USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 560 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 17 ASN : amide:sc= -1.46 K(o=-3.2,f=-5.3!) USER MOD Set 1.2: B 17 ASN : amide:sc= -1.7! C(o=-3.2!,f=-5.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 163:sc= -0.0753 (180deg=-0.486) USER MOD Single : A 4 LYS NZ :NH3+ 165:sc= -0.0317 (180deg=-0.219) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 38:sc= 1.28 USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00702) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.0153 K(o=-0.015,f=-1.1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl 163:sc= -0.0794 (180deg=-0.508) USER MOD Single : B 4 LYS NZ :NH3+ 165:sc= -0.0309 (180deg=-0.228) USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 35:sc= 1.27 USER MOD Single : B 16 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00346) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 22 ASN : amide:sc= -0.0142 K(o=-0.014,f=-1.1) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.877 7.894 -4.636 1.00 0.00 N ATOM 2 CA GLY A 1 23.395 7.200 -3.418 1.00 0.00 C ATOM 3 C GLY A 1 22.288 6.214 -3.721 1.00 0.00 C ATOM 4 O GLY A 1 21.139 6.607 -3.919 1.00 0.00 O ATOM 0 H1 GLY A 1 24.634 8.559 -4.380 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.245 7.194 -5.312 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.091 8.416 -5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.227 6.676 -2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.036 7.937 -2.700 1.00 0.00 H new ATOM 10 N SER A 2 22.623 4.931 -3.747 1.00 0.00 N ATOM 11 CA SER A 2 21.648 3.898 -4.062 1.00 0.00 C ATOM 12 C SER A 2 20.755 3.640 -2.857 1.00 0.00 C ATOM 13 O SER A 2 19.551 3.437 -2.994 1.00 0.00 O ATOM 14 CB SER A 2 22.351 2.607 -4.483 1.00 0.00 C ATOM 15 OG SER A 2 23.277 2.847 -5.530 1.00 0.00 O ATOM 0 H SER A 2 23.562 4.582 -3.554 1.00 0.00 H new ATOM 0 HA SER A 2 21.032 4.242 -4.893 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.870 2.176 -3.627 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.611 1.876 -4.809 1.00 0.00 H new ATOM 0 HG SER A 2 23.714 2.006 -5.779 1.00 0.00 H new ATOM 21 N MET A 3 21.359 3.670 -1.676 1.00 0.00 N ATOM 22 CA MET A 3 20.632 3.461 -0.432 1.00 0.00 C ATOM 23 C MET A 3 19.589 4.558 -0.232 1.00 0.00 C ATOM 24 O MET A 3 18.486 4.303 0.251 1.00 0.00 O ATOM 25 CB MET A 3 21.612 3.423 0.744 1.00 0.00 C ATOM 26 CG MET A 3 20.947 3.279 2.105 1.00 0.00 C ATOM 27 SD MET A 3 19.951 1.780 2.245 1.00 0.00 S ATOM 28 CE MET A 3 21.186 0.513 1.969 1.00 0.00 C ATOM 0 H MET A 3 22.358 3.838 -1.554 1.00 0.00 H new ATOM 0 HA MET A 3 20.111 2.505 -0.483 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.303 2.592 0.600 1.00 0.00 H new ATOM 0 HB3 MET A 3 22.206 4.337 0.737 1.00 0.00 H new ATOM 0 HG2 MET A 3 21.714 3.273 2.880 1.00 0.00 H new ATOM 0 HG3 MET A 3 20.315 4.148 2.289 1.00 0.00 H new ATOM 0 HE1 MET A 3 20.805 -0.448 2.316 1.00 0.00 H new ATOM 0 HE2 MET A 3 21.412 0.451 0.905 1.00 0.00 H new ATOM 0 HE3 MET A 3 22.093 0.763 2.519 1.00 0.00 H new ATOM 38 N LYS A 4 19.938 5.775 -0.633 1.00 0.00 N ATOM 39 CA LYS A 4 19.009 6.897 -0.558 1.00 0.00 C ATOM 40 C LYS A 4 17.810 6.653 -1.466 1.00 0.00 C ATOM 41 O LYS A 4 16.667 6.910 -1.087 1.00 0.00 O ATOM 42 CB LYS A 4 19.695 8.208 -0.951 1.00 0.00 C ATOM 43 CG LYS A 4 20.698 8.722 0.073 1.00 0.00 C ATOM 44 CD LYS A 4 21.335 10.031 -0.370 1.00 0.00 C ATOM 45 CE LYS A 4 20.319 11.163 -0.437 1.00 0.00 C ATOM 46 NZ LYS A 4 19.706 11.445 0.890 1.00 0.00 N ATOM 0 H LYS A 4 20.855 6.010 -1.013 1.00 0.00 H new ATOM 0 HA LYS A 4 18.669 6.980 0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.206 8.066 -1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 4 18.932 8.970 -1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 4 20.198 8.866 1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 4 21.475 7.974 0.229 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.132 10.299 0.323 1.00 0.00 H new ATOM 0 HD3 LYS A 4 21.795 9.898 -1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 4 20.805 12.064 -0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 4 19.536 10.905 -1.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 19.223 12.366 0.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 19.018 10.700 1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 20.449 11.466 1.618 1.00 0.00 H new ATOM 60 N GLN A 5 18.080 6.134 -2.659 1.00 0.00 N ATOM 61 CA GLN A 5 17.030 5.847 -3.627 1.00 0.00 C ATOM 62 C GLN A 5 16.093 4.758 -3.117 1.00 0.00 C ATOM 63 O GLN A 5 14.891 4.806 -3.359 1.00 0.00 O ATOM 64 CB GLN A 5 17.629 5.429 -4.969 1.00 0.00 C ATOM 65 CG GLN A 5 18.370 6.548 -5.678 1.00 0.00 C ATOM 66 CD GLN A 5 18.911 6.127 -7.028 1.00 0.00 C ATOM 67 OE1 GLN A 5 18.346 5.258 -7.695 1.00 0.00 O ATOM 68 NE2 GLN A 5 20.009 6.735 -7.443 1.00 0.00 N ATOM 0 H GLN A 5 19.021 5.903 -2.979 1.00 0.00 H new ATOM 0 HA GLN A 5 16.454 6.762 -3.767 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.313 4.596 -4.808 1.00 0.00 H new ATOM 0 HB3 GLN A 5 16.831 5.066 -5.616 1.00 0.00 H new ATOM 0 HG2 GLN A 5 17.699 7.397 -5.809 1.00 0.00 H new ATOM 0 HG3 GLN A 5 19.194 6.887 -5.051 1.00 0.00 H new ATOM 0 HE21 GLN A 5 20.447 7.449 -6.862 1.00 0.00 H new ATOM 0 HE22 GLN A 5 20.418 6.490 -8.345 1.00 0.00 H new ATOM 77 N LEU A 6 16.646 3.780 -2.411 1.00 0.00 N ATOM 78 CA LEU A 6 15.839 2.710 -1.835 1.00 0.00 C ATOM 79 C LEU A 6 14.960 3.244 -0.710 1.00 0.00 C ATOM 80 O LEU A 6 13.784 2.893 -0.612 1.00 0.00 O ATOM 81 CB LEU A 6 16.726 1.569 -1.324 1.00 0.00 C ATOM 82 CG LEU A 6 17.008 0.444 -2.329 1.00 0.00 C ATOM 83 CD1 LEU A 6 15.717 -0.254 -2.727 1.00 0.00 C ATOM 84 CD2 LEU A 6 17.720 0.980 -3.560 1.00 0.00 C ATOM 0 H LEU A 6 17.646 3.705 -2.224 1.00 0.00 H new ATOM 0 HA LEU A 6 15.194 2.316 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.678 1.990 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.255 1.134 -0.442 1.00 0.00 H new ATOM 0 HG LEU A 6 17.662 -0.282 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 6 15.938 -1.048 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 6 15.247 -0.682 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 6 15.040 0.467 -3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 6 17.908 0.163 -4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 6 17.096 1.732 -4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 6 18.668 1.431 -3.265 1.00 0.00 H new ATOM 96 N GLU A 7 15.531 4.106 0.128 1.00 0.00 N ATOM 97 CA GLU A 7 14.790 4.728 1.212 1.00 0.00 C ATOM 98 C GLU A 7 13.647 5.581 0.660 1.00 0.00 C ATOM 99 O GLU A 7 12.570 5.662 1.254 1.00 0.00 O ATOM 100 CB GLU A 7 15.728 5.587 2.060 1.00 0.00 C ATOM 101 CG GLU A 7 15.152 5.931 3.418 1.00 0.00 C ATOM 102 CD GLU A 7 16.085 6.778 4.260 1.00 0.00 C ATOM 103 OE1 GLU A 7 17.046 6.220 4.827 1.00 0.00 O ATOM 104 OE2 GLU A 7 15.855 8.001 4.352 1.00 0.00 O ATOM 0 H GLU A 7 16.510 4.388 0.073 1.00 0.00 H new ATOM 0 HA GLU A 7 14.364 3.944 1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.672 5.059 2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.952 6.509 1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.210 6.463 3.283 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.924 5.010 3.954 1.00 0.00 H new ATOM 111 N ASP A 8 13.886 6.213 -0.482 1.00 0.00 N ATOM 112 CA ASP A 8 12.859 7.015 -1.137 1.00 0.00 C ATOM 113 C ASP A 8 11.864 6.126 -1.866 1.00 0.00 C ATOM 114 O ASP A 8 10.691 6.463 -1.981 1.00 0.00 O ATOM 115 CB ASP A 8 13.478 8.013 -2.117 1.00 0.00 C ATOM 116 CG ASP A 8 13.991 9.262 -1.429 1.00 0.00 C ATOM 117 OD1 ASP A 8 15.115 9.224 -0.892 1.00 0.00 O ATOM 118 OD2 ASP A 8 13.267 10.279 -1.429 1.00 0.00 O ATOM 0 H ASP A 8 14.779 6.186 -0.973 1.00 0.00 H new ATOM 0 HA ASP A 8 12.334 7.572 -0.361 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.299 7.533 -2.649 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.734 8.293 -2.863 1.00 0.00 H new ATOM 123 N LYS A 9 12.335 4.984 -2.346 1.00 0.00 N ATOM 124 CA LYS A 9 11.485 4.058 -3.082 1.00 0.00 C ATOM 125 C LYS A 9 10.482 3.391 -2.146 1.00 0.00 C ATOM 126 O LYS A 9 9.298 3.290 -2.465 1.00 0.00 O ATOM 127 CB LYS A 9 12.330 2.996 -3.792 1.00 0.00 C ATOM 128 CG LYS A 9 11.536 2.148 -4.770 1.00 0.00 C ATOM 129 CD LYS A 9 12.386 1.038 -5.370 1.00 0.00 C ATOM 130 CE LYS A 9 11.572 0.166 -6.311 1.00 0.00 C ATOM 131 NZ LYS A 9 12.402 -0.876 -6.973 1.00 0.00 N ATOM 0 H LYS A 9 13.301 4.676 -2.239 1.00 0.00 H new ATOM 0 HA LYS A 9 10.937 4.626 -3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.144 3.487 -4.326 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.785 2.346 -3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.676 1.713 -4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.147 2.780 -5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.227 1.473 -5.910 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.803 0.424 -4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.767 -0.313 -5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.105 0.792 -7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.804 -1.446 -7.