USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 561 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 7 LYS NZ :NH3+ -178:sc= -4.8! (180deg=-1.41!) USER MOD Set 1.2: B 12 LYS NZ :NH3+ -165:sc= -3.85! (180deg=-1.16) USER MOD Set 2.1: A 1 MET CE :methyl 172:sc= -1.09 (180deg=-0.328) USER MOD Set 2.2: B 1 MET CE :methyl -163:sc= -4.18! (180deg=-3.91!) USER MOD Set 3.1: A 12 LYS NZ :NH3+ -97:sc= 1.02 (180deg=-0.617) USER MOD Set 3.2: A 16 TYR OH : rot -15:sc= -2.41! USER MOD Single : A 1 MET N :NH3+ -167:sc= 0 (180deg=-0.193) USER MOD Single : A 5 LYS NZ :NH3+ 144:sc= -0.011 (180deg=-0.259) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 180:sc= -3.69! (180deg=-3.69!) USER MOD Single : A 9 GLN : amide:sc= -0.0141 X(o=-0.014,f=-0.037) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.574 X(o=-0.57,f=-0.094) USER MOD Single : A 20 ASN : amide:sc= -0.263 K(o=-0.26,f=-2.3!) USER MOD Single : A 26 LYS NZ :NH3+ 153:sc= -2.62 (180deg=-2.97!) USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= -3.39! (180deg=-3.56!) USER MOD Single : B 1 MET N :NH3+ -171:sc= -0.0476 (180deg=-0.139) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -161:sc= -1.04 (180deg=-1.93) USER MOD Single : B 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 ASN :FLIP amide:sc= -0.14 F(o=-1.1,f=-0.14) USER MOD Single : B 16 TYR OH : rot 180:sc= -3.24! USER MOD Single : B 17 HIS :FLIP no HD1:sc= 0 F(o=-0.68,f=0) USER MOD Single : B 20 ASN : amide:sc= -2.38! C(o=-2.4!,f=-2.9!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.879 -11.579 16.813 1.00 0.00 N ATOM 2 CA MET A 1 9.474 -11.458 15.493 1.00 0.00 C ATOM 3 C MET A 1 8.842 -12.491 14.557 1.00 0.00 C ATOM 4 O MET A 1 8.603 -12.159 13.387 1.00 0.00 O ATOM 5 CB MET A 1 10.984 -11.691 15.565 1.00 0.00 C ATOM 6 CG MET A 1 11.720 -10.845 14.526 1.00 0.00 C ATOM 7 SD MET A 1 13.203 -11.722 13.947 1.00 0.00 S ATOM 8 CE MET A 1 14.151 -11.793 15.496 1.00 0.00 C ATOM 0 H1 MET A 1 9.136 -10.751 17.387 1.00 0.00 H new ATOM 0 H2 MET A 1 7.844 -11.630 16.724 1.00 0.00 H new ATOM 0 H3 MET A 1 9.230 -12.442 17.274 1.00 0.00 H new ATOM 0 HA MET A 1 9.292 -10.453 15.113 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.346 -11.444 16.563 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.201 -12.746 15.399 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.061 -10.634 13.684 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.001 -9.885 14.960 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.029 -12.424 15.357 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.467 -10.788 15.776 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.526 -12.210 16.286 1.00 0.00 H new ATOM 18 N ASP A 2 8.588 -13.703 15.082 1.00 0.00 N ATOM 19 CA ASP A 2 7.990 -14.771 14.299 1.00 0.00 C ATOM 20 C ASP A 2 6.740 -14.242 13.592 1.00 0.00 C ATOM 21 O ASP A 2 6.508 -14.629 12.437 1.00 0.00 O ATOM 22 CB ASP A 2 7.568 -15.940 15.193 1.00 0.00 C ATOM 23 CG ASP A 2 8.688 -16.922 15.544 1.00 0.00 C ATOM 24 OD1 ASP A 2 9.649 -16.426 16.247 1.00 0.00 O ATOM 25 OD2 ASP A 2 8.644 -18.102 15.164 1.00 0.00 O ATOM 0 H ASP A 2 8.792 -13.956 16.049 1.00 0.00 H new ATOM 0 HA ASP A 2 8.732 -15.116 13.579 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.153 -15.539 16.118 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.767 -16.488 14.696 1.00 0.00 H new ATOM 30 N ALA A 3 5.975 -13.382 14.287 1.00 0.00 N ATOM 31 CA ALA A 3 4.762 -12.807 13.729 1.00 0.00 C ATOM 32 C ALA A 3 5.111 -11.519 12.982 1.00 0.00 C ATOM 33 O ALA A 3 4.268 -11.039 12.209 1.00 0.00 O ATOM 34 CB ALA A 3 3.816 -12.404 14.862 1.00 0.00 C ATOM 0 H ALA A 3 6.185 -13.076 15.237 1.00 0.00 H new ATOM 0 HA ALA A 3 4.301 -13.543 13.070 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.907 -11.973 14.441 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.561 -13.284 15.453 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.305 -11.668 15.500 1.00 0.00 H new ATOM 40 N ILE A 4 6.326 -10.993 13.223 1.00 0.00 N ATOM 41 CA ILE A 4 6.778 -9.773 12.576 1.00 0.00 C ATOM 42 C ILE A 4 7.202 -10.088 11.141 1.00 0.00 C ATOM 43 O ILE A 4 6.808 -9.342 10.231 1.00 0.00 O ATOM 44 CB ILE A 4 7.872 -9.101 13.408 1.00 0.00 C ATOM 45 CG1 ILE A 4 7.350 -8.717 14.794 1.00 0.00 C ATOM 46 CG2 ILE A 4 8.466 -7.902 12.666 1.00 0.00 C ATOM 47 CD1 ILE A 4 7.763 -7.288 15.159 1.00 0.00 C ATOM 0 H ILE A 4 7.005 -11.404 13.864 1.00 0.00 H new ATOM 0 HA ILE A 4 5.965 -9.049 12.516 1.00 0.00 H new ATOM 0 HB ILE A 4 8.678 -9.819 13.556 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.263 -8.802 14.814 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.738 -9.413 15.538 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.241 -7.442 13.279 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.899 -8.236 11.723 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.681 -7.172 12.466 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.379 -7.040 16.149 1.00 0.00 H new ATOM 0 HD12 ILE A 4 8.850 -7.213 15.162 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.353 -6.593 14.426 1.00 0.00 H new ATOM 59 N LYS A 5 7.984 -11.170 10.967 1.00 0.00 N ATOM 60 CA LYS A 5 8.455 -11.576 9.655 1.00 0.00 C ATOM 61 C LYS A 5 7.264 -11.683 8.700 1.00 0.00 C ATOM 62 O LYS A 5 7.425 -11.348 7.517 1.00 0.00 O ATOM 63 CB LYS A 5 9.279 -12.861 9.755 1.00 0.00 C ATOM 64 CG LYS A 5 10.269 -12.787 10.921 1.00 0.00 C ATOM 65 CD LYS A 5 9.948 -13.845 11.980 1.00 0.00 C ATOM 66 CE LYS A 5 10.574 -15.192 11.617 1.00 0.00 C ATOM 67 NZ LYS A 5 9.534 -16.148 11.201 1.00 0.00 N ATOM 0 H LYS A 5 8.297 -11.772 11.729 1.00 0.00 H new ATOM 0 HA LYS A 5 9.128 -10.824 9.243 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.614 -13.714 9.891 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.820 -13.024 8.823 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.284 -12.933 10.551 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.234 -11.795 11.371 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.320 -13.517 12.951 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.868 -13.955 12.073 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.297 -15.059 10.812 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.120 -15.589 12.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.903 -16.753 10.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.262 -16.740 12.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.702 -15.628 10.857 1.00 0.00 H new ATOM 81 N LYS A 6 6.112 -12.140 9.223 1.00 0.00 N ATOM 82 CA LYS A 6 4.908 -12.288 8.423 1.00 0.00 C ATOM 83 C LYS A 6 4.150 -10.959 8.399 1.00 0.00 C ATOM 84 O LYS A 6 3.499 -10.670 7.384 1.00 0.00 O ATOM 85 CB LYS A 6 4.071 -13.464 8.928 1.00 0.00 C ATOM 86 CG LYS A 6 4.965 -14.580 9.472 1.00 0.00 C ATOM 87 CD LYS A 6 4.297 -15.948 9.311 1.00 0.00 C ATOM 88 CE LYS A 6 3.806 -16.151 7.877 1.00 0.00 C ATOM 89 NZ LYS A 6 3.740 -17.585 7.552 1.00 0.00 N ATOM 0 H LYS A 6 6.001 -12.411 10.200 1.00 0.00 H new ATOM 0 HA LYS A 6 5.163 -12.528 7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.393 -13.123 9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.454 -13.850 8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.920 -14.574 8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.179 -14.398 10.525 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.004 -16.735 9.572 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.458 -16.031 10.002 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.821 -15.699 7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.476 -15.645 7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.405 -17.704 6.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.686 -18.006 7.