USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=16 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 12 LYS NZ :NH3+ 151:sc= -0.922 (180deg=-0.135) USER MOD Set 1.2: B 7 LYS NZ :NH3+ -159:sc= -2.9! (180deg=-0.897) USER MOD Single : A 1 MET CE :methyl 144:sc= -0.169 (180deg=-0.898) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.153) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.0603) USER MOD Single : A 8 MET CE :methyl -169:sc= -6.16! (180deg=-6.83!) USER MOD Single : A 9 GLN : amide:sc=-0.00615 X(o=-0.0061,f=-0.11) USER MOD Single : A 10 MET CE :methyl 174:sc= -1.34! (180deg=-1.81!) USER MOD Single : A 15 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.023) USER MOD Single : A 16 TYR OH : rot 15:sc= -0.935 USER MOD Single : A 17 HIS :FLIP no HD1:sc= -0.0804 F(o=-0.59,f=-0.08) USER MOD Single : A 20 ASN : amide:sc= -0.531 K(o=-0.53,f=-2.6!) USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= -2.77! (180deg=-3.11!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 157:sc= -0.406 (180deg=-1.67) USER MOD Single : B 1 MET N :NH3+ -171:sc= -0.15 (180deg=-0.293) USER MOD Single : B 5 LYS NZ :NH3+ 160:sc= 0.373 (180deg=0.214) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 MET CE :methyl -165:sc=-0.00287 (180deg=-0.306) 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 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.057) USER MOD Single : B 16 TYR OH : rot 180:sc= -0.0203 USER MOD Single : B 17 HIS : no HD1:sc= -0.251 X(o=-0.25,f=0) USER MOD Single : B 20 ASN : amide:sc= -0.214 K(o=-0.21,f=-1.6!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 LYS NZ :NH3+ -177:sc= -2.97! (180deg=-3.19!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.366 -11.307 16.987 1.00 0.00 N ATOM 2 CA MET A 1 9.044 -11.181 15.708 1.00 0.00 C ATOM 3 C MET A 1 8.461 -12.198 14.724 1.00 0.00 C ATOM 4 O MET A 1 8.282 -11.847 13.549 1.00 0.00 O ATOM 5 CB MET A 1 10.545 -11.431 15.873 1.00 0.00 C ATOM 6 CG MET A 1 11.353 -10.588 14.886 1.00 0.00 C ATOM 7 SD MET A 1 12.879 -11.459 14.427 1.00 0.00 S ATOM 8 CE MET A 1 12.624 -11.623 12.636 1.00 0.00 C ATOM 0 H1 MET A 1 8.609 -10.496 17.590 1.00 0.00 H new ATOM 0 H2 MET A 1 7.338 -11.329 16.834 1.00 0.00 H new ATOM 0 H3 MET A 1 8.665 -12.187 17.453 1.00 0.00 H new ATOM 0 HA MET A 1 8.897 -10.171 15.327 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.847 -11.192 16.893 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.761 -12.488 15.716 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.758 -10.386 13.995 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.595 -9.624 15.332 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.579 -11.518 12.121 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.200 -12.603 12.417 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.940 -10.847 12.293 1.00 0.00 H new ATOM 18 N ASP A 2 8.182 -13.419 15.216 1.00 0.00 N ATOM 19 CA ASP A 2 7.626 -14.474 14.386 1.00 0.00 C ATOM 20 C ASP A 2 6.396 -13.942 13.647 1.00 0.00 C ATOM 21 O ASP A 2 6.175 -14.353 12.499 1.00 0.00 O ATOM 22 CB ASP A 2 7.187 -15.669 15.236 1.00 0.00 C ATOM 23 CG ASP A 2 8.037 -15.923 16.482 1.00 0.00 C ATOM 24 OD1 ASP A 2 7.812 -15.123 17.468 1.00 0.00 O ATOM 25 OD2 ASP A 2 8.870 -16.840 16.509 1.00 0.00 O ATOM 0 H ASP A 2 8.337 -13.688 16.188 1.00 0.00 H new ATOM 0 HA ASP A 2 8.397 -14.793 13.685 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.153 -15.516 15.545 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.204 -16.564 14.614 1.00 0.00 H new ATOM 30 N ALA A 3 5.635 -13.053 14.309 1.00 0.00 N ATOM 31 CA ALA A 3 4.441 -12.471 13.719 1.00 0.00 C ATOM 32 C ALA A 3 4.813 -11.173 12.999 1.00 0.00 C ATOM 33 O ALA A 3 3.994 -10.682 12.209 1.00 0.00 O ATOM 34 CB ALA A 3 3.457 -12.082 14.824 1.00 0.00 C ATOM 0 H ALA A 3 5.836 -12.728 15.255 1.00 0.00 H new ATOM 0 HA ALA A 3 4.004 -13.200 13.036 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.563 -11.646 14.378 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.182 -12.969 15.395 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.924 -11.354 15.487 1.00 0.00 H new ATOM 40 N ILE A 4 6.021 -10.652 13.283 1.00 0.00 N ATOM 41 CA ILE A 4 6.492 -9.423 12.668 1.00 0.00 C ATOM 42 C ILE A 4 6.983 -9.724 11.250 1.00 0.00 C ATOM 43 O ILE A 4 6.635 -8.966 10.332 1.00 0.00 O ATOM 44 CB ILE A 4 7.545 -8.751 13.551 1.00 0.00 C ATOM 45 CG1 ILE A 4 6.967 -8.408 14.926 1.00 0.00 C ATOM 46 CG2 ILE A 4 8.142 -7.526 12.859 1.00 0.00 C ATOM 47 CD1 ILE A 4 7.378 -6.999 15.357 1.00 0.00 C ATOM 0 H ILE A 4 6.681 -11.073 13.937 1.00 0.00 H new ATOM 0 HA ILE A 4 5.677 -8.705 12.580 1.00 0.00 H new ATOM 0 HB ILE A 4 8.359 -9.458 13.710 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.880 -8.480 14.896 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.314 -9.133 15.662 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.887 -7.068 13.509 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.613 -7.830 11.924 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.352 -6.805 12.649 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.954 -6.780 16.337 1.00 0.00 H new ATOM 0 HD12 ILE A 4 8.465 -6.937 15.410 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.008 -6.274 14.632 1.00 0.00 H new ATOM 59 N LYS A 5 7.767 -10.807 11.100 1.00 0.00 N ATOM 60 CA LYS A 5 8.297 -11.200 9.805 1.00 0.00 C ATOM 61 C LYS A 5 7.149 -11.312 8.801 1.00 0.00 C ATOM 62 O LYS A 5 7.357 -10.971 7.628 1.00 0.00 O ATOM 63 CB LYS A 5 9.129 -12.478 9.934 1.00 0.00 C ATOM 64 CG LYS A 5 8.680 -13.306 11.140 1.00 0.00 C ATOM 65 CD LYS A 5 8.841 -14.804 10.868 1.00 0.00 C ATOM 66 CE LYS A 5 10.197 -15.309 11.365 1.00 0.00 C ATOM 67 NZ LYS A 5 10.620 -16.491 10.597 1.00 0.00 N ATOM 0 H LYS A 5 8.041 -11.419 11.868 1.00 0.00 H new ATOM 0 HA LYS A 5 8.979 -10.439 9.425 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.033 -13.072 9.025 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.183 -12.221 10.037 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.266 -13.027 12.016 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.638 -13.085 11.370 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.041 -15.355 11.362 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.747 -14.995 9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.943 -14.520 11.269 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.132 -15.560 12.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.542 -16.821 10.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.916 -17.248 10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.701 -16.240 9.591 1.00 0.00 H new ATOM 81 N LYS A 6 5.980 -11.781 9.273 1.00 0.00 N ATOM 82 CA LYS A 6 4.812 -11.935 8.421 1.00 0.00 C ATOM 83 C LYS A 6 4.050 -10.609 8.363 1.00 0.00 C ATOM 84 O LYS A 6 3.427 -10.333 7.327 1.00 0.00 O ATOM 85 CB LYS A 6 3.959 -13.114 8.891 1.00 0.00 C ATOM 86 CG LYS A 6 4.831 -14.221 9.486 1.00 0.00 C ATOM 87 CD LYS A 6 4.130 -15.577 9.407 1.00 0.00 C ATOM 88 CE LYS A 6 4.134 -16.113 7.973 1.00 0.00 C ATOM 89 NZ LYS A 6 2.868 -16.802 7.676 1.00 0.00 N ATOM 0 H LYS A 6 5.830 -12.057 10.243 1.00 0.00 H new ATOM 0 HA LYS A 6 5.113 -12.175 7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.240 -12.773 9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.386 -13.509 8.053 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.780 -14.267 8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.061 -13.987 10.525 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.629 -16.287 10.066 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.103 -15.481 9.760 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.281 -15.291 7.272 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.969 -16.800 7.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.888 -17.159 6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.744 -17.598 8.