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.155 -0.420 -7.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.828 -1.491 -6.251 1.00 0.00 H new ATOM 145 N VAL A 10 10.953 2.951 -0.985 1.00 0.00 N ATOM 146 CA VAL A 10 10.079 2.317 -0.004 1.00 0.00 C ATOM 147 C VAL A 10 9.052 3.321 0.530 1.00 0.00 C ATOM 148 O VAL A 10 7.917 2.961 0.845 1.00 0.00 O ATOM 149 CB VAL A 10 10.885 1.691 1.164 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.661 2.743 1.937 1.00 0.00 C ATOM 151 CG2 VAL A 10 9.968 0.915 2.093 1.00 0.00 C ATOM 0 H VAL A 10 11.930 3.021 -0.700 1.00 0.00 H new ATOM 0 HA VAL A 10 9.551 1.509 -0.509 1.00 0.00 H new ATOM 0 HB VAL A 10 11.608 1.000 0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.213 2.266 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.360 3.244 1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.968 3.475 2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.553 0.484 2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.215 1.586 2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.477 0.117 1.536 1.00 0.00 H new ATOM 161 N GLU A 11 9.445 4.590 0.600 1.00 0.00 N ATOM 162 CA GLU A 11 8.530 5.646 1.010 1.00 0.00 C ATOM 163 C GLU A 11 7.564 5.939 -0.138 1.00 0.00 C ATOM 164 O GLU A 11 6.389 6.220 0.083 1.00 0.00 O ATOM 165 CB GLU A 11 9.314 6.909 1.392 1.00 0.00 C ATOM 166 CG GLU A 11 8.604 7.828 2.384 1.00 0.00 C ATOM 167 CD GLU A 11 7.367 8.502 1.816 1.00 0.00 C ATOM 168 OE1 GLU A 11 7.521 9.455 1.026 1.00 0.00 O ATOM 169 OE2 GLU A 11 6.246 8.082 2.172 1.00 0.00 O ATOM 0 H GLU A 11 10.388 4.909 0.379 1.00 0.00 H new ATOM 0 HA GLU A 11 7.964 5.323 1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.272 6.610 1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.530 7.474 0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.320 7.249 3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.303 8.594 2.719 1.00 0.00 H new ATOM 176 N GLU A 12 8.075 5.877 -1.362 1.00 0.00 N ATOM 177 CA GLU A 12 7.248 6.012 -2.558 1.00 0.00 C ATOM 178 C GLU A 12 6.120 4.972 -2.552 1.00 0.00 C ATOM 179 O GLU A 12 4.975 5.286 -2.870 1.00 0.00 O ATOM 180 CB GLU A 12 8.120 5.869 -3.815 1.00 0.00 C ATOM 181 CG GLU A 12 7.473 6.364 -5.106 1.00 0.00 C ATOM 182 CD GLU A 12 6.433 5.415 -5.667 1.00 0.00 C ATOM 183 OE1 GLU A 12 6.811 4.296 -6.073 1.00 0.00 O ATOM 184 OE2 GLU A 12 5.243 5.793 -5.712 1.00 0.00 O ATOM 0 H GLU A 12 9.066 5.733 -1.554 1.00 0.00 H new ATOM 0 HA GLU A 12 6.791 7.002 -2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.050 6.416 -3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.385 4.819 -3.938 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.007 7.332 -4.921 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.250 6.522 -5.854 1.00 0.00 H new ATOM 191 N LEU A 13 6.440 3.731 -2.200 1.00 0.00 N ATOM 192 CA LEU A 13 5.400 2.710 -2.059 1.00 0.00 C ATOM 193 C LEU A 13 4.552 2.909 -0.806 1.00 0.00 C ATOM 194 O LEU A 13 3.499 2.288 -0.664 1.00 0.00 O ATOM 195 CB LEU A 13 5.957 1.284 -2.094 1.00 0.00 C ATOM 196 CG LEU A 13 6.239 0.754 -3.497 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.524 1.339 -4.061 1.00 0.00 C ATOM 198 CD2 LEU A 13 6.291 -0.763 -3.489 1.00 0.00 C ATOM 0 H LEU A 13 7.389 3.409 -2.010 1.00 0.00 H new ATOM 0 HA LEU A 13 4.757 2.838 -2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.879 1.252 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.248 0.618 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 13 5.423 1.068 -4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.696 0.942 -5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.438 2.424 -4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.360 1.071 -3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.493 -1.125 -4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.083 -1.096 -2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.335 -1.158 -3.146 1.00 0.00 H new ATOM 210 N LEU A 14 4.987 3.770 0.101 1.00 0.00 N ATOM 211 CA LEU A 14 4.178 4.092 1.260 1.00 0.00 C ATOM 212 C LEU A 14 3.087 5.067 0.844 1.00 0.00 C ATOM 213 O LEU A 14 1.957 4.997 1.322 1.00 0.00 O ATOM 214 CB LEU A 14 5.031 4.693 2.379 1.00 0.00 C ATOM 215 CG LEU A 14 4.421 4.622 3.779 1.00 0.00 C ATOM 216 CD1 LEU A 14 4.976 3.435 4.543 1.00 0.00 C ATOM 217 CD2 LEU A 14 4.677 5.903 4.545 1.00 0.00 C ATOM 0 H LEU A 14 5.885 4.252 0.056 1.00 0.00 H new ATOM 0 HA LEU A 14 3.729 3.177 1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.993 4.181 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.229 5.738 2.140 1.00 0.00 H new ATOM 0 HG LEU A 14 3.344 4.495 3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.530 3.401 5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.740 2.515 4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.058 3.534 4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.233 5.828 5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.751 6.062 4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.231 6.742 4.011 1.00 0.00 H new ATOM 229 N SER A 15 3.429 5.968 -0.070 1.00 0.00 N ATOM 230 CA SER A 15 2.442 6.846 -0.666 1.00 0.00 C ATOM 231 C SER A 15 1.584 6.063 -1.661 1.00 0.00 C ATOM 232 O SER A 15 0.422 6.400 -1.887 1.00 0.00 O ATOM 233 CB SER A 15 3.118 8.053 -1.323 1.00 0.00 C ATOM 234 OG SER A 15 4.333 7.684 -1.951 1.00 0.00 O ATOM 0 H SER A 15 4.381 6.106 -0.410 1.00 0.00 H new ATOM 0 HA SER A 15 1.786 7.231 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.445 8.493 -2.059 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.313 8.818 -0.571 1.00 0.00 H new ATOM 0 HG SER A 15 4.230 6.805 -2.372 1.00 0.00 H new ATOM 240 N LYS A 16 2.166 5.012 -2.251 1.00 0.00 N ATOM 241 CA LYS A 16 1.393 4.040 -3.020 1.00 0.00 C ATOM 242 C LYS A 16 0.275 3.461 -2.147 1.00 0.00 C ATOM 243 O LYS A 16 -0.880 3.378 -2.571 1.00 0.00 O ATOM 244 CB LYS A 16 2.317 2.924 -3.528 1.00 0.00 C ATOM 245 CG LYS A 16 1.617 1.811 -4.292 1.00 0.00 C ATOM 246 CD LYS A 16 2.600 0.717 -4.689 1.00 0.00 C ATOM 247 CE LYS A 16 1.894 -0.510 -5.250 1.00 0.00 C ATOM 248 NZ LYS A 16 1.126 -0.205 -6.485 1.00 0.00 N ATOM 0 H LYS A 16 3.166 4.817 -2.209 1.00 0.00 H new ATOM 0 HA LYS A 16 0.942 4.534 -3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.076 3.366 -4.173 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.838 2.488 -2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.824 1.386 -3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.143 2.220 -5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.295 1.107 -5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.192 0.429 -3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.631 -1.284 -5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.219 -0.914 -4.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.691 -1.077 -6.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.382 0.489 -6.