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.083 -18.059 8.204 1.00 0.00 H new ATOM 103 N LYS A 7 4.246 -10.191 9.498 1.00 0.00 N ATOM 104 CA LYS A 7 3.575 -8.907 9.601 1.00 0.00 C ATOM 105 C LYS A 7 3.958 -8.038 8.402 1.00 0.00 C ATOM 106 O LYS A 7 3.053 -7.475 7.768 1.00 0.00 O ATOM 107 CB LYS A 7 3.870 -8.255 10.954 1.00 0.00 C ATOM 108 CG LYS A 7 3.138 -6.918 11.090 1.00 0.00 C ATOM 109 CD LYS A 7 1.691 -7.034 10.606 1.00 0.00 C ATOM 110 CE LYS A 7 0.782 -6.058 11.356 1.00 0.00 C ATOM 111 NZ LYS A 7 1.523 -4.839 11.717 1.00 0.00 N ATOM 0 H LYS A 7 4.786 -10.448 10.324 1.00 0.00 H new ATOM 0 HA LYS A 7 2.494 -9.039 9.566 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.565 -8.924 11.758 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.943 -8.098 11.060 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.152 -6.596 12.131 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.658 -6.154 10.513 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.644 -6.831 9.536 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.335 -8.054 10.753 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.075 -5.799 10.735 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.391 -6.533 12.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.902 -4.202 12.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.346 -5.093 12.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.845 -4.360 10.852 1.00 0.00 H new ATOM 125 N MET A 8 5.270 -7.945 8.121 1.00 0.00 N ATOM 126 CA MET A 8 5.764 -7.151 7.009 1.00 0.00 C ATOM 127 C MET A 8 5.362 -7.818 5.693 1.00 0.00 C ATOM 128 O MET A 8 5.273 -7.112 4.676 1.00 0.00 O ATOM 129 CB MET A 8 7.288 -7.031 7.075 1.00 0.00 C ATOM 130 CG MET A 8 7.949 -8.408 6.990 1.00 0.00 C ATOM 131 SD MET A 8 9.703 -8.229 6.553 1.00 0.00 S ATOM 132 CE MET A 8 10.436 -9.457 7.674 1.00 0.00 C ATOM 0 H MET A 8 5.999 -8.415 8.657 1.00 0.00 H new ATOM 0 HA MET A 8 5.330 -6.153 7.067 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.643 -6.402 6.259 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.578 -6.541 8.004 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.855 -8.925 7.945 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.440 -9.019 6.244 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.517 -9.477 7.535 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.208 -9.190 8.706 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.024 -10.442 7.454 1.00 0.00 H new ATOM 142 N GLN A 9 5.128 -9.142 5.734 1.00 0.00 N ATOM 143 CA GLN A 9 4.739 -9.894 4.553 1.00 0.00 C ATOM 144 C GLN A 9 3.280 -9.581 4.213 1.00 0.00 C ATOM 145 O GLN A 9 2.913 -9.692 3.034 1.00 0.00 O ATOM 146 CB GLN A 9 4.946 -11.397 4.751 1.00 0.00 C ATOM 147 CG GLN A 9 6.401 -11.790 4.487 1.00 0.00 C ATOM 148 CD GLN A 9 6.492 -13.214 3.934 1.00 0.00 C ATOM 149 OE1 GLN A 9 6.007 -13.522 2.858 1.00 0.00 O ATOM 150 NE2 GLN A 9 7.139 -14.061 4.728 1.00 0.00 N ATOM 0 H GLN A 9 5.205 -9.705 6.581 1.00 0.00 H new ATOM 0 HA GLN A 9 5.375 -9.593 3.721 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.669 -11.675 5.768 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.289 -11.950 4.080 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.847 -11.092 3.779 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.975 -11.717 5.411 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.521 -13.737 5.617 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.254 -15.035 4.449 1.00 0.00 H new ATOM 159 N MET A 10 2.491 -9.202 5.235 1.00 0.00 N ATOM 160 CA MET A 10 1.088 -8.877 5.044 1.00 0.00 C ATOM 161 C MET A 10 0.969 -7.458 4.486 1.00 0.00 C ATOM 162 O MET A 10 0.110 -7.235 3.620 1.00 0.00 O ATOM 163 CB MET A 10 0.335 -8.969 6.373 1.00 0.00 C ATOM 164 CG MET A 10 0.797 -10.183 7.182 1.00 0.00 C ATOM 165 SD MET A 10 -0.641 -11.130 7.760 1.00 0.00 S ATOM 166 CE MET A 10 -0.105 -11.517 9.452 1.00 0.00 C ATOM 0 H MET A 10 2.813 -9.117 6.199 1.00 0.00 H new ATOM 0 HA MET A 10 0.651 -9.588 4.343 1.00 0.00 H new ATOM 0 HB2 MET A 10 0.497 -8.059 6.951 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.736 -9.040 6.184 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.437 -10.817 6.568 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.394 -9.857 8.034 1.00 0.00 H new ATOM 0 HE1 MET A 10 -0.877 -12.100 9.954 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.820 -12.093 9.418 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.065 -10.591 10.001 1.00 0.00 H new ATOM 176 N LEU A 11 1.817 -6.541 4.986 1.00 0.00 N ATOM 177 CA LEU A 11 1.806 -5.158 4.540 1.00 0.00 C ATOM 178 C LEU A 11 2.504 -5.060 3.181 1.00 0.00 C ATOM 179 O LEU A 11 2.185 -4.134 2.421 1.00 0.00 O ATOM 180 CB LEU A 11 2.410 -4.246 5.609 1.00 0.00 C ATOM 181 CG LEU A 11 1.776 -4.331 7.000 1.00 0.00 C ATOM 182 CD1 LEU A 11 2.494 -3.409 7.986 1.00 0.00 C ATOM 183 CD2 LEU A 11 0.276 -4.043 6.936 1.00 0.00 C ATOM 0 H LEU A 11 2.516 -6.745 5.700 1.00 0.00 H new ATOM 0 HA LEU A 11 0.783 -4.811 4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.471 -4.479 5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.339 -3.215 5.261 1.00 0.00 H new ATOM 0 HG LEU A 11 1.893 -5.350 7.368 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.024 -3.488 8.966 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.541 -3.701 8.061 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.429 -2.379 7.635 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.150 -4.110 7.937 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.115 -3.041 6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.207 -4.773 6.286 1.00 0.00 H new ATOM 195 N LYS A 12 3.426 -5.999 2.908 1.00 0.00 N ATOM 196 CA LYS A 12 4.159 -6.016 1.654 1.00 0.00 C ATOM 197 C LYS A 12 3.251 -6.551 0.545 1.00 0.00 C ATOM 198 O LYS A 12 3.408 -6.118 -0.606 1.00 0.00 O ATOM 199 CB LYS A 12 5.466 -6.797 1.808 1.00 0.00 C ATOM 200 CG LYS A 12 6.291 -6.744 0.521 1.00 0.00 C ATOM 201 CD LYS A 12 7.790 -6.726 0.831 1.00 0.00 C ATOM 202 CE LYS A 12 8.343 -8.147 0.942 1.00 0.00 C ATOM 203 NZ LYS A 12 8.248 -8.840 -0.353 1.00 0.00 N ATOM 0 H LYS A 12 3.674 -6.753 3.548 1.00 0.00 H new ATOM 0 HA LYS A 12 4.450 -5.005 1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.046 -6.384 2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.246 -7.834 2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.055 -7.607 -0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.023 -5.855 -0.050 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.321 -6.185 0.047 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.966 -6.189 1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.383 -8.114 1.268 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.788 -8.701 1.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.389 -9.427 -0.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.204 -8.139 -1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.083 -9.445 -0.485 1.00 0.00 H new ATOM 217 N LEU A 13 2.333 -7.465 0.906 1.00 0.00 N ATOM 218 CA LEU A 13 1.411 -8.051 -0.052 1.00 0.00 C ATOM 219 C LEU A 13 0.318 -7.034 -0.389 1.00 0.00 C ATOM 220 O LEU A 13 -0.058 -6.941 -1.566 1.00 0.00 O ATOM 221 CB LEU A 13 0.870 -9.384 0.471 1.00 0.00 C ATOM 222 CG LEU A 13 0.398 -10.379 -0.591 1.00 0.00 C ATOM 223 CD1 LEU A 13 -0.587 -11.387 0.003 1.00 0.00 C ATOM 224 CD2 LEU A 13 -0.187 -9.651 -1.803 1.00 0.00 C ATOM 0 H LEU A 13 2.219 -7.807 1.860 1.00 0.00 H new ATOM 0 HA LEU A 13 1.927 -8.286 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.648 -9.861 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.037 -9.177 1.142 1.00 0.00 H new ATOM 0 HG LEU A 13 1.263 -10.942 -0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.907 -12.083 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.102 -11.939 0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.455 -10.859 0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.515 -10.381 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.038 -9.046 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.574 -9.006 -2.242 1.00 0.00 H new ATOM 236 N ASP A 14 -0.160 -6.303 0.634 1.00 0.00 N ATOM 237 CA ASP A 14 -1.199 -5.305 0.447 1.00 0.00 C ATOM 238 C ASP A 14 -0.650 -4.159 -0.406 1.00 0.00 C ATOM 239 O ASP A 14 -1.427 -3.568 -1.170 1.00 0.00 O ATOM 240 CB ASP A 14 -1.650 -4.722 1.788 1.00 0.00 C ATOM 241 CG ASP A 14 -3.162 -4.535 1.936 1.00 0.00 C ATOM 242 OD1 ASP A 14 -3.813 -5.601 2.262 1.00 0.00 O ATOM 243 OD2 ASP A 14 -3.690 -3.429 1.751 1.00 0.00 O ATOM 0 H ASP A 14 0.165 -6.394 1.596 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.047 -5.787 -0.040 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.300 -5.375 2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.164 -3.757 1.929 1.00 0.00 H new ATOM 