 HG LEU A 34 17.723 -0.568 4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 34 16.703 -2.716 3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 34 16.242 -1.409 2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 34 17.472 -2.601 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.897 -2.681 4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.748 -2.563 3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 34 20.037 -1.346 4.486 1.00 0.00 H new ATOM 608 N LYS A 35 18.999 2.883 1.278 1.00 0.00 N ATOM 609 CA LYS A 35 19.457 3.750 0.203 1.00 0.00 C ATOM 610 C LYS A 35 20.173 4.968 0.772 1.00 0.00 C ATOM 611 O LYS A 35 21.071 5.526 0.141 1.00 0.00 O ATOM 612 CB LYS A 35 18.277 4.193 -0.665 1.00 0.00 C ATOM 613 CG LYS A 35 18.695 4.798 -1.995 1.00 0.00 C ATOM 614 CD LYS A 35 18.542 6.310 -1.990 1.00 0.00 C ATOM 615 CE LYS A 35 19.871 7.004 -1.742 1.00 0.00 C ATOM 616 NZ LYS A 35 19.995 8.265 -2.523 1.00 0.00 N ATOM 0 H LYS A 35 18.026 3.025 1.550 1.00 0.00 H new ATOM 0 HA LYS A 35 20.157 3.189 -0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.632 3.335 -0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 35 17.684 4.923 -0.113 1.00 0.00 H new ATOM 0 HG2 LYS A 35 19.732 4.537 -2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 35 18.090 4.372 -2.796 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.132 6.638 -2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 35 17.829 6.602 -1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.972 7.224 -0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.687 6.331 -2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.915 8.707 -2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 19.924 8.053 -3.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.232 8.918 -2.252 1.00 0.00 H new ATOM 630 N GLN A 36 19.776 5.373 1.976 1.00 0.00 N ATOM 631 CA GLN A 36 20.387 6.522 2.633 1.00 0.00 C ATOM 632 C GLN A 36 21.632 6.097 3.403 1.00 0.00 C ATOM 633 O GLN A 36 22.578 6.871 3.551 1.00 0.00 O ATOM 634 CB GLN A 36 19.387 7.188 3.580 1.00 0.00 C ATOM 635 CG GLN A 36 19.988 8.314 4.405 1.00 0.00 C ATOM 636 CD GLN A 36 20.615 9.395 3.547 1.00 0.00 C ATOM 637 OE1 GLN A 36 21.555 9.140 2.794 1.00 0.00 O ATOM 638 NE2 GLN A 36 20.095 10.613 3.656 1.00 0.00 N ATOM 0 H GLN A 36 19.036 4.923 2.514 1.00 0.00 H new ATOM 0 HA GLN A 36 20.678 7.241 1.867 1.00 0.00 H new ATOM 0 HB2 GLN A 36 18.554 7.580 2.997 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.979 6.434 4.253 1.00 0.00 H new ATOM 0 HG2 GLN A 36 19.212 8.756 5.030 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.743 7.905 5.076 1.00 0.00 H new ATOM 0 HE21 GLN A 36 19.316 10.780 4.293 1.00 0.00 H new ATOM 0 HE22 GLN A 36 20.475 11.381 3.103 1.00 0.00 H new ATOM 647 N SER A 37 21.625 4.859 3.885 1.00 0.00 N ATOM 648 CA SER A 37 22.756 4.327 4.635 1.00 0.00 C ATOM 649 C SER A 37 23.801 3.742 3.692 1.00 0.00 C ATOM 650 O SER A 37 24.984 3.671 4.027 1.00 0.00 O ATOM 651 CB SER A 37 22.284 3.255 5.621 1.00 0.00 C ATOM 652 OG SER A 37 21.285 3.764 6.490 1.00 0.00 O ATOM 0 H SER A 37 20.850 4.206 3.770 1.00 0.00 H new ATOM 0 HA SER A 37 23.210 5.146 5.192 1.00 0.00 H new ATOM 0 HB2 SER A 37 21.891 2.399 5.072 1.00 0.00 H new ATOM 0 HB3 SER A 37 23.131 2.897 6.206 1.00 0.00 H new ATOM 0 HG SER A 37 20.440 3.852 6.001 1.00 0.00 H new ATOM 658 N GLU A 38 23.359 3.329 2.507 1.00 0.00 N ATOM 659 CA GLU A 38 24.261 2.755 1.515 1.00 0.00 C ATOM 660 C GLU A 38 24.868 3.849 0.641 1.00 0.00 C ATOM 661 O GLU A 38 25.946 3.674 0.072 1.00 0.00 O ATOM 662 CB GLU A 38 23.518 1.741 0.643 1.00 0.00 C ATOM 663 CG GLU A 38 24.429 0.959 -0.290 1.00 0.00 C ATOM 664 CD GLU A 38 24.186 1.287 -1.750 1.00 0.00 C ATOM 665 OE1 GLU A 38 23.082 1.773 -2.074 1.00 0.00 O ATOM 666 OE2 GLU A 38 25.100 1.059 -2.570 1.00 0.00 O ATOM 0 H GLU A 38 22.384 3.381 2.212 1.00 0.00 H new ATOM 0 HA GLU A 38 25.067 2.244 2.043 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.985 1.042 1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 38 22.768 2.264 0.051 1.00 0.00 H new ATOM 0 HG2 GLU A 38 25.468 1.173 -0.041 1.00 0.00 H new ATOM 0 HG3 GLU A 38 24.277 -0.108 -0.131 1.00 0.00 H new ATOM 673 N ASP A 39 24.171 4.979 0.542 1.00 0.00 N ATOM 674 CA ASP A 39 24.647 6.099 -0.260 1.00 0.00 C ATOM 675 C ASP A 39 25.540 7.018 0.569 1.00 0.00 C ATOM 676 O ASP A 39 26.394 7.720 0.029 1.00 0.00 O ATOM 677 CB ASP A 39 23.462 6.889 -0.822 1.00 0.00 C ATOM 678 CG ASP A 39 23.897 8.134 -1.572 1.00 0.00 C ATOM 679 OD1 ASP A 39 24.249 9.133 -0.910 1.00 0.00 O ATOM 680 OD2 ASP A 39 23.885 8.110 -2.820 1.00 0.00 O ATOM 0 H ASP A 39 23.277 5.141 1.006 1.00 0.00 H new ATOM 0 HA ASP A 39 25.234 5.701 -1.087 1.00 0.00 H new ATOM 0 HB2 ASP A 39 22.887 6.248 -1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 39 22.799 7.174 -0.005 1.00 0.00 H new ATOM 685 N ASP A 40 25.336 7.007 1.882 1.00 0.00 N ATOM 686 CA ASP A 40 26.123 7.839 2.785 1.00 0.00 C ATOM 687 C ASP A 40 26.424 7.099 4.084 1.00 0.00 C ATOM 688 O ASP A 40 26.159 7.606 5.174 1.00 0.00 O ATOM 689 CB ASP A 40 25.383 9.143 3.085 1.00 0.00 C ATOM 690 CG ASP A 40 26.321 10.257 3.508 1.00 0.00 C ATOM 691 OD1 ASP A 40 26.889 10.166 4.616 1.00 0.00 O ATOM 692 OD2 ASP A 40 26.487 11.220 2.730 1.00 0.00 O ATOM 0 H ASP A 40 24.632 6.431 2.345 1.00 0.00 H new ATOM 0 HA ASP A 40 27.068 8.071 2.294 1.00 0.00 H new ATOM 0 HB2 ASP A 40 24.829 9.455 2.200 1.00 0.00 H new ATOM 0 HB3 ASP A 40 24.651 8.969 3.874 1.00 0.00 H new ATOM 697 N ASP A 41 26.978 5.899 3.959 1.00 0.00 N ATOM 698 CA ASP A 41 27.316 5.088 5.124 1.00 0.00 C ATOM 699 C ASP A 41 28.498 5.686 5.879 1.00 0.00 C ATOM 700 O ASP A 41 29.544 5.932 5.243 1.00 0.00 O ATOM 701 CB ASP A 41 27.641 3.656 4.697 1.00 0.00 C ATOM 702 CG ASP A 41 27.103 2.626 5.672 1.00 0.00 C ATOM 703 OD1 ASP A 41 26.121 2.936 6.380 1.00 0.00 O ATOM 704 OD2 ASP A 41 27.663 1.512 5.728 1.00 0.00 O ATOM 705 OXT ASP A 41 28.368 5.906 7.102 1.00 0.00 O ATOM 0 H ASP A 41 27.203 5.466 3.064 1.00 0.00 H new ATOM 0 HA ASP