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.077 -16.136 7.785 1.00 0.00 H new ATOM 103 N LYS A 7 4.114 -9.829 9.457 1.00 0.00 N ATOM 104 CA LYS A 7 3.435 -8.547 9.528 1.00 0.00 C ATOM 105 C LYS A 7 3.794 -7.715 8.296 1.00 0.00 C ATOM 106 O LYS A 7 2.888 -7.102 7.713 1.00 0.00 O ATOM 107 CB LYS A 7 3.746 -7.849 10.853 1.00 0.00 C ATOM 108 CG LYS A 7 3.043 -6.493 10.938 1.00 0.00 C ATOM 109 CD LYS A 7 1.571 -6.614 10.537 1.00 0.00 C ATOM 110 CE LYS A 7 0.772 -5.399 11.013 1.00 0.00 C ATOM 111 NZ LYS A 7 -0.427 -5.212 10.180 1.00 0.00 N ATOM 0 H LYS A 7 4.633 -10.075 10.300 1.00 0.00 H new ATOM 0 HA LYS A 7 2.354 -8.687 9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.428 -8.480 11.683 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.823 -7.711 10.951 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.116 -6.104 11.954 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.544 -5.778 10.286 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.492 -6.704 9.454 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.147 -7.523 10.965 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.481 -5.533 12.055 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.396 -4.506 10.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.442 -4.242 9.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.410 -5.888 9.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.278 -5.374 10.755 1.00 0.00 H new ATOM 125 N MET A 8 5.088 -7.709 7.929 1.00 0.00 N ATOM 126 CA MET A 8 5.560 -6.959 6.778 1.00 0.00 C ATOM 127 C MET A 8 5.170 -7.700 5.498 1.00 0.00 C ATOM 128 O MET A 8 5.101 -7.056 4.441 1.00 0.00 O ATOM 129 CB MET A 8 7.081 -6.798 6.833 1.00 0.00 C ATOM 130 CG MET A 8 7.769 -8.152 7.013 1.00 0.00 C ATOM 131 SD MET A 8 9.473 -8.071 6.387 1.00 0.00 S ATOM 132 CE MET A 8 10.220 -6.995 7.645 1.00 0.00 C ATOM 0 H MET A 8 5.819 -8.221 8.423 1.00 0.00 H new ATOM 0 HA MET A 8 5.103 -5.970 6.787 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.434 -6.326 5.916 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.351 -6.137 7.656 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.773 -8.430 8.067 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.214 -8.925 6.481 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.210 -6.681 7.314 1.00 0.00 H new ATOM 0 HE2 MET A 8 9.592 -6.117 7.792 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.307 -7.540 8.585 1.00 0.00 H new ATOM 142 N GLN A 9 4.929 -9.018 5.614 1.00 0.00 N ATOM 143 CA GLN A 9 4.551 -9.836 4.474 1.00 0.00 C ATOM 144 C GLN A 9 3.106 -9.520 4.083 1.00 0.00 C ATOM 145 O GLN A 9 2.777 -9.640 2.894 1.00 0.00 O ATOM 146 CB GLN A 9 4.726 -11.327 4.769 1.00 0.00 C ATOM 147 CG GLN A 9 6.195 -11.739 4.655 1.00 0.00 C ATOM 148 CD GLN A 9 6.323 -13.226 4.320 1.00 0.00 C ATOM 149 OE1 GLN A 9 5.778 -13.719 3.347 1.00 0.00 O ATOM 150 NE2 GLN A 9 7.072 -13.912 5.179 1.00 0.00 N ATOM 0 H GLN A 9 4.993 -9.530 6.494 1.00 0.00 H new ATOM 0 HA GLN A 9 5.210 -9.599 3.639 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.359 -11.549 5.771 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.125 -11.912 4.073 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.684 -11.145 3.883 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.709 -11.528 5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.500 -13.438 5.974 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.218 -14.912 5.043 1.00 0.00 H new ATOM 159 N MET A 10 2.284 -9.132 5.075 1.00 0.00 N ATOM 160 CA MET A 10 0.889 -8.804 4.835 1.00 0.00 C ATOM 161 C MET A 10 0.793 -7.386 4.270 1.00 0.00 C ATOM 162 O MET A 10 -0.069 -7.151 3.410 1.00 0.00 O ATOM 163 CB MET A 10 0.091 -8.892 6.138 1.00 0.00 C ATOM 164 CG MET A 10 0.900 -9.590 7.232 1.00 0.00 C ATOM 165 SD MET A 10 -0.126 -9.818 8.714 1.00 0.00 S ATOM 166 CE MET A 10 -1.780 -9.762 7.965 1.00 0.00 C ATOM 0 H MET A 10 2.574 -9.041 6.049 1.00 0.00 H new ATOM 0 HA MET A 10 0.474 -9.515 4.121 1.00 0.00 H new ATOM 0 HB2 MET A 10 -0.184 -7.890 6.468 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.837 -9.437 5.964 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.255 -10.556 6.873 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.782 -8.998 7.478 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.530 -9.993 8.721 1.00 0.00 H new ATOM 0 HE2 MET A 10 -1.964 -8.765 7.564 1.00 0.00 H new ATOM 0 HE3 MET A 10 -1.840 -10.494 7.160 1.00 0.00 H new ATOM 176 N LEU A 11 1.663 -6.483 4.756 1.00 0.00 N ATOM 177 CA LEU A 11 1.676 -5.103 4.303 1.00 0.00 C ATOM 178 C LEU A 11 2.365 -5.025 2.940 1.00 0.00 C ATOM 179 O LEU A 11 2.053 -4.102 2.173 1.00 0.00 O ATOM 180 CB LEU A 11 2.305 -4.196 5.364 1.00 0.00 C ATOM 181 CG LEU A 11 1.649 -4.227 6.747 1.00 0.00 C ATOM 182 CD1 LEU A 11 2.562 -3.593 7.798 1.00 0.00 C ATOM 183 CD2 LEU A 11 0.269 -3.570 6.714 1.00 0.00 C ATOM 0 H LEU A 11 2.364 -6.697 5.465 1.00 0.00 H new ATOM 0 HA LEU A 11 0.658 -4.737 4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.354 -4.473 5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.283 -3.170 4.996 1.00 0.00 H new ATOM 0 HG LEU A 11 1.501 -5.268 7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.074 -3.627 8.772 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.502 -4.144 7.844 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.762 -2.556 7.528 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.175 -3.606 7.709 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.368 -2.532 6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.371 -4.104 6.012 1.00 0.00 H new ATOM 195 N LYS A 12 3.274 -5.979 2.669 1.00 0.00 N ATOM 196 CA LYS A 12 3.998 -6.017 1.410 1.00 0.00 C ATOM 197 C LYS A 12 3.070 -6.530 0.307 1.00 0.00 C ATOM 198 O LYS A 12 3.176 -6.043 -0.828 1.00 0.00 O ATOM 199 CB LYS A 12 5.286 -6.829 1.558 1.00 0.00 C ATOM 200 CG LYS A 12 6.449 -5.940 1.999 1.00 0.00 C ATOM 201 CD LYS A 12 7.775 -6.445 1.427 1.00 0.00 C ATOM 202 CE LYS A 12 8.398 -7.504 2.339 1.00 0.00 C ATOM 203 NZ LYS A 12 8.803 -6.907 3.620 1.00 0.00 N ATOM 0 H LYS A 12 3.517 -6.731 3.315 1.00 0.00 H new ATOM 0 HA LYS A 12 4.312 -5.014 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.136 -7.625 2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.529 -7.307 0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.274 -4.916 1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.503 -5.920 3.087 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.610 -6.866 0.435 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.466 -5.610 1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.682 -8.307 2.515 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.263 -7.950 1.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.754 -7.627 4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.777 -6.551 3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.164 -6.120 3.854 1.00 0.00 H new ATOM 217 N LEU A 13 2.193 -7.487 0.656 1.00 0.00 N ATOM 218 CA LEU A 13 1.256 -8.058 -0.297 1.00 0.00 C ATOM 219 C LEU A 13 0.162 -7.035 -0.606 1.00 0.00 C ATOM 220 O LEU A 13 -0.217 -6.912 -1.781 1.00 0.00 O ATOM 221 CB LEU A 13 0.720 -9.398 0.214 1.00 0.00 C ATOM 222 CG LEU A 13 0.198 -10.362 -0.853 1.00 0.00 C ATOM 223 CD1 LEU A 13 -0.816 -11.341 -0.256 1.00 0.00 C ATOM 224 CD2 LEU A 13 -0.378 -9.599 -2.048 1.00 0.00 C ATOM 0 H LEU A 13 2.122 -7.875 1.597 1.00 0.00 H new ATOM 0 HA LEU A 13 1.759 -8.281 -1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.515 -9.897 0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.086 -9.199 0.921 1.00 0.00 H new ATOM 0 HG LEU A 13 1.038 -10.951 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.172 -12.016 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.340 -11.920 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.659 -10.786 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.742 -10.308 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.202 -8.968 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.399 -8.976 -2.491 1.00 0.00 H new ATOM 236 N ASP A 14 -0.318 -6.334 0.436 1.00 0.00 N ATOM 237 CA ASP A 14 -1.358 -5.332 0.277 1.00 0.00 C ATOM 238 C ASP A 14 -0.811 -4.159 -0.538 1.00 0.00 C ATOM 239 O ASP A 14 -1.593 -3.531 -1.267 1.00 0.00 O ATOM 240 CB ASP A 14 -1.816 -4.793 1.634 1.00 0.00 C ATOM 241 CG ASP A 14 -3.326 -4.590 1.773 1.00 0.00 C ATOM 242 OD1 ASP A 14 -4.087 -5.553 1.947 1.00 0.00 O ATOM 243 OD2 ASP A 14 -3.721 -3.364 1.694 1.00 0.00 O ATOM 0 H ASP A 14 0.006 -6.452 1.396 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.202 -5.800 -0.228 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.484 -5.480 2.412 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.318 -3.841 1.817 1.00 0.00 H new ATOM 248 N ASN A 15 0.500 -3.890 -0.401 1.00 0.00 N ATOM 249 CA ASN A 15 1.143 -2.803 -1.119 1.00 0.00 C ATOM 250 C ASN A 15 1.102 -3.095 -2.621 1.00 0.00 C ATOM 251 O ASN A 15 0.718 -2.198 -3.385 1.00 0.00 O ATOM 252 CB ASN A 15 2.609 -2.660 -0.704 1.00 0.00 C ATOM 253 CG ASN A 15 3.094 -1.221 -0.893 1.00 0.00 C ATOM 254 OD1 ASN A 15 3.490 -0.809 -1.970 1.00 0.00 O ATOM 255 ND2 ASN A 15 3.040 -0.483 0.212 1.00 0.00 N ATOM 0 H ASN A 15 1.127 -4.419 0.205 1.00 0.00 H new ATOM 0 HA ASN A 15 0.611 -1.881 -0.884 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.726 -2.953 0.339 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.226 -3.336 -1.296 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.341 0.491 0.190 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.697 -0.891 1.082 1.00 0.00 H new ATOM 262 N TYR A 16 1.492 -4.324 -3.006 1.00 0.00 N ATOM 263 CA TYR A 16 1.480 -4.662 -4.419 1.00 0.00 C ATOM 264 C TYR A 16 0.039 -4.648 -4.930 1.00 0.00 C ATOM 265 O TYR A 16 -0.167 -4.238 -6.082 1.00 0.00 O ATOM 266 CB TYR A 16 2.154 -6.028 -4.641 1.00 0.00 C ATOM 267 CG TYR A 16 3.449 -6.227 -3.865 1.00 0.00 C ATOM 268 CD1 TYR A 16 4.356 -5.154 -3.718 1.00 0.00 C ATOM 269 CD2 TYR A 16 3.749 -7.481 -3.284 1.00 0.00 C ATOM 270 CE1 TYR A 16 5.556 -5.332 -2.998 1.00 0.00 C ATOM 271 CE2 TYR A 16 4.950 -7.660 -2.564 1.00 0.00 C ATOM 272 CZ TYR A 16 5.855 -6.585 -2.421 1.00 0.00 C ATOM 273 OH TYR A 16 7.019 -6.754 -1.725 1.00 0.00 O ATOM 0 H TYR A 16 1.805 -5.065 -2.379 1.00 0.00 H new ATOM 0 HA TYR A 16 2.048 -3.923 -4.984 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.453 -6.814 -4.361 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.360 -6.149 -5.704 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.130 -4.194 -4.158 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.058 -8.304 -3.391 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.246 -4.509 -2.888 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.177 -8.619 -2.122 1.00 0.00 H new ATOM 0 HH TYR A 16 7.406 -5.878 -1.518 1.00 0.00 H new ATOM 283 N HIS A 17 -0.913 -5.093 -4.089 1.00 0.00 N ATOM 284 CA HIS A 17 -2.314 -5.138 -4.466 1.00 0.00 C ATOM 285 C HIS A 17 -2.841 -3.710 -4.627 1.00 0.00 C ATOM 286 O HIS A 17 -3.700 -3.491 -5.493 1.00 0.00 O ATOM 287 CB HIS A 17 -3.127 -5.958 -3.462 1.00 0.00 C ATOM 288 CG HIS A 17 -4.380 -5.272 -2.979 1.00 0.00 C ATOM 289 ND1 HIS A 17 -4.608 -4.506 -1.873 1.00 0.00 N flip ATOM 290 CD2 HIS A 17 -5.583 -5.336 -3.663 1.00 0.00 C flip ATOM 291 CE1 HIS A 17 -5.879 -4.123 -1.881 1.00 0.00 C flip ATOM 292 NE2 HIS A 17 -6.485 -4.637 -2.990 1.00 0.00 N flip ATOM 0 H HIS A 17 -0.723 -5.425 -3.143 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.420 -5.645 -5.425 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.400 -6.908 -3.921 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.497 -6.188 -2.603 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.756 -5.866 -4.588 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.355 -3.506 -1.133 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -7.461 -4.506 -3.255 1.00 0.00 H new ATOM 300 N LEU A 18 -2.322 -2.781 -3.803 1.00 0.00 N ATOM 301 CA LEU A 18 -2.736 -1.389 -3.854 1.00 0.00 C ATOM 302 C LEU A 18 -2.069 -0.707 -5.049 1.00 0.00 C ATOM 303 O LEU A 18 -2.758 0.032 -5.767 1.00 0.00 O ATOM 304 CB LEU A 18 -2.459 -0.699 -2.517 1.00 0.00 C ATOM 305 CG LEU A 18 -3.340 -1.131 -1.343 1.00 0.00 C ATOM 306 CD1 LEU A 18 -2.700 -0.746 -0.007 1.00 0.00 C ATOM 307 CD2 LEU A 18 -4.755 -0.568 -1.484 1.00 0.00 C ATOM 0 H LEU A 18 -1.614 -2.982 -3.096 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.813 -1.316 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.418 -0.876 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.574 0.376 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.423 -2.218 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.346 -1.064 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.730 -1.234 0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.567 0.335 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.361 -0.890 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.713 0.521 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.201 -0.933 -2.409 1.00 0.00 H new ATOM 319 N GLU A 19 -0.762 -0.962 -5.236 1.00 0.00 N ATOM 320 CA GLU A 19 -0.011 -0.376 -6.333 1.00 0.00 C ATOM 321 C GLU A 19 -0.497 -0.976 -7.655 1.00 0.00 C ATOM 322 O GLU A 19 -0.501 -0.255 -8.664 1.00 0.00 O ATOM 323 CB GLU A 19 1.494 -0.582 -6.158 1.00 0.00 C ATOM 324 CG GLU A 19 2.242 0.751 -6.232 1.00 0.00 C ATOM 325 CD GLU A 19 2.822 0.977 -7.629 1.00 0.00 C ATOM 326 OE1 GLU A 19 2.154 0.688 -8.633 1.00 0.00 O ATOM 327 OE2 GLU A 19 4.013 1.475 -7.651 1.00 0.00 O ATOM 0 H GLU A 19 -0.212 -1.574 -4.633 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.184 0.700 -6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.690 -1.060 -5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.865 -1.255 -6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.565 1.567 -5.979 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.045 0.763 -5.495 1.00 0.00 H new ATOM 334 N ASN A 20 -0.889 -2.262 -7.624 1.00 0.00 N ATOM 335 CA ASN A 20 -1.371 -2.949 -8.810 1.00 0.00 C ATOM 336 C ASN A 20 -2.704 -2.335 -9.244 1.00 0.00 C ATOM 337 O ASN A 20 -2.954 -2.266 -10.457 1.00 0.00 O ATOM 338 CB ASN A 20 -1.604 -4.435 -8.529 1.00 0.00 C ATOM 339 CG ASN A 20 -0.344 -5.253 -8.819 1.00 0.00 C ATOM 340 OD1 ASN A 20 0.545 -4.834 -9.542 1.00 0.00 O ATOM 341 ND2 ASN A 20 -0.317 -6.438 -8.217 1.00 0.00 N ATOM 0 H ASN A 20 -0.877 -2.838 -6.782 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.618 -2.843 -9.591 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.898 -4.570 -7.488 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.428 -4.800 -9.143 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.482 -7.058 -8.348 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.095 -6.727 -7.625 1.00 0.00 H new ATOM 348 N GLU A 21 -3.518 -1.908 -8.262 1.00 0.00 N ATOM 349 CA GLU A 21 -4.810 -1.306 -8.541 1.00 0.00 C ATOM 350 C GLU A 21 -4.613 0.163 -8.919 1.00 0.00 C ATOM 351 O GLU A 21 -5.236 0.610 -9.894 1.00 0.00 O ATOM 352 CB GLU A 21 -5.763 -1.444 -7.352 1.00 0.00 C ATOM 353 CG GLU A 21 -7.171 -1.818 -7.817 1.00 0.00 C ATOM 354 CD GLU A 21 -8.202 -1.540 -6.721 1.00 0.00 C ATOM 355 OE1 GLU A 21 -7.832 -1.135 -5.610 1.00 0.00 O ATOM 356 OE2 GLU A 21 -9.428 -1.759 -7.058 1.00 0.00 O ATOM 0 H GLU A 21 -3.292 -1.974 -7.269 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.268 -1.834 -9.377 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.388 -2.205 -6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.797 -0.506 -6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.425 -1.251 -8.712 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.200 -2.873 -8.089 1.00 0.00 H new ATOM 363 N VAL A 22 -3.764 0.874 -8.155 1.00 0.00 N ATOM 364 CA VAL A 22 -3.491 2.277 -8.409 1.00 0.00 C ATOM 365 C VAL A 22 -2.796 2.420 -9.764 1.00 0.00 C ATOM 366 O VAL A 22 -3.012 3.442 -10.433 1.00 0.00 O ATOM 367 CB VAL A 22 -2.677 2.868 -7.255 1.00 0.00 C ATOM 368 CG1 VAL A 22 -1.995 4.172 -7.676 1.00 0.00 C ATOM 369 CG2 VAL A 22 -3.554 3.082 -6.019 1.00 0.00 C ATOM 0 H VAL A 22 -3.260 0.487 -7.357 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.421 2.844 -8.459 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.898 2.152 -6.993 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.423 4.571 -6.838 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.324 3.978 -8.513 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.751 4.897 -7.977 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.952 3.503 -5.214 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.365 3.769 -6.263 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.971 2.127 -5.699 1.00 0.00 H new ATOM 379 N ALA A 23 -1.988 1.411 -10.137 1.00 0.00 N ATOM 380 CA ALA A 23 -1.271 1.424 -11.400 1.00 0.00 C ATOM 381 C ALA A 23 -2.275 1.528 -12.550 1.00 0.00 C ATOM 382 O ALA A 23 -1.872 1.940 -13.648 1.00 0.00 O ATOM 383 CB ALA A 23 -0.538 0.096 -11.590 1.00 0.00 C ATOM 0 H ALA A 23 -1.823 0.579 -9.571 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.576 2.264 -11.394 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.001 0.109 -12.539 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.170 -0.049 -10.774 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.260 -0.721 -11.593 1.00 0.00 H new ATOM 389 N ARG A 24 -3.540 1.161 -12.280 1.00 0.00 N ATOM 390 CA ARG A 24 -4.588 1.214 -13.286 1.00 0.00 C ATOM 391 C ARG A 24 -5.292 2.570 -13.213 1.00 0.00 C ATOM 392 O ARG A 24 -5.611 3.127 -14.274 1.00 0.00 O ATOM 393 CB ARG A 24 -5.619 0.101 -13.083 1.00 0.00 C ATOM 394 CG ARG A 24 -4.980 -1.126 -12.430 1.00 0.00 C ATOM 395 CD ARG A 24 -6.016 -2.231 -12.209 1.00 0.00 C ATOM 396 NE ARG A 24 -5.723 -3.381 -13.093 1.00 0.00 N ATOM 397 CZ ARG A 24 -6.260 -3.549 -14.320 1.00 0.00 C ATOM 398 NH1 ARG A 24 -7.114 -2.628 -14.787 1.00 0.00 N ATOM 399 NH2 ARG A 24 -5.944 -4.621 -15.060 1.00 0.00 N ATOM 0 H ARG A 24 -3.851 0.825 -11.368 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.125 1.076 -14.263 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.435 0.466 -12.459 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.052 -0.178 -14.044 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.173 -1.500 -13.061 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.534 -0.844 -11.476 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.003 -2.550 -11.167 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.016 -1.850 -12.414 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.074 -4.091 -12.754 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.349 -1.815 -14.217 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.529 -2.740 -15.712 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.293 -5.317 -14.697 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.354 -4.740 -15.986 1.00 0.00 H new ATOM 413 N LEU A 25 -5.515 3.068 -11.983 1.00 0.00 N ATOM 414 CA LEU A 25 -6.174 4.346 -11.778 1.00 0.00 C ATOM 415 C LEU A 25 -5.218 5.476 -12.167 1.00 0.00 C ATOM 416 O LEU A 25 -5.674 6.448 -12.787 1.00 0.00 O ATOM 417 CB LEU A 25 -6.702 4.453 -10.346 1.00 0.00 C ATOM 418 CG LEU A 25 -7.890 3.554 -10.000 1.00 0.00 C ATOM 419 CD1 LEU A 25 -7.439 2.108 -9.787 1.00 0.00 C ATOM 420 CD2 LEU A 25 -8.657 4.098 -8.794 1.00 0.00 C ATOM 0 H LEU A 25 -5.243 2.594 -11.122 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.049 4.431 -12.423 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.886 4.223 -9.661 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.990 5.488 -10.162 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.577 3.556 -10.846 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.303 1.490 -9.542 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.972 1.735 -10.698 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.720 2.068 -8.968 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.496 3.440 -8.570 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.992 4.145 -7.931 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.030 5.097 -9.020 1.00 0.00 H new ATOM 432 N LYS A 26 -3.932 5.329 -11.801 1.00 0.00 N ATOM 433 CA LYS A 26 -2.925 6.331 -12.108 1.00 0.00 C ATOM 434 C LYS A 26 -2.844 6.517 -13.625 1.00 0.00 C ATOM 435 O LYS A 26 -2.424 7.597 -14.065 1.00 0.00 O ATOM 436 CB LYS A 26 -1.588 5.962 -11.463 1.00 0.00 C ATOM 437 CG LYS A 26 -1.294 6.858 -10.259 1.00 0.00 C ATOM 438 CD LYS A 26 -2.553 7.076 -9.417 1.00 0.00 C ATOM 439 CE LYS A 26 -3.176 8.444 -9.707 1.00 0.00 C ATOM 440 NZ LYS A 26 -3.049 9.326 -8.535 1.00 0.00 N ATOM 0 H LYS A 26 -3.576 4.520 -11.292 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.204 7.295 -11.681 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.608 4.919 -11.148 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.788 6.058 -12.197 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.516 6.405 -9.645 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.910 7.819 -10.601 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.278 6.290 -9.629 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.304 7.003 -8.358 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.685 8.899 -10.567 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.228 8.324 -9.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.154 10.317 -8.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.789 9.093 -7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.114 9.192 -8.100 1.00 0.00 H new ATOM 454 N LYS A 27 -3.243 5.479 -14.382 1.00 0.00 N ATOM 455 CA LYS A 27 -3.215 5.528 -15.834 1.00 0.00 C ATOM 456 C LYS A 27 -4.459 6.264 -16.338 1.00 0.00 C ATOM 457 O LYS A 27 -4.470 6.669 -17.509 1.00 0.00 O ATOM 458 CB LYS A 27 -3.055 4.122 -16.415 1.00 0.00 C ATOM 459 CG LYS A 27 -2.096 4.128 -17.608 1.00 0.00 C ATOM 460 CD LYS A 27 -2.188 2.818 -18.391 1.00 0.00 C ATOM 461 CE LYS A 27 -1.970 1.613 -17.473 1.00 0.00 C ATOM 462 NZ LYS A 27 -0.943 0.719 -18.030 1.00 0.00 N ATOM 0 H LYS A 27 -3.588 4.598 -14.000 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.348 6.091 -16.180 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.680 3.447 -15.646 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.027 3.741 -16.727 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.332 4.966 -18.264 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.075 4.275 -17.257 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.165 2.744 -18.869 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.443 2.813 -19.187 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.666 1.953 -16.483 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.906 1.069 -17.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.808 -0.093 -17.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.248 0.380 -18.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.046 1.237 -18.125 1.00 0.00 H new ATOM 476 N LEU A 28 -5.466 6.418 -15.458 1.00 0.00 N ATOM 477 CA LEU A 28 -6.699 7.097 -15.812 1.00 0.00 C ATOM 478 C LEU A 28 -6.731 8.471 -15.140 1.00 0.00 C ATOM 479 O LEU A 28 -7.271 9.410 -15.743 1.00 0.00 O ATOM 480 CB LEU A 28 -7.909 6.221 -15.478 1.00 0.00 C ATOM 481 CG LEU A 28 -8.926 6.024 -16.604 1.00 0.00 C ATOM 482 CD1 LEU A 28 -8.442 4.971 -17.602 1.00 0.00 C ATOM 483 CD2 LEU A 28 -10.309 5.688 -16.041 1.00 0.00 C ATOM 0 H LEU A 28 -5.437 6.076 -14.498 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.744 7.266 -16.888 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.548 5.241 -15.166 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.424 6.658 -14.623 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.020 6.964 -17.148 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.183 4.850 -18.392 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.496 5.291 -18.038 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.302 4.020 -17.088 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.013 5.553 -16.862 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.251 4.769 -15.458 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.649 6.503 -15.402 1.00 0.00 H new ATOM 495 N VAL A 29 -6.162 8.561 -13.925 1.00 0.00 N ATOM 496 CA VAL A 29 -6.125 9.808 -13.181 1.00 0.00 C ATOM 497 C VAL A 29 -4.708 10.383 -13.227 1.00 0.00 C ATOM 498 O VAL A 29 -4.545 11.510 -13.717 1.00 0.00 O ATOM 499 CB VAL A 29 -6.632 9.581 -11.755 1.00 0.00 C ATOM 500 CG1 VAL A 29 -6.926 10.912 -11.061 1.00 0.00 C ATOM 501 CG2 VAL A 29 -7.865 8.676 -11.749 1.00 0.00 C ATOM 0 H VAL A 29 -5.723 7.775 -13.446 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.789 10.544 -13.635 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.844 9.077 -11.195 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.285 10.723 -10.049 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.015 11.509 -11.017 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.688 11.454 -11.621 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.205 8.531 -10.724 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.660 9.140 -12.332 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.610 7.711 -12.187 1.00 0.00 H new ATOM 511 N GLY A 30 -3.727 9.610 -12.726 1.00 0.00 N ATOM 512 CA GLY A 30 -2.340 