248 N ASN A 15 0.656 -3.872 -0.261 1.00 0.00 N ATOM 249 CA ASN A 15 1.299 -2.808 -1.012 1.00 0.00 C ATOM 250 C ASN A 15 1.249 -3.141 -2.505 1.00 0.00 C ATOM 251 O ASN A 15 0.864 -2.264 -3.293 1.00 0.00 O ATOM 252 CB ASN A 15 2.768 -2.660 -0.610 1.00 0.00 C ATOM 253 CG ASN A 15 3.282 -1.252 -0.923 1.00 0.00 C ATOM 254 OD1 ASN A 15 3.747 -0.961 -2.013 1.00 0.00 O ATOM 255 ND2 ASN A 15 3.174 -0.399 0.091 1.00 0.00 N ATOM 0 H ASN A 15 1.279 -4.371 0.375 1.00 0.00 H new ATOM 0 HA ASN A 15 0.771 -1.878 -0.799 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.880 -2.864 0.455 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.370 -3.397 -1.141 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.490 0.565 -0.017 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.775 -0.708 0.977 1.00 0.00 H new ATOM 262 N TYR A 16 1.632 -4.381 -2.858 1.00 0.00 N ATOM 263 CA TYR A 16 1.611 -4.759 -4.261 1.00 0.00 C ATOM 264 C TYR A 16 0.175 -4.684 -4.784 1.00 0.00 C ATOM 265 O TYR A 16 -0.002 -4.298 -5.949 1.00 0.00 O ATOM 266 CB TYR A 16 2.214 -6.164 -4.440 1.00 0.00 C ATOM 267 CG TYR A 16 3.563 -6.363 -3.762 1.00 0.00 C ATOM 268 CD1 TYR A 16 4.513 -5.316 -3.757 1.00 0.00 C ATOM 269 CD2 TYR A 16 3.872 -7.589 -3.130 1.00 0.00 C ATOM 270 CE1 TYR A 16 5.764 -5.495 -3.129 1.00 0.00 C ATOM 271 CE2 TYR A 16 5.123 -7.768 -2.502 1.00 0.00 C ATOM 272 CZ TYR A 16 6.070 -6.720 -2.500 1.00 0.00 C ATOM 273 OH TYR A 16 7.282 -6.890 -1.893 1.00 0.00 O ATOM 0 H TYR A 16 1.946 -5.105 -2.212 1.00 0.00 H new ATOM 0 HA TYR A 16 2.221 -4.067 -4.842 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.512 -6.900 -4.047 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.324 -6.365 -5.506 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.281 -4.376 -4.235 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.149 -8.391 -3.128 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.488 -4.693 -3.130 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.357 -8.707 -2.022 1.00 0.00 H new ATOM 0 HH TYR A 16 7.896 -6.184 -2.184 1.00 0.00 H new ATOM 283 N HIS A 17 -0.802 -5.055 -3.938 1.00 0.00 N ATOM 284 CA HIS A 17 -2.203 -5.037 -4.324 1.00 0.00 C ATOM 285 C HIS A 17 -2.678 -3.586 -4.435 1.00 0.00 C ATOM 286 O HIS A 17 -3.515 -3.306 -5.305 1.00 0.00 O ATOM 287 CB HIS A 17 -3.049 -5.864 -3.355 1.00 0.00 C ATOM 288 CG HIS A 17 -4.248 -5.130 -2.804 1.00 0.00 C ATOM 289 ND1 HIS A 17 -5.454 -5.050 -3.480 1.00 0.00 N ATOM 290 CD2 HIS A 17 -4.415 -4.444 -1.637 1.00 0.00 C ATOM 291 CE1 HIS A 17 -6.300 -4.346 -2.743 1.00 0.00 C ATOM 292 NE2 HIS A 17 -5.654 -3.970 -1.602 1.00 0.00 N ATOM 0 H HIS A 17 -0.635 -5.370 -2.982 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.322 -5.504 -5.302 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.390 -6.765 -3.865 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.421 -6.187 -2.525 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.666 -4.309 -0.871 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.322 -4.111 -3.000 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.057 -3.416 -0.846 1.00 0.00 H new ATOM 300 N LEU A 18 -2.143 -2.709 -3.567 1.00 0.00 N ATOM 301 CA LEU A 18 -2.509 -1.303 -3.569 1.00 0.00 C ATOM 302 C LEU A 18 -1.823 -0.604 -4.743 1.00 0.00 C ATOM 303 O LEU A 18 -2.489 0.184 -5.432 1.00 0.00 O ATOM 304 CB LEU A 18 -2.204 -0.669 -2.211 1.00 0.00 C ATOM 305 CG LEU A 18 -3.118 -1.084 -1.056 1.00 0.00 C ATOM 306 CD1 LEU A 18 -2.495 -0.719 0.293 1.00 0.00 C ATOM 307 CD2 LEU A 18 -4.517 -0.488 -1.222 1.00 0.00 C ATOM 0 H LEU A 18 -1.455 -2.962 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.583 -1.188 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.177 -0.913 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.256 0.414 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.226 -2.168 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.164 -1.024 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.539 -1.231 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.338 0.358 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.146 -0.799 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.449 0.600 -1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.954 -0.840 -2.157 1.00 0.00 H new ATOM 319 N GLU A 19 -0.527 -0.898 -4.945 1.00 0.00 N ATOM 320 CA GLU A 19 0.239 -0.301 -6.026 1.00 0.00 C ATOM 321 C GLU A 19 -0.317 -0.783 -7.368 1.00 0.00 C ATOM 322 O GLU A 19 -0.337 0.012 -8.317 1.00 0.00 O ATOM 323 CB GLU A 19 1.730 -0.623 -5.903 1.00 0.00 C ATOM 324 CG GLU A 19 2.580 0.639 -6.063 1.00 0.00 C ATOM 325 CD GLU A 19 2.524 1.501 -4.800 1.00 0.00 C ATOM 326 OE1 GLU A 19 1.609 1.169 -3.954 1.00 0.00 O ATOM 327 OE2 GLU A 19 3.323 2.437 -4.652 1.00 0.00 O ATOM 0 H GLU A 19 0.003 -1.549 -4.366 1.00 0.00 H new ATOM 0 HA GLU A 19 0.142 0.783 -5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.928 -1.078 -4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.011 -1.354 -6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.613 0.362 -6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.225 1.215 -6.917 1.00 0.00 H new ATOM 334 N ASN A 20 -0.751 -2.055 -7.416 1.00 0.00 N ATOM 335 CA ASN A 20 -1.301 -2.635 -8.630 1.00 0.00 C ATOM 336 C ASN A 20 -2.639 -1.963 -8.949 1.00 0.00 C ATOM 337 O ASN A 20 -2.999 -1.901 -10.134 1.00 0.00 O ATOM 338 CB ASN A 20 -1.555 -4.134 -8.459 1.00 0.00 C ATOM 339 CG ASN A 20 -0.341 -4.950 -8.912 1.00 0.00 C ATOM 340 OD1 ASN A 20 0.488 -4.501 -9.685 1.00 0.00 O ATOM 341 ND2 ASN A 20 -0.284 -6.170 -8.386 1.00 0.00 N ATOM 0 H ASN A 20 -0.727 -2.693 -6.621 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.581 -2.481 -9.434 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.776 -4.353 -7.414 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.431 -4.427 -9.038 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.488 -6.792 -8.624 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.012 -6.483 -7.744 1.00 0.00 H new ATOM 348 N GLU A 21 -3.336 -1.483 -7.904 1.00 0.00 N ATOM 349 CA GLU A 21 -4.619 -0.824 -8.072 1.00 0.00 C ATOM 350 C GLU A 21 -4.390 0.646 -8.427 1.00 0.00 C ATOM 351 O GLU A 21 -5.146 1.179 -9.253 1.00 0.00 O ATOM 352 CB GLU A 21 -5.488 -0.956 -6.819 1.00 0.00 C ATOM 353 CG GLU A 21 -6.947 -1.230 -7.190 1.00 0.00 C ATOM 354 CD GLU A 21 -7.831 -1.273 -5.942 1.00 0.00 C ATOM 355 OE1 GLU A 21 -7.333 -1.077 -4.823 1.00 0.00 O ATOM 356 OE2 GLU A 21 -9.077 -1.520 -6.165 1.00 0.00 O ATOM 0 H GLU A 21 -3.021 -1.545 -6.936 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.158 -1.311 -8.885 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.110 -1.765 -6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.424 -0.041 -6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.305 -0.455 -7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.019 -2.178 -7.724 1.00 0.00 H new ATOM 363 N VAL A 22 -3.368 1.264 -7.808 1.00 0.00 N ATOM 364 CA VAL A 22 -3.045 2.659 -8.057 1.00 0.00 C ATOM 365 C VAL A 22 -2.315 2.777 -9.396 1.00 0.00 C ATOM 366 O VAL A 22 -2.582 3.739 -10.131 1.00 0.00 O ATOM 367 CB VAL A 22 -2.241 3.227 -6.886 1.00 0.00 C ATOM 368 CG1 VAL A 22 -1.647 4.591 -7.240 1.00 0.00 C ATOM 369 CG2 VAL A 22 -3.100 3.314 -5.622 1.00 0.00 C ATOM 0 H VAL A 22 -2.756 0.807 -7.131 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.955 3.255 -8.129 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.416 2.544 -6.684 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.080 4.973 -6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.986 4.488 -8.100 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.451 5.286 -7.482 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.505 3.721 -4.805 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.955 3.965 -5.807 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.453 2.319 -5.353 1.00 0.00 H new ATOM 379 N ALA A 23 -1.423 1.812 -9.684 1.00 0.00 N ATOM 380 CA ALA A 23 -0.664 1.808 -10.922 1.00 0.00 C ATOM 381 C ALA A 23 -1.618 1.591 -12.098 1.00 0.00 C ATOM 382 O ALA A 23 -1.249 1.941 -13.229 1.00 0.00 O ATOM 383 CB ALA A 23 0.304 0.624 -10.930 1.00 0.00 C ATOM 0 H ALA A 23 -1.218 1.027 -9.065 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.131 2.756 -11.003 