A 41 26.453 5.075 5.789 1.00 0.00 H new ATOM 0 HB2 ASP A 41 27.221 3.470 3.708 1.00 0.00 H new ATOM 0 HB3 ASP A 41 28.722 3.542 4.611 1.00 0.00 H new TER 710 ASP A 41 ATOM 711 N ALA B 1 32.355 -1.261 -6.600 1.00 0.00 N ATOM 712 CA ALA B 1 30.919 -1.643 -6.628 1.00 0.00 C ATOM 713 C ALA B 1 30.719 -3.066 -6.120 1.00 0.00 C ATOM 714 O ALA B 1 30.085 -3.888 -6.781 1.00 0.00 O ATOM 715 CB ALA B 1 30.360 -1.502 -8.035 1.00 0.00 C ATOM 0 H1 ALA B 1 32.462 -0.288 -6.951 1.00 0.00 H new ATOM 0 H2 ALA B 1 32.711 -1.318 -5.624 1.00 0.00 H new ATOM 0 H3 ALA B 1 32.898 -1.909 -7.205 1.00 0.00 H new ATOM 0 HA ALA B 1 30.378 -0.968 -5.965 1.00 0.00 H new ATOM 0 HB1 ALA B 1 29.308 -1.786 -8.038 1.00 0.00 H new ATOM 0 HB2 ALA B 1 30.458 -0.467 -8.364 1.00 0.00 H new ATOM 0 HB3 ALA B 1 30.913 -2.152 -8.713 1.00 0.00 H new ATOM 723 N LEU B 2 31.260 -3.348 -4.939 1.00 0.00 N ATOM 724 CA LEU B 2 31.135 -4.671 -4.339 1.00 0.00 C ATOM 725 C LEU B 2 29.777 -4.819 -3.659 1.00 0.00 C ATOM 726 O LEU B 2 28.921 -3.944 -3.771 1.00 0.00 O ATOM 727 CB LEU B 2 32.260 -4.902 -3.326 1.00 0.00 C ATOM 728 CG LEU B 2 33.528 -5.540 -3.900 1.00 0.00 C ATOM 729 CD1 LEU B 2 34.713 -4.598 -3.748 1.00 0.00 C ATOM 730 CD2 LEU B 2 33.812 -6.870 -3.219 1.00 0.00 C ATOM 0 H LEU B 2 31.788 -2.679 -4.379 1.00 0.00 H new ATOM 0 HA LEU B 2 31.214 -5.419 -5.128 1.00 0.00 H new ATOM 0 HB2 LEU B 2 32.525 -3.945 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU B 2 31.882 -5.538 -2.525 1.00 0.00 H new ATOM 0 HG LEU B 2 33.370 -5.726 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU B 2 35.606 -5.067 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU B 2 34.511 -3.670 -4.282 1.00 0.00 H new ATOM 0 HD13 LEU B 2 34.873 -4.381 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU B 2 34.717 -7.308 -3.640 1.00 0.00 H new ATOM 0 HD22 LEU B 2 33.950 -6.709 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU B 2 32.973 -7.547 -3.378 1.00 0.00 H new ATOM 742 N LYS B 3 29.584 -5.930 -2.955 1.00 0.00 N ATOM 743 CA LYS B 3 28.325 -6.190 -2.256 1.00 0.00 C ATOM 744 C LYS B 3 27.119 -5.826 -3.122 1.00 0.00 C ATOM 745 O LYS B 3 26.490 -4.787 -2.924 1.00 0.00 O ATOM 746 CB LYS B 3 28.277 -5.410 -0.939 1.00 0.00 C ATOM 747 CG LYS B 3 27.965 -6.279 0.268 1.00 0.00 C ATOM 748 CD LYS B 3 29.222 -6.612 1.055 1.00 0.00 C ATOM 749 CE LYS B 3 29.052 -7.888 1.862 1.00 0.00 C ATOM 750 NZ LYS B 3 30.362 -8.520 2.183 1.00 0.00 N ATOM 0 H LYS B 3 30.282 -6.666 -2.852 1.00 0.00 H new ATOM 0 HA LYS B 3 28.279 -7.258 -2.043 1.00 0.00 H new ATOM 0 HB2 LYS B 3 29.236 -4.916 -0.783 1.00 0.00 H new ATOM 0 HB3 LYS B 3 27.524 -4.626 -1.017 1.00 0.00 H new ATOM 0 HG2 LYS B 3 27.255 -5.763 0.915 1.00 0.00 H new ATOM 0 HG3 LYS B 3 27.485 -7.201 -0.060 1.00 0.00 H new ATOM 0 HD2 LYS B 3 30.063 -6.723 0.370 1.00 0.00 H new ATOM 0 HD3 LYS B 3 29.463 -5.786 1.724 1.00 0.00 H new ATOM 0 HE2 LYS B 3 28.520 -7.665 2.787 1.00 0.00 H new ATOM 0 HE3 LYS B 3 28.436 -8.592 1.302 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 30.203 -9.388 2.734 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 30.859 -8.757 1.301 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 30.940 -7.858 2.739 1.00 0.00 H new ATOM 764 N LYS B 4 26.804 -6.688 -4.081 1.00 0.00 N ATOM 765 CA LYS B 4 25.676 -6.456 -4.973 1.00 0.00 C ATOM 766 C LYS B 4 24.421 -7.157 -4.461 1.00 0.00 C ATOM 767 O LYS B 4 23.503 -7.446 -5.228 1.00 0.00 O ATOM 768 CB LYS B 4 26.006 -6.943 -6.385 1.00 0.00 C ATOM 769 CG LYS B 4 26.268 -8.437 -6.467 1.00 0.00 C ATOM 770 CD LYS B 4 25.014 -9.201 -6.859 1.00 0.00 C ATOM 771 CE LYS B 4 25.353 -10.552 -7.467 1.00 0.00 C ATOM 772 NZ LYS B 4 24.132 -11.293 -7.887 1.00 0.00 N ATOM 0 H LYS B 4 27.314 -7.553 -4.260 1.00 0.00 H new ATOM 0 HA LYS B 4 25.484 -5.383 -5.001 1.00 0.00 H new ATOM 0 HB2 LYS B 4 25.180 -6.690 -7.050 1.00 0.00 H new ATOM 0 HB3 LYS B 4 26.883 -6.408 -6.749 1.00 0.00 H new ATOM 0 HG2 LYS B 4 27.056 -8.630 -7.195 1.00 0.00 H new ATOM 0 HG3 LYS B 4 26.629 -8.798 -5.504 1.00 0.00 H new ATOM 0 HD2 LYS B 4 24.384 -9.344 -5.981 1.00 0.00 H new ATOM 0 HD3 LYS B 4 24.437 -8.614 -7.573 1.00 0.00 H new ATOM 0 HE2 LYS B 4 26.005 -10.409 -8.328 1.00 0.00 H new ATOM 0 HE3 LYS B 4 25.908 -11.148 -6.742 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 24.406 -12.209 -8.297 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 23.521 -11.452 -7.061 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 23.615 -10.736 -8.598 1.00 0.00 H new ATOM 786 N HIS B 5 24.387 -7.423 -3.158 1.00 0.00 N ATOM 787 CA HIS B 5 23.242 -8.085 -2.544 1.00 0.00 C ATOM 788 C HIS B 5 22.363 -7.073 -1.821 1.00 0.00 C ATOM 789 O HIS B 5 21.144 -7.231 -1.747 1.00 0.00 O ATOM 790 CB HIS B 5 23.709 -9.165 -1.562 1.00 0.00 C ATOM 791 CG HIS B 5 24.967 -9.860 -1.982 1.00 0.00 C ATOM 792 ND1 HIS B 5 25.309 -10.067 -3.303 1.00 0.00 N ATOM 793 CD2 HIS B 5 25.971 -10.396 -1.247 1.00 0.00 C ATOM 794 CE1 HIS B 5 26.467 -10.701 -3.361 1.00 0.00 C ATOM 795 NE2 HIS B 5 26.889 -10.911 -2.129 1.00 0.00 N ATOM 0 H HIS B 5 25.138 -7.190 -2.509 1.00 0.00 H new ATOM 0 HA HIS B 5 22.658 -8.556 -3.335 1.00 0.00 H new ATOM 0 HB2 HIS B 5 23.865 -8.710 -0.584 1.00 0.00 H new ATOM 0 HB3 HIS B 5 22.917 -9.905 -1.447 1.00 0.00 H new ATOM 0 HD2 HIS B 5 26.037 -10.415 -0.169 1.00 0.00 H new ATOM 0 HE1 HIS B 5 26.981 -10.997 -4.264 1.00 0.00 H new ATOM 0 HE2 HIS B 5 27.758 -11.380 -1.873 1.00 0.00 H new ATOM 804 N HIS B 6 22.993 -6.030 -1.289 1.00 0.00 N ATOM 805 CA HIS B 6 22.274 -4.986 -0.571 1.00 0.00 C ATOM 806 C HIS B 6 21.509 -4.089 -1.536 1.00 0.00 C ATOM 807 O HIS B 6 20.381 -3.687 -1.260 1.00 0.00 O ATOM 808 CB HIS B 6 23.246 -4.148 0.262 1.00 0.00 C ATOM 809 CG HIS B 6 23.483 -4.696 1.634 1.00 0.00 C ATOM 810 ND1 HIS B 6 23.541 -6.047 1.907 1.00 0.00 N ATOM 811 CD2 HIS B 6 23.680 -4.067 2.818 1.00 0.00 C ATOM 812 CE1 HIS B 6 23.761 -6.226 3.197 1.00 0.00 C ATOM 813 NE2 HIS B 6 23.850 -5.040 3.772 1.00 0.00 N ATOM 0 H HIS B 6 24.001 -5.886 -1.342 1.00 0.00 H new ATOM 0 HA HIS