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.767 0.188 -7.204 1.00 0.00 H new ATOM 262 N ASN A 17 0.630 3.082 -0.916 1.00 0.00 N ATOM 263 CA ASN A 17 -0.350 2.625 0.069 1.00 0.00 C ATOM 264 C ASN A 17 -1.349 3.725 0.392 1.00 0.00 C ATOM 265 O ASN A 17 -2.545 3.481 0.450 1.00 0.00 O ATOM 266 CB ASN A 17 0.330 2.179 1.367 1.00 0.00 C ATOM 267 CG ASN A 17 0.854 0.760 1.315 1.00 0.00 C ATOM 268 OD1 ASN A 17 0.128 -0.188 1.603 1.00 0.00 O ATOM 269 ND2 ASN A 17 2.123 0.604 0.977 1.00 0.00 N ATOM 0 H ASN A 17 1.593 3.083 -0.579 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.871 1.775 -0.372 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.156 2.855 1.587 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.380 2.266 2.189 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.532 -0.330 0.949 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.693 1.418 0.745 1.00 0.00 H new ATOM 276 N TYR A 18 -0.847 4.934 0.615 1.00 0.00 N ATOM 277 CA TYR A 18 -1.697 6.075 0.949 1.00 0.00 C ATOM 278 C TYR A 18 -2.776 6.300 -0.114 1.00 0.00 C ATOM 279 O TYR A 18 -3.932 6.562 0.216 1.00 0.00 O ATOM 280 CB TYR A 18 -0.852 7.341 1.119 1.00 0.00 C ATOM 281 CG TYR A 18 -1.657 8.559 1.520 1.00 0.00 C ATOM 282 CD1 TYR A 18 -1.960 9.553 0.597 1.00 0.00 C ATOM 283 CD2 TYR A 18 -2.122 8.709 2.821 1.00 0.00 C ATOM 284 CE1 TYR A 18 -2.700 10.661 0.960 1.00 0.00 C ATOM 285 CE2 TYR A 18 -2.864 9.815 3.191 1.00 0.00 C ATOM 286 CZ TYR A 18 -3.150 10.788 2.257 1.00 0.00 C ATOM 287 OH TYR A 18 -3.891 11.890 2.618 1.00 0.00 O ATOM 0 H TYR A 18 0.148 5.152 0.571 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.195 5.851 1.892 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.086 7.158 1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.334 7.550 0.183 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.611 9.457 -0.421 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.900 7.949 3.555 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.925 11.425 0.231 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.218 9.916 4.206 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.131 11.827 3.566 1.00 0.00 H new ATOM 297 N HIS A 19 -2.399 6.188 -1.384 1.00 0.00 N ATOM 298 CA HIS A 19 -3.353 6.366 -2.481 1.00 0.00 C ATOM 299 C HIS A 19 -4.398 5.258 -2.451 1.00 0.00 C ATOM 300 O HIS A 19 -5.594 5.500 -2.614 1.00 0.00 O ATOM 301 CB HIS A 19 -2.643 6.360 -3.840 1.00 0.00 C ATOM 302 CG HIS A 19 -1.614 7.435 -4.002 1.00 0.00 C ATOM 303 ND1 HIS A 19 -0.493 7.289 -4.792 1.00 0.00 N ATOM 304 CD2 HIS A 19 -1.537 8.678 -3.473 1.00 0.00 C ATOM 305 CE1 HIS A 19 0.225 8.395 -4.739 1.00 0.00 C ATOM 306 NE2 HIS A 19 -0.385 9.252 -3.946 1.00 0.00 N ATOM 0 H HIS A 19 -1.446 5.976 -1.681 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.839 7.333 -2.348 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.165 5.391 -3.983 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.389 6.466 -4.627 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.251 9.134 -2.802 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.156 8.568 -5.258 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.054 10.190 -3.720 1.00 0.00 H new ATOM 315 N LEU A 20 -3.929 4.045 -2.215 1.00 0.00 N ATOM 316 CA LEU A 20 -4.785 2.882 -2.161 1.00 0.00 C ATOM 317 C LEU A 20 -5.683 2.943 -0.925 1.00 0.00 C ATOM 318 O LEU A 20 -6.828 2.491 -0.948 1.00 0.00 O ATOM 319 CB LEU A 20 -3.900 1.637 -2.147 1.00 0.00 C ATOM 320 CG LEU A 20 -4.631 0.305 -2.204 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.417 0.173 -3.501 1.00 0.00 C ATOM 322 CD2 LEU A 20 -3.638 -0.835 -2.061 1.00 0.00 C ATOM 0 H LEU A 20 -2.942 3.843 -2.056 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.438 2.849 -3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.216 1.691 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.291 1.657 -1.243 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.340 0.261 -1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.931 -0.788 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.149 0.978 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.734 0.234 -4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.168 -1.787 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.911 -0.789 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.121 -0.749 -1.105 1.00 0.00 H new ATOM 334 N GLU A 21 -5.153 3.527 0.145 1.00 0.00 N ATOM 335 CA GLU A 21 -5.910 3.739 1.371 1.00 0.00 C ATOM 336 C GLU A 21 -7.062 4.707 1.119 1.00 0.00 C ATOM 337 O GLU A 21 -8.151 4.550 1.674 1.00 0.00 O ATOM 338 CB GLU A 21 -4.991 4.277 2.471 1.00 0.00 C ATOM 339 CG GLU A 21 -5.671 4.442 3.816 1.00 0.00 C ATOM 340 CD GLU A 21 -4.749 5.036 4.862 1.00 0.00 C ATOM 341 OE1 GLU A 21 -4.594 6.274 4.881 1.00 0.00 O ATOM 342 OE2 GLU A 21 -4.182 4.264 5.661 1.00 0.00 O ATOM 0 H GLU A 21 -4.191 3.865 0.186 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.324 2.785 1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.143 3.602 2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.591 5.241 2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.546 5.082 3.701 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.029 3.472 4.160 1.00 0.00 H new ATOM 349 N ASN A 22 -6.817 5.698 0.265 1.00 0.00 N ATOM 350 CA ASN A 22 -7.860 6.638 -0.134 1.00 0.00 C ATOM 351 C ASN A 22 -9.000 5.897 -0.824 1.00 0.00 C ATOM 352 O ASN A 22 -10.166 6.282 -0.729 1.00 0.00 O ATOM 353 CB ASN A 22 -7.306 7.720 -1.067 1.00 0.00 C ATOM 354 CG ASN A 22 -6.381 8.693 -0.359 1.00 0.00 C ATOM 355 OD1 ASN A 22 -6.505 8.928 0.844 1.00 0.00 O ATOM 356 ND2 ASN A 22 -5.455 9.278 -1.103 1.00 0.00 N ATOM 0 H ASN A 22 -5.907 5.870 -0.163 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.236 7.123 0.767 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.767 7.245 -1.886 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.136 8.271 -1.509 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.813 9.950 -0.683 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.384 9.057 -2.096 1.00 0.00 H new ATOM 363 N GLU A 23 -8.650 4.810 -1.502 1.00 0.00 N ATOM 364 CA GLU A 23 -9.627 3.997 -2.209 1.00 0.00 C ATOM 365 C GLU A 23 -10.452 3.172 -1.225 1.00 0.00 C ATOM 366 O GLU A 23 -11.640 2.938 -1.441 1.00 0.00 O ATOM 367 CB GLU A 23 -8.932 3.081 -3.218 1.00 0.00 C ATOM 368 CG GLU A 23 -8.098 3.829 -4.247 1.00 0.00 C ATOM 369 CD GLU A 23 -8.914 4.831 -5.045 1.00 0.00 C ATOM 370 OE1 GLU A 23 -8.866 6.034 -4.713 1.00 0.00 O ATOM 371 OE2 GLU A 23 -9.607 4.409 -5.992 1.00 0.00 O ATOM 0 H GLU A 23 -7.691 4.472 -1.576 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.299 4.663 -2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.290 2.383 -2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.685 2.487 -3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.285 4.349 -3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.642 3.112 -4.930 1.00 0.00 H new ATOM 378 N VAL A 24 -9.824 2.739 -0.141 1.00 0.00 N ATOM 379 CA VAL A 24 -10.539 2.003 0.895 1.00 0.00 C ATOM 380 C VAL A 24 -11.513 2.935 1.610 1.00 0.00 C ATOM 381 O VAL A 24 -12.640 2.556 1.933 1.00 0.00 O ATOM 382 CB VAL A 24 -9.585 1.380 1.942 1.00 0.00 C ATOM 383 CG1 VAL A 24 -10.343 0.450 2.880 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.445 0.634 1.275 1.00 0.00 C ATOM 0 H VAL A 24 -8.831 2.882 0.044 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.072 1.191 0.400 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.162 2.197 2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.652 0.024 3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.118 1.012 3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.803 -0.352 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.793 0.208 2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.848 -0.166 0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.874 1.323 0.653 1.00 0.00 H new ATOM 394 N ALA A 25 -11.072 4.169 1.830 1.00 0.00 N ATOM 395 CA ALA A 25 -11.859 5.145 2.577 1.00 0.00 C ATOM 396 C ALA A 25 -13.130 5.543 1.834 1.00 0.00 C ATOM 397 O ALA A 25 -14.191 5.681 2.447 1.00 0.00 O ATOM 398 CB ALA A 25 -11.028 6.377 2.892 1.00 0.00 C ATOM 0 H ALA A 25 -10.172 4.518 1.501 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.157 4.669 3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.634 7.092 3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.164 6.090 3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.690 6.835 1.963 1.00 0.00 H new ATOM 404 N ARG A 26 -13.032 5.723 0.515 1.00 0.00 N ATOM 405 CA ARG A 26 -14.191 6.114 -0.275 1.00 0.00 C ATOM 406 C ARG A 26 -15.264 5.033 -0.234 1.00 0.00 C ATOM 407 O ARG A 26 -16.446 5.326 -0.092 1.00 0.00 O ATOM 408 CB ARG