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.872 0.624 -11.861 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.989 0.709 -10.087 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.258 -0.306 -10.848 1.00 0.00 H new ATOM 389 N ARG A 24 -2.805 1.026 -11.815 1.00 0.00 N ATOM 390 CA ARG A 24 -3.799 0.766 -12.843 1.00 0.00 C ATOM 391 C ARG A 24 -4.736 1.970 -12.956 1.00 0.00 C ATOM 392 O ARG A 24 -5.249 2.215 -14.058 1.00 0.00 O ATOM 393 CB ARG A 24 -4.623 -0.484 -12.526 1.00 0.00 C ATOM 394 CG ARG A 24 -3.958 -1.738 -13.097 1.00 0.00 C ATOM 395 CD ARG A 24 -4.683 -3.003 -12.632 1.00 0.00 C ATOM 396 NE ARG A 24 -5.028 -3.846 -13.799 1.00 0.00 N ATOM 397 CZ ARG A 24 -6.127 -3.668 -14.563 1.00 0.00 C ATOM 398 NH1 ARG A 24 -6.971 -2.671 -14.263 1.00 0.00 N ATOM 399 NH2 ARG A 24 -6.370 -4.475 -15.604 1.00 0.00 N ATOM 0 H ARG A 24 -3.089 0.744 -10.877 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.276 0.599 -13.785 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.734 -0.586 -11.447 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.625 -0.378 -12.941 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.961 -1.692 -14.186 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.915 -1.776 -12.783 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.050 -3.562 -11.943 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.588 -2.734 -12.087 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.396 -4.609 -14.041 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.778 -2.061 -13.468 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.806 -2.522 -14.829 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.722 -5.231 -15.825 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.203 -4.333 -16.176 1.00 0.00 H new ATOM 413 N LEU A 25 -4.937 2.685 -11.835 1.00 0.00 N ATOM 414 CA LEU A 25 -5.803 3.851 -11.810 1.00 0.00 C ATOM 415 C LEU A 25 -5.023 5.072 -12.302 1.00 0.00 C ATOM 416 O LEU A 25 -5.624 5.926 -12.970 1.00 0.00 O ATOM 417 CB LEU A 25 -6.418 4.033 -10.421 1.00 0.00 C ATOM 418 CG LEU A 25 -7.523 3.045 -10.041 1.00 0.00 C ATOM 419 CD1 LEU A 25 -7.895 3.180 -8.564 1.00 0.00 C ATOM 420 CD2 LEU A 25 -8.739 3.207 -10.955 1.00 0.00 C ATOM 0 H LEU A 25 -4.505 2.465 -10.938 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.644 3.715 -12.490 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.622 3.959 -9.680 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.822 5.043 -10.354 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.143 2.034 -10.186 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.682 2.467 -8.320 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.019 2.978 -7.948 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.249 4.192 -8.369 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.510 2.494 -10.664 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.130 4.221 -10.865 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.445 3.022 -11.988 1.00 0.00 H new ATOM 432 N LYS A 26 -3.721 5.129 -11.968 1.00 0.00 N ATOM 433 CA LYS A 26 -2.870 6.235 -12.372 1.00 0.00 C ATOM 434 C LYS A 26 -2.882 6.350 -13.898 1.00 0.00 C ATOM 435 O LYS A 26 -2.665 7.459 -14.408 1.00 0.00 O ATOM 436 CB LYS A 26 -1.469 6.078 -11.779 1.00 0.00 C ATOM 437 CG LYS A 26 -1.251 7.058 -10.623 1.00 0.00 C ATOM 438 CD LYS A 26 -2.485 7.125 -9.720 1.00 0.00 C ATOM 439 CE LYS A 26 -3.305 8.385 -10.006 1.00 0.00 C ATOM 440 NZ LYS A 26 -3.240 9.311 -8.864 1.00 0.00 N ATOM 0 H LYS A 26 -3.245 4.414 -11.418 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.254 7.175 -11.977 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.332 5.056 -11.425 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.721 6.250 -12.553 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.385 6.749 -10.038 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.031 8.050 -11.019 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.103 6.241 -9.877 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.176 7.117 -8.675 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.927 8.876 -10.903 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.342 8.114 -10.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.379 10.286 -9.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.985 9.071 -8.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.310 9.232 -8.406 1.00 0.00 H new ATOM 454 N LYS A 27 -3.131 5.220 -14.586 1.00 0.00 N ATOM 455 CA LYS A 27 -3.169 5.196 -16.038 1.00 0.00 C ATOM 456 C LYS A 27 -4.506 5.763 -16.519 1.00 0.00 C ATOM 457 O LYS A 27 -4.623 6.062 -17.716 1.00 0.00 O ATOM 458 CB LYS A 27 -2.876 3.787 -16.557 1.00 0.00 C ATOM 459 CG LYS A 27 -1.944 3.832 -17.769 1.00 0.00 C ATOM 460 CD LYS A 27 -2.570 3.116 -18.969 1.00 0.00 C ATOM 461 CE LYS A 27 -2.472 1.598 -18.814 1.00 0.00 C ATOM 462 NZ LYS A 27 -2.632 1.212 -17.402 1.00 0.00 N ATOM 0 H LYS A 27 -3.308 4.316 -14.147 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.386 5.833 -16.450 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.421 3.191 -15.766 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.809 3.295 -16.830 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.731 4.869 -18.030 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.992 3.364 -17.518 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.616 3.408 -19.066 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.066 3.425 -19.885 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.240 1.115 -19.418 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.508 1.250 -19.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.614 0.175 -17.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.855 1.617 -16.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.540 1.571 -17.045 1.00 0.00 H new ATOM 476 N LEU A 28 -5.470 5.898 -15.591 1.00 0.00 N ATOM 477 CA LEU A 28 -6.785 6.425 -15.918 1.00 0.00 C ATOM 478 C LEU A 28 -6.920 7.838 -15.349 1.00 0.00 C ATOM 479 O LEU A 28 -7.593 8.667 -15.979 1.00 0.00 O ATOM 480 CB LEU A 28 -7.879 5.465 -15.447 1.00 0.00 C ATOM 481 CG LEU A 28 -8.948 5.108 -16.480 1.00 0.00 C ATOM 482 CD1 LEU A 28 -8.529 3.889 -17.304 1.00 0.00 C ATOM 483 CD2 LEU A 28 -10.310 4.907 -15.813 1.00 0.00 C ATOM 0 H LEU A 28 -5.352 5.646 -14.610 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.906 6.504 -16.998 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.405 4.543 -15.110 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.372 5.905 -14.580 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.048 5.945 -17.171 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.307 3.656 -18.031 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.597 4.106 -17.826 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.384 3.035 -16.642 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.052 4.654 -16.570 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.243 4.098 -15.086 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.607 5.826 -15.307 1.00 0.00 H new ATOM 495 N VAL A 29 -6.286 8.082 -14.187 1.00 0.00 N ATOM 496 CA VAL A 29 -6.336 9.383 -13.542 1.00 0.00 C ATOM 497 C VAL A 29 -4.958 10.043 -13.629 1.00 0.00 C ATOM 498 O VAL A 29 -4.869 11.152 -14.177 1.00 0.00 O ATOM 499 CB VAL A 29 -6.838 9.236 -12.104 1.00 0.00 C ATOM 500 CG1 VAL A 29 -7.234 10.593 -11.520 1.00 0.00 C ATOM 501 CG2 VAL A 29 -8.001 8.245 -12.029 1.00 0.00 C ATOM 0 H VAL A 29 -5.735 7.386 -13.684 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.043 10.036 -14.054 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.021 8.839 -11.502 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.587 10.460 -10.497 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.369 11.256 -11.522 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.028 11.031 -12.124 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.339 8.159 -10.996 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.822 8.600 -12.651 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.671 7.269 -12.386 1.00 0.00 H new ATOM 511 N GLY A 30 -3.928 9.361 -13.098 1.00 0.00 N ATOM 512 CA GLY A 30 -2.571 9.877 -13.116 1.00 0.00 C ATOM 513 C GLY A 30 -2.115 10.052 -14.566 1.00 0.00 C ATOM 514 O GLY A 30 -0.955 10.434 -14.777 1.00 0.00 O ATOM 0 H GLY A 30 -4.023 8.449 -12.652 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.526 10.831 -12.591 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.903 9.193 -12.593 1.00 0.00 H new ATOM 518 N GLU A 31 -3.022 9.773 -15.519 1.00 0.00 N ATOM 519 CA GLU A 31 -2.715 9.899 -16.934 1.00 0.00 C ATOM 520 C GLU A 31 -1.946 11.200 -17.171 1.00 0.00 C ATOM 521 O GLU A 31 -2.059 12.112 -16.339 1.00 0.00 O ATOM 522 CB GLU A 31 -3.981 9.846 -17.791 1.00 0.00 C ATOM 523 CG GLU A 31 -5.215 10.230 -16.970 1.00 0.00 C ATOM 524 CD GLU A 31 -6.471 10.247 -17.843 1.00 0.00 C ATOM 525 OE1 GLU A 31 -6.468 9.401 -18.818 1.00 0.00 O ATOM 526 OE2 GLU A 31 -7.392 11.036 -17.588 1.00 0.00 O ATOM 0 H GLU A 31 -3.972 9.459 -15.323 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.094 9.055 -17.233 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.879 10.523 -18.639 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.108 8.843 -18.197 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.346 9.522 -16.152 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.066 11.212 -16.521 1.00 0.00 H new ATOM 533 N ARG A 32 -1.191 11.260 -18.282 1.00 0.00 N ATOM 534 CA ARG A 32 -0.413 12.439 -18.622 1.00 0.00 C ATOM 535 C ARG A 32 -0.940 13.035 -19.929 1.00 0.00 C ATOM 536 O ARG A 32 -1.651 12.365 -20.676 1.00 0.00 O ATOM 537 CB ARG A 32 1.072 12.107 -18.784 1.00 0.00 C ATOM 538 CG ARG A 32 1.270 10.625 -19.110 1.00 0.00 C ATOM 539 CD ARG A 32 2.651 10.144 -18.659 1.00 0.00 C ATOM 540 NE ARG A 32 3.632 11.246 -18.770 1.00 0.00 N ATOM 541 CZ ARG A 32 4.942 11.069 -19.047 1.00 0.00 C ATOM 542 NH1 ARG A 32 5.403 9.825 -19.235 1.00 0.00 N ATOM 543 NH2 ARG A 32 5.768 12.120 -19.131 1.00 0.00 N ATOM 0 H ARG A 32 -1.111 10.497 -18.954 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.515 13.156 -17.807 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.500 12.718 -19.578 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.606 12.356 -17.867 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.497 10.034 -18.618 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.158 10.467 -20.183 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.604 9.791 -17.629 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.969 9.300 -19.271 1.00 0.00 H new ATOM 0 HE ARG A 32 3.298 12.199 -18.628 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.767 9.030 -19.168 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.389 9.673 -19.445 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.409 13.064 -18.985 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.756 11.977 -19.341 1.00 0.00 H new ATOM 558 N MET B 1 16.271 -6.719 12.483 1.00 0.00 N ATOM 559 CA MET B 1 15.071 -6.580 13.290 1.00 0.00 C ATOM 560 C MET B 1 14.800 -5.095 13.540 1.00 0.00 C ATOM 561 O MET B 1 13.637 -4.679 13.423 1.00 0.00 O ATOM 562 CB MET B 1 15.243 -7.299 14.629 1.00 0.00 C ATOM 563 CG MET B 1 13.928 -7.941 15.078 1.00 0.00 C ATOM 564 SD MET B 1 13.787 -7.865 16.888 1.00 0.00 S ATOM 565 CE MET B 1 12.460 -9.077 17.152 1.00 0.00 C ATOM 0 H1 MET B 1 16.375 -7.709 12.183 1.00 0.00 H new ATOM 0 H2 MET B 1 16.198 -6.109 11.644 1.00 0.00 H new ATOM 0 H3 MET B 1 17.101 -6.438 13.044 1.00 0.00 H new ATOM 0 HA MET B 1 14.231 -7.026 12.757 1.00 0.00 H new ATOM 0 HB2 MET B 1 16.014 -8.065 14.539 1.00 0.00 H new ATOM 0 HB3 MET B 1 15.584 -6.591 15.385 1.00 0.00 H new ATOM 0 HG2 MET B 1 13.086 -7.425 14.617 1.00 0.00 H new ATOM 0 HG3 MET B 1 13.887 -8.978 14.745 1.00 0.00 H new ATOM 0 HE1 MET B 1 12.039 -8.944 18.148 1.00 0.00 H new ATOM 0 HE2 MET B 1 11.680 -8.930 16.405 1.00 0.00 H new ATOM 0 HE3 MET B 1 12.865 -10.085 17.061 1.00 0.00 H new ATOM 575 N ASP B 2 15.860 -4.336 13.872 1.00 0.00 N ATOM 576 CA ASP B 2 15.736 -2.912 14.134 1.00 0.00 C ATOM 577 C ASP B 2 15.045 -2.238 12.948 1.00 0.00 C ATOM 578 O ASP B 2 14.278 -1.290 13.173 1.00 0.00 O ATOM 579 CB ASP B 2 17.110 -2.263 14.312 1.00 0.00 C ATOM 580 CG ASP B 2 18.170 -3.158 14.960 1.00 0.00 C ATOM 581 OD1 ASP B 2 18.885 -3.902 14.271 1.00 0.00 O ATOM 582 OD2 ASP B 2 18.245 -3.071 16.244 1.00 0.00 O ATOM 0 H ASP B 2 16.810 -4.697 13.962 1.00 0.00 H new ATOM 0 HA ASP B 2 15.157 -2.787 15.049 1.00 0.00 H new ATOM 0 HB2 ASP B 2 17.474 -1.944 13.335 1.00 0.00 H new ATOM 0 HB3 ASP B 2 16.995 -1.365 14.918 1.00 0.00 H new ATOM 587 N ALA B 3 15.324 -2.730 11.728 1.00 0.00 N ATOM 588 CA ALA B 3 14.733 -2.178 10.521 1.00 0.00 C ATOM 589 C ALA B 3 13.421 -2.907 10.221 1.00 0.00 C ATOM 590 O ALA B 3 12.638 -2.400 9.404 1.00 0.00 O ATOM 591 CB ALA B 3 15.654 -2.446 9.328 1.00 0.00 C ATOM 0 H ALA B 3 15.959 -3.511 11.564 1.00 0.00 H new ATOM 0 HA ALA B 3 14.576 -1.110 10.671 1.00 0.00 H new ATOM 0 HB1 ALA B 3 15.208 -2.031 8.424 1.00 0.00 H new ATOM 0 HB2 ALA B 3 16.622 -1.977 9.503 1.00 0.00 H new ATOM 0 HB3 ALA B 3 15.788 -3.521 9.206 1.00 0.00 H new ATOM 597 N ILE B 4 13.211 -4.061 10.878 1.00 0.00 N ATOM 598 CA ILE B 4 12.004 -4.848 10.684 1.00 0.00 C ATOM 599 C ILE B 4 10.841 -4.182 11.421 1.00 0.00 C ATOM 600 O ILE B 4 9.763 -4.047 10.824 1.00 0.00 O ATOM 601 CB ILE B 4 12.242 -6.302 11.096 1.00 0.00 C ATOM 602 CG1 ILE B 4 13.330 -6.946 10.234 1.00 0.00 C ATOM 603 CG2 ILE B 4 10.937 -7.101 11.063 1.00 0.00 C ATOM 604 CD1 ILE B 4 12.897 -8.331 9.748 1.00 0.00 C ATOM 0 H ILE B 4 13.869 -4.461 11.547 1.00 0.00 H new ATOM 0 HA ILE B 4 11.735 -4.879 9.628 1.00 0.00 H new ATOM 0 HB ILE B 4 12.600 -6.311 12.125 1.00 0.00 H new ATOM 0 HG12 ILE B 4 13.546 -6.307 9.378 1.00 0.00 H new ATOM 0 HG13 ILE B 4 14.252 -7.030 10.809 1.00 0.00 H new ATOM 0 HG21 ILE B 4 11.134 -8.131 11.360 1.00 0.00 H new ATOM 0 HG22 ILE B 4 10.220 -6.655 11.752 1.00 0.00 H new ATOM 0 HG23 ILE B 4 10.527 -7.086 10.053 1.00 0.00 H new ATOM 0 HD11 ILE B 4 13.688 -8.766 9.138 1.00 0.00 H new ATOM 0 HD12 ILE B 4 12.705 -8.974 10.607 1.00 0.00 H new ATOM 0 HD13 ILE B 4 11.988 -8.240 9.153 1.00 0.00 H new ATOM 616 N LYS B 5 11.078 -3.785 12.685 1.00 0.00 N ATOM 617 CA LYS B 5 10.056 -3.140 13.493 1.00 0.00 C ATOM 618 C LYS B 5 9.520 -1.917 12.747 1.00 0.00 C ATOM 619 O LYS B 5 8.328 -1.611 12.897 1.00 0.00 O ATOM 620 CB LYS B 5 10.599 -2.822 14.887 1.00 0.00 C ATOM 621 CG LYS B 5 12.121 -2.666 14.861 1.00 0.00 C ATOM 622 CD LYS B 5 12.590 -1.680 15.933 1.00 0.00 C ATOM 623 CE LYS B 5 12.953 -2.410 17.228 1.00 0.00 C ATOM 624 NZ LYS B 5 12.721 -1.541 18.393 1.00 0.00 N ATOM 0 H LYS B 5 11.973 -3.905 13.159 1.00 0.00 H new ATOM 0 HA LYS B 5 9.212 -3.812 13.650 1.00 0.00 H new ATOM 0 HB2 LYS B 5 10.142 -1.905 15.258 1.00 0.00 H new ATOM 0 HB3 LYS B 5 10.323 -3.618 15.579 1.00 0.00 H new ATOM 0 HG2 LYS B 5 12.592 -3.636 15.023 1.00 0.00 H new ATOM 0 HG3 LYS B 5 12.438 -2.318 13.878 1.00 0.00 H new ATOM 0 HD2 LYS B 5 13.455 -1.126 15.569 1.00 0.00 H new ATOM 0 HD3 LYS B 5 11.804 -0.951 16.130 1.00 0.00 H new ATOM 0 HE2 LYS B 5 12.357 -3.318 17.320 1.00 0.00 H new ATOM 0 HE3 LYS B 5 13.998 -2.717 17.198 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 12.973 -2.052 19.263 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 13.308 -0.687 18.311 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 11.718 -1.269 18.429 1.00 0.00 H new ATOM 638 N LYS B 6 10.395 -1.251 11.974 1.00 0.00 N ATOM 639 CA LYS B 6 10.011 -0.073 11.214 1.00 0.00 C ATOM 640 C LYS B 6 9.498 -0.503 9.839 1.00 0.00 C ATOM 641 O LYS B 6 8.690 0.233 9.254 1.00 0.00 O ATOM 642 CB LYS B 6 11.169 0.926 11.153 1.00 0.00 C ATOM 643 CG LYS B 6 12.043 0.830 12.406 1.00 0.00 C ATOM 644 CD LYS B 6 12.615 2.198 12.780 1.00 0.00 C ATOM 645 CE LYS B 6 13.207 2.899 11.555 1.00 0.00 C ATOM 646 NZ LYS B 6 14.674 2.961 11.655 1.00 0.00 N ATOM 0 H LYS B 6 11.373 -1.518 11.866 1.00 0.00 H new ATOM 0 HA LYS B 6 9.194 0.450 11.710 1.00 0.00 H new ATOM 0 HB2 LYS B 6 11.774 0.733 10.267 1.00 0.00 H new ATOM 0 HB3 LYS B 6 10.776 1.938 11.056 1.00 0.00 H new ATOM 0 HG2 LYS B 6 11.454 0.439 13.236 1.00 0.00 H new ATOM 0 HG3 LYS B 6 12.857 0.126 12.233 1.00 0.00 H new ATOM 0 HD2 LYS B 6 11.830 2.818 13.214 1.00 0.00 H new ATOM 0 HD3 LYS B 6 13.385 2.078 13.542 1.00 0.00 H new ATOM 0 HE2 LYS B 6 12.921 2.365 10.649 1.00 0.00 H new ATOM 0 HE3 LYS B 6 12.799 3.907 11.473 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 15.059 3.440 10.816 