USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 580 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: B 12 LYS NZ :NH3+ 176:sc= -0.266 (180deg=-0.286) USER MOD Set 1.2: B 16 TYR OH : rot 38:sc= -0.42 USER MOD Set 2.1: A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 7 LYS NZ :NH3+ -112:sc= -0.158 (180deg=-2.1!) USER MOD Set 3.1: A 1 MET CE :methyl -158:sc= -0.18 (180deg=-1.37) USER MOD Set 3.2: B 1 MET CE :methyl -172:sc= 0 (180deg=-0.00858) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0 (180deg=-0.157) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 158:sc= -0.821 (180deg=-1.94) USER MOD Single : A 7 LYS NZ :NH3+ -167:sc= -1.11 (180deg=-1.63) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.373) USER MOD Single : A 15 ASN : amide:sc= 0.0858 X(o=0.086,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.615 K(o=-0.62,f=-0.087) USER MOD Single : A 20 ASN : amide:sc= -0.243 K(o=-0.24,f=-2.2!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -169:sc= -0.0032 (180deg=-0.141) 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 8 MET CE :methyl 175:sc= 0 (180deg=-0.0166) USER MOD Single : B 9 GLN : amide:sc= 0.00116 X(o=0.0012,f=0) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 ASN : amide:sc= -0.525 K(o=-0.53,f=0) USER MOD Single : B 17 HIS : no HD1:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : B 20 ASN : amide:sc= -2.33! C(o=-2.3!,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 8.125 -11.073 17.143 1.00 0.00 N ATOM 2 CA MET A 1 8.895 -11.073 15.911 1.00 0.00 C ATOM 3 C MET A 1 8.310 -12.109 14.949 1.00 0.00 C ATOM 4 O MET A 1 8.228 -11.818 13.747 1.00 0.00 O ATOM 5 CB MET A 1 10.359 -11.412 16.198 1.00 0.00 C ATOM 6 CG MET A 1 11.295 -10.621 15.282 1.00 0.00 C ATOM 7 SD MET A 1 12.812 -11.571 14.972 1.00 0.00 S ATOM 8 CE MET A 1 13.102 -12.253 16.631 1.00 0.00 C ATOM 0 H1 MET A 1 8.371 -10.234 17.706 1.00 0.00 H new ATOM 0 H2 MET A 1 7.110 -11.053 16.918 1.00 0.00 H new ATOM 0 H3 MET A 1 8.342 -11.932 17.688 1.00 0.00 H new ATOM 0 HA MET A 1 8.846 -10.081 15.462 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.590 -11.189 17.240 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.523 -12.480 16.056 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.794 -10.402 14.339 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.543 -9.664 15.741 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.153 -12.524 16.735 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.844 -11.506 17.382 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.483 -13.139 16.773 1.00 0.00 H new ATOM 18 N ASP A 2 7.920 -13.278 15.488 1.00 0.00 N ATOM 19 CA ASP A 2 7.349 -14.345 14.683 1.00 0.00 C ATOM 20 C ASP A 2 6.182 -13.790 13.863 1.00 0.00 C ATOM 21 O ASP A 2 5.994 -14.241 12.724 1.00 0.00 O ATOM 22 CB ASP A 2 6.812 -15.474 15.565 1.00 0.00 C ATOM 23 CG ASP A 2 7.591 -15.707 16.861 1.00 0.00 C ATOM 24 OD1 ASP A 2 7.634 -14.840 17.746 1.00 0.00 O ATOM 25 OD2 ASP A 2 8.181 -16.852 16.944 1.00 0.00 O ATOM 0 H ASP A 2 7.995 -13.497 16.481 1.00 0.00 H new ATOM 0 HA ASP A 2 8.134 -14.736 14.035 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.774 -15.256 15.817 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.813 -16.398 14.987 1.00 0.00 H new ATOM 30 N ALA A 3 5.433 -12.838 14.449 1.00 0.00 N ATOM 31 CA ALA A 3 4.297 -12.230 13.778 1.00 0.00 C ATOM 32 C ALA A 3 4.768 -11.000 13.000 1.00 0.00 C ATOM 33 O ALA A 3 4.007 -10.509 12.154 1.00 0.00 O ATOM 34 CB ALA A 3 3.296 -11.723 14.818 1.00 0.00 C ATOM 0 H ALA A 3 5.605 -12.480 15.389 1.00 0.00 H new ATOM 0 HA ALA A 3 3.845 -12.974 13.121 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.445 -11.267 14.312 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.951 -12.558 15.428 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.778 -10.982 15.456 1.00 0.00 H new ATOM 40 N ILE A 4 5.995 -10.533 13.297 1.00 0.00 N ATOM 41 CA ILE A 4 6.559 -9.372 12.630 1.00 0.00 C ATOM 42 C ILE A 4 7.043 -9.775 11.236 1.00 0.00 C ATOM 43 O ILE A 4 6.747 -9.049 10.276 1.00 0.00 O ATOM 44 CB ILE A 4 7.644 -8.731 13.497 1.00 0.00 C ATOM 45 CG1 ILE A 4 7.059 -8.210 14.812 1.00 0.00 C ATOM 46 CG2 ILE A 4 8.387 -7.638 12.727 1.00 0.00 C ATOM 47 CD1 ILE A 4 7.526 -6.779 15.090 1.00 0.00 C ATOM 0 H ILE A 4 6.607 -10.951 13.998 1.00 0.00 H new ATOM 0 HA ILE A 4 5.798 -8.604 12.493 1.00 0.00 H new ATOM 0 HB ILE A 4 8.375 -9.498 13.752 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.970 -8.239 14.767 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.361 -8.861 15.632 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.153 -7.199 13.366 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.856 -8.070 11.843 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.682 -6.865 12.422 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.096 -6.432 16.030 1.00 0.00 H new ATOM 0 HD12 ILE A 4 8.614 -6.758 15.159 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.201 -6.126 14.280 1.00 0.00 H new ATOM 59 N LYS A 5 7.767 -10.906 11.154 1.00 0.00 N ATOM 60 CA LYS A 5 8.287 -11.397 9.889 1.00 0.00 C ATOM 61 C LYS A 5 7.137 -11.534 8.889 1.00 0.00 C ATOM 62 O LYS A 5 7.362 -11.291 7.695 1.00 0.00 O ATOM 63 CB LYS A 5 9.075 -12.691 10.100 1.00 0.00 C ATOM 64 CG LYS A 5 8.609 -13.417 11.363 1.00 0.00 C ATOM 65 CD LYS A 5 8.770 -14.932 11.216 1.00 0.00 C ATOM 66 CE LYS A 5 10.124 -15.395 11.755 1.00 0.00 C ATOM 67 NZ LYS A 5 10.472 -16.717 11.209 1.00 0.00 N ATOM 0 H LYS A 5 7.999 -11.490 11.957 1.00 0.00 H new ATOM 0 HA LYS A 5 8.995 -10.685 9.466 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.950 -13.342 9.235 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.138 -12.465 10.178 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.184 -13.068 12.221 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.564 -13.176 11.561 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.968 -15.440 11.752 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.678 -15.211 10.166 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.894 -14.671 11.489 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.092 -15.442 12.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.394 -17.016 11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.745 -17.408 11.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.523 -16.662 10.172 1.00 0.00 H new ATOM 81 N LYS A 6 5.947 -11.915 9.388 1.00 0.00 N ATOM 82 CA LYS A 6 4.776 -12.082 8.544 1.00 0.00 C ATOM 83 C LYS A 6 4.069 -10.734 8.388 1.00 0.00 C ATOM 84 O LYS A 6 3.468 -10.502 7.329 1.00 0.00 O ATOM 85 CB LYS A 6 3.874 -13.189 9.093 1.00 0.00 C ATOM 86 CG LYS A 6 4.701 -14.293 9.754 1.00 0.00 C ATOM 87 CD LYS A 6 4.053 -15.663 9.546 1.00 0.00 C ATOM 88 CE LYS A 6 3.879 -15.967 8.057 1.00 0.00 C ATOM 89 NZ LYS A 6 4.985 -15.385 7.279 1.00 0.00 N ATOM 0 H LYS A 6 5.783 -12.111 10.376 1.00 0.00 H new ATOM 0 HA LYS A 6 5.069 -12.407 7.546 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.177 -12.769 9.818 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.277 -13.611 8.284 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.708 -14.296 9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.798 -14.091 10.821 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.669 -16.434 10.009 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.083 -15.689 10.042 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.845 -17.045 7.902 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.929 -15.565 7.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.072 -15.885 6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.793 -14.378 7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.872 -15.480 7.813 1.00 0.00 H new ATOM 103 N LYS A 7 4.153 -9.885 9.428 1.00 0.00 N ATOM 104 CA LYS A 7 3.525 -8.575 9.406 1.00 0.00 C ATOM 105 C LYS A 7 3.957 -7.829 8.142 1.00 0.00 C ATOM 106 O LYS A 7 3.080 -7.320 7.429 1.00 0.00 O ATOM 107 CB LYS A 7 3.824 -7.816 10.700 1.00 0.00 C ATOM 108 CG LYS A 7 3.147 -6.444 10.700 1.00 0.00 C ATOM 109 CD LYS A 7 1.662 -6.565 10.352 1.00 0.00 C ATOM 110 CE LYS A 7 0.824 -5.593 11.185 1.00 0.00 C ATOM 111 NZ LYS A 7 1.014 -4.212 10.713 1.00 0.00 N ATOM 0 H LYS A 7 4.654 -10.095 10.291 1.00 0.00 H new ATOM 0 HA LYS A 7 2.440 -8.673 9.364 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.477 -8.397 11.555 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.901 -7.694 10.814 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.258 -5.980 11.680 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.641 -5.791 9.980 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.515 -6.361 9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.325 -7.586 10.530 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.230 -5.864 11.120 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.108 -5.667 12.