B 6 21.557 -5.466 0.095 1.00 0.00 H new ATOM 0 HB2 HIS B 6 24.199 -4.082 -0.264 1.00 0.00 H new ATOM 0 HB3 HIS B 6 22.858 -3.133 0.347 1.00 0.00 H new ATOM 0 HD2 HIS B 6 23.700 -3.000 2.981 1.00 0.00 H new ATOM 0 HE1 HIS B 6 23.853 -7.179 3.696 1.00 0.00 H new ATOM 0 HE2 HIS B 6 24.018 -4.874 4.764 1.00 0.00 H new ATOM 822 N GLU B 7 22.128 -3.777 -2.670 1.00 0.00 N ATOM 823 CA GLU B 7 21.496 -2.925 -3.672 1.00 0.00 C ATOM 824 C GLU B 7 20.313 -3.636 -4.317 1.00 0.00 C ATOM 825 O GLU B 7 19.323 -3.005 -4.687 1.00 0.00 O ATOM 826 CB GLU B 7 22.509 -2.514 -4.741 1.00 0.00 C ATOM 827 CG GLU B 7 23.822 -2.004 -4.171 1.00 0.00 C ATOM 828 CD GLU B 7 25.031 -2.625 -4.844 1.00 0.00 C ATOM 829 OE1 GLU B 7 24.857 -3.263 -5.903 1.00 0.00 O ATOM 830 OE2 GLU B 7 26.150 -2.472 -4.311 1.00 0.00 O ATOM 0 H GLU B 7 23.063 -4.100 -2.918 1.00 0.00 H new ATOM 0 HA GLU B 7 21.130 -2.028 -3.172 1.00 0.00 H new ATOM 0 HB2 GLU B 7 22.710 -3.369 -5.386 1.00 0.00 H new ATOM 0 HB3 GLU B 7 22.069 -1.738 -5.368 1.00 0.00 H new ATOM 0 HG2 GLU B 7 23.866 -0.921 -4.282 1.00 0.00 H new ATOM 0 HG3 GLU B 7 23.857 -2.216 -3.102 1.00 0.00 H new ATOM 837 N ASN B 8 20.419 -4.953 -4.443 1.00 0.00 N ATOM 838 CA ASN B 8 19.350 -5.748 -5.035 1.00 0.00 C ATOM 839 C ASN B 8 18.135 -5.769 -4.117 1.00 0.00 C ATOM 840 O ASN B 8 16.998 -5.615 -4.566 1.00 0.00 O ATOM 841 CB ASN B 8 19.832 -7.175 -5.300 1.00 0.00 C ATOM 842 CG ASN B 8 20.010 -7.462 -6.778 1.00 0.00 C ATOM 843 OD1 ASN B 8 19.635 -6.654 -7.628 1.00 0.00 O ATOM 844 ND2 ASN B 8 20.586 -8.616 -7.092 1.00 0.00 N ATOM 0 H ASN B 8 21.232 -5.492 -4.144 1.00 0.00 H new ATOM 0 HA ASN B 8 19.065 -5.292 -5.983 1.00 0.00 H new ATOM 0 HB2 ASN B 8 20.779 -7.337 -4.785 1.00 0.00 H new ATOM 0 HB3 ASN B 8 19.116 -7.881 -4.880 1.00 0.00 H new ATOM 0 HD21 ASN B 8 20.733 -8.863 -8.071 1.00 0.00 H new ATOM 0 HD22 ASN B 8 20.881 -9.256 -6.355 1.00 0.00 H new ATOM 851 N GLU B 9 18.385 -5.955 -2.825 1.00 0.00 N ATOM 852 CA GLU B 9 17.314 -5.991 -1.839 1.00 0.00 C ATOM 853 C GLU B 9 16.558 -4.672 -1.817 1.00 0.00 C ATOM 854 O GLU B 9 15.327 -4.655 -1.821 1.00 0.00 O ATOM 855 CB GLU B 9 17.876 -6.300 -0.450 1.00 0.00 C ATOM 856 CG GLU B 9 16.816 -6.725 0.553 1.00 0.00 C ATOM 857 CD GLU B 9 17.228 -6.449 1.987 1.00 0.00 C ATOM 858 OE1 GLU B 9 18.365 -5.976 2.198 1.00 0.00 O ATOM 859 OE2 GLU B 9 16.414 -6.708 2.898 1.00 0.00 O ATOM 0 H GLU B 9 19.320 -6.083 -2.438 1.00 0.00 H new ATOM 0 HA GLU B 9 16.619 -6.783 -2.120 1.00 0.00 H new ATOM 0 HB2 GLU B 9 18.621 -7.091 -0.536 1.00 0.00 H new ATOM 0 HB3 GLU B 9 18.391 -5.417 -0.071 1.00 0.00 H new ATOM 0 HG2 GLU B 9 15.886 -6.199 0.338 1.00 0.00 H new ATOM 0 HG3 GLU B 9 16.615 -7.790 0.435 1.00 0.00 H new ATOM 866 N ILE B 10 17.293 -3.564 -1.804 1.00 0.00 N ATOM 867 CA ILE B 10 16.660 -2.257 -1.795 1.00 0.00 C ATOM 868 C ILE B 10 15.962 -2.003 -3.121 1.00 0.00 C ATOM 869 O ILE B 10 14.981 -1.273 -3.184 1.00 0.00 O ATOM 870 CB ILE B 10 17.663 -1.125 -1.507 1.00 0.00 C ATOM 871 CG1 ILE B 10 18.651 -0.956 -2.658 1.00 0.00 C ATOM 872 CG2 ILE B 10 18.406 -1.399 -0.212 1.00 0.00 C ATOM 873 CD1 ILE B 10 19.681 0.122 -2.398 1.00 0.00 C ATOM 0 H ILE B 10 18.313 -3.547 -1.800 1.00 0.00 H new ATOM 0 HA ILE B 10 15.927 -2.260 -0.988 1.00 0.00 H new ATOM 0 HB ILE B 10 17.103 -0.196 -1.405 1.00 0.00 H new ATOM 0 HG12 ILE B 10 19.161 -1.903 -2.834 1.00 0.00 H new ATOM 0 HG13 ILE B 10 18.102 -0.715 -3.568 1.00 0.00 H new ATOM 0 HG21 ILE B 10 19.112 -0.591 -0.020 1.00 0.00 H new ATOM 0 HG22 ILE B 10 17.693 -1.461 0.610 1.00 0.00 H new ATOM 0 HG23 ILE B 10 18.947 -2.342 -0.295 1.00 0.00 H new ATOM 0 HD11 ILE B 10 20.355 0.195 -3.252 1.00 0.00 H new ATOM 0 HD12 ILE B 10 19.178 1.078 -2.250 1.00 0.00 H new ATOM 0 HD13 ILE B 10 20.253 -0.129 -1.505 1.00 0.00 H new ATOM 885 N SER B 11 16.460 -2.633 -4.178 1.00 0.00 N ATOM 886 CA SER B 11 15.854 -2.486 -5.493 1.00 0.00 C ATOM 887 C SER B 11 14.404 -2.950 -5.440 1.00 0.00 C ATOM 888 O SER B 11 13.505 -2.297 -5.979 1.00 0.00 O ATOM 889 CB SER B 11 16.629 -3.294 -6.535 1.00 0.00 C ATOM 890 OG SER B 11 17.108 -2.459 -7.575 1.00 0.00 O ATOM 0 H SER B 11 17.275 -3.245 -4.150 1.00 0.00 H new ATOM 0 HA SER B 11 15.886 -1.436 -5.782 1.00 0.00 H new ATOM 0 HB2 SER B 11 17.467 -3.801 -6.057 1.00 0.00 H new ATOM 0 HB3 SER B 11 15.985 -4.067 -6.953 1.00 0.00 H new ATOM 0 HG SER B 11 17.601 -2.999 -8.227 1.00 0.00 H new ATOM 896 N HIS B 12 14.180 -4.074 -4.764 1.00 0.00 N ATOM 897 CA HIS B 12 12.839 -4.616 -4.620 1.00 0.00 C ATOM 898 C HIS B 12 12.005 -3.689 -3.729 1.00 0.00 C ATOM 899 O HIS B 12 10.827 -3.454 -3.995 1.00 0.00 O ATOM 900 CB HIS B 12 12.917 -6.061 -4.071 1.00 0.00 C ATOM 901 CG HIS B 12 11.959 -6.393 -2.962 1.00 0.00 C ATOM 902 ND1 HIS B 12 10.684 -6.871 -3.180 1.00 0.00 N ATOM 903 CD2 HIS B 12 12.106 -6.310 -1.621 1.00 0.00 C ATOM 904 CE1 HIS B 12 10.087 -7.067 -2.018 1.00 0.00 C ATOM 905 NE2 HIS B 12 10.928 -6.735 -1.056 1.00 0.00 N ATOM 0 H HIS B 12 14.910 -4.623 -4.310 1.00 0.00 H new ATOM 0 HA HIS B 12 12.343 -4.667 -5.589 1.00 0.00 H new ATOM 0 HB2 HIS B 12 12.742 -6.752 -4.895 1.00 0.00 H new ATOM 0 HB3 HIS B 12 13.931 -6.240 -3.715 1.00 0.00 H new ATOM 0 HD2 HIS B 12 12.985 -5.973 -1.092 1.00 0.00 H new ATOM 0 HE1 HIS B 12 9.082 -7.436 -1.879 1.00 0.00 H new ATOM 0 HE2 HIS B 12 10.735 -6.786 -0.056 1.00 0.00 H new ATOM 914 N HIS B 13 12.631 -3.156 -2.681 1.00 0.00 N ATOM 915 CA HIS B 13 11.944 -2.247 -1.770 1.00 0.00 C ATOM 916 C HIS B 13 11.485 -0.998 -2.510 1.00 0.00 C ATOM 917 O HIS B 13 10.522 -0.350 -2.109 1.00 0.00 O ATOM 918 CB HIS B 13 12.853 -1.838 -0.612 1.00 0.00 C ATOM 919 CG HIS B 13 13.413 -2.986 0.162 1.00 0.00 C ATOM 920 ND1 HIS B 13 12.757 -4.188 0.325 1.00 0.00 N ATOM 921 CD2 HIS B 13 14.579 -3.100 0.834 1.00 0.00 C ATOM 922 CE1 HIS B 13 13.498 -4.993 1.068 1.00 0.00 C ATOM 923 NE2 HIS B 13 14.609 -4.356 1.388 1.00 0.00 N ATOM 0 H HIS B 13 13.606 -3.337 -2.444 1.00 0.00 H new ATOM 0 HA HIS B 13 11.078 -2.774 -1.370 1.00 0.00 H new ATOM 0 HB2 HIS B 13 13.677 -1.243 -1.005 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.291 -1.196 0.067 1.00 0.00 H new ATOM 0 HD2 HIS B 13 15.345 -2.344 0.920 1.00 0.00 H new ATOM 0 HE1 HIS B 13 13.239 -5.999 1.362 1.00 0.00 H new ATOM 0 HE2 HIS B 13 15.367 -4.735 1.955 1.00 0.00 H new ATOM 932 N ALA B 14 12.180 -0.668 -3.594 1.00 0.00 N ATOM 933 CA ALA B 14 11.837 0.499 -4.392 1.00 0.00 C ATOM 934 C ALA B 14 10.542 0.245 -5.141 1.00 0.00 C ATOM 935 O ALA B 14 9.584 1.008 -5.029 1.00 0.00 O ATOM 936 CB ALA B 14 12.961 0.836 -5.360 1.00 0.00 C ATOM 0 H ALA B 14 12.984 -1.194 -3.938 1.00 0.00 H new ATOM 0 HA ALA B 14 11.699 1.353 -3.729 1.00 0.00 H new ATOM 0 HB1 ALA B 14 12.685 1.712 -5.948 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.872 1.047 -4.800 1.00 0.00 H new ATOM 0 HB3 ALA B 14 13.132 -0.009 -6.027 1.00 0.00 H new ATOM 942 N LYS B 15 10.513 -0.852 -5.886 1.00 0.00 N ATOM 943 CA LYS B 15 9.320 -1.225 -6.629 1.00 0.00 C ATOM 944 C LYS B 15 8.211 -1.663 -5.669 1.00 0.00 C ATOM 945 O LYS B 15 7.060 -1.828 -6.075 1.00 0.00 O ATOM 946 CB LYS B 15 9.635 -2.349 -7.616 1.00 0.00 C ATOM 947 CG LYS B 15 10.728 -1.996 -8.612 1.00 0.00 C ATOM 948 CD LYS B 15 10.522 -2.705 -9.940 1.00 0.00 C ATOM 949 CE LYS B 15 10.136 -1.727 -11.039 1.00 0.00 C ATOM 950 NZ LYS B 15 11.330 -1.187 -11.745 1.00 0.00 N ATOM 0 H LYS B 15 11.298 -1.495 -5.991 1.00 0.00 H new ATOM 0 HA LYS B 15 8.977 -0.355 -7.189 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.935 -3.237 -7.059 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.727 -2.607 -8.162 1.00 0.00 H new ATOM 0 HG2 LYS B 15 10.741 -0.918 -8.772 1.00 0.00 H new ATOM 0 HG3 LYS B 15 11.699 -2.269 -8.200 1.00 0.00 H new ATOM 0 HD2 LYS B 15 11.437 -3.227 -10.221 1.00 0.00 H new ATOM 0 HD3 LYS B 15 9.743 -3.460 -9.834 1.00 0.00 H new ATOM 0 HE2 LYS B 15 9.485 -2.226 -11.757 1.00 0.00 H new ATOM 0 HE3 LYS B 15 9.565 -0.904 -10.609 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 11.025 -0.525 -12.486 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 11.940 -0.689 -11.065 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 11.861 -1.970 -12.177 1.00 0.00 H new ATOM 964 N GLU B 16 8.563 -1.850 -4.393 1.00 0.00 N ATOM 965 CA GLU B 16 7.595 -2.266 -3.388 1.00 0.00 C ATOM 966 C GLU B 16 6.863 -1.065 -2.798 1.00 0.00 C ATOM 967 O GLU B 16 5.667 -1.140 -2.526 1.00 0.00 O ATOM 968 CB GLU B 16 8.288 -3.055 -2.273 1.00 0.00 C ATOM 969 CG GLU B 16 8.416 -4.542 -2.565 1.00 0.00 C ATOM 970 CD GLU B 16 7.108 -5.169 -3.006 1.00 0.00 C ATOM 971 OE1 GLU B 16 6.044 -4.577 -2.731 1.00 0.00 O ATOM 972 OE2 GLU B 16 7.148 -6.253 -3.625 1.00 0.00 O ATOM 0 H GLU B 16 9.510 -1.719 -4.038 1.00 0.00 H new ATOM 0 HA GLU B 16 6.862 -2.908 -3.876 1.00 0.00 H new ATOM 0 HB2 GLU B 16 9.282 -2.639 -2.110 1.00 0.00 H new ATOM 0 HB3 GLU B 16 7.731 -2.922 -1.346 1.00 0.00 H new ATOM 0 HG2 GLU B 16 9.166 -4.692 -3.342 1.00 0.00 H new ATOM 0 HG3 GLU B 16 8.776 -5.053 -1.672 1.00 0.00 H new ATOM 979 N ILE B 17 7.576 0.044 -2.606 1.00 0.00 N ATOM 980 CA ILE B 17 6.963 1.250 -2.056 1.00 0.00 C ATOM 981 C ILE B 17 6.102 1.934 -3.115 1.00 0.00 C ATOM 982 O ILE B 17 5.070 2.530 -2.801 1.00 0.00 O ATOM 983 CB ILE B 17 8.029 2.239 -1.522 1.00 0.00 C ATOM 984 CG1 ILE B 17 7.383 3.573 -1.121 1.00 0.00 C ATOM 985 CG2 ILE B 17 9.122 2.454 -2.559 1.00 0.00 C ATOM 986 CD1 ILE B 17 8.378 4.631 -0.696 1.00 0.00 C ATOM 0 H ILE B 17 8.569 0.132 -2.821 1.00 0.00 H new ATOM 0 HA ILE B 17 6.335 0.949 -1.218 1.00 0.00 H new ATOM 0 HB ILE B 17 8.484 1.806 -0.631 1.00 0.00 H new ATOM 0 HG12 ILE B 17 6.802 3.951 -1.962 1.00 0.00 H new ATOM 0 HG13 ILE B 17 6.684 3.396 -0.304 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.863 3.151 -2.168 1.00 0.00 H new ATOM 0 HG22 ILE B 17 9.603 1.502 -2.783 1.00 0.00 H new ATOM 0 HG23 ILE B 17 8.684 2.863 -3.470 1.00 0.00 H new ATOM 0 HD11 ILE B 17 7.846 5.544 -0.428 1.00 0.00 H new ATOM 0 HD12 ILE B 17 8.943 4.274 0.165 1.00 0.00 H new ATOM 0 HD13 ILE B 17 9.063 4.838 -1.519 1.00 0.00 H new ATOM 998 N GLU B 18 6.525 1.833 -4.371 1.00 0.00 N ATOM 999 CA GLU B 18 5.785 2.434 -5.472 1.00 0.00 C ATOM 1000 C GLU B 18 4.566 1.589 -5.824 1.00 0.00 C ATOM 1001 O GLU B 18 3.486 2.119 -6.089 1.00 0.00 O ATOM 1002 CB GLU B 18 6.686 2.589 -6.698 1.00 0.00 C ATOM 1003 CG GLU B 18 7.623 3.784 -6.617 1.00 0.00 C ATOM 1004 CD GLU B 18 8.345 4.047 -7.924 1.00 0.00 C ATOM 1005 OE1 GLU B 18 7.782 3.722 -8.990 1.00 0.00 O ATOM 1006 OE2 GLU B 18 9.475 4.579 -7.881 1.00 0.00 O ATOM 0 H GLU B 18 7.374 1.342 -4.650 1.00 0.00 H new ATOM 0 HA GLU B 18 5.446 3.421 -5.157 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.277 1.682 -6.821 1.00 0.00 H new ATOM 0 HB3 GLU B 18 6.063 2.686 -7.587 1.00 0.00 H new ATOM 0 HG2 GLU B 18 7.053 4.670 -6.336 1.00 0.00 H new ATOM 0 HG3 GLU B 18 8.356 3.614 -5.829 1.00 0.00 H new ATOM 1013 N ARG B 19 4.743 0.271 -5.818 1.00 0.00 N ATOM 1014 CA ARG B 19 3.654 -0.643 -6.132 1.00 0.00 C ATOM 1015 C ARG B 19 2.661 -0.712 -4.979 1.00 0.00 C ATOM 1016 O ARG B 19 1.482 -1.007 -5.178 1.00 0.00 O ATOM 1017 CB ARG B 19 4.200 -2.040 -6.438 1.00 0.00 C ATOM 1018 CG ARG B 19 3.221 -2.924 -7.192 1.00 0.00 C ATOM 1019 CD ARG B 19 3.807 -4.303 -7.457 1.00 0.00 C ATOM 1020 NE ARG B 19 3.460 -5.256 -6.407 1.00 0.00 N ATOM 1021 CZ ARG B 19 2.214 -5.638 -6.143 1.00 0.00 C ATOM 1022 NH1 ARG B 19 1.204 -5.151 -6.850 1.00 0.00 N ATOM 1023 NH2 ARG B 19 1.978 -6.511 -5.172 1.00 0.00 N ATOM 0 H ARG B 19 5.629 -0.185 -5.599 1.00 0.00 H new ATOM 0 HA ARG B 19 3.137 -0.266 -7.014 1.00 0.00 H new ATOM 0 HB2 ARG B 19 5.114 -1.943 -7.023 1.00 0.00 H new ATOM 0 HB3 ARG B 19 4.471 -2.528 -5.502 1.00 0.00 H new ATOM 0 HG2 ARG B 19 2.300 -3.023 -6.617 1.00 0.00 H new ATOM 0 HG3 ARG B 19 2.956 -2.452 -8.138 1.00 0.00 H new ATOM 0 HD2 ARG B 19 3.445 -4.673 -8.416 1.00 0.00 H new ATOM 0 HD3 ARG B 19 4.892 -4.227 -7.534 1.00 0.00 H new ATOM 0 HE ARG B 19 4.215 -5.650 -5.845 1.00 0.00 H new ATOM 0 HH11 ARG B 19 1.382 -4.481 -7.599 1.00 0.00 H new ATOM 0 HH12 ARG B 19 0.249 -5.446 -6.645 1.00 0.00 H new ATOM 0 HH21 ARG B 19 2.753 -6.890 -4.627 1.00 0.00 H new ATOM 0 HH22 ARG B 19 1.022 -6.803 -4.970 1.00 0.00 H new ATOM 1037 N LEU B 20 3.140 -0.427 -3.772 1.00 0.00 N ATOM 1038 CA LEU B 20 2.288 -0.447 -2.594 1.00 0.00 C ATOM 1039 C LEU B 20 1.380 0.775 -2.583 1.00 0.00 C ATOM 1040 O LEU B 20 0.207 0.685 -2.226 1.00 0.00 O ATOM 1041 CB LEU B 20 3.131 -0.487 -1.318 1.00 0.00 C ATOM 1042 CG LEU B 20 3.364 -1.884 -0.733 1.00 0.00 C ATOM 1043 CD1 LEU B 20 2.138 -2.351 0.034 1.00 0.00 C ATOM 1044 CD2 LEU B 20 3.716 -2.875 -1.832 1.00 0.00 C ATOM 0 H LEU B 20 4.112 -0.180 -3.587 1.00 0.00 H new ATOM 0 HA LEU B 20 1.673 -1.346 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU B 20 4.099 -0.032 -1.527 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.646 0.130 -0.562 1.00 0.00 H new ATOM 0 HG LEU B 20 4.204 -1.830 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU B 20 2.321 -3.345 0.443 1.00 0.00 H new ATOM 0 HD12 LEU B 20 1.932 -1.656 0.848 1.00 0.00 H new ATOM 0 HD13 LEU B 20 1.280 -2.387 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU B 20 3.877 -3.861 -1.395 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.899 -2.926 -2.551 1.00 0.00 H new ATOM 0 HD23 LEU B 20 4.625 -2.549 -2.338 1.00 0.00 H new ATOM 1056 N GLN B 21 1.931 1.917 -2.987 1.00 0.00 N ATOM 1057 CA GLN B 21 1.165 3.156 -3.035 1.00 0.00 C ATOM 1058 C GLN B 21 0.027 3.038 -4.042 1.00 0.00 C ATOM 1059 O GLN B 21 -1.119 3.383 -3.745 1.00 0.00 O ATOM 1060 CB GLN B 21 2.075 4.329 -3.406 1.00 0.00 C ATOM 1061 CG GLN B 21 2.531 5.147 -2.209 1.00 0.00 C ATOM 1062 CD GLN B 21 3.229 6.431 -2.614 1.00 0.00 C ATOM 1063 OE1 GLN B 21 4.381 6.666 -2.249 1.00 0.00 O ATOM 1064 NE2 GLN B 21 2.532 7.270 -3.371 1.00 0.00 N ATOM 0 H GLN B 21 2.902 2.008 -3.285 1.00 0.00 H new ATOM 0 HA GLN B 21 0.741 3.339 -2.048 1.00 0.00 H new ATOM 0 HB2 GLN B 21 2.951 3.947 -3.929 1.00 0.00 H new ATOM 0 HB3 GLN B 21 1.547 4.981 -4.102 1.00 0.00 H new ATOM 0 HG2 GLN B 21 1.668 5.387 -1.587 1.00 0.00 H new ATOM 0 HG3 GLN B 21 3.206 4.547 -1.599 1.00 0.00 H new ATOM 0 HE21 GLN B 21 1.580 7.034 -3.650 1.00 0.00 H new ATOM 0 HE22 GLN B 21 2.949 8.150 -3.674 1.00 0.00 H new ATOM 1073 N LYS B 22 0.347 2.540 -5.233 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.652 2.370 -6.280 1.00 0.00 C ATOM 1075 C LYS B 22 -1.697 1.343 -5.859 1.00 0.00 C ATOM 1076 O LYS B 22 -2.861 1.427 -6.249 1.00 0.00 O ATOM 1077 CB LYS B 22 0.016 1.933 -7.586 1.00 0.00 C ATOM 1078 CG LYS B 22 -0.719 2.402 -8.831 1.00 0.00 C ATOM 1079 CD LYS B 22 -1.511 1.272 -9.468 1.00 0.00 C ATOM 1080 CE LYS B 22 -0.606 0.313 -10.224 1.00 0.00 C ATOM 1081 NZ LYS B 22 -0.960 -1.109 -9.964 1.00 0.00 N ATOM 0 H LYS B 22 1.288 2.248 -5.495 1.00 0.00 H new ATOM 0 HA LYS B 22 -1.148 3.327 -6.441 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.036 2.318 -7.609 1.00 0.00 H new ATOM 0 HB3 LYS B 22 0.085 0.845 -7.603 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -1.393 3.219 -8.571 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -0.002 2.797 -9.551 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -2.055 0.728 -8.696 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -2.254 1.686 -10.150 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -0.676 0.515 -11.293 1.00 0.00 H new ATOM 0 HE3 LYS B 22 0.430 0.488 -9.934 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -0.319 -1.730 -10.498 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -0.868 -1.309 -8.948 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -1.940 -1.283 -10.264 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.269 0.374 -5.056 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.163 -0.672 -4.576 1.00 0.00 C ATOM 1097 C GLU B 23 -3.196 -0.102 -3.609 1.00 0.00 C ATOM 1098 O GLU B 23 -4.357 -0.515 -3.611 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.364 -1.782 -3.891 1.00 0.00 C ATOM 1100 CG GLU B 23 -1.606 -3.160 -4.483 1.00 0.00 C ATOM 1101 CD GLU B 23 -0.343 -3.996 -4.546 1.00 0.00 C ATOM 1102 OE1 GLU B 23 0.690 -3.478 -5.020 1.00 0.00 O ATOM 1103 OE2 GLU B 23 -0.387 -5.170 -4.123 1.00 0.00 O ATOM 0 H GLU B 23 -0.308 0.292 -4.724 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.687 -1.090 -5.436 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -0.302 -1.548 -3.959 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -1.619 -1.801 -2.831 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -2.354 -3.682 -3.886 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -2.017 -3.053 -5.487 1.00 0.00 H new ATOM 1110 N ILE B 24 -2.772 0.854 -2.787 1.00 0.00 N ATOM 1111 CA ILE B 24 -3.675 1.475 -1.825 1.00 0.00 C ATOM 1112 C ILE B 24 -4.767 2.254 -2.561 1.00 0.00 C ATOM 1113 O ILE B 24 -5.939 2.209 -2.188 1.00 0.00 O ATOM 1114 CB ILE B 24 -2.922 2.392 -0.801 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -2.899 3.865 -1.236 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.500 1.900 -0.573 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -4.183 4.598 -0.912 1.00 0.00 C ATOM 0 H ILE B 24 -1.817 1.213 -2.768 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.136 0.677 -1.243 1.00 0.00 H new ATOM 0 HB ILE B 24 -3.479 2.332 0.134 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -2.066 4.370 -0.747 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -2.718 3.918 -2.310 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -0.999 2.553 0.141 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -1.525 0.884 -0.180 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -0.956 1.910 -1.517 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -4.105 5.633 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -5.016 4.115 -1.423 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -4.354 4.574 0.164 1.00 0.00 H new ATOM 1129 N GLU B 25 -4.363 2.963 -3.613 1.00 0.00 N ATOM 1130 CA GLU B 25 -5.295 3.749 -4.411 1.00 0.00 C ATOM 1131 C GLU B 25 -6.392 2.858 -4.984 1.00 0.00 C ATOM 1132 O GLU B 25 -7.571 3.212 -4.954 1.00 