A 26 -13.809 6.431 -1.727 1.00 0.00 C ATOM 409 CG ARG A 26 -12.877 5.428 -2.387 1.00 0.00 C ATOM 410 CD ARG A 26 -12.696 5.715 -3.867 1.00 0.00 C ATOM 411 NE ARG A 26 -12.052 7.001 -4.119 1.00 0.00 N ATOM 412 CZ ARG A 26 -11.856 7.507 -5.337 1.00 0.00 C ATOM 413 NH1 ARG A 26 -12.243 6.828 -6.411 1.00 0.00 N ATOM 414 NH2 ARG A 26 -11.265 8.685 -5.484 1.00 0.00 N ATOM 0 H ARG A 26 -12.171 5.605 -0.019 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.593 7.024 0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.722 6.498 -2.319 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -13.338 7.413 -1.755 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.907 5.452 -1.891 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.276 4.422 -2.258 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.100 4.921 -4.316 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.669 5.699 -4.357 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.733 7.544 -3.316 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.691 5.918 -6.305 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.092 7.217 -7.342 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.958 9.208 -4.664 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.117 9.068 -6.418 1.00 0.00 H new ATOM 428 N LEU A 27 -14.846 3.786 -0.336 1.00 0.00 N ATOM 429 CA LEU A 27 -15.780 2.672 -0.301 1.00 0.00 C ATOM 430 C LEU A 27 -16.348 2.458 1.095 1.00 0.00 C ATOM 431 O LEU A 27 -17.538 2.193 1.243 1.00 0.00 O ATOM 432 CB LEU A 27 -15.100 1.406 -0.776 1.00 0.00 C ATOM 433 CG LEU A 27 -14.564 1.456 -2.195 1.00 0.00 C ATOM 434 CD1 LEU A 27 -13.519 0.383 -2.392 1.00 0.00 C ATOM 435 CD2 LEU A 27 -15.700 1.288 -3.187 1.00 0.00 C ATOM 0 H LEU A 27 -13.868 3.517 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.607 2.915 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.275 1.180 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.809 0.581 -0.701 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.098 2.426 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.140 0.427 -3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.698 0.542 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.964 -0.596 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.305 1.325 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.188 0.327 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.425 2.091 -3.050 1.00 0.00 H new ATOM 447 N LYS A 28 -15.495 2.568 2.107 1.00 0.00 N ATOM 448 CA LYS A 28 -15.913 2.399 3.497 1.00 0.00 C ATOM 449 C LYS A 28 -17.152 3.241 3.814 1.00 0.00 C ATOM 450 O LYS A 28 -18.119 2.740 4.395 1.00 0.00 O ATOM 451 CB LYS A 28 -14.767 2.775 4.440 1.00 0.00 C ATOM 452 CG LYS A 28 -15.053 2.476 5.903 1.00 0.00 C ATOM 453 CD LYS A 28 -15.230 0.987 6.148 1.00 0.00 C ATOM 454 CE LYS A 28 -15.510 0.696 7.613 1.00 0.00 C ATOM 455 NZ LYS A 28 -15.702 -0.755 7.869 1.00 0.00 N ATOM 0 H LYS A 28 -14.503 2.775 1.991 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.172 1.351 3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.869 2.237 4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.553 3.838 4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.235 2.851 6.518 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.954 3.006 6.213 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.051 0.611 5.537 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.331 0.456 5.835 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.683 1.064 8.220 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.401 1.240 7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.890 -0.907 8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.508 -1.102 7.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.842 -1.273 7.595 1.00 0.00 H new ATOM 469 N LYS A 29 -17.133 4.506 3.410 1.00 0.00 N ATOM 470 CA LYS A 29 -18.243 5.404 3.675 1.00 0.00 C ATOM 471 C LYS A 29 -19.419 5.140 2.738 1.00 0.00 C ATOM 472 O LYS A 29 -20.559 5.463 3.061 1.00 0.00 O ATOM 473 CB LYS A 29 -17.790 6.858 3.558 1.00 0.00 C ATOM 474 CG LYS A 29 -17.191 7.213 2.208 1.00 0.00 C ATOM 475 CD LYS A 29 -16.763 8.670 2.145 1.00 0.00 C ATOM 476 CE LYS A 29 -15.653 8.976 3.138 1.00 0.00 C ATOM 477 NZ LYS A 29 -15.243 10.401 3.082 1.00 0.00 N ATOM 0 H LYS A 29 -16.359 4.930 2.898 1.00 0.00 H new ATOM 0 HA LYS A 29 -18.582 5.217 4.694 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -18.643 7.510 3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -17.054 7.062 4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.331 6.573 2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -17.921 7.014 1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -16.424 8.906 1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -17.621 9.310 2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.990 8.734 4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.792 8.341 2.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.485 10.571 3.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.898 10.626 2.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.059 11.006 3.307 1.00 0.00 H new ATOM 491 N LEU A 30 -19.146 4.554 1.580 1.00 0.00 N ATOM 492 CA LEU A 30 -20.206 4.204 0.640 1.00 0.00 C ATOM 493 C LEU A 30 -20.958 2.963 1.111 1.00 0.00 C ATOM 494 O LEU A 30 -22.165 2.843 0.903 1.00 0.00 O ATOM 495 CB LEU A 30 -19.640 3.991 -0.767 1.00 0.00 C ATOM 496 CG LEU A 30 -19.723 5.204 -1.704 1.00 0.00 C ATOM 497 CD1 LEU A 30 -19.090 6.438 -1.078 1.00 0.00 C ATOM 498 CD2 LEU A 30 -19.059 4.887 -3.035 1.00 0.00 C ATOM 0 H LEU A 30 -18.205 4.311 1.269 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.910 5.036 0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.595 3.694 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.170 3.159 -1.231 1.00 0.00 H new ATOM 0 HG LEU A 30 -20.777 5.422 -1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -19.167 7.277 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -19.609 6.683 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -18.040 6.239 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -19.125 5.755 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -18.011 4.637 -2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -19.564 4.041 -3.501 1.00 0.00 H new ATOM 510 N VAL A 31 -20.243 2.045 1.753 1.00 0.00 N ATOM 511 CA VAL A 31 -20.874 0.864 2.333 1.00 0.00 C ATOM 512 C VAL A 31 -21.604 1.243 3.620 1.00 0.00 C ATOM 513 O VAL A 31 -22.622 0.643 3.971 1.00 0.00 O ATOM 514 CB VAL A 31 -19.852 -0.265 2.625 1.00 0.00 C ATOM 515 CG1 VAL A 31 -20.556 -1.515 3.133 1.00 0.00 C ATOM 516 CG2 VAL A 31 -19.041 -0.591 1.385 1.00 0.00 C ATOM 0 H VAL A 31 -19.233 2.095 1.885 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.584 0.483 1.600 1.00 0.00 H new ATOM 0 HB VAL A 31 -19.174 0.091 3.401 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -19.819 -2.293 3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -21.093 -1.282 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -21.261 -1.867 2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.331 -1.386 1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.709 -0.919 0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.500 0.298 1.060 1.00 0.00 H new ATOM 526 N GLY A 32 -21.097 2.267 4.300 1.00 0.00 N ATOM 527 CA GLY A 32 -21.705 2.709 5.538 1.00 0.00 C ATOM 528 C GLY A 32 -22.904 3.597 5.296 1.00 0.00 C ATOM 529 O GLY A 32 -23.974 3.370 5.864 1.00 0.00 O ATOM 0 H GLY A 32 -20.275 2.798 4.014 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -22.009 1.841 6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -20.967 3.250 6.131 1.00 0.00 H new ATOM 533 N GLU A 33 -22.717 4.607 4.447 1.00 0.00 N ATOM 534 CA GLU A 33 -23.777 5.539 4.074 1.00 0.00 C ATOM 535 C GLU A 33 -24.179 6.402 5.270 1.00 0.00 C ATOM 536 O GLU A 33 -25.099 6.014 6.023 1.00 0.00 O ATOM 537 CB GLU A 33 -24.982 4.785 3.496 1.00 0.00 C ATOM 538 CG GLU A 33 -26.051 5.687 2.901 1.00 0.00 C ATOM 539 CD GLU A 33 -27.156 4.904 2.219 1.00 0.00 C ATOM 540 OE1 GLU A 33 -28.120 4.512 2.908 1.00 0.00 O ATOM 541 OE2 GLU A 33 -27.056 4.679 0.996 1.00 0.00 O ATOM 542 OXT GLU A 33 -23.552 7.467 5.461 1.00 0.00 O ATOM 0 H GLU A 33 -21.822 4.801 3.998 1.00 0.00 H new ATOM 