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.622 -3.549 11.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.029 -4.024 10.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.525 -4.085 9.804 1.00 0.00 H new ATOM 125 N MET A 8 5.278 -7.779 7.894 1.00 0.00 N ATOM 126 CA MET A 8 5.818 -7.102 6.727 1.00 0.00 C ATOM 127 C MET A 8 5.415 -7.868 5.466 1.00 0.00 C ATOM 128 O MET A 8 5.325 -7.243 4.399 1.00 0.00 O ATOM 129 CB MET A 8 7.343 -7.025 6.813 1.00 0.00 C ATOM 130 CG MET A 8 7.972 -8.410 6.645 1.00 0.00 C ATOM 131 SD MET A 8 8.503 -8.646 4.923 1.00 0.00 S ATOM 132 CE MET A 8 10.296 -8.426 5.113 1.00 0.00 C ATOM 0 H MET A 8 5.984 -8.204 8.495 1.00 0.00 H new ATOM 0 HA MET A 8 5.418 -6.089 6.689 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.721 -6.354 6.042 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.636 -6.603 7.774 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.825 -8.515 7.315 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.253 -9.181 6.922 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.781 -8.539 4.144 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.501 -7.431 5.507 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.684 -9.176 5.803 1.00 0.00 H new ATOM 142 N GLN A 9 5.186 -9.186 5.609 1.00 0.00 N ATOM 143 CA GLN A 9 4.797 -10.026 4.489 1.00 0.00 C ATOM 144 C GLN A 9 3.338 -9.743 4.127 1.00 0.00 C ATOM 145 O GLN A 9 2.965 -9.966 2.966 1.00 0.00 O ATOM 146 CB GLN A 9 5.007 -11.509 4.801 1.00 0.00 C ATOM 147 CG GLN A 9 6.477 -11.901 4.639 1.00 0.00 C ATOM 148 CD GLN A 9 6.613 -13.384 4.289 1.00 0.00 C ATOM 149 OE1 GLN A 9 6.139 -13.854 3.267 1.00 0.00 O ATOM 150 NE2 GLN A 9 7.287 -14.094 5.190 1.00 0.00 N ATOM 0 H GLN A 9 5.267 -9.682 6.496 1.00 0.00 H new ATOM 0 HA GLN A 9 5.432 -9.788 3.636 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.681 -11.720 5.820 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.390 -12.115 4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.935 -11.295 3.857 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.017 -11.690 5.562 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.658 -13.639 6.024 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.433 -15.093 5.046 1.00 0.00 H new ATOM 159 N MET A 10 2.555 -9.265 5.111 1.00 0.00 N ATOM 160 CA MET A 10 1.152 -8.956 4.896 1.00 0.00 C ATOM 161 C MET A 10 1.025 -7.531 4.353 1.00 0.00 C ATOM 162 O MET A 10 0.156 -7.300 3.500 1.00 0.00 O ATOM 163 CB MET A 10 0.373 -9.074 6.208 1.00 0.00 C ATOM 164 CG MET A 10 0.777 -10.336 6.973 1.00 0.00 C ATOM 165 SD MET A 10 -0.696 -11.332 7.349 1.00 0.00 S ATOM 166 CE MET A 10 0.070 -12.970 7.533 1.00 0.00 C ATOM 0 H MET A 10 2.882 -9.088 6.061 1.00 0.00 H new ATOM 0 HA MET A 10 0.739 -9.664 4.178 1.00 0.00 H new ATOM 0 HB2 MET A 10 0.558 -8.195 6.825 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.697 -9.097 5.999 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.480 -10.921 6.380 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.288 -10.064 7.897 1.00 0.00 H new ATOM 0 HE1 MET A 10 -0.698 -13.707 7.767 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.566 -13.246 6.603 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.802 -12.941 8.340 1.00 0.00 H new ATOM 176 N LEU A 11 1.880 -6.619 4.850 1.00 0.00 N ATOM 177 CA LEU A 11 1.864 -5.232 4.418 1.00 0.00 C ATOM 178 C LEU A 11 2.536 -5.121 3.048 1.00 0.00 C ATOM 179 O LEU A 11 2.184 -4.205 2.291 1.00 0.00 O ATOM 180 CB LEU A 11 2.489 -4.331 5.485 1.00 0.00 C ATOM 181 CG LEU A 11 1.814 -4.350 6.858 1.00 0.00 C ATOM 182 CD1 LEU A 11 2.284 -3.173 7.716 1.00 0.00 C ATOM 183 CD2 LEU A 11 0.291 -4.386 6.720 1.00 0.00 C ATOM 0 H LEU A 11 2.588 -6.830 5.553 1.00 0.00 H new ATOM 0 HA LEU A 11 0.839 -4.882 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.532 -4.620 5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.485 -3.306 5.114 1.00 0.00 H new ATOM 0 HG LEU A 11 2.112 -5.263 7.373 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.789 -3.210 8.687 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.363 -3.233 7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.035 -2.237 7.217 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.164 -4.399 7.710 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.046 -3.503 6.177 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.004 -5.282 6.174 1.00 0.00 H new ATOM 195 N LYS A 12 3.474 -6.041 2.762 1.00 0.00 N ATOM 196 CA LYS A 12 4.187 -6.046 1.496 1.00 0.00 C ATOM 197 C LYS A 12 3.292 -6.653 0.414 1.00 0.00 C ATOM 198 O LYS A 12 3.411 -6.241 -0.750 1.00 0.00 O ATOM 199 CB LYS A 12 5.537 -6.750 1.643 1.00 0.00 C ATOM 200 CG LYS A 12 5.352 -8.257 1.828 1.00 0.00 C ATOM 201 CD LYS A 12 5.060 -8.942 0.490 1.00 0.00 C ATOM 202 CE LYS A 12 6.004 -10.123 0.261 1.00 0.00 C ATOM 203 NZ LYS A 12 5.489 -10.995 -0.807 1.00 0.00 N ATOM 0 H LYS A 12 3.748 -6.788 3.400 1.00 0.00 H new ATOM 0 HA LYS A 12 4.418 -5.027 1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.148 -6.561 0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.075 -6.338 2.497 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.251 -8.686 2.272 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.533 -8.444 2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.027 -9.289 0.473 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.168 -8.223 -0.322 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.995 -9.757 -0.006 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.113 -10.693 1.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.777 -11.977 -0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.451 -10.937 -0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.875 -10.687 -1.723 1.00 0.00 H new ATOM 217 N LEU A 13 2.427 -7.603 0.811 1.00 0.00 N ATOM 218 CA LEU A 13 1.522 -8.258 -0.119 1.00 0.00 C ATOM 219 C LEU A 13 0.387 -7.299 -0.480 1.00 0.00 C ATOM 220 O LEU A 13 -0.017 -7.278 -1.652 1.00 0.00 O ATOM 221 CB LEU A 13 1.040 -9.593 0.453 1.00 0.00 C ATOM 222 CG LEU A 13 0.564 -10.628 -0.568 1.00 0.00 C ATOM 223 CD1 LEU A 13 -0.415 -11.616 0.069 1.00 0.00 C ATOM 224 CD2 LEU A 13 -0.030 -9.947 -1.802 1.00 0.00 C ATOM 0 H LEU A 13 2.344 -7.927 1.775 1.00 0.00 H new ATOM 0 HA LEU A 13 2.040 -8.503 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.852 -10.031 1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.223 -9.394 1.147 1.00 0.00 H new ATOM 0 HG LEU A 13 1.429 -11.202 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.738 -12.341 -0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.077 -12.136 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.282 -11.075 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.361 -10.705 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.880 -9.333 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.727 -9.317 -2.270 1.00 0.00 H new ATOM 236 N ASP A 14 -0.097 -6.536 0.516 1.00 0.00 N ATOM 237 CA ASP A 14 -1.175 -5.584 0.304 1.00 0.00 C ATOM 238 C ASP A 14 -0.657 -4.412 -0.531 1.00 0.00 C ATOM 239 O ASP A 14 -1.446 -3.839 -1.297 1.00 0.00 O ATOM 240 CB ASP A 14 -1.688 -5.028 1.633 1.00 0.00 C ATOM 241 CG ASP A 14 -3.208 -4.893 1.734 1.00 0.00 C ATOM 242 OD1 ASP A 14 -3.956 -5.823 1.397 1.00 0.00 O ATOM 243 OD2 ASP A 14 -3.626 -3.759 2.186 1.00 0.00 O ATOM 0 H ASP A 14 0.250 -6.569 1.475 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.987 -6.102 -0.207 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.342 -5.676 2.438 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.240 -4.048 1.797 1.00 0.00 H new ATOM 248 N ASN A 15 0.638 -4.083 -0.371 1.00 0.00 N ATOM 249 CA ASN A 15 1.252 -2.990 -1.105 1.00 0.00 C ATOM 250 C ASN A 15 1.207 -3.299 -2.603 1.00 0.00 C ATOM 251 O ASN A 15 0.778 -2.426 -3.372 1.00 0.00 O ATOM 252 CB ASN A 15 2.717 -2.811 -0.702 1.00 0.00 C ATOM 253 CG ASN A 15 3.201 -1.393 -1.013 1.00 0.00 C ATOM 254 OD1 ASN A 15 3.647 -1.087 -2.106 1.00 0.00 O ATOM 255 ND2 ASN A 15 3.089 -0.547 0.008 1.00 0.00 N ATOM 0 H ASN A 15 1.271 -4.568 0.265 1.00 0.00 H new ATOM 0 HA ASN A 15 0.701 -2.078 -0.876 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.832 -3.013 0.363 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.335 -3.535 -1.233 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.386 0.423 -0.099 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.707 -0.869 0.897 1.00 0.00 H new ATOM 262 N TYR A 16 1.644 -4.513 -2.981 1.00 0.00 N ATOM 263 CA TYR A 16 1.632 -4.867 -4.390 1.00 0.00 C ATOM 264 C TYR A 16 0.187 -4.887 -4.894 1.00 0.00 C ATOM 265 O TYR A 16 -0.030 -4.508 -6.054 1.00 0.00 O ATOM 266 CB TYR A 16 2.332 -6.222 -4.602 1.00 0.00 C ATOM 267 CG TYR A 16 3.613 -6.403 -3.800 1.00 0.00 C ATOM 268 CD1 TYR A 16 4.367 -5.273 -3.406 1.00 0.00 C ATOM 269 CD2 TYR A 16 4.054 -7.697 -3.439 1.00 0.00 C ATOM 270 CE1 TYR A 16 5.553 -5.436 -2.660 1.00 0.00 C ATOM 271 CE2 TYR A 16 5.241 -7.859 -2.692 1.00 0.00 C ATOM 272 CZ TYR A 16 5.992 -6.729 -2.303 1.00 0.00 C ATOM 273 OH TYR A 16 7.142 -6.882 -1.581 1.00 0.00 O ATOM 0 H TYR A 16 1.995 -5.233 -2.350 1.00 0.00 H new ATOM 0 HA TYR A 16 2.183 -4.123 -4.966 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.638 -7.020 -4.339 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.562 -6.336 -5.661 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.034 -4.282 -3.677 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.481 -8.563 -3.735 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.126 -4.570 -2.362 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.575 -8.849 -2.418 1.00 0.00 H new ATOM 0 HH TYR A 16 7.302 -7.835 -1.418 1.00 0.00 H new ATOM 283 N HIS A 17 -0.752 -5.326 -4.037 1.00 0.00 N ATOM 284 CA HIS A 17 -2.155 -5.400 -4.405 1.00 0.00 C ATOM 285 C HIS A 17 -2.721 -3.983 -4.528 1.00 0.00 C ATOM 286 O HIS A 17 -3.591 -3.769 -5.385 1.00 0.00 O ATOM 287 CB HIS A 17 -2.936 -6.266 -3.414 1.00 0.00 C ATOM 288 CG HIS A 17 -4.182 -5.607 -2.872 1.00 0.00 C ATOM 289 ND1 HIS A 17 -5.402 -5.660 -3.523 1.00 0.00 N ATOM 290 CD2 HIS A 17 -4.384 -4.881 -1.735 1.00 0.00 C ATOM 291 CE1 HIS A 17 -6.291 -4.992 -2.801 1.00 0.00 C ATOM 292 NE2 HIS A 17 -5.657 -4.510 -1.693 1.00 0.00 N ATOM 0 H HIS A 17 -0.552 -5.633 -3.085 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.257 -5.886 -5.375 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.215 -7.199 -3.904 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.283 -6.526 -2.581 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.634 -4.648 -0.994 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.334 -4.854 -3.047 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.090 -3.956 -0.954 1.00 0.00 H new ATOM 300 N LEU A 18 -2.225 -3.061 -3.685 1.00 0.00 N ATOM 301 CA LEU A 18 -2.678 -1.681 -3.700 1.00 0.00 C ATOM 302 C LEU A 18 -2.051 -0.956 -4.893 1.00 0.00 C ATOM 303 O LEU A 18 -2.784 -0.263 -5.614 1.00 0.00 O ATOM 304 CB LEU A 18 -2.395 -1.009 -2.355 1.00 0.00 C ATOM 305 CG LEU A 18 -3.268 -1.461 -1.182 1.00 0.00 C ATOM 306 CD1 LEU A 18 -2.651 -1.043 0.154 1.00 0.00 C ATOM 307 CD2 LEU A 18 -4.702 -0.950 -1.337 1.00 0.00 C ATOM 0 H LEU A 18 -1.508 -3.259 -2.987 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.759 -1.637 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.351 -1.187 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.514 0.068 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.312 -2.550 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.291 -1.376 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.665 -1.497 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.556 0.042 0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.301 -1.285 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.698 0.139 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.129 -1.340 -2.261 1.00 0.00 H new ATOM 319 N GLU A 19 -0.729 -1.126 -5.074 1.00 0.00 N ATOM 320 CA GLU A 19 -0.015 -0.493 -6.169 1.00 0.00 C ATOM 321 C GLU A 19 -0.551 -1.026 -7.499 1.00 0.00 C ATOM 322 O GLU A 19 -0.612 -0.250 -8.464 1.00 0.00 O ATOM 323 CB GLU A 19 1.495 -0.716 -6.058 1.00 0.00 C ATOM 324 CG GLU A 19 2.256 0.605 -6.192 1.00 0.00 C ATOM 325 CD GLU A 19 1.884 1.568 -5.063 1.00 0.00 C ATOM 326 OE1 GLU A 19 1.073 1.219 -4.192 1.00 0.00 O ATOM 327 OE2 GLU A 19 2.471 2.716 -5.110 1.00 0.00 O ATOM 0 H GLU A 19 -0.143 -1.700 -4.468 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.182 0.583 -6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.728 -1.178 -5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.822 -1.408 -6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.329 0.414 -6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.030 1.063 -7.155 1.00 0.00 H new ATOM 334 N ASN A 20 -0.924 -2.318 -7.524 1.00 0.00 N ATOM 335 CA ASN A 20 -1.450 -2.946 -8.724 1.00 0.00 C ATOM 336 C ASN A 20 -2.808 -2.329 -9.063 1.00 0.00 C ATOM 337 O ASN A 20 -3.164 -2.302 -10.250 1.00 0.00 O ATOM 338 CB ASN A 20 -1.651 -4.448 -8.517 1.00 0.00 C ATOM 339 CG ASN A 20 -0.426 -5.235 -8.987 1.00 0.00 C ATOM 340 OD1 ASN A 20 0.336 -4.801 -9.835 1.00 0.00 O ATOM 341 ND2 ASN A 20 -0.278 -6.414 -8.389 1.00 0.00 N ATOM 0 H ASN A 20 -0.866 -2.940 -6.718 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.734 -2.786 -9.530 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.836 -4.652 -7.462 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.533 -4.779 -9.065 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.510 -7.014 -8.633 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.952 -6.718 -7.687 1.00 0.00 H new ATOM 348 N GLU A 21 -3.528 -1.853 -8.031 1.00 0.00 N ATOM 349 CA GLU A 21 -4.833 -1.243 -8.219 1.00 0.00 C ATOM 350 C GLU A 21 -4.657 0.247 -8.517 1.00 0.00 C ATOM 351 O GLU A 21 -5.435 0.784 -9.319 1.00 0.00 O ATOM 352 CB GLU A 21 -5.734 -1.456 -7.001 1.00 0.00 C ATOM 353 CG GLU A 21 -7.209 -1.485 -7.407 1.00 0.00 C ATOM 354 CD GLU A 21 -7.662 -2.912 -7.725 1.00 0.00 C ATOM 355 OE1 GLU A 21 -6.846 -3.741 -8.153 1.00 0.00 O ATOM 356 OE2 GLU A 21 -8.912 -3.147 -7.510 1.00 0.00 O ATOM 0 H GLU A 21 -3.217 -1.885 -7.060 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.324 -1.723 -9.065 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.470 -2.392 -6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.568 -0.658 -6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.820 -1.077 -6.602 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.363 -0.848 -8.278 1.00 0.00 H new ATOM 363 N VAL A 22 -3.655 0.875 -7.877 1.00 0.00 N ATOM 364 CA VAL A 22 -3.382 2.289 -8.072 1.00 0.00 C ATOM 365 C VAL A 22 -2.676 2.486 -9.415 1.00 0.00 C ATOM 366 O VAL A 22 -2.819 3.568 -10.003 1.00 0.00 O ATOM 367 CB VAL A 22 -2.581 2.835 -6.889 1.00 0.00 C ATOM 368 CG1 VAL A 22 -2.067 4.247 -7.181 1.00 0.00 C ATOM 369 CG2 VAL A 22 -3.412 2.809 -5.605 1.00 0.00 C ATOM 0 H VAL A 22 -3.025 0.414 -7.220 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.312 2.857 -8.107 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.717 2.187 -6.741 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.501 4.612 -6.324 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.422 4.225 -8.060 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.912 4.910 -7.367 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.819 3.202 -4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.303 3.423 -5.736 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.707 1.783 -5.383 1.00 0.00 H new ATOM 379 N ALA A 23 -1.940 1.455 -9.866 1.00 0.00 N ATOM 380 CA ALA A 23 -1.221 1.516 -11.127 1.00 0.00 C ATOM 381 C ALA A 23 -2.224 1.591 -12.279 1.00 0.00 C ATOM 382 O ALA A 23 -1.902 2.210 -13.303 1.00 0.00 O ATOM 383 CB ALA A 23 -0.429 0.222 -11.331 1.00 0.00 C ATOM 0 H ALA A 23 -1.835 0.572 -9.366 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.564 2.386 -11.108 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.109 0.270 -12.278 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.283 0.098 -10.515 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.114 -0.625 -11.346 1.00 0.00 H new ATOM 389 N ARG A 24 -3.402 0.969 -12.093 1.00 0.00 N ATOM 390 CA ARG A 24 -4.441 0.966 -13.110 1.00 0.00 C ATOM 391 C ARG A 24 -5.241 2.266 -13.019 1.00 0.00 C ATOM 392 O ARG A 24 -5.545 2.846 -14.072 1.00 0.00 O ATOM 393 CB ARG A 24 -5.390 -0.222 -12.942 1.00 0.00 C ATOM 394 CG ARG A 24 -4.789 -1.278 -12.012 1.00 0.00 C ATOM 395 CD ARG A 24 -5.623 -2.561 -12.027 1.00 0.00 C ATOM 396 NE ARG A 24 -4.743 -3.735 -12.221 1.00 0.00 N ATOM 397 CZ ARG A 24 -4.320 -4.173 -13.425 1.00 0.00 C ATOM 398 NH1 ARG A 24 -4.709 -3.519 -14.528 1.00 0.00 N ATOM 399 NH2 ARG A 24 -3.522 -5.246 -13.517 1.00 0.00 N ATOM 0 H ARG A 24 -3.648 0.464 -11.242 