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 14.942 3.491 12.509 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 15.059 1.997 11.711 1.00 0.00 H new ATOM 660 N LYS B 7 9.968 -1.668 9.357 1.00 0.00 N ATOM 661 CA LYS B 7 9.558 -2.187 8.063 1.00 0.00 C ATOM 662 C LYS B 7 8.034 -2.326 8.033 1.00 0.00 C ATOM 663 O LYS B 7 7.420 -1.865 7.060 1.00 0.00 O ATOM 664 CB LYS B 7 10.300 -3.489 7.749 1.00 0.00 C ATOM 665 CG LYS B 7 9.930 -4.009 6.359 1.00 0.00 C ATOM 666 CD LYS B 7 9.923 -2.874 5.333 1.00 0.00 C ATOM 667 CE LYS B 7 9.820 -3.425 3.908 1.00 0.00 C ATOM 668 NZ LYS B 7 9.341 -2.382 2.987 1.00 0.00 N ATOM 0 H LYS B 7 10.633 -2.260 9.854 1.00 0.00 H new ATOM 0 HA LYS B 7 9.831 -1.491 7.270 1.00 0.00 H new ATOM 0 HB2 LYS B 7 11.376 -3.321 7.804 1.00 0.00 H new ATOM 0 HB3 LYS B 7 10.056 -4.241 8.499 1.00 0.00 H new ATOM 0 HG2 LYS B 7 10.641 -4.776 6.053 1.00 0.00 H new ATOM 0 HG3 LYS B 7 8.947 -4.480 6.393 1.00 0.00 H new ATOM 0 HD2 LYS B 7 9.085 -2.206 5.530 1.00 0.00 H new ATOM 0 HD3 LYS B 7 10.833 -2.282 5.433 1.00 0.00 H new ATOM 0 HE2 LYS B 7 10.794 -3.788 3.581 1.00 0.00 H new ATOM 0 HE3 LYS B 7 9.139 -4.276 3.889 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 8.972 -2.826 2.122 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 8.584 -1.835 3.445 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 10.127 -1.747 2.743 1.00 0.00 H new ATOM 682 N MET B 8 7.465 -2.949 9.081 1.00 0.00 N ATOM 683 CA MET B 8 6.029 -3.145 9.172 1.00 0.00 C ATOM 684 C MET B 8 5.343 -1.787 9.338 1.00 0.00 C ATOM 685 O MET B 8 4.153 -1.683 9.005 1.00 0.00 O ATOM 686 CB MET B 8 5.688 -4.038 10.367 1.00 0.00 C ATOM 687 CG MET B 8 6.354 -3.523 11.644 1.00 0.00 C ATOM 688 SD MET B 8 5.656 -4.369 13.093 1.00 0.00 S ATOM 689 CE MET B 8 4.439 -3.130 13.626 1.00 0.00 C ATOM 0 H MET B 8 7.990 -3.322 9.872 1.00 0.00 H new ATOM 0 HA MET B 8 5.679 -3.629 8.260 1.00 0.00 H new ATOM 0 HB2 MET B 8 4.607 -4.071 10.504 1.00 0.00 H new ATOM 0 HB3 MET B 8 6.015 -5.058 10.168 1.00 0.00 H new ATOM 0 HG2 MET B 8 7.430 -3.692 11.597 1.00 0.00 H new ATOM 0 HG3 MET B 8 6.204 -2.447 11.734 1.00 0.00 H new ATOM 0 HE1 MET B 8 3.916 -3.491 14.511 1.00 0.00 H new ATOM 0 HE2 MET B 8 4.950 -2.196 13.862 1.00 0.00 H new ATOM 0 HE3 MET B 8 3.720 -2.958 12.825 1.00 0.00 H new ATOM 699 N GLN B 9 6.093 -0.791 9.842 1.00 0.00 N ATOM 700 CA GLN B 9 5.560 0.545 10.049 1.00 0.00 C ATOM 701 C GLN B 9 5.679 1.343 8.748 1.00 0.00 C ATOM 702 O GLN B 9 4.930 2.317 8.584 1.00 0.00 O ATOM 703 CB GLN B 9 6.272 1.261 11.198 1.00 0.00 C ATOM 704 CG GLN B 9 5.960 0.592 12.538 1.00 0.00 C ATOM 705 CD GLN B 9 6.309 1.516 13.707 1.00 0.00 C ATOM 706 OE1 GLN B 9 5.523 2.348 14.130 1.00 0.00 O ATOM 707 NE2 GLN B 9 7.528 1.325 14.203 1.00 0.00 N ATOM 0 H GLN B 9 7.071 -0.898 10.111 1.00 0.00 H new ATOM 0 HA GLN B 9 4.509 0.464 10.327 1.00 0.00 H new ATOM 0 HB2 GLN B 9 7.348 1.253 11.025 1.00 0.00 H new ATOM 0 HB3 GLN B 9 5.962 2.306 11.228 1.00 0.00 H new ATOM 0 HG2 GLN B 9 4.903 0.330 12.580 1.00 0.00 H new ATOM 0 HG3 GLN B 9 6.523 -0.338 12.624 1.00 0.00 H new ATOM 0 HE21 GLN B 9 8.136 0.611 13.802 1.00 0.00 H new ATOM 0 HE22 GLN B 9 7.855 1.893 14.985 1.00 0.00 H new ATOM 716 N MET B 10 6.602 0.923 7.865 1.00 0.00 N ATOM 717 CA MET B 10 6.812 1.593 6.594 1.00 0.00 C ATOM 718 C MET B 10 5.744 1.138 5.597 1.00 0.00 C ATOM 719 O MET B 10 5.294 1.968 4.795 1.00 0.00 O ATOM 720 CB MET B 10 8.201 1.263 6.041 1.00 0.00 C ATOM 721 CG MET B 10 9.291 1.602 7.059 1.00 0.00 C ATOM 722 SD MET B 10 10.484 2.761 6.328 1.00 0.00 S ATOM 723 CE MET B 10 12.039 1.910 6.730 1.00 0.00 C ATOM 0 H MET B 10 7.210 0.119 8.020 1.00 0.00 H new ATOM 0 HA MET B 10 6.740 2.670 6.746 1.00 0.00 H new ATOM 0 HB2 MET B 10 8.253 0.204 5.786 1.00 0.00 H new ATOM 0 HB3 MET B 10 8.372 1.821 5.120 1.00 0.00 H new ATOM 0 HG2 MET B 10 8.844 2.042 7.950 1.00 0.00 H new ATOM 0 HG3 MET B 10 9.802 0.692 7.374 1.00 0.00 H new ATOM 0 HE1 MET B 10 12.880 2.490 6.350 1.00 0.00 H new ATOM 0 HE2 MET B 10 12.128 1.807 7.811 1.00 0.00 H new ATOM 0 HE3 MET B 10 12.043 0.922 6.269 1.00 0.00 H new ATOM 733 N LEU B 11 5.366 -0.151 5.669 1.00 0.00 N ATOM 734 CA LEU B 11 4.360 -0.708 4.780 1.00 0.00 C ATOM 735 C LEU B 11 2.971 -0.276 5.253 1.00 0.00 C ATOM 736 O LEU B 11 2.062 -0.190 4.414 1.00 0.00 O ATOM 737 CB LEU B 11 4.527 -2.225 4.666 1.00 0.00 C ATOM 738 CG LEU B 11 5.876 -2.714 4.135 1.00 0.00 C ATOM 739 CD1 LEU B 11 6.022 -4.226 4.317 1.00 0.00 C ATOM 740 CD2 LEU B 11 6.078 -2.290 2.678 1.00 0.00 C ATOM 0 H LEU B 11 5.749 -0.818 6.339 1.00 0.00 H new ATOM 0 HA LEU B 11 4.488 -0.319 3.770 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.366 -2.663 5.651 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.742 -2.609 4.015 1.00 0.00 H new ATOM 0 HG LEU B 11 6.665 -2.242 4.721 1.00 0.00 H new ATOM 0 HD11 LEU B 11 6.990 -4.547 3.931 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.953 -4.473 5.376 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.227 -4.736 3.773 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.044 -2.650 2.325 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.285 -2.715 2.062 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.048 -1.203 2.608 1.00 0.00 H new ATOM 752 N LYS B 12 2.836 -0.018 6.566 1.00 0.00 N ATOM 753 CA LYS B 12 1.570 0.401 7.142 1.00 0.00 C ATOM 754 C LYS B 12 1.341 1.883 6.839 1.00 0.00 C ATOM 755 O LYS B 12 0.196 2.256 6.543 1.00 0.00 O ATOM 756 CB LYS B 12 1.522 0.064 8.634 1.00 0.00 C ATOM 757 CG LYS B 12 0.092 -0.253 9.078 1.00 0.00 C ATOM 758 CD LYS B 12 -0.288 -1.691 8.721 1.00 0.00 C ATOM 759 CE LYS B 12 -0.748 -2.461 9.961 1.00 0.00 C ATOM 760 NZ LYS B 12 0.306 -2.458 10.989 1.00 0.00 N ATOM 0 H LYS B 12 3.597 -0.096 7.240 1.00 0.00 H new ATOM 0 HA LYS B 12 0.745 -0.148 6.688 1.00 0.00 H new ATOM 0 HB2 LYS B 12 2.168 -0.790 8.839 1.00 0.00 H new ATOM 0 HB3 LYS B 12 1.909 0.903 9.213 1.00 0.00 H new ATOM 0 HG2 LYS B 12 0.001 -0.106 10.154 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -0.602 0.439 8.601 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -1.083 -1.686 7.976 1.00 0.00 H new ATOM 0 HD3 LYS B 12 0.567 -2.196 8.272 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -1.656 -2.009 10.361 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -0.996 -3.487 9.688 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 0.093 -3.181 11.706 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 1.223 -2.669 10.546 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 0.347 -1.523 11.442 1.00 0.00 H new ATOM 774 N LEU B 13 2.418 2.686 6.918 1.00 0.00 N ATOM 775 CA LEU B 13 2.335 4.113 6.654 1.00 0.00 C ATOM 776 C LEU B 13 1.970 4.335 5.185 1.00 0.00 C ATOM 777 O LEU B 13 1.144 5.217 4.909 1.00 0.00 O ATOM 778 CB LEU B 13 3.626 4.813 7.080 1.00 0.00 C ATOM 779 CG LEU B 13 3.619 6.340 7.002 1.00 0.00 C ATOM 780 CD1 LEU B 13 4.090 6.823 5.629 1.00 0.00 C ATOM 781 CD2 LEU B 13 2.242 6.901 7.365 1.00 0.00 C ATOM 0 H LEU B 13 3.352 2.359 7.164 1.00 0.00 H new ATOM 0 HA LEU B 13 1.543 4.565 7.251 1.00 0.00 H new ATOM 0 HB2 LEU B 13 3.851 4.523 8.106 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.440 4.441 6.457 1.00 0.00 H new ATOM 0 HG LEU B 13 4.327 6.722 7.737 1.00 0.00 H new ATOM 0 HD11 LEU B 13 4.075 7.913 5.602 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.105 6.469 5.447 1.00 0.00 H new ATOM 0 HD13 LEU B 13 3.426 6.432 4.858 1.00 0.00 H new ATOM 0 HD21 LEU B 13 2.264 7.989 7.302 1.00 0.00 H new ATOM 0 HD22 LEU B 13 1.496 6.512 6.671 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.983 6.602 8.381 1.00 0.00 H new ATOM 793 N ASP B 14 2.585 3.544 4.286 1.00 0.00 N ATOM 794 CA ASP B 14 2.326 3.654 2.860 1.00 0.00 C ATOM 795 C ASP B 14 0.893 3.208 2.569 1.00 0.00 C ATOM 796 O ASP B 14 0.289 3.739 1.626 1.00 0.00 O ATOM 797 CB ASP B 14 3.273 2.759 2.058 1.00 0.00 C ATOM 798 CG ASP B 14 3.792 3.369 0.755 1.00 0.00 C ATOM 799 OD1 ASP B 14 4.784 4.111 0.749 1.00 0.00 O ATOM 800 OD2 ASP B 14 3.123 3.050 -0.301 1.00 0.00 O ATOM 0 H ASP B 14 3.264 2.824 4.534 1.00 0.00 H new ATOM 0 HA ASP B 14 2.479 4.693 2.569 1.00 0.00 H new ATOM 0 HB2 ASP B 14 4.126 2.503 2.687 1.00 0.00 H new ATOM 0 HB3 ASP B 14 2.758 1.827 1.825 1.00 0.00 H new ATOM 