0.00 O ATOM 1133 CB GLU B 25 -4.555 4.461 -5.545 1.00 0.00 C ATOM 1134 CG GLU B 25 -5.338 5.614 -6.152 1.00 0.00 C ATOM 1135 CD GLU B 25 -4.858 6.966 -5.663 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -4.659 7.119 -4.440 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -4.681 7.872 -6.505 1.00 0.00 O ATOM 0 H GLU B 25 -3.395 3.008 -3.931 1.00 0.00 H new ATOM 0 HA GLU B 25 -5.754 4.497 -3.764 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.604 4.837 -5.167 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -4.324 3.738 -6.327 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -5.254 5.574 -7.238 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -6.394 5.498 -5.910 1.00 0.00 H new ATOM 1144 N ARG B 26 -5.998 1.697 -5.497 1.00 0.00 N ATOM 1145 CA ARG B 26 -6.955 0.757 -6.065 1.00 0.00 C ATOM 1146 C ARG B 26 -8.030 0.417 -5.041 1.00 0.00 C ATOM 1147 O ARG B 26 -9.227 0.497 -5.326 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.244 -0.518 -6.522 1.00 0.00 C ATOM 1149 CG ARG B 26 -5.871 -0.511 -7.996 1.00 0.00 C ATOM 1150 CD ARG B 26 -6.724 -1.487 -8.791 1.00 0.00 C ATOM 1151 NE ARG B 26 -8.102 -1.022 -8.928 1.00 0.00 N ATOM 1152 CZ ARG B 26 -9.107 -1.803 -9.308 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -8.887 -3.080 -9.589 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -10.333 -1.309 -9.407 1.00 0.00 N ATOM 0 H ARG B 26 -5.027 1.386 -5.531 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.426 1.223 -6.930 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.340 -0.653 -5.928 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -6.888 -1.375 -6.323 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -5.995 0.494 -8.399 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -4.818 -0.772 -8.107 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -6.288 -1.627 -9.780 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -6.717 -2.460 -8.299 1.00 0.00 H new ATOM 0 HE ARG B 26 -8.304 -0.044 -8.720 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -7.945 -3.464 -9.513 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -9.660 -3.678 -9.881 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -10.506 -0.327 -9.191 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -11.103 -1.911 -9.699 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.595 0.053 -3.840 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.519 -0.284 -2.767 1.00 0.00 C ATOM 1170 C HIS B 27 -9.366 0.929 -2.398 1.00 0.00 C ATOM 1171 O HIS B 27 -10.478 0.790 -1.890 1.00 0.00 O ATOM 1172 CB HIS B 27 -7.754 -0.782 -1.540 1.00 0.00 C ATOM 1173 CG HIS B 27 -7.401 -2.236 -1.605 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -8.313 -3.244 -1.371 1.00 0.00 N ATOM 1175 CD2 HIS B 27 -6.226 -2.851 -1.880 1.00 0.00 C ATOM 1176 CE1 HIS B 27 -7.714 -4.415 -1.499 1.00 0.00 C ATOM 1177 NE2 HIS B 27 -6.449 -4.203 -1.808 1.00 0.00 N ATOM 0 H HIS B 27 -6.609 -0.016 -3.586 1.00 0.00 H new ATOM 0 HA HIS B 27 -9.177 -1.080 -3.116 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -6.840 -0.199 -1.431 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -8.355 -0.602 -0.649 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -5.289 -2.368 -2.113 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -8.180 -5.381 -1.372 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -5.749 -4.928 -1.968 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.830 2.120 -2.659 1.00 0.00 N ATOM 1187 CA LYS B 28 -9.532 3.361 -2.357 1.00 0.00 C ATOM 1188 C LYS B 28 -10.661 3.603 -3.351 1.00 0.00 C ATOM 1189 O LYS B 28 -11.656 4.250 -3.028 1.00 0.00 O ATOM 1190 CB LYS B 28 -8.558 4.540 -2.377 1.00 0.00 C ATOM 1191 CG LYS B 28 -9.214 5.877 -2.074 1.00 0.00 C ATOM 1192 CD LYS B 28 -8.261 7.034 -2.326 1.00 0.00 C ATOM 1193 CE LYS B 28 -8.672 7.838 -3.550 1.00 0.00 C ATOM 1194 NZ LYS B 28 -7.882 9.093 -3.680 1.00 0.00 N ATOM 0 H LYS B 28 -7.910 2.249 -3.080 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.963 3.272 -1.360 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.767 4.360 -1.649 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -8.083 4.592 -3.357 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.104 5.996 -2.692 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -9.543 5.895 -1.035 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.239 7.685 -1.452 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.250 6.651 -2.464 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.539 7.231 -4.445 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.732 8.081 -3.485 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -8.192 9.612 -4.526 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -8.029 9.685 -2.837 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -6.872 8.860 -3.768 1.00 0.00 H new ATOM 1208 N GLN B 29 -10.500 3.081 -4.562 1.00 0.00 N ATOM 1209 CA GLN B 29 -11.510 3.242 -5.599 1.00 0.00 C ATOM 1210 C GLN B 29 -12.686 2.306 -5.352 1.00 0.00 C ATOM 1211 O GLN B 29 -13.838 2.659 -5.610 1.00 0.00 O ATOM 1212 CB GLN B 29 -10.906 2.971 -6.979 1.00 0.00 C ATOM 1213 CG GLN B 29 -11.762 3.481 -8.127 1.00 0.00 C ATOM 1214 CD GLN B 29 -11.186 4.725 -8.775 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -10.562 4.656 -9.833 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -11.394 5.873 -8.140 1.00 0.00 N ATOM 0 H GLN B 29 -9.681 2.544 -4.848 1.00 0.00 H new ATOM 0 HA GLN B 29 -11.870 4.270 -5.568 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -9.923 3.438 -7.034 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -10.756 1.898 -7.097 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -11.861 2.697 -8.878 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -12.765 3.698 -7.759 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -11.917 5.884 -7.265 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -11.030 6.744 -8.528 1.00 0.00 H new ATOM 1225 N SER B 30 -12.389 1.114 -4.847 1.00 0.00 N ATOM 1226 CA SER B 30 -13.426 0.128 -4.562 1.00 