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.960 0.881 -14.084 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.342 0.123 -12.539 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.598 -0.666 -13.915 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.768 -1.500 -12.321 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.737 -0.886 -10.996 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.172 -2.659 -11.090 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.362 -2.514 -12.826 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.437 -4.245 -11.392 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.316 -2.703 -14.450 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.398 -3.837 -15.446 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.230 -5.738 -12.673 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.207 -5.570 -14.431 1.00 0.00 H new ATOM 413 N LEU A 25 -5.561 2.692 -11.784 1.00 0.00 N ATOM 414 CA LEU A 25 -6.318 3.912 -11.562 1.00 0.00 C ATOM 415 C LEU A 25 -5.466 5.117 -11.968 1.00 0.00 C ATOM 416 O LEU A 25 -6.007 6.035 -12.601 1.00 0.00 O ATOM 417 CB LEU A 25 -6.822 3.974 -10.118 1.00 0.00 C ATOM 418 CG LEU A 25 -7.910 2.966 -9.744 1.00 0.00 C ATOM 419 CD1 LEU A 25 -8.322 3.123 -8.279 1.00 0.00 C ATOM 420 CD2 LEU A 25 -9.106 3.073 -10.691 1.00 0.00 C ATOM 0 H LEU A 25 -5.301 2.199 -10.930 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.210 3.926 -12.188 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.973 3.826 -9.451 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.204 4.977 -9.930 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.500 1.963 -9.857 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.097 2.395 -8.039 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.456 2.957 -7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.707 4.130 -8.115 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.865 2.345 -10.403 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.526 4.077 -10.634 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.781 2.873 -11.712 1.00 0.00 H new ATOM 432 N LYS A 26 -4.172 5.090 -11.602 1.00 0.00 N ATOM 433 CA LYS A 26 -3.258 6.172 -11.926 1.00 0.00 C ATOM 434 C LYS A 26 -3.161 6.314 -13.446 1.00 0.00 C ATOM 435 O LYS A 26 -2.952 7.440 -13.921 1.00 0.00 O ATOM 436 CB LYS A 26 -1.907 5.956 -11.240 1.00 0.00 C ATOM 437 CG LYS A 26 -1.955 6.408 -9.779 1.00 0.00 C ATOM 438 CD LYS A 26 -0.578 6.879 -9.306 1.00 0.00 C ATOM 439 CE LYS A 26 -0.179 8.185 -9.995 1.00 0.00 C ATOM 440 NZ LYS A 26 1.076 8.704 -9.428 1.00 0.00 N ATOM 0 H LYS A 26 -3.746 4.324 -11.081 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.637 7.119 -11.541 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.635 4.902 -11.289 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.133 6.510 -11.771 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.678 7.216 -9.668 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.298 5.586 -9.151 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.590 7.023 -8.226 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.166 6.110 -9.517 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.059 8.017 -11.065 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.972 8.923 -9.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.333 9.591 -9.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.950 8.883 -8.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.834 8.005 -9.565 1.00 0.00 H new ATOM 454 N LYS A 27 -3.311 5.189 -14.166 1.00 0.00 N ATOM 455 CA LYS A 27 -3.240 5.188 -15.618 1.00 0.00 C ATOM 456 C LYS A 27 -4.469 5.902 -16.184 1.00 0.00 C ATOM 457 O LYS A 27 -4.491 6.167 -17.395 1.00 0.00 O ATOM 458 CB LYS A 27 -3.060 3.763 -16.145 1.00 0.00 C ATOM 459 CG LYS A 27 -2.049 3.727 -17.293 1.00 0.00 C ATOM 460 CD LYS A 27 -1.379 2.355 -17.391 1.00 0.00 C ATOM 461 CE LYS A 27 -2.332 1.246 -16.941 1.00 0.00 C ATOM 462 NZ LYS A 27 -1.926 -0.046 -17.517 1.00 0.00 N ATOM 0 H LYS A 27 -3.482 4.271 -13.755 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.364 5.741 -15.957 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.723 3.113 -15.338 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.019 3.374 -16.488 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.552 3.958 -18.232 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.291 4.495 -17.139 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.063 2.173 -18.418 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.481 2.340 -16.774 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.336 1.181 -15.853 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.350 1.485 -17.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.583 -0.788 -17.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.945 0.015 -18.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.963 -0.279 -17.202 1.00 0.00 H new ATOM 476 N LEU A 28 -5.451 6.195 -15.313 1.00 0.00 N ATOM 477 CA LEU A 28 -6.669 6.872 -15.724 1.00 0.00 C ATOM 478 C LEU A 28 -6.692 8.280 -15.126 1.00 0.00 C ATOM 479 O LEU A 28 -7.226 9.189 -15.778 1.00 0.00 O ATOM 480 CB LEU A 28 -7.896 6.031 -15.365 1.00 0.00 C ATOM 481 CG LEU A 28 -8.918 5.824 -16.485 1.00 0.00 C ATOM 482 CD1 LEU A 28 -8.505 4.666 -17.396 1.00 0.00 C ATOM 483 CD2 LEU A 28 -10.324 5.631 -15.914 1.00 0.00 C ATOM 0 H LEU A 28 -5.413 5.968 -14.319 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.695 6.986 -16.808 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.555 5.053 -15.026 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.401 6.502 -14.522 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.940 6.724 -17.099 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.248 4.540 -18.184 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.535 4.883 -17.844 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.437 3.749 -16.811 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.032 5.486 -16.730 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.336 4.756 -15.264 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.608 6.513 -15.340 1.00 0.00 H new ATOM 495 N VAL A 29 -6.121 8.430 -13.917 1.00 0.00 N ATOM 496 CA VAL A 29 -6.077 9.715 -13.241 1.00 0.00 C ATOM 497 C VAL A 29 -4.652 10.269 -13.300 1.00 0.00 C ATOM 498 O VAL A 29 -4.457 11.331 -13.910 1.00 0.00 O ATOM 499 CB VAL A 29 -6.604 9.573 -11.811 1.00 0.00 C ATOM 500 CG1 VAL A 29 -6.882 10.943 -11.191 1.00 0.00 C ATOM 501 CG2 VAL A 29 -7.853 8.690 -11.773 1.00 0.00 C ATOM 0 H VAL A 29 -5.686 7.668 -13.397 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.726 10.432 -13.743 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.831 9.087 -11.215 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.255 10.814 -10.175 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.961 11.525 -11.168 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.628 11.468 -11.788 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.207 8.605 -10.746 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.633 9.136 -12.390 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.610 7.699 -12.156 1.00 0.00 H new ATOM 511 N GLY A 30 -3.701 9.551 -12.677 1.00 0.00 N ATOM 512 CA GLY A 30 -2.309 9.968 -12.660 1.00 0.00 C ATOM 513 C GLY A 30 -1.750 9.924 -14.083 1.00 0.00 C ATOM 514 O GLY A 30 -0.528 10.064 -14.242 1.00 0.00 O ATOM 0 H GLY A 30 -3.883 8.679 -12.181 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.225 10.976 -12.255 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.729 9.313 -12.009 1.00 0.00 H new ATOM 518 N GLU A 31 -2.639 9.732 -15.074 1.00 0.00 N ATOM 519 CA GLU A 31 -2.237 9.671 -16.469 1.00 0.00 C ATOM 520 C GLU A 31 -1.209 10.769 -16.747 1.00 0.00 C ATOM 521 O GLU A 31 -1.546 11.950 -16.578 1.00 0.00 O ATOM 522 CB GLU A 31 -3.440 9.795 -17.406 1.00 0.00 C ATOM 523 CG GLU A 31 -4.589 10.543 -16.728 1.00 0.00 C ATOM 524 CD GLU A 31 -5.600 11.047 -17.759 1.00 0.00 C ATOM 525 OE1 GLU A 31 -5.086 11.484 -18.859 1.00 0.00 O ATOM 526 OE2 GLU A 31 -6.814 11.015 -17.505 1.00 0.00 O ATOM 0 H GLU A 31 -3.641 9.617 -14.922 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.785 8.698 -16.661 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.145 10.321 -18.314 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.775 8.802 -17.707 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.087 9.884 -16.017 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.194 11.385 -16.159 1.00 0.00 H new ATOM 533 N ARG A 32 0.005 10.365 -17.163 1.00 0.00 N ATOM 534 CA ARG A 32 1.070 