0 HA GLU A 33 -23.398 6.203 3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -24.632 4.098 2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -25.430 4.179 4.284 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -26.481 6.305 3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -25.591 6.364 2.181 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 23.886 -8.122 3.902 1.00 0.00 N ATOM 551 CA GLY B 1 23.407 -7.405 2.696 1.00 0.00 C ATOM 552 C GLY B 1 22.298 -6.429 3.021 1.00 0.00 C ATOM 553 O GLY B 1 21.152 -6.828 3.226 1.00 0.00 O ATOM 0 H1 GLY B 1 24.645 -8.781 3.636 1.00 0.00 H new ATOM 0 H2 GLY B 1 24.250 -7.435 4.593 1.00 0.00 H new ATOM 0 H3 GLY B 1 23.099 -8.654 4.325 1.00 0.00 H new ATOM 0 HA2 GLY B 1 24.239 -6.870 2.238 1.00 0.00 H new ATOM 0 HA3 GLY B 1 23.051 -8.128 1.962 1.00 0.00 H new ATOM 559 N SER B 2 22.629 -5.145 3.057 1.00 0.00 N ATOM 560 CA SER B 2 21.655 -4.117 3.387 1.00 0.00 C ATOM 561 C SER B 2 20.759 -3.842 2.189 1.00 0.00 C ATOM 562 O SER B 2 19.552 -3.653 2.329 1.00 0.00 O ATOM 563 CB SER B 2 22.370 -2.838 3.822 1.00 0.00 C ATOM 564 OG SER B 2 23.315 -3.110 4.844 1.00 0.00 O ATOM 0 H SER B 2 23.566 -4.792 2.861 1.00 0.00 H new ATOM 0 HA SER B 2 21.035 -4.468 4.212 1.00 0.00 H new ATOM 0 HB2 SER B 2 22.873 -2.389 2.966 1.00 0.00 H new ATOM 0 HB3 SER B 2 21.640 -2.112 4.180 1.00 0.00 H new ATOM 0 HG SER B 2 23.762 -2.278 5.106 1.00 0.00 H new ATOM 570 N MET B 3 21.359 -3.855 1.005 1.00 0.00 N ATOM 571 CA MET B 3 20.626 -3.627 -0.234 1.00 0.00 C ATOM 572 C MET B 3 19.580 -4.720 -0.445 1.00 0.00 C ATOM 573 O MET B 3 18.475 -4.457 -0.923 1.00 0.00 O ATOM 574 CB MET B 3 21.602 -3.576 -1.413 1.00 0.00 C ATOM 575 CG MET B 3 20.932 -3.421 -2.773 1.00 0.00 C ATOM 576 SD MET B 3 19.936 -1.920 -2.904 1.00 0.00 S ATOM 577 CE MET B 3 21.172 -0.657 -2.602 1.00 0.00 C ATOM 0 H MET B 3 22.357 -4.022 0.877 1.00 0.00 H new ATOM 0 HA MET B 3 20.107 -2.671 -0.168 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.292 -2.745 -1.264 1.00 0.00 H new ATOM 0 HB3 MET B 3 22.198 -4.488 -1.416 1.00 0.00 H new ATOM 0 HG2 MET B 3 21.697 -3.411 -3.549 1.00 0.00 H new ATOM 0 HG3 MET B 3 20.298 -4.288 -2.960 1.00 0.00 H new ATOM 0 HE1 MET B 3 20.796 0.308 -2.940 1.00 0.00 H new ATOM 0 HE2 MET B 3 21.389 -0.608 -1.535 1.00 0.00 H new ATOM 0 HE3 MET B 3 22.084 -0.902 -3.147 1.00 0.00 H new ATOM 587 N LYS B 4 19.931 -5.945 -0.060 1.00 0.00 N ATOM 588 CA LYS B 4 19.000 -7.066 -0.143 1.00 0.00 C ATOM 589 C LYS B 4 17.808 -6.833 0.778 1.00 0.00 C ATOM 590 O LYS B 4 16.662 -7.092 0.407 1.00 0.00 O ATOM 591 CB LYS B 4 19.690 -8.382 0.229 1.00 0.00 C ATOM 592 CG LYS B 4 20.685 -8.884 -0.809 1.00 0.00 C ATOM 593 CD LYS B 4 21.325 -10.198 -0.383 1.00 0.00 C ATOM 594 CE LYS B 4 20.310 -11.331 -0.324 1.00 0.00 C ATOM 595 NZ LYS B 4 19.693 -11.597 -1.650 1.00 0.00 N ATOM 0 H LYS B 4 20.850 -6.185 0.311 1.00 0.00 H new ATOM 0 HA LYS B 4 18.651 -7.136 -1.173 1.00 0.00 H new ATOM 0 HB2 LYS B 4 20.209 -8.251 1.179 1.00 0.00 H new ATOM 0 HB3 LYS B 4 18.929 -9.146 0.385 1.00 0.00 H new ATOM 0 HG2 LYS B 4 20.178 -9.019 -1.764 1.00 0.00 H new ATOM 0 HG3 LYS B 4 21.461 -8.134 -0.963 1.00 0.00 H new ATOM 0 HD2 LYS B 4 22.119 -10.458 -1.082 1.00 0.00 H new ATOM 0 HD3 LYS B 4 21.789 -10.075 0.595 1.00 0.00 H new ATOM 0 HE2 LYS B 4 20.798 -12.236 0.037 1.00 0.00 H new ATOM 0 HE3 LYS B 4 19.530 -11.081 0.395 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 19.211 -12.518 -1.630 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 19.003 -10.850 -1.868 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 20.433 -11.610 -2.381 1.00 0.00 H new ATOM 609 N GLN B 5 18.084 -6.324 1.974 1.00 0.00 N ATOM 610 CA GLN B 5 17.040 -6.050 2.950 1.00 0.00 C ATOM 611 C GLN B 5 16.102 -4.956 2.456 1.00 0.00 C ATOM 612 O GLN B 5 14.900 -5.009 2.700 1.00 0.00 O ATOM 613 CB GLN B 5 17.646 -5.651 4.293 1.00 0.00 C ATOM 614 CG GLN B 5 18.389 -6.780 4.986 1.00 0.00 C ATOM 615 CD GLN B 5 18.928 -6.372 6.341 1.00 0.00 C ATOM 616 OE1 GLN B 5 18.357 -5.516 7.017 1.00 0.00 O ATOM 617 NE2 GLN B 5 20.027 -6.983 6.749 1.00 0.00 N ATOM 0 H GLN B 5 19.026 -6.093 2.290 1.00 0.00 H new ATOM 0 HA GLN B 5 16.463 -6.965 3.083 1.00 0.00 H new ATOM 0 HB2 GLN B 5 18.331 -4.817 4.139 1.00 0.00 H new ATOM 0 HB3 GLN B 5 16.852 -5.294 4.949 1.00 0.00 H new ATOM 0 HG2 GLN B 5 17.719 -7.632 5.106 1.00 0.00 H new ATOM 0 HG3 GLN B 5 19.214 -7.110 4.354 1.00 0.00 H new ATOM 0 HE21 GLN B 5 20.469 -7.687 6.157 1.00 0.00 H new ATOM 0 HE22 GLN B 5 20.433 -6.751 7.655 1.00 0.00 H new ATOM 626 N LEU B 6 16.651 -3.970 1.761 1.00 0.00 N ATOM 627 CA LEU B 6 15.843 -2.893 1.200 1.00 0.00 C ATOM 628 C LEU B 6 14.959 -3.412 0.072 1.00 0.00 C ATOM 629 O LEU B 6 13.783 -3.058 -0.016 1.00 0.00 O ATOM 630 CB LEU B 6 16.727 -1.745 0.700 1.00 0.00 C ATOM 631 CG LEU B 6 17.019 -0.635 1.718 1.00 0.00 C ATOM 632 CD1 LEU B 6 15.732 0.063 2.132 1.00 0.00 C ATOM 633 CD2 LEU B 6 17.734 -1.190 2.940 1.00 0.00 C ATOM 0 H LEU B 6 17.650 -3.892 1.572 1.00 0.00 H new ATOM 0 HA LEU B 6 15.202 -2.509 1.993 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.676 -2.162 0.364 1.00 0.00 H new ATOM 0 HB3 LEU B 6 16.249 -1.297 -0.171 1.00 0.00 H new ATOM 0 HG LEU B 6 17.674 0.094 1.241 1.00 0.00 H new ATOM 0 HD11 LEU B 6 15.959 0.847 2.854 1.00 0.00 H new ATOM 0 HD12 LEU B 6 15.259 0.504 1.255 1.00 0.00 H new ATOM 0 HD13 LEU B 6 15.054 -0.661 2.584 1.00 0.00 H new ATOM 0 HD21 LEU B 6 17.929 -0.382 3.646 1.00 0.00 H new ATOM 0 HD22 LEU B 6 17.108 -1.945 3.416 1.00 0.00 H new ATOM 0 HD23 LEU B 6 18.678 -1.641 2.635 1.00 0.00 H new ATOM 645 N GLU B 7 15.526 -4.263 -0.778 1.00 0.00 N ATOM 646 CA GLU B 7 14.780 -4.870 -1.867 1.00 0.00 C ATOM 647 C GLU B 7 13.637 -5.730 -1.323 1.00 0.00 C ATOM 648 O GLU B 7 12.559 -5.802 -1.916 1.00 0.00 O ATOM 649 CB GLU B 7 15.713 -5.720 -2.726 1.00 0.00 C ATOM 650 CG GLU B 7 15.133 -6.051 -4.086 1.00 0.00 C ATOM 651 CD GLU B 7 16.063 -6.893 -4.936 1.00 0.00 C ATOM 652 OE1 GLU B 7 17.010 -6.328 -5.518 1.00 0.00 O ATOM 653 OE2 GLU B 7 15.840 -8.119 -5.024 1.00 0.00 O ATOM 0 H GLU B 7 16.505 -4.547 -0.730 1.00 0.00 H new ATOM 0 HA GLU B 7 14.353 -4.077 -2.481 1.00 0.00 H new ATOM 0 HB2 GLU B 7 16.657 -5.191 -2.859 1.00 0.00 H new ATOM 0 HB3 GLU B 7 15.939 -6.647 -2.199 1.00 0.00 H new ATOM 0 HG2 GLU B 7 14.190 -6.582 -3.954 1.00 0.00 H new ATOM 0 HG3 GLU B 7 14.906 -5.125 -4.614 1.00 0.00 H new ATOM 660 N ASP B 8 13.880 -6.377 -0.190 1.00 0.00 N ATOM 661 CA ASP B 8 12.854 -7.185 0.459 1.00 0.00 C ATOM 662 C ASP B 8 11.863 -6.306 1.206 1.00 0.00 C ATOM 663 O ASP B 8 10.691 -6.651 1.329 1.00 0.00 O ATOM 664 CB ASP B 8 13.477 -8.198 1.422 1.00 0.00 C ATOM 665 CG ASP B 8 13.982 -9.437 0.713 1.00 0.00 C ATOM 666 OD1 ASP B 8 15.102 -9.394 0.166 1.00 0.00 O ATOM 667 OD2 ASP B 8 13.257 -10.454 0.707 1.00 0.00 O ATOM 0 H ASP B 8 14.776 -6.359 0.298 1.00 0.00 H new ATOM 0 HA ASP B 8 12.323 -7.729 -0.322 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.302 -7.727 1.956 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.738 -8.487 2.169 1.00 0.00 H new ATOM 672 N LYS B 9 12.336 -5.169 1.697 1.00 0.00 N ATOM 673 CA LYS B 9 11.491 -4.251 2.448 1.00 0.00 C ATOM 674 C LYS B 9 10.484 -3.572 1.523 1.00 0.00 C ATOM 675 O LYS B 9 9.302 -3.476 1.847 1.00 0.00 O ATOM 676 CB LYS B 9 12.338 -3.198 3.166 1.00 0.00 C ATOM 677 CG LYS B 9 11.549 -2.358 4.156 1.00 0.00 C ATOM 678 CD LYS B 9 12.405 -1.261 4.770 1.00 0.00 C ATOM 679 CE LYS B 9 11.596 -0.398 5.725 1.00 0.00 C ATOM 680 NZ LYS B 9 12.434 0.630 6.397 1.00 0.00 N ATOM 0 H LYS B 9 13.302 -4.860 1.589 1.00 0.00 H new ATOM 0 HA LYS B 9 10.947 -4.827 3.196 1.00 0.00 H new ATOM 0 HB2 LYS B 9 13.153 -3.695 3.692 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.792 -2.541 2.424 1.00 0.00 H new ATOM 0 HG2 LYS B 9 10.691 -1.912 3.652 1.00 0.00 H new ATOM 0 HG3 LYS B 9 11.157 -2.999 4.946 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.245 -1.707 5.303 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.824 -0.638 3.980 1.00 0.00 H new ATOM 0 HE2 LYS B 9 10.792 0.093 5.177 1.00 0.00 H new ATOM 0 HE3 LYS B 9 11.128 -1.032 6.478 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 11.842 1.195 7.039 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 