10.040 -12.710 1.00 0.00 C ATOM 513 C GLY A 30 -1.862 10.259 -14.147 1.00 0.00 C ATOM 514 O GLY A 30 -0.703 10.658 -14.329 1.00 0.00 O ATOM 0 H GLY A 30 -3.883 8.684 -12.329 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.240 10.962 -12.137 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.720 9.290 -12.219 1.00 0.00 H new ATOM 518 N GLU A 31 -2.750 9.998 -15.123 1.00 0.00 N ATOM 519 CA GLU A 31 -2.421 10.165 -16.529 1.00 0.00 C ATOM 520 C GLU A 31 -1.654 11.476 -16.715 1.00 0.00 C ATOM 521 O GLU A 31 -2.087 12.497 -16.162 1.00 0.00 O ATOM 522 CB GLU A 31 -3.674 10.134 -17.406 1.00 0.00 C ATOM 523 CG GLU A 31 -4.228 11.543 -17.623 1.00 0.00 C ATOM 524 CD GLU A 31 -5.564 11.498 -18.369 1.00 0.00 C ATOM 525 OE1 GLU A 31 -5.487 11.122 -19.601 1.00 0.00 O ATOM 526 OE2 GLU A 31 -6.610 11.814 -17.784 1.00 0.00 O ATOM 0 H GLU A 31 -3.701 9.670 -14.952 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.793 9.332 -16.844 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.437 9.681 -18.369 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.434 9.509 -16.938 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.361 12.038 -16.661 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.511 12.136 -18.190 1.00 0.00 H new ATOM 533 N ARG A 32 -0.547 11.422 -17.479 1.00 0.00 N ATOM 534 CA ARG A 32 0.269 12.596 -17.734 1.00 0.00 C ATOM 535 C ARG A 32 -0.639 13.783 -18.059 1.00 0.00 C ATOM 536 O ARG A 32 -0.158 14.881 -18.331 1.00 0.00 O ATOM 537 CB ARG A 32 1.235 12.369 -18.900 1.00 0.00 C ATOM 538 CG ARG A 32 1.635 10.895 -19.000 1.00 0.00 C ATOM 539 CD ARG A 32 0.819 10.178 -20.077 1.00 0.00 C ATOM 540 NE ARG A 32 -0.556 10.725 -20.119 1.00 0.00 N ATOM 541 CZ ARG A 32 -1.227 11.002 -21.257 1.00 0.00 C ATOM 542 NH1 ARG A 32 -0.629 10.775 -22.435 1.00 0.00 N ATOM 543 NH2 ARG A 32 -2.471 11.497 -21.211 1.00 0.00 N ATOM 0 H ARG A 32 -0.207 10.570 -17.926 1.00 0.00 H new ATOM 0 HA ARG A 32 0.857 12.798 -16.839 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.767 12.687 -19.832 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.125 12.983 -18.764 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.697 10.818 -19.232 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.482 10.407 -18.037 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.297 10.300 -21.049 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.787 9.108 -19.869 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.026 10.904 -19.232 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.319 10.399 -22.462 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.122 10.979 -23.305 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.919 11.668 -20.311 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.970 11.703 -22.076 1.00 0.00 H new ATOM 558 N MET B 1 15.976 -7.024 12.834 1.00 0.00 N ATOM 559 CA MET B 1 14.809 -6.711 13.642 1.00 0.00 C ATOM 560 C MET B 1 14.692 -5.192 13.792 1.00 0.00 C ATOM 561 O MET B 1 13.575 -4.671 13.658 1.00 0.00 O ATOM 562 CB MET B 1 14.929 -7.354 15.025 1.00 0.00 C ATOM 563 CG MET B 1 13.567 -7.837 15.525 1.00 0.00 C ATOM 564 SD MET B 1 13.468 -7.656 17.331 1.00 0.00 S ATOM 565 CE MET B 1 12.695 -9.243 17.764 1.00 0.00 C ATOM 0 H1 MET B 1 15.976 -8.038 12.602 1.00 0.00 H new ATOM 0 H2 MET B 1 15.950 -6.467 11.956 1.00 0.00 H new ATOM 0 H3 MET B 1 16.839 -6.791 13.366 1.00 0.00 H new ATOM 0 HA MET B 1 13.920 -7.105 13.149 1.00 0.00 H new ATOM 0 HB2 MET B 1 15.623 -8.194 14.981 1.00 0.00 H new ATOM 0 HB3 MET B 1 15.345 -6.634 15.730 1.00 0.00 H new ATOM 0 HG2 MET B 1 12.771 -7.263 15.050 1.00 0.00 H new ATOM 0 HG3 MET B 1 13.417 -8.880 15.247 1.00 0.00 H new ATOM 0 HE1 MET B 1 12.922 -9.487 18.802 1.00 0.00 H new ATOM 0 HE2 MET B 1 11.615 -9.168 17.636 1.00 0.00 H new ATOM 0 HE3 MET B 1 13.084 -10.027 17.114 1.00 0.00 H new ATOM 575 N ASP B 2 15.828 -4.525 14.064 1.00 0.00 N ATOM 576 CA ASP B 2 15.852 -3.081 14.230 1.00 0.00 C ATOM 577 C ASP B 2 15.201 -2.421 13.012 1.00 0.00 C ATOM 578 O ASP B 2 14.431 -1.467 13.200 1.00 0.00 O ATOM 579 CB ASP B 2 17.287 -2.563 14.337 1.00 0.00 C ATOM 580 CG ASP B 2 18.269 -3.517 15.022 1.00 0.00 C ATOM 581 OD1 ASP B 2 18.714 -4.469 14.274 1.00 0.00 O ATOM 582 OD2 ASP B 2 18.594 -3.356 16.208 1.00 0.00 O ATOM 0 H ASP B 2 16.737 -4.974 14.172 1.00 0.00 H new ATOM 0 HA ASP B 2 15.311 -2.838 15.145 1.00 0.00 H new ATOM 0 HB2 ASP B 2 17.655 -2.345 13.334 1.00 0.00 H new ATOM 0 HB3 ASP B 2 17.277 -1.621 14.884 1.00 0.00 H new ATOM 587 N ALA B 3 15.516 -2.933 11.810 1.00 0.00 N ATOM 588 CA ALA B 3 14.966 -2.396 10.576 1.00 0.00 C ATOM 589 C ALA B 3 13.572 -2.986 10.346 1.00 0.00 C ATOM 590 O ALA B 3 12.816 -2.415 9.547 1.00 0.00 O ATOM 591 CB ALA B 3 15.823 -2.846 9.391 1.00 0.00 C ATOM 0 H ALA B 3 16.151 -3.720 11.678 1.00 0.00 H new ATOM 0 HA ALA B 3 14.937 -1.309 10.655 1.00 0.00 H new ATOM 0 HB1 ALA B 3 15.408 -2.442 8.468 1.00 0.00 H new ATOM 0 HB2 ALA B 3 16.842 -2.482 9.520 1.00 0.00 H new ATOM 0 HB3 ALA B 3 15.830 -3.935 9.340 1.00 0.00 H new ATOM 597 N ILE B 4 13.268 -4.098 11.038 1.00 0.00 N ATOM 598 CA ILE B 4 11.978 -4.755 10.911 1.00 0.00 C ATOM 599 C ILE B 4 10.911 -3.919 11.623 1.00 0.00 C ATOM 600 O ILE B 4 9.846 -3.694 11.030 1.00 0.00 O ATOM 601 CB ILE B 4 12.061 -6.199 11.407 1.00 0.00 C ATOM 602 CG1 ILE B 4 13.079 -7.001 10.594 1.00 0.00 C ATOM 603 CG2 ILE B 4 10.680 -6.860 11.407 1.00 0.00 C ATOM 604 CD1 ILE B 4 12.529 -8.382 10.235 1.00 0.00 C ATOM 0 H ILE B 4 13.907 -4.553 11.690 1.00 0.00 H new ATOM 0 HA ILE B 4 11.685 -4.819 9.863 1.00 0.00 H new ATOM 0 HB ILE B 4 12.412 -6.185 12.439 1.00 0.00 H new ATOM 0 HG12 ILE B 4 13.331 -6.458 9.683 1.00 0.00 H new ATOM 0 HG13 ILE B 4 14.001 -7.110 11.165 1.00 0.00 H new ATOM 0 HG21 ILE B 4 10.768 -7.886 11.764 1.00 0.00 H new ATOM 0 HG22 ILE B 4 10.010 -6.304 12.063 1.00 0.00 H new ATOM 0 HG23 ILE B 4 10.277 -6.862 10.394 1.00 0.00 H new ATOM 0 HD11 ILE B 4 13.273 -8.931 9.657 1.00 0.00 H new ATOM 0 HD12 ILE B 4 12.301 -8.932 11.148 1.00 0.00 H new ATOM 0 HD13 ILE B 4 11.621 -8.269 9.643 1.00 0.00 H new ATOM 616 N LYS B 5 11.213 -3.485 12.859 1.00 0.00 N ATOM 617 CA LYS B 5 10.287 -2.684 13.641 1.00 0.00 C ATOM 618 C LYS B 5 9.847 -1.472 12.817 1.00 0.00 C ATOM 619 O LYS B 5 8.690 -1.050 12.961 1.00 0.00 O ATOM 620 CB LYS B 5 10.905 -2.318 14.992 1.00 0.00 C ATOM 621 CG LYS B 5 11.229 -3.573 15.804 1.00 0.00 C ATOM 622 CD LYS B 5 12.740 -3.728 15.992 1.00 0.00 C ATOM 623 CE LYS B 5 13.165 -3.298 17.398 1.00 0.00 C ATOM 624 NZ LYS B 5 12.859 -4.355 18.375 1.00 0.00 N ATOM 0 H LYS B 5 12.097 -3.682 13.329 1.00 0.00 H new ATOM 0 HA LYS B 5 9.388 -3.256 13.872 1.00 0.00 H new ATOM 0 HB2 LYS B 5 11.814 -1.737 14.835 1.00 0.00 H new ATOM 0 HB3 LYS B 5 10.216 -1.686 15.552 1.00 0.00 H new ATOM 0 HG2 LYS B 5 10.741 -3.517 16.777 1.00 0.00 H new ATOM 0 HG3 LYS B 5 10.830 -4.452 15.298 1.00 0.00 H new ATOM 0 HD2 LYS B 5 13.026 -4.766 15.823 1.00 0.00 H new ATOM 0 HD3 LYS B 5 13.266 -3.128 15.250 1.00 0.00 H new ATOM 0 HE2 LYS B 5 14.233 -3.081 17.411 1.00 0.00 H new ATOM 0 HE3 LYS B 5 12.649 -2.378 17.675 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 13.435 -4.215 19.230 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 11.851 -4.314 18.626 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 13.075 -5.284 17.961 1.00 0.00 H new ATOM 638 N LYS B 6 10.762 -0.944 11.985 1.00 0.00 N ATOM 639 CA LYS B 6 10.470 0.208 11.149 1.00 0.00 C ATOM 640 C LYS B 6 9.919 -0.270 9.804 1.00 0.00 C ATOM 641 O LYS B 6 9.156 0.481 9.179 1.00 0.00 O ATOM 642 CB LYS B 6 11.703 1.105 11.024 1.00 0.00 C ATOM 643 CG LYS B 6 12.613 0.960 12.245 1.00 0.00 C ATOM 644 CD LYS B 6 13.400 2.249 12.500 1.00 0.00 C ATOM 645 CE LYS B 6 13.936 2.831 11.190 1.00 0.00 C ATOM 646 NZ LYS B 6 15.383 3.079 11.291 1.00 0.00 N ATOM 0 H LYS B 6 11.710 -1.306 11.882 1.00 0.00 H new ATOM 0 HA LYS B 6 9.699 0.827 11.608 1.00 0.00 H new ATOM 0 HB2 LYS B 6 12.256 0.845 10.121 1.00 0.00 H new ATOM 0 HB3 LYS B 6 11.392 2.144 10.919 1.00 0.00 H new ATOM 0 HG2 LYS B 6 12.014 0.716 13.122 1.00 0.00 H new ATOM 0 HG3 LYS B 6 13.305 0.132 12.091 1.00 0.00 H new ATOM 0 HD2 LYS B 6 12.758 2.980 12.992 1.00 0.00 H new ATOM 0 HD3 LYS B 6 14.229 2.045 13.178 1.00 0.00 H new ATOM 0 HE2 LYS B 