805 N ASN B 15 0.384 2.256 3.372 1.00 0.00 N ATOM 806 CA ASN B 15 -0.965 1.745 3.203 1.00 0.00 C ATOM 807 C ASN B 15 -1.966 2.888 3.386 1.00 0.00 C ATOM 808 O ASN B 15 -2.848 3.043 2.528 1.00 0.00 O ATOM 809 CB ASN B 15 -1.281 0.668 4.241 1.00 0.00 C ATOM 810 CG ASN B 15 -2.143 -0.443 3.636 1.00 0.00 C ATOM 811 OD1 ASN B 15 -1.443 -1.450 3.123 1.00 0.00 O flip ATOM 812 ND2 ASN B 15 -3.361 -0.388 3.636 1.00 0.00 N flip ATOM 0 H ASN B 15 0.898 1.831 4.144 1.00 0.00 H new ATOM 0 HA ASN B 15 -1.039 1.315 2.204 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -0.353 0.244 4.625 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -1.801 1.116 5.088 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -3.835 0.416 4.048 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -3.906 -1.146 3.225 1.00 0.00 H new ATOM 819 N TYR B 16 -1.812 3.652 4.482 1.00 0.00 N ATOM 820 CA TYR B 16 -2.733 4.751 4.717 1.00 0.00 C ATOM 821 C TYR B 16 -2.720 5.689 3.508 1.00 0.00 C ATOM 822 O TYR B 16 -3.805 6.127 3.100 1.00 0.00 O ATOM 823 CB TYR B 16 -2.359 5.486 6.018 1.00 0.00 C ATOM 824 CG TYR B 16 -1.815 4.585 7.117 1.00 0.00 C ATOM 825 CD1 TYR B 16 -2.400 3.319 7.348 1.00 0.00 C ATOM 826 CD2 TYR B 16 -0.722 5.004 7.911 1.00 0.00 C ATOM 827 CE1 TYR B 16 -1.898 2.479 8.366 1.00 0.00 C ATOM 828 CE2 TYR B 16 -0.219 4.164 8.927 1.00 0.00 C ATOM 829 CZ TYR B 16 -0.808 2.900 9.156 1.00 0.00 C ATOM 830 OH TYR B 16 -0.325 2.085 10.140 1.00 0.00 O ATOM 0 H TYR B 16 -1.085 3.528 5.187 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.746 4.369 4.840 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.614 6.248 5.789 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.241 6.005 6.394 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.234 2.993 6.744 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.271 5.970 7.739 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -2.349 1.513 8.540 1.00 0.00 H new ATOM 0 HE2 TYR B 16 0.617 4.487 9.530 1.00 0.00 H new ATOM 0 HH TYR B 16 0.427 2.525 10.589 1.00 0.00 H new ATOM 840 N HIS B 17 -1.519 5.982 2.977 1.00 0.00 N ATOM 841 CA HIS B 17 -1.379 6.869 1.834 1.00 0.00 C ATOM 842 C HIS B 17 -2.003 6.209 0.602 1.00 0.00 C ATOM 843 O HIS B 17 -2.711 6.902 -0.142 1.00 0.00 O ATOM 844 CB HIS B 17 0.085 7.258 1.620 1.00 0.00 C ATOM 845 CG HIS B 17 0.548 7.142 0.187 1.00 0.00 C ATOM 846 ND1 HIS B 17 1.052 6.079 -0.504 1.00 0.00 N flip ATOM 847 CD2 HIS B 17 0.519 8.205 -0.698 1.00 0.00 C flip ATOM 848 CE1 HIS B 17 1.315 6.472 -1.744 1.00 0.00 C flip ATOM 849 NE2 HIS B 17 0.986 7.789 -1.867 1.00 0.00 N flip ATOM 0 H HIS B 17 -0.637 5.611 3.330 1.00 0.00 H new ATOM 0 HA HIS B 17 -1.915 7.800 2.021 1.00 0.00 H new ATOM 0 HB2 HIS B 17 0.230 8.285 1.956 1.00 0.00 H new ATOM 0 HB3 HIS B 17 0.714 6.625 2.247 1.00 0.00 H new ATOM 0 HD2 HIS B 17 0.174 9.204 -0.475 1.00 0.00 H new ATOM 0 HE1 HIS B 17 1.723 5.850 -2.527 1.00 0.00 H new ATOM 0 HE2 HIS B 17 1.082 8.355 -2.710 1.00 0.00 H new ATOM 857 N LEU B 18 -1.734 4.905 0.416 1.00 0.00 N ATOM 858 CA LEU B 18 -2.266 4.161 -0.714 1.00 0.00 C ATOM 859 C LEU B 18 -3.792 4.119 -0.618 1.00 0.00 C ATOM 860 O LEU B 18 -4.451 4.194 -1.667 1.00 0.00 O ATOM 861 CB LEU B 18 -1.617 2.779 -0.800 1.00 0.00 C ATOM 862 CG LEU B 18 -0.148 2.752 -1.231 1.00 0.00 C ATOM 863 CD1 LEU B 18 0.443 1.350 -1.075 1.00 0.00 C ATOM 864 CD2 LEU B 18 0.015 3.288 -2.654 1.00 0.00 C ATOM 0 H LEU B 18 -1.148 4.353 1.042 1.00 0.00 H new ATOM 0 HA LEU B 18 -2.018 4.662 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -1.697 2.301 0.176 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -2.192 2.173 -1.500 1.00 0.00 H new ATOM 0 HG LEU B 18 0.414 3.413 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU B 18 1.487 1.358 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU B 18 0.379 1.042 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -0.116 0.649 -1.695 1.00 0.00 H new ATOM 0 HD21 LEU B 18 1.068 3.258 -2.936 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -0.563 2.672 -3.343 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -0.343 4.316 -2.699 1.00 0.00 H new ATOM 876 N GLU B 19 -4.315 4.003 0.615 1.00 0.00 N ATOM 877 CA GLU B 19 -5.749 3.953 0.842 1.00 0.00 C ATOM 878 C GLU B 19 -6.364 5.313 0.507 1.00 0.00 C ATOM 879 O GLU B 19 -7.296 5.355 -0.309 1.00 0.00 O ATOM 880 CB GLU B 19 -6.077 3.542 2.278 1.00 0.00 C ATOM 881 CG GLU B 19 -7.388 2.754 2.339 1.00 0.00 C ATOM 882 CD GLU B 19 -8.326 3.330 3.402 1.00 0.00 C ATOM 883 OE1 GLU B 19 -8.137 2.882 4.596 1.00 0.00 O ATOM 884 OE2 GLU B 19 -9.186 4.164 3.083 1.00 0.00 O ATOM 0 H GLU B 19 -3.754 3.943 1.465 1.00 0.00 H new ATOM 0 HA GLU B 19 -6.179 3.194 0.188 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -5.265 2.936 2.681 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -6.153 4.430 2.906 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -7.877 2.779 1.365 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -7.178 1.708 2.563 1.00 0.00 H new ATOM 891 N ASN B 20 -5.837 6.381 1.132 1.00 0.00 N ATOM 892 CA ASN B 20 -6.329 7.729 0.902 1.00 0.00 C ATOM 893 C ASN B 20 -6.203 8.066 -0.585 1.00 0.00 C ATOM 894 O ASN B 20 -7.049 8.816 -1.094 1.00 0.00 O ATOM 895 CB ASN B 20 -5.514 8.756 1.691 1.00 0.00 C ATOM 896 CG ASN B 20 -5.320 8.305 3.140 1.00 0.00 C ATOM 897 OD1 ASN B 20 -6.124 7.583 3.706 1.00 0.00 O ATOM 898 ND2 ASN B 20 -4.211 8.771 3.707 1.00 0.00 N ATOM 0 H ASN B 20 -5.068 6.324 1.800 1.00 0.00 H new ATOM 0 HA ASN B 20 -7.369 7.768 1.227 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -4.543 8.897 1.217 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -6.021 9.721 1.671 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -3.991 8.528 4.673 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -3.580 9.372 3.176 1.00 0.00 H new ATOM 905 N GLU B 21 -5.167 7.515 -1.242 1.00 0.00 N ATOM 906 CA GLU B 21 -4.936 7.756 -2.656 1.00 0.00 C ATOM 907 C GLU B 21 -5.883 6.882 -3.480 1.00 0.00 C ATOM 908 O GLU B 21 -6.291 7.315 -4.567 1.00 0.00 O ATOM 909 CB GLU B 21 -3.478 7.496 -3.039 1.00 0.00 C ATOM 910 CG GLU B 21 -3.124 8.192 -4.354 1.00 0.00 C ATOM 911 CD GLU B 21 -1.806 7.659 -4.920 1.00 0.00 C ATOM 912 OE1 GLU B 21 -1.184 6.824 -4.158 1.00 0.00 O ATOM 913 OE2 GLU B 21 -1.412 8.035 -6.034 1.00 0.00 O ATOM 0 H GLU B 21 -4.481 6.900 -0.805 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.138 8.806 -2.869 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.821 7.853 -2.246 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.309 6.423 -3.134 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.924 8.037 -5.078 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -3.045 9.267 -4.191 1.00 0.00 H new ATOM 920 N VAL B 22 -6.211 5.687 -2.955 1.00 0.00 N ATOM 921 CA VAL B 22 -7.101 4.764 -3.636 1.00 0.00 C ATOM 922 C VAL B 22 -8.548 5.226 -3.451 1.00 0.00 C ATOM 923 O VAL B 22 -9.332 5.107 -4.403 1.00 0.00 O ATOM 924 CB VAL B 22 -6.860 3.338 -3.135 1.00 0.00 C ATOM 925 CG1 VAL B 22 -8.146 2.511 -3.198 1.00 0.00 C ATOM 926 CG2 VAL B 22 -5.734 2.663 -3.922 1.00 0.00 C ATOM 0 H VAL B 22 -5.865 5.349 -2.057 1.00 0.00 H new ATOM 0 HA VAL B 22 -6.897 4.757 -4.707 1.00 0.00 H new ATOM 0 HB VAL B 22 -6.550 3.397 -2.092 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -7.948 1.502 -2.837 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -8.909 2.977 -2.574 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -8.499 2.465 -4.228 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.583 1.651 -3.546 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -6.002 2.622 -4.978 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.814 3.235 -3.804 1.00 0.00 H new ATOM 936 N ALA B 23 -8.867 5.737 -2.248 1.00 0.00 N ATOM 937 CA ALA B 23 -10.206 6.212 -1.944 1.00 0.00 C ATOM 938 C ALA B 23 -10.490 7.478 -2.755 1.00 0.00 C ATOM 939 O ALA B 23 -11.671 7.805 -2.944 1.00 0.00 O ATOM 940 CB ALA B 23 -10.286 6.619 -0.471 1.00 0.00 C ATOM 0 H ALA B 23 -8.206 5.827 -1.477 1.00 0.00 H new ATOM 0 HA ALA B 23 -10.915 5.417 -2.176 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -11.291 6.975 -0.246 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -10.057 5.758 0.157 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -9.567 