13.186 0.163 6.942 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.861 1.252 5.681 1.00 0.00 H new ATOM 694 N VAL B 10 10.951 -3.117 0.367 1.00 0.00 N ATOM 695 CA VAL B 10 10.076 -2.472 -0.603 1.00 0.00 C ATOM 696 C VAL B 10 9.044 -3.469 -1.145 1.00 0.00 C ATOM 697 O VAL B 10 7.907 -3.105 -1.445 1.00 0.00 O ATOM 698 CB VAL B 10 10.876 -1.833 -1.765 1.00 0.00 C ATOM 699 CG1 VAL B 10 11.652 -2.874 -2.551 1.00 0.00 C ATOM 700 CG2 VAL B 10 9.954 -1.050 -2.682 1.00 0.00 C ATOM 0 H VAL B 10 11.927 -3.182 0.079 1.00 0.00 H new ATOM 0 HA VAL B 10 9.551 -1.669 -0.086 1.00 0.00 H new ATOM 0 HB VAL B 10 11.599 -1.145 -1.326 1.00 0.00 H new ATOM 0 HG11 VAL B 10 12.200 -2.387 -3.357 1.00 0.00 H new ATOM 0 HG12 VAL B 10 12.354 -3.381 -1.889 1.00 0.00 H new ATOM 0 HG13 VAL B 10 10.959 -3.603 -2.972 1.00 0.00 H new ATOM 0 HG21 VAL B 10 10.535 -0.609 -3.492 1.00 0.00 H new ATOM 0 HG22 VAL B 10 9.201 -1.719 -3.098 1.00 0.00 H new ATOM 0 HG23 VAL B 10 9.463 -0.259 -2.115 1.00 0.00 H new ATOM 710 N GLU B 11 9.439 -4.735 -1.236 1.00 0.00 N ATOM 711 CA GLU B 11 8.522 -5.786 -1.654 1.00 0.00 C ATOM 712 C GLU B 11 7.562 -6.096 -0.506 1.00 0.00 C ATOM 713 O GLU B 11 6.387 -6.377 -0.725 1.00 0.00 O ATOM 714 CB GLU B 11 9.304 -7.042 -2.059 1.00 0.00 C ATOM 715 CG GLU B 11 8.585 -7.945 -3.060 1.00 0.00 C ATOM 716 CD GLU B 11 7.350 -8.624 -2.495 1.00 0.00 C ATOM 717 OE1 GLU B 11 7.504 -9.588 -1.721 1.00 0.00 O ATOM 718 OE2 GLU B 11 6.228 -8.196 -2.839 1.00 0.00 O ATOM 0 H GLU B 11 10.384 -5.056 -1.027 1.00 0.00 H new ATOM 0 HA GLU B 11 7.950 -5.451 -2.519 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.259 -6.737 -2.486 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.526 -7.621 -1.162 1.00 0.00 H new ATOM 0 HG2 GLU B 11 8.297 -7.352 -3.928 1.00 0.00 H new ATOM 0 HG3 GLU B 11 9.280 -8.708 -3.411 1.00 0.00 H new ATOM 725 N GLU B 12 8.078 -6.047 0.717 1.00 0.00 N ATOM 726 CA GLU B 12 7.253 -6.196 1.914 1.00 0.00 C ATOM 727 C GLU B 12 6.127 -5.155 1.922 1.00 0.00 C ATOM 728 O GLU B 12 4.983 -5.471 2.236 1.00 0.00 O ATOM 729 CB GLU B 12 8.128 -6.068 3.171 1.00 0.00 C ATOM 730 CG GLU B 12 7.485 -6.576 4.458 1.00 0.00 C ATOM 731 CD GLU B 12 6.453 -5.626 5.037 1.00 0.00 C ATOM 732 OE1 GLU B 12 6.840 -4.515 5.454 1.00 0.00 O ATOM 733 OE2 GLU B 12 5.263 -5.996 5.085 1.00 0.00 O ATOM 0 H GLU B 12 9.070 -5.904 0.908 1.00 0.00 H new ATOM 0 HA GLU B 12 6.795 -7.185 1.909 1.00 0.00 H new ATOM 0 HB2 GLU B 12 9.057 -6.614 3.006 1.00 0.00 H new ATOM 0 HB3 GLU B 12 8.394 -5.020 3.305 1.00 0.00 H new ATOM 0 HG2 GLU B 12 7.012 -7.538 4.263 1.00 0.00 H new ATOM 0 HG3 GLU B 12 8.264 -6.749 5.200 1.00 0.00 H new ATOM 740 N LEU B 13 6.446 -3.910 1.588 1.00 0.00 N ATOM 741 CA LEU B 13 5.405 -2.887 1.464 1.00 0.00 C ATOM 742 C LEU B 13 4.552 -3.070 0.212 1.00 0.00 C ATOM 743 O LEU B 13 3.500 -2.444 0.083 1.00 0.00 O ATOM 744 CB LEU B 13 5.961 -1.461 1.513 1.00 0.00 C ATOM 745 CG LEU B 13 6.248 -0.948 2.921 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.535 -1.539 3.473 1.00 0.00 C ATOM 747 CD2 LEU B 13 6.304 0.569 2.932 1.00 0.00 C ATOM 0 H LEU B 13 7.395 -3.585 1.401 1.00 0.00 H new ATOM 0 HA LEU B 13 4.767 -3.027 2.337 1.00 0.00 H new ATOM 0 HB2 LEU B 13 6.881 -1.422 0.930 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.250 -0.789 1.032 1.00 0.00 H new ATOM 0 HG LEU B 13 5.432 -1.270 3.569 1.00 0.00 H new ATOM 0 HD11 LEU B 13 7.711 -1.154 4.477 1.00 0.00 H new ATOM 0 HD12 LEU B 13 7.450 -2.625 3.511 1.00 0.00 H new ATOM 0 HD13 LEU B 13 8.369 -1.263 2.827 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.510 0.918 3.944 1.00 0.00 H new ATOM 0 HD22 LEU B 13 7.095 0.909 2.263 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.348 0.971 2.597 1.00 0.00 H new ATOM 759 N LEU B 14 4.982 -3.920 -0.708 1.00 0.00 N ATOM 760 CA LEU B 14 4.169 -4.227 -1.869 1.00 0.00 C ATOM 761 C LEU B 14 3.079 -5.207 -1.461 1.00 0.00 C ATOM 762 O LEU B 14 1.947 -5.136 -1.944 1.00 0.00 O ATOM 763 CB LEU B 14 5.019 -4.815 -2.997 1.00 0.00 C ATOM 764 CG LEU B 14 4.403 -4.732 -4.395 1.00 0.00 C ATOM 765 CD1 LEU B 14 4.950 -3.532 -5.146 1.00 0.00 C ATOM 766 CD2 LEU B 14 4.664 -6.004 -5.177 1.00 0.00 C ATOM 0 H LEU B 14 5.879 -4.403 -0.673 1.00 0.00 H new ATOM 0 HA LEU B 14 3.719 -3.307 -2.242 1.00 0.00 H new ATOM 0 HB2 LEU B 14 5.980 -4.301 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU B 14 5.221 -5.862 -2.769 1.00 0.00 H new ATOM 0 HG LEU B 14 3.325 -4.614 -4.283 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.501 -3.488 -6.138 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.710 -2.620 -4.599 1.00 0.00 H new ATOM 0 HD13 LEU B 14 6.032 -3.624 -5.241 1.00 0.00 H new ATOM 0 HD21 LEU B 14 4.216 -5.921 -6.167 1.00 0.00 H new ATOM 0 HD22 LEU B 14 5.739 -6.156 -5.276 1.00 0.00 H new ATOM 0 HD23 LEU B 14 4.225 -6.851 -4.651 1.00 0.00 H new ATOM 778 N SER B 15 3.423 -6.118 -0.557 1.00 0.00 N ATOM 779 CA SER B 15 2.437 -7.002 0.032 1.00 0.00 C ATOM 780 C SER B 15 1.585 -6.230 1.040 1.00 0.00 C ATOM 781 O SER B 15 0.423 -6.568 1.266 1.00 0.00 O ATOM 782 CB SER B 15 3.113 -8.224 0.668 1.00 0.00 C ATOM 783 OG SER B 15 4.331 -7.875 1.302 1.00 0.00 O ATOM 0 H SER B 15 4.375 -6.260 -0.220 1.00 0.00 H new ATOM 0 HA SER B 15 1.776 -7.375 -0.750 1.00 0.00 H new ATOM 0 HB2 SER B 15 2.439 -8.675 1.396 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.303 -8.975 -0.098 1.00 0.00 H new ATOM 0 HG SER B 15 4.248 -6.984 1.701 1.00 0.00 H new ATOM 789 N LYS B 16 2.169 -5.185 1.640 1.00 0.00 N ATOM 790 CA LYS B 16 1.399 -4.224 2.422 1.00 0.00 C ATOM 791 C LYS B 16 0.280 -3.638 1.557 1.00 0.00 C ATOM 792 O LYS B 16 -0.875 -3.575 1.981 1.00 0.00 O ATOM 793 CB LYS B 16 2.327 -3.116 2.942 1.00 0.00 C ATOM 794 CG LYS B 16 1.630 -2.011 3.724 1.00 0.00 C ATOM 795 CD LYS B 16 2.617 -0.923 4.131 1.00 0.00 C ATOM 796 CE LYS B 16 1.917 0.301 4.708 1.00 0.00 C ATOM 797 NZ LYS B 16 1.163 -0.014 5.948 1.00 0.00 N ATOM 0 H LYS B 16 3.169 -4.988 1.596 1.00 0.00 H new ATOM 0 HA LYS B 16 0.948 -4.724 3.279 1.00 0.00 H new ATOM 0 HB2 LYS B 16 3.087 -3.568 3.579 1.00 0.00 H new ATOM 0 HB3 LYS B 16 2.846 -2.669 2.094 1.00 0.00 H new ATOM 0 HG2 LYS B 16 0.835 -1.577 3.117 1.00 0.00 H new ATOM 0 HG3 LYS B 16 1.159 -2.431 4.613 1.00 0.00 H new ATOM 0 HD2 LYS B 16 3.313 -1.323 4.869 1.00 0.00 H new ATOM 0 HD3 LYS B 16 3.207 -0.627 3.264 1.00 0.00 H new ATOM 0 HE2 LYS B 16 2.656 1.073 4.921 1.00 0.00 H new ATOM 0 HE3 LYS B 16 1.234 0.711 3.964 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 0.718 0.852 6.313 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 0.428 -0.719 5.738 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 1.815 -0.396 6.663 1.00 0.00 H new ATOM 811 N ASN B 17 0.633 -3.238 0.332 1.00 0.00 N ATOM 812 CA ASN B 17 -0.353 -2.771 -0.640 1.00 0.00 C ATOM 813 C ASN B 17 -1.353 -3.869 -0.968 1.00 0.00 C ATOM 814 O ASN B 17 -2.550 -3.630 -1.003 1.00 0.00 O ATOM 815 CB ASN B 17 0.322 -2.310 -1.936 1.00 0.00 C ATOM 816 CG ASN B 17 0.851 -0.893 -1.865 1.00 0.00 C ATOM 817 OD1 ASN B 17 0.129 0.062 -2.135 1.00 0.00 O ATOM 818 ND2 ASN B 17 2.124 -0.744 -1.529 1.00 0.00 N ATOM 0 H ASN B 17 1.595 -3.229 -0.008 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.875 -1.927 -0.189 1.00 0.00 H new ATOM 0 HB2 ASN B 17 1.144 -2.986 -2.169 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -0.393 -2.383 -2.756 1.00 0.00 H new ATOM 0 HD21 ASN B 17 2.535 0.189 -1.488 1.00 0.00 H new ATOM 0 HD22 ASN B 17 2.693 -1.562 -1.311 1.00 0.00 H new ATOM 825 N TYR B 18 -0.852 -5.073 -1.209 1.00 0.00 N ATOM 826 CA TYR B 18 -1.704 -6.209 -1.555 1.00 0.00 C ATOM 827 C TYR B 18 -2.782 -6.447 -0.493 1.00 0.00 C ATOM 828 O TYR B 18 -3.937 -6.708 -0.822 1.00 0.00 O ATOM 829 CB TYR B 18 -0.861 -7.472 -1.745 1.00 0.00 C ATOM 830 CG TYR B 18 -1.669 -8.685 -2.159 1.00 0.00 C ATOM 831 CD1 TYR B 18 -1.973 -9.689 -1.248 1.00 0.00 C ATOM 832 CD2 TYR B 18 -2.139 -8.816 -3.460 1.00 0.00 C ATOM 833 CE1 TYR B 18 -2.721 -10.790 -1.623 1.00 0.00 C ATOM 834 CE2 TYR B 18 -2.885 -9.915 -3.842 1.00 0.00 C ATOM 835 CZ TYR B 18 -3.173 -10.897 -2.920 1.00 0.00 C ATOM 836 OH TYR B 18 -3.925 -11.990 -3.296 1.00 0.00 O ATOM 0 H TYR B 18 0.144 -5.291 -1.172 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.205 -5.972 -2.494 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -0.098 -7.279 -2.499 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.339 -7.694 -0.814 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -1.619 -9.608 -0.231 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.918 -8.046 -4.185 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -2.950 -11.562 -0.903 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -3.240 -10.003 -4.858 1.00 0.00 H new ATOM 0 HH TYR B 18 -4.165 -11.912 -4.243 1.00 0.00 H new ATOM 846 N HIS B 19 -2.403 -6.348 0.779 1.00 0.00 N ATOM 847 CA HIS B 19 -3.353 -6.543 1.875 1.00 0.00 C ATOM 848 C HIS B 19 -4.397 -5.434 1.866 1.00 0.00 C ATOM 849 O HIS B 19 -5.595 -5.678 2.036 1.00 0.00 O ATOM 850 CB HIS B 19 -2.638 -6.558 3.231 1.00 0.00 C ATOM 851 CG HIS B 19 -1.609 -7.639 3.372 1.00 0.00 C ATOM 852 ND1 HIS B 19 -0.483 -7.506 4.155 1.00 0.00 N ATOM 853 CD2 HIS B 19 -1.539 -8.875 2.823 1.00 0.00 C ATOM 854 CE1 HIS B 19 0.233 -8.614 4.082 1.00 0.00 C ATOM 855 NE2 HIS B 19 -0.385 -9.458 3.280 1.00 0.00 N ATOM 0 H HIS B 19 -1.451 -6.135 1.077 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.840 -7.507 1.728 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.157 -5.592 3.386 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.381 -6.675 4.020 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -2.258 -9.319 2.151 1.00 0.00 H new ATOM 0 HE1 HIS B 19 1.167 -8.797 4.593 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -0.058 -10.393 3.038 1.00 0.00 H new ATOM 864 N LEU B 20 -3.928 -4.218 1.641 1.00 0.00 N ATOM 865 CA LEU B 20 -4.780 -3.052 1.605 1.00 0.00 C ATOM 866 C LEU B 20 -5.684 -3.098 0.371 1.00 0.00 C ATOM 867 O LEU B 20 -6.832 -2.655 0.404 1.00 0.00 O ATOM 868 CB LEU B 20 -3.895 -1.806 1.602 1.00 0.00 C ATOM 869 CG LEU B 20 -4.624 -0.475 1.674 1.00 0.00 C ATOM 870 CD1 LEU B 20 -5.404 -0.356 2.975 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.635 0.668 1.537 1.00 0.00 C ATOM 0 H LEU B 20 -2.942 -4.016 1.478 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.427 -3.027 2.482 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.209 -1.869 2.447 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -3.288 -1.817 0.697 1.00 0.00 H new ATOM 0 HG LEU B 20 -5.335 -0.424 0.850 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -5.918 0.605 3.005 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -6.136 -1.161 3.035 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -4.717 -0.426 3.819 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.167 1.618 1.590 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -2.905 0.616 2.344 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -3.122 0.592 0.578 1.00 0.00 H new ATOM 883 N GLU B 21 -5.159 -3.668 -0.708 1.00 0.00 N ATOM 884 CA GLU B 21 -5.922 -3.865 -1.935 1.00 0.00 C ATOM 885 C GLU B 21 -7.071 -4.837 -1.691 1.00 0.00 C ATOM 886 O GLU B 21 -8.162 -4.677 -2.242 1.00 0.00 O ATOM 887 CB GLU B 21 -5.008 -4.390 -3.046 1.00 0.00 C ATOM 888 CG GLU B 21 -5.696 -4.539 -4.391 1.00 0.00 C ATOM 889 CD GLU B 21 -4.779 -5.112 -5.454 1.00 0.00 C ATOM 890 OE1 GLU B 21 -4.603 -6.348 -5.480 1.00 0.00 O ATOM 891 OE2 GLU B 21 -4.241 -4.326 -6.262 1.00 0.00 O ATOM 0 H GLU B 21 -4.198 -4.005 -0.757 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.337 -2.907 -2.248 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -4.161 -3.713 -3.156 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.606 -5.358 -2.745 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -6.566 -5.186 -4.280 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -6.062 -3.566 -4.718 1.00 0.00 H new ATOM 898 N ASN B 22 -6.824 -5.839 -0.851 1.00 0.00 N ATOM 899 CA ASN B 22 -7.865 -6.783 -0.459 1.00 0.00 C ATOM 900 C ASN B 22 -9.001 -6.050 0.246 1.00 0.00 C ATOM 901 O ASN B 22 -10.166 -6.441 0.154 1.00 0.00 O ATOM 902 CB ASN B 22 -7.311 -7.876 0.458 1.00 0.00 C ATOM 903 CG ASN B 22 -6.390 -8.841 -0.264 1.00 0.00 C ATOM 904 OD1 ASN B 22 -6.517 -9.062 -1.470 1.00 0.00 O ATOM 905 ND2 ASN B 22 -5.466 -9.439 0.473 1.00 0.00 N ATOM 0 H ASN B 22 -5.913 -6.017 -0.429 1.00 0.00 H new ATOM 0 HA ASN B 22 -8.243 -7.256 -1.365 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.769 -7.412 1.282 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -8.141 -8.432 0.895 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -4.827 -10.109 0.045 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -5.393 -9.229 1.468 1.00 0.00 H new ATOM 912 N GLU B 23 -8.648 -4.971 0.934 1.00 0.00 N ATOM 913 CA GLU B 23 -9.622 -4.164 1.656 1.00 0.00 C ATOM 914 C GLU B 23 -10.451 -3.328 0.686 1.00 0.00 C ATOM 915 O GLU B 23 -11.640 -3.104 0.907 1.00 0.00 O ATOM 916 CB GLU B 23 -8.923 -3.260 2.672 1.00 0.00 C ATOM 917 CG GLU B 23 -8.085 -4.023 3.688 1.00 0.00 C ATOM 918 CD GLU B 23 -8.894 -5.034 4.480 1.00 0.00 C ATOM 919 OE1 GLU B 23 -8.842 -6.234 4.138 1.00 0.00 O ATOM 920 OE2 GLU B 23 -9.585 -4.625 5.435 1.00 0.00 O ATOM 0 H GLU B 23 -7.688 -4.634 1.007 1.00 0.00 H new ATOM 0 HA GLU B 23 -10.291 -4.836 2.193 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -8.283 -2.556 2.140 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.674 -2.672 3.200 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -7.276 -4.538 3.171 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.624 -3.315 4.376 1.00 0.00 H new ATOM 927 N VAL B 24 -9.828 -2.880 -0.394 1.00 0.00 N ATOM 928 CA VAL B 24 -10.545 -2.131 -1.419 1.00 0.00 C ATOM 929 C VAL B 24 -11.523 -3.054 -2.140 1.00 0.00 C ATOM 930 O VAL B 24 -12.654 -2.675 -2.442 1.00 0.00 O ATOM 931 CB VAL B 24 -9.593 -1.498 -2.465 1.00 0.00 C ATOM 932 CG1 VAL B 24 -10.353 -0.559 -3.393 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.451 -0.758 -1.795 1.00 0.00 C ATOM 0 H VAL B 24 -8.836 -3.020 -0.584 1.00 0.00 H new ATOM 0 HA VAL B 24 -11.074 -1.323 -0.913 1.00 0.00 H new ATOM 0 HB VAL B 24 -9.172 -2.310 -3.058 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -9.663 -0.127 -4.118 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -11.129 -1.116 -3.918 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -10.811 0.239 -2.808 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -7.801 -0.326 -2.556 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.852 0.037 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.878 -1.453 -1.181 1.00 0.00 H new ATOM 943 N ALA B 25 -11.084 -4.283 -2.380 1.00 0.00 N ATOM 944 CA ALA B 25 -11.875 -5.248 -3.134 1.00 0.00 C ATOM 945 C ALA B 25 -13.143 -5.655 -2.389 1.00 0.00 C ATOM 946 O ALA B 25 -14.205 -5.790 -3.000 1.00 0.00 O ATOM 947 CB ALA B 25 -11.045 -6.475 -3.468 1.00 0.00 C ATOM 0 H ALA B 25 -10.181 -4.636 -2.062 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.180 -4.761 -4.060 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -11.653 -7.183 -4.031 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.184 -6.180 -4.067 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -10.702 -6.944 -2.546 1.00 0.00 H new ATOM 953 N ARG B 26 -13.041 -5.848 -1.073 1.00 0.00 N ATOM 954 CA ARG B 26 -14.197 -6.250 -0.286 1.00 0.00 C ATOM 955 C ARG B 26 -15.269 -5.170 -0.310 1.00 0.00 C ATOM 956 O ARG B 26 -16.451 -5.460 -0.454 1.00 0.00 O ATOM 957 CB ARG B 26 -13.810 -6.585 1.160 1.00 0.00 C ATOM 958 CG ARG B 26 -12.871 -5.592 1.831 1.00 0.00 C ATOM 959 CD ARG B 26 -12.688 -5.900 3.308 1.00 0.00 C ATOM 960 NE ARG B 26 -12.043 -7.191 3.540 1.00 0.00 N ATOM 961 CZ ARG B 26 -11.842 -7.711 4.751 1.00 0.00 C ATOM 962 NH1 ARG B 26 -12.237 -7.055 5.835 1.00 0.00 N ATOM 963 NH2 ARG B 26 -11.248 -8.889 4.879 1.00 0.00 N ATOM 0 H ARG B 26 -12.179 -5.733 -0.539 1.00 0.00 H new ATOM 0 HA ARG B 26 -14.600 -7.155 -0.741 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -14.721 -6.657 1.755 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -13.341 -7.569 1.174 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -11.902 -5.613 1.332 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -13.266 -4.583 1.716 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -12.091 -5.112 3.768 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -13.661 -5.891 3.800 1.00 0.00 H new ATOM 0 HE ARG B 26 -11.729 -7.724 2.729 