11.309 -17.461 1.00 0.00 C ATOM 535 C ARG A 32 0.499 12.476 -18.269 1.00 0.00 C ATOM 536 O ARG A 32 0.027 12.288 -19.388 1.00 0.00 O ATOM 537 CB ARG A 32 2.199 10.651 -18.256 1.00 0.00 C ATOM 538 CG ARG A 32 2.317 9.164 -17.915 1.00 0.00 C ATOM 539 CD ARG A 32 1.626 8.302 -18.974 1.00 0.00 C ATOM 540 NE ARG A 32 0.425 8.998 -19.489 1.00 0.00 N ATOM 541 CZ ARG A 32 -0.763 8.396 -19.709 1.00 0.00 C ATOM 542 NH1 ARG A 32 -0.884 7.086 -19.453 1.00 0.00 N ATOM 543 NH2 ARG A 32 -1.804 9.097 -20.177 1.00 0.00 N ATOM 0 H ARG A 32 0.262 9.387 -17.297 1.00 0.00 H new ATOM 0 HA ARG A 32 1.482 11.664 -16.516 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.013 10.769 -19.324 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.142 11.153 -18.039 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.369 8.886 -17.844 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.871 8.975 -16.939 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.315 8.095 -19.793 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.343 7.341 -18.545 1.00 0.00 H new ATOM 0 HE ARG A 32 0.500 9.995 -19.690 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.086 6.560 -19.098 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.774 6.615 -19.613 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.702 10.093 -20.370 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.698 8.634 -20.340 1.00 0.00 H new TER 557 ARG A 32 ATOM 558 N MET B 1 16.413 -6.766 12.654 1.00 0.00 N ATOM 559 CA MET B 1 15.159 -6.558 13.359 1.00 0.00 C ATOM 560 C MET B 1 14.935 -5.059 13.561 1.00 0.00 C ATOM 561 O MET B 1 13.792 -4.606 13.401 1.00 0.00 O ATOM 562 CB MET B 1 15.191 -7.258 14.720 1.00 0.00 C ATOM 563 CG MET B 1 13.816 -7.823 15.078 1.00 0.00 C ATOM 564 SD MET B 1 13.529 -7.674 16.866 1.00 0.00 S ATOM 565 CE MET B 1 14.739 -8.882 17.481 1.00 0.00 C ATOM 0 H1 MET B 1 16.480 -7.759 12.351 1.00 0.00 H new ATOM 0 H2 MET B 1 16.449 -6.146 11.820 1.00 0.00 H new ATOM 0 H3 MET B 1 17.208 -6.542 13.286 1.00 0.00 H new ATOM 0 HA MET B 1 14.345 -6.977 12.767 1.00 0.00 H new ATOM 0 HB2 MET B 1 15.925 -8.063 14.702 1.00 0.00 H new ATOM 0 HB3 MET B 1 15.510 -6.553 15.488 1.00 0.00 H new ATOM 0 HG2 MET B 1 13.040 -7.287 14.531 1.00 0.00 H new ATOM 0 HG3 MET B 1 13.754 -8.869 14.777 1.00 0.00 H new ATOM 0 HE1 MET B 1 14.600 -9.023 18.553 1.00 0.00 H new ATOM 0 HE2 MET B 1 14.596 -9.833 16.968 1.00 0.00 H new ATOM 0 HE3 MET B 1 15.748 -8.515 17.291 1.00 0.00 H new ATOM 575 N ASP B 2 16.012 -4.329 13.903 1.00 0.00 N ATOM 576 CA ASP B 2 15.933 -2.895 14.124 1.00 0.00 C ATOM 577 C ASP B 2 15.274 -2.233 12.912 1.00 0.00 C ATOM 578 O ASP B 2 14.541 -1.251 13.102 1.00 0.00 O ATOM 579 CB ASP B 2 17.326 -2.287 14.296 1.00 0.00 C ATOM 580 CG ASP B 2 18.350 -3.198 14.975 1.00 0.00 C ATOM 581 OD1 ASP B 2 18.754 -4.193 14.259 1.00 0.00 O ATOM 582 OD2 ASP B 2 18.743 -2.970 16.129 1.00 0.00 O ATOM 0 H ASP B 2 16.945 -4.721 14.030 1.00 0.00 H new ATOM 0 HA ASP B 2 15.351 -2.724 15.030 1.00 0.00 H new ATOM 0 HB2 ASP B 2 17.707 -2.006 13.314 1.00 0.00 H new ATOM 0 HB3 ASP B 2 17.236 -1.370 14.878 1.00 0.00 H new ATOM 587 N ALA B 3 15.544 -2.772 11.710 1.00 0.00 N ATOM 588 CA ALA B 3 14.982 -2.237 10.481 1.00 0.00 C ATOM 589 C ALA B 3 13.651 -2.933 10.189 1.00 0.00 C ATOM 590 O ALA B 3 12.888 -2.421 9.357 1.00 0.00 O ATOM 591 CB ALA B 3 15.905 -2.566 9.306 1.00 0.00 C ATOM 0 H ALA B 3 16.151 -3.580 11.575 1.00 0.00 H new ATOM 0 HA ALA B 3 14.857 -1.161 10.598 1.00 0.00 H new ATOM 0 HB1 ALA B 3 15.481 -2.163 8.386 1.00 0.00 H new ATOM 0 HB2 ALA B 3 16.885 -2.122 9.478 1.00 0.00 H new ATOM 0 HB3 ALA B 3 16.007 -3.647 9.215 1.00 0.00 H new ATOM 597 N ILE B 4 13.403 -4.068 10.868 1.00 0.00 N ATOM 598 CA ILE B 4 12.176 -4.823 10.682 1.00 0.00 C ATOM 599 C ILE B 4 11.030 -4.113 11.405 1.00 0.00 C ATOM 600 O ILE B 4 9.954 -3.970 10.806 1.00 0.00 O ATOM 601 CB ILE B 4 12.371 -6.277 11.118 1.00 0.00 C ATOM 602 CG1 ILE B 4 13.439 -6.966 10.266 1.00 0.00 C ATOM 603 CG2 ILE B 4 11.044 -7.038 11.099 1.00 0.00 C ATOM 604 CD1 ILE B 4 12.967 -8.347 9.807 1.00 0.00 C ATOM 0 H ILE B 4 14.045 -4.473 11.549 1.00 0.00 H new ATOM 0 HA ILE B 4 11.910 -4.863 9.626 1.00 0.00 H new ATOM 0 HB ILE B 4 12.729 -6.280 12.148 1.00 0.00 H new ATOM 0 HG12 ILE B 4 13.670 -6.349 9.397 1.00 0.00 H new ATOM 0 HG13 ILE B 4 14.360 -7.065 10.841 1.00 0.00 H new ATOM 0 HG21 ILE B 4 11.211 -8.068 11.413 1.00 0.00 H new ATOM 0 HG22 ILE B 4 10.341 -6.560 11.781 1.00 0.00 H new ATOM 0 HG23 ILE B 4 10.633 -7.028 10.089 1.00 0.00 H new ATOM 0 HD11 ILE B 4 13.744 -8.815 9.203 1.00 0.00 H new ATOM 0 HD12 ILE B 4 12.760 -8.969 10.678 1.00 0.00 H new ATOM 0 HD13 ILE B 4 12.060 -8.242 9.212 1.00 0.00 H new ATOM 616 N LYS B 5 11.279 -3.688 12.657 1.00 0.00 N ATOM 617 CA LYS B 5 10.275 -3.001 13.450 1.00 0.00 C ATOM 618 C LYS B 5 9.762 -1.786 12.674 1.00 0.00 C ATOM 619 O LYS B 5 8.570 -1.468 12.798 1.00 0.00 O ATOM 620 CB LYS B 5 10.829 -2.657 14.834 1.00 0.00 C ATOM 621 CG LYS B 5 12.353 -2.529 14.799 1.00 0.00 C ATOM 622 CD LYS B 5 12.842 -1.508 15.828 1.00 0.00 C ATOM 623 CE LYS B 5 13.139 -2.182 17.169 1.00 0.00 C ATOM 624 NZ LYS B 5 12.571 -1.398 18.278 1.00 0.00 N ATOM 0 H LYS B 5 12.173 -3.815 13.131 1.00 0.00 H new ATOM 0 HA LYS B 5 9.419 -3.652 13.627 1.00 0.00 H new ATOM 0 HB2 LYS B 5 10.390 -1.722 15.183 1.00 0.00 H new ATOM 0 HB3 LYS B 5 10.542 -3.430 15.547 1.00 0.00 H new ATOM 0 HG2 LYS B 5 12.808 -3.499 15.000 1.00 0.00 H new ATOM 0 HG3 LYS B 5 12.673 -2.227 13.802 1.00 0.00 H new ATOM 0 HD2 LYS B 5 13.741 -1.015 15.458 1.00 0.00 H new ATOM 0 HD3 LYS B 5 12.087 -0.734 15.965 1.00 0.00 H new ATOM 0 HE2 LYS B 5 12.722 -3.189 17.177 1.00 0.00 H new ATOM 0 HE3 LYS B 5 14.216 -2.282 17.301 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 12.782 -1.870 19.180 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 12.989 -0.446 18.279 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 11.541 -1.324 18.159 1.00 0.00 H new ATOM 638 N LYS B 6 10.656 -1.142 11.903 1.00 0.00 N ATOM 639 CA LYS B 6 10.296 0.025 11.117 1.00 0.00 C ATOM 640 C LYS B 6 9.788 -0.425 9.746 1.00 0.00 C ATOM 641 O LYS B 6 8.973 0.297 9.153 1.00 0.00 O ATOM 642 CB LYS B 6 11.468 1.006 11.046 1.00 0.00 C ATOM 643 CG LYS B 6 12.342 0.907 12.298 1.00 0.00 C ATOM 644 CD LYS B 6 12.966 2.262 12.640 1.00 0.00 C ATOM 645 CE LYS B 6 13.634 2.884 11.412 1.00 0.00 C ATOM 646 NZ LYS B 6 15.089 2.663 11.450 1.00 0.00 N ATOM 0 H LYS B 6 11.633 -1.420 11.815 1.00 0.00 H new ATOM 0 HA LYS B 6 9.482 0.570 11.596 1.00 0.00 H new ATOM 0 HB2 LYS B 6 12.069 0.797 10.161 1.00 0.00 H new ATOM 0 HB3 LYS B 6 11.090 2.023 10.941 1.00 0.00 H new ATOM 0 HG2 LYS B 6 11.742 0.557 13.138 1.00 0.00 H new ATOM 0 HG3 LYS B 6 13.129 0.170 12.139 1.00 0.00 H new ATOM 0 HD2 LYS B 6 12.197 2.935 13.020 1.00 0.00 H new ATOM 0 HD3 LYS B 6 13.702 2.137 13.435 1.00 0.00 H new ATOM 0 HE2 LYS B 6 13.217 2.448 10.504 1.00 0.00 H new ATOM 0 HE3 LYS B 6 13.423 3.953 11.378 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 15.527 3.091 10.610 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 15.484 3.100 12.307 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 15.285 1.642 11.460 1.00 0.00 H new ATOM 660 N LYS B 7 10.271 -1.590 9.278 1.00 0.00 N ATOM 661 CA LYS B 7 9.868 -2.129 7.990 1.00 0.00 C ATOM 662 C LYS B 7 8.344 -2.250 7.946 1.00 0.00 C ATOM 663 O LYS B 7 7.741 -1.771 6.974 1.00 0.00 O ATOM 664 CB LYS B 7 10.598 -3.443 7.707 1.00 0.00 C ATOM 665 CG LYS B 7 10.116 -4.067 6.396 1.00 0.00 C ATOM 666 CD LYS B 7 10.179 -3.053 5.251 1.00 0.00 C ATOM 667 CE LYS B 7 10.578 -3.732 3.939 1.00 0.00 C ATOM 668 NZ LYS B 7 9.617 -4.793 3.595 1.00 0.00 N ATOM 0 H LYS B 7 10.942 -2.169 9.783 1.00 0.00 H new ATOM 0 HA LYS B 7 10.157 -1.451 7.187 1.00 0.00 H new ATOM 0 HB2 LYS B 7 11.672 -3.263 7.655 1.00 0.00 H new ATOM 0 HB3 LYS B 7 10.431 -4.140 8.528 1.00 0.00 H new ATOM 0 HG2 LYS B 7 10.731 -4.934 6.154 1.00 0.00 H new ATOM 0 HG3 LYS B 7 9.093 -4.425 6.514 1.00 0.00 H new ATOM 0 HD2 LYS B 7 9.209 -2.570 5.134 1.00 0.00 H new ATOM 0 HD3 LYS B 7 10.898 -2.270 5.493 1.00 0.00 H new ATOM 0 HE2 LYS B 7 10.616 -2.994 3.138 1.00 0.00 H new ATOM 0 HE3 LYS B 7 11.578 -4.155 4.031 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 10.081 -5.720 3.673 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 8.809 -4.754 4.248 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 9.282 -4.655 2.620 1.00 0.00 H new ATOM 682 N MET B 8 7.760 -2.877 8.983 1.00 0.00 N ATOM 683 CA MET B 8 6.320 -3.058 