0.00 C ATOM 1227 C SER B 30 -14.238 0.531 -3.333 1.00 0.00 C ATOM 1228 O SER B 30 -15.459 0.379 -3.307 1.00 0.00 O ATOM 1229 CB SER B 30 -12.802 -1.251 -4.344 1.00 0.00 C ATOM 1230 OG SER B 30 -13.745 -2.159 -3.801 1.00 0.00 O ATOM 0 H SER B 30 -11.442 0.807 -4.627 1.00 0.00 H new ATOM 0 HA SER B 30 -14.096 0.085 -5.420 1.00 0.00 H new ATOM 0 HB2 SER B 30 -12.425 -1.637 -5.291 1.00 0.00 H new ATOM 0 HB3 SER B 30 -11.948 -1.165 -3.673 1.00 0.00 H new ATOM 0 HG SER B 30 -13.321 -3.033 -3.672 1.00 0.00 H new ATOM 1236 N ILE B 31 -13.549 1.041 -2.317 1.00 0.00 N ATOM 1237 CA ILE B 31 -14.203 1.463 -1.083 1.00 0.00 C ATOM 1238 C ILE B 31 -14.947 2.781 -1.273 1.00 0.00 C ATOM 1239 O ILE B 31 -15.970 3.024 -0.632 1.00 0.00 O ATOM 1240 CB ILE B 31 -13.172 1.602 0.060 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -13.813 2.146 1.337 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -12.024 2.502 -0.368 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -14.584 1.109 2.115 1.00 0.00 C ATOM 0 H ILE B 31 -12.537 1.172 -2.324 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.929 0.695 -0.816 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.787 0.605 0.276 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -13.034 2.562 1.976 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -14.483 2.965 1.077 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -11.307 2.590 0.448 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -11.531 2.073 -1.240 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -12.410 3.490 -0.619 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -15.011 1.567 3.008 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.386 0.710 1.494 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -13.914 0.300 2.407 1.00 0.00 H new ATOM 1255 N LYS B 32 -14.434 3.625 -2.159 1.00 0.00 N ATOM 1256 CA LYS B 32 -15.059 4.914 -2.428 1.00 0.00 C ATOM 1257 C LYS B 32 -16.204 4.765 -3.425 1.00 0.00 C ATOM 1258 O LYS B 32 -17.113 5.596 -3.468 1.00 0.00 O ATOM 1259 CB LYS B 32 -14.024 5.904 -2.966 1.00 0.00 C ATOM 1260 CG LYS B 32 -14.546 7.328 -3.073 1.00 0.00 C ATOM 1261 CD LYS B 32 -13.762 8.277 -2.181 1.00 0.00 C ATOM 1262 CE LYS B 32 -14.444 8.468 -0.837 1.00 0.00 C ATOM 1263 NZ LYS B 32 -13.729 9.461 0.013 1.00 0.00 N ATOM 0 H LYS B 32 -13.590 3.442 -2.702 1.00 0.00 H new ATOM 0 HA LYS B 32 -15.464 5.296 -1.491 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -13.150 5.894 -2.315 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -13.692 5.572 -3.950 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -14.482 7.663 -4.108 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -15.600 7.352 -2.795 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -12.756 7.886 -2.028 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -13.657 9.242 -2.677 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -15.471 8.798 -0.995 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -14.493 7.512 -0.316 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -14.226 9.562 0.921 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -12.757 9.134 0.185 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -13.705 10.380 -0.473 1.00 0.00 H new ATOM 1277 N LYS B 33 -16.156 3.705 -4.225 1.00 0.00 N ATOM 1278 CA LYS B 33 -17.190 3.457 -5.222 1.00 0.00 C ATOM 1279 C LYS B 33 -18.382 2.729 -4.615 1.00 0.00 C ATOM 1280 O LYS B 33 -19.520 2.926 -5.044 1.00 0.00 O ATOM 1281 CB LYS B 33 -16.622 2.646 -6.389 1.00 0.00 C ATOM 1282 CG LYS B 33 -17.656 2.305 -7.451 1.00 0.00 C ATOM 1283 CD LYS B 33 -17.015 1.646 -8.662 1.00 0.00 C ATOM 1284 CE LYS B 33 -17.942 1.675 -9.865 1.00 0.00 C ATOM 1285 NZ LYS B 33 -17.667 0.555 -10.806 1.00 0.00 N ATOM 0 H LYS B 33 -15.414 3.006 -4.202 1.00 0.00 H new ATOM 0 HA LYS B 33 -17.533 4.423 -5.591 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -15.810 3.208 -6.851 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -16.191 1.722 -6.003 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -18.407 1.638 -7.028 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -18.174 3.213 -7.761 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -16.084 2.157 -8.906 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -16.759 0.614 -8.423 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -18.977 1.619 -9.527 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -17.828 2.625 -10.388 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -18.321 0.611 -11.613 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -16.687 0.622 -11.149 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -17.800 -0.352 -10.315 1.00 0.00 H new ATOM 1299 N LEU B 34 -18.128 1.893 -3.613 1.00 0.00 N ATOM 1300 CA LEU B 34 -19.198 1.154 -2.962 1.00 0.00 C ATOM 1301 C LEU B 34 -19.803 1.985 -1.839 1.00 0.00 C ATOM 1302 O LEU B 34 -20.976 1.828 -1.497 1.00 0.00 O ATOM 1303 CB LEU B 34 -18.677 -0.175 -2.418 1.00 0.00 C ATOM 1304 CG LEU B 34 -18.150 -1.147 -3.475 1.00 0.00 C ATOM 1305 CD1 LEU B 34 -17.060 -2.031 -2.889 1.00 0.00 C ATOM 1306 CD2 LEU B 34 -19.285 -1.995 -4.029 1.00 0.00 C ATOM 0 H LEU B 34 -17.197 1.713 -3.238 1.00 0.00 H new ATOM 0 HA LEU B 34 -19.973 0.944 -3.699 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -17.878 0.030 -1.705 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -19.480 -0.663 -1.866 1.00 0.00 H new ATOM 0 HG LEU B 34 -17.720 -0.569 -4.293 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -16.697 -2.716 -3.655 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -16.236 -1.409 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -17.465 -2.602 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -18.893 -2.681 -4.780 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -19.742 -2.565 -3.220 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -20.034 -1.347 -4.485 1.00 0.00 H new ATOM 1318 N LYS B 35 -18.997 2.879 -1.275 1.00 0.00 N ATOM 1319 CA LYS B 35 -19.456 3.746 -0.200 1.00 0.00 C ATOM 1320 C LYS B 35 -20.173 4.964 -0.769 