7.414 -0.274 1.00 0.00 H new ATOM 946 N ARG B 24 -9.420 8.155 -3.209 1.00 0.00 N ATOM 947 CA ARG B 24 -9.553 9.373 -3.991 1.00 0.00 C ATOM 948 C ARG B 24 -9.614 9.016 -5.476 1.00 0.00 C ATOM 949 O ARG B 24 -10.303 9.723 -6.225 1.00 0.00 O ATOM 950 CB ARG B 24 -8.382 10.328 -3.749 1.00 0.00 C ATOM 951 CG ARG B 24 -8.685 11.286 -2.596 1.00 0.00 C ATOM 952 CD ARG B 24 -7.449 12.113 -2.232 1.00 0.00 C ATOM 953 NE ARG B 24 -7.861 13.445 -1.735 1.00 0.00 N ATOM 954 CZ ARG B 24 -7.139 14.572 -1.903 1.00 0.00 C ATOM 955 NH1 ARG B 24 -5.972 14.504 -2.560 1.00 0.00 N ATOM 956 NH2 ARG B 24 -7.580 15.742 -1.421 1.00 0.00 N ATOM 0 H ARG B 24 -8.455 7.869 -3.041 1.00 0.00 H new ATOM 0 HA ARG B 24 -10.470 9.875 -3.682 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.482 9.756 -3.524 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -8.179 10.898 -4.656 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -9.502 11.951 -2.876 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -9.018 10.720 -1.726 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -6.866 11.595 -1.470 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -6.805 12.224 -3.105 1.00 0.00 H new ATOM 0 HE ARG B 24 -8.747 13.515 -1.234 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -5.643 13.610 -2.924 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -5.413 15.347 -2.696 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -8.469 15.786 -0.922 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -7.027 16.589 -1.553 1.00 0.00 H new ATOM 970 N LEU B 25 -8.903 7.943 -5.868 1.00 0.00 N ATOM 971 CA LEU B 25 -8.876 7.499 -7.251 1.00 0.00 C ATOM 972 C LEU B 25 -10.154 6.714 -7.555 1.00 0.00 C ATOM 973 O LEU B 25 -10.710 6.894 -8.649 1.00 0.00 O ATOM 974 CB LEU B 25 -7.593 6.718 -7.539 1.00 0.00 C ATOM 975 CG LEU B 25 -6.326 7.555 -7.727 1.00 0.00 C ATOM 976 CD1 LEU B 25 -5.095 6.660 -7.883 1.00 0.00 C ATOM 977 CD2 LEU B 25 -6.480 8.527 -8.899 1.00 0.00 C ATOM 0 H LEU B 25 -8.342 7.374 -5.235 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.858 8.355 -7.925 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.425 6.019 -6.719 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.748 6.122 -8.439 1.00 0.00 H new ATOM 0 HG LEU B 25 -6.176 8.154 -6.829 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -4.209 7.280 -8.015 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -4.977 6.044 -6.991 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -5.221 6.017 -8.754 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -5.566 9.110 -9.011 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -6.667 7.966 -9.815 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.317 9.198 -8.707 1.00 0.00 H new ATOM 989 N LYS B 26 -10.587 5.874 -6.598 1.00 0.00 N ATOM 990 CA LYS B 26 -11.788 5.072 -6.763 1.00 0.00 C ATOM 991 C LYS B 26 -12.996 5.997 -6.919 1.00 0.00 C ATOM 992 O LYS B 26 -13.976 5.583 -7.555 1.00 0.00 O ATOM 993 CB LYS B 26 -11.923 4.070 -5.615 1.00 0.00 C ATOM 994 CG LYS B 26 -11.047 2.840 -5.854 1.00 0.00 C ATOM 995 CD LYS B 26 -11.844 1.550 -5.652 1.00 0.00 C ATOM 996 CE LYS B 26 -12.723 1.253 -6.870 1.00 0.00 C ATOM 997 NZ LYS B 26 -13.057 -0.181 -6.926 1.00 0.00 N ATOM 0 H LYS B 26 -10.114 5.741 -5.704 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.726 4.474 -7.672 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.639 4.546 -4.677 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.965 3.765 -5.515 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.644 2.868 -6.866 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.197 2.857 -5.172 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -11.160 0.719 -5.481 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.467 1.639 -4.762 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -13.637 1.844 -6.819 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -12.203 1.548 -7.782 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -13.653 -0.366 -7.758 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -12.182 -0.739 -6.996 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -13.572 -0.452 -6.064 1.00 0.00 H new ATOM 1011 N LYS B 27 -12.905 7.209 -6.345 1.00 0.00 N ATOM 1012 CA LYS B 27 -13.984 8.180 -6.419 1.00 0.00 C ATOM 1013 C LYS B 27 -13.938 8.884 -7.777 1.00 0.00 C ATOM 1014 O LYS B 27 -14.905 9.583 -8.112 1.00 0.00 O ATOM 1015 CB LYS B 27 -13.926 9.139 -5.228 1.00 0.00 C ATOM 1016 CG LYS B 27 -15.326 9.410 -4.674 1.00 0.00 C ATOM 1017 CD LYS B 27 -15.311 10.592 -3.702 1.00 0.00 C ATOM 1018 CE LYS B 27 -14.714 10.183 -2.353 1.00 0.00 C ATOM 1019 NZ LYS B 27 -13.777 11.211 -1.871 1.00 0.00 N ATOM 0 H LYS B 27 -12.088 7.530 -5.825 1.00 0.00 H new ATOM 0 HA LYS B 27 -14.950 7.681 -6.350 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.297 8.715 -4.445 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -13.464 10.078 -5.534 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -16.012 9.618 -5.495 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -15.698 8.521 -4.165 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -14.731 11.411 -4.128 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -16.326 10.962 -3.558 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -15.512 10.039 -1.624 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -14.197 9.229 -2.452 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -13.381 10.918 -0.955 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -13.006 11.329 -2.559 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -14.281 12.114 -1.757 1.00 0.00 H new ATOM 1033 N LEU B 28 -12.833 8.688 -8.519 1.00 0.00 N ATOM 1034 CA LEU B 28 -12.666 9.300 -9.826 1.00 0.00 C ATOM 1035 C LEU B 28 -12.889 8.244 -10.911 1.00 0.00 C ATOM 1036 O LEU B 28 -13.428 8.593 -11.972 1.00 0.00 O ATOM 1037 CB LEU B 28 -11.309 10.000 -9.921 1.00 0.00 C ATOM 1038 CG LEU B 28 -11.330 11.436 -10.451 1.00 0.00 C ATOM 1039 CD1 LEU B 28 -11.534 12.437 -9.312 1.00 0.00 C ATOM 1040 CD2 LEU B 28 -10.069 11.740 -11.263 1.00 0.00 C ATOM 0 H LEU B 28 -12.048 8.107 -8.225 1.00 0.00 H new ATOM 0 HA LEU B 28 -13.413 10.079 -9.979 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.856 10.006 -8.930 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -10.660 9.406 -10.565 1.00 0.00 H new ATOM 0 HG LEU B 28 -12.179 11.539 -11.126 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -11.545 13.450 -9.715 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -12.482 12.234 -8.815 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -10.720 12.341 -8.593 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -10.110 12.766 -11.628 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -9.190 11.614 -10.631 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -10.008 11.056 -12.110 1.00 0.00 H new ATOM 1052 N VAL B 29 -12.479 6.994 -10.629 1.00 0.00 N ATOM 1053 CA VAL B 29 -12.634 5.901 -11.573 1.00 0.00 C ATOM 1054 C VAL B 29 -13.708 4.939 -11.061 1.00 0.00 C ATOM 1055 O VAL B 29 -14.738 4.792 -11.735 1.00 0.00 O ATOM 1056 CB VAL B 29 -11.285 5.219 -11.810 1.00 0.00 C ATOM 1057 CG1 VAL B 29 -11.351 4.279 -13.015 1.00 0.00 C ATOM 1058 CG2 VAL B 29 -10.171 6.254 -11.983 1.00 0.00 C ATOM 0 H VAL B 29 -12.038 6.727 -9.749 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.968 6.276 -12.540 1.00 0.00 H new ATOM 0 HB VAL B 29 -11.053 4.620 -10.930 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -10.380 3.807 -13.162 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -12.104 3.511 -12.837 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.616 4.848 -13.906 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -9.223 5.743 -12.150 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -10.396 6.891 -12.839 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -10.100 6.866 -11.084 1.00 0.00 H new ATOM 1068 N GLY B 30 -13.452 4.314 -9.898 1.00 0.00 N ATOM 1069 CA GLY B 30 -14.390 3.376 -9.305 1.00 0.00 C ATOM 1070 C GLY B 30 -15.754 4.052 -9.154 1.00 0.00 C ATOM 1071 O GLY B 30 -16.725 3.356 -8.822 1.00 0.00 O ATOM 0 H GLY B 30 -12.598 4.450 -9.358 1.00 0.00 H new ATOM 0 HA2 GLY B 30 -14.479 2.488 -9.931 1.00 0.00 H new ATOM 0 HA3 GLY B 30 -14.026 3.045 -8.332 1.00 0.00 H new