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -12.697 -6.149 5.744 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -12.081 -7.457 6.759 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -10.944 -9.399 4.050 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -11.095 -9.285 5.806 1.00 0.00 H new ATOM 977 N LEU B 27 -14.850 -3.927 -0.193 1.00 0.00 N ATOM 978 CA LEU B 27 -15.781 -2.811 -0.210 1.00 0.00 C ATOM 979 C LEU B 27 -16.356 -2.581 -1.600 1.00 0.00 C ATOM 980 O LEU B 27 -17.546 -2.312 -1.741 1.00 0.00 O ATOM 981 CB LEU B 27 -15.097 -1.551 0.275 1.00 0.00 C ATOM 982 CG LEU B 27 -14.556 -1.613 1.690 1.00 0.00 C ATOM 983 CD1 LEU B 27 -13.510 -0.545 1.896 1.00 0.00 C ATOM 984 CD2 LEU B 27 -15.688 -1.450 2.685 1.00 0.00 C ATOM 0 H LEU B 27 -13.871 -3.661 -0.085 1.00 0.00 H new ATOM 0 HA LEU B 27 -16.604 -3.060 0.460 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -14.274 -1.320 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -15.805 -0.725 0.210 1.00 0.00 H new ATOM 0 HG LEU B 27 -14.090 -2.585 1.849 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -13.130 -0.600 2.916 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -12.690 -0.698 1.194 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.954 0.436 1.727 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -15.291 -1.496 3.699 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -16.174 -0.487 2.529 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -16.415 -2.250 2.544 1.00 0.00 H new ATOM 996 N LYS B 28 -15.507 -2.678 -2.619 1.00 0.00 N ATOM 997 CA LYS B 28 -15.931 -2.496 -4.006 1.00 0.00 C ATOM 998 C LYS B 28 -17.169 -3.335 -4.328 1.00 0.00 C ATOM 999 O LYS B 28 -18.137 -2.833 -4.905 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.786 -2.857 -4.957 1.00 0.00 C ATOM 1001 CG LYS B 28 -15.075 -2.540 -6.417 1.00 0.00 C ATOM 1002 CD LYS B 28 -15.252 -1.046 -6.642 1.00 0.00 C ATOM 1003 CE LYS B 28 -15.539 -0.736 -8.101 1.00 0.00 C ATOM 1004 NZ LYS B 28 -15.732 0.719 -8.336 1.00 0.00 N ATOM 0 H LYS B 28 -14.514 -2.883 -2.510 1.00 0.00 H new ATOM 0 HA LYS B 28 -16.195 -1.447 -4.142 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.888 -2.321 -4.650 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.570 -3.921 -4.862 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -14.258 -2.908 -7.038 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -15.977 -3.065 -6.732 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -16.070 -0.677 -6.022 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.351 -0.520 -6.327 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -14.715 -1.096 -8.717 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -16.432 -1.275 -8.417 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -15.925 0.885 -9.344 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -16.535 1.059 -7.769 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -14.871 1.233 -8.059 1.00 0.00 H new ATOM 1018 N LYS B 29 -17.150 -4.602 -3.937 1.00 0.00 N ATOM 1019 CA LYS B 29 -18.260 -5.497 -4.213 1.00 0.00 C ATOM 1020 C LYS B 29 -19.437 -5.243 -3.272 1.00 0.00 C ATOM 1021 O LYS B 29 -20.577 -5.563 -3.600 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.808 -6.949 -4.117 1.00 0.00 C ATOM 1023 CG LYS B 29 -17.206 -7.321 -2.770 1.00 0.00 C ATOM 1024 CD LYS B 29 -16.779 -8.778 -2.725 1.00 0.00 C ATOM 1025 CE LYS B 29 -15.668 -9.071 -3.722 1.00 0.00 C ATOM 1026 NZ LYS B 29 -15.260 -10.498 -3.688 1.00 0.00 N ATOM 0 H LYS B 29 -16.377 -5.031 -3.428 1.00 0.00 H new ATOM 0 HA LYS B 29 -18.600 -5.298 -5.229 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -18.661 -7.598 -4.314 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -17.073 -7.143 -4.898 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.345 -6.684 -2.568 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.934 -7.131 -1.982 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -16.440 -9.027 -1.719 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.637 -9.415 -2.939 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -16.003 -8.813 -4.726 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -14.806 -8.441 -3.502 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -14.501 -10.659 -4.381 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -14.916 -10.738 -2.736 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -16.076 -11.098 -3.923 1.00 0.00 H new ATOM 1040 N LEU B 30 -19.160 -4.669 -2.107 1.00 0.00 N ATOM 1041 CA LEU B 30 -20.213 -4.327 -1.155 1.00 0.00 C ATOM 1042 C LEU B 30 -20.965 -3.082 -1.607 1.00 0.00 C ATOM 1043 O LEU B 30 -22.171 -2.964 -1.395 1.00 0.00 O ATOM 1044 CB LEU B 30 -19.638 -4.130 0.254 1.00 0.00 C ATOM 1045 CG LEU B 30 -19.717 -5.355 1.177 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -19.084 -6.578 0.532 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -19.049 -5.055 2.509 1.00 0.00 C ATOM 0 H LEU B 30 -18.218 -4.431 -1.798 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.917 -5.159 -1.119 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.593 -3.832 0.163 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -20.165 -3.303 0.730 1.00 0.00 H new ATOM 0 HG LEU B 30 -20.770 -5.576 1.350 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -19.157 -7.427 1.212 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -19.606 -6.811 -0.396 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -18.035 -6.374 0.317 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -19.112 -5.932 3.153 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -18.002 -4.802 2.342 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -19.553 -4.216 2.988 1.00 0.00 H new ATOM 1059 N VAL B 31 -20.254 -2.154 -2.241 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.889 -0.967 -2.803 1.00 0.00 C ATOM 1061 C VAL B 31 -21.625 -1.328 -4.091 1.00 0.00 C ATOM 1062 O VAL B 31 -22.639 -0.716 -4.435 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.866 0.164 -3.086 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -20.569 1.417 -3.583 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -19.051 0.477 -1.844 1.00 0.00 C ATOM 0 H VAL B 31 -19.244 -2.200 -2.378 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.597 -0.596 -2.062 1.00 0.00 H new ATOM 0 HB VAL B 31 -19.189 -0.185 -3.866 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -19.831 2.196 -3.775 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -21.106 1.192 -4.504 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -21.274 1.763 -2.827 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -18.340 1.273 -2.066 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.717 0.798 -1.043 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.510 -0.415 -1.530 1.00 0.00 H new ATOM 1075 N GLY B 32 -21.121 -2.346 -4.783 1.00 0.00 N ATOM 1076 CA GLY B 32 -21.730 -2.772 -6.026 1.00 0.00 C ATOM 1077 C GLY B 32 -22.933 -3.657 -5.789 1.00 0.00 C ATOM 1078 O GLY B 32 -24.005 -3.411 -6.344 1.00 0.00 O ATOM 0 H GLY B 32 -20.300 -2.883 -4.503 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -22.031 -1.897 -6.602 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -20.995 -3.310 -6.625 1.00 0.00 H new ATOM 1082 N GLU B 33 -22.745 -4.676 -4.953 1.00 0.00 N ATOM 1083 CA GLU B 33 -23.805 -5.610 -4.588 1.00 0.00 C ATOM 1084 C GLU B 33 -24.219 -6.453 -5.791 1.00 0.00 C ATOM 1085 O GLU B 33 -25.112 -6.029 -6.557 1.00 0.00 O ATOM 1086 CB GLU B 33 -25.006 -4.865 -3.995 1.00 0.00 C ATOM 1087 CG GLU B 33 -26.072 -5.776 -3.415 1.00 0.00 C ATOM 1088 CD GLU B 33 -27.174 -5.004 -2.716 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -28.141 -4.603 -3.395 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -27.068 -4.800 -1.489 1.00 0.00 O ATOM 1091 OXT GLU B 33 -23.631 -7.542 -5.974 1.00 0.00 O ATOM 0 H GLU B 33 -21.849 -4.877 -4.509 1.00 0.00 H new ATOM 0 HA GLU B 33 -23.419 -6.284 -3.823 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -24.653 -4.192 -3.214 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -25.455 -4.245 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -26.505 -6.379 -4.213 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -25.611 -6.466 -2.708 1.00 0.00 H new TER 1098 GLU B 33