1.00 0.00 C ATOM 1321 O LYS B 35 -21.070 5.521 -0.135 1.00 0.00 O ATOM 1322 CB LYS B 35 -18.277 4.188 0.670 1.00 0.00 C ATOM 1323 CG LYS B 35 -18.695 4.791 2.001 1.00 0.00 C ATOM 1324 CD LYS B 35 -18.543 6.303 2.001 1.00 0.00 C ATOM 1325 CE LYS B 35 -19.872 6.996 1.751 1.00 0.00 C ATOM 1326 NZ LYS B 35 -19.999 8.256 2.534 1.00 0.00 N ATOM 0 H LYS B 35 -18.024 3.021 -1.546 1.00 0.00 H new ATOM 0 HA LYS B 35 -20.156 3.185 0.419 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -17.632 3.329 0.856 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -17.684 4.919 0.120 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -19.732 4.529 2.211 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -18.090 4.364 2.801 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -18.136 6.629 2.958 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -17.828 6.598 1.233 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -19.971 7.218 0.688 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -20.688 6.322 2.013 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -20.919 8.697 2.335 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -19.930 8.042 3.549 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -19.236 8.910 2.265 1.00 0.00 H new ATOM 1340 N GLN B 36 -19.776 5.369 -1.972 1.00 0.00 N ATOM 1341 CA GLN B 36 -20.388 6.516 -2.628 1.00 0.00 C ATOM 1342 C GLN B 36 -21.635 6.092 -3.394 1.00 0.00 C ATOM 1343 O GLN B 36 -22.585 6.862 -3.533 1.00 0.00 O ATOM 1344 CB GLN B 36 -19.392 7.184 -3.578 1.00 0.00 C ATOM 1345 CG GLN B 36 -19.994 8.313 -4.397 1.00 0.00 C ATOM 1346 CD GLN B 36 -20.621 9.389 -3.533 1.00 0.00 C ATOM 1347 OE1 GLN B 36 -21.554 9.126 -2.774 1.00 0.00 O ATOM 1348 NE2 GLN B 36 -20.110 10.609 -3.644 1.00 0.00 N ATOM 0 H GLN B 36 -19.035 4.920 -2.510 1.00 0.00 H new ATOM 0 HA GLN B 36 -20.676 7.234 -1.860 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -18.555 7.574 -2.998 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -18.988 6.431 -4.255 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -19.219 8.758 -5.020 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -20.749 7.906 -5.070 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -19.336 10.781 -4.286 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -20.491 11.374 -3.087 1.00 0.00 H new ATOM 1357 N SER B 37 -21.626 4.857 -3.885 1.00 0.00 N ATOM 1358 CA SER B 37 -22.758 4.324 -4.633 1.00 0.00 C ATOM 1359 C SER B 37 -23.802 3.741 -3.687 1.00 0.00 C ATOM 1360 O SER B 37 -24.985 3.673 -4.018 1.00 0.00 O ATOM 1361 CB SER B 37 -22.289 3.252 -5.619 1.00 0.00 C ATOM 1362 OG SER B 37 -21.507 3.819 -6.656 1.00 0.00 O ATOM 0 H SER B 37 -20.847 4.207 -3.778 1.00 0.00 H new ATOM 0 HA SER B 37 -23.213 5.143 -5.191 1.00 0.00 H new ATOM 0 HB2 SER B 37 -21.706 2.498 -5.091 1.00 0.00 H new ATOM 0 HB3 SER B 37 -23.153 2.744 -6.047 1.00 0.00 H new ATOM 0 HG SER B 37 -20.556 3.690 -6.457 1.00 0.00 H new ATOM 1368 N GLU B 38 -23.355 3.322 -2.506 1.00 0.00 N ATOM 1369 CA GLU B 38 -24.254 2.749 -1.511 1.00 0.00 C ATOM 1370 C GLU B 38 -24.864 3.842 -0.638 1.00 0.00 C ATOM 1371 O GLU B 38 -25.941 3.666 -0.070 1.00 0.00 O ATOM 1372 CB GLU B 38 -23.508 1.739 -0.638 1.00 0.00 C ATOM 1373 CG GLU B 38 -24.413 0.965 0.306 1.00 0.00 C ATOM 1374 CD GLU B 38 -24.161 1.300 1.763 1.00 0.00 C ATOM 1375 OE1 GLU B 38 -23.054 1.788 2.077 1.00 0.00 O ATOM 1376 OE2 GLU B 38 -25.069 1.076 2.590 1.00 0.00 O ATOM 0 H GLU B 38 -22.378 3.369 -2.216 1.00 0.00 H new ATOM 0 HA GLU B 38 -25.059 2.236 -2.037 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -22.981 1.035 -1.282 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -22.752 2.264 -0.054 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -25.454 1.179 0.063 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -24.263 -0.104 0.152 1.00 0.00 H new ATOM 1383 N ASP B 39 -24.168 4.971 -0.538 1.00 0.00 N ATOM 1384 CA ASP B 39 -24.643 6.092 0.264 1.00 0.00 C ATOM 1385 C ASP B 39 -25.538 7.011 -0.564 1.00 0.00 C ATOM 1386 O ASP B 39 -26.388 7.717 -0.024 1.00 0.00 O ATOM 1387 CB ASP B 39 -23.460 6.883 0.827 1.00 0.00 C ATOM 1388 CG ASP B 39 -23.896 8.127 1.576 1.00 0.00 C ATOM 1389 OD1 ASP B 39 -24.256 9.122 0.914 1.00 0.00 O ATOM 1390 OD2 ASP B 39 -23.877 8.105 2.825 1.00 0.00 O ATOM 0 H ASP B 39 -23.274 5.133 -1.002 1.00 0.00 H new ATOM 0 HA ASP B 39 -25.229 5.692 1.092 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -22.885 6.243 1.496 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -22.797 7.168 0.011 1.00 0.00 H new ATOM 1395 N ASP B 40 -25.338 6.996 -1.879 1.00 0.00 N ATOM 1396 CA ASP B 40 -26.126 7.828 -2.780 1.00 0.00 C ATOM 1397 C ASP B 40 -26.428 7.088 -4.079 1.00 0.00 C ATOM 1398 O ASP B 40 -26.166 7.596 -5.170 1.00 0.00 O ATOM 1399 CB ASP B 40 -25.385 9.131 -3.082 1.00 0.00 C ATOM 1400 CG ASP B 40 -26.323 10.247 -3.500 1.00 0.00 C ATOM 1401 OD1 ASP B 40 -26.893 10.158 -4.608 1.00 0.00 O ATOM 1402 OD2 ASP B 40 -26.488 11.208 -2.720 1.00 0.00 O ATOM 0 H ASP B 40 -24.638 6.417 -2.343 1.00 0.00 H new ATOM 0 HA ASP B 40 -27.070 8.061 -2.288 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -24.827 9.441 -2.199 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -24.657 8.956 -3.874 1.00 0.00 H new ATOM 1407 N ASP B 41 -26.980 5.886 -3.956 1.00 0.00 N ATOM 1408 CA ASP B 41 -27.317 5.077 -5.121 1.00 0.00 C ATOM 1409 C ASP B 41 -28.501 5.675 -5.874 1.00 0.00 C ATOM 1410 O ASP B 41 -29.546 5.919 -5.235 1.00 0.00 O ATOM 1411 CB ASP B 41 -27.642 3.643 -4.694 1.00 0.00 C ATOM 1412 CG ASP B 41 -27.103 2.616 -5.671 1.00 0.00 C ATOM 1413 OD1 ASP B 41 -26.122 2.926 -6.379 1.00 0.00 O ATOM 1414 OD2 ASP B 41 -27.661 1.500 -5.726 1.00 0.00 O ATOM 1415 OXT ASP B 41 -28.372 5.895 -7.097 1.00 0.00 O ATOM 0 H ASP B 41 -27.204 5.450 -3.061 1.00 0.00 H new ATOM 0 HA ASP B 41 -26.454 5.065 -5.787 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -27.222 3.456 -3.706 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -28.722 3.528 -4.608 1.00 0.00 H new TER 1420 ASP B 41