6 13.735 2.142 10.370 1.00 0.00 H new ATOM 0 HE3 LYS B 6 13.417 3.761 10.959 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 15.731 3.474 10.394 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 15.567 3.754 12.061 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 15.875 2.185 11.490 1.00 0.00 H new ATOM 660 N LYS B 7 10.308 -1.489 9.393 1.00 0.00 N ATOM 661 CA LYS B 7 9.856 -2.059 8.135 1.00 0.00 C ATOM 662 C LYS B 7 8.327 -2.074 8.107 1.00 0.00 C ATOM 663 O LYS B 7 7.750 -1.596 7.120 1.00 0.00 O ATOM 664 CB LYS B 7 10.489 -3.434 7.911 1.00 0.00 C ATOM 665 CG LYS B 7 10.085 -4.008 6.551 1.00 0.00 C ATOM 666 CD LYS B 7 10.343 -2.998 5.431 1.00 0.00 C ATOM 667 CE LYS B 7 10.872 -3.695 4.176 1.00 0.00 C ATOM 668 NZ LYS B 7 9.757 -4.134 3.321 1.00 0.00 N ATOM 0 H LYS B 7 10.937 -2.092 9.924 1.00 0.00 H new ATOM 0 HA LYS B 7 10.184 -1.443 7.298 1.00 0.00 H new ATOM 0 HB2 LYS B 7 11.574 -3.352 7.967 1.00 0.00 H new ATOM 0 HB3 LYS B 7 10.179 -4.115 8.704 1.00 0.00 H new ATOM 0 HG2 LYS B 7 10.646 -4.922 6.357 1.00 0.00 H new ATOM 0 HG3 LYS B 7 9.029 -4.278 6.566 1.00 0.00 H new ATOM 0 HD2 LYS B 7 9.421 -2.467 5.195 1.00 0.00 H new ATOM 0 HD3 LYS B 7 11.063 -2.252 5.768 1.00 0.00 H new ATOM 0 HE2 LYS B 7 11.518 -3.015 3.620 1.00 0.00 H new ATOM 0 HE3 LYS B 7 11.481 -4.554 4.459 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 10.084 -4.889 2.685 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 8.984 -4.493 3.916 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 9.415 -3.330 2.757 1.00 0.00 H new ATOM 682 N MET B 8 7.710 -2.613 9.175 1.00 0.00 N ATOM 683 CA MET B 8 6.262 -2.688 9.271 1.00 0.00 C ATOM 684 C MET B 8 5.689 -1.274 9.381 1.00 0.00 C ATOM 685 O MET B 8 4.514 -1.086 9.034 1.00 0.00 O ATOM 686 CB MET B 8 5.852 -3.503 10.500 1.00 0.00 C ATOM 687 CG MET B 8 6.537 -2.975 11.761 1.00 0.00 C ATOM 688 SD MET B 8 5.325 -2.815 13.106 1.00 0.00 S ATOM 689 CE MET B 8 6.437 -2.869 14.541 1.00 0.00 C ATOM 0 H MET B 8 8.204 -3.001 9.979 1.00 0.00 H new ATOM 0 HA MET B 8 5.871 -3.177 8.379 1.00 0.00 H new ATOM 0 HB2 MET B 8 4.770 -3.460 10.625 1.00 0.00 H new ATOM 0 HB3 MET B 8 6.115 -4.550 10.351 1.00 0.00 H new ATOM 0 HG2 MET B 8 7.338 -3.651 12.060 1.00 0.00 H new ATOM 0 HG3 MET B 8 6.996 -2.008 11.557 1.00 0.00 H new ATOM 0 HE1 MET B 8 5.856 -3.051 15.445 1.00 0.00 H new ATOM 0 HE2 MET B 8 7.163 -3.671 14.409 1.00 0.00 H new ATOM 0 HE3 MET B 8 6.961 -1.917 14.631 1.00 0.00 H new ATOM 699 N GLN B 9 6.515 -0.325 9.854 1.00 0.00 N ATOM 700 CA GLN B 9 6.092 1.057 10.007 1.00 0.00 C ATOM 701 C GLN B 9 6.132 1.752 8.645 1.00 0.00 C ATOM 702 O GLN B 9 5.430 2.760 8.477 1.00 0.00 O ATOM 703 CB GLN B 9 6.959 1.800 11.027 1.00 0.00 C ATOM 704 CG GLN B 9 6.620 1.364 12.455 1.00 0.00 C ATOM 705 CD GLN B 9 7.078 2.413 13.471 1.00 0.00 C ATOM 706 OE1 GLN B 9 6.359 3.335 13.816 1.00 0.00 O ATOM 707 NE2 GLN B 9 8.313 2.220 13.927 1.00 0.00 N ATOM 0 H GLN B 9 7.480 -0.501 10.135 1.00 0.00 H new ATOM 0 HA GLN B 9 5.071 1.070 10.388 1.00 0.00 H new ATOM 0 HB2 GLN B 9 8.012 1.606 10.824 1.00 0.00 H new ATOM 0 HB3 GLN B 9 6.807 2.875 10.925 1.00 0.00 H new ATOM 0 HG2 GLN B 9 5.545 1.209 12.546 1.00 0.00 H new ATOM 0 HG3 GLN B 9 7.099 0.409 12.671 1.00 0.00 H new ATOM 0 HE21 GLN B 9 8.861 1.426 13.595 1.00 0.00 H new ATOM 0 HE22 GLN B 9 8.712 2.866 14.608 1.00 0.00 H new ATOM 716 N MET B 10 6.939 1.210 7.716 1.00 0.00 N ATOM 717 CA MET B 10 7.066 1.774 6.383 1.00 0.00 C ATOM 718 C MET B 10 5.961 1.210 5.487 1.00 0.00 C ATOM 719 O MET B 10 5.431 1.966 4.659 1.00 0.00 O ATOM 720 CB MET B 10 8.432 1.428 5.787 1.00 0.00 C ATOM 721 CG MET B 10 9.551 1.672 6.801 1.00 0.00 C ATOM 722 SD MET B 10 10.825 2.747 6.077 1.00 0.00 S ATOM 723 CE MET B 10 11.180 3.817 7.502 1.00 0.00 C ATOM 0 H MET B 10 7.510 0.380 7.876 1.00 0.00 H new ATOM 0 HA MET B 10 6.974 2.858 6.447 1.00 0.00 H new ATOM 0 HB2 MET B 10 8.442 0.384 5.473 1.00 0.00 H new ATOM 0 HB3 MET B 10 8.607 2.030 4.895 1.00 0.00 H new ATOM 0 HG2 MET B 10 9.143 2.133 7.701 1.00 0.00 H new ATOM 0 HG3 MET B 10 9.993 0.722 7.102 1.00 0.00 H new ATOM 0 HE1 MET B 10 11.947 4.542 7.230 1.00 0.00 H new ATOM 0 HE2 MET B 10 10.272 4.343 7.797 1.00 0.00 H new ATOM 0 HE3 MET B 10 11.534 3.209 8.334 1.00 0.00 H new ATOM 733 N LEU B 11 5.640 -0.083 5.669 1.00 0.00 N ATOM 734 CA LEU B 11 4.608 -0.737 4.883 1.00 0.00 C ATOM 735 C LEU B 11 3.233 -0.318 5.405 1.00 0.00 C ATOM 736 O LEU B 11 2.279 -0.305 4.612 1.00 0.00 O ATOM 737 CB LEU B 11 4.824 -2.252 4.869 1.00 0.00 C ATOM 738 CG LEU B 11 6.163 -2.733 4.303 1.00 0.00 C ATOM 739 CD1 LEU B 11 6.468 -4.161 4.760 1.00 0.00 C ATOM 740 CD2 LEU B 11 6.195 -2.599 2.780 1.00 0.00 C ATOM 0 H LEU B 11 6.088 -0.687 6.358 1.00 0.00 H new ATOM 0 HA LEU B 11 4.665 -0.420 3.842 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.729 -2.622 5.890 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.022 -2.708 4.289 1.00 0.00 H new ATOM 0 HG LEU B 11 6.951 -2.092 4.698 1.00 0.00 H new ATOM 0 HD11 LEU B 11 7.424 -4.480 4.345 1.00 0.00 H new ATOM 0 HD12 LEU B 11 6.517 -4.192 5.848 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.681 -4.830 4.413 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.157 -2.948 2.404 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.396 -3.200 2.345 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.055 -1.554 2.504 1.00 0.00 H new ATOM 752 N LYS B 12 3.157 0.013 6.706 1.00 0.00 N ATOM 753 CA LYS B 12 1.910 0.428 7.325 1.00 0.00 C ATOM 754 C LYS B 12 1.617 1.881 6.946 1.00 0.00 C ATOM 755 O LYS B 12 0.434 2.229 6.813 1.00 0.00 O ATOM 756 CB LYS B 12 1.952 0.183 8.834 1.00 0.00 C ATOM 757 CG LYS B 12 2.918 1.153 9.520 1.00 0.00 C ATOM 758 CD LYS B 12 2.291 2.540 9.664 1.00 0.00 C ATOM 759 CE LYS B 12 2.287 2.991 11.126 1.00 0.00 C ATOM 760 NZ LYS B 12 2.620 4.422 11.226 1.00 0.00 N ATOM 0 H LYS B 12 3.954 -0.003 7.342 1.00 0.00 H new ATOM 0 HA LYS B 12 1.081 -0.173 6.952 1.00 0.00 H new ATOM 0 HB2 LYS B 12 0.953 0.302 9.253 1.00 0.00 H new ATOM 0 HB3 LYS B 12 2.261 -0.844 9.031 1.00 0.00 H new ATOM 0 HG2 LYS B 12 3.188 0.768 10.503 1.00 0.00 H new ATOM 0 HG3 LYS B 12 3.839 1.225 8.942 1.00 0.00 H new ATOM 0 HD2 LYS B 12 2.845 3.258 9.060 1.00 0.00 H new ATOM 0 HD3 LYS B 12 1.270 2.523 9.282 1.00 0.00 H new ATOM 0 HE2 LYS B 12 1.307 2.808 11.566 1.00 0.00 H new ATOM 0 HE3 LYS B 12 3.007 2.404 11.696 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.613 4.711 12.225 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 3.565 4.587 10.825 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 1.918 4.980 10.699 1.00 0.00 H new ATOM 774 N LEU B 13 2.680 2.687 6.783 1.00 0.00 N ATOM 775 CA LEU B 13 2.538 4.088 6.422 1.00 0.00 C ATOM 776 C LEU B 13 2.156 4.193 4.944 1.00 0.00 C ATOM 777 O LEU B 13 1.267 4.995 4.620 1.00 0.00 O ATOM 778 CB LEU B 13 3.804 4.867 6.787 1.00 0.00 C ATOM 779 CG LEU B 13 3.644 6.383 6.913 1.00 0.00 C ATOM 780 CD1 LEU B 13 4.965 7.098 6.622 1.00 0.00 C ATOM 781 CD2 LEU B 13 2.509 6.892 6.023 1.00 0.00 C ATOM 0 H LEU B 13 3.646 2.381 6.898 1.00 0.00 H new ATOM 0 HA LEU B 13 1.732 4.549 6.994 1.00 0.00 H new ATOM 0 HB2 LEU B 13 4.184 4.482 7.733 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.563 4.663 6.032 1.00 0.00 H new ATOM 0 HG LEU B 13 3.372 6.613 7.943 1.00 0.00 H new ATOM 0 HD11 LEU B 13 4.825 8.175 6.718 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.723 6.766 7.332 1.00 0.00 H new ATOM 0 HD13 LEU B 13 5.290 6.864 5.608 1.00 0.00 H new ATOM 0 HD21 LEU B 13 2.418 7.973 6.132 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.726 6.650 4.983 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.574 6.417 6.319 1.00 0.00 H new ATOM 793 N ASP B 14 2.823 3.396 4.091 1.00 0.00 N ATOM 794 CA ASP B 14 2.555 3.400 2.663 1.00 0.00 C ATOM 795 C ASP B 14 1.136 2.887 2.414 1.00 0.00 C ATOM 796 O ASP B 14 0.506 3.341 1.447 1.00 0.00 O ATOM 797 CB ASP B 14 3.528 2.485 1.918 1.00 0.00 C ATOM 798 CG ASP B 14 4.055 3.043 0.593 1.00 0.00 C ATOM 799 OD1 ASP B 14 4.741 4.076 0.564 1.00 0.00 O ATOM 800 OD2 ASP B 14 3.732 2.362 -0.453 1.00 0.00 O ATOM 0 H ASP B 14 3.552 2.743 4.378 1.00 0.00 H new ATOM 0 HA ASP B 14 2.672 4.421 2.300 1.00 0.00 H new ATOM 0 HB2 ASP B 14 4.376 2.274 2.569 1.00 0.00 