9.062 1.00 0.00 C ATOM 684 C MET B 8 5.645 -1.692 9.193 1.00 0.00 C ATOM 685 O MET B 8 4.474 -1.572 8.805 1.00 0.00 O ATOM 686 CB MET B 8 5.958 -3.926 10.269 1.00 0.00 C ATOM 687 CG MET B 8 6.555 -3.352 11.555 1.00 0.00 C ATOM 688 SD MET B 8 5.949 -4.285 12.992 1.00 0.00 S ATOM 689 CE MET B 8 5.913 -2.960 14.235 1.00 0.00 C ATOM 0 H MET B 8 8.275 -3.264 9.774 1.00 0.00 H new ATOM 0 HA MET B 8 5.974 -3.556 8.156 1.00 0.00 H new ATOM 0 HB2 MET B 8 4.874 -3.990 10.364 1.00 0.00 H new ATOM 0 HB3 MET B 8 6.325 -4.941 10.115 1.00 0.00 H new ATOM 0 HG2 MET B 8 7.643 -3.399 11.513 1.00 0.00 H new ATOM 0 HG3 MET B 8 6.285 -2.301 11.653 1.00 0.00 H new ATOM 0 HE1 MET B 8 5.478 -3.340 15.160 1.00 0.00 H new ATOM 0 HE2 MET B 8 6.928 -2.613 14.427 1.00 0.00 H new ATOM 0 HE3 MET B 8 5.310 -2.130 13.865 1.00 0.00 H new ATOM 699 N GLN B 9 6.384 -0.704 9.730 1.00 0.00 N ATOM 700 CA GLN B 9 5.860 0.639 9.910 1.00 0.00 C ATOM 701 C GLN B 9 5.943 1.396 8.583 1.00 0.00 C ATOM 702 O GLN B 9 5.206 2.380 8.419 1.00 0.00 O ATOM 703 CB GLN B 9 6.605 1.389 11.016 1.00 0.00 C ATOM 704 CG GLN B 9 6.278 0.805 12.392 1.00 0.00 C ATOM 705 CD GLN B 9 6.678 1.772 13.508 1.00 0.00 C ATOM 706 OE1 GLN B 9 5.957 2.694 13.853 1.00 0.00 O ATOM 707 NE2 GLN B 9 7.863 1.512 14.050 1.00 0.00 N ATOM 0 H GLN B 9 7.347 -0.823 10.044 1.00 0.00 H new ATOM 0 HA GLN B 9 4.817 0.569 10.220 1.00 0.00 H new ATOM 0 HB2 GLN B 9 7.679 1.332 10.839 1.00 0.00 H new ATOM 0 HB3 GLN B 9 6.333 2.444 10.991 1.00 0.00 H new ATOM 0 HG2 GLN B 9 5.211 0.592 12.456 1.00 0.00 H new ATOM 0 HG3 GLN B 9 6.801 -0.142 12.522 1.00 0.00 H new ATOM 0 HE21 GLN B 9 8.416 0.724 13.714 1.00 0.00 H new ATOM 0 HE22 GLN B 9 8.220 2.101 14.803 1.00 0.00 H new ATOM 716 N MET B 10 6.822 0.930 7.678 1.00 0.00 N ATOM 717 CA MET B 10 6.996 1.559 6.380 1.00 0.00 C ATOM 718 C MET B 10 5.875 1.104 5.443 1.00 0.00 C ATOM 719 O MET B 10 5.340 1.948 4.710 1.00 0.00 O ATOM 720 CB MET B 10 8.351 1.176 5.780 1.00 0.00 C ATOM 721 CG MET B 10 9.489 1.488 6.753 1.00 0.00 C ATOM 722 SD MET B 10 10.695 2.595 5.965 1.00 0.00 S ATOM 723 CE MET B 10 11.255 3.536 7.415 1.00 0.00 C ATOM 0 H MET B 10 7.419 0.117 7.833 1.00 0.00 H new ATOM 0 HA MET B 10 6.960 2.641 6.502 1.00 0.00 H new ATOM 0 HB2 MET B 10 8.357 0.114 5.536 1.00 0.00 H new ATOM 0 HB3 MET B 10 8.506 1.718 4.847 1.00 0.00 H new ATOM 0 HG2 MET B 10 9.090 1.954 7.654 1.00 0.00 H new ATOM 0 HG3 MET B 10 9.978 0.564 7.061 1.00 0.00 H new ATOM 0 HE1 MET B 10 12.004 4.266 7.108 1.00 0.00 H new ATOM 0 HE2 MET B 10 10.406 4.053 7.863 1.00 0.00 H new ATOM 0 HE3 MET B 10 11.691 2.854 8.145 1.00 0.00 H new ATOM 733 N LEU B 11 5.549 -0.200 5.484 1.00 0.00 N ATOM 734 CA LEU B 11 4.503 -0.759 4.644 1.00 0.00 C ATOM 735 C LEU B 11 3.137 -0.405 5.236 1.00 0.00 C ATOM 736 O LEU B 11 2.160 -0.354 4.475 1.00 0.00 O ATOM 737 CB LEU B 11 4.718 -2.261 4.449 1.00 0.00 C ATOM 738 CG LEU B 11 6.027 -2.669 3.770 1.00 0.00 C ATOM 739 CD1 LEU B 11 6.120 -4.189 3.626 1.00 0.00 C ATOM 740 CD2 LEU B 11 6.195 -1.954 2.428 1.00 0.00 C ATOM 0 H LEU B 11 6.003 -0.879 6.095 1.00 0.00 H new ATOM 0 HA LEU B 11 4.542 -0.323 3.646 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.672 -2.744 5.425 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.889 -2.653 3.860 1.00 0.00 H new ATOM 0 HG LEU B 11 6.854 -2.355 4.407 1.00 0.00 H new ATOM 0 HD11 LEU B 11 7.060 -4.452 3.140 1.00 0.00 H new ATOM 0 HD12 LEU B 11 6.080 -4.651 4.612 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.287 -4.549 3.022 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.133 -2.262 1.967 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.365 -2.214 1.771 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.206 -0.876 2.589 1.00 0.00 H new ATOM 752 N LYS B 12 3.097 -0.172 6.561 1.00 0.00 N ATOM 753 CA LYS B 12 1.862 0.172 7.245 1.00 0.00 C ATOM 754 C LYS B 12 1.509 1.631 6.947 1.00 0.00 C ATOM 755 O LYS B 12 0.312 1.944 6.870 1.00 0.00 O ATOM 756 CB LYS B 12 1.971 -0.141 8.738 1.00 0.00 C ATOM 757 CG LYS B 12 1.061 0.775 9.559 1.00 0.00 C ATOM 758 CD LYS B 12 1.754 2.104 9.866 1.00 0.00 C ATOM 759 CE LYS B 12 1.961 2.279 11.371 1.00 0.00 C ATOM 760 NZ LYS B 12 0.858 3.058 11.957 1.00 0.00 N ATOM 0 H LYS B 12 3.914 -0.219 7.170 1.00 0.00 H new ATOM 0 HA LYS B 12 1.039 -0.438 6.874 1.00 0.00 H new ATOM 0 HB2 LYS B 12 1.701 -1.182 8.916 1.00 0.00 H new ATOM 0 HB3 LYS B 12 3.004 -0.020 9.064 1.00 0.00 H new ATOM 0 HG2 LYS B 12 0.137 0.961 9.012 1.00 0.00 H new ATOM 0 HG3 LYS B 12 0.786 0.280 10.491 1.00 0.00 H new ATOM 0 HD2 LYS B 12 2.717 2.143 9.356 1.00 0.00 H new ATOM 0 HD3 LYS B 12 1.155 2.928 9.479 1.00 0.00 H new ATOM 0 HE2 LYS B 12 2.020 1.303 11.852 1.00 0.00 H new ATOM 0 HE3 LYS B 12 2.909 2.783 11.557 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 0.979 3.109 12.989 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 0.862 4.019 11.559 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -0.048 2.597 11.737 1.00 0.00 H new ATOM 774 N LEU B 13 2.540 2.480 6.787 1.00 0.00 N ATOM 775 CA LEU B 13 2.340 3.890 6.500 1.00 0.00 C ATOM 776 C LEU B 13 1.929 4.055 5.035 1.00 0.00 C ATOM 777 O LEU B 13 0.979 4.806 4.770 1.00 0.00 O ATOM 778 CB LEU B 13 3.582 4.697 6.885 1.00 0.00 C ATOM 779 CG LEU B 13 3.382 6.207 7.029 1.00 0.00 C ATOM 780 CD1 LEU B 13 4.677 6.962 6.724 1.00 0.00 C ATOM 781 CD2 LEU B 13 2.218 6.691 6.163 1.00 0.00 C ATOM 0 H LEU B 13 3.519 2.201 6.854 1.00 0.00 H new ATOM 0 HA LEU B 13 1.528 4.290 7.106 1.00 0.00 H new ATOM 0 HB2 LEU B 13 3.965 4.309 7.829 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.352 4.522 6.133 1.00 0.00 H new ATOM 0 HG LEU B 13 3.121 6.420 8.066 1.00 0.00 H new ATOM 0 HD11 LEU B 13 4.508 8.033 6.833 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.455 6.645 7.418 1.00 0.00 H new ATOM 0 HD13 LEU B 13 4.992 6.747 5.703 1.00 0.00 H new ATOM 0 HD21 LEU B 13 2.098 7.768 6.284 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.424 6.464 5.117 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.302 6.187 6.470 1.00 0.00 H new ATOM 793 N ASP B 14 2.640 3.361 4.129 1.00 0.00 N ATOM 794 CA ASP B 14 2.351 3.431 2.706 1.00 0.00 C ATOM 795 C ASP B 14 0.928 2.929 2.454 1.00 0.00 C ATOM 796 O ASP B 14 0.271 3.453 1.543 1.00 0.00 O ATOM 797 CB ASP B 14 3.312 2.549 1.905 1.00 0.00 C ATOM 798 CG ASP B 14 3.807 3.159 0.593 1.00 0.00 C ATOM 799 OD1 ASP B 14 4.492 4.245 0.720 1.00 0.00 O ATOM 800 OD2 ASP B 14 3.551 2.624 -0.497 1.00 0.00 O ATOM 0 H ASP B 14 3.418 2.747 4.369 1.00 0.00 H new ATOM 0 HA ASP B 14 2.464 4.468 2.389 1.00 0.00 H new ATOM 0 HB2 ASP B 14 4.175 2.318 2.529 1.00 0.00 H new ATOM 0 HB3 ASP B 14 2.816 1.604 1.684 1.00 0.00 H new ATOM 805 N ASN B 15 0.488 1.941 3.253 1.00 0.00 N ATOM 806 CA ASN B 15 -0.845 1.377 3.118 1.00 0.00 C ATOM 807 C ASN B 15 -1.885 2.479 3.330 1.00 0.00 C ATOM 808 O ASN B 15 -2.792 2.603 2.494 1.00 0.00 O ATOM 809 CB ASN B 15 -1.090 0.287 4.163 1.00 0.00 C ATOM 810 CG ASN B 15 -2.043 -0.783 3.626 1.00 0.00 C ATOM 811 OD1 ASN B 15 -3.251 -0.710 3.782 1.00 0.00 O ATOM 812 ND2 ASN B 15 -1.434 -1.778 2.987 1.00 0.00 N ATOM 0 H ASN B 15 1.046 1.523 3.998 1.00 0.00 H new ATOM 0 HA ASN B 15 -0.929 0.945 2.121 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -0.142 -0.173 4.443 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -1.508 0.731 5.066 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -1.983 -2.542 2.592 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -0.418 -1.777 2.892 1.00 0.00 H new ATOM 819 N TYR B 16 -1.735 3.245 4.425 1.00 0.00 N ATOM 820 CA TYR B 16 -2.693 4.306 4.686 1.00 0.00 C ATOM 821 C TYR B 16 -2.671 5.304 3.526 1.00 0.00 C ATOM 822 O TYR B 16 -3.751 5.780 3.148 1.00 0.00 O ATOM 823 CB TYR B 16 -2.376 4.985 6.032 1.00 0.00 C ATOM 824 CG TYR B 16 -2.192 4.022 7.197 1.00 0.00 C ATOM 825 CD1 TYR B 16 -2.828 2.760 7.178 1.00 0.00 C ATOM 826 CD2 TYR B 16 -1.382 4.380 8.299 1.00 0.00 C ATOM 827 CE1 TYR B 16 -2.658 1.863 8.254 1.00 0.00 C ATOM 828 CE2 TYR B 16 -1.211 3.483 9.375 1.00 0.00 C ATOM 829 CZ TYR B 16 -1.850 2.223 9.354 1.00 0.00 C ATOM 830 OH TYR B 16 -1.689 1.352 10.394 1.00 0.00 O ATOM 0 H TYR B 16 -0.987 3.148 5.112 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.698 3.891 4.759 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.468 5.578 5.920 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.182 5.678 6.274 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.446 2.481 6.337 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.893 5.343 8.317 