H new ATOM 0 HB3 ASP B 14 3.032 1.534 1.723 1.00 0.00 H new ATOM 805 N ASN B 15 0.670 1.965 3.275 1.00 0.00 N ATOM 806 CA ASN B 15 -0.661 1.396 3.147 1.00 0.00 C ATOM 807 C ASN B 15 -1.704 2.490 3.394 1.00 0.00 C ATOM 808 O ASN B 15 -2.623 2.623 2.572 1.00 0.00 O ATOM 809 CB ASN B 15 -0.887 0.287 4.177 1.00 0.00 C ATOM 810 CG ASN B 15 -2.026 -0.639 3.745 1.00 0.00 C ATOM 811 OD1 ASN B 15 -3.189 -0.410 4.031 1.00 0.00 O ATOM 812 ND2 ASN B 15 -1.627 -1.695 3.043 1.00 0.00 N ATOM 0 H ASN B 15 1.205 1.605 4.065 1.00 0.00 H new ATOM 0 HA ASN B 15 -0.756 0.981 2.143 1.00 0.00 H new ATOM 0 HB2 ASN B 15 0.029 -0.291 4.301 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -1.120 0.728 5.146 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -2.311 -2.373 2.709 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -0.636 -1.827 2.838 1.00 0.00 H new ATOM 819 N TYR B 16 -1.543 3.237 4.500 1.00 0.00 N ATOM 820 CA TYR B 16 -2.501 4.289 4.793 1.00 0.00 C ATOM 821 C TYR B 16 -2.522 5.290 3.636 1.00 0.00 C ATOM 822 O TYR B 16 -3.602 5.828 3.352 1.00 0.00 O ATOM 823 CB TYR B 16 -2.151 4.966 6.131 1.00 0.00 C ATOM 824 CG TYR B 16 -1.859 3.999 7.270 1.00 0.00 C ATOM 825 CD1 TYR B 16 -2.308 2.661 7.195 1.00 0.00 C ATOM 826 CD2 TYR B 16 -1.133 4.429 8.405 1.00 0.00 C ATOM 827 CE1 TYR B 16 -2.037 1.760 8.246 1.00 0.00 C ATOM 828 CE2 TYR B 16 -0.861 3.528 9.458 1.00 0.00 C ATOM 829 CZ TYR B 16 -1.314 2.193 9.379 1.00 0.00 C ATOM 830 OH TYR B 16 -1.055 1.318 10.396 1.00 0.00 O ATOM 0 H TYR B 16 -0.786 3.131 5.175 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.500 3.866 4.895 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.282 5.607 5.983 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.978 5.613 6.424 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -2.861 2.327 6.329 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.785 5.450 8.467 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -2.383 0.739 8.184 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.307 3.860 10.323 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.547 1.775 11.099 1.00 0.00 H new ATOM 840 N HIS B 17 -1.354 5.524 3.010 1.00 0.00 N ATOM 841 CA HIS B 17 -1.248 6.462 1.905 1.00 0.00 C ATOM 842 C HIS B 17 -1.850 5.832 0.648 1.00 0.00 C ATOM 843 O HIS B 17 -2.480 6.560 -0.132 1.00 0.00 O ATOM 844 CB HIS B 17 0.201 6.912 1.707 1.00 0.00 C ATOM 845 CG HIS B 17 0.673 6.849 0.274 1.00 0.00 C ATOM 846 ND1 HIS B 17 0.575 7.922 -0.595 1.00 0.00 N ATOM 847 CD2 HIS B 17 1.246 5.832 -0.432 1.00 0.00 C ATOM 848 CE1 HIS B 17 1.070 7.556 -1.768 1.00 0.00 C ATOM 849 NE2 HIS B 17 1.484 6.261 -1.666 1.00 0.00 N ATOM 0 H HIS B 17 -0.476 5.070 3.260 1.00 0.00 H new ATOM 0 HA HIS B 17 -1.816 7.364 2.131 1.00 0.00 H new ATOM 0 HB2 HIS B 17 0.306 7.935 2.069 1.00 0.00 H new ATOM 0 HB3 HIS B 17 0.851 6.289 2.321 1.00 0.00 H new ATOM 0 HD2 HIS B 17 1.468 4.846 -0.052 1.00 0.00 H new ATOM 0 HE1 HIS B 17 1.134 8.175 -2.651 1.00 0.00 H new ATOM 0 HE2 HIS B 17 1.907 5.712 -2.414 1.00 0.00 H new ATOM 857 N LEU B 18 -1.649 4.513 0.480 1.00 0.00 N ATOM 858 CA LEU B 18 -2.169 3.795 -0.672 1.00 0.00 C ATOM 859 C LEU B 18 -3.692 3.693 -0.559 1.00 0.00 C ATOM 860 O LEU B 18 -4.370 3.815 -1.590 1.00 0.00 O ATOM 861 CB LEU B 18 -1.472 2.441 -0.819 1.00 0.00 C ATOM 862 CG LEU B 18 -0.054 2.477 -1.390 1.00 0.00 C ATOM 863 CD1 LEU B 18 0.625 1.112 -1.256 1.00 0.00 C ATOM 864 CD2 LEU B 18 -0.056 2.975 -2.837 1.00 0.00 C ATOM 0 H LEU B 18 -1.127 3.931 1.135 1.00 0.00 H new ATOM 0 HA LEU B 18 -1.952 4.341 -1.590 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -1.436 1.965 0.161 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -2.085 1.807 -1.460 1.00 0.00 H new ATOM 0 HG LEU B 18 0.530 3.188 -0.806 1.00 0.00 H new ATOM 0 HD11 LEU B 18 1.632 1.164 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU B 18 0.679 0.834 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU B 18 0.048 0.364 -1.800 1.00 0.00 H new ATOM 0 HD21 LEU B 18 0.965 2.991 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -0.662 2.308 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -0.473 3.982 -2.875 1.00 0.00 H new ATOM 876 N GLU B 19 -4.192 3.477 0.672 1.00 0.00 N ATOM 877 CA GLU B 19 -5.620 3.361 0.912 1.00 0.00 C ATOM 878 C GLU B 19 -6.286 4.717 0.669 1.00 0.00 C ATOM 879 O GLU B 19 -7.288 4.759 -0.060 1.00 0.00 O ATOM 880 CB GLU B 19 -5.911 2.854 2.327 1.00 0.00 C ATOM 881 CG GLU B 19 -7.075 1.861 2.324 1.00 0.00 C ATOM 882 CD GLU B 19 -6.620 0.484 1.837 1.00 0.00 C ATOM 883 OE1 GLU B 19 -5.454 0.110 2.035 1.00 0.00 O ATOM 884 OE2 GLU B 19 -7.527 -0.207 1.233 1.00 0.00 O ATOM 0 H GLU B 19 -3.617 3.381 1.509 1.00 0.00 H new ATOM 0 HA GLU B 19 -6.033 2.628 0.219 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -5.021 2.376 2.736 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -6.148 3.696 2.977 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -7.488 1.777 3.329 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -7.873 2.233 1.681 1.00 0.00 H new ATOM 891 N ASN B 20 -5.726 5.781 1.272 1.00 0.00 N ATOM 892 CA ASN B 20 -6.262 7.122 1.120 1.00 0.00 C ATOM 893 C ASN B 20 -6.144 7.552 -0.344 1.00 0.00 C ATOM 894 O ASN B 20 -6.988 8.338 -0.798 1.00 0.00 O ATOM 895 CB ASN B 20 -5.482 8.127 1.971 1.00 0.00 C ATOM 896 CG ASN B 20 -6.107 8.270 3.361 1.00 0.00 C ATOM 897 OD1 ASN B 20 -7.306 8.136 3.548 1.00 0.00 O ATOM 898 ND2 ASN B 20 -5.231 8.548 4.323 1.00 0.00 N ATOM 0 H ASN B 20 -4.900 5.725 1.868 1.00 0.00 H new ATOM 0 HA ASN B 20 -7.303 7.107 1.442 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -4.446 7.802 2.066 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -5.468 9.097 1.473 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -5.549 8.662 5.285 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -4.241 8.647 4.098 1.00 0.00 H new ATOM 905 N GLU B 21 -5.116 7.036 -1.041 1.00 0.00 N ATOM 906 CA GLU B 21 -4.893 7.364 -2.439 1.00 0.00 C ATOM 907 C GLU B 21 -5.820 6.515 -3.312 1.00 0.00 C ATOM 908 O GLU B 21 -6.241 7.003 -4.372 1.00 0.00 O ATOM 909 CB GLU B 21 -3.429 7.162 -2.836 1.00 0.00 C ATOM 910 CG GLU B 21 -3.150 7.753 -4.221 1.00 0.00 C ATOM 911 CD GLU B 21 -1.820 7.242 -4.777 1.00 0.00 C ATOM 912 OE1 GLU B 21 -1.103 6.502 -4.088 1.00 0.00 O ATOM 913 OE2 GLU B 21 -1.542 7.637 -5.973 1.00 0.00 O ATOM 0 H GLU B 21 -4.432 6.390 -0.648 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.121 8.419 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.780 7.633 -2.098 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.192 6.098 -2.836 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.959 7.489 -4.903 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -3.128 8.841 -4.158 1.00 0.00 H new ATOM 920 N VAL B 22 -6.114 5.284 -2.859 1.00 0.00 N ATOM 921 CA VAL B 22 -6.983 4.380 -3.593 1.00 0.00 C ATOM 922 C VAL B 22 -8.439 4.803 -3.391 1.00 0.00 C ATOM 923 O VAL B 22 -9.214 4.726 -4.356 1.00 0.00 O ATOM 924 CB VAL B 22 -6.715 2.935 -3.166 1.00 0.00 C ATOM 925 CG1 VAL B 22 -7.985 2.088 -3.273 1.00 0.00 C ATOM 926 CG2 VAL B 22 -5.576 2.323 -3.984 1.00 0.00 C ATOM 0 H VAL B 22 -5.756 4.902 -1.984 1.00 0.00 H new ATOM 0 HA VAL B 22 -6.775 4.433 -4.662 1.00 0.00 H new ATOM 0 HB VAL B 22 -6.407 2.946 -2.121 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -7.768 1.066 -2.964 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -8.757 2.506 -2.627 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -8.337 2.088 -4.305 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.406 1.296 -3.660 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -5.842 2.331 -5.041 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.667 2.905 -3.834 1.00 0.00 H new ATOM 936 N ALA B 23 -8.777 5.234 -2.164 1.00 0.00 N ATOM 937 CA ALA B 23 -10.127 5.665 -1.843 1.00 0.00 C ATOM 938 C ALA B 23 -10.418 6.989 -2.551 1.00 0.00 C ATOM 939 O ALA B 23 -11.600 7.305 -2.749 1.00 0.00 O ATOM 940 CB ALA B 23 -10.234 5.947 -0.343 1.00 0.00 C ATOM 0 H ALA B 23 -8.123 5.289 -1.383 1.00 0.00 H new ATOM 0 HA ALA B 23 -10.821 4.883 -2.151 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -11.247 6.270 -0.105 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -10.002 5.040 0.215 