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.147 0.900 8.236 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.591 3.760 10.215 1.00 0.00 H new ATOM 0 HH TYR B 16 -1.629 0.437 10.048 1.00 0.00 H new ATOM 840 N HIS B 17 -1.469 5.602 3.000 1.00 0.00 N ATOM 841 CA HIS B 17 -1.322 6.542 1.902 1.00 0.00 C ATOM 842 C HIS B 17 -1.967 5.957 0.645 1.00 0.00 C ATOM 843 O HIS B 17 -2.619 6.714 -0.090 1.00 0.00 O ATOM 844 CB HIS B 17 0.148 6.916 1.696 1.00 0.00 C ATOM 845 CG HIS B 17 0.606 6.831 0.259 1.00 0.00 C ATOM 846 ND1 HIS B 17 0.544 7.905 -0.612 1.00 0.00 N ATOM 847 CD2 HIS B 17 1.136 5.792 -0.448 1.00 0.00 C ATOM 848 CE1 HIS B 17 1.016 7.517 -1.788 1.00 0.00 C ATOM 849 NE2 HIS B 17 1.382 6.207 -1.684 1.00 0.00 N ATOM 0 H HIS B 17 -0.591 5.198 3.327 1.00 0.00 H new ATOM 0 HA HIS B 17 -1.840 7.471 2.140 1.00 0.00 H new ATOM 0 HB2 HIS B 17 0.309 7.931 2.059 1.00 0.00 H new ATOM 0 HB3 HIS B 17 0.769 6.258 2.304 1.00 0.00 H new ATOM 0 HD2 HIS B 17 1.324 4.799 -0.066 1.00 0.00 H new ATOM 0 HE1 HIS B 17 1.097 8.130 -2.673 1.00 0.00 H new ATOM 0 HE2 HIS B 17 1.779 5.640 -2.433 1.00 0.00 H new ATOM 857 N LEU B 18 -1.778 4.643 0.426 1.00 0.00 N ATOM 858 CA LEU B 18 -2.338 3.967 -0.732 1.00 0.00 C ATOM 859 C LEU B 18 -3.863 3.952 -0.620 1.00 0.00 C ATOM 860 O LEU B 18 -4.532 4.105 -1.652 1.00 0.00 O ATOM 861 CB LEU B 18 -1.719 2.577 -0.891 1.00 0.00 C ATOM 862 CG LEU B 18 -0.263 2.540 -1.358 1.00 0.00 C ATOM 863 CD1 LEU B 18 0.288 1.113 -1.324 1.00 0.00 C ATOM 864 CD2 LEU B 18 -0.114 3.178 -2.741 1.00 0.00 C ATOM 0 H LEU B 18 -1.239 4.037 1.044 1.00 0.00 H new ATOM 0 HA LEU B 18 -2.091 4.507 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -1.786 2.060 0.066 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -2.322 2.012 -1.602 1.00 0.00 H new ATOM 0 HG LEU B 18 0.333 3.132 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU B 18 1.325 1.115 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU B 18 0.238 0.728 -0.306 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -0.306 0.478 -1.981 1.00 0.00 H new ATOM 0 HD21 LEU B 18 0.931 3.139 -3.049 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -0.725 2.634 -3.461 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -0.441 4.217 -2.700 1.00 0.00 H new ATOM 876 N GLU B 19 -4.375 3.771 0.611 1.00 0.00 N ATOM 877 CA GLU B 19 -5.808 3.737 0.852 1.00 0.00 C ATOM 878 C GLU B 19 -6.399 5.122 0.580 1.00 0.00 C ATOM 879 O GLU B 19 -7.388 5.205 -0.163 1.00 0.00 O ATOM 880 CB GLU B 19 -6.127 3.275 2.275 1.00 0.00 C ATOM 881 CG GLU B 19 -7.450 2.508 2.318 1.00 0.00 C ATOM 882 CD GLU B 19 -7.271 1.077 1.808 1.00 0.00 C ATOM 883 OE1 GLU B 19 -6.216 0.472 2.237 1.00 0.00 O ATOM 884 OE2 GLU B 19 -8.109 0.584 1.038 1.00 0.00 O ATOM 0 H GLU B 19 -3.806 3.647 1.449 1.00 0.00 H new ATOM 0 HA GLU B 19 -6.260 3.013 0.174 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -5.322 2.640 2.644 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -6.181 4.138 2.938 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -7.830 2.489 3.339 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -8.194 3.024 1.711 1.00 0.00 H new ATOM 891 N ASN B 20 -5.793 6.164 1.176 1.00 0.00 N ATOM 892 CA ASN B 20 -6.256 7.529 0.999 1.00 0.00 C ATOM 893 C ASN B 20 -6.126 7.920 -0.475 1.00 0.00 C ATOM 894 O ASN B 20 -6.960 8.703 -0.953 1.00 0.00 O ATOM 895 CB ASN B 20 -5.417 8.508 1.824 1.00 0.00 C ATOM 896 CG ASN B 20 -5.228 7.997 3.254 1.00 0.00 C ATOM 897 OD1 ASN B 20 -6.041 7.263 3.790 1.00 0.00 O ATOM 898 ND2 ASN B 20 -4.114 8.427 3.838 1.00 0.00 N ATOM 0 H ASN B 20 -4.979 6.074 1.784 1.00 0.00 H new ATOM 0 HA ASN B 20 -7.294 7.578 1.329 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -4.444 8.647 1.352 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -5.904 9.483 1.844 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -3.897 8.143 4.793 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -3.476 9.041 3.331 1.00 0.00 H new ATOM 905 N GLU B 21 -5.099 7.378 -1.153 1.00 0.00 N ATOM 906 CA GLU B 21 -4.864 7.668 -2.557 1.00 0.00 C ATOM 907 C GLU B 21 -5.838 6.853 -3.412 1.00 0.00 C ATOM 908 O GLU B 21 -6.207 7.325 -4.497 1.00 0.00 O ATOM 909 CB GLU B 21 -3.415 7.384 -2.956 1.00 0.00 C ATOM 910 CG GLU B 21 -3.109 7.941 -4.347 1.00 0.00 C ATOM 911 CD GLU B 21 -1.805 7.360 -4.896 1.00 0.00 C ATOM 912 OE1 GLU B 21 -1.120 6.664 -4.053 1.00 0.00 O ATOM 913 OE2 GLU B 21 -1.477 7.574 -6.073 1.00 0.00 O ATOM 0 H GLU B 21 -4.423 6.736 -0.739 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.037 8.731 -2.727 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.739 7.829 -2.226 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.235 6.309 -2.943 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.930 7.706 -5.025 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -3.035 9.027 -4.299 1.00 0.00 H new ATOM 920 N VAL B 22 -6.227 5.666 -2.914 1.00 0.00 N ATOM 921 CA VAL B 22 -7.148 4.797 -3.627 1.00 0.00 C ATOM 922 C VAL B 22 -8.574 5.323 -3.457 1.00 0.00 C ATOM 923 O VAL B 22 -9.356 5.227 -4.414 1.00 0.00 O ATOM 924 CB VAL B 22 -6.982 3.353 -3.147 1.00 0.00 C ATOM 925 CG1 VAL B 22 -8.309 2.595 -3.223 1.00 0.00 C ATOM 926 CG2 VAL B 22 -5.893 2.632 -3.943 1.00 0.00 C ATOM 0 H VAL B 22 -5.911 5.296 -2.018 1.00 0.00 H new ATOM 0 HA VAL B 22 -6.926 4.799 -4.694 1.00 0.00 H new ATOM 0 HB VAL B 22 -6.670 3.381 -2.103 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -8.164 1.572 -2.877 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -9.048 3.090 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -8.662 2.582 -4.254 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.796 1.608 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -6.162 2.620 -4.999 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.944 3.153 -3.816 1.00 0.00 H new ATOM 936 N ALA B 23 -8.879 5.861 -2.262 1.00 0.00 N ATOM 937 CA ALA B 23 -10.199 6.396 -1.973 1.00 0.00 C ATOM 938 C ALA B 23 -10.423 7.662 -2.802 1.00 0.00 C ATOM 939 O ALA B 23 -11.588 8.030 -3.014 1.00 0.00 O ATOM 940 CB ALA B 23 -10.270 6.826 -0.507 1.00 0.00 C ATOM 0 H ALA B 23 -8.220 5.931 -1.487 1.00 0.00 H new ATOM 0 HA ALA B 23 -10.940 5.629 -2.199 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -11.261 7.227 -0.293 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -10.080 5.965 0.134 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -9.519 7.593 -0.316 1.00 0.00 H new ATOM 946 N ARG B 24 -9.322 8.294 -3.248 1.00 0.00 N ATOM 947 CA ARG B 24 -9.399 9.506 -4.045 1.00 0.00 C ATOM 948 C ARG B 24 -9.442 9.133 -5.529 1.00 0.00 C ATOM 949 O ARG B 24 -10.067 9.872 -6.304 1.00 0.00 O ATOM 950 CB ARG B 24 -8.202 10.424 -3.792 1.00 0.00 C ATOM 951 CG ARG B 24 -8.498 11.412 -2.662 1.00 0.00 C ATOM 952 CD ARG B 24 -9.309 10.745 -1.549 1.00 0.00 C ATOM 953 NE ARG B 24 -9.389 11.642 -0.374 1.00 0.00 N ATOM 954 CZ ARG B 24 -10.226 11.451 0.668 1.00 0.00 C ATOM 955 NH1 ARG B 24 -11.043 10.389 0.659 1.00 0.00 N ATOM 956 NH2 ARG B 24 -10.238 12.310 1.697 1.00 0.00 N ATOM 0 H ARG B 24 -8.371 7.975 -3.063 1.00 0.00 H new ATOM 0 HA ARG B 24 -10.304 10.042 -3.759 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.328 9.825 -3.537 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -7.959 10.970 -4.703 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -7.562 11.796 -2.255 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -9.048 12.266 -3.056 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -10.311 10.512 -1.908 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -8.844 9.801 -1.265 1.00 0.00 H new ATOM 0 HE ARG B 24 -8.773 12.455 -0.350 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -11.026 9.739 -0.127 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -11.681 10.230 1.438 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -9.612 13.115 1.697 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -10.873 12.159 2.480 1.00 0.00 H new ATOM 970 N LEU B 25 -8.788 8.014 -5.888 1.00 0.00 N ATOM 971 CA LEU B 25 -8.753 7.551 -7.265 1.00 0.00 C ATOM 972 C LEU B 25 -10.066 6.838 -7.592 1.00 0.00 C ATOM 973 O LEU B 25 -10.580 7.028 -8.705 1.00 0.00 O ATOM 974 CB LEU B 25 -7.510 6.694 -7.510 1.00 0.00 C ATOM 975 CG LEU B 25 -6.193 7.455 -7.683 1.00 0.00 C ATOM 976 CD1 LEU B 25 -5.008 6.490 -7.756 1.00 0.00 C ATOM 977 CD2 LEU B 25 -6.252 8.384 -8.896 1.00 0.00 C ATOM 0 H LEU B 25 -8.279 7.420 -5.233 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.670 8.395 -7.949 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.400 6.002 -6.675 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.679 6.092 -8.403 1.00 0.00 H new ATOM 0 HG LEU B 25 -6.043 8.083 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -4.085 7.056 -7.879 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -4.956 5.907 -6.837 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -5.137 5.818 -8.605 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -5.304 8.912 -8.996 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -6.437 7.797 -9.795 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.058 9.106 -8.762 1.00 0.00 H new ATOM 989 N LYS B 26 -10.575 6.043 -6.634 1.00 0.00 N ATOM 990 CA LYS B 26 -11.816 5.310 -6.820 1.00 0.00 C ATOM 991 C LYS B 26 -12.978 6.299 -6.920 1.00 0.00 C ATOM 992 O LYS B 26 -13.995 5.954 -7.539 1.00 0.00 O ATOM 993 CB LYS B 26 -11.991 4.265 -5.716 1.00 0.00 C ATOM 994 CG LYS B 26 -11.099 3.047 -5.967 1.00 0.00 C ATOM 995 CD LYS B 26 -11.918 1.867 -6.495 1.00 0.00 C ATOM 996 CE LYS B 26 -12.028 1.917 -8.020 1.00 0.00 C ATOM 997 NZ LYS B 26 -13.067 0.987 -8.492 1.00 0.00 N ATOM 0 H LYS B 26 -10.136 5.899 -5.725 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.792 4.751 -7.756 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.746 4.707 -4.750 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -13.034 3.953 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.320 3.304 -6.685 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.598 2.762 -5.042 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -11.451 0.930 -6.191 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.915 1.885 -6.054 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -12.266 2.931 -8.340 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -11.069 1.658 -8.469 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -13.129 1.033 -9.529 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -12.823 0.018 -8.202 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -13.984 1.252 -8.078 1.00 0.00 H new ATOM 1011 N LYS B 27 -12.808 7.491 -6.320 1.00 0.00 N ATOM 1012 CA LYS B 27 -13.836 8.518 -6.342 1.00 0.00 C ATOM 1013 C LYS B 27 -13.761 9.280 -7.667 1.00 0.00 C ATOM 1014 O LYS B 27 -14.706 10.022 -7.974 1.00 0.00 O ATOM 1015 CB LYS B 27 -13.721 9.417 -5.109 1.00 0.00 C ATOM 1016 CG LYS B 27 -15.102 9.735 -4.533 1.00 0.00 C ATOM 1017 CD LYS B 27 -15.001 10.148 -3.063 1.00 0.00 C ATOM 1018 CE LYS B 27 -14.277 9.080 -2.242 1.00 0.00 C ATOM 1019 NZ LYS B 27 -14.979 8.843 -0.970 1.00 0.00 N ATOM 0 H LYS B 27 -11.962 7.756 -5.816 1.00 0.00 H new ATOM 0 HA LYS B 27 -14.827 8.067 -6.288 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.111 8.925 -4.351 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -13.212 10.343 -5.376 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -15.564 10.537 -5.109 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -15.748 8.862 -4.626 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -14.469 11.096 -2.984 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -16.000 10.309 -2.657 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -14.220 8.152 -2.811 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -13.253 9.397 -2.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -14.474 8.115 -0.425 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -15.011 9.726 -0.421 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -15.948 8.520 -1.163 1.00 0.00 H new ATOM 1033 N LEU B 28 -12.660 9.084 -8.413 1.00 0.00 N ATOM 1034 CA LEU B 28 -12.468 9.748 -9.692 1.00 0.00 C ATOM 1035 C LEU B 28 -12.767 8.762 -10.823 1.00 0.00 C ATOM 1036 O LEU B 28 -13.308 9.193 -11.852 1.00 0.00 O ATOM 1037 CB LEU B 28 -11.071 10.367 -9.769 1.00 0.00 C ATOM 1038 CG LEU B 28 -11.008 11.826 -10.227 1.00 0.00 C ATOM 1039 CD1 LEU B 28 -11.237 12.779 -9.052 1.00 0.00 C ATOM 1040 CD2 LEU B 28 -9.694 12.117 -10.953 1.00 0.00 C ATOM 0 H LEU B 28 -11.894 8.468 -8.142 1.00 0.00 H new ATOM 0 HA LEU B 28 -13.166 10.578 -9.799 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.609 10.296 -8.784 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -10.466 9.767 -10.449 1.00 0.00 H new ATOM 0 HG LEU B 28 -11.814 11.995 -10.941 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -11.187 13.809 -9.404 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -12.219 12.591 -8.617 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -10.468 12.616 -8.296 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -9.675 13.160 -11.268 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -8.857 11.926 -10.281 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -9.611 11.473 -11.828 1.00 0.00 H new ATOM 1052 N VAL B 29 -12.416 7.481 -10.614 1.00 0.00 N ATOM 1053 CA VAL B 29 -12.645 6.447 -11.609 1.00 0.00 C ATOM 1054 C VAL B 29 -13.801 5.555 -11.154 1.00 0.00 C ATOM 1055 O VAL B 29 -14.832 5.527 -11.842 1.00 0.00 O ATOM 1056 CB VAL B 29 -11.353 5.669 -11.863 1.00 0.00 C ATOM 1057 CG1 VAL B 29 -11.457 4.834 -13.141 1.00 0.00 C ATOM 1058 CG2 VAL B 29 -10.148 6.610 -11.920 1.00 0.00 C ATOM 0 H VAL B 29 -11.972 7.148 -9.758 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.933 6.891 -12.562 1.00 0.00 H new ATOM 0 HB VAL B 29 -11.205 4.985 -11.027 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -10.525 4.291 -13.298 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -12.279 4.124 -13.046 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.641 5.491 -13.991 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -9.243 6.031 -12.102 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -10.286 7.330 -12.727 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -10.055 7.140 -10.972 1.00 0.00 H new ATOM 1068 N GLY B 30 -13.611 4.854 -10.022 1.00 0.00 N ATOM 1069 CA GLY B 30 -14.630 3.970 -9.483 1.00 0.00 C ATOM 1070 C GLY B 30 -15.886 4.783 -9.160 1.00 0.00 C ATOM 1071 O GLY B 30 -16.875 4.187 -8.710 1.00 0.00 O ATOM 0 H GLY B 30 -12.754 4.891 -9.470 1.00 0.00 H new ATOM 0 HA2 GLY B 30 -14.865 3.186 -10.203 1.00 0.00 H new ATOM 0 HA3 GLY B 30 -14.261 3.477 -8.584 1.00 0.00 H new ATOM 1075 N GLU B 31 -15.822 6.107 -9.393 1.00 0.00 N ATOM 1076 CA GLU B 31 -16.946 6.990 -9.129 1.00 0.00 C ATOM 1077 C GLU B 31 -18.237 6.320 -9.602 1.00 0.00 C ATOM 1078 O GLU B 31 -18.217 5.685 -10.667 1.00 0.00 O ATOM 1079 CB GLU B 31 -16.758 8.353 -9.798 1.00 0.00 C ATOM 1080 CG GLU B 31 -17.340 8.353 -11.214 1.00 0.00 C ATOM 1081 CD GLU B 31 -18.849 8.604 -11.186 1.00 0.00 C ATOM 1082 OE1 GLU B 31 -19.256 9.374 -10.235 1.00 0.00 O ATOM 1083 OE2 GLU B 31 -19.580 8.080 -12.039 1.00 0.00 O ATOM 0 H GLU B 31 -14.997 6.578 -9.764 1.00 0.00 H new ATOM 0 HA GLU B 31 -17.006 7.169 -8.055 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -17.243 9.125 -9.201 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -15.697 8.600 -9.837 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -16.851 9.122 -11.812 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -17.136 7.397 -11.695 1.00 0.00 H new ATOM 1090 N ARG B 32 -19.317 6.470 -8.815 1.00 0.00 N ATOM 1091 CA ARG B 32 -20.604 5.884 -9.151 1.00 0.00 C ATOM 1092 C ARG B 32 -21.009 6.328 -10.559 1.00 0.00 C ATOM 1093 O ARG B 32 -21.637 7.372 -10.725 1.00 0.00 O ATOM 1094 CB ARG B 32 -21.691 6.303 -8.159 1.00 0.00 C ATOM 1095 CG ARG B 32 -21.087 6.636 -6.793 1.00 0.00 C ATOM 1096 CD ARG B 32 -20.262 5.463 -6.258 1.00 0.00 C ATOM 1097 NE ARG B 32 -20.847 4.183 -6.714 1.00 0.00 N ATOM 1098 CZ ARG B 32 -21.779 3.489 -6.026 1.00 0.00 C ATOM 1099 NH1 ARG B 32 -22.216 3.973 -4.855 1.00 0.00 N ATOM 1100 NH2 ARG B 32 -22.260 2.335 -6.507 1.00 0.00 N ATOM 0 H ARG B 32 -19.312 6.996 -7.941 1.00 0.00 H new ATOM 0 HA ARG B 32 -20.504 4.800 -9.106 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -22.226 7.170 -8.545 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -22.420 5.500 -8.052 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -20.456 7.521 -6.876 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -21.883 6.877 -6.088 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -19.232 5.545 -6.604 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -20.236 5.493 -5.169 1.00 0.00 H new ATOM 0 HE ARG B 32 -20.526 3.801 -7.604 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -21.845 4.853 -4.496 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -22.920 3.462 -4.322 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -21.922 1.974 -7.399 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -22.964 1.817 -5.981 1.00 0.00 H new TER 1114 ARG B 32