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -9.529 6.732 -0.069 1.00 0.00 H new ATOM 946 N ARG B 24 -9.351 7.726 -2.912 1.00 0.00 N ATOM 947 CA ARG B 24 -9.492 9.002 -3.591 1.00 0.00 C ATOM 948 C ARG B 24 -9.480 8.775 -5.103 1.00 0.00 C ATOM 949 O ARG B 24 -10.066 9.593 -5.827 1.00 0.00 O ATOM 950 CB ARG B 24 -8.363 9.966 -3.218 1.00 0.00 C ATOM 951 CG ARG B 24 -8.714 10.762 -1.960 1.00 0.00 C ATOM 952 CD ARG B 24 -7.505 11.552 -1.455 1.00 0.00 C ATOM 953 NE ARG B 24 -7.923 12.492 -0.391 1.00 0.00 N ATOM 954 CZ ARG B 24 -8.373 13.744 -0.621 1.00 0.00 C ATOM 955 NH1 ARG B 24 -8.455 14.182 -1.885 1.00 0.00 N ATOM 956 NH2 ARG B 24 -8.732 14.535 0.399 1.00 0.00 N ATOM 0 H ARG B 24 -8.385 7.448 -2.739 1.00 0.00 H new ATOM 0 HA ARG B 24 -10.437 9.448 -3.280 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.442 9.407 -3.053 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -8.176 10.651 -4.045 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -9.535 11.446 -2.175 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -9.060 10.083 -1.181 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -6.748 10.868 -1.071 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -7.049 12.102 -2.279 1.00 0.00 H new ATOM 0 HE ARG B 24 -7.868 12.174 0.577 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -8.180 13.572 -2.655 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -8.793 15.125 -2.077 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -8.666 14.193 1.358 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -9.071 15.480 0.217 1.00 0.00 H new ATOM 970 N LEU B 25 -8.824 7.686 -5.543 1.00 0.00 N ATOM 971 CA LEU B 25 -8.739 7.357 -6.956 1.00 0.00 C ATOM 972 C LEU B 25 -9.979 6.560 -7.365 1.00 0.00 C ATOM 973 O LEU B 25 -10.513 6.817 -8.453 1.00 0.00 O ATOM 974 CB LEU B 25 -7.419 6.644 -7.262 1.00 0.00 C ATOM 975 CG LEU B 25 -6.177 7.534 -7.337 1.00 0.00 C ATOM 976 CD1 LEU B 25 -4.906 6.691 -7.457 1.00 0.00 C ATOM 977 CD2 LEU B 25 -6.300 8.552 -8.472 1.00 0.00 C ATOM 0 H LEU B 25 -8.348 7.025 -4.930 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.731 8.265 -7.559 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.253 5.886 -6.497 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.524 6.120 -8.212 1.00 0.00 H new ATOM 0 HG LEU B 25 -6.103 8.097 -6.407 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -4.037 7.348 -7.509 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -4.818 6.040 -6.587 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -4.956 6.084 -8.361 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -5.404 9.172 -8.503 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -6.412 8.027 -9.421 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.172 9.183 -8.302 1.00 0.00 H new ATOM 989 N LYS B 26 -10.403 5.621 -6.500 1.00 0.00 N ATOM 990 CA LYS B 26 -11.568 4.796 -6.770 1.00 0.00 C ATOM 991 C LYS B 26 -12.807 5.688 -6.874 1.00 0.00 C ATOM 992 O LYS B 26 -13.771 5.283 -7.541 1.00 0.00 O ATOM 993 CB LYS B 26 -11.694 3.688 -5.723 1.00 0.00 C ATOM 994 CG LYS B 26 -10.695 2.562 -5.992 1.00 0.00 C ATOM 995 CD LYS B 26 -11.127 1.720 -7.193 1.00 0.00 C ATOM 996 CE LYS B 26 -12.610 1.357 -7.103 1.00 0.00 C ATOM 997 NZ LYS B 26 -12.942 0.298 -8.070 1.00 0.00 N ATOM 0 H LYS B 26 -9.947 5.423 -5.609 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.460 4.287 -7.728 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.522 4.101 -4.729 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.708 3.289 -5.732 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -9.707 2.984 -6.176 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.611 1.927 -5.110 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -10.939 2.271 -8.114 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -10.528 0.810 -7.238 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -12.848 1.023 -6.093 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -13.219 2.240 -7.298 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -13.953 0.064 -7.995 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -12.734 0.630 -9.033 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -12.374 -0.549 -7.866 1.00 0.00 H new ATOM 1011 N LYS B 27 -12.758 6.864 -6.225 1.00 0.00 N ATOM 1012 CA LYS B 27 -13.869 7.802 -6.245 1.00 0.00 C ATOM 1013 C LYS B 27 -13.796 8.644 -7.519 1.00 0.00 C ATOM 1014 O LYS B 27 -14.780 9.333 -7.827 1.00 0.00 O ATOM 1015 CB LYS B 27 -13.891 8.632 -4.960 1.00 0.00 C ATOM 1016 CG LYS B 27 -15.319 8.777 -4.426 1.00 0.00 C ATOM 1017 CD LYS B 27 -15.451 8.149 -3.038 1.00 0.00 C ATOM 1018 CE LYS B 27 -14.869 9.068 -1.961 1.00 0.00 C ATOM 1019 NZ LYS B 27 -13.706 9.802 -2.486 1.00 0.00 N ATOM 0 H LYS B 27 -11.954 7.179 -5.682 1.00 0.00 H new ATOM 0 HA LYS B 27 -14.819 7.268 -6.269 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.263 8.158 -4.206 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -13.469 9.618 -5.152 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -15.588 9.832 -4.379 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -16.018 8.300 -5.113 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -16.501 7.951 -2.823 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -14.935 7.189 -3.019 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -15.630 9.772 -1.625 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -14.574 8.479 -1.092 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -13.291 10.383 -1.729 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -12.996 9.126 -2.832 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -14.008 10.417 -3.268 1.00 0.00 H new ATOM 1033 N LEU B 28 -12.653 8.574 -8.224 1.00 0.00 N ATOM 1034 CA LEU B 28 -12.458 9.325 -9.453 1.00 0.00 C ATOM 1035 C LEU B 28 -12.677 8.399 -10.651 1.00 0.00 C ATOM 1036 O LEU B 28 -13.205 8.869 -11.671 1.00 0.00 O ATOM 1037 CB LEU B 28 -11.092 10.013 -9.449 1.00 0.00 C ATOM 1038 CG LEU B 28 -11.091 11.504 -9.794 1.00 0.00 C ATOM 1039 CD1 LEU B 28 -11.416 12.352 -8.562 1.00 0.00 C ATOM 1040 CD2 LEU B 28 -9.767 11.917 -10.440 1.00 0.00 C ATOM 0 H LEU B 28 -11.855 8.000 -7.953 1.00 0.00 H new ATOM 0 HA LEU B 28 -13.192 10.127 -9.531 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.647 9.889 -8.462 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -10.445 9.496 -10.157 1.00 0.00 H new ATOM 0 HG LEU B 28 -11.877 11.685 -10.527 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -11.409 13.407 -8.835 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -12.402 12.082 -8.184 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -10.669 12.172 -7.789 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -9.793 12.981 -10.675 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -8.948 11.718 -9.749 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -9.616 11.347 -11.356 1.00 0.00 H new ATOM 1052 N VAL B 29 -12.275 7.123 -10.508 1.00 0.00 N ATOM 1053 CA VAL B 29 -12.427 6.144 -11.571 1.00 0.00 C ATOM 1054 C VAL B 29 -13.593 5.212 -11.238 1.00 0.00 C ATOM 1055 O VAL B 29 -14.602 5.251 -11.956 1.00 0.00 O ATOM 1056 CB VAL B 29 -11.109 5.399 -11.787 1.00 0.00 C ATOM 1057 CG1 VAL B 29 -11.116 4.648 -13.121 1.00 0.00 C ATOM 1058 CG2 VAL B 29 -9.917 6.355 -11.703 1.00 0.00 C ATOM 0 H VAL B 29 -11.843 6.757 -9.660 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.665 6.637 -12.513 1.00 0.00 H new ATOM 0 HB VAL B 29 -11.006 4.664 -10.988 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -10.167 4.127 -13.250 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -11.931 3.925 -13.127 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.254 5.357 -13.937 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -8.993 5.799 -11.860 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -10.013 7.124 -12.470 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -9.895 6.824 -10.719 1.00 0.00 H new ATOM 1068 N GLY B 30 -13.434 4.406 -10.172 1.00 0.00 N ATOM 1069 CA GLY B 30 -14.467 3.476 -9.749 1.00 0.00 C ATOM 1070 C GLY B 30 -15.703 4.259 -9.305 1.00 0.00 C ATOM 1071 O GLY B 30 -16.689 3.625 -8.901 1.00 0.00 O ATOM 0 H GLY B 30 -12.593 4.389 -9.594 1.00 0.00 H new ATOM 0 HA2 GLY B 30 -14.724 2.803 -10.567 1.00 0.00 H new ATOM 0 HA3 GLY B